@article { ISI:000227075600029, title = {1,3-Dipolar cycloaddition reaction of D-glucose-derived nitrone with allyl alcohol: synthesis of 2-hydroxy-1-deoxycastanospermine analogues}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {4}, year = {2005}, month = {FEB}, pages = {1356-1363}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The synthesis and evaluation of glycosidase inhibitory activity of polyhydroxylated indolizidine alkaloids namely 2-hydroxy-1-deoxycastanospermine 3a,b and 2-hydroxy-1-deoxy-8a-epi-castanospermine 3c,d is reported. The key step involves the intermolecular 1,3-dipolar cycloaddition of allyl alcohol to D-glucose-derived nitrone 4, followed by tosylation, that afforded four diastereomeric sugar-substituted isoxazolidines 5a-d with the desired regioselectivity. The one-pot conversion of 5a-d to pyrrolidines 8a-d by hydrogenolysis, removal of 1,2-acetonoide functionality, and hydrogenation afforded corresponding target molecules 3a-d.
}, issn = {0022-3263}, doi = {10.1021/jo048176x}, author = {Karanjule, Narayan S. and Markad, Shankar D. and Sharma, T. and Sabharwal, Sushma G. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article {42471, title = {1,4-Dipolar cycloaddition in organic synthesis: a facile route to isoquinoline fused heterocycles}, journal = {Arkivoc}, volume = {2005}, year = {2005}, month = {JAN}, pages = {178-188}, type = {Article}, abstract = {
The three component condensation reactions involving isoquinoline, dimethyl acetylenedicarboxylate and carbonyl dipolarophiles such as o- and p-benzoquinones and Nsubstituted isatins constitute a one-pot synthesis of a variety of [1,3]oxazino isoquinoline derivatives via 1,4-dipolar cycloaddition.
}, author = {Nair, Vijay and Sreekanth, Anakkalil R. and Abhilash, N. and Biju, Akkattu T. and Varma, Luxmi and Viji, Sreemathi and Mathew, Saumini} } @article { ISI:000231556400005, title = {2,5-dioxido-1,4-benzoquinonediimine (H2L2-), a hydrogen-bonding noninnocent bridging ligand related to aminated topaquinone: different oxidation state distributions in complexes [{(bpy)(2)Ru}(2)(mu-H2L)](n) (n=0,+,2+,3+,4+) and [{(acac)(2)Ru}(2)(mu-H2L)]}, journal = {Chemistry - a European Journal}, volume = {11}, number = {17}, year = {2005}, month = {AUG}, pages = {4901-4911}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
{The symmetrically dinuclear title compounds were isolated as diamagnetic [(bpy)(2)Ru(mu-H2L)Ru(bpy)(2)]- (ClO4)(2) (1-(ClO4)(2)) and as paramagnetic [(acac)(2)Ru(mu-H2L)Ru(acac)(2)] (2) complexes (bpy = 2,2{\textquoteright}-bipyridine; acac(-) -
}, keywords = {bridging ligands, Density functional calculations, EPR spectroscopy, N, O ligands, ruthenium}, issn = {0947-6539}, doi = {10.1002/chem.2005.00202}, author = {Kar, S. and Sarkar, B. and Ghumaan, Sandeep and Janardanan, D. and van Slageren, J. and Fiedler, Jan and Puranik, Vedavati G. and Sunoj, R. B. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000234202200037, title = {3-Aminopropyltriethoxysilyl functionalized Na-Al-MCM-41 solid base catalyst for selective preparation of 2-phenylpropionitrile from phenylacetonitrile}, journal = {Applied Catalysis A-General}, volume = {292}, year = {2005}, month = {SEP}, pages = {344-353}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Various solid base catalysts have been prepared by ion exchange of zeolites and Na-Al-MCM-41 and by organosilane grafting over mesoporous materials. Base catalysts thus synthesized were studied in the selective monomethylation of phenylacetonitrile (PAN) to 2-phenylpropionitrile (2-PPN) using dimethylcarbonate (DMC) as an alkylating agent in a Parr autoclave at a temperature ranging between 443 and 473 K and at autogenously developed pressure. NH2-Na-Al-MCM-41 (30) showed a high activity, and the optimum loading of 3-aminopropyltriethoxysilyl (3-APTES) was found to be 1.35 mmol g(-1), being consistent with the structural characterization. Co-condensation of 3-APTES, tetraethylorthosilicate (TEOS) and sodiumaluminate in the presence of surfactant provides a material with uniformly distributed basic sites responsible for high activity in the selective monomethylation of phenylacetonitrile. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {2-phenylpropionitrile, base catalysis, dimethylcarbonate, monomethylation, NH2-Na-Al-MCM-41, phenylacetonitrile}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.06.013}, author = {Venkatesan, C. and Chidambaram, M. and Singh, A. P.} } @article { ISI:000229464500150, title = {6(2,4-Dichlorophenoxy)dibenzo[d,f][1,3,2]dioxa-phosphepine-6-sulfide}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {61}, number = {6}, year = {2005}, month = {JUN}, pages = {O1646-O1648}, publisher = {BLACKWELL PUBLISHING}, address = {9600 GARSINGTON RD, OXFORD OX4 2DG, OXON, ENGLAND}, abstract = {
In the title compound, C18H11Cl2O3PS, the seven-membered phosphepine ring exhibits a distorted-boat conformation, with the phosphoryl sulfide group axial and the dichlorophenoxy group equatorial. Fusion of the phosphepine ring to the biphenyl system causes strain, as evidenced by both widening and compression of the endocyclic angles in the heterocyclic ring. The P=S bond length is 1.8939 (12) angstrom and the planar dichlorophenyl ring is oriented at an angle of 28.70 (6)degrees to the phosphepine ring.
}, issn = {1600-5368}, doi = {10.1107/S1600536805013991}, author = {Krishnaiah, M. and Babu, V. H. H. Surendra and Krishna, J. R. and Kumar, K. A. and Reddy, C. S. and Puranik, Vedavati G.} } @article { ISI:000230044900021, title = {[6+3] cycloaddition of fulvenes with 3-oxidopyrylium betaine: a novel methodology for the synthesis of fused cyclooctanoid natural products}, journal = {Tetrahedron Letters}, volume = {46}, number = {28}, year = {2005}, month = {JUL}, pages = {4785-4788}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Fulvenes undergo an easy [6+3] cycloaddition with 3-oxidopyrylium betaines leading to 5-8 fused oxabridged cyclooetanoids. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {cyclooctanoids, fulvenes, oxidopyrylium betaines, [6+3] cycloaddition}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.05.042}, author = {Radhakrishnan, K. V. and Krishnan, K. Syam and Bhadbhade, Mohan M. and Bhosekar, Gaurav V.} } @article { ISI:000226941900008, title = {Absence of food aversion learning in the polyphagous noctuid, spodoptera litura (F.) following intoxication by deleterious chemicals}, journal = {Journal of Insect Behavior}, volume = {18}, number = {1}, year = {2005}, month = {JAN}, pages = {105-114}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The objective of this study was to determine whether the presence of a deleterious chemical in a preferred host plant could alter the feeding preference of a polyphagous insect. The preference of the Asian armyworm, Spodoptera litura (F.) (Lepidoptera: Noctuidae) for castor, Ricinus communis (L.) (family: Euphorbiaceae) relative to cabbage, Brassica oleracea (L.) (family: Brassicaceae) was quantified by two separate two-way choice tests (without treatment and with treatment of the test chemicals used in the present study) with naive third instar larvae each time. This was followed, by continuous feeding (48 h) on the preferred host treated with the test chemicals and using naive third instar larvae for conditioning. Each treatment consisted of one of nine compounds, including seven naturally occurring allelochemicals (viz. (-)-alpha-pinene, (-)-beta-pinene, beta-myrcene, D-limonene, cineole, rutin, and ajwain oil) and two synthetic insecticides (viz. alphamethrin and malathion). Following this, a two-way choice test was repeated with the same batch of larvae without any test chemical. Larvae continued to maintain preference for castor despite exposure to the deleterious chemicals. Among the test chemicals, D-limonene and alphamethrin caused significant reduction in growth. Preference for castor was not overcome by exposure to novel deleterious chemicals, suggesting that aversion, though experienced is not learned.
}, keywords = {aversion learning, deleterious chemicals, polyphagy, preference, Spodoptera litura}, issn = {0892-7553}, doi = {10.1007/s10905-005-9350-z}, author = {Ghumare, S. S. and Mukherjee, Samindra N.} } @article {42568, title = {Activation of organic reactions by perchlorates}, journal = {Advances in Organic Synthesis}, volume = {1}, year = {2005}, month = {MAR}, pages = {215-232}, type = {Article}, abstract = {
Perchlorates have been frequently employed to promote a variety of synthetic transformations under ambient conditions. For example, the LiClO4-diethyl ether solvent medium has proven to be a powerful substitute for external high pressure for Diels-Alder reactions and other organic reactions. In this chapter are discussed several such organic transformations where perchlorates have played highly significant role in promoting their rates and yields.
}, author = {Deshpande, Suvarna S. and Kumar, Anil} } @article { ISI:000230713100019, title = {Alkylation of benzene with alpha-olefins over zirconia supported 12-silicotungstic acid}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {237}, number = {1-2}, year = {2005}, month = {AUG}, pages = {137-145}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Liquid phase alkylation of benzene to linear alkyl benzene (LAB) with alpha-olefins has been investigated with 12-silicotungstic acid supported on zirconia (STA/ZrO2) as the catalyst. Among the catalysts, 15 wt.\% STA/ZrO2 calcined at 750 degrees C was found to be most active than others in the alkylation reaction. The total amount of acid sites of different STA loaded catalysts were estimated by TPD of NH3 and 15 wt.\% STA/ZrO2 calcined at 750 degrees C was found to have the highest acidity and more active in the reaction. The optimization of reaction conditions of alkylation of benzene with 1-dodecene was performed with 15 wt.\% STA/ZrO2 calcined at 750 degrees C by varying catalyst concentration (1-5 wt.\% of reaction mixture); temperature, 373-423 K and benzene: 1-dodecene (1-dd) molar ratio, 5-15 in a Parr autoclave under N-2 pressure. Under the optimized reaction conditions, conversion of 1-dodecene (50.8\%) gave high selectivity to 2-phenyl dodecane (47.1\%) and the remaining 3-, 4-, 5- and 6-phenyldodecanes in 4 h. The reaction was found to be heterogeneously catalyzed and no contribution from homogeneous (leached) STA into the reaction medium. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {1-dodecene, 12-silicotungstic acid, Alkylation, Benzene, LAB, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.04.042}, author = {Sawant, D. P. and Halligudi, Shivappa B.} } @article { ISI:000233685400030, title = {Analysis of a gas-liquid-liquid-solid catalytic reaction: kinetics and modeling of a semibatch slurry reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {25}, year = {2005}, note = {Joint 5th International Symposium on Catalysis in Multiphase Reactors/4th International Symposium on Multifunctional Reactors, Portoroz-Portorose, SLOVENIA, JUN 15-18, 2005}, month = {DEC}, pages = {9586-9593}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Hydrogenation of aniline to cyclohexylamine was studied in a gas-liquid-liquid-solid tetraphase system using cyclohexane and water as two immiscible liquid phases and ruthenium on alumina (2\% Ru/Al2O3) as the catalyst. In addition to the higher catalytic activity with respect to the conventional three-phase system, the novel four-phase system was highly efficient in catalyst-product separation. Experimental data on concentration-time as well as hydrogen-consumption-time profiles were obtained to study the effect of concentration of aniline, catalyst loading, and the partial pressure of hydrogen. A detailed analysis of gas-liquid, liquid-liquid, liquid-solid, and intraparticle mass transfer was carried out using initial rate data to ensure the kinetic regime. On the basis of these data, several rate equations were evaluated to select a kinetic model. The kinetic parameters were estimated over a temperature range of 378-418 K by fitting the integral batch reactor data. A rate model considering adsorption of hydrogen on the catalyst surface followed by reaction with the liquid-phase components as the rate-limiting step was found to give the best fitting of the experimental concentration-time as well as the hydrogen-consumption-time data at different initial sets of reaction conditions. The activation energies, heat of adsorption, and entropy of adsorption were also evaluated.
}, issn = {0888-5885}, doi = {10.1021/ie0502739}, author = {Roy, D. and Chaudhari, Raghunath V.} } @article {42824, title = {Analysis of the use of genomic DNA as a universal reference in two channel DNA microarrays}, journal = {BMC Genomics}, volume = {6}, year = {2005}, month = {MAY}, pages = {Article Number. 66}, type = {Article}, abstract = {
Background: DNA microarray is an invaluable tool for gene expression explorations. In the two-dye microarray, fluorescence intensities of two samples, each labeled with a different dye, are compared after hybridization. To compare a large number of samples, the {\textquoteright}reference design{\textquoteright} is widely used, in which all RNA samples are hybridized to a common reference. Genomic DNA is an attractive candidate for use as a universal reference, especially for bacterial systems with a low percentage of non-coding sequences. However, genomic DNA, comprising of both the sense and anti-sense strands, is unlike the single stranded cDNA usually used in microarray hybridizations. The presence of the antisense strand in the {\textquoteright}reference{\textquoteright} leads to reactions between complementary labeled strands in solution and may cause the assay result to deviate from true values. Results: We have developed a mathematical model to predict the validity of using genomic DNA as a reference in the microarray assay. The model predicts that the assay can accurately estimate relative concentrations for a wide range of initial cDNA concentrations. Experimental results of DNA microarray assay using genomic DNA as a reference correlated well to those obtained by a direct hybridization between two cDNA samples. The model predicts that the initial concentrations of labeled genomic DNA strands and immobilized strands, and the hybridization time do not significantly affect the assay performance. At low values of the rate constant for hybridization between immobilized and mobile strands, the assay performance varies with the hybridization time and initial cDNA concentrations. For the case where a microarray with immobilized single strands is used, results from hybridizations using genomic DNA as a reference will correspond to true ratios under all conditions. Conclusion: Simulation using the mathematical model, and the experimental study presented here show the potential utility of microarray assays using genomic DNA as a reference. We conclude that the use of genomic DNA as reference DNA should greatly facilitate comparative transcriptome analysis.
}, doi = {10.1186/1471-2164-6-66}, author = {Gadgil, Mugdha and Lian, W. and Gadgil, Chetan J. and Kapur, V. and Wu, WS} } @article { ISI:000230091400031, title = {Analytically continued Fock space multireference coupled-cluster theory: application to the (2)Pi(g) shape resonance in e-N-2 scattering}, journal = {Journal of Chemical Physics}, volume = {122}, number = {23}, year = {2005}, month = {JUN}, pages = {234320}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
The technique of Fock space multireference coupled-cluster (FSMRCC) is applied for the first time to the correlated calculation of the energy and width of a shape resonance in an electron-molecule collision. The procedure is based upon combining a complex absorbing potential with FSMRCC theory. Accurate resonance parameters are obtained by solving a small non-Hermitian eigenvalue problem. The potential-energy curve of the (2)Pi(g) state of N-2(-) is calculated using the FSMRCC and multireference configuration-interaction (MRCI) level of theories. Comparison with the single-determinant Hartree-Fock theory indicates that correlation effects are important in determining the behavior of the resonance state. (C) 2005 American Institute of Physics.
}, issn = {0021-9606}, doi = {10.1063/1.1938887}, author = {Sajeev, Y and Santra, R and Pal, S} } @article { ISI:000230123500084, title = {Aromatic polyimides from m-phenylene diamines containing pendant groups: synthesis and characterization}, journal = {Journal Applied Polymer Science}, volume = {97}, number = {3}, year = {2005}, month = {AUG}, pages = {1377-1384}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Two diamine monomers, 4-[4-(1-methyl-1-phenyl)phenoxy]-1,3-(diamino benzene and 4-{-[(4-methylphenyl)sulfonyl]phenoxy}-1,3-diamino benzene, were synthesized, and both diamines were polycondensed with three commercial dianhydrides to obtain aromatic polyimides containing pendant groups. The polyimides were characterized by solubility tests, viscosity measurements, IR, H-1-NMR, and C-13- NMR spectroscopy, x-ray diffraction studies, and thermogravimetric analysis. The polymides had inherent viscosities of 0.33-0.58 dL/g in m-cresol at 30 +/- 0.1 degrees C. All the polyimides were amorphous and were soluble in solvents such as NNdimethylacetamide, N-methyl-2-pyrrolidone, N,N-dimethylformamide, and in-cresol. Thermogravimetric analysis of the polymides indicated no weight loss below 410 degrees C under a nitrogen atmosphere. (c) 2005 Wiley Periodicals, Inc.
}, keywords = {heteroatom-containing polymers, High performance polymers, polyimides}, issn = {0021-8995}, doi = {10.1002/app.21859}, author = {Pal, R. R. and Patil, P. S. and Dere, R. T. and Salunkhe, M. M. and Maldar, Noormahamad N. and Wadgaonkar, P. P.} } @conference { ISI:000234856700033, title = {Arrhythmia classification using local Holder exponents and support vector machine}, booktitle = {1st International Conference on Pattern Recognition and Machine Intelligence}, series = {LECTURE NOTES IN COMPUTER SCIENCE}, volume = {3776}, year = {2005}, note = {1st International Conference on Pattern Recognition and Machine Intelligence, Statist Inst Kolkata, Kolkata, INDIA, DEC 20-22, 2005}, month = {DEC}, pages = {242-247}, publisher = {Springer-Verlag Berlin, Heidelberger Platz 3, D-14197 Berlin, Germany}, organization = {Springer-Verlag Berlin, Heidelberger Platz 3, D-14197 Berlin, Germany}, address = { Statist Inst. Kolkata, India}, abstract = {
We propose a novel hybrid Holder-SVM detection algorithm for arrhythmia classification. The Holder exponents are computed efficiently using the wavelet transform modulus maxima (WTMM) method. The hybrid system performance is evaluated using the benchmark MIT-BIH arrhythmia database. The implemented model classifies 160 of Normal sinus rhythm, 25 of Ventricular bigeminy, 155 of Atrial fibrillation and 146 of Nodal (A-V junctional) rhythm with 96.94\% accuracy. The distinct scaling properties of different types of heart rhythms may be of clinical importance.
}, isbn = {3-540-30506-8}, issn = {0302-9743}, author = {Joshi, Aniruddha and Rajshekhar and Chandran, S. and Phadke, S. and Jayaraman, Valadi K. and Kulkarni, B. D.}, editor = {Pal, S. K. and Bandyopadhyay, Sanjoy and Biswas, S.} } @article { ISI:000232141000038, title = {Assessing the role of FecB mutation in productivity of Indian sheep}, journal = {Current Science}, volume = {89}, number = {5}, year = {2005}, month = {SEP}, pages = {887-890}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {
DNA samples from four Indian sheep breeds, viz. Garole, Deccani, Bannur and Madras Red were screened by PCR-RFLP to determine the presence of FecB mutation in these breeds. The Garole was the only breed, which carried the FecB mutation. The FecB mutation was introgressed from Garole sheep into Deccani sheep and Bannur sheep, and the performance of the crossbred sheep is being monitored in subsequent generations. Approximately half of the first backcross ewes (progeny of FecB heterozygote F1 rams) was found to carry one copy of FecB mutation, as expected. The FecB PCR-RFLP test was found to be fast, accurate and useful as a tool for making breeding decisions.
}, keywords = {FecB (Booroola) gene, Garole sheep, PCR-RFLP test, prolificacy}, issn = {0011-3891}, author = {Pardeshi, V. C. and Sainani, Mohini N. and Maddox, J. F. and Ghalsasi, P. M. and Nimbkar, C. and Gupta, V. S.} } @article { ISI:000233784100018, title = {Asymmetric aminohydroxylation route to (+)-L-733,060}, journal = {Tetrahedron-Asymmetry}, volume = {16}, number = {21}, year = {2005}, month = {OCT}, pages = {3579-3583}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An enantioselective synthesis of (+)-L-733,060 starting from cinnamic acid using Sharpless asymmetric aminohydroxylation and Wittig reactions as the key steps is described. (c) 2005 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2005.09.010}, author = {Kandula, Subba Rao V. and Kumar, Pradeep} } @article { ISI:000228575900005, title = {Asymmetric dihydroxylation route to (R)-(-)-octopamine, (R)-(-)-tembamide and (R)-(-)-aegeline}, journal = {Arkivoc}, number = {3}, year = {2005}, month = {JAN}, pages = {36-43}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
A simple and efficient asymmetric synthesis of (R)-(-)-octopamine 1, (R)-(-)-tembamide 2 and (R)-(-)-aegeline 3 is described for the first time employing the Sharpless asymmetric dihydroxylation (AD) as the source of chirality. (C) 2004 Elsevier Science Ltd. All rights reserved.
}, keywords = {aegeline, Asymmetric synthesis, Dihydroxylation, octopamine, tembamide}, author = {Sadyandy, R. and Fernandes, R. A. and Kumar, P.} } @article { ISI:000232860200017, title = {Asymmetric synthesis of (-)-alpha-conhydrine}, journal = {Tetrahedron-Asymmetry}, volume = {16}, number = {19}, year = {2005}, month = {OCT}, pages = {3268-3274}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The enantioselective synthesis of (-)-alpha-conhydrine has been achieved by two different synthetic routes. The key steps include Sharpless asymmetric dihydroxylation, regioselective opening of a cyclic sulfate and Wittig olefination. (c) 2005 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2005.08.045}, author = {Kandula, Subba Rao V. and Kumar, Pradeep} } @article { ISI:000227581000010, title = {Asymmetric synthesis of aryloxypropanolamines via OsO4-catalyzed asymmetric dihydroxylation}, journal = {Tetrahedron}, volume = {61}, number = {11}, year = {2005}, month = {MAR}, pages = {2831-2838}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple and effective procedure for the enantioselective synthesis of several beta-adrenergic blocking agents incorporating the first asymmetric synthesis of celiprolol, is described. The key steps are (i) sharpless asymmetric dihydroxylation of aryl allyl ethers to introduce chirality into the molecules and (ii) conversion of cyclic sulfates into the corresponding epoxides using a three-step procedure. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {antihypertensive, asymmetric dihydroxylation, cyclic sulfates, epoxides}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.074}, author = {Sayyed, I. A. and Thakur, V. V. and Nikalje, M. D. and Dewkar, Gajanan and Kotkar, S. P. and Sudalai, A.} } @article { ISI:000226508600051, title = {Asymmetric synthesis of both the enantiomers of trans-3-hydroxypipecolic acid}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {1}, year = {2005}, month = {JAN}, pages = {360-363}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Both the enantiomers of trans -3-hydroxypipecolic acid have been synthesized employing the Sharpless asymmetric di-hydroxylation and epoxidation as the key steps starting from a commercially available starting material 1,4-butanediol.
}, issn = {0022-3263}, doi = {10.1021/jo0485381}, author = {Kumar, Pradeep and Bodas, Mandar S.} } @article { ISI:000228575900016, title = {Asymmetric total synthesis of eicosanoid}, journal = {Arkivoc}, number = {3}, year = {2005}, month = {JAN}, pages = {144-155}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
An asymmetric total synthesis of eicosanoid 4 starting from 2,2- dimethyl-( R)- 1,3- dioxolane-4- carbaldehyde is described. The key steps involved for the synthesis include modified Simmons-Smith cyclopropanation, stereoselective reduction, ring-closing metathesis (RCM) and Nozaki- Hiyama- Kishi coupling reaction.
}, keywords = {cyclopropanation, eicosanoid, lipoxygenase inhibitors, Ring-closing metathesis, Stereoselective}, author = {Mohapatra, Debendra K. and Yellol, G. S.} } @article { ISI:000232981200014, title = {Aziridine carboxylate from D-glucose: synthesis of polyhydroxylated piperidine, pyrrolidine alkaloids and study of their glycosidase inhibition}, journal = {Organic \& Biomolecular Chemistry}, volume = {3}, number = {20}, year = {2005}, month = {OCT}, pages = {3720-3726}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The D-glucose derived aziridine carboxylate 5 was obtained from (E)-ethyl-6-bromo-1,2-O-isopropylidene-3-O-benzyl-5-deoxy-alpha-D-xylo-5 -eno-heptofuranuronate 4 through conjugate addition of benzylamine and in situ intramolecular nucleophilic expulsion of bromine. The regioselective aziridine ring-opening, using water as a nucleophile, resulted in the alpha-hydroxy-beta-aminoester 6, which was exploited in the synthesis of six and five membered azasugars 1b/1c and 2b/2c, respectively The glycosidase inhibitory activity of the title compounds was evaluated.
}, issn = {1477-0520}, doi = {10.1039/b509216g}, author = {Dhavale, Dilip D. and Kumar, K. S. A. and Chaudhari, Vinod D. and Sharma, T. and Sabharwal, Sushma G. and PrakashaReddy, J.} } @article { ISI:000226726900020, title = {Backbone-extended pyrrolidine peptide nucleic acids (bepPNA): design, synthesis and DNA/RNA binding studies}, journal = {Chemical Communications}, number = {4}, year = {2005}, month = {JAN}, pages = {495-497}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
One-carbon extended conformationally constrained pyrrolidine PNA monomer (bepPNA) has been synthesized, incorporated into PNA sequences at predefined positions, and showed selective RNA binding properties.
}, issn = {1359-7345}, doi = {10.1039/B413542C}, author = {Govindaraju, T and Kumar, VA} } @article { ISI:000230220900008, title = {Bacterial aerobic synthesis of nanocrystalline magnetite}, journal = {Journal of the American Chemical Society}, volume = {127}, number = {26}, year = {2005}, month = {JUL}, pages = {9326-9327}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0002-7863}, doi = {10.1021/ja0508469}, author = {Bharde, Atul A. and Wani, A. and Shouche, Y. and Joy, Pattayil Alias and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000227933800013, title = {Benzoyl transfer reactivities of racemic 2,4-Di-O-acyl-myo-inosityl 1,3,5-orthoesters in the solid state: molecular packing and intermolecular interactions correlate with the ease of the reaction}, journal = {Chemistry-A European Journal}, volume = {11}, number = {7}, year = {2005}, month = {MAR}, pages = {2103-2110}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Racemic 2,4-di-O-acyl-myoinosityl 1,3,5-orthoesters undergo transesterification catalyzed by sodium carbonate with varying ease of reaction in the solid state; reactions in solution and melt do not show such varied differences. An interesting crystal of a 1:1 molecular complex of highly reactive racemic 2,4-di-O-benzoyl-myo-inosityl 1,3,5-orthoformate and its orthoacetate analogue exhibited better reactivity than the latter component alone. Single-crystal X-ray structures of the reactants have been correlated with the observed differences in the acyl-transfer efficiencies in the solid state. Although each of the derivatives helically self-assembles around the crystallographic 2(1) axis linked through O-(HO)-O-... hydrogen bonding, the pre-organization of the reactive groups (C=O [El] and OH [Nu]), C-(HO)-O-... and the C=H(...)pi interactions are significantly more favourable for the reactive derivatives than the less reactive ones. Bond-length distributions also showed differences; the O-C bond of the axial benzoyl group, which gets cleaved during the reaction, is longer (1.345-1.361 angstrom) relative to the chemically equivalent O-C bond of the equatorial benzoyl group (1.316-1.344 angstrom) in the reactive derivatives. These bond-length differences are not significant in the less reactive derivatives. The overall molecular organization is different too; the strikingly discrete helices, which may be viewed as {\textquoteleft}{\textquoteleft}reaction tunnels{\textquoteright}{\textquoteright} and are held by interhelical interactions, are clearly evident in the reactive derivatives in comparison with the less reactive ones.
}, keywords = {hydrogen bonds, Inositol, solid-state reactions, structure elucidation, transesterification}, issn = {0947-6539}, doi = {10.1002/chem.200400851}, author = {Sarmah, M. P. and Gonnade, Rajesh G. and Shashidhar, M. S. and Bhadbhade, Mohan M.} } @article { ISI:000232046200030, title = {Benzoylation of polyphenylene oxide: characterization and gas permeability investigations}, journal = {European Polymer Journal}, volume = {41}, number = {10}, year = {2005}, month = {OCT}, pages = {2461-2471}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Benzoylation of polyphenylene oxide (PPO) was carried out with aromatic acid chlorides bearing specific groups at para-position (H methyl, Br, Cl and nitro), which differ in their polarity and bulk. The reaction conditions were optimized individually to get the high degree of substitution. These materials were characterized for thermal as well as other physical properties that are known to affect the gas permeation. In a series investigated, the nitrobenzoyl substitution on PPO resulted in the highest increase in glass transition temperature and the lowest thermal stability. An estimation of the packing density parameters-fractional free volume by density measurement and the d-spacing by X-ray diffraction analysis showed an increase in the packing density. The gas permeability was found to decrease in all the cases of benzoylation. The helium and oxygen based selectivities were increased, while CO2 based selectivities were decreased. The unusual trend observed in the gas permeation properties is explained on the basis of nature of substituent and the degree of substitution. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {benzoylation, Gas permeability, polyphenylene oxide, selectivity}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2005.03.026}, author = {Bhole, Yogesh S. and Kharul, Ulhas K. and Somani, S. P. and Kumbharkar, S. C.} } @article { ISI:000228699400021, title = {Benzylation of benzene and other aromatics by benzyl chloride over mesoporous AlSBA-15 catalysts}, journal = {Microporous and Mesoporous Materials}, volume = {80}, number = {1-3}, year = {2005}, month = {MAY}, pages = {195-203}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Aluminum-containing mesoporous molecular sieves AISBA-15 with different n(Si)/n(Al), ratios and AIMCM-41 have been synthesized hydrothermally and characterized in detail by physicochemical methods, viz. XRD, N(2) adsorption and (27)Al NMR spectroscopy. The low angle XRD and N2 adsorption measurements reveal that the structural order of SBA-15 was retained after the incorporation of Al. The increase of the unit cell parameter with increasing aluminum content and (27)Al MAS NMR spectroscopy confirm the incorporation of aluminum in the framework. Benzylation of benzene and substituted benzenes reaction employing benzyl chloride as the alkylating agent over AISBA-15 and AIMCM-41 have been investigated. The influence of various reaction parameters such as reaction temperature, reactant feed ratio and catalyst amount affecting the activity and selectivity of AISBA-15, have been studied. Among the mesoporous catalysts studied, AISBA-15(45), where the number in parentheses indicates the molar nsilnA, ratio, shows both high conversion and high selectivity for the benzylation of benzene. The activity of this catalyst for the benzylation of different aromatic compounds is in the following order: benzene \> toluene \> p-xylene \> mesitylene \> anisole. Kinetics of the benzene benzylation over different catalysts have also been investigated. (c) 2005 Elsevier Inc. All rights reserved.
}, keywords = {Alkylation, AlSBA-15, Benzylation, SBA-15}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2004.12.012}, author = {Vinu, A. and Sawant, D. P. and Ariga, Katsuhiko and Hartmann, Martin and Halligudi, Shivappa B.} } @article { ISI:000233129500064, title = {Biocompatibility of gold nanoparticles and their endocytotic fate inside the cellular compartment: a microscopic overview}, journal = {Langmuir}, volume = {21}, number = {23}, year = {2005}, month = {NOV}, pages = {10644-10654}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Macrophages are one of the principal immune effector cells that play essential roles as secretory, phagocytic, and antigen-presenting cells in the immune system. In this study, we address the issue of cytotoxicity and immunogenic effects of gold nanoparticles on RAW264.7 macrophage cells. The cytotoxicity of gold nanoparticles has been correlated with a detailed study of their endocytotic uptake using various microscopy tools such as atomic force microscopy (AFM), confocal-laser-scanning microscopy (CFLSM), and transmission electron microscopy (TEM). Our findings suggest that Au(0) nanoparticles are not cytotoxic, reduce the production of reactive oxygen and nitrite species, and do not elicit secretion of proinflammatory cytokines TNF-alpha and IL1-, making them suitable candidates for nanomedicine. AFM measurements suggest that gold nanoparticles are internalized inside the cell via a mechanism involving pinocytosis, while CFLSM and TEM studies indicate their internalization in lysosomal bodies arranged in perinuclear fashion. Our studies thus underline the noncytotoxic, nonimmunogenic, and biocompatible properties ofgold nanoparticles with the potential for application in nanoimmunology, nanomedicine, and nanobiotechnology.
}, issn = {0743-7463}, doi = {10.1021/la0513712}, author = {Shukla, Ravi and Bansal, Vipul and Chaudhary, Manakshi and Basu, Atanu and Bhonde, Ramesh R. and Sastry, Murali} } @article { ISI:000228418700023, title = {Bioleaching of sand by the fungus fusarium oxysporum as a means of producing extracellular silica nanoparticles}, journal = {Advanced Materials}, volume = {17}, number = {7}, year = {2005}, month = {APR}, pages = {889+}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
A plant pathogenic fungus, Fusarium oxysporum, can be used as a biological model system for the extracellular bioleaching of hollow spherical silica nanoparticles (see Figure) from sand. The room-temperature synthesis of oxide nanomaterials using microorganisms starting from potential waste materials could lead to eco-friendly and economically viable methods for the large-scale synthesis of nanomaterials.
}, issn = {0935-9648}, doi = {10.1002/adma.200401176}, author = {Bansal, Vipul and Sanyal, A. and Rautaray, D. and Ahmad, Absar and Sastry, Murali} } @article { ISI:000227414900003, title = {Biological synthesis of stable vaterite crystals by the reaction of calcium ions with germinating chickpea seeds}, journal = {Crystal Growth \& Design}, volume = {5}, number = {2}, year = {2005}, month = {MAR}, pages = {399-402}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The total biological synthesis of CaCO3 crystals of the metastable vaterite polymorph at room temperature by simple protein-mediated reaction of aqueous Ca2+ ions with the CO2 generated during the root growth from germinating chickpea (Cicer arietinum) seeds is described. Highly stable vaterite crystals of spherical morphology are obtained, indicating that the proteins secreted from the roots during growth play a crucial role in stabilizing and directing the crystal growth.
}, issn = {1528-7483}, doi = {10.1021/cg0341858}, author = {Rautaray, D. and Sanyal, A. and Bharde, Atul A. and Ahmad, Absar and Sastry, M.} } @article { ISI:000232129900010, title = {Biosynthesis of gold and silver nanoparticles using emblica officinalis fruit extract, their phase transfer and transmetallation in an organic solution}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {5}, number = {10}, year = {2005}, month = {OCT}, pages = {1665-1671}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
The design, synthesis and characterization of biologically synthesized nanomaterials have become an area of significant interest. In this paper, we report the extracellular synthesis of gold and silver nanoparticles using Emblica Officinalis (amla, Indian Gooseberry) fruit extract as the reducing agent to synthesize Ag and Au nanoparticles, their subsequent phase transfer to an organic solution and the transmetallation reaction of hydrophobized silver nanoparticles with hydrophobized chloroaurate ions. On treating aqueous silver sulfate and chloroauric acid solutions with Emblica Officinalis fruit extract, rapid reduction of the silver and chloroaurate ions is observed leading to the formation of highly stable silver and gold nanoparticles in solution. Transmission Electron Microscopy analysis of the silver and gold nanoparticles indicated that they ranged in size from 10 to 20 nm and 15 to 25 nm respectively. Ag and Au nanoparticles thus synthesized were then phase transferred into an organic solution using a cationic surfactant octadecylamine. Transmetallation reaction between hydrophobized silver nanoparticles and hydrophobized chloroaurate ions in chloroform resulted in the formation of gold nanoparticles.
}, keywords = {Biosynthesis, Nanomaterials, Phase transfer, Transmetallation}, issn = {1533-4880}, doi = {10.1166/jnn.2005.184}, author = {Ankamwar, Balaprasad and Damle, C. and Ahmad, Absar and Sastry, M.} } @article { ISI:000230685200006, title = {Biphenyl hydrogenation over supported transition metal catalysts under supercritical carbon dioxide solvent}, journal = {Applied Catalysis A - General}, volume = {288}, number = {1-2}, year = {2005}, month = {JUL}, pages = {43-47}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Catalytic hydrogenation of biphenyl to bicyclohexyl, an organic hydrogen storage medium, was examined over supported transition metal catalysts in supercritical carbon dioxide solvent. The yield of bicyclohexyl was almost 100\% over the charcoal-supported rhodium (Rh/C) and ruthenium (Ru/C) catalysts at the temperature of 323 K, which was much lower than that required for biphenyl hydrogenation in organic solvents (573 K). The initial activity was higher over the Rh/C catalyst, while the initial selectivity to bicyclohexyl was higher over the Ru/C catalyst. The conversion of biphenyl increased with increase in hydrogen and carbon dioxide pressures, while the selectivity to bicyclohexyl was independent of hydrogen and carbon dioxide pressures over both catalysts. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {bicyclohexyl, biphenyl, charcoal-supported rhodium catalyst, charcoal-supported ruthenium catalyst, Hydrogen storage, Hydrogenation, Supercritical carbon dioxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.04.021}, author = {Hiyoshi, Norihito and Rode, C. V. and Sato, O. and Shirai, M.} } @article { ISI:000230389700019, title = {Bis(2-[alpha-hydroxyethyl]benzimidazolato)copper(II) anchored onto chloromethylated polystyrene for the biomimetic oxidative coupling of 2-aminophenol to 2-aminophenoxazine-3-one}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {236}, number = {1-2}, year = {2005}, month = {JUL}, pages = {132-138}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
2-(alpha-Hydroxyethyl)benzimidazole (Hhebmz) has been covalently anchored to chloromethylated polystyrene cross-linked with 5\% divinylbenzene. This polymer-anchored chelating resin reacts with cupric acetate in presence of Hhebmz to give polymer-anchored copper(II) complex PS-[Cu(hebmz)(2)]. Elemental analyses, FT-IR, electronic, scanning electron micrographs (SEM) and TGA-DTA pattern have been used to characterize the complex. Oxidative coupling of 2-aminophenol (OAP) to 2-aminophenoxazine-3-one (APX) catalyzed by PS-[Cu(hebmz)(2)] in presence of air at 70 degrees C in DMF gave 62\% substrate conversion over a period of 8 h. Kinetics of the above reaction indicated that the rate of oxidative coupling of OAP has a first order dependence with respect to substrate, catalyst and air pressure (dissolved O-2) concentrations in the range of conditions evaluated. Based on these observations, a plausible mechanism for the above reaction has been proposed. From, the study on the effect of temperature on the rates of oxidative coupling, an activation energy 34.2 kcal/degree mole was evaluated from Arrhenius plot of -ln rate versus 1/T. Enthalpy, entropy and free energy were calculated using standard thermodynamic equations for the above reaction. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {2-aminophenol, 2-aminophenoxazine-3-one, bis(2-[alpha-hydroxyethyl]benzimidazolato)copper(II), chloromethylated polystyrene, oxidative coupling}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.02.034}, author = {Maurya, Mannar R. and Sikarwar, S. and Joseph, Trissa and Halligudi, Shivappa B.} } @article { ISI:000229488700014, title = {Bronsted acidic ionic liquids: a green, efficient and reusable catalyst system and reaction medium for fischer esterification}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {234}, number = {1-2}, year = {2005}, month = {JUN}, pages = {107-110}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Bronsted acidic ionic liquid containing nitrogen-based organic cations 1-methylimidazole and 1-butyl-3-methylimidazolium and inorganic anions of the type BF4-, PF6- and PTSA(-) has been synthesized in good yields and used as a catalysts and reaction medium for Fischer esterification of alcohols with acids. These were characterized using FTIR and NMR spectroscopy. Ionic liquids as catalyst afforded good alcohol conversion and excellent ester selectivity. Fischer esterification of acetic acid with benzyl alcohol with different Bronsted acidic ionic liquids was carried out. Maximum substrate conversion 100 \% and product selectivity 100 \% was observed on using [BMIM](+)PTSAas catalyst over a period of 2 h. The ester was easily separated from the reaction mixture and the ionic liquid was reused four times after removing water. No significant loss in catalytic activity was observed on recycling. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {acids, alcohol and reaction medium, Fischer esterification, Ionic liquid}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.03.005}, author = {Joseph, Trissa and Sahoo, S. and Halligudi, Shivappa B.} } @article { ISI:000233736400023, title = {Calcite growth in Cissus quadrangularis plant extract, a traditional Indian bone-healing aid}, journal = {Current Science}, volume = {89}, number = {10}, year = {2005}, month = {NOV}, pages = {1742-1745}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {
Cissus quadrangularis, a plant that has been customarily used in the Indian subcontinent to hasten the process of healing in bone fractures, has been studied and exploited to synthesize calcite crystals. The plant extract serves as a rich source of calcium ions, which when reacted with CO2, leads to the formation of calcite crystals of highly irregular morphology indicating that bioorganic molecules present in the extract modulate the crystal morphology.
}, keywords = {bone fracture, calcite crystals, Cissus quadrangularis, traditional healing}, issn = {0011-3891}, author = {Sanyal, A. and Ahmad, Absar and Sastry, M.} } @article { ISI:000232166800055, title = {Carbohydrate-based approach for the total synthesis of 1,3-polyol/alpha-pyrone antifungal natural products}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {20}, year = {2005}, month = {SEP}, pages = {8216-8219}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An elimination and stereoselective hydrogenation of alpha-D-glucoheptonic-gamma-lactone derivative has been applied to prepare a differentially protected anti,anti-1,3,5-triol system, the utility of which has been extended for the total synthesis of anti-fungal 1,3-polyol/alpha-pyrone natural products.
}, issn = {0022-3263}, doi = {10.1021/jo050972v}, author = {Ramana, Chepuri V. and Srinivas, B. and Puranik, Vedavati G. and Gurjar, M. K.} } @article { ISI:000229484600029, title = {Carbohydrate-based approach for the total synthesis of strictifolione}, journal = {Tetrahedron Letters}, volume = {46}, number = {23}, year = {2005}, month = {JUN}, pages = {4073-4075}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A chiral pool approach starting with D-glucose, using the Yamaguchi protocol and a Z-selective HWE reaction followed by lactonization, has been applied to execute the total synthesis of strictifolione. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {D-Glucose, double elimination, Horner-Wadsworth-Emmons reaction, lactonization, strictifolione, Yamaguchi protocol}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.04.031}, author = {Ramana, C. V. and Raghupathi, N. and Gurjar, M. K. and Chorghade, Mukund S.} } @article { ISI:000228226800025, title = {Carbon-free dry reforming of methane to syngas over NdCoO3 perovskite-type mixed metal oxide catalyst}, journal = {Catalysis Letters}, volume = {100}, number = {3-4}, year = {2005}, month = {APR}, pages = {271-276}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
CoNdOx (Co/Nd = 1) is a highly promising catalyst for the carbon-free CO2 reforming of methane. Influence of the Co/Nd ratio on the catalyst performance in the CO2 reforming and also on the crystalline phases and reduction by temperature programmed reduction (TPR) of the CoNdOx catalyst has also been investigated. The CoNdOx (CoNd = 1.0) catalyst consisted of mainly NdCoO3 perovskite- type mixed metal oxide and it showed not only a high resistance to carbon formation at different process conditions ( viz. temperature = 750 - 900 degrees C and gas hourly space velocity (GHSV) = 10000 - 50000 cm(3) g(-1) h(-1)) but also high activity and selectivity in the CO2 reforming process. The high resistance to carbon formation for this catalyst is attributed mostly to strong metal (Co degrees) - support (Nd2O3) interactions.
}, keywords = {CO2 reforming of methane to syngas, CoNdOx catalyst, NdCoO3 perovskite, resistance to carbon formation in CO2 reforming}, issn = {1011-372X}, doi = {10.1007/s10562-004-3467-0}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Mamman, Ajit Singh and Joshi, Upendra A.} } @article { ISI:000233432200006, title = {Carbonylation of alkynes, alkenes and alcohols using metal complex catalysts}, journal = {Catalysis Surveys from Asia}, volume = {9}, number = {3}, year = {2005}, month = {SEP}, pages = {193-205}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Carbonylation of olefins, alcohols and halides using homogeneous as well as heterogeneous catalysts has been discussed. Highlights of contributions on the activity, selectivity and stability of catalysts for carbonylation reactions are discussed. Kinetics and mechanism including characterization of the intermediate catalytic species has also been reviewed. The performance of anchored Pd complexes on mesoporous supports (MCM-41 and MCM-48), water soluble Pd complexes and supported Pd catalysts in carbonylation of aryl alcohols and olefins has been discussed in the context of catalyst-product separation. Some aspects of kinetic modelling and reaction engineering of these multiphase catalytic reactions have also been reviewed.
}, keywords = {Carbonylation, catalysis, Heterogenization, homogeneous, Palladium}, issn = {1571-1013}, doi = {10.1007/s10563-005-7556-x}, author = {Sarkar, B. R. and Chaudhari, Raghunath V.} } @article { ISI:000227421800005, title = {Cataloguing Indian biota - Response}, journal = {Current Science}, volume = {88}, number = {4}, year = {2005}, month = {FEB}, pages = {532-533}, publisher = {CURRENT SCIENCE ASSN}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Chavan, V. and Watve, A. V. and Rane, N. S. and Krishnan, S.} } @article { ISI:000236923400014, title = {Catalytic transesterification of beta-ketoesters with zeolite H-FER under solvent free conditions}, journal = {Arkivoc}, volume = {13}, number = {13}, year = {2005}, month = {MAY}, pages = {162-168}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
Zeolite H-FER catalyzes the transesterification of beta-ketoesters with variety of alcohols under solvent-less condition in excellent yields. The catalyst can be reused without any loss of activity.
}, keywords = {ferrierite, transesterification, zeolite}, issn = {1424-6376}, author = {Chavan, Subhash P. and Pasupathy, K. and Shengule, S. and Shinde, V. and Anand, R.} } @article { ISI:000230297800031, title = {Catalyzing Henry reactions in chloroaluminate ionic liquids}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {235}, number = {1-2}, year = {2005}, month = {JUL}, pages = {244-248}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Henry reactions can be accelerated in chloroaluminate room temperature ionic liquids. The choloroaluminates with higher compositions of organic species of the chloroaluminates prove to be more efficient rate promoters than the ones with lower organic species in catalyzing Henry reactions. involving both aliphatic and aromatic carbonyl compounds. The ionic liquids can be recycled five times to offer good yields. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {chloroaluminates, Henry reactions, ionic liquids, Recycling}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.04.010}, author = {Kumar, Anil and Pawar, Sanjay S.} } @article { ISI:000232801900001, title = {Characterization of barium titanate: BaTiO3 (BT) ceramics prepared from sol-gel derived BT powders}, journal = {Journal of Electroceramics}, volume = {15}, number = {2}, year = {2005}, month = {NOV}, pages = {103-108}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Sol-gel synthesis was attempted at room temperature by adding drop wise a clear solution (made by reacting BaCO3 with glacial acetic acid) to an equi-molar solution of titanium tetrabutoxide in isopropanol (IPA) and acetic acid. The gelation occurred within 30 minutes. The as-dried gel was calcined at 750 degrees C/6 h in air to obtain carbon free BaTiO3 powders. The resulting BT powders were further pressed into pellets and sintered at 1280 degrees C/4 h in air to get dense ceramics (density similar to 94\%). XRD and SEM techniques were used for phase and microstructure analysis respectively. The room temperature relative permittivity (e) of 1280 increased to 7200 (at Curie temperature of 127 degrees C) at 1 kHz frequency. The dissipation factor (tan delta) similar to 1.6\% was observed in these samples. Also, the ferroelectric properties such as spontaneous polarization (Ps similar to 13 mu C/cm(2)), coercive field (E-c similar to 4.0 kV/cm) and dielectric strength (similar to 34 kV/cm) are estimated for these samples. These performance parameters are compared with the available standard data from the literature.
}, keywords = {barium titanate, ferroelectricity, Microstructure, relative permittivity, sol-gel processing}, issn = {1385-3449}, doi = {10.1007/s10832-005-1460-7}, author = {Deshpande, S. B. and Godbole, P. D. and Khollam, Y. B. and Potdar, H. S.} } @article { ISI:000230023100001, title = {Characterization of gas-liquid flows in rectangular bubble columns using conductivity probes}, journal = {Chemical Engineering Communications}, volume = {192}, number = {9}, year = {2005}, month = {SEP}, pages = {1129-1150}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Unsteady gas-liquid flows in bubble columns are comprised of various flow processes occurring with varying length and time scales and govern mixing and transport processes. In the present work, we have characterized dynamic and time-averaged properties of gas-liquid flows in rectangular bubble columns using conductivity probes. The development of a single-tip conductivity probe, data processing methodology, and photographic validation procedure is discussed in detail. The effect of superficial gas velocity and aerated liquid height-to-width ( H/W) ratio on voidage fluctuations and time-averaged gas holdup was investigated. The experimental data presented here can help in understanding the dynamics of various flow processes and validating computational fluid dynamics based models.
}, keywords = {Bubble column, gas holdup, gas-liquid flows, voidage fluctuations}, issn = {0098-6445}, doi = {10.1080/009864490522704}, author = {Buwa, Vivek V. and Ranade, Vivek V.} } @article { ISI:000228604800045, title = {Characterization of gas-liquid flows in stirred vessels using pressure and torque fluctuations}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {9}, year = {2005}, month = {APR}, pages = {3298-3311}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Gas-liquid flows in a stirred vessel exhibit different flow regimes and demonstrate complex interaction of transport processes with varying spatio-temporal scales. The knowledge of key space and time scales of fluid dynamics is important for designing and enhancing the performance of gas-liquid stirred reactor. The present study uses simple, robust, and nonintrusive experimental techniques (torque and pressure sensors) to characterize the fluid dynamics in a gas-liquid stirred vessel. Time series obtained from the pressure and torque sensors were analyzed to develop criteria for flow regime identification. Further analyses of torque and pressure time series were done to extract valuable information of different time scales of fluid dynamics. The detailed analysis of torque and wall pressure fluctuations provided not only an insight into the fluid dynamics but also a possible opportunity to on-line monitoring of gas-liquid flows in stirred vessel.
}, issn = {0888-5885}, doi = {10.1021/ie0493412}, author = {Khopkar, A. R. and Panaskar, S. S. and Pandit, A. B. and Ranade, V. V.} } @article { ISI:000227196900007, title = {Characterization of nanocrystalline anatase titania: an in situ HTXRD study}, journal = {Thermochimica Acta}, volume = {427}, number = {1-2}, year = {2005}, month = {MAR}, pages = {37-41}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nanocrystalline titania was synthesized by the hydrolysis of titanium iso-propoxide using ultrasonication. The powder XRD patterns of the sample were recorded in static air and vacuum using a Philips X-pert Pro diffractometer equipped with a high-temperature attachment (HTK16) from room temperature (298 K) to 1173 K and were analyzed by the Rietveld refinement technique. The anatase to rutile phase transformation was observed at 1173 K for the data collected in static air. Only 3\% of anatase titania transformed to rutile when the experiments were carried out at H 73 K in vacuum. The phase transformation from anatase to rutile is accompanied by a continuous increase in the crystallite size of the anatase phase from 9 nm at room temperature to 28 nm at 873 K and then to 50 nm at 1173 K in air while the process of crystallite growth was suppressed in vacuum. A linear increase in the unit cell parameters {\textquoteleft}a{\textquoteright} and {\textquoteleft}c{\textquoteright}, and thus, an overall linear increase in the unit cell volume was observed as a function of temperature in static air as well as vacuum. The lattice and volume thermal expansion coefficients (TEC), alpha(a), alpha(c), and alpha(v) at 873 K are 8.57 x 10(-6), 8.71 x 10(-6) and 25.91 x 10(-6) K-1 in air and 18.01 x 10(-6), 14.95 x 10(-6) and 51.13 x 10(-6) K-1 in vacuum, respectively. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Anatase, HTXRD, Rietveld refinement, rutile, thermal expansion coefficient, titania}, issn = {0040-6031}, doi = {10.1016/j.tca.2004.08.011}, author = {Jagtap, Neelam and Bhagwat, Mahesh and Awati, Preeti and Ramaswamy, Veda} } @article { ISI:000229558600004, title = {Characterization of two midgut proteinases of helicoverpa armigera and their interaction with proteinase inhibitors}, journal = {Journal of Insect Physiology}, volume = {51}, number = {5}, year = {2005}, month = {MAY}, pages = {513-522}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Two serine proteinases from the midgut of Helicoverpa armigera have been partially purified and characterized. One proteinase, HGP-1, was capable of hydrolyzing a synthetic substrate of elastase and was inhibited by elastatinal. The second proteinase, HGP-2, was inhibited by a trypsin inhibitor. Molecular weights of HGP-1 and HGP-2 were approximately 26.0 and 29.0 kDa, respectively. Both the proteinases exhibited alkaline pH optima in the range of 10-11. Furthermore, interaction of HGP-1 and HGP-2 with proteinase inhibitors (PIs) from host and non-host plants was studied. HGP-1 was not only insensitive to a PI from chickpea (host) but was also able to degrade it. The same PI from chickpea was able to inhibit over 50\% activity of HGP-2. On the contrary, PIs from potato (non-host) showed strong inhibition of both, HGP-1 and HGP-2 and also demonstrated protection of chickpea seed proteins from digestion by both the HGPs. These results could provide important clues in designing strategies for sustainable use of plant PIs in developing insect-tolerant transgenic plants. (C) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {elastase, Helicoverpa armigera gut proteinases, insect-resistant plants, plant proteinase inhibitors}, issn = {0022-1910}, doi = {10.1016/j.jinsphys.2004.12.004}, author = {Telang, M. A. and Giri, Ashok P. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000226484200001, title = {Chelation controlled regiospecific O-substitution of myo-inositol orthoesters: convenient access to orthogonally protected myo-inositol derivatives}, journal = {Tetrahedron}, volume = {61}, number = {3}, year = {2005}, month = {JAN}, pages = {529-536}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A general method for the completely regioselective protection of the three secondary hydroxyl groups of orthoester derivatives of myo-mositol, utilizing the subtle differences in reactivity exhibited by its alkali metal alkoxides due to differences in their ability to form chelates, is described. This method provides convenient access to orthogonally protected myo-inositol derivatives. A comparison of the methylation of racemic 4-0-trityl-myo-inositol 1,3,5-orthoformate in the presence of sodium or lithium ions showed that stabilization of the C4-alkoxide by chelation with lithium overrides steric hindrance offered by the C6-axial substituent in deciding the regioselectivity during the nucleophilic O-substitution. (C) 2004 Elsevier Ltd. All rights reserved.
}, issn = {0040-4020}, doi = {10.1016/j.tet.2004.11.025}, author = {Devaraj, Subramanian and Shashidhar, M. S. and Dixit, Shailesh S.} } @article { ISI:000232860300043, title = {Chiral 2-C-methylene glycosides and carbohydrate-derived pyrano[2,3-b][1]benzopyrans: synthesis via InCl3 catalyzed stereoselective ferrier rearrangement of 2-C-acetoxymethyl glycal derivatives}, journal = {Tetrahedron Letters}, volume = {46}, number = {46}, year = {2005}, month = {NOV}, pages = {8047-8051}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
2-C-Acetoxymethyl glycal derivatives react with aliphatic alcohols in the presence of InCl3 (30 mol \%) to furnish the corresponding 2-C-methylene glycosides in excellent yields and with exclusive alpha-selectivity except for the methyl 2-C-methylene glycosides, which are formed in similar to 2:1 anomeric ratio in favour of the alpha-anomer. The reaction of 2-C-acetoxyglycals with phenols, however, produces the corresponding chiral carbohydrate-derived pyranobenzopyran derivatives via initial Ferrier rearrangement followed by tandem cyclization in excellent yields and moderate to high stereoselectivities in favour of the corresponding 10a-R-pyrano[2,3-b][1]benzopyran derivatives. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {2-C-methylene glycoside, InCl3, pyranobenzopyran, Stereoselective}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.09.059}, author = {Ghosh, R. and Chakraborty, A. and Maiti, D. K. and Puranik, Vedavati G.} } @article { ISI:000232157000036, title = {Cloning, preparation and preliminary crystallographic studies of penicillin V acylase autoproteolytic processing mutants}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {61}, number = {1}, year = {2005}, month = {JAN}, pages = {124-127}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1744-3091}, doi = {10.1107/S1744309104031227}, author = {Chandra, P. M. and Brannigan, James A. and Prabhune, Asmita and Pundle, A. and Turkenburg, J. P. and Dodson, Guy G. and Suresh, C. G.} } @article { ISI:000232320400015, title = {Cloning, purification, crystallization and preliminary structural studies of penicillin V acylase from Bacillus subtilis}, journal = {Acta Crystallographica Section F-Structural Biology Communications}, volume = {61}, number = {7}, year = {2005}, month = {JUL}, pages = {680-683}, publisher = {INT UNION CRYSTALLOGRAPHY}, type = {Article}, address = {2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND}, abstract = {
{Penicillin acylase proteins are amidohydrolase enzymes that cleave penicillins at the amide bond connecting the side chain to their beta-lactam nucleus. An unannotated protein from Bacillus subtilis has been expressed in Escherichia coli, purified and confirmed to possess penicillin V acylase activity. The protein was crystallized using the hanging-drop vapour-diffusion method from a solution containing 4 M sodium formate in 100 mM Tris-HCl buffer pH 8.2. Diffraction data were collected under cryogenic conditions to a spacing of 2.5 A. The crystals belonged to the orthorhombic space group C222(1), with unit-cell parameters a = 111.0
}, issn = {2053-230X}, author = {Rathinaswamy, P. and Pundle, A. V. and Prabhune, Asmita and SivaRaman, H. and Brannigan, James A. and Dodson, Guy G. and Suresh, C. G.} } @article { ISI:000230122100001, title = {CO2 activation and synthesis of cyclic carbonates and alkyl/aryl carbamates over adenine-modified Ti-SBA-15 solid catalysts}, journal = {Journal of Catalysis}, volume = {233}, number = {1}, year = {2005}, month = {JUL}, pages = {1-15}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Cyclic carbonates were synthesized by the cycloaddition Of CO2 to epoxides (epichlorohydrin, propene oxide, and styrene oxide), and carbamates were synthesized by reaction of alkyl or aryl amines, CO2, and n-butyl bromide. Solvents and cocatalysts/promoters, like N,N-dimethylaminopyridine (DMAP) and quaternary ammonium salts, which are usually essential with conventional catalyst systems, could be avoided with the use of adenine-modi lied Ti-SBA-15 catalysts. The catalysts were reused in several recycle experiments. The structural and textural properties of the catalysts were determined by X-ray diffraction (XRD), transmission electron microscopy (TEM), N-2 adsorption, and Fourier transform infrared (FTIR) and diffuse reflectance ultraviolet-visible (UV-vis DRS) techniques. Acid-base properties of the solid catalysts were investigated by temperature-programmed desorption (TPD) of NH3 and CO2 and DRIFTIR spectroscopy of adsorbed pyridine and CO2 techniques. The studies reveal that the Ti4+ ions increase catalytic activity by enhancing the adsorption of the epoxide and alkyl or aryl amine substrates. CO2 molecules are activated at the basic nitrogen groups of adenine. Increasing the surface concentrations of either CO2 (by anchoring basic molecules like adenine or increasing the partial pressure of CO2) or epoxides and alkyl or aryl amines (by increasing the concentration of Lewis acidic Ti4+ ions) enhances the catalytic activity. CO2 molecules activated at the covalently anchored adenine sites react with epoxide/amines adsorbed on the silica surface to form carbonates/carbamates. (c) 2005 Elsevier Inc. All rights reserved.
}, keywords = {activation of CO2, CO2 fixation, DRIFTIR spectroscopy of adsorbed pyridine and CO2, organo-functionalized mesoporous silica, phosgene-free synthesis, synthesis of carbamates, synthesis of cyclic carbonates, temperature-programmed desorption of NH3 and CO2 titanosilicates, Ti-SBA-15}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.03.023}, author = {Srivastava, R and Srinivas, D and Ratnasamy, P} } @article { ISI:000233129500063, title = {Cobalt and magnesium ferrite nanoparticles: preparation using liquid foams as templates and their magnetic characteristics}, journal = {Langmuir}, volume = {21}, number = {23}, year = {2005}, month = {NOV}, pages = {10638-10643}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An easy and convenient method for the synthesis of cobalt and magnesium ferrite nanoparticles is demonstrated using liquid foams as templates. The foam is formed from an aqueous mixture of an anionic surfactant and the desired metal ions, where the metal ions are electrostatically entrapped by the surfactant at the thin borders between the foam bubbles and their junctions. The hydrolysis is carried out using alkali resulting in the formation of desired nanoparticles, with the foam playing the role of a template. However, in the formation of ferrites with the formula MFe2O4, where the metal ion and iron possess oxidation states of +2 and +3, respectively, forming a foam from a 1:2 mixture of the desired ionic solutions would lead to a foam composition at variance with the original solution mixture because of greater electrostatic binding of ions possessing a greater charge with the surfactant. In our procedure, we circumvent this problem by preparing the foam from a 1:2 mixture of M2+ and Fe2+ ions and then utilizing the in situ conversion of Fe2+ to Fe3+ under basic conditions inside the foam matrix to get the desired composition of the metal ions with the required oxidation states. The fact that we could prepare both CoFe2O4 and MgFe2O4 particles shows the vast scope of this method for making even multicomponent oxides. The magnetic nanoparticles thus obtained exhibit a good crystalline nature and are characterized by superparamagnetic properties. The magnetic features observed for CoFe2O4 and MgFe2O4 nanoparticles are well in accordance with the expected behaviors, with CoFe2O4 particles showing higher blocking temperatures and larger coercivities. These features can easily be explained by the contribution of Co2+ sites to the magnetocrystalline anisotropy and the absence of the same from the Mg2+ ions.
}, issn = {0743-7463}, doi = {10.1021/la051595k}, author = {Bala, Tanushree and Sankar, C. R. and Baidakova, Marina and Osipov, V. and Enoki, Toshiaki and Joy, Pattayil Alias and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000227293600028, title = {Comment on {\textquoteleft}{\textquoteleft}Prediction of viscosity of mixed electrolyte solutions based on the Eyring{\textquoteright}s absolute rate theory and the equations of Patwardhan and Kumar by Y.-F. Hu{\textquoteright}{\textquoteright} (Chemical Engineering Science 2003,59,2457-2464)}, journal = {Chemical Engineering Science}, volume = {60}, number = {6}, year = {2005}, month = {MAR}, pages = {1793-1795}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, issn = {0009-2509}, doi = {10.1016/j.ces.2004.11.008}, author = {Kumar, Anil} } @article { ISI:000228743500063, title = {Comparison of the pervaporation separation of a water-acetonitrile mixture with zeolite-filled sodium alginate and poly(vinyl alcohol)-polyaniline semi-interpenetrating polymer network membranes}, journal = {Journal of Applied Polymer Science}, volume = {96}, number = {5}, year = {2005}, month = {JUN}, pages = {1968-1978}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The pervaporation (PV) separation performance of ZSM-5- and Na-Y-type zeolite-filled sodium alginate (NaAlg) membranes were compared with those of pure NaAlg and semi-interpenetrating polymer network (semi-IPN) membranes of poly(vinyl alcohol) (PVA) with polyaniline (PANI) for the dehydration of acetonitrile. The PV separation characteristics of the zeolite-filled membranes showed a dependence on the nature of the zeolites. The variation of the acidity function of the ZSM-5 zeolite had an influence on the flux and selectivity of the membranes when compared to unfilled membranes. The crosslinked membranes were characterized by differential scanning calorimetry, X-ray diffraction, scanning electron microscopy, and Fourier transform infrared spectroscopy. Increasing the PANI content of the semi-IPN network increased the separation selectivity. Among the NaAlg membranes, the plain NaAlg membrane showed the highest selectivity of 414 at 30 mass \% water in the feed mixture, whereas the Na-Y- and ZSM-5 (40)-filled NaAlg membranes exhibited much lower values of selectivity, that is, 7.3 and 4.3, respectively for 30 mass \% water in the feed. When the flux and selectivity data of ZSM-5 (250)-filled NaAlg membranes were compared with that of Na-Y- or ZSM-5 (40)-filled NaAlg membranes, a noticeable increase in the selectivity for the ZSM-5 (250)filled NaAlg membrane was observed, but a somewhat comparable flux was observed compared to the plain NaAlg membrane. For the first time, PANI was polymerized with PVA to yield a semi-IPN. The total flux and water flux increased systematically, whereas the selectivity decreased greatly from 251.87 to 5.95 with increasing amounts of water in the feed. (c) 2005 Wiley Periodicals, Inc.
}, keywords = {Diffusion, interpenetrating network (IPN), zeolites}, issn = {0021-8995}, doi = {10.1002/app.21653}, author = {Naidu, B. V. K. and Bhat, S. D. and Sairam, M. and Wali, A. C. and Sawant, D. P. and Halligudi, Shivaraj B. and Mallikarjuna, N. N. and Aminabhavi, Tejraj M.} } @article { ISI:000226743800002, title = {Computational study of a single-phase flow in packed beds of spheres}, journal = {AICHE Journal}, volume = {51}, number = {2}, year = {2005}, month = {FEB}, pages = {365-378}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Packed-bed reactors are widely used in petrochemical, fine chemical, and pharmaceutical industries. Detailed knowledge of interstitial flow in the void space of such packed-bed reactors is essential for understanding the heat and mass transfer characteristics. In this paper, fluid flow through the array of spheres was studied using the unit-cell approach, in which different periodically repeating arrangements of particles such as simple cubical, 1-D rhombohedral, 3-D rhombohedral, and face-centered cubical geometries were considered. Single-phase flow through these geometries was simulated using computational fluid dynamics (CFD). The model was first validated by comparing predicted results with published experimental and computational results. The validated model was further used to study the effect of particle arrangement/orientation on velocity distribution and heat transfer characteristics. The simulated results were also used to understand and to quantify, relative contributions of surface drag and form drag in overall resistance to the flow through packed-bed reactors. The model and the results presented here would be useful in elucidating the role of microscopic flow structure on mixing and other transport processes occurring in packed-bed reactors. (C) 2005 American Institute of Chemical Engineers.
}, keywords = {CFD, drag, heat transfer, packed bed, packing arrangement}, issn = {0001-1541}, doi = {10.1002/aic.10314}, author = {Gunjal, P. R. and Ranade, V. V. and Chaudhari, Raghunath V.} } @article { ISI:000233495500001, title = {Concise account of recent S(N)2 {\textquoteleft} grignard coupling reactions in organic synthesis}, journal = {Synthesis-Stuttgart}, number = {18}, year = {2005}, month = {NOV}, pages = {2995-3022}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Over the past few decades studies oil controlling the chemo-, regio- and stereoselectivities of allylic Substitution reactions have been well documented in the literature and the S(N)2{\textquoteright} Grignard coupling reaction has emerged as a very powerful tool ill selective carbon-carbon bond formation. This review focuses on all the recent synthetic developments in this special class of reactions. 1 Introduction 2 S(N)2{\textquoteright} Grignard Coupling Reactions with Allylic Substrates 2.1 Allyl Halides 2.2 Allyl Acetates 2.3 Allyl Carbonates 2.4 Allyl Carbamates 2.5 Allyl Ethers 2.6 Allyl Silyl Ethers 2.7 Allyl Epoxides 2.8 Allyl Aziridines 2.9 Allyl Oxazolidinones 2.10 Allyl Thioethers 2.11 Allyl Benzotriazoles 2.12 Oxabicyclic Alkenes 2.13 Azabicyclic Alkenes 2.14 Oxa-azabicyclic Alkenes 3 S(N)2{\textquoteright} Grignard Coupling Reactions with Propargyl Substrates 3.1 Propargyl Acetates 3.2 Propargyl Silyl Ethers 3.3 Propargyl Epoxides 3.4 Propargyl Aziridines 3.5 Propargyl Dithioacetals 3.6 Propargyl Thioethers 4 S(N)2{\textquoteright} Grignard Coupling Reactions with Bromoallenes 5 S(N)2{\textquoteright} Grignard Coupling Reactions in Natural/Unnatural Product Synthesis 6 Conclusions.
}, keywords = {allylic substrates, bromoallenes, chiral/achiral S(N)2 {\textquoteleft} Grignard coupling reactions, Natural products, propargyl Substrates}, issn = {0039-7881}, doi = {10.1055/s-2005-918455}, author = {Kar, Anirban and N. P. Argade} } @article { ISI:000233775600007, title = {Concomitant dimorphs of tri-O-[p-halobenzoyl]-myo-inositol 1,3,5-orthoformates with different halogen bonding contacts: first order crystal-to-crystal thermal phase transition of kinetic form to the thermodynamic form}, journal = {Chemical Communications}, number = {47}, year = {2005}, month = {OCT}, pages = {5870-5872}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Crystallization of tri-O-[p-halobenzoyl]-myo-inositol 1,3,5-orthoformates from ethyl acetate-petroleum ether solution produced concomitant dimorphs that have different halogen bonding contacts; the kinetic form with C-(BrO)-O-...-C contacts upon heating to 185 degrees C, converts completely to the thermodynamic form with C-(BrOLC)-O-... contacts via crystal-to-crystal first order phase transition.
}, issn = {1359-7345}, doi = {10.1039/b511754b}, author = {Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S. and Sanki, A. K.} } @article { ISI:000229223600004, title = {Conformationally constrained PNA analogues: structural evolution toward DNA/RNA binding selectivity}, journal = {Accounts of Chemical Research}, volume = {38}, number = {5}, year = {2005}, month = {MAY}, pages = {404-412}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Since its discovery 12 years ago, aminoethylglycyl peptide nucleic acid (aeg-PNA) has emerged as one of the successful DNA mimics for potential therapeutic and diagnostic applications. An important requisite for in vivo applications that has received inadequate attention is engineering PNA analogues for able discrimination between DNA and RNA as binding targets. Our approach toward this aim is based on structural preorganization of the backbone to hybridization-competent conformations to impart binding selectivity. This strategy has allowed us to design locked PNAs to achieve specific hybridization with DNA or RNA with aims to increase the binding strength without losing the binding specificity. This Account presents results of our rationale in design of different conformationally constrained PNA analogues, their synthesis, and evaluation of hybridization specificities.
}, issn = {0001-4842}, doi = {10.1021/ar030277e}, author = {Kumar, VA and Ganesh, Krishna N.} } @article { ISI:000232742000009, title = {Controlled growth of silicon nanocrystallites in silicon oxide matrix using 150 MeV Ag ion irradiation}, journal = {Nuclear Instruments \& Methods in Physics Research Section B-Beam Interactions with Materials and Atoms}, volume = {239}, number = {3}, year = {2005}, month = {SEP}, pages = {185-190}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We report the synthesis of silicon nanocrystals grown in silicon oxide matrix by swift heavy ion irradiation. Thin films of silicon oxide (SiO(x)) are irradiated with 150 MeV silver ions at fluence varying from 5 x 10(11) to 1 x 10(13) ions/cm(2). The variation in the properties of silicon nanocrystals embedded in silicon oxide with varying fluence is studied. The energy of the photoluminescence peak corresponding to the silicon nanocrystals is found to be red shifted with increasing fluence. The trends in the broadening of the X-ray diffraction peak with decreasing fluence supports the controlled growth of silicon nanocrystals in silicon oxide matrix. The crystallite size of nanoclusters of silicon is seen to increase with increasing fluence. The results are discussed in view of the structural transformation, in SiO(x) matrix, caused by swift heavy ion irradiation. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {oxide matrix, silicon nanocrystallites, swift heavy ion irradiation}, issn = {0168-583X}, doi = {10.1016/j.nimb.2005.04.069}, author = {Chaudhari, P. S. and Bhave, T. M. and Pasricha, R. and Singh, F. and Kanjilal, D. and Bhoraskar, S. V.} } @article { ISI:000226804000015, title = {Controlling the optical properties of lemongrass extract synthesized gold nanotriangles and potential application in infrared-absorbing optical coatings}, journal = {Chemistry of Materials}, volume = {17}, number = {3}, year = {2005}, month = {FEB}, pages = {566-572}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Anisotropic metal nanoparticles have distinct optical behavior when compared with their spherical counterparts. In this report, we demonstrate a simple method involving the reduction of aqueous gold ions by the extract of the lemongrass plant leading to the formation of gold nanotriangles with interesting absorption in the near-infrared (NIR) region of the electromagnetic spectrum. We show that, by simple variation of the experimental conditions, it is possible to vary the size of the gold nanotriangles and, thus, to tune the absorbance of flat gold nanoparticles in the NIR region. The NIR absorption of the gold nanotriangles is expected to be of application in hyperthermia of cancer cells and in IR-absorbing optical coatings. We show that the lemongrass extract synthesized gold nanotriangles can be easily cast in the form of films on glass substrates and that these films are highly efficient in absorbing IR radiation for potential architectural applications.
}, issn = {0897-4756}, doi = {10.1021/cm048292g}, author = {Shankar, S. S. and Rai, A. and Ahmad, Absar and Sastry, M.} } @article { ISI:000226714000027, title = {Convenient synthesis of 5-methylene-4-substituted-2(5H)-furanones}, journal = {Tetrahedron Letters}, volume = {46}, number = {6}, year = {2005}, month = {FEB}, pages = {1009-1012}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A synthesis of novel 4-(substituted)benzyl-5-methylene-2(5H)-furanones involving Stobbe condensation of substituted aldehydes with ethyl levulinate followed by treatment with acetic anhydride in the presence of sodium acetate, has been developed. (C) 2004 Elsevier Ltd. All rights reserved.
}, keywords = {5-methylene-2(5H)-furanones, acetic anhydride, arylaldehydes, ethyl levulinate, sodium acetate}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2004.12.040}, author = {Mahajan, Vishal A. and Shinde, Popat D. and Borate, Hanumant B. and Wakharkar, Radhika D.} } @article { ISI:000234092500005, title = {Convenient synthesis of the enantiomerically pure beta-blocker (S)-betaxolol using hydrolytic kinetic resolution}, journal = {Tetrahedron-Asymmetry}, volume = {16}, number = {23}, year = {2005}, month = {NOV}, pages = {3802-3806}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Enantiopure (S)-betaxolol was prepared in an extremely simple and practical way using hydrolytic kinetic resolution of a terminal epoxide by Jacobsen{\textquoteright}s catalyst. High enantiomeric purity (99\% ee) has been achieved and the method is amenable to industrial scale-up. (c) 2005 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2005.10.028}, author = {Joshi, Ramesh A. and Garud, Dinesh R. and Muthukrishnan, Murugan and Joshi, Rohini R. and Gurjar, M. K.} } @article { ISI:000232773100050, title = {Conversion of fly ash - an environmentally detrimental waste to zeolite beta (BEA) for commercial catalytic applications}, journal = {Journal of the American Ceramic Society}, volume = {88}, number = {11}, year = {2005}, month = {NOV}, pages = {3260-3263}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
Zeolite beta (BEA) was synthesized hydrothermally using fly ash as a combined source of alumina and silica. The overall crystallization period required to obtain pure crystalline BEA zeolite was found to be slightly longer when fly ash was used. The physicochemical properties of BEA phases obtained using fly ash (FLBEA) and conventional source materials (CONBEA) were compared. The H/FLBEA catalyst has exhibited excellent catalytic performance in commercially important benzene isopropylation process. These results have demonstrated that converting fly ash into BEA zeolite not only alleviates the disposal problem but also turns an otherwise waste material into a marketable commodity.
}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2005.00575.x}, author = {Kasture, M. W. and Bokade, Vijay V. and Joshi, P. N.} } @article { ISI:000229592000044, title = {Copper- and ligand-free sonogashira reaction catalyzed by Pd(0) nanoparticles at ambient conditions under ultrasound irradiation}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {12}, year = {2005}, month = {JUN}, pages = {4869-4872}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The Sonogashira reaction proceeds at ambient temperature (30 degrees C) in acetone or room-temperature ionic liquid, 1,3-di-n-butylimidazolium tetrafluoroborate ([bbim]BF4), as solvent under ultrasound irradiation to give enhanced reaction rates, excellent chemoselectivity, and high yields in the absence of a copper cocatalyst and a phosphine ligand. TEM analysis showed the formation of stable, crystalline, and polydispersed Pd(0) nanoparticles as catalyst for the reaction.
}, issn = {0022-3263}, doi = {10.1021/jo0503815}, author = {Gholap, Atul R. and Venkatesan, K. and Pasricha, R. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000230389700020, title = {Copper(II) ion-exchanged montmorillonite as catalyst for the direct addition of N-H bond to CC triple bond}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {236}, number = {1-2}, year = {2005}, month = {JUL}, pages = {139-144}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
An efficient synthesis of phenyl-(1-phenylethylidene)amine using copper-exchanged montmorillonite clay (Cu K-10) is demonstrated. The catalyst was characterized using UV-vis, XRD, BET surface area measurements, pyridine adsorption etc. The XRD and surface area measurement show that the structural characteristics of the support montmorillonite K-10 (K-10) are preserved after Cu exchange. The hydroamination of phenyl acetylene with aniline was carried out in toluene under reflux condition in N-2 atmosphere at 393 K. The reaction is highly regio-selective for only Markovnikoff{\textquoteright}s addition of an-tine to CC multiple bond and proceeded smoothly to completion. The reaction conditions were optimized to obtain complete conversion with respect to phenyl acetylene. Reaction data showed that the activity of the catalyst in hydroamination reaction is greater at higher reaction temperatures and nonpolar solvents and NZ pressure promotes the reaction drastically. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {alkyne, Aniline, Catalyst, hydroamination, K-10 montmorillonite clay, phenyl acetylene}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.04.022}, author = {Joseph, Trissa and Shanbhag, G. V. and Halligudi, Shivappa B.} } @article { ISI:000228898600009, title = {Co-precipitation method for the preparation of ferroelectric CaBi4Ti4O15}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {16}, number = {4}, year = {2005}, month = {APR}, pages = {229-231}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A simple co-precipitation technique has been successfully applied for the preparation of pure single phase CaBi4Ti4O15 (CBT) powders. Ammonium oxalate and ammonium hydroxide were used to precipitate Ca2+, Bi3+ and Ti4+ cations simultaneously. No pyrochlore phase was found while heating powder at 600\&DEG; C and pure CBT phase was found to be formed by X-ray diffraction. Particle size and morphology was studied by transmission electron microscopy (TEM). The room temperature dielectric constant at 1 kHz is 400. The ferroelectric hysteresis loop parameters of these samples were also studied. (C) 2005 Springer Science + Business Media, Inc.
}, issn = {0957-4522}, doi = {10.1007/s10854-005-0773-2}, author = {Gaikwad, S. P. and Dhage, S. R. and Ravi, V.} } @article { ISI:000227603500004, title = {Co-precipitation method for the preparation of fine ferroelectric BaBi2M2O9}, journal = {Ceramics International}, volume = {31}, number = {3}, year = {2005}, month = {JAN}, pages = {379-381}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A simple co-precipitation technique had been successfully applied for the preparation of pure fine powders of single phase BaBi2Nb2O9. Ammonium hydroxide and ammonium oxalate were used to precipitate Ba2+, Bi3+ and Nb5+ cations simultaneously. No pyrochlore phase was formed while heating powder at 800 degrees C and pure BaBi2Nb2O9 phase was found to be formed by X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). The room temperature dielectric constant at 1 kHz is 100. The ferroelectric hysteresis loop parameters of these samples were also studied. (c) 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {dielectric properties, Electron microscopy, ferroelectric properties, powders chemical preparation}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2004.05.024}, author = {Gaikwad, S. P. and Potdar, HS and Samuel, V and Ravi, V} } @article { ISI:000227550500009, title = {Co-precipitation method for the preparation of nanocrystalline ferroelectric SrBi2Nb2O9 ceramics}, journal = {Journal of Electroceramics}, volume = {14}, number = {1}, year = {2005}, month = {JAN}, pages = {83-87}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A simple co-precipitation technique had been successfully applied for the preparation of pure ultrafine single phase SrBi2Nb2O9. Ammonium hydroxide and ammonium oxalate were used to precipitate Sr2+, Bi3+ and Nb5+ cations simultaneously. No pyrochlore phase was found while heating powder at 850 C and pure SrBi2Nb2O9 (SBN) phase was formed as revealed by the X-ray diffraction (XRD) studies. Particle size and morphology was studied by transmission electron microscopy (TEM). The room temperature dielectric constant at 1 kHz is 100. The ferroelectric hysteresis loop parameters of these samples were also studied.
}, keywords = {Ceramics, Chemical synthesis, electronic materials, ferroelectricity, Oxides}, issn = {1385-3449}, doi = {10.1007/s10832-005-6588-y}, author = {Gaikwad, S. P. and Dhage, S. R. and Potdar, H. S. and Samuel, V. and Ravi, V.} } @article { ISI:000227447800012, title = {Coprecipitation technique to prepare BaNb2O6}, journal = {Materials Science and Engineering B-Solid State Materials for Advanced Technology}, volume = {117}, number = {2}, year = {2005}, month = {MAR}, pages = {169-171}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A mixture of ammonium oxalate and ammonium hydroxide was used to coprecipitate barium and niobium ions as barium oxalate and niobium hydroxide under basic conditions. This precursor on calcination at 750degreesC yielded BaNb2O6 ceramics. This is a much lower temperature as compared to that prepared by traditional solid-state method (1000degreesC), as reported for the formation of BaNb2O6. Transmission electron microscope (TEM) investigations revealed that the average particle size is 100 nm for the calcined powders. The room temperature dielectric constant at 1 kHz is found to be 1100. The ferroelectric hysteresis loop parameters of these samples were also studied. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Ammonia, Ceramics, Electron microscopy, niobium oxide, Oxides}, issn = {0921-5107}, doi = {10.1016/j.mseb.2004.11.009}, author = {Natarajan, N and Samuel, V and Pasricha, R and Ravi, V} } @article { ISI:000230160700011, title = {Coprecipitation technique to prepare SrNb2O6}, journal = {Materials Characterization}, volume = {55}, number = {1}, year = {2005}, month = {JUL}, pages = {92-95}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
A mixture of ammonium oxalate and ammonium hydroxide was used to co-precipitate strontium and niobium ions as strontium oxalate and niobium hydroxide under basic conditions. This precursor yielded SrNb2O6 ceramics on calcining at 650 degrees C. This is a much lower temperature compared to preparation of SrNb2O6 by the traditional solid state method (900 degrees C). Transmission electron microscopy (TEM) revealed that the average particle size is 100 nm for the calcined powders. The room temperature dielectric constant at 1 kHz is found to be 550. The ferroelectric hysteresis loop parameters of these samples were also studied. (c) 2005 Elsevier Inc. All rights reserved.
}, keywords = {Ceramics, Electron microscopy, ferroelectric, Oxides, X-ray methods}, issn = {1044-5803}, doi = {10.1016/j.matchar.2005.04.002}, author = {Ravi, V} } @article { ISI:000229811300003, title = {Coprecipitation technique to prepare ZnM2O6 powders}, journal = {Bulletin of Materials Science}, volume = {28}, number = {3}, year = {2005}, month = {JUN}, pages = {205-207}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
A simple coprecipitation technique was successfully applied for the preparation of pure ultrafine single phase, ZnNb2O6 (ZN). Ammonium hydroxide was used to precipitate Zn2+ and Nb5+ cations as hydroxides simultaneously. This precursor on heating at 750 degrees, produced ZN powders. For comparison, ZN powders were also prepared by the traditional solid state method. The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). Particle size and morphology were studied by transmission electron spectroscopy (TEM).
}, keywords = {Ceramics, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0250-4707}, doi = {10.1007/BF02711248}, author = {Deshpande, V. V. and Patil, M. M. and Navale, S. C. and Ravi, V.} } @article { ISI:000233661000012, title = {Correlated complex independent particle potential for calculating electronic resonances}, journal = {Journal of Chemical Physics}, volume = {123}, number = {20}, year = {2005}, month = {NOV}, pages = {204110}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
We have formulated and applied an analytic continuation method for the recently formulated correlated independent particle potential [A. Beste and R. J. Bartlett J. Chem. Phys. 120, 8395 (2004)] derived from Fock space multireference coupled cluster theory. The technique developed is an advanced ab initio tool for calculating the properties of resonances in the low-energy electron-molecule collision problem. The proposed method quantitatively describes elastic electron-molecule scattering below the first electronically inelastic threshold. A complex absorbing potential is utilized to define the analytic continuation for the potential. A separate treatment of electron correlation and relaxation effects for the projectile-target system and the analytic continuation using the complex absorbing potential is possible, when an approximated form of the correlated complex independent particle potential is used. The method, which is referred to as complex absorbing potential-based correlated independent particle (CAP-CIP), is tested by application to the well-known (2)Pi(g) shape resonance of e-N-2 and the B-2(2g) shape resonance of e-C2H4 (ethylene) with highly satisfactory results. (c) 2005 American Institute of Physics.
}, issn = {0021-9606}, doi = {10.1063/1.2130338}, author = {Sajeev, Y and Santra, R and Pal, S} } @article { ISI:000228625600003, title = {Corrosion protective poly(o-toluldine) coatings on copper}, journal = {Corrosion Science}, volume = {47}, number = {6}, year = {2005}, month = {JUN}, pages = {1352-1369}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
This study examines the use of poly(o-toulidine) (POT) coatings for corrosion protection of copper (Cu) in an aqueous solution of 3\% NaCl. The POT coatings were synthesized on Cu substrates under cyclic voltammetric conditions from an aqueous solution of sodium oxalate. The resulting, POT coatings were uniform, shiny and strongly adherent to the Cu substrates. These coatings were characterized by cyclic voltammetry (CV), UV-visible absorption spectroscopy, Fourier transform infrared (FTIR) spectroscopy and scanning electron microscopy (SEM). The ability of POT to serve as a corrosion protective coating for Cu was examined by potentiodynamic polarization measurements and CV. The results of this study clearly reveal that the POT acts as corrosion protective coating on Cu and reduces the corrosion rate of Cu almost by a factor of 40. (c) 2004 Elsevier Ltd. All rights reserved.
}, keywords = {Conducting polymer coatings, Copper, Corrosion resistant coatings, cyclic voltammetry, poly(o-toluidine) coatings}, issn = {0010-938X}, doi = {10.1016/j.corsci.2004.07.041}, author = {Shinde, V. and Sainkar, S. R. and Patil, P. P.} } @article { ISI:000232157000041, title = {Crystallization and preliminary x-ray characterization of a lectin from Cicer arietinum (chickpea)}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {61}, number = {1}, year = {2005}, month = {JAN}, pages = {141-143}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1744-3091}, doi = {10.1107/S1744309104032166}, author = {Katre, Uma V. and Gaikwad, S. M. and Bhagyawant, S. S. and Deshpande, U. D. and Khan, Mohammad Islam and Suresh, C. G.} } @article { ISI:000233400500005, title = {Crystallization of polymers from stressed melts}, journal = {Journal of Macromolecular Science-Polymer Reviews}, volume = {C45}, number = {4}, year = {2005}, month = {OCT}, pages = {375-397}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
In the last decade, there have been several investigations into the route by which a polymer melt that has been subjected to flow transforms into a crystalline state. Crystallization of polymers from flowing or stressed melts is a technologically important problem since most thermoplastics are subjected to intense flow fields during normal processing operations. The renewed interest in this problem is due to the availability of new experimental tools that, coupled with advances in modeling and simulations, are beginning to yield insights into the molecular characteristics that control the crystallization pathways adopted by a stressed polymer melt. Recent evidence conclusively implicates the high molecular weight tail in promoting crystallization on shearing. It appears that the formation of oriented nuclei in polydisperse melts is controlled by chain orientation of a small fraction of high molecular weight chains in a melt. Thus, it is the theological criteria for {\textquoteleft}{\textquoteleft}critical{\textquoteright}{\textquoteright} chain orientation that govern flow-induced acceleration and orientation in polymer crystallization. This review summarizes the literature on the effect of shearing on polymer crystallization, and focuses on recent advances in understanding the role of molecular parameters that couple polymer crystallization to flow and melt orientation.
}, keywords = {flow, polymer crystallization, processing, shear}, issn = {1532-1797}, doi = {10.1080/15321790500304171}, author = {Kumaraswamy, Guruswamy} } @article { ISI:000227998900001, title = {Cure characteristics and dielectric properties of magnetic composites containing strontium ferrite}, journal = {Journal of Elastomers and Plastics}, volume = {37}, number = {2}, year = {2005}, month = {APR}, pages = {109-121}, publisher = {SAGE PUBLICATIONS LTD}, type = {Article}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {
Hexagonal strontium ferrite (SrFe12O19) powders were synthesized by the conventional ceramic techniques. They were then characterized by the X-ray diffraction method and incorporated in the natural rubber matrix according to a specific recipe for various loadings of ferrite to produce rubber ferrite composites (RFCs). The processability of these compounds was determined by evaluating the cure characteristics namely, scorch time, cure time, minimum and maximum torque. The evaluation of the dielectric properties of ceramic strontium ferrite (SrF), natural rubber gum vulcanizate, and RFCs were done with the help of a Hewlett Packard (HP) impedance analyzer. The magnetic properties of these composites were studied using a Vibrating Sample Magnetometer (VSM). The effect of carbon black on the processability, and the magnetic and dielectric properties were also studied by the incorporation of carbon black into these composites. It has been found that the addition of these ferrites and carbon black does not affect the processability of these composites, whereas the physical properties are found to be modified. From the magnetic and dielectric measurements it has been found that flexible magnets having appropriate dielectric strength can be prepared by the incorporation of appropriate amount of SrF and carbon black in the natural rubber matrix.
}, keywords = {hexagonal ferrites, Magnetic materials, permanent magnets, rubber ferrite composites (RFCs), strontium ferrite}, issn = {0095-2443}, doi = {10.1177/0095244305046488}, author = {Soloman, M. A. and Kurian, P. and Anantharaman, Maliemadom R. and Joy, Pattayil Alias} } @article { ISI:000229103900028, title = {Degradability of composites, prepared from ethylene-propylene copolymer and jute fiber under accelerated aging and biotic environments}, journal = {Materials Chemistry and Physics}, volume = {92}, number = {2-3}, year = {2005}, month = {AUG}, pages = {458-469}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The utilization of natural fiber as reinforcement for the thermoplastic composites is growing not only for ecological concern but also for wide range of applications. In the present article, three types of composites were prepared by melt mixing of ethyl ene-propylene (EP) copolymer and (i) 3\% NaOH treated jute fiber, (ii) 17.5\% NaOH treated jute fiber and (iii) commercial microcrystalline cellulose powder using maleated EP copolymer as compatibilizer. The obtained composites were characterized by Fourier transform infrared spectroscopy (FTIR), Thermal gravimetric analysis (TGA) and microscopic measurements. The durability of the composites was evaluated under polychromatic irradiation (λ \&GE; 290 nm) and composting condition for different time intervals. It was found that the treatments on the natural fiber have influenced the service life of the end product. Composites made from microcrystalline cellulose showed better mechanical properties as well as photo-resistance. The specimen containing 3\% NaOH treated fiber exhibited relatively lowest photo-resistance and biosusceptibility. It was found that the composites were less durable under both abiotic and biotic conditions in comparison of the neat polymer matrix. {\textcopyright} 2005 Elsevier B.V. All rights reserved.
}, keywords = {accelerated aging and composting, composites, ethylene-propylene (EP) copolymers, jute fibers, mechanical properties, microcystalline cellulose powder}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.01.027}, author = {Kumar, AP and Singh, RP and Sarwade, BD} } @conference { ISI:000238284200016, title = {Density functional response approach for electric properties of molecules}, booktitle = {International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005)}, series = {LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES}, volume = {3}, year = {2005}, note = {International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005), Corinth, GREECE, OCT 21-26, 2005}, month = {OCT}, pages = {142-151}, publisher = {Vsp BV-C/o Brill Acad Publ, Po Box 9000, 2300 Pa Leiden, Netherlands}, organization = {Vsp BV-C/o Brill Acad Publ, Po Box 9000, 2300 Pa Leiden, Netherlands}, address = {Corinth, Greece}, abstract = {
We review in this paper an implementation of the response approach to the Kohn-Sham (KS) density functional theory (DFT) for obtaining the linear and non-linear electric response properties of molecules using Gaussian type orbital basis centered on atoms. We have made a formulation in which the response of the electron density through the solution of the coupled perturbed Kohn-Sham (CPKS) equations has to be obtained only once, instead of iteratively as in the case of completely analytic procedure. Our method is based on a numerical finite-field solution of derivative KS operator, followed by analytic solution of CPKS equation. Further, using the response of the electron density, the dipole moment, polarizability and first-hyperpolarizability of the molecules are evaluated. The method is particularly useful for large systems. We tested our method using HF, BH, H2O and CO as test molecules, for which, high quality ab initio results are available. Further, our study of possible incorporation of non-dynamical electron correlation by studying BH and HF at several internuclear distances is discussed.
}, keywords = {Density functional theory, molecular properties, polarizability, Response approach}, isbn = {90-6764-442-0}, issn = {1573-4196}, author = {Pal, Sourav and Sophy, K. B.}, editor = {Maroulis, G and Simos, T} } @article { ISI:000228797100055, title = {Deposition and characterization of silver nano-films by a novel solid liquid interface reaction technique (SLIRT)}, journal = {Materials Letters}, volume = {59}, number = {14-15}, year = {2005}, month = {JUN}, pages = {1958-1961}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Solid-liquid interface reaction technique (SLIRT) is used to deposit silver film on glass substrate. The solid film of silver nitrate is formed by modified spin coating method. This film is subsequently processed by dipping it in a reducing solution so as to initiate a reaction at the interface and ultimately transform it to totally silver film. In situ transformation of silver nitrate to silver is studied with respect to time spectrophotometrically. The characterization of silver film is done by various physicochemical techniques namely XRD, XPS, ED, TEM and UV visible spectroscopy. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Electron microscopy, Nano-Particles, solid-liquid interface reaction, thin film}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.02.035}, author = {Godbole, P. D. and Mitra, A. and Pasricha, R. and Mandale, A. B. and Patil, K. R.} } @article { ISI:000228904900011, title = {Deposition of indium nitride films by activated reactive evaporation process - a feasibility study}, journal = {Applied Surface Science}, volume = {245}, number = {1-4}, year = {2005}, month = {MAY}, pages = {73-78}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Indium nitride (InN) films are deposited by {\textquoteleft}activated reactive evaporation (ARE){\textquoteright} process using parallel plate coupled nitrogen plasma (radio frequency source of 13.56 MHz) and evaporation of pure indium powder by resistive heating. Depositions are carried out by varying RF plasma power, on n-type silicon \&LANGBRAC; 1 0 0\&RANGBRAC; substrate, maintained at room temperature, at a nitrogen gas pressure of 1.06 x 10(-1) Pa (8 x 10 (-4) Torr). The film{\textquoteright}s crystallinity was examined by X-ray diffraction (XRD) and topography by scanning electron microscope (SEM). The diffraction pattern shows polycrystalline nature of the deposited films with characteristics of hexagonal structure. XRD peak intensity increases with increase in power. SEM observations show a smooth and pinhole free surface having improved quality of film with hexagonal structure as the power is increased from 60 to 120 W. Primary X-ray photoelectron spectroscopy (XPS) results show binding energies of the In 3d levels and N 1s level matching well with that of stoichiometric InN. Further, the refractive index of the films, measured by ellipsometry, is in the range of η = 2.79-2.91 with the variation of plasma power, which is in good agreement with the standard value for indium nitride (η = 2.9). These results indicate the feasibility of using, {\textquoteleft}activated reactive evaporation (ARE){\textquoteright} process for indium nitride depositions on silicon \&LANGBRAC; 1 0 0\&RANGBRAC; substrates maintained at room temperature. {\textcopyright} 2004 Elsevier B.V. All rights reserved.
}, keywords = {activated reactive evaporation, ellipsometry, indium nitride, SEM, XRD}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2004.09.119}, author = {Patil, Sheetal J. and Bodas, Dhananjay S. and Mandale, A. B. and Gangal, S. A.} } @article { ISI:000228904900029, title = {Deposition of PTFE thin films by RF plasma sputtering on < 100 > silicon substrates}, journal = {Applied Surface Science}, volume = {245}, number = {1-4}, year = {2005}, month = {MAY}, pages = {202-207}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Polymers have been studied extensively due to the wonderful array of properties presented by them. Polymer materials can be coated/deposited by various techniques like sputtering (magnetron, ion beam, RF or dc), plasma polymerization, etc. and can be used in coatings, paint industries, etc. The present study deals with the RF sputter deposition of poly(tetrafluoro ethylene) (PTFE), commonly known as Teflon. Depositions were carried out on mirror polished silicon (1 0 0) substrates at different powers in the range of 100-200 W. The deposition time was kept constant at 60 min. The sputtered film shows lower contact angle of 50\&DEG; with water and 44\&DEG; with diiodomethane, a lower interfacial tension value of 0.76 dyne/cm, indicating hydrophilicity and good adhesion of the film with the substrate. FHR indicates presence of C-F, C-F-2 bonding groups in the deposited film. Further, XPS study shows presence of CF3 (292.2 eV), CF2 (290.8 eV), C-F (288.0 eV) and C-CF (286.4 eV) moieties indicating deposition of PTFE films at higher power levels of plasma. {\textcopyright} 2004 Elsevier B.V. All rights reserved.
}, keywords = {Contact angle measurement, FTIR, PTFE, RF plasma sputtering, XPS}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2004.10.023}, author = {Bodas, Dhananjay S. and Mandale, A. B. and Gangal, S. A.} } @article { ISI:000233391900008, title = {Design, syntheses, and characterization of new thermoplastic polyureas based on 3,4-ethylenedioxythiophene}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {23}, year = {2005}, month = {DEC}, pages = {5823-5830}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
New thermoplastic polyureas labeled PUn (n = 2, 3, 4, 6, 7, 9, or 10), based on 3,4-ethylenedioxythiophene (EDOT) with flexible aliphatic spacers, were synthesized and characterized for the first time. EDOT was chosen as a replacement for the aromatic phenyl group in conventional thermoplastics based on urea linkages to improve solubility without compromising the thermal properties. As synthesized, all the samples exhibited a semicrystalline nature. The glass-transition and melting temperatures showed a strong dependence on the spacer length. A comparison of the thermal properties of these polyureas with the corresponding phenyl analogues indicated that EDOT was a viable heteroatomic analogue of the phenyl group to be inserted into the main-chain polyureas without hampering their thermal stability. The polyureas with spacer lengths greater than hexamethylene formed transparent gels in N-methylpyrrolidone, 1,1,2,2-tetrachloroethane, and dimethyl sulfoxide. The molecular packing of the polyureas was assigned with wide-angle X-ray diffraction studies. (c) 2005 Wiley Periodicals, Inc.
}, keywords = {3, 4-ethylenedioxythiophene, heteroaromatic polymers, Polyurea, polyurea gels, Thermogravimetric analysis (TGA), thermoplastics, WAXS}, issn = {0887-624X}, doi = {10.1002/pola.21065}, author = {Ojha, U. P. and Ramesh, C. and Kumar, Anil} } @article { ISI:000227299100006, title = {Destructive adsorption of methyl parathion over nanocrystalline MgO}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {44}, number = {2}, year = {2005}, month = {FEB}, pages = {251-255}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
Destructive adsorption of methyl parathion (MP) has been investigated over few transition metal oxides and alkali earth metal oxides. Performance of alkaline earth oxides have been found to be better than transition metal oxides and best performance has been shown by aerogel method prepared nanocrystalline AP-MgO. The AP-MgO powder has been characterized by XRD, AFM and BET surface area measurements. Destructive adsorption of MP over AP-MgO has been compared with that of activated carbon. Both are found to adsorb methyl parathion effectively. An IR investigation of the surface of treated AP-MgO and activated carbon reveals that activated carbon adsorbs methyl parathion as such in the molecular form and AP-MgO adsorbs it destructively.
}, issn = {0376-4710}, author = {Reddy, V. S. and RadheShyam, A. and Dwivedi, Reena and Gupta, R. K. and Chumbhale, Vilas R. and Prasad, R.} } @article { ISI:000233790400003, title = {Determination of C-13 CSA tensors: extension of the model-independent approach to an RNA kissing complex undergoing anisotropic rotational diffusion in solution}, journal = {Journal of Biomolecular NMR}, volume = {33}, number = {3}, year = {2005}, month = {NOV}, pages = {163-174}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Chemical shift anisotropy (CSA) tensor parameters have been determined for the protonated carbons of the purine bases in an RNA kissing complex in solution by extending the model-independent approach [Fushman, D., Cowburn, D. (1998) J. Am. Chem. Soc. 120, 7109-7110]. A strategy for determining CSA tensor parameters of heteronuclei in isolated X-H two-spin systems (X = C-13 or N-15) in molecules undergoing anisotropic rotational diffusion is presented. The original method relies on the fact that the ratio kappa(2)=R-2(auto)/R-2(cross) of the transverse auto- and cross-correlated relaxation rates involving the X CSA and the X-H dipolar interaction is independent of parameters related to molecular motion, provided rotational diffusion is isotropic. However, if the overall motion is anisotropic kappa(2) depends on the anisotropy D parallel to/D-perpendicular to of rotational diffusion. In this paper, the field dependence of both kappa(2) and its longitudinal counterpart kappa(1)=R-1(auto)/R-1(cross) are determined. For anisotropic rotational diffusion, our calculations show that the average kappa(av) = 1/2 (kappa(1)+kappa(2)), of the ratios is largely independent of the anisotropy parameter D parallel to/D-perpendicular to. The field dependence of the average ratio kappa(av) may thus be utilized to determine CSA tensor parameters by a generalized model-independent approach in the case of molecules with an overall motion described by an axially symmetric rotational diffusion tensor.
}, keywords = {anisotropic rotational diffusion, chemical shift anisotropy tensors, cross-correlation, model-independent approach, NMR}, issn = {0925-2738}, doi = {10.1007/s10858-005-3472-7}, author = {Ravindranathan, S and Kim, CH and Bodenhausen, G} } @article { ISI:000232691500012, title = {Development of a simple assay protocol for high-throughput screening of mycobacterium tuberculosis glutamine synthetase for the identification of novel inhibitors}, journal = {Journal of Biomolecular Screening}, volume = {10}, number = {7}, year = {2005}, month = {OCT}, pages = {725-729}, publisher = {SAGE PUBLICATIONS INC}, type = {Article}, address = {2455 TELLER RD, THOUSAND OAKS, CA 91320 USA}, abstract = {
Mycobacterium tuberculosis glutamine synthetase (GS) is an essential enzyme involved in the pathogenicity of the organism. The screening of a compound library using a robust high-throughput screening (HTS) assay is currently thought to be the most efficient way of getting lead molecules, which are potent inhibitors for this enzyme. The authors have purified the enzyme to a \> 90\% level from the recombinant Escherichia coli strain YMC21E, and it was used for partial characterization as well as standardization experiments. The results indicated that the K-m of the enzyme for L-glutamine and hydroxylamine were 60 mM and 8.3 mM, respectively. The K-m for ADP, arsenate, and Mn2+, were 2 mu M, 5 mu M, and 25 mu M, respectively. When the components were adjusted according to their K-m values, the activity remained constant for at least 3 h at both 25 degrees C and 37 degrees C. The Z{\textquoteright} factor determined in microplate format indicated robustness of the assay. When the signal/noise ratios were determined for different assay volumes, it was observed that the 200-mu l volume was found to be optimum. The DMSO tolerance of the enzyme was checked up to 10\%, with minimal inhibition. The IC50 value determined for L-methionine S-sulfoximine on the enzyme activity was 3 mM. Approximately 18,000 small molecules could be screened per day using this protocol by a Beckman Coulter HTS setup.
}, keywords = {Beckman Coulter, Glutamine synthetase, high-throughput screening, Mycobacterium tuberculosis}, issn = {1087-0571}, doi = {10.1177/1087057105278013}, author = {Singh, U and Panchanadikar, V and Sarkar, Dhiman} } @article { ISI:000227246800051, title = {Diastereoselective amidoalkylation of (3S,7aR)-6-benzyl-7-hydroxy-3-phenyltetra-hydro-5H-imidazo[1,5-c][1, 3]thiazol-5-one : a short and highly efficient synthesis of (+)-biotin}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {5}, year = {2005}, month = {MAR}, pages = {1901-1903}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A short and highly efficient synthesis of W-biotin in 10 steps with 20\% overall yield has been achieved from L-cysteine involving amidoalkylation of hydroxy imidazothiazolone 4 via an acyliminium ion intermediate to furnish C-7-substituted imidazothiazolones 5b as the key step.
}, issn = {0022-3263}, doi = {10.1021/jo0488107}, author = {Chavan, Subhash P. and Chittiboyina, A. G. and Ravindranathan, T. and Kamat, Subhash K. and Kalkote, Uttam R.} } @article { ISI:000232166800028, title = {Diastereoselective and general route to 5-amino-5-deoxysugars: influence of C-3 substitution on the addition of amines to C-5 of vinyl sulfone-modified Hex-5-enofuranosyl carbohydrates}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {20}, year = {2005}, month = {SEP}, pages = {8047-8054}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In the synthesis of vinyl sulfone-modified hex-5-enofuranosides, the E/Z ratios of the products are influenced by the stereoelectronic property of a group present at the C-3 position. This observation has been utilized to influence the diastereoselectivity of addition of amines to C-5 of vinyl sulfone-modified hex-5-enofuranosides, which are efficient Michael acceptors. The stereoelectronic effect of OMe attached to the beta-face of C-3 (gluco derivative) is sufficient to impose diastereoselectivity overwhelmingly in favor of L-ido-aminosugars when the Michael acceptor is reacted with both primary and secondary amines. 3-O-Benzylated gluco derivative is also effective in producing L-ido-aminosugars but only in reactions with primary amines. The selectivity is lost when an allo derivative with OBn at the alpha-face of C-3 is used. Selected products were desulfonated to establish this new approach as a general and versatile strategy for accessing 5-amino-5-deoxysugars.
}, issn = {0022-3263}, doi = {10.1021/jo051143c}, author = {Das, Indrajit and Pathak, T. and Suresh, C. G.} } @article { ISI:000232743700020, title = {Direct synthesis of well-ordered and unusually reactive FeSBA-15 mesoporous molecular sieves}, journal = {Chemistry of Materials}, volume = {17}, number = {21}, year = {2005}, month = {OCT}, pages = {5339-5345}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Large-pore hexagonal SBA-15 molecular sieves partially substituted with iron(III) have been synthesized for the first time in highly acidic media. The degree of iron(III) incorporation into SBA-15 can easily be controlled by a simple adjustment of the molar ratio of water and hydrochloric acid. All the materials have been characterized by XRD, N-2 adsorption, UV-Vis DRS, ESR, and XANES spectroscopy. The characterization of the FeSBA-15 materials by UV-Vis DRS, ESR, and XANES spectroscopies suggests that the iron atoms are highly dispersed and mostly occupy isolated tetrahedral sites. XANES studies revealed that the proportion of tetrahedrally coordinated Fe atoms decreases with decreasing n(Si)/n(Fc) ratios. Benzylation of benzene (or substituted benzenes) using benzyl chloride as the alkylating agent over FeSBA-15 with different n(Si)/n(Fe) ratios was investigated as was the same reaction using AISBA-15 as catalyst. The influence of parameters such as reaction temperature, reactant feed ratio, and the presence of electron-donating substituents on the activity and selectivity of AISBA-15 was studied. Under optimized reaction conditions, the FeSBA-15 catalyst showed a superior catalytic performance in the benzylation of benzene and other aromatics using benzyl chloride, with a clean conversion of benzyl chloride to the monoalkylated product (100\% selectivity) with a very high rate constant when compared to other mesoporous materials such as AISBA-15 and FeHMS. Interestingly, use of FeSBA-15(21) resulted in quantitative conversion of benzyl chloride with a high rate constant of 2420.5 x 10(-4) min(-1) under the optimized reaction conditions.
}, issn = {0897-4756}, doi = {10.1021/cm050883z}, author = {Vinu, A. and Sawant, D. P. and Ariga, Katsuhiko and Hossain, K. Z. and Halligudi, Shivappa B. and Hartmann, Martin and Nomura, M.} } @article { ISI:000233352800026, title = {Diversity oriented synthesis of tricyclic compounds from glycals using the ferrier and the pauson-khand reactions}, journal = {Journal of Combinatorial Chemistry}, volume = {7}, number = {6}, year = {2005}, month = {NOV}, pages = {968-976}, publisher = {AMER CHEMICAL SOC}, type = {a}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Diversity oriented synthesis of tricyclic compounds was achieved using a combination of the Ferrier reaction and the Pauson-Khand reaction. Ferrier reaction was effected using NbCl5, and the Pauson-Khand reaction was carried out using CO2(CO)(8), acetonitrile-dimethoxyethane. Michael additions using various alkyl, aryl, and heterocyclic thiols were also performed successfully. The Ferrier, Pauson-Khand, and Michael addition reactions were found to be highly diastereoselective.
}, issn = {1520-4766}, doi = {10.1021/cc050079+}, author = {Hotha, Srinivas and Tripathi, A.} } @article { ISI:000226473300004, title = {DNA and PNA as templates for building nanoassemblies via electrostatic complexation with gold nanoparticles}, journal = {Current Applied Physics}, volume = {5}, number = {2}, year = {2005}, note = {Indo-Japan Workshop on Advanced Molecular Electronics and Bionics, Kyushu Inst Technol, Grad Sch Life Sci \& Syst Engn, Kitakyushu, JAPAN, DEC 11-13, 2003}, month = {FEB}, pages = {102-107}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Organisation of nanoparticles on structurally well-defined templates is a first step towards creating nanomachines. In this respect, nucleic acids are ideal structural templates and a variety of secondary structures realizable from DNA/RNA - e.g., duplexes, hairpins, triplexes, cruciforms, tetraplexes can be exploited to engineer nanoparticle organization at will. We have used oligonucleotides and their analogues such as phosphorothioates and peptide nucleic acids to electrostatically encapsulate cationic-capped gold nanoparticles. This article describes synthesis and characterization of DNA/PNA-gold nanoparticle composites using TEM and UV-T-m techniques. These types of assemblies may have potential for creating nanowires and lithographic circuits. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {DNA, DNA-gold nanoparticle interactions, nanoassemblies, PNA}, issn = {1567-1739}, doi = {10.1016/j.cap.2004.06.020}, author = {Gourishankar, A and Shukla, S and Pasricha, R and Sastry, M and Ganesh, Krishna N.} } @article { ISI:000230717500010, title = {DNA-binding studies of mixed ligand cobalt(III) complexes}, journal = {Transition Metal Chemistry}, volume = {30}, number = {3}, year = {2005}, month = {APR}, pages = {312-316}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The DNA binding characteristics of mixed ligand complexes of the type [Co(en)(2)(L)]Br-3 where en = N,N{\textquoteright}-ethylenediamine and L = 1,10-phenanthroline (phen), 2,2{\textquoteright}-bipyridine (bpy), 1,10-phenanthroline-5,6-dione (phendione), dipyrido[3,2-a:2{\textquoteright},3{\textquoteright}-c]phenazine (dppz) have been investigated by absorption titration, competitive binding fluorescence spectroscopy and viscosity measurements. The order of intercalative ability of the coordinated ligands is dppz \> phen \> phendione \> bpy in this series of complexes.
}, issn = {0340-4285}, doi = {10.1007/s11243-004-5855-0}, author = {Barve, A. C. and Ghosh, Smita and Kumbhar, A. A. and Kumbhar, A. S. and Puranik, Vedavati G.} } @article { ISI:000232802700002, title = {Durability of natural fiber-reinforced composites of ethylene-propylene copolymer under accelerated weathering and composting conditions}, journal = {Journal of Thermoplastic Composite Materials}, volume = {18}, number = {6}, year = {2005}, month = {NOV}, pages = {489-508}, publisher = {SAGE PUBLICATIONS LTD}, type = {Article}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {
Three types of composites are prepared by the melt mixing of ethylene-propylene copolymer (EPC) with (i) 3 \% NaOH-treated jute fiber, (ii) 17.5 \% NaOH-treated jute fiber, and (iii) commercial microcrystal line cellulose powder using maleated EPC as compatibilizer. The composites obtained are characterized by FTIR and microscopic measurements. Their mechanical properties are measured using a UTM (Instron model 4204). The durability of the composites is evaluated in an irradiation chamber with UV radiation of wavelength lambda \>= 290 mn and composting conditions at different time intervals. The composites made from microcrystalline cellulose show superior mechanical properties, biodisintegrability, as well as photoresistance whereas the specimen containing 3\% NaOH-treated fiber exhibited the lowest photoresistance. Increasing the quantity of maleated EP (MEP) in the composition decreases photostability. Neat EPC has been found to be highly stable than all the composites with increasing UV irradiation. It has been found that the composites are less durable under both abiotic and biotic conditions in comparison to the neat polymer.
}, keywords = {compatibilization, composites, jute fiber, mechanical properties, Microcrystalline cellulose, photodegradation and composting}, issn = {0892-7057}, doi = {10.1177/0892705705054411}, author = {Kumar, A. P. and Depan, Dilip and Singh, R. P.} } @article { ISI:000226083500005, title = {Dynamics of drop impact on solid surface: experiments and VOF simulations}, journal = {AICHE Journal}, volume = {51}, number = {1}, year = {2005}, month = {JAN}, pages = {59-78}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The process of spreading/recoiling of a liquid drop after collision with a flat solid surface was experimentally, and computationally studied to identify the key issues in spreading of a liquid drop oil a solid surface. The long-term objective of this study is to gain an insight in the phenomenon of wetting of solid particles in the trickle-bed reactors. Interaction of a falling liquid drop with a solid surface (impact, spreading, recoiling, and bouncing) was studied using a high-speed digital camera. Experimental data oil dynamics of a drop impact on flat surfaces (glass and Teflon) are reported over a range of Reynolds numbers (550-2500) and Weber numbers (2-20). A computational fluid dynamics (CFD) model, based on the volume of fluid (VOF) approach, was used to simulate drop dynamics on the flat sufaces. The experimental results were compared with the CFD simulations. Simulations showed reasonably good agreement with the experimental data. A VOF-based computational model was able to capture key features of the interaction of a liquid drop with solid surfaces. The CFD simulations provide information about finer details of drop interaction with the solid surface. Information about gas-liquid and liquid-solid drag obtained from VOF simulations would be useful for CFD modeling of trickle-bed reactors. (C) 2004 American Institute of Chemical Engineers.
}, keywords = {CFD, drop impact, recoiling, spreading, trickle bed, VOF}, issn = {0001-1541}, doi = {10.1002/aic.10300}, author = {Gunjal, P. R. and Ranade, V. V. and Chaudhari, Raghunath V.} } @article { ISI:000228833300134, title = {(E)-1-(2-Hydroxy-3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)-prop-2-en-1-on e}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {61}, number = {5}, year = {2005}, month = {MAY}, pages = {O1323-O1325}, publisher = {BLACKWELL MUNKSGAARD}, type = {Article}, address = {1 ROSENORNS ALLE, DK-1970 FREDERIKSBERG C, DENMARK}, abstract = {
The title compound, C17H16O5, crystallizes with two independent molecules in the asymmetric unit. These are oriented approximately orthogonal to one another. The keto group adopts an s-cis conformation; the six-membered ring formed by the O-H\&BULL;\&BULL;\&BULL; O hydrogen bond and the adjacent benzene ring are approximately coplanar. In addition to an intramolecular O-H\&BULL;\&BULL;\&BULL; O hydrogen bond, intermolecular O-H\&BULL;\&BULL;\&BULL; O interactions link adjacent molecules into chains.
}, issn = {1600-5368}, doi = {10.1107/S1600536805010731}, author = {Krishna, J. R. and Kumar, N. J. and Krishnaiah, M. and Rao, C. V. and Rao, Y. K. and Puranik, Vedavati G.} } @article { ISI:000229127000022, title = {Effect of 2-(2-pyridyl)azole-based ancillary ligands (L1-4) on the electrophilicity of the nitrosyl function in [Ru-II(trpy)(L1-4)(NO)](3+) [trpy=2,2 {\textquoteleft}: 6 {\textquoteleft},2 {\textquoteleft}{\textquoteright}-terpyridine]. synthesis, structures, and spectroscopic, electrochemical, and kinetic aspects}, journal = {Inorganic Chemistry}, volume = {44}, number = {10}, year = {2005}, month = {MAY}, pages = {3499-3511}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Ruthenium nitrosyl complexes [Ru(trpy)(L1-4)(NO)](3+) (13-16) [trpy = 2,2{\textquoteright}:6{\textquoteright},2"-terpyridine, L-1 = 2-(2-pyridyl)-benzoxazole, L-2 = 2-(2-pyridyl)benzthiazole, L-3 = 2-(2-pyridyl)benzimidazole, L-4 = 1-methyl-2-(2-pyridyl)-1H-benzimidazole] were obtained in a stepwise manner starting from [Ru-II(trpy)(L1-4) (Cl)]ClO4 (1-4) \&RARR; [Ru-II(trpy)(L1-4) (H2O)](ClO4)(2) (5-8) \&RARR; [Ru-II(trpy)(L1-4) (NO2)ClO4 (9-12) \&RARR; [Ru-II(trpy)(L-1,L-2,L-4) (NO)](ClO4)(3) (13, 14, 16)/[Ru-II(trpy)(L-3) (NO)](Cl)(4))(2)(NO3) (15). Crystal structures of 1, 2, 4, 9, 12, 13, 15, and 16 established the stereoretentive nature of the transformation processes. Though the complexes of L1, L3, and L 4 were isolated in the isomeric form A (π-acceptor trpy and azole ring in the equatorial plane and the pyridine and chloride donors in the axial positions), complexes of L 2 preferentially stabilized in form B (trpy and pyridine in the equatorial plane and the azole ring and chloride donors in the axial positions). The v(NO) stretching frequency varied in the range of 1957-1932 cm(-1), 13 \&MGT; 14 \&MGT; 15 \> 16, primarily depending on the electronic aspects of L as well as the isomeric structural forms. The coordinated nitrosyl function underwent successive reductions of [Ru-II-NO+](3+) \&RARR; [Ru-II-NO\&BULL;](2+) and [Ru-II-NO\&BULL;](2+) - [Ru-II-NO-](+), and the first reduction potential follows the order 14 \> 13 \&MGT; 15 \&AP; 16. The nearly axial EPR spectra having nitrogen hyperfine splittings (A \&AP; 26 G) at 77 K of 13(-)-16(-) with (g) \&AP; 2.0 established that the reduction process is largely centered around the nitrosyl function. Despite an appreciably high v(NO), the complexes were found to be unusually stable even in the aqueous medium. They transformed slowly and only partially into the corresponding nitro derivatives in H2O (k \&AP; 10(-4) s(-1) and K = 0.4-3.8). The chloro (1-4), aqua (5-8), and nitro (9-12) derivatives displayed reasonably strong emissions near 700 nm at 77 K (φ = 10(-1)-10(-2)). The aqua derivative 7 was found to interact with the calf thymus and the circular form of p-Bluescript SK DNA.
}, issn = {0020-1669}, doi = {10.1021/ic048184w}, author = {Chanda, N. and Paul, D. and Kar, S. and Mobin, Shaikh M. and Datta, Anindya and Puranik, Vedavati G. and Rao, K. K. and Lahiri, Goutam Kumar} } @article { ISI:000229181600012, title = {Effect of connectivity and terminal functionality on mesophase behaviour of thermotropic liquid crystals containing biphenyl units}, journal = {Liquid Crystals}, volume = {32}, number = {4}, year = {2005}, month = {APR}, pages = {499-512}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
A series of 4,4{\textquoteright}-disubstituted biphenyls, designated as series HBC, in which, one substituent is an ester group linked directly to the ring and the other is the hydroxy-containing group O(CH2)(n)OH, have been prepared and analysed by differential scanning Calorimetry, polarizing optical microscopy and X-ray diffraction. The introduction of a trimethylene unit between the ester functional group and the biphenyl moiety of the HBC series gives rise to the HBB series, which did not exhibit liquid crystalline behaviour. Interestingly, mesophase behaviour could be restored by replacing the methylene group ( of the trimethylene unit) that was directly attached to the biphenyl ring by a keto group (HBOB series). When the terminal hydroxy group of these three series was substituted by a group such as acetoxy or hydrogen, the transition temperatures were reduced, and the disappearance of mesophase behaviour was observed in some cases. However, this could be recovered by the replacement of the ester group by a carboxylic acid group.
}, issn = {0267-8292}, doi = {10.1080/02678290500033802}, author = {Ranganathan, T. and Ramesh, C. and Kumar, Anil} } @article { ISI:000231564300102, title = {Effect of disorder on the magnetic properties of LaMn0.5Fe0.5O3}, journal = {Physical Review B}, volume = {72}, number = {5}, year = {2005}, month = {AUG}, pages = {054426}, publisher = {AMERICAN PHYSICAL SOC}, type = {Article}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
Polycrystalline LaMn0.5Fe0.5O3 is synthesized by a low-temperature method and the magnetic properties of the resulting powder have been studied after annealing the sample in air at different temperatures in the range 200 degrees C-1350 degrees C. Room temperature Mossbauer spectroscopic studies show that the Fe ions are present in the +3 oxidation state in the material. However, the magnetic properties vary widely in an unexpected manner when samples are annealed at different temperatures. Zero field cooled magnetization studies show a cusp below 100 K, for the sample annealed at 200 degrees C, indicating a spin-glass-like or superparamagnetic behavior. However, this cusp disappears completely when the sample is annealed at 700 degrees C but still showing a magnetic hysteresis loop with reduced magnetization at low temperatures. The cusp again appears when the sample is annealed at higher temperatures with increasing low-temperature magnetization. EPR and IR spectroscopic studies indicate changes in the distribution of Mn3+ and Fe3+ ions in the lattice. The overall results can be explained in terms of random distribution of Mn3+ and Fe3+ ions in the lattice and formation of some magnetic clusters, with the degree of distribution of the ions varying for samples annealed at different temperatures.
}, issn = {1098-0121}, doi = {10.1103/PhysRevB.72.054426}, author = {Bhame, Shekhar D. and Joly, V. L. Joseph and Joy, Pattayil Alias} } @article { ISI:000229128300059, title = {Effect of NaBr, KCl, KBr, and MgCl2 on viscosities of aqueous glycine and L-alanine solutions at 298.15 K}, journal = {Journal of Chemical and Engineering Data}, volume = {50}, number = {3}, year = {2005}, month = {JUN}, pages = {1083-1086}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Viscosities, η, of glycine and L-alanine are measured in aqueous solutions of NaBr, KCl, KBr, and MgCl2 up to high concentrations at 298.15 K. This study suggests that 1:1 electrolytes enhance the structure making ability of the amino acids whereas MgCl2 does not. The viscosities of the above solutions are correlated using a simple model with two interaction parameters.
}, issn = {0021-9568}, doi = {10.1021/je050048y}, author = {Badarayani, Rohini and Satpute, D. B. and Kumar, Anil} } @article { ISI:000230122900010, title = {Effect of RuO2 in the shape selectivity of submicron-sized SnO2 structures}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {25}, year = {2005}, month = {JUN}, pages = {12297-12303}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Several dissimilar types of tin oxide microstructures including bipyramids, cubes, and wires synthesized effectively by means of a simple approach were investigated using X-ray diffraction (XRD), thermogravimetry/ differential thermometric analysis (TG-DTA), and X-ray photoelectron spectroscopy (XPS). A possible growth mechanism is proposed using the results of these studies. The texture coefficient values of all the structures, indexed to a tetragonal lattice, exhibit amazing variation in the preferred orientation with respect to their shapes. Although XPS data indicate that wires and cubes have a strong SnO2 type signal, bipyramids interestingly exhibit both SnO and SnO2 signals and a correlation of the binding energy helps in understanding the growth kinetics of such submicron structures. The. results suggest that the bipyramids are formed because of the vapor-solid process (VS) while wires and cubes are formed by the vapor-liquid-solid (VLS) progression.
}, issn = {1520-6106}, doi = {10.1021/jp044677a}, author = {Ramgir, N. S. and Mulla, Imtiaz S. and Vijayamohanan, K. P.} } @article { ISI:000227590100009, title = {Effects of conjugation length and donor-acceptor functionalization on the non-linear optical properties of organic push-pull molecules using density functional theory}, journal = {Journal of Molecular Structure-Theochem}, volume = {715}, number = {1-3}, year = {2005}, month = {FEB}, pages = {59-64}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We consider a series of dipolar organic molecules where the donor groups and the acceptor groups are separated by pi-conjugation like phenyl ring or alkene chains. We have performed extensive quantum chemical calculations based on density functional theory (DFT) to calculate their linear and non-linear optical coefficients. We show that though DFT is known to overestimate the polarizabilities of quasilinear systems,the results with proper inclusion of exchange correlation compare well with the experimental studies. On increasing the pi-conjugation length, the coefficients increase non-linearly. We also vary the donor and the acceptor groups and study the role of chemical modifications on the response properties. Herein we suggest experimental methods by which the molecules may be arranged in non-centrosymmetric fashion in the bulk for device integration. (c) 2004 Elsevier B.V. All rights reserved.
}, keywords = {DFr, donor-acceptor functionalization, non-linear properties, push-pull molecules}, issn = {0166-1280}, doi = {10.1016/j.theochem.2004.10.054}, author = {Datta, Anindya and Pal, S.} } @article { ISI:000233001300007, title = {Efficient and improved method for the Biginelli reaction using solid superacid (sulphated SnO2)}, journal = {Heterocyclic Communications}, volume = {11}, number = {5}, year = {2005}, month = {OCT}, pages = {399-402}, publisher = {FREUND PUBLISHING HOUSE LTD}, type = {Article}, address = {PO BOX 35010, TEL AVIV 61350, ISRAEL}, abstract = {
One-pot synthesis of 3,4-dihydropyrimidin-2(1H)-one (DHPM) has been effected efficiently by coupling of the three components, aldehyde, ethyl acetoacetate and urea/thiourea in the presence of solid Superacid (sulphated SnO2). The method presented herein is attractive with respect to yield, reaction time, workup procedure and reusable catalyst.
}, keywords = {Biginelli, DHPM, sulphated SnO2}, issn = {0793-0283}, author = {Bhosale, R. S. and Hashmi, A. M. and Zubaidha, P. K. and Dongare, Mohan K.} } @article { ISI:000236923500003, title = {Efficient and selective cleavage of the tert-butoxycarbonyl (Boc) group under basic condition}, journal = {Arkivoc}, number = {14}, year = {2005}, month = {MAY}, pages = {20-28}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
A simple, efficient and mild method for the selective cleavage of tert-butoxycarbonyl (Boc) from dicarbamates and a carbonyl or aromatic ring in conjugation with the nitrogen atom bearing the Boc-group is described under basic condition.
}, keywords = {alpha-amino acids, celogenitins, di-t-butylimidodicarbonate, racemization, Selective deprotection}, issn = {1424-6376}, author = {Mohapatra, Debendra K. and Durugkar, Kulbhushan A.} } @article { ISI:000227930800016, title = {Efficient method for the synthesis of methyl 11 alpha-amino-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate}, journal = {Tetrahedron}, volume = {61}, number = {14}, year = {2005}, month = {APR}, pages = {3605-3612}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The synthesis of methyl 11 alpha-azido-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate, methyl 11 beta-azido-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate and methyl 11 alpha-amino-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate have been achieved. Mechanistic aspects for the decomposition of steroidal azidoketones to its enamines are discussed. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {11-aminosteroid, 11-azidosteroid, base catalyzed epimerization, HIV-1 protease inhibitors, steroidal enamines}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.073}, author = {Salunke, D. B. and Hazra, Braja G. and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Pore, V. S.} } @article { ISI:000226332600017, title = {Efficient stereoselective synthesis of (2S,4S,5R)-(-)- and (2R,4R,5S)-(+)-bulgecinine}, journal = {Tetrahedron Letters}, volume = {46}, number = {3}, year = {2005}, month = {JAN}, pages = {439-441}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short synthetic route to (-)-and (+)-bulgecinine, the amino acid moiety of the bulgecins was achieved from the readily available nonchiral pool starting material cis-2-butene-1,4-diol in which a Claisen orthoester rearrangement and a Sharpless asymmetric dihydroxylation were used as the key steps. (C) 2004 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2004.11.101}, author = {Chavan, Subhash P. and Praveen, C. and Sharma, P. and Kalkote, Uttam R.} } @article { ISI:000232045500026, title = {Efficient synthesis of 2,3-aziridino-gamma-lactones from azetidin-2-ones}, journal = {Synlett}, number = {15}, year = {2005}, month = {SEP}, pages = {2370-2372}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
An efficient synthesis of enantiopure 2,3-aziridino-gamma-lactones from azetidin-2-ones is described. Acid-catalyzed tandem intramolecular azetidinone ring opening followed by aziridine ring formation via elimination of a mesylate group is the key step in this synthesis. 2,3-Aziridino-gamma-lactones are important precursors for biologically important glutamic acid derivatives.
}, keywords = {azetidin-2-ones, aziridines, glutamic acid, lactones}, issn = {0936-5214}, doi = {10.1055/s-2005-875563}, author = {Kale, Ajaykumar S. and Deshmukh, A. R. A. S.} } @article { ISI:000231751000005, title = {Efficient total synthesis of iso-cladospolide B and cladospolide B}, journal = {Tetrahedron Letters}, volume = {46}, number = {39}, year = {2005}, month = {SEP}, pages = {6625-6627}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient synthesis of iso-cladospolide B and cladospolide B has been achieved using Jacobsen{\textquoteright}s hydrolytic kinetic resolution (HKR), Sharpless asymmetric dihydroxylation and Yamaguchi macrolactonization as the key steps. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {cladospolide B, Hydrolytic kinetic resolution, iso-cladospolide B, sharpless asymmetric dihydroxylation, Yamaguchi macrolactonization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.07.153}, author = {Pandey, SK and Kumar, P} } @article { ISI:000227928200058, title = {Efficient total synthesis of sapinofuranone B}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {7}, year = {2005}, month = {APR}, pages = {2843-2846}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An efficient enantioselective synthesis of sapinofuranone B (1) using Sharpless asymmetric dihydroxylation, Sonogashira coupling, and Wittig olefination as the key steps is described.
}, issn = {0022-3263}, doi = {10.1021/jo048087k}, author = {Kumar, P and Naidu, SV and Gupta, P} } @article { ISI:000227026100019, title = {Electrochemical studies of poly (3,4-ethylenedioxythiophene) PEDOT/VS2 nanocomposite as a cathode material for rechargeable lithium batteries}, journal = {Electrochemistry Communications}, volume = {7}, number = {2}, year = {2005}, month = {FEB}, pages = {213-218}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Here, we demonstrate the electrochemical characterization of a new type of layered poly (3,4-ethylenedioxythiophene) PEDOT/ VS2 nanocomposite. It has been prepared via flocculation of delaminated VS2 with subsequent in situ oxidative polymerization of 3,4-ethylenedioxythiophene (EDOT) with VS2 as a host material in the presence of an external oxidizing agent. The interlayer spacing Of VS2 expands from 5.71 to 14.01 A and this interlayer separation is consistent with the existence of a monolayer of PEDOT in the VS2 framework. X-ray diffraction, XPS and TEM studies have been;shown the change in interlayer separation is consistent with the existence of two phases of organic and inorganic species in the nanocomposites corresponding to the intercalation of PEDOT in the VS2 framework. The application potential of the nanocomposite as a cathode material for rechargeable lithium batteries is also demonstrated by the electrochemical intercalation of lithium into the PEDOT/VS2 nanocomposite, where a significant enhancement in the discharge capacity is observed (similar to130 mAh/g) compared to that (80 mAh/g) for pristine VS2. (C) 2004 Published by Elsevier B.V.
}, keywords = {layered nanocomposite, lithium batteries, polythiophene, vanadium disulfide}, issn = {1388-2481}, doi = {10.1016/j.elecom.2004.12.013}, author = {Murugan, A. Vadivel and Gopinath, Chinnakonda S. and Vijayamohanan, K.} } @article { ISI:000227823500012, title = {Electrochemical synthesis and corrosion protection properties of poly(o-toluidine) coatings on low carbon steel}, journal = {Journal of Applied Polymer Science}, volume = {96}, number = {3}, year = {2005}, month = {MAY}, pages = {685-695}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Uniform and strongly adherent poly(o-toluidine) (POT) coatings have been synthesized on low carbon steel (LCS) substrates by electrochemical polymerization (ECP) of o-toluidine under cyclic voltammetric conditions from an aqueous sodium tartrate solution. Cyclic voltammetry (CV), UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) measurements, and scanning electron microscopy (SEM) were used to characterize these coatings, which indicates that the sodium tartrate is a suitable medium for the ECP of o-toluidine and it occurs without noticeable dissolution of LCS. Corrosion protection properties of the POT coatings were evaluated in aqueous 3\% NaCl by the potentiodynamic polarization measurements and CV. The result of the potentiodynamic polarization demonstrates that the POT coating has ability to protect the LCS against corrosion. The corrosion potential was about 334 mV more positive in aqueous 3\% NaCl for the POT-coated LCS than that of bare LCS and reduces the corrosion rate of LCS almost by a factor of 50. (c) 2005 Wiley Periodicals, Inc.
}, keywords = {conducting polymers, Corrosion resistant coatings, cyclic voltarnmetry, Electrochemical polymerization, FT-IR, Poly(o-toluidine), UV-vis spectroscopy}, issn = {0021-8995}, doi = {10.1002/app.21497}, author = {Shinde, V. and Sainkar, S. R. and Patil, P. P.} } @article { ISI:000231714000001, title = {Electronic spectra and ionization potentials of halogen oxides using the fock space coupled-cluster method}, journal = {Collection of Czechoslovac Chemical Communications}, volume = {70}, number = {7}, year = {2005}, month = {JAN}, pages = {851-863}, publisher = {INST ORGANIC CHEM AND BIOCHEM}, type = {Article}, address = {ACAD SCI CZECH REPUBLIC, FLEMINGOVO NAM 2, PRAGUE 6 166 10, CZECH REPUBLIC}, abstract = {
The ionization potentials and excitation energies of halogen monoxides and dihalogen oxides are studied using fully size-extensive Fock space version of multi-reference coupled-cluster theory. The low-lying excited states of ClO-, FO-, Cl2O and F2O are obtained along with the ionization spectra of Cl2O and F2O. The adiabatic electron affinity of ClO, FO and the vertical detachment energy of ClO- and FO- are also presented.
}, issn = {0010-0765}, doi = {10.1135/cccc20050851}, author = {Vaval, N and Manohar, Prashant Uday and Pal, S} } @article { ISI:000229664600004, title = {Electronic structure and ferromagnetism of polycrystalline Zn1-xCoxO (0 <= x <= 0.15)}, journal = {Solid State Communications}, volume = {134}, number = {10}, year = {2005}, month = {JUN}, pages = {665-669}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The electronic structure of polycrystalline ferromagnetic Zn1-x,CoxO (0.05 \<= x \<= 0.15) and the oxidation state of Co in it, have been investigated. The Co-doped polycrystalline samples are synthesized by a combustion method and are ferromagnetic at room temperature. XPS and optical absorption studies show evidence for Co2+ ions in the tetrahedral symmetry, indicating, substitution of Co2+ in the ZnO lattice. However, powder XRD and electron diffraction data shock the presence of Co metal in the samples. This give evidence to the fact that some Co2+ ion are incorporated in the ZnO lattice which gives changes in the electronic structure whereas ferromagnetism comes from the Co metal impurities present in the samples. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Magnetically ordered materials, Optical properties, Semiconductors}, issn = {0038-1098}, doi = {10.1016/j.ssc.2005.03.013}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000234174800006, title = {Enantioselective synthesis of 1-azaspiro[5.5]undecane ring system of histrionicotoxin alkaloids from D(+)-glucose}, journal = {Heterocycles}, volume = {65}, number = {12}, year = {2005}, month = {DEC}, pages = {2901-2916}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Histrionicotoxins, the archetype of a group of spiropiperidine containing alkaloids from the brightly colored poison arrow frog Dendrobates histronicus native to the Amazon rain forests of Southern Columbia, was first isolated by Daly, Witkop and co-workers in 1971.1 They all share a common Iazaspiro[5.5]undecan-8-ol ring system with unsaturated C4 or C5 side chains at both the 2 and 7 positions. The nature and length of the side chains distinguish the different members of the histrionicotoxin family.
}, keywords = {chiron approach, domino reaction, Ring closing metathesis}, issn = {0385-5414}, author = {Bera, Smritilekha} } @article { ISI:000227833600003, title = {Enantioselective synthesis of (S)-alpha-arylpropionic acids via pd-catalyzed kinetic resolution of benzylic alcohols}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {44}, number = {3}, year = {2005}, month = {MAR}, pages = {557-562}, publisher = {NATL INST SCIENCE COMMUNICATION}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
A convenient synthetic route for the synthesis of three (S)-alpha-propionic acids, (S)-naproxen (90\% ee), (S)-ibuprofen (82\% ee) and (S)-phenylpropioilic acid (92\% ee) is described. Pd-catalyzed oxidative kinetic resolution of the corresponding benzylic alcohols is used as a key step to introduce stereogenicity into the molecule.
}, issn = {0376-4699}, author = {Thakur, V. V. and Sudalai, A.} } @article { ISI:000231661800039, title = {Enantioselective synthesis of tarchonanthuslactone via iterative hydrolytic kinetic resolution}, journal = {Tetrahedron Letters}, volume = {46}, number = {38}, year = {2005}, month = {SEP}, pages = {6571-6573}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short and practical enantioselective synthesis of tarchonanthuslactone has been achieved in high diastereomeric excess using iterative Jacobsen{\textquoteright}s hydrolytic kinetic resolution and ring closing metathesis as the key steps. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Jacobsen{\textquoteright}s hydrolytic kinetic resolution, Ring closing metathesis, tarchonanthuslactone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.07.056}, author = {Gupta, P and Naidu, SV and Kumar, P} } @article { ISI:000229384000005, title = {Encoding and decoding graphical chemical structures as two-dimensional (PDF417) barcodes}, journal = {Journal of Chemical Information and Modeling}, volume = {45}, number = {3}, year = {2005}, month = {MAY}, pages = {572-580}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A wide range of molecular representations exist today, ranging from human-readable structural diagrams over line notations such as Wiswesser Line Notation (WLN) and SMILES to several dozen computer-readable file formats. Still, to encode molecular structures in a computer-readable way for inputting structures in computer systems those formats are not the method of choice since they are not easily and faultlessly readable via optical recognition. In the present study a two-dimensional (PDF417) barcode representation of molecular structures in SMILES format is explored that enables the user to read and input molecular structures into computer systems in a fully automated fashion. A Lempel-Ziv-Welch (LZW) based compressed version of SMILES is suggested for cases where the size of the structure exceeds the storage capacity of PDF417 barcodes. Alternatively, the compact ACS format may be employed as a structural representation. The input via barcodes is fast, practically error free due to the 2D barcodes used which employ error correction and fully automatic. A Web application interface is developed which is able to interpret these barcodes and export them as optimized 3D chemical structures. Applications of this representation range from keeping automated storage systems to Web-based tracking systems of molecular samples. The National Chemical Laboratory, Pune, employs 2D barcode encoded structures for in-house repository management, where barcodes can also be used for querying the database for similar or substructures of the query structure.
}, issn = {1549-9596}, doi = {10.1021/ci049758i}, author = {Karthikeyan, Muthukumarasamy and Bender, Andreas} } @article { ISI:000227710300073, title = {Enhanced selectivity to decalin in naphthalene hydrogenation under supercritical carbon dioxide}, journal = {Chemistry Letters}, volume = {34}, number = {3}, year = {2005}, month = {MAR}, pages = {424-425}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
A charcoal-supported rhodium catalyst was highly active and selective to decalin for the hydrogenation of naphthalene at very low temperature (333 K) under supercritical carbon dioxide.
}, issn = {0366-7022}, doi = {10.1246/cl.2005.424}, author = {Hiyoshi, Norihito and Miura, R. and Rode, C. V. and Sato, O. and Shirai, M.} } @article { ISI:000233825900101, title = {Enhancement of double-layer capacitance behavior and its electrical conductivity in layered poly (3, 4-ethylenedioxythiophene)-based nanocomposites}, journal = {Applied Physics Letters}, volume = {87}, number = {24}, year = {2005}, month = {DEC}, pages = {243511}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
In this letter, we report on the enhanced double-layer capacitance of a layered poly (3, 4-ethylene dioxythiophene) PEDOT-MoO3 nanocomposite, which has been synthesized by a novel microwave irradiation method. The x-ray photoelectron spectroscopy analysis shows the changes in electron density and the shift in binding energy suggesting charge transfer from sulfur atoms upon PEDOT intercalation between MoO3 layers. The room-temperature conductivity for the PEDOT-MoO3 composite is found to be 1.82x10(-1) S cm(-1), which is four orders of magnitude higher than that of the pristine oxide (3.78x10(-5) S cm(-1)). The enhanced double-layer capacitance of the PEDOT-MoO3 nanocomposite (similar to 300 F g(-1)) compared to that (similar to 40 mF g(-1)) of pristine MoO3 is attributed to higher electronic conductivity, enhanced bidimensionality, and increase in surface area of the nanocomposite.
}, issn = {0003-6951}, doi = {10.1063/1.2140468}, author = {Murugan, A. Vadivel and Viswanath, A. K. and Campet, Guy and Gopinath, Chinnakonda S. and Vijayamohanan, K.} } @article { ISI:000226995900011, title = {Entrapment of poly(3,4-ethylenedioxythiophene) between VS2 layers to form a new organic-inorganic intercalative nanocomposite}, journal = {Journal of Materials Chemistry}, volume = {15}, number = {8}, year = {2005}, month = {JAN}, pages = {902-909}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Here we report the synthesis and characterization of a new class of nanocomposite by direct in situ oxidative polymerization of 3,4-ethylenedioxythiophene (EDOT) with VS2 as a host material in the presence of an external oxidizing agent. Upon intercalation, the interlayer spacing of VS2 expands from 5.71 Angstrom to 14.01 Angstrom, followed by exfoliation and a restacking process facilitating expansion of the lattice in a direction perpendicular to the dichalcogenide layers. This change in interlayer separation is consistent with the existence of two phases of organic and inorganic species in the nanocomposites corresponding to the intercalation of PEDOT in the VS2 framework. The resulting nanocomposite is characterized by thermal analysis (TGA), X-ray diffraction, FTIR, SEM, TEM, and four-probe electrical conductivity measurements. The application potential of the nanocomposite as a cathode material for rechargeable lithium batteries is also demonstrated by the electrochemical intercalation of lithium into the PEDOT-VS2 nanocomposite, where a significant enhancement in the discharge capacity is observed (similar to130 mA h g(-1)) compared to that (80 mA h g(-1)) for pristine VS2.
}, issn = {0959-9428}, doi = {10.1039/b414922j}, author = {Murugan, A. Vadivel and Quintin, M. and Delville, M. H. and Campet, Guy and Vijayamohanan, K.} } @article { ISI:000232737900002, title = {Enzymatic hydrolysis of delignified bagasse polysaccharides}, journal = {Carbohydrate Polymers}, volume = {62}, number = {1}, year = {2005}, month = {OCT}, pages = {6-10}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Sugarcane bagasse, consisting of cellulose, xylan, and lignin, was chemically treated to generate bagasse samples with continuously decreasing content of lignin. These bagasse samples were hydrolyzed by cellulase and xylanase enzymes, produced earlier by Penicillium janthinellum NCIM 1171 in the same bagasse polysaccharides production medium. The hydrolysis was carried out by using different concentrations of the enzymes at two different temperatures, 30 and 50 degrees C, taking hydrolysis of Avicel as control. It was found that while the maximum hydrolysis for Avicel was 70\% that of some of the bagasse polysaccharides was as high as 95\%. The products of hydrolysis were glucose, xylose, and arabinose, as confirmed by high pressure ion chromatography (HPIC). It is interesting to note that arabinose, which constitutes about 10\% of the weight of bagasse xylan, could also be released easily by the enzymes. Also, the initial rates of hydrolysis was found to be much higher for the bagasse polysaccharides, and in some cases about 90\% of the hydrolysis occurred within 20 h. Amongst all bagasse samples, the sample with (Kappa no. 1.2, lignin content 0.18\%) gave the highest degree of hydrolysis at 50 degrees C. Even the bagasse polysaccharide with Kappa no. 16.8 (lignin content 2.5\%) underwent greater extent of hydrolysis than Avicel. Apparently, the delignified bagasse medium appears to be a facile medium for the combined hydrolytic action of the cellulase and xylanase enzymes. Considering that sugarcane bagasse is a waste biomass material available in abundance annually, this methodology can be used to value-add to this biomass to produce sugars, which can be fermented to produce biofuels like ethanol. (C) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {bagasse polysaccharides, Cellulase, chemical treatment, Enzymatic hydrolysis, Penicillium janthinellum, Sugarcane bagasse, Xylanase}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2005.07.010}, author = {Adsul, Mukund G. and Ghule, J. E. and Shaikh, H. and Singh, R. and Bastawade, Kulbhushan B. and Gokhale, D. V. and Varma, Anjanikumar} } @article { ISI:000226424000029, title = {Epoxidation of styrene by anhydrous hydrogen peroxide over boehmite and alumina catalysts with continuous removal of the reaction water}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {227}, number = {1-2}, year = {2005}, month = {MAR}, pages = {217-222}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Boehmite and alumina (obtained from the boehmite by its calcination at different temperatures 300-900degreesC) are active and stable catalysts for the selective epoxidation of styrene by anhydrous H2O2 to styrene oxide with continuous removal of the reaction water. Influence of the catalyst (boehemite) calcination temperature, H2O2/styrene ratio and catalyst loading on the styrene conversion and selectivity for styrene oxide. phenyl acetaldehyde. benzaldehyde and benzoic acid in the epoxidation has been investigated. In the presence of water. the catalyst shows very poor activity and selectivity in the epoxidation. The catalyst also catalyses H2O2 decomposition and hence has optimum loading for obtaining high-styrene conversion in the epoxidation. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Alumina, anhydrous hydrogen peroxide, boehmite, Epoxidation of styrene, Styrene oxide}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.10.025}, author = {Choudhary, Vasant R. and Patil, N. S. and Chaudhari, Nitin K. and Bhargava, Suresh Kumar} } @article { ISI:000230023600015, title = {Expedient synthesis of 1,2,3-triazole-fused tetracyclic compounds by intramolecular Huisgen ({\textquoteright}click{\textquoteright}) reactions on carbohydrate-derived azido-alkynes}, journal = {Tetrahedron Letters}, volume = {46}, number = {27}, year = {2005}, month = {JUL}, pages = {4585-4588}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient, practical and convenient synthesis of 1,2,3-triazole-fused tetracyclic compounds was achieved by intramolecular 1,3-dipolar cycloaddition of carbohydrate-derived azido-alkynes. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {carbohydrates, Click chemistry, Cycloaddition, diversity oriented synthesis, Huisgen reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.05.012}, author = {Hotha, Srinivas and Anegundi, Ramakrishna I. and Natu, A. A.} } @article { ISI:000231661800013, title = {Expeditious convergent synthesis of a dibromotyrosine alkaloid inhibitor of mycothiol-S-conjugate amidase}, journal = {Tetrahedron Letters}, volume = {46}, number = {38}, year = {2005}, month = {SEP}, pages = {6461-6463}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A quick, economic synthesis of the alkaloid 1, an inhibitor of mycothiol-S-conjugate amidase (MCA) is reported. Starting from low-cost, commercially available 4-hydroxybenzaldehyde, the nine-step synthesis involved dibromination and coupling with N-acetylglycine to give a stable methyloxazole intermediate 5 which was hydrolyzed, oximated and coupled to agmatine to yield the oxime in -30\% overall yield. It was not necessary to protect the oxime in the synthetic sequence thereby circumventing a deprotection step. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {4-hydroxybenzaldehyde, marine alkaloid, mycothiol-S-conjugate amidase}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.07.109}, author = {Chanda, B. M. and Sulake, R. S.} } @article { ISI:000229118100006, title = {Extracellular biosynthesis of bimetallic Au-Ag alloy nanoparticles}, journal = {Small}, volume = {1}, number = {5}, year = {2005}, month = {MAY}, pages = {517-520}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, keywords = {alloys, Biosynthesis, composites, enzymes, Nanoparticles}, issn = {1613-6810}, doi = {10.1002/smll.200400053}, author = {Senapati, S. and Ahmad, Absar and Khan, Mohammad Islam and Sastry, M. and Kumar, R.} } @article { ISI:000225723800036, title = {Extracellular nuclease from a thermophile, streptomyces thermonitrificans: production, purification and partial characterization of - double strand preferential - deoxyribonuclease activity}, journal = {Process Biochemistry}, volume = {40}, number = {3-4}, year = {2005}, month = {MAR}, pages = {1271-1278}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A thermophilic strain of Streptomyces themionitrificans produced high levels of extracellular nuclease (designated as nuclease Stn beta) when grown on nutrient broth glucose medium. Maximal nuclease activity (51 U ml(-1)) was obtained, in 40 h, when the culture was grown on modified NBG medium at 45 degreesC. The enzyme was purified to homogeneity with an overall recovery of 5.6\% and a specific activity of 10,833. The relative molecular mass of the purified enzyme, determined by gel filtration, was 22.4 kDa and it showed an obligate requirement for Mn2+ for activity. The optimum pH and temperature of nuclease Stn beta were 8.0 and 45 degreesC, respectively. The enzyme was inhibited by Mg2+ CO2+, Cu2+, Zn2+ and Hg2+, inorganic phosphate, pyrophosphate, dithiothreitol, beta-mereaptoethanol, EDTA and NaCl. Nuclease Stn beta was stable to high concentrations of urea and organic solvents but susceptible to low concentrations of SDS and guanidine hydrochloride. Nuclease Stn beta is a multifunctional enzyme with substrate specificity in the order of dsDNA \> ssDNA much greater than RNA. The end products of dsDNA hydrolysis were predominantly oligonucleotides (85-90\%) and small amounts of 5{\textquoteright} mononucleotides (10-15\%) suggesting an endo mode of action. (C) 2004 Elsevier Ltd. All rights reserved.
}, keywords = {Characterization, Endonuclease, extracellular nuclease, production, Purification, Streptomyces thermonitrificans}, issn = {1359-5113}, doi = {10.1016/j.procbio.2004.05.015}, author = {Patil, N. S. and Deshmukh, Satej S. and Shankar, V.} } @article { ISI:000205747600006, title = {Extra-/intracellular biosynthesis of gold nanoparticles by an alkalotolerant fungus, trichothecium sp.}, journal = {Journal of Biomedical Nanotechnology}, volume = {1}, number = {1}, year = {2005}, month = {MAR}, pages = {47-53}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
The development of reliable, eco-friendly processes for the synthesis of nanoscale materials is an important aspect of nanotechnology. As part of our ongoing investigation into the use of fungi for nanoparticle synthesis, we report herein that depending on the reaction conditions of the fungus Trichothecium sp. with aqueous gold ions, gold nanoparticle synthesis can be controlled to occur either within the biomass or extracellularly. Moreover, we have found that reaction of gold ions with the Trichothecium sp. fungal biomass under stationary conditions results in the rapid extracellular formation of gold nanoparticles of spherical, rod-like and triangular morphology whereas reaction of the biomass under shaking conditions resulted in intracellular growth of the nanoparticles. It is believed that on changing the reaction conditions of the fungus with gold ions, the enzymes and proteins which are being released into the medium under stationary conditions do not get released under shaking conditions resulting in the formation of extracellular or intracellular gold nanoparticles respectively. The gold nanoparticles are not toxic to the cells and the cells continued to grow after the biosynthesis of the gold nanoparticles in both the cases.
}, keywords = {Biosynthesis, enzymes, Fungus, Gold, Morphology Control, Nanoparticles}, issn = {1550-7033}, doi = {10.1166/jbn.2005.012}, author = {Ahmad, Absar and Senapati, Satyajyoti and Khan, Mohammad Islam and Kumar, Rajiv and Sastry, Murali} } @article { ISI:000233214300008, title = {Facile direct conversion of aldehydes to esters and amides using acetone cyanohydrin}, journal = {Tetrahedron Letters}, volume = {46}, number = {48}, year = {2005}, month = {NOV}, pages = {8303-8306}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Aromatic aldehydes with electron-withdrawing groups undergo rapid reactions with a variety of alcohols and secondary amines to afford the corresponding esters and amides, respectively, in high yields, when treated with NaCN or acetone cyanohydrin and base under ambient reaction conditions. In case of alpha,beta-unsaturated aldehydes, simultaneous reduction of the C=C bond along with esterification occurred to produce the saturated esters in high yields. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {amidation, esteritication, reduction, sodium cyanide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.09.173}, author = {Raj, I. V. P. and Sudalai, A.} } @article { ISI:000229476800007, title = {Facile oxidation of flavanones to flavones using [hydroxy(tosyloxy)iodo]benzene in an ionic liquid}, journal = {Mendeleev Communications}, volume = {15}, number = {3}, year = {2005}, month = {MAY}, pages = {100-101}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A method for the oxidation of flavationes to flavones has been developed using [hydroxy(tosyloxy)iodo] benzene (HTIB) in the room-temperature ionic liquid 1,3-di-n-butylimidazolium bromide ([bbim]Br-+(-)).
}, issn = {0959-9436}, doi = {10.1070/MC2005v015n03ABEH001997}, author = {Muthukrishnan, Murugan and Patil, P. S. and More, Shivaji V. and Joshi, Ramesh A.} } @article { ISI:000228951700012, title = {Facile regioselective decomposition of tosylhydrazones: an application towards the synthesis of alpha-lipoic acid}, journal = {Synlett}, number = {7}, year = {2005}, month = {MAY}, pages = {1129-1132}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A facile regioselective decomposition of tosylhydrazones using NaOH as a base in refluxing isopropyl alcohol is described. This finding has been Successfully applied towards the synthesis of (\&PLUSMN;)-α-lipoic acid (1).
}, keywords = {alpha-lipoic acid, Olefins, Regioselectivity, tosylhydrazones}, issn = {0936-5214}, doi = {10.1055/s-2005-865217}, author = {Chavan, Subhash P. and Kale, R. R. and Pasupathy, K.} } @article { ISI:000231847000003, title = {Facile synthesis of rubrolide E}, journal = {Synthesis-Stuttgart}, number = {14}, year = {2005}, month = {SEP}, pages = {2284-2286}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A simple and efficient synthesis of rubrolide E (1e) has been demonstrated via Meerwein coupling reaction of para-anisyl-diazonium chloride with N-phenylmaleimide (2), regioselective reduction of para-anisylmaleic anhydride (4), Knoevenagel condensation of butyrolactone 5 with para-anisaldehyde and demethylation pathway.
}, keywords = {Knoevenagel condensation, Meerwein coupling, N-phenylmaleimide, regioselective reduction, rubrolide E, Total synthesis}, issn = {0039-7881}, doi = {10.1055/s-2005-869995}, author = {Kar, Anirban and N. P. Argade} } @article { ISI:000226532100006, title = {Factors affecting activation and utilization of carbon dioxide in cyclic carbonates synthesis over Cu and Mn peraza macrocyclic complexes}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {226}, number = {2}, year = {2005}, month = {FEB}, pages = {199-205}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The catalytic activities of several Cu and Mn aza complexes for cyclic carbonate synthesis from CO2 and epoxides are reported. The various factors affecting activation of CO2 by metal complexes and its utilization in cyclic carbonate synthesis have been investigated. Fr-IR, UV-vis and EPR spectroscopic investigations reveal that CO2 coordinates to Cu in eta(1)-C mode of coordination. Nature of the ligand and substitution influence the lability of metal-CO2 bonding. The differences in the catalytic activities are correlated with the mode and strength of CO2 binding. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {benign synthesis, Carbon dioxide, catalysis by Cu and Mn complexes, CO2 activation, CO2 fixation, CO2 utilization, cyclic carbonates, polycarbonates, spectroscopy}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.10.034}, author = {Srivastava, R. and Bennur, T. H. and Srinivas, D.} } @article { ISI:000228147400027, title = {First enantiospecific synthesis of (+)-beta-herbertenol}, journal = {Tetrahedron}, volume = {61}, number = {15}, year = {2005}, month = {APR}, pages = {3873-3879}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The first enantiospecific synthesis of (+)-beta-herbertenol, from naturally occurring R-(+)-citronellal, employing Taber{\textquoteright}s diazo decomposition protocol as the key step, is described. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {citronellal, diazo decomposition, enantiospecific}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.050}, author = {Chavan, Subhash P. and Thakkar, M. and Kharul, Rajendra K. and Pathak, A. B. and Bhosekar, Gaurav V. and Bhadbhade, Mohan M.} } @article {43217, title = {First synthesis of a noreremophilane isolated from the roots of ligularia przewalskii}, journal = {Tetrahedron Letters}, volume = {46}, year = {2005}, month = {AUG}, pages = {5211-5213}, abstract = {
The total synthesis of a natural product noreremophilane has been achieved in just three steps from readily available starting materials. A highly stereo- and regio-selective Diels-Alder reaction was the key step in Our synthesis. (c) 2005 Elsevier Ltd. All rights reserved.
}, doi = {10.1016/j.tetlet.2005.05.130}, author = {Reddy, D. Srinivasa and Palani, K. and Balasubrahmanyam, D. and Kamath, V. B. and Iqbal, Javed} } @article { ISI:000227158100004, title = {Formation of BaCrO4 nano crystallites within thermally evaporated sodium bis-2-ethylhexyl-sulfosuccinate and stearic acid thin films}, journal = {Journal of the American Ceramic Society}, volume = {88}, number = {1}, year = {2005}, month = {JAN}, pages = {24-27}, publisher = {AMER CERAMIC SOC}, type = {Article}, address = {735 CERAMIC PLACE, PO BOX 6136, WESTERVILLE, OH 43086-6136 USA}, abstract = {
This paper describes the growth of barium chromate (BaCrO4) nanocrystallites within thermally evaporated thin films of stearic acid (StA) and sodium bis-2-ethylhexyl-sulfosuccinate by a process of Ba2+ ion entrapment followed by in situ reaction CrO42- ions. Dense spherical assemblies of BaCrO4 nanocrystallites of very uniform size (similar to50 nm) were obtained within the two different host matrices. The spherical assemblies were composed of smaller (ca. 5-10 nm size) BaCrO4 crystals indicating that efficient size control over crystal size may be exercised by the matrix. Contact angle measurements of the BaCrO4-StA and BaCrO4-sodium bis-2-ethylhexyl-sulfosuccinate films indicated that they were hydrophobic, thus pointing to the possible role of hydrophobic interaction between the StA and sodium bis-2-ethylhexyl-sulfosuccinate monolayer-covered BaCrO4 crystals in the assembly process.
}, issn = {0002-7820}, doi = {10.1111/j..1551-2916}, author = {Rautaray, D. and Sinha, K. and Sainkar, S. R. and Pasricha, R. and Pavaskar, N. R. and Sastry, M.} } @article { ISI:000232815700010, title = {Formation of nanosized zirconia-supported 12-tungstophosphoric acid in mesoporous silica SBA-15: a stable and versatile solid acid catalyst for benzylation of phenol}, journal = {Journal of Catalysis}, volume = {235}, number = {2}, year = {2005}, month = {OCT}, pages = {341-352}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
A nanosized zirconia-supported 12-tungstophosphoric acid (TPA) in SBA-15 composite was prepared by wet impregnation of TPA/ZrO2 nanoparticles inside the mesoporous channels of SBA-15. The resulting composite material was calcined at 1123 K and characterized by elemental analysis, powder X-ray diffraction, nitrogen adsorption isotherms, transmission electron microscopy (TEM), scanning electron microscopy (SEM), solid-state P-31 CP-MAS NMR, Si-29 MAS NMR, UV-vis diffuse reflectance spectra, FTIR, TPD of ammonia, FTIR pyridine adsorption, and thermogravimetric analysis (TG-DTG). The synthesized TPA/ZrO2/SBA-15 showed a well-ordered hexagonal inesoporous structure and mesoporous support SBA-15 stabilized ZrO2-t (tetragonal) phase with crystal size in the range of 3-4 nm. SBA-15 was a better support than MCM-41 and MCM-48 because it retained its mesostructure even after high TPA loading and high calcination temperatures. Mesoporous silica support plays an important role in stabilizing the catalytically active tetragonal phase of zirconia, which gave the most active catalysts. The catalysts were examined for their catalytic activities in the liquid phase benzylation of phenol with benzyl alcohol and the catalyst 15 wt\% TPA/ 22.4 wt\% ZrO2/SBA-15 calcined at 1123 K was found to have high acidity and to be 10 times more active than neat TPA/ZrO2 Under the reaction conditions studied in benzylation of phenol. (c) 2005 Elsevier Inc. All rights reserved.
}, keywords = {nanosized, phenol benzylation reaction, terragonal phase, TPA/ZrO2}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.08.010}, author = {Sawant, D. P. and Vinu, A. and Jacob, Nalini E. and Lefebvre, F. and Halligudi, Shivappa B.} } @article { ISI:000233789900025, title = {Free-standing nanogold membranes as supports for the growth of calcium phosphate crystals}, journal = {Biotechnology Progress}, volume = {21}, number = {6}, year = {2005}, month = {NOV}, pages = {1759-1767}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Current strategies for bone tissue regeneration focus on the development of implantable matrices that mimic biological tissues. Inorganic composites are of special interest for bone substitute applications. It is necessary to create an artificial three-dimensional scaffold-like porous material with certain geometrical structure to induce bone growth. We report here the growth of calcium phosphate crystals on free-standing carboxylic acid functionalized gold nanoparticle membranes. The gold nanoparticle membrane is synthesized by the spontaneous reduction of aqueous chloroaurate ions by a diamine molecule at a liquid-liquid interface. This membrane is robust and malleable, and most importantly, the gold nanoparticles in the membrane may be functionalized with suitable ligands. In this study, the amino acids aspartic acid and cysteine together with an aromatic bifunctional molecule, anthranilic acid, were used to modify the surface of the gold nanoparticles in the membrane. The free carboxylic acid groups on the gold nanoparticles further to functionalization with these molecules were then used to bind Ca2+ ions and reacted with phosphate ions to yield calcium phosphate. The nature of the nanogold surface modifier directed the formation of either crystalline hydroxyapatite or amorphous calcium phosphate. The nanogold membrane thus suggests potential biomedical application as biocompatible implants and grafts.
}, issn = {8756-7938}, doi = {10.1021/bp050144n}, author = {Rautaray, D and Sastry, M} } @article { ISI:000229066800041, title = {Functional copolymers of p-cumyl phenyl methacrylate and glycidyl methacrylate: synthesis, characterization, and reactivity ratios}, journal = {Journal Applied Polymer Science}, volume = {97}, number = {1}, year = {2005}, month = {JUL}, pages = {336-347}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Free-radical polymerization of p-cumyl phenyl methacrylate (CPMA) was performed in benzene using bezoyl peroxide as an initiator at 80\&DEG; C. The effect of time on the molecular weight was studied. Functional copolymers of CPMA and glycidyl methacrylate (GMA) with different feed ratios were synthesized by free-radical polymerization in methyl ethyl ketone at 70\&DEG; C, and they were characterized by FTIR and H-1-NMR spectroscopy. The molecular weights and polydispersity indexes of the polymers and copolymers were determined by gel permeation chromatography. The copolymer composition was determined by H-1-NMR. The glass-transition temperature of the polymer and the copolymers was determined by differential scanning calorimetry. The reactivity ratios of the monomers were determined by the Fineman-Ross and Kelen-Tudos methods. {\textcopyright} 2005 Wiley Periodicals, Inc.
}, keywords = {copolymerization, functionalization of polymers, glass-transition, synthesis}, issn = {0021-8995}, doi = {10.1002/app.21732}, author = {Ratnaprabha, K. and Daliya, P. K.} } @article { ISI:000230286900008, title = {Fungus-mediated biosynthesis of silica and titania particles}, journal = {Journal of Materials Chemistry}, volume = {15}, number = {26}, year = {2005}, month = {MAY}, pages = {2583-2589}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The synthesis of inorganic materials by biological systems is characterized by processes that occur at close to ambient temperatures, pressures and neutral pH. This is exemplified by biosilicification in marine organisms such as diatoms while laboratory-based synthesis of silica involves extreme temperature and pH conditions. We show here that silica and titania particles may be produced by challenging the fungus Fusarium oxysporum with aqueous anionic complexes SiF62- and TiF62- respectively. Extra-cellular protein-mediated hydrolysis of the anionic complexes results in the facile room temperature synthesis of crystalline titania particles while calcination at 300 degrees C is required for crystallization of silica.
}, issn = {0959-9428}, doi = {10.1039/b503008k}, author = {Bansal, Vipul and Rautaray, D. and Bharde, Atul A. and Ahire, Kedar C. and Sanyal, A. and Ahmad, Absar and Sastry, Murali} } @article { ISI:000227864000011, title = {Gas-liquid flow generated by a Rushton turbine in stirred vessel: CARPT/CT measurements and CFD simulations}, journal = {Chemical Engineering Science}, volume = {60}, number = {8-9}, year = {2005}, note = {5th International Symposium on Mixing in Industrial Processes, Seville, SPAIN, JUN 01-04, 2004}, month = {APR}, pages = {2215-2229}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In this work, computer-automated radioactive particle tracking (CARPT), computed tomography (CT) and computational fluid dynamic (CFD) based models were used to investigate gas-liquid flow generated by a Rushton turbine. CARPT and CT measurements were carried out in a gas-liquid stirred vessel operating in two different flow regimes and captured the quantitative Eulerian information of gas-liquid flow. The CARPT data was then used to extract the circulation tune distribution in a vessel. A two-fluid model along with the standard k-epsilon turbulence model was used to simulate the dispersed gas-liquid flow in a stirred vessel. Appropriate drag corrections to account for bulk turbulence (along the lines proposed by Brucato et al. (Chem. Eng. Sci. 45(1998) 3295)) were developed to correctly simulate different flow regimes. The computational snapshot approach was used to simulate impeller rotation and was implemented in the commercial CFD code, FLUENT4.5 (of Fluent. Inc., USA). Most model predictions compared favourably with CARPT and CT measurements. Validated CFD models as attempted in this paper are promising to simulation of industrial stirred vessels. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {CARPT, CFD, CT, gas-liquid flow, stirred vessel}, issn = {0009-2509}, doi = {10.1016/j.ces.2004.11.044}, author = {Khopkar, A. R. and Rammohan, A. R. and Ranade, V. V. and Dudukovic, M. P.} } @article { ISI:000228094400009, title = {Gene expression patterns of helicoverpa armigera gut proteases}, journal = {Insect Biochemistry and Molecular Biology}, volume = {35}, number = {4}, year = {2005}, month = {APR}, pages = {355-367}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Relative quantification of reported gut proteinase cDNAs from Helicoverpa armigera larvae fed on various host plants (cotton, chickpea, pigeonpea, tomato and okra), non-host plant Pis (winged bean, bitter gourd, ground nut, and capsicum) and during larval development has been carried out using semi-quantitative RT-PCR. Five trypsin-like and three chymotrypsin-like proteinases were categorized as insensitive or sensitive to most of the proteinase inhibitors (Pis) and insensitive/sensitive to specific Pis based on their expression analysis. These results were supported by amino acid sequence analysis, where diverged amino acids were observed in the regions, which are reported to be involved in typical trypsin trypsin inhibitor interactions and critical for proteinase inhibitor resistance. Among exopeptidases (five aminopeptidase and three carboxypeptidase), HaAmi4 and HaAmi5 of aminopeptidase and HaCar1 of carboxypeptidase exhibited considerable differential expression. Elastase and cathepsin B-like proteinases were expressed at negligible levels. The proteases identified in the study would be ideal candidates for further interactions studies with protease inhibitors to understand the structural reasons of protease inhibitor insensitivity (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {expression, gut proteinases, Helicoverpa armigera, Proteinase inhibitors, RT-PCR}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2005.01.006}, author = {Chougule, Nanasaheb P. and Giri, Ashok P. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000230485700031, title = {General formalism of the Fock space multireference coupled cluster method for investigating molecular electronic resonances}, journal = {Molecular Physics}, volume = {103}, number = {15-16}, year = {2005}, month = {AUG}, pages = {2267-2275}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Electron correlation and relaxation effects play a substantial role in the formation and decay of resonance states. In this paper we formulate a complex absorbing potential combined with the Fock space multireference coupled cluster method for the correlated calculations of resonance energy and width. This can describe the dynamic and non-dynamic electron correlation efficiently in the ionized or electron attached states.
}, keywords = {electronic resonances, Fock space multireference coupled cluster method}, issn = {0026-8976}, doi = {10.1080/00268970500084158}, author = {Sajeev, Y and Pal, S} } @article { ISI:000230551600007, title = {General kinetic model framework for the interpretation of adiabatic calorimeter rate data}, journal = {Chemical Engineering Journal}, volume = {110}, number = {1-3}, year = {2005}, month = {JUN}, pages = {67-78}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Notwithstanding the variety and complexity of the reactions studied by adiabatic calorimeters like ARC, the data interpretation techniques are not general enough. Traditional thermokinetic analysis primarily lumps a complex multi-step reaction into a single overall reaction and ignores possible thermal effects in some of the possible side reactions. With detailed chromatographic/mass spectrometric analysis of the headspace gases and the condensed phase residues, the pressure profile becomes an additional source of identification of the mechanism and the kinetics of the overall reaction. Finally, in the context of new multiphase catalytic processes of greater efficiency and environment friendliness and with reference to the storage of potentially incompatible fluid mixtures in metallic containers, ARC studies of heterogeneous reaction systems are becoming part of the mandatory safety evaluations. With a few additional measurements a proper kinetic interpretation of the ARC data on such systems seems possible. The paper presents a general model that was shown to be easily adaptable to a number of published reactions of various complexities referred to above. Standard thermal hazard characteristics like the onset temperature, adiabatic temperature rise, self-heat rate, time-to-maximum rate, pressure-temperature profile, etc. could be accurately calculated by the model and these compared closely with the experimental data. It is hoped that the model would be useful as a general-purpose tool for the interpretation of adiabatic calorimetric data for the purpose of process hazard assessment. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {accelerating rate calorimeters (ARC), Kinetic modeling, MOC (material of construction) incompatibility in storage, multi-step reactions, runaway reactions}, issn = {1385-8947}, doi = {10.1016/j.cej.2005.05.003}, author = {Bhattacharya, Arijit} } @article { ISI:000229384000006, title = {General melting point prediction based on a diverse compound data set and artificial neural networks}, journal = {Journal of Chemical Information and Modeling}, volume = {45}, number = {3}, year = {2005}, month = {MAY}, pages = {581-590}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report the development of a robust and general model for the prediction of melting points. It is based on a diverse data set of 4173 compounds and employs a large number of 2D and 3D descriptors to capture molecular physicochemical and other graph-based properties. Dimensionality reduction is performed by principal component analysis, while a fully connected feed-forward back-propagation artificial neural network is employed for model generation. The melting point is a fundamental physicochemical property of a molecule that is controlled by both single-molecule properties and intermolecular interactions due to packing in the solid state. Thus, it is difficult to predict, and previously only melting point models for clearly defined and smaller compound sets have been developed. Here we derive the first general model that covers a comparatively large and relevant part of organic chemical space. The final model is based on 2D descriptors, which are found to contain more relevant information than the 3D descriptors calculated. Internal random validation of the model achieves a correlation coefficient of R-2 = 0.661 with an average absolute error of 37.6 degrees C. The model is internally consistent with a correlation coefficient of the test set of Q(2) = 0.658 (average absolute error 38.2 degrees C) and a correlation coefficient of the internal validation set of Q(2) = 0.645 (average absolute error 39.8 degrees C). Additional validation was performed on an external drug data set consisting of 277 compounds. On this external data set a correlation coefficient of Q(2) = 0.662 (average absolute error 32.6 degrees C) was achieved, showing ability of the model to generalize. Compared to an earlier model for the prediction of melting points of druglike compounds our model exhibits slightly improved performance, despite the much larger chemical space covered. The remaining model error is due to molecular properties that are not captured using single-molecule based descriptors, namely both inter- and intramolecular interactions and crystal packing, for which examples of and reasons for outliers are given.
}, issn = {1549-9596}, doi = {10.1021/ci0500132}, author = {Karthikeyan, Muthukumarasamy and Glen, R. C. and Bender, Andreas} } @article { ISI:000231389200051, title = {Gold nanoparticle networks with photoresponsive interparticle spacings}, journal = {Langmuir}, volume = {21}, number = {17}, year = {2005}, month = {AUG}, pages = {7979-7984}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Photoresponsive gold nanoparticle networks were prepared by functionalizing them with azobenzene derivatives. A network can be formed when a linker molecule constituting the azobenzene moiety suitably derivatized on either side with gold surface sensitive groups such as thiols and amines is added to the nanoparticle solution. It is shown that the interparticle spacing in the networks could be controlled by the reversible trans-cis isomerization of the azobenzene moiety induced by UV and visible light, respectively. The photoinduced variation in the interparticle spacings is inferred by the changes in the optical spectra of the gold nanoparticles which display a red or blue shift in the surface plasmon resonance peak depending on a decrease or increase in the interparticle spacing, respectively. Transmission electron microscopy images are in consonance with the evidence from the optical spectra.
}, issn = {0743-7463}, doi = {10.1021/la051125q}, author = {Sidhaye, D. S. and Kashyap, Sudhir and Sastry, M. and Hotha, Srinivas and Bhagavatula L. V. Prasad} } @article { ISI:000228531500004, title = {Gold nanotriangles biologically synthesized using tamarind leaf extract and potential application in vapor sensing}, journal = {Synthesis and Reactivity in Inorganic Metal-Organic and Nano-Metal Chemistry}, volume = {35}, number = {1}, year = {2005}, month = {FEB}, pages = {19-26}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
The size and shape dependent electronic and chemical properties of metal nanoparticles has drawn the attention of chemists, physicists, biologists, and engineers who wish to use them for the development of new generation nanodevices. In this article, we report the synthesis of gold nanotriangles using tamarind leaf extract as the reducing agent. On treating aqueous chloroauric acid solution with tamarind leaf extract, rapid reduction of the chloroaurate ions is observed leading to the formation of flat and thin single crystalline gold nanotriangles. Atomic force microscopy analysis of the gold nanotriangles indicated that they ranged in thickness from 20 to 40 nm. These gold nanotriangles with unique and highly anisotropic planer shapes might find application in photonics, optoelectronics, and optical sensing. We investigated the effect of different organic solvent vapors like methanol, benzene and acetone on the conductivity of tamarind leaf extract reduced gold nanotriangles. I-V characteristics measurement of these nanotriangles was done in presence of these organic solvent vapors. The observed characteristics suggest the application of gold nanotriangles to future chemical sensors.
}, keywords = {Biosynthesis, gold nanotriangles, tamarind leaf, vapor sensing}, issn = {1553-3174}, doi = {10.1081/SIM-200047527}, author = {Ankamwar, Balaprasad and Chaudhary, M and Sastry, M} } @article { ISI:000227170600016, title = {Gradual transitions in morphology of diamond films grown by using N-2 admixtures of CH4+H-2 gas in a hot filament assisted chemical vapour deposition system}, journal = {Diamond and Related Materials}, volume = {14}, number = {2}, year = {2005}, month = {FEB}, pages = {232-242}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A study of the evolution of morphology of diamond films grown as a function of N-2 gas additions to the CH4+H-2 precursor in an HF-CVD system is presented. With the increase of admixture of N2 fraction, in contrast to earlier studies, the morphology was observed first to gradually change from {111}-faceted crystallites texture to that of an intermediate cubo-octahedral crystallite texture and then gradually but finally to transform completely into that of {100}-faceted crystallites. The threshold nitrogen concentration, [N-2](thr), required to bring about the said transition in morphology was much larger than it was reported previously. Moreover, the morphology transition required a larger [N-2](thr) when a large fraction of methane was employed. Further additions of nitrogen, that just exceeded the [N-2](thr), resulted in growth of films containing slightly bigger {100}-multi-layered grains or isolated planar {100}-platelets. For extremely large nitrogen additions, the growth of nanocrystalline or amorphous carbon films was observed. The N-2 additions more than 50 vol.\% did not yield any deposition. Raman scattering and photoluminescence measurements were used respectively for characterizing the quality and nitrogen doping in the films. These results are attributed to the possible catalytic role of atomic nitrogen at the growing surface. (C) 2005 Elsevier B.V. All rights reserved.
}, keywords = {diamond film, hot filament CVD, morphology transitions, nitrogen}, issn = {0925-9635}, doi = {10.1016/j.diamond.2004.11.042}, author = {Kshirsagar, S. T. and Kshirsagar, R. B. and Patil, P. S. and Kulkarni, A. and Mandate, A. B. and Gaikwad, A. B. and Gokhale, Suresh P.} } @article { ISI:000226545600002, title = {Green nanocomposites from renewable resources: effect of plasticizer on the structure and material properties of clay-filled starch}, journal = {Starch-Starke}, volume = {57}, number = {1}, year = {2005}, month = {JAN}, pages = {8-15}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Nanocomposites of starch were prepared via different addition sequences of plasticizer and clay by the solution method. The extent of dispersion of the filler was evaluated by wide angle X-ray diffractometry (WAXD) in the resulting composites. Thermal stability, mechanical properties and water absorption studies were conducted to measure the material properties whereas FT-IR spectroscopy was used to study the microdomain structure of composites. The sequence of addition of components (starch/plasticizer (glycerol)/clay) had a significant effect on the nature of composites formed and accordingly properties were altered. Glycerol and starch both have the tendency to penetrate into the silicate layers but penetration of glycerol is favored owing to its smaller molecule size. The filler dispersion becomes highly heterogeneous and the product becomes more brittle when starch was plasticized before filling with clay due to the formation of a bulky structure resulting from electrostatic attractions between starch and plasticizer. It was concluded that best mechanical properties can be obtained if plasticizer is added after mixing of clay in the starch matrix.
}, keywords = {clay-filled starch, effect of plasticizer, Nanocomposites, WAXD}, issn = {0038-9056}, doi = {10.1002/star.200400313}, author = {Pandey, JK and Singh, RP} } @article { ISI:000232775100003, title = {Green process for chlorine-free benzaldehyde from the solvent-free oxidation of benzyl alcohol with molecular oxygen over a supported nano-size gold catalyst}, journal = {Green Chemistry}, volume = {7}, number = {11}, year = {2005}, month = {OCT}, pages = {768-770}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Benzyl alcohol is oxidized selectively to benzaldehyde with high yield, with a little formation of benzylbenzoate, by molecular oxygen over a reusable nano-size gold catalyst supported on U3O8, MgO, Al2O3 or ZrO2 in the absence of any solvent.
}, issn = {1463-9262}, doi = {10.1039/b509003b}, author = {Choudhary, Vasant R. and Dhar, A. and Jana, Prabhas and Jha, Rani and Uphade, B. S.} } @article { ISI:000232864800021, title = {Growth kinetics and thermodynamic stability of octadecyltrichlorosilane self-assembled monolayer on Si (100) substrate}, journal = {Materials Letters}, volume = {59}, number = {29-30}, year = {2005}, month = {DEC}, pages = {3890-3895}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We have studied the growth kinetics and thermodynamic stability of octadecyltrichlorosilane (OTS) self-assembled monolayers on Si (100) substrate in order to understand its role in controlling the adhesion and surface hydrophobicity. Time-dependent contact angle measurements, using water as a function of OTS concentration, show rapid monolayer formation in the initial stage followed by a slow attainment of full coverage and the overall kinetics approximately follows the Langmuir adsorption isotherm. The adsorption rate constant (k(a) = 150 M-1 s(-1)) is found to be significantly greater than the desorption rate constant (k(d) = 0.156 s(-1)) while the Gibbs free energy (Delta G(ads)) change amounts to -4.2 kcal/mol suggesting thermodynamic stability of OTS monolayer on a silicon surface. Partial monolayer formation by a {\textquoteleft}uniform{\textquoteright} growth mechanism, even at low coverage, is revealed by atomic force microscopy (AFM) in conjunction with grazing angle FTIR spectroscopy. Analysis of the interfacial adhesion properties using Zisman plot suggests a critical surface tension (gamma(c)) of 20.7 dyn/cm for OTS monolayer on Si (100) surface. (C) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Gibbs{\textquoteright}s free energy (AG), growth kinetics, octadecyltrichlorosilane (OTS), self-assembled monolayers (SAMs), Zisman plot}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.07.026}, author = {Kulkarni, S. A. and Mirji, S. A. and Mandale, A. B. and Gupta, R. P. and Vijayamohanan, K. P.} } @article { ISI:000230823200014, title = {Growth of PbS nanopyramidal particulate films for potential applications in quantum-dot photovoltaics and nanoantennas}, journal = {Materials Research Bulletin }, volume = {40}, number = {8}, year = {2005}, month = {AUG}, pages = {1353-1360}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We report a simple interfacial process called the liquid-liquid interface reaction technique (LLIRT) that leads to the formation of nanosized PbS particulate films with hitherto unreported pyramidal morphology. The resultant PbS films were characterized by transmission electron microscopy (TEM) with selected area electron diffraction (SAED), X-ray diffractometery (XRD), atomic force microscopy (AFM), near field scanning optical microscopy (NSOM) and UV-vis spectroscopy. The pyramidal morphology is speculated to originate from the preferred orientation of the 2 2 0 plane of cubic PbS. Our nanopyramidal PbS particulate films display remarkably sharp excitonic peak centered around 656 nm that accounts for a band gap of 1.8 eV suggesting, in turn, their potential application in QD photovoltaics. Interestingly, the feasibility of such nanopyramids to potentially act as nanoantennas (as revealed by the NSOM) is also suggested. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Atomic force microscopy, Chemical synthesis, Electron microscopy, Nanostructures, Optical properties}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2005.04.018}, author = {Hawaldar, Ranjit R. and Mulik, Uttam P. and Patil, K. and Pasricha, R. and Sathaye, S. and Lewis, A. and Amalnerkar, Dinesh P.} } @article { ISI:000230839600024, title = {Heavy-metal remediation by a fungus as a means of production of lead and cadmium carbonate crystals}, journal = {Langmuir}, volume = {21}, number = {16}, year = {2005}, month = {AUG}, pages = {7220-7224}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We show here that reaction of the fungus, Fusarium oxysporum, with the aqueous heavy-metal ions Pb2+ and Cd2+ results in the one-step formation of the corresponding metal carbonates. The metal carbonates are formed by reaction of the heavy-metal ions with CO2 produced by the fungus during metabolism and thus provide a completely biological method for production of crystals of metal carbonates. The PbCO3 and CdCO3 crystals thus produced have interesting morphologies that are shown to arise because of interaction of the growing crystals with specific proteins secreted by the fungus during reaction. An additional advantage of this approach is that the reaction leads to detoxification of the aqueous solution and could have immense potential for bioremediation of heavy metals. Under conditions of this study, the metal ions are not toxic to the fungus, which readily grows after exposure to the metal ions.
}, issn = {0743-7463}, doi = {10.1021/la047132g}, author = {Sanyal, A. and Rautaray, D. and Bansal, Vipul and Ahmad, Absar and Sastry, Murali} } @conference { ISI:000227460600024, title = {High magnetic aspects of nanosized NiZn ferrite powders synthesized by an autocombustion method}, booktitle = {9th International Conference on Ferrites (ICF-9)}, year = {2005}, note = {9th International Conference on Ferrites (ICF-9), San Francisco, CA, AUG 22-27, 2004}, month = {AUG}, pages = {149-154}, publisher = {Amer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USA}, organization = {Amer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USA}, address = {San Francisco, CA}, abstract = {
Nanocrystalline NiZn ferrite, Ni0.5Zn0.5Fe2O4, having particle size in the range 6-10 mn, has been synthesized by an auto-combustion method. The nanosized ferrite powder formed at a low temperature is annealed at different temperatures in the range 473-1273 K and characterized by X-ray diffraction, vibrating sample magnetometry, Mossbauer spectroscopy, transmission electron microscopy and scanning electron microscopy. Magnetic transition temperature broadening up to 773 K is observed for the nanosized sample, compared to the T-c = 563 K for the bulk material. Critical particle diameter (D-c) is found to be similar to 40 nm at which maximum coercivity is obtained for the powder sample annealed at 973 K. Similarly, high room temperature magnetization, comparable to that of the bulk material, is obtained for the powders annealed at 1073 K, with a maximum particle size of similar to 50 nm. Very little grain growth is observed for the powders annealed above 1073 K. The results show that, optimum magnetic properties can be achieved for fine particle NiZn ferrite powders synthesized by a low-temperature auto-combustion method and processed at relatively lower temperatures.
}, isbn = {1-57498-218-4}, author = {Deka, Sasanka and Date, Sadgopal K. and Joy, Pattayil Alias}, editor = {Soohoo, R. F.} } @article { ISI:000233684200006, title = {Higher accumulation of proteinase inhibitors in flowers than leaves and fruits as a possible basis for differential feeding preference of Helicoverpa armigera on tomato (Lycopersicon esculentum Mill, Cv. Dhanashree)}, journal = {Phytochemistry}, volume = {66}, number = {22}, year = {2005}, month = {NOV}, pages = {2659-2667}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Tomato (Lycopersicon esculentum, Mill; cultivar- Dhanashree) proteinase inhibitors (Pis) were tested for their trypsin inhibitory (TT) and Helicoverpa armigera gut proteinases inhibitory (HGPI) activity in different organs of the tomato plants. Analysis of TI and HGPI distribution in various parts of the plant showed that flowers accumulated about 300 and 1000 times higher levels of TI while 700 and 400 times higher levels of HGPI as compared to those in leaves and fruits, respectively. Field observation that H. armigera larvae infest leaves and fruits but not the flowers could be at least partially attributed to the protective role-played by the higher levels of Pis in the flower tissue. Tomato Pis inhibited about 50-80\% HGP activity of H. armigera larvae feeding on various host plants including tomato, of larvae exposed to non-host plant Pis and of various larval instars. Tomato Pis were found to be highly stable to insect proteinases wherein incubation of inhibitor with HGP even for 3 h at optimum conditions did not affect inhibitory activity. Bioassay using H. armigera larvae fed on artificial diet containing tomato PIs revealed adverse effect on larval growth, pupae development, adult formation and fecundity. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {accumulation of PI, Helicoverpa armigera, Lycopersicon esculentum, Midgut proteinases, Plant defense, Proteinase inhibitors}, issn = {0031-9422}, doi = {10.1016/j.phystochem.2005.09.006}, author = {Damle, M. S. and Giri, Ashok P. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000233975200003, title = {Highly active and reusable catalyst from Fe-Mg-hydrotalcite anionic clay for friedel-crafts type benzylation reactions}, journal = {Journal of Chemical Sciences}, volume = {117}, number = {6}, year = {2005}, month = {NOV}, pages = {635-639}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Fe-Mg-hydrotalcite (Mg/Fe = 3) anionic clay with or without calcination (at 200-800 degrees C) has been used for the benzylation of toluene and other aromatic compounds by benzyl chloride. Hydrotalcite before and after its calcination was characterized for surface area, crystalline phases and basicity. Both the hydrotalcite, particularly after its use in the benzylation reaction, and the catalyst derived from it by its calcination at 200-800 degrees C show high catalytic activity for the benzylation of toluene and other aromatic compounds. The catalytically active species present in the catalyst in its most active form are the chlorides and oxides of iron on the catalyst surface.
}, keywords = {activation by calcinations, benzylation of aromatic compounds, benzylation of toluene, Fe-Mg-hydrotalcite}, issn = {0253-4134}, doi = {10.1007/BF02708292}, author = {Choudhary, Vasant R. and Jha, Rani and Choudhari, P. A.} } @article { ISI:000227853700025, title = {Highly active and selective AlSBA-15 catalysts for the vapor phase tert-butylation of phenol}, journal = {Applied Catalysis A-General}, volume = {281}, number = {1-2}, year = {2005}, month = {MAR}, pages = {207-213}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Hexagonally ordered mesoporous AISBA-15 catalysts having n(Si)/(nA]) ratios from 7 to 215 have been synthesized hydrothermally using a cheap non-ionic block copolymer as the structure-directing agent. The obtained materials were analyzed by XRD and nitrogen adsorption to determine the structural order and the textural properties. It has been observed by Al-27 MAS NMR spectroscopy that aluminum atoms are exclusively in tetrahedral coordination for all samples except AISBA-15(7), where octahedral aluminum has been detected to some extent. Temperature-programmed desorption of pyridine showed that AISBA-15(45) has a higher number of strong acid sites as compared to other mesoporous materials such as FeMCM-41, AIMCM-41 and FcAlMCM-41. The catalyst AlSBA-15(45)showed superior performance in the acid-catalyzed tertiary butylation of phenol employing tert-butanol as the alkylation agent. A high phenol conversion of 86.3\% is observed for this catalyst at a reaction temperature of 150 degrees C. Over AISBA-15(45), the 4-TBP yield amounts to 40.5\% and the 2,4-DTBP yield corresponds to 37.9\%. (c) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Acidity, AlSBA-15, aluminum incorporation, butylation of phenol, SBA-15}, issn = {0926-860X}, doi = {10.1016/j.apcata.2004.11.031}, author = {Vinu, A. and Devassy, Biju M. and Halligudi, Shivaraj B. and Bohlmann, W. and Hartmann, Martin} } @article { ISI:000227509900026, title = {Highly active new alpha-diimine nickel catalyst for the polymerization of alpha-olefins}, journal = {Journal of Organometallic Chemistry}, volume = {690}, number = {5}, year = {2005}, month = {MAR}, pages = {1314-1323}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A new silylated alpha-diimine ligand, bis[N,N {\textquoteleft}-(4-tert-butyl-diphenylsilyl-2,6-diisopropylphenyl)imino]acenaphthene 3, and its corresponding Ni(II) complex, {bis[N,N {\textquoteleft}-(4-tert-butyl-diphenylsilyl-2,6-diisopropylphenyl)imino]acenaphthene} dibromonickel 4, have been synthesized and characterized. The crystal structures of 3 and 4 were determined by X-ray crystallography. In the solid state, complex 4 is a dimer with two bridging Br ligands linking the two nickel centers, which have square pyramidal geometries. Complex 4, activated either by diethylaluminum chloride (DEAC) or methylaluminoxane (MAO) produces very active catalyst systems for the polymerization of ethylene and moderately active for the polymerization of propylene. The activity values are in the order of magnitude of 10(7) g PE (mol Ni [E] h)(-1) for the polymerization of ethylene and of 10(5) g PP (mol Ni [P] h)(-1) for the polymerization of propylene. NMR analysis shows that branched polyethylenes (PE) are obtained at room or higher temperatures and almost linear PE is obtained at 0 degrees C with 4/DEAC. (c) 2004 Elsevier B.V. All rights reserved.
}, keywords = {alpha-diimine nickel complex, Ethylene polymerization, late transition-metal, propylene polymerization}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2004.11.046}, author = {Liu, Hua-Rong and Gomes, P. T. and Costa, S. I. and Duarte, M. T. and Branquinho, R. and Fernandes, A. C. and Chien, J. C. W. and Singh, R. P. and Marques, Maria M.} } @article { ISI:000230122100004, title = {High-temperature stable and highly active/selective supported NiCoMgCeOx catalyst suitable for autothermal reforming of methane to syngas}, journal = {Journal of Catalysis}, volume = {233}, number = {1}, year = {2005}, month = {JUL}, pages = {36-40}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Low-surface-area, macroporous, zirconia-haffnia-supported NiCoMgOx and NiCoMgCeOx (Ni/Co/Mg/Ce = 1/0.2/1.2/0.0 or 1.2) catalysts, precalcined at high temperature ( 1400 degrees C for 4 h), showed both high activity (\> 98\% conversion) and selectivity ( \> 95\%) in the catalytic partial oxidation of methane (CPOM) to syngas. Their performance remained unchanged even after they were subjected to higher temperature (\> 2000 degrees C for 30 min) or a number of high-temperature (\> 2000 degrees C) shocks, due to their direct exposure to an oxyacetylene flame. The supported NiCoMgCeOx, however, showed superior performance in the steam and CO2 reforming reactions because of its much higher lattice oxygen mobility. Hence it is more suitable for the autothermal reforming of methane. (c) 2005 Elsevier Inc. All rights reserved.
}, keywords = {autothermal reforming of methane, Catalyst, catalytic partial oxidation of methane, CO2 reforming of methane, high-temperature stable supported NiCoMgCeOx catalyst, steam reforming of methane, zirconia-haffnia-supported NiCoMgCeOx catalysts, zirconia-haffnia-supported NiCoMgOx}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.04.019}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Mamman, Ajit Singh} } @article { ISI:000227893300004, title = {Hollow gold and platinum nanoparticles by a transmetallation reaction in an organic solution}, journal = {Chemical Communications}, number = {13}, year = {2005}, month = {FEB}, pages = {1684-1686}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {Transmetallation reaction between hydrophobized silver nanoparticles with hydrophobized chloroaurate and chloroplatinate ions in chloroform results in the formation of hollow gold and platinum shell nanoparticles respectively.}, issn = {1359-7345}, doi = {10.1039/b418566h}, author = {Selvakannan, PR and Sastry, M} } @article { ISI:000230828800038, title = {Hydrodynamics of trickle-bed reactors: experiments and CFD modeling}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {16}, year = {2005}, month = {AUG}, pages = {6278-6294}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{Hydrodynamics of trickle-bed reactors involve complex interactions of gas and liquid phases with packed solids. Such complex interactions manifest in different flow regimes occurring in trickle-bed reactors. Knowledge of prevailing flow regime, pressure drop, and liquid holdup is essential for design and performance evaluation of the reactor. Detailed knowledge of fluid dynamics is essential for {\textquoteleft}{\textquoteleft}a priory{\textquoteright}{\textquoteright} predictions as well as for interpretation of available data. In this study, we have used wall pressure fluctuation measurements to identify prevailing flow regime in trickle beds. Experiments were carried out on two scales of columns (of diameter 10 cm and 20 cm) with two sets of particles (3 min and 6 mm diameter spherical particles). Effects of prewetted and unwetted bed conditions on pressure drop and liquid holdup were reported for a range of operating conditions (V-G = 0.22-0.44 kg/m(2)s
}, issn = {0888-5885}, doi = {10.1021/ie0491037}, author = {Gunjal, P. R. and Kashid, M. N. and Ranade, V. V. and Chaudhari, Raghunath V.} } @article { ISI:000228203100026, title = {Hydroformylation of 1-hexene using Rh/TPPTS complex exchanged on anion exchange resin: kinetic studies}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {232}, number = {1-2}, year = {2005}, month = {MAY}, pages = {179-186}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The exchange of the Rh/Triphenylphosphine trisulfonate sodium [TPPTS] complex on to an anion exchange resin results in a stable heterogenized catalyst for the hydroformylation of alkenes. The kinetics of hydroformylation of 1-hexene using Rh/TPPTS complex exchanged on anion exchange resin to Amberlite IRA-93 has been investigated for the first time. The rate of the reaction was found to be dependent on the partial pressure of hydrogen and 1-hexene concentrations with a first order. A maximum in the rate with increasing partial pressure of carbon monoxide was observed. A rate model has been proposed which predicts the observed rate data within reasonable error. The activation energy was found to be 84.37 kJ/mol. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {heterogenized catalyst, Hydroformylation, ion-exchange resin, kinetics, Rhodium}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.01.033}, author = {Diwakar, Makarand M. and Deshpande, R. M. and Chaudhari, Raghunath V.} } @article { ISI:000227996600003, title = {Hydrogen bond mediated open-frame networks in coordination polymers: supramolecular assemblies of Pr(III) and 3,5-dinitro-4-methylbenzoic acid with aza-donor compounds}, journal = {Chemical Communications}, number = {14}, year = {2005}, month = {FEB}, pages = {1824-1826}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A coordination assembly of 3,5-dinitro-4-methylbenzoic acid and Pr(III), synthesized by hydrothermal methods forms a host structure, which is stable up to 300 degrees C, through C-H center dot center dot center dot O hydrogen bonds and accommodates different types of guest species varying from simple molecules like water to larger molecules like trans-1,2-bis(4-pyridyl) ethene.
}, issn = {1359-7345}, doi = {10.1039/b417754a}, author = {Varughese, S and Pedireddi, VR} } @article { ISI:000226504900012, title = {Hydrogen peroxide formation in the interaction of oxygen with boron-containing Pd catalysts prereduced by hydrazine in aqueous acidic medium containing bromide anions}, journal = {Catalysis Letters}, volume = {99}, number = {1-2}, year = {2005}, month = {JAN}, pages = {79-81}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
Interaction of molecular oxygen with Pd/BPO4 or ZrO2 (or Al2O3, CeO2, TiO2) - B2O3 catalysts, prereduced by hydrazine hydrate, in an aqueous acidic (H2SO4 or H3PO4) reaction medium containing bromide ions leads to the formation of H2O2. However, in the absence of boron in the catalyst and also in the absence of acid and/or bromide ions in the reaction medium, almost no H2O2 is formed.
}, keywords = {boron-containing Pd catalysts, Hydrogen peroxide, oxygen-catalyst interactions}, issn = {1011-372X}, doi = {10.1007/s10562-004-0779-z}, author = {Choudhary, Vasant R. and Samanta, C.} } @article { ISI:000227321900006, title = {Hydrophobically modified poly(acrylic acid) using 3-pentadecylcyclohexylamine: synthesis and rheology}, journal = {Macromolecular Chemistry and Physics}, volume = {206}, number = {4}, year = {2005}, month = {FEB}, pages = {464-472}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Hydrophobically modified poly(acrylic acid) was synthesized using 3-pentadecylcyclohexylamine (3-PDCA), which was in turn synthesized from 3-pentadecylphenol, one of the components of cashew-nut shell liquid (CNSL), a renewable resource material. H-1 NMR spectra confirmed the incorporation of 3-PDCA onto PAA and a series of HMPs with three different molar concentrations, viz. congruent to 3, 5 and 7 mol-\% of 3-PDCA, were synthesized. An increase in viscosity with increasing hydrophobic content was observed by rheological measurements. The critical association concentrations were determined using an Ubbelohde viscometer and a controlled stress rheometer. The stability of HMPs towards temperature and shear was studied. Rheological measurements showed that there was a steady increase in viscosity with increase in hydrophobe content due to the formation of reversible networks. These polymers exhibited gel-like behavior at low concentrations (greater than or equal to2 wt.-\%) with an apparent yield stress (ca. 10 Pa) and showed shear thinning properties (non-Newtonian). However, below a critical concentration, c [eta], they showed Newtonian behavior.
}, keywords = {3-pentadecylcyclohexylamine (3-PDCA), hydrophobically modified polymers (HMPs), poly(acrylic acid), reversible associations, Rheology}, issn = {1022-1352}, doi = {10.1002/macp.200400392}, author = {Shedge, A. S. and Lele, Ashish K. and Wadgaonkar, P. P. and Hourdet, Dominique and Pcrrin, P. and Chassenieux, Christophe and Badiger, Manohar V.} } @article { ISI:000231767400051, title = {Identical molecular strings woven differently by intermolecular interactions in dimorphs of myo-inositol 1,3,5-orthobenzoate}, journal = {Crystal Growth \& Design}, volume = {5}, number = {5}, year = {2005}, month = {SEP}, pages = {1977-1982}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
myo-Inositol 1,3,5-orthobenzoate exhibits polymorphic behavior depending upon the solvent and time allowed for crystallization. Long plates (form I, monoclinic P2(1)/n) are produced on crystallization from methanol, while crystallization from ethyl acetate mostly yielded squarish plates (form II, monoclinic P2(1)/c). The latter could also be obtained by achieving rapid nucleation from a supersaturated solution of methanol. Remarkably, the overall conformation of the individual molecules is very similar in both polymorphs, although free rotations were possible for the phenyl ring and for the three O-H groups. O-H center dot center dot center dot O linked one-dimensional isostructural molecular strings in the two forms weave differently by weak intermolecular interactions to produce the dimorphs. Striking difference is seen in the {\textquoteleft}{\textquoteleft}zipping{\textquoteright}{\textquoteright} of molecular layers via phenyl center dot center dot center dot phenyl contacts; thermodynamic crystals of form I utilize a well-recognized {\textquoteleft}{\textquoteleft}edge-to-face{\textquoteright}{\textquoteright} herringbone pattern, making C-H center dot center dot center dot pi interactions, whereas the kinetic crystals of form II show rather uncommon {\textquoteleft}{\textquoteleft}edge-to-edge{\textquoteright}{\textquoteright} organization, which makes short Ph-H center dot center dot center dot H-Ph contacts.
}, issn = {1528-7483}, doi = {10.1021/cg050272j}, author = {Bhosekar, Gaurav V. and Murali, Chebrolu and Gonnade, Rajesh G. and Shashidhar, M. S. and Bhadbhade, Mohan M.} } @article { ISI:000232596300002, title = {Identification of coding and non-coding sequences using local holder exponent formalism}, journal = {Bioinformatics}, volume = {21}, number = {20}, year = {2005}, month = {OCT}, pages = {3818-3823}, publisher = {OXFORD UNIV PRESS}, type = {Article}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {
Motivation: Accurate prediction of genes in genomes has always been a challenging task for bioinformaticians and computational biologists. The discovery of existence of distinct scaling relations in coding and non-coding sequences has led to new perspectives in the understanding of the DNA sequences. This has motivated us to exploit the differences in the local singularity distributions for characterization and classification of coding and non-coding sequences. Results: The local singularity density distribution in the coding and non-coding sequences of four genomes was first estimated using the wavelet transform modulus maxima methodology. Support vector machines classifier was then trained with the extracted features. The trained classifier is able to provide an average test accuracy of 97.7\%. The local singularity features in a DNA sequence can be exploited for successful identification of coding and non-coding sequences.
}, issn = {1367-4803}, doi = {10.1093/bioinformatics/bti639}, author = {Kulkarni, O. C. and Vigneshwar, R. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000227629300008, title = {Illustration of HIV-1 protease folding through a molten-globule-like intermediate using an experimental model that implicates alpha-crystallin and calcium ions}, journal = {Biochemistry}, volume = {44}, number = {10}, year = {2005}, month = {MAR}, pages = {3725-3734}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The folding of HIV-1 protease to its active form involves the coordination of structure formation and dimerization, which follows a hierarchy consisting of folding nuclei spanning from the active site, hinge region, and dimerization domain. However, the biochemical characteristics of the folding intermediates of this protein remain to be elucidated. In an experimental model, the denaturation of the tethered dimer of HIV-1 protease by guanidine hydrochloride revealed an alternative conformation resembling the molten globule state. The molten-globule state binds to the molecular chaperone alpha-crystallin and prevents its aggregation; however, the chaperone alone failed to reconstitute HIV-1 protease into its active form. Calcium ion assisted in the release of active enzyme from the chaperone complex. alpha-crystallin, a member of the small heat-shock protein, assists proteins to fold correctly; however, the underlying principle of signals responsible for chaperone-mediated protein folding remains enigmatic. X-ray photoelectron spectroscopy has been employed to provide the evidence of calcium binding to alpha-crystallin and to decipher the effect of calcium binding on the chaperone-mediated refolding of HIV-1 protease. On the basis of our spectroscopic data, we propose that calcium ions interact with the carboxyl groups of the surface-exposed acidic amino acids of alpha-crystallin bringing electrostatic interference, which plays a pivotal role in inducing conformational changes in the chaperone responsible for the release of the active enzyme.
}, issn = {0006-2960}, doi = {10.1021/bi048378n}, author = {Dash, C and Sastry, M and Rao, M} } @article { ISI:000231018800006, title = {Immobilization of metallporphyrins on polystyrene: efficient catalysts for aerobic oxidation of alcohols}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {238}, number = {1-2}, year = {2005}, month = {SEP}, pages = {46-50}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Metalloporphyrins of iron and cobalt have been successfully encapsulated for the first time using polystyrene matrix, exhibiting high activity for aerobic oxidation of alcohols mimicking cytochrome P-450 dependent mono oxygenases. This communication provides a simple and environmentally friendly protocol for immobilization of metalloporphyrins (MPs) on to polystyrenes in general, which gives stable,I reusable (see Footnote 1) and efficient catalysts for aerobic oxidation of alcohols. These catalysts were characterized by UV-vis as well as diffuse reflectance FT-IR spectroscopy. These catalysts not only have high turnover frequencies but also could be recovered quantitatively by simple filtration and reused without loss of activity. Considering their high dispersing capacity in organic solvents, they will definitely find broad spectrum of applications in the electronic as well as optical fields. This methodology will lead to a potential model to mimic the catalytic action of metalloporphyrins in the niche areas such as catalytic oxidations, drug metabolism, DNA cleavage, photodynamic therapy and many others. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {aerobic oxidation, Immobilization, metalloporphyrins, micro-encapsulation, Polystyrene, turnover frequency}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.04.041}, author = {Naik, R. and Joshi, P. and Deshpande, R. K.} } @conference { ISI:000230895600102, title = {Immobilized molybdovanadophosphoric acids on SBA-15 for selective oxidation of alkenes}, booktitle = {4th International Symposium on Nanoporous Materials}, series = {STUDIES IN SURFACE SCIENCE AND CATALYSIS}, volume = {156}, year = {2005}, note = {4th International Symposium on Nanoporous Materials, Niagara Falls, CANADA, JUN 07-10, 2005}, month = {JUN}, pages = {769-778}, publisher = {Elsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, organization = {Elsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, address = { Niagara Falls, Canada}, abstract = {
Vanadium substituted molybdophosphoric acids have been immobilized on amine functionalized SBA-15 and characterized by different techniques. Small angle X-ray scattering analysis and SEM technique provide evidence for the structural integrity of the samples. UV-Vis, NMR and IR data confirm the incorporation of molybdovanadophosphoric acids onto the amine functionalized SBA-15. The textural properties of these materials were studied by nitrogen sorption studies. Oxidation of cyclooctene and norbornene was carried out with oxidants in aqueous (aq. H2O2) and non-aqueous (TBHP extracted in dichloroethane) medium. The reactions were carried out with both the neat catalysts (homogeneous) and the immobilized catalysts (heterogenized) and the results were compared. The selectivity of the desired products was always \> 99\% with the immobilized catalyst with both aq.H2O2 and TBHP. However, while the leaching was negligible in the non-aqueous medium, the aqueous medium leads to considerable leaching. The immobilized catalysts could be separated after the reaction and the reusability of the catalyst has also been demonstrated especially with oxidant in the nonaqueous medium.
}, isbn = {0-444-51748-0}, issn = {0167-2991}, author = {Raj, N. K. K. and Deshpande, S. S. and Ingle, Rohit H. and Raja, T. and Manikandan, Palanichamy}, editor = {Sayari, A. and Jaroniec, M.} } @article { ISI:000234124500008, title = {Improved synthesis of an energetic material, 1,3,3-trinitroazetidine (TNAZ) exploiting 2-iodoxy benzoic acid (IBX) as an oxidising agent}, journal = {Indian Journal of Chemistry Section B - Organic Chemistry including Medicinal Chemistry}, volume = {44}, number = {12}, year = {2005}, month = {DEC}, pages = {2560-2563}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
Tetrahydropyranyl protected 1,3-dihalo-2-propanol reacts with p-toluene sulfonamide in the presence of K2CO3 to give corresponding N-p-tosyl-3-azetidinol. Deprotection and oxidation with iodoxy benzoic acid followed by oximation of N-p-tosyl-3-azetidinone readily affords the corresponding azetidine oxime in almost quantitative yield. The subsequent oxidative nitrolysis of oxime gives 1,3,3-trinitroazetidine (TNAZ) through a new sequence of reactions with excellent purity (\> 99\%) and moderate yield (40\%).
}, keywords = {2-iodoxy benzoic acid, insensiive munitions, oxidative nitrolysis, oximination, strained ring, synthesis, trinitroazetidine}, issn = {0376-4699}, author = {Singh, A and Sikder, N and Sikder, AK} } @article { ISI:000231864200007, title = {In ovulo rescue of hybrid embryos in flame seedless grapes - influence of pre-bloom sprays of benzyladenine}, journal = {Scientia Horticulturae}, volume = {106}, number = {3}, year = {2005}, month = {OCT}, pages = {353-359}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Based on the theory that cytokinins are known to increase the sink strength of seeds for assimilates, the present investigation was carried out to study the influence of pre-bloom and bloom time sprays of benzyladenine (BA) on embryo recovery, germination and plant development in Flame Seedless grape variety by using in ovulo rescue methods. The combined effect of pollen parent type and sprays of BA drastically improved these parameters and the embryo recovery was more than doubled in all the crosses, except in cross FS x Concord. Also, germination of embryos was higher when BA sprays were given. Recovery of embryos and growth depended on BA treatment and the pollen parent types. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {benzyladenine, flame seedless, in ovulo embryo rescue, interspecific hybridization, Vitis spp.}, issn = {0304-4238}, doi = {10.1016/j.scienta.2005.04.002}, author = {Bharathy, P. V. and Karibasappa, G. S. and Patil, S. G. and Agrawal, Dinesh C.} } @article { ISI:000225953600006, title = {In situ polymerization of ethylene with bis(imino)pyridine iron(II) catalysts supported on clay: the synthesis and characterization of polyethylene-clay nanocomposites}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {2}, year = {2005}, month = {JAN}, pages = {304-318}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Polyethylene-clay nanocomposites were synthesized by in situ polymerization with 2,6-bis[1-(2,6-diisopropylphenylimino)ethyl] pyridine iron(II) dichloride supported on a modified montmorillonite clay pretreated with methylaluminoxane (MAO). The catalysts and the obtained nanocomposites were examined with wide-angle X-ray scattering. The exfoliation of the clay was further established by transmission electron microscopy. Upon the treatment of the clay with MAO, there was an increase in the d-spacing of the clay galleries. No further increase in the d-spacing of the galleries was observed with the iron catalyst supported on the MAO-treated clay. The catalyst activity for ethylene polymerization was independent of the Al/Fe ratio. The exfoliation of the clay inside the polymer matrix depended on various parameters, such as the clay content, catalyst content, and Al/Fe ratio. The crystallinity percentage and crystallite size of the nanocomposites were affected by the degree of exfoliation of the clay. Moreover, when ethylene was polymerized with a mixture of the homogeneous iron(II) catalyst and clay, the degree of exfoliation was significantly lower than when the polymerization was performed with a preformed clay-supported catalyst. This observation suggested that in the supported catalyst, at least some of the active centers resided within the galleries of the clay. (C) 2004 Wiley Periodicals, Inc.
}, keywords = {clay, In situ polymerization, Nanocomposites, polyethylene (PE), TEM, WAXS}, issn = {0887-624X}, doi = {10.1002/pola.20502}, author = {Ray, S and Galgali, G and Lele, Arundhati C. and Sivaram, S} } @article { ISI:000227016500007, title = {In situ XPS investigations of Cu1-xNixZnAl-mixed metal oxide catalysts used in the oxidative steam reforming of bio-ethanol}, journal = {Applied Catalysis B - Environmental}, volume = {55}, number = {4}, year = {2005}, month = {FEB}, pages = {287-299}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A series of CuNiZnAl-multicomponent mixed metal oxide catalysts with various Cu/Ni ratios were prepared by the thermal decomposition of Cu1-xNixZnAl-hydrotalcite-like precursors and tested for oxidative steam reforming of bio-ethanol. Dehydrogenation of EtOH to CH3CHO is favored by Cu-rich catalyst. Introduction of Ni leads to C-C bond rupture and producing CO, CO2 and CH4. H-2 yield (selectivity) varied between 2.6-3.0 mol/mol of ethanol converted (50-55\%) for all catalysts at 300 degreesC. The above catalysts were subjected to in situ XPS studies to understand the nature of active species involved in the catalytic reaction. Core level and valence band XPS as well as Auger electron spectroscopy revealed the existence of Cu2+, Ni2+ and Zn2+ ions on calcined materials. Upon in situ reduction at reactions temperatures, the Cu2+ was fully reduced to Cu-0. while Ni2+ and Zn2+ were partially reduced to Ni-0 and Zn-0, respectively. On reduction, the nature of ZnO on Cu-rich catalyst changes from crystalline to amorphous, relatively inert and highly stabilized electronically. Relative concentration of the Ni-0 and Zn-0 increases upon reduction with decreasing Cu-content. Valence band results demonstrated that the overlap between 3d bands of Cu and Ni was marginal on calcined materials, and no overlap due to metallic clusters formation after reduction. Nonetheless, the density of states at Fermi level increases dramatically for Ni-rich catalysts and likely this influences the product selectivity. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {auger electron spectroscopy, Autothermal reforming, Bio-ethanol, copper oxide, fuel cell, Hydrogen, hydrotalcite, mixed metal oxides, nickel oxide, oxidative steam reforming, Steam reforming, XPS}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2004.09.007}, author = {Velu, S. and Suzuki, K. and Vijayaraj, M. and Barman, S. and Gopinath, Chinnakonda S.} } @article { ISI:000227632100007, title = {In vivo and in vitro effect of capsicum annum proteinase inhibitors on helicoverpa armigera gut proteinases}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1722}, number = {2}, year = {2005}, month = {MAR}, pages = {156-167}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Two proteinase inhibitors (PIs), CapA1 and CapA2, were purified from Capsicum annum Linn. Var. Phule Jyoti leaves and assessed for their in vitro and in vivo activity against Helicoverpa armigera gut proteinases (HGPs). Both the inhibitors exhibited molecular weights of about 12 kDa with inhibitory activity against bovine trypsin and chymotrypsin indicating presence of probable two-inhibitor repeats of PIN II family. CapA1 and CapA2 inhibited 60-80\% HGP (azocaseinolytic) activity of fourth instar larvae feeding on various host plants while 45-65\% inhibition of HGP activity of various instars (II to VI) larvae reared on artificial diet. The partial purification of HGP isoforms, their characterization with synthetic inhibitors and inhibition by C. annum PIs revealed that most of the trypsin-like activity (68-91\%) of HGPs was sensitive to C. annum PIs while 39-85\% chymotrypsin-like activity of HGPs was insensitive to these inhibitors. The feeding of C. annum leaf extracts and two purified PIs in various doses to H. armigera larvae for two successive generations through artificial diet demonstrated their potential in inhibiting larval growth and development, delay in pupation period and dramatic reduction in fecundity and fertility. This is the first report-demonstrating efficacy of C. annum PIs against insect gut proteinases as well as larval growth and development of H. armigera. (c) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Capsicum annum, gut proteinase, Helicoverpa armigera, insect resistance, Proteinase inhibitor}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2004.12.017}, author = {Tamhane, V. A. and Chougule, Nanasaheb P. and Giri, Ashok P. and Dixit, A. R. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000232694100001, title = {Inactive enzymatic mutant proteins (phosphoglycerate mutase and enolase) as sugar binders for ribulose-1,5-bisphosphate regeneration reactors}, journal = {Microbial Cell Factories}, volume = {4}, year = {2005}, month = {FEB}, pages = {Article No. 5}, publisher = {BIOMED CENTRAL LTD}, type = {Article}, address = {MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND}, abstract = {
Background: Carbon dioxide fixation bioprocess in reactors necessitates recycling of D- ribulose1,5-bisphosphate (RuBP) for continuous operation. A radically new close loop of RuBP regenerating reactor design has been proposed that will harbor enzyme-complexes instead of purified enzymes. These reactors will need binders enabling selective capture and release of sugar and intermediate metabolites enabling specific conversions during regeneration. In the current manuscript we describe properties of proteins that will act as potential binders in RuBP regeneration reactors. Results: We demonstrate specific binding of 3-phosphoglycerate (3PGA) and 3-phosphoglyceraldehyde ( 3PGAL) from sugar mixtures by inactive mutant of yeast enzymes phosphoglycerate mutase and enolase. The reversibility in binding with respect to pH and EDTA has also been shown. No chemical conversion of incubated sugars or sugar intermediate metabolites were found by the inactive enzymatic proteins. The dissociation constants for sugar metabolites are in the micromolar range, both proteins showed lower dissociation constant (Kd) for 3-phosphoglycerate ( 655 - 796 mu M) compared to 3-phosphoglyceraldehyde ( 822 - 966 mu M) indicating higher affinity for 3PGA. The proteins did not show binding to glucose, sucrose or fructose within the sensitivity limits of detection. Phosphoglycerate mutase showed slightly lower stability on repeated use than enolase mutants. Conclusions: The sugar and their intermediate metabolite binders may have a useful role in RuBP regeneration reactors. The reversibility of binding with respect to changes in physicochemical factors and stability when subjected to repeated changes in these conditions are expected to make the mutant proteins candidates for in-situ removal of sugar intermediate metabolites for forward driving of specific reactions in enzyme-complex reactors.
}, issn = {1475-2859}, doi = {10.1186/1475-2859-4-5}, author = {De, Dinesh and Dutta, D. and Kundu, M. and Mahato, S. and Schiavone, M. T. and Chaudhuri, S. and Giri, Ashok P. and Gupta, Vidya and Bhattacharya, S. K.} } @article { ISI:000226728000011, title = {Increasing the sensitivity of 2D high-resolution NMR methods applied to quadrupolar nuclei}, journal = {Journal of Magnetic Resonance}, volume = {172}, number = {2}, year = {2005}, month = {FEB}, pages = {268-278}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Gan and Kwak recently proposed a soft-pulse added mixing (SPAM) idea in the classical two-pulse multiple-quantum magic-angle spinning scheme. In the SPAM method, a soft pi/2 pulse is added after the second hard-pulse (conversion pulse) and all coherence orders in between them are constructively used to obtain the signal. We, here, further extend this idea to distributed samples where the signal mainly results from echo pathways and that from anti-echo pathways dies Out after a few t(1) increments. We show that, with a combination of SPAM and collection of fewer anti-echoes, an enhancement of the signal to noise ratio by a factor of ca. 3 may be obtained over the z-filtered version. This may prove to be useful even for samples with long T{\textquoteright}(2) relaxation times. (C) 2004 Elsevier Inc. All rights reserved.
}, keywords = {high-resolution, quadrupolar nuclei, sensitivity, Solid-state NMR}, issn = {1090-7807}, doi = {10.1016/j.jmr.2004.11.001}, author = {Amoureux, J. P. and Delevoye, L. and Steuernagel, S. and Gan, Zhengting and Ganapathy, Subramanian and Montagne, L.} } @article { ISI:000233351600005, title = {IndCollections: biological specimens in Indian collections}, journal = {Current Science}, volume = {89}, number = {9}, year = {2005}, month = {NOV}, pages = {1454-1455}, publisher = {CURRENT SCIENCE ASSN}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Chavan, V. and Rane, N. S. and Ghate, H. V. and Krishnan, S.} } @article {42819, title = {India: apremier destination for outsourcing}, volume = {42}, year = {2005}, month = {JAN}, author = {Chorghade, Mukund S. and Chorghade, V. M. and Gurjar, Mukund K. and Ramana, Chepuri V. and Kamerkar, A. V. and Zafran, H. and Mashelkar, Raghunath Anant} } @article { ISI:000228136800013, title = {IndOBIS, an ocean biogeographic information system for assessment and conservation of indian ocean biodiversity}, journal = {Indian Journal of Marine Sciences}, volume = {34}, number = {1}, year = {2005}, note = {Workshop on Coastal and Marine Biodiversity of Indian Ocean Countries, Goa, INDIA, DEC, 2003}, month = {MAR}, pages = {120-127}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
Compilation of inventories of components of coastal and marine biodiversity of Indian Ocean is hampered by several factors: low effort by some countries, preference to certain taxon, dwindling taxonomic expertise, low infrastructure of Information Technology, databases that are scattered and often non-interoperable, inconsistent reporting and a marked reluctance to share data and information. The creation of the Indian Ocean node of the Ocean Biogeographic Information System is meant to overcome some of these constraints. Benefiting from progress in Information Technology and building on the global efforts on understanding what lives in our seas, the IndOBIS aims to grow into a self-sustaining and collectively supported process of information collation, analysis and dissemination, serving the countries of the region and the international scientific community.
}, keywords = {biodiversity informatics, biogeography, distributed database systems, Indian Ocean, IndOBIS, information systems, Ocean Biogeographic Information System}, issn = {0379-5136}, author = {Chavan, V. and Achuthankutty, C. T. and Vanden Berghe, E. and Wafar, M.} } @article { ISI:000233264700006, title = {Influence of alkali metal doping on selectivity behaviour of platinum catalysts for hydrogenation of 2-butyne-1,4-diol}, journal = {Catalysis Communications}, volume = {6}, number = {11}, year = {2005}, month = {NOV}, pages = {725-730}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Hydrogenation of 2-butyne-1,4-diol to 2-butene-1,4-diol (B(2)D) and butane-1,4-diol (B(1)D) using Pt catalysts doped with alkali metals was studied. These catalysts showed higher selectivity to the olefinic diol (B2D) compared to that with monometallic platinum catalyst. Among various alkali metals, Cs-doped catalyst showed highest selectivity (\>99\%) to B(2)D. The selectivity to B(2)D increased (up to 99.9\%) with increase in the concentration of Cs from 0.25\% to 1\%. The increase in the basic strength of alkali doped catalysts measured by CO(2)-TPD, would be responsible for the increase in electron density of Pt hence, faster desorption and higher selectivity to the intermediate olefinic diol (B(2)D). The reaction parameters; such as temperature, H(2) pressure and substrate concentration haye strong influence on the catalyst activity but almost no effect on the selectivity to B(2)D. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {2-butene-1, 2-butyne-1, 4-diol, alkali metal doping, platinum catalysts, Selective hydrogenation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2005.07.009}, author = {Telkar, M. M. and Rode, C. V. and Rane, V. H. and Chaudhari, R.} } @article { ISI:000233927900004, title = {Influence of hydrothermal pretreatment on acidity and activity of H-GaAlMFI zeolite for the propane aromatization reaction}, journal = {Microporous and Mesoporous Materials}, volume = {87}, number = {1}, year = {2005}, month = {DEC}, pages = {23-32}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The acidity and propane aromatization activity of H-GaAlMFI has been investigated subsequent to different hydrothermal (HT) pretreatments. Extensive degalliation of framework Ga occurred during the HT pretreatments; the framework Si/Ga ratio nearly doubled when the steam concentration was increased from 0\% to 80\%. The extent of degalliation and corresponding loss of strong zeolitic acidity (measured in terms of pyridine chemisorbed at 400 degrees C) was particularly severe at high (\> 500 degrees C) temperatures and steam concentrations (\> 40 mol\%). Framework Al in the GaAlMFI zeolite was found to be very stable; the FW Si/Al ratio did not change to any appreciable extent even after severe HT pretreatments. Each of the HT pretreatment parameters (concentration of steam: 0-80\%, HT temperature: 400-600 degrees C and length of HT pretreatment: 0-6 h) showed a profound influence on the propane aromatization activity. The product selectivity was, however, only mildly affected by the HT pretreatments. The following factors were found to be important for high propane aromatization activity (a) strong zeolitic acidity and (b) optimal content/dispersion of the extra-framework Ga species which are formed in situ during the HT pretreatments. (c) 2005 Elsevier Inc. All rights reserved.
}, keywords = {Acidity, aromatic distribution, Ga-based zeolites, hydrothermal treatment and steam, propane aromatization}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2005.07.028}, author = {Choudhary, Tushar V. and Kinage, A. and Banerjee, S. and Choudhary, Vasant R.} } @article { ISI:000226717900001, title = {Influence of PdO content and pathway of its formation on methane combustion activity}, journal = {Catalysis Communications}, volume = {6}, number = {2}, year = {2005}, month = {FEB}, pages = {97-100}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The methane oxidation reaction is known to induce changes in the surface structure and composition of Pd catalysts; making it extremely arduous to relate the methane oxidation activity to specific catalyst properties by conventional methods (continuous flow reactor studies). To circumvent this, methodical pulse reactor studies have been undertaken to obtain correlations between the initial methane combustion activity and the catalyst properties (Pd-0/PdO content and path of PdO formation). While the initial methane combustion activity (at 160-280 degreesC) continuously increased with increasing PdO concentration (0-100\%) in the catalyst, it continuously decreased with increasing Pddegrees content (0-100\%). Controlled studies were undertaken to obtain catalysts with identical PdO content by two pathways: (i) by controlled partial oxidization of Pd-0/Al2O3 and (ii) by controlled partial reduction of PdO/Al2O3. Interestingly, for a given PdO content, the catalysts obtained by partial oxidation of Pd-0/Al2O3 showed a significantly superior performance to the catalyst obtained by partial reduction of PdO/Al2O3 for all the temperatures investigated. These studies unambiguously show that along with the relative concentration of PdO, the PdO formation pathway is also critical in deciding the methane combustion activity of the catalyst. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Methane combustion, Oxidation, partially oxidized Pd-0/Al2O3, partially reduced PdO/Al2O3, Pd-0/Al2O3, PdO/Al2O3, pulse reaction of methane}, issn = {1566-7367}, doi = {10.1016/j.catcom.2004.11.004}, author = {Choudhary, Tushar V. and Banerjee, S. and Choudhary, Vasant R.} } @article { ISI:000226212200001, title = {Influence of process pressure on HW-CVD deposited a-Si : H films}, journal = {Solar Energy Materials and Solar Cells}, volume = {85}, number = {3}, year = {2005}, note = {2nd International Conference on Cat-CVD (Hot-Wire CVD) Process, DENVER, CO, SEP 10-14, 2002}, month = {JAN}, pages = {301-312}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Hydrogenated amorphous silicon (a-Si:H) films were deposited using pure silane (SiH4) without hydrogen dilution by hot wire chemical vapor deposition (HW-CVD) technique. The electrical, optical, and structural properties of these films are systematically studied as a function of process pressure (P-r). The device quality a-Si:H films with a photosensitivity \> 10(5) were deposited at a deposition rate \>40 Angstrom/s at low process pressure. However, a-Si:H films deposited at higher process pressures show degradation in their electrical and structural properties. The FTIR spectroscopic analysis showed that a-Si:H films deposited at low process pressure contain hydrogen mainly in mono-hydrogen (Si-H) configuration whereas films deposited at higher process pressure have hydrogen in di-hydrogen (Si-H-2) or poly hydrogen (SiH2)(n) complexes. The hydrogen content (C-H) in the films was found to be less than 4 at.\% over the entire range of process pressure studied. This indicates that the growth of a-Si:H films is mainly from the atomic species (Si and H) evaporated from the hot filament and hydrogen gets incorporated in the film via gas-phase reactions and substrate gas interactions. The band gap, however was found similar to1.71 eV or much higher. We attribute high band gap at low hydrogen content may be due to presence of microvoids. Raman spectroscopic analysis showed increase in structural disorder and Rayleigh scattering with increase in the process pressure. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Electrical properties, FTIR spectroscopy, hot wire chemical vapor deposition, hydrogenated amorphous silicon, Raman spectroscopy}, issn = {0927-0248}, doi = {10.1016/j.solmat.2004.04.017}, author = {Jadkar, Sandesh R. and Sali, J. V. and Kshirsagar, S. T. and Takwale, M. G.} } @article { ISI:000231401000008, title = {Influence of silica source in the catalytic activity and heterogenity of mesoporous vanadosilicates}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {239}, number = {1-2}, year = {2005}, month = {SEP}, pages = {57-63}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Vanadium-substituted ordered mesoporous silicates (V-OMS) were synthesized hydrothermally using two common silica sources, viz. fumed silica and tetraethyl orthosilicate, and their surface properties and catalytic activities were evaluated in the liquid phase oxidation of 1-napthol using aqueous H2O2 as an oxidant. The catalysts were characterized by XRD, N-2, adsorption-desorption, DRUV-vis and TPR to evaluate the mesostructural ordering and the local environment of vanadium in the MCM-41 matrix. Characterization data of the fresh calcined catalysts reveal a more ordered hexagonal structure for the V-MCM-41 catalyst prepared by using tetraethyl orthosilicate as the silica source while spent catalyst showed that the material is less stable than the V-MCM-41 catalyst prepared by using fumed silica as the silica source. Further, the observed differences in the selectivity behavior of extracted and calcined forms of both vanadium catalysts shows that the treatment conditions had a decisive role in the formation of extra framework metal species and further in the mesoscopic structural ordering. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {1-napthol, MCM-41, Mesoporous, Oxidation, Vanadium}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.05.029}, author = {Shylesh, S. and Mirajkar, Subhash P. and Singh, A. P.} } @conference { ISI:000234827500072, title = {Influence of Sn- and Al- metal sources on post-synthesis modification of mesoporous SBA-15 molecular sieves}, booktitle = {3rd Conference of the Federation-of-European-Zeolite-Association}, series = {Studies in Surface Science and Catalysis}, volume = {158}, number = {A-B}, year = {2005}, note = {3rd Conference of the Federation-of-European-Zeolite-Association, Prague, CZECH REPUBLIC, AUG 23-29, 2005}, month = {AUG}, pages = {565-572}, publisher = {Elsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, organization = {Elsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, address = {Prague, Czech Republic}, abstract = {
Mesoporous silica SBA-15 has been incorporated with various amounts of Sn and Al by post synthesis grafting technique, which results in excellent structural integrity and enhanced acidity. Physico-chemical characterization was done by various spectroscopic methods to understand the chemical nature of incorporated Sn and Al. XRD and BET results show that the hexagonal structural of the SBA-15 is maintained during the grafting with no loss of long range structure ordering. (119)Sn NMR Spectrum shows the presence of Sri in essentially octahedral environment, while 27 Al MAS NMR results confirm that a large proportion of the Al is in tetrahedral position. The resulting Sn and Al-grafted materials possess considerable catalytic activity in the transesterification of diethylmalonate (medium acidity) and isopropylation of naphthalene (strong acid sites), respectively.
}, isbn = {0-444-52082-1}, issn = {0167-2991}, author = {Shah, P and Ramaswamy, AV and Ramaswamy, V}, editor = {Cejka, J and Zilkova, N and Nachtigall, P} } @article { ISI:000231401000011, title = {In-Mg-hydrotalcite anionic clay as catalyst or catalyst precursor for friedel-crafts type benzylation reactions}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {239}, number = {1-2}, year = {2005}, month = {SEP}, pages = {76-81}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In-Mg-hydrotalcite (Mg/In = 3) anionic clay with or without calcination (at 200-800 degrees C) or HCl pretreatment at different temperatures (26 and 80 degrees C) and periods (0.1 or 1.0 h) has been used for the benzylation of benzene and/or substituted benzenes by benzyl chloride. The hydrotalcite before and after its calcination or HCl pretreatment was characterized for its surface area, crystalline phases and basicity. The hydrotalcite particularly after its use in the benzylation reaction, and the catalyst derived from it by its calcination at 800 degrees C followed by HCl pretreatment (at 80 degrees C for 1.0 h), shows high catalytic activity even for the benzylation of benzene. The catalytically active species present in the catalyst in its most active form are the chlorides and oxides of indium on the catalyst surface. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {activation of In-Mg-hydrotalcite by calcination, activation of In-Mg-hydrotalcite by HCl pretreatment, benzylation of benzene, benzylation of substituted benzenes, In-Mg-hydrotalcite}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.06.003}, author = {Choudhary, Vasant R. and Jha, Rani and Narkhede, V. S.} } @article { ISI:000227966600021, title = {Insight into the mechanism of selective mono-N-methylation of aniline on Cu1-xZnxFe2O4: a DRIFTS study}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {231}, number = {1-2}, year = {2005}, month = {APR}, pages = {169-180}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Mechanism of selective mono-N-methylation of aniline with methanol on Cu1-xZn2FeO4 catalysts was investigated in detail. The interaction of reactants (aniline. methanol and methanol: aniline) and possible products (N-methylaniline (NMA), N,N-dimethylaniline (DMA) and o-toluidine (OT)) on catalysts surface was studied by temperature-dependent in situ FTIR spectroscopy. Methanol adsorbs dissociatively over catalysts surface at 373 K as methoxy species and is oxidized to formate species at high temperature through dioxymethylene and/or formaldehyde as a surface intermediate species. On the other hand, adsorption of aniline:methanol mixtures shows that methanol oxidation was completely hindered in the presence of aniline. Aniline adsorbs on the Lewis acid sites at \<= 373 K with phenyl ring oriented in a perpendicular manner to the catalyst surfaced however, N-H bond scission occurs above 373 K. A comparison of adsorbed NMA and methanol: am line (3:1) mixture on Cu0.5Zn0.5Fe2O4 shows NMA forms from the reaction mixture at 473 K. However, maximum activity at 573 K in catalytic reaction studies suggests that desorption limits the methylation kinetics. FTIR study displays stable aniline and methyl species on ZnFe2O4 even at 573 K; however. no methyl species is detected on Cr0.95Zn0.05Fe2O4 at 473 K due to methanol reforming reaction and that limits the overall reaction and hence low catalytic activity. It is proposed that methanol is protonated on catalysts surface by the labile H+ due to N-H bond scission. Co-adsorption of acidity probes with aniline and methanol indicates that aniline methylation takes place at single acid-base site. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Aniline, Cu1-xZnxFe2O4, desorption limited, DRIFT, IR, Methanol, N-methylaniline, N-methylation, reaction mechanism}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.01.014}, author = {Vijayaraj, M. and Murugan, B. and Shubhangi B. Umbarkar and Hegde, S. G. and Gopinath, Chinnakonda S.} } @article { ISI:000227297900050, title = {Integrated fuel cell processor for a 5-kW proton-exchange membrane fuel cell}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {5}, year = {2005}, month = {MAR}, pages = {1535-1541}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A fuel processor is a combination of a few reactors to generate hydrogen required for a fuel cell. The study deals with the production of hydrogen suitable for a 5-kW proton-exchange membrane fuel cell (PEMFC) for household applications using liquefied petroleum gas (LPG) as the fuel. The aim is to energy integrate the five reactors in a fuel processor, i.e., desulfurizer, steam reformer, high-temperature shift reactor, low-temperature shift reactor, preferential oxidation reactor, and various heat exchangers. Heat-exchanger network synthesis analysis has been carried out for the entire process to make the process efficient. The results obtained from the studies show that the steam reforming with LPG gives a higher concentration of hydrogen in the product of about 74\%. The fuel cell efficiency is around 34\%, and the thermal efficiency including lean gas is about 93\%. The model developed can serve as the basis for the development of an integrated PEMFC decentralized power pack for household applications.
}, issn = {0888-5885}, doi = {10.1021/ie0498450}, author = {Ratnamala, G. M. and Shah, N. and Mehta, V. and Rao, P. V. and Devotta, S.} } @article { ISI:000226473300007, title = {Interfacing biology with nanoparticles}, journal = {Current Applied Physics}, volume = {5}, number = {2}, year = {2005}, note = {Indo-Japan Workshop on Advanced Molecular Electronics and Bionics, Kyushu Inst Technol, Grad Sch Life Sci \& Syst Engn, Kitakyushu, JAPAN, DEC 11-13, 2003}, month = {FEB}, pages = {118-127}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
New approaches are constantly being developed for both the synthesis of inorganic nanomaterials and their surface modification for sensing and electronic applications. Insofar as surface modification of gold nanoparticles is concerned, thiol chemistry is the most popular approach to bind ligands to their surface. We have been pursuing the possibility of using amine functionality to bind ligands to the surface of gold nanoparticles and have found that amine binding is as strong as thiol binding. The advantages of using amine chemistry for surface modification of nanogold are many, the possibility of complexing a large variety of biomolecules such as amino acids and proteins being one of the most important. In this article, we review the work from this laboratory on the stabilization of gold nanoparticles using amino acids as well as using amino acids as reducing agents to obtain stable aqueous solutions of gold nanoparticles of variable size. We also discuss the possibility of forming bioconjugates of enzymes with gold nanoparticles decorating the surface of polymer microspheres and their application as reusable biocatalysts. There is much to be gained by marrying nanomaterials with biology with considerable spin-offs likely in both nanotechnology and biotechnology. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {amino acids{\textquoteright} enzyme immobilization, Nanoparticles, Proteins}, issn = {1567-1739}, doi = {10.1016/j.cap.2004.06.006}, author = {Mandal, Sujata and Phadtare, S. and Sastry, M.} } @article { ISI:000227818600031, title = {Isolation and characterization of an iodide bridged dimeric palladium complex in carbonylation of methanol}, journal = {Journal of Organometallic Chemistry}, volume = {690}, number = {6}, year = {2005}, month = {MAR}, pages = {1677-1681}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Palladium-catalyzed carbonylation of methanol in presence of iodide promoters was investigated. Iodide bridged palladium dimeric complex, [PPh3CH3](2)[Pd2I6] was isolated from the carbonylation reaction mixture and characterized using X-ray crystallography. Reaction mechanism was proposed based on IR and UV spectroscopic characterizations of catalytic species involved in the catalytic cycle. The isolated dimeric palladium species, [Pd2I6](2-) underwent carbonylation to give monomeric species [PdI3CO](-) at atmospheric pressure of carbon monoxide. It was also observed that PPh3 plays an important role to avoid catalyst deactivation at higher temperatures. Turnover frequency (TOF) of 1052 h(-1) was achieved using Pd(OAC)(2)-HI-PPh3 catalyst system at 175 degrees C. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {dirneric palladium, IR spectroscopy, methanol carbonylation, palladium catalyst, reaction mechanism, UV}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2005.01.010}, author = {Tonde, S. S. and Kelkar, Ashutosh A. and Bhadbhade, Mohan M. and Chaudhari, Raghunath V.} } @article { ISI:000230945400267, title = {Isopropyl 2,5-anhydro-3,4-di-O-tert-butyldiphenyl-silyl-L-ribonate}, journal = {Acta Crystallographica Section E - Structure Reports Online}, volume = {61}, number = {8}, year = {2005}, month = {AUG}, pages = {O2724-O2726}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
Determination of the crystal structure of the title compound, C40H50O5Si2, firmly established its relative configuration and hence that of some related tetrahydrofuran carboxylates. The material crystallizes with Z{\textquoteright} = 2. Except for the chiral centres, the two independent molecules are related by a pseudo-centre of symmetry.
}, issn = {1600-5368}, doi = {10.1107/S1600536805023822}, author = {Glawar, A. F. G. and Watkin, D. J. and Sanjayan, G. J. and Tranter, G. E. and Edwards, Alison A. and Fleet, George W. J.} } @article { ISI:000230467900038, title = {Isothermal kinetic study of nitric oxide adsorption and decomposition on Pd(111) surfaces: molecular beam experiments}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {27}, year = {2005}, month = {JUL}, pages = {13283-13290}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The kinetics of NO adsorption and dissociation on Pd(111) surfaces and the NO sticking coefficient (S-NO) were probed by isothermal kinetic measurements between 300 and 525 K using a molecular beam instrument. NO dissociation and N-2 productions were observed in the transient state from 425 K and above on Pd(l 11) surfaces with selective nitrogen production. Maximum nitrogen production was observed between 475 and 500 K. It was found that, at low temperatures, between 300 and 350 K, molecular adsorption occurs with a constant initial SNO of 0.5 until the Pd(I 11) surface is covered to about 70-80\% by NO. Then SNO rapidly decreases with further increasing NO coverage, indicating typical precursor kinetics. The dynamic adsorption-desorption equilibrium on Pd(I 11) was probed in modulated beam experiments below 500 K. CO titration experiments after NO dosing indicate the diffusion of oxygen into the subsurface regions and beginning surface oxidation at \>= 475 K. Finally, we discuss the results with respect to the rate-limiting character of the different elementary steps of the reaction system.
}, issn = {1520-6106}, doi = {10.1021/jp050813f}, author = {Thirunavukkarasu, K and Thirumoorthy, K and Libuda, X and Gopinath, Chinnakonda S.} } @article { ISI:000227578700042, title = {Keggin ion mediated synthesis of hydrophobized pd nanoparticles for multifunctional catalysis}, journal = {Langmuir}, volume = {21}, number = {6}, year = {2005}, month = {MAR}, pages = {2408-2413}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Development of simple and reliable protocols for the synthesis of organically soluble catalytically active metal nanoparticles is an important aspect of research in nanomaterials. We demonstrate herein the formation of Pd nanoparticles by reduction of aqueous Pd(NO3)(2) by photoexcited Keggin ions (phosphotungstate anions). This results in the formation of Pd nanoparticles capped with with Keggin ions that render the particles negatively charged. The Keggin ion capped Pd nanoparticles may then be phase transferred into nonpolar organic solvents such as toluene by electrostatic complexation with cationic surfactants such as octadecylamine at the liquid-liquid interface. This results in a new class of catalyst wherein both the Pd core and Keggin ion shell may be used in a range of catalytic reactions leading to a truly multifunctional catalyst dispersible in organic solvents.
}, issn = {0743-7463}, doi = {10.1021/la047717a}, author = {Mandal, Sujata and Das, Amitava and Srivastava, R. and Sastry, M.} } @article { ISI:000230435900058, title = {Kinetic modeling of reductive alkylation of aniline with acetone using Pd/Al2O3 catalyst in a batch slurry reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {14}, year = {2005}, month = {JUL}, pages = {5388-5396}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The kinetics of reductive alkylation of aniline with acetone was studied in a slurry reactor under isothermal conditions in a temperature range of 378-408 K using 3\% Pd/Al2O3 catalyst. Experimental data on concentration-time as well as hydrogen consumption-time profiles were obtained to study the effect of concentration of aniline, catalyst loading, and partial pressure of hydrogen. Separate controlled experiments were performed to understand the nature of the condensation reaction between aniline and acetone, which forms the Shiff{\textquoteright}s base intermediate. From the concentration-time profiles and the effect of reaction conditions, it was found that the noncatalytic equilibrium formation of the Shiff base intermediate was the slowest step in the multistep reaction sequence. Several rate equations were considered to fit the batch slurry reactor data, and rate models based on competitive dissociative adsorption of hydrogen and the reactive substrates in the rate-limiting catalytic steps were found to represent the experimental data. The kinetic parameters were evaluated by fitting the integral batch reactor data at different temperatures. The activation energies, heat of adsorption, and entropy of adsorption of all the reactant species were also evaluated.
}, issn = {0888-5885}, doi = {10.1021/ie049093+}, author = {Roy, D. and Jaganathan, Rengaswamy and Chaudhari, Raghunath V.} } @article { ISI:000227293600008, title = {Kinetics of the complete combustion of dilute propane and methyl ethyl ketone over Cr-doped ZrO2 catalyst}, journal = {Chemical Engineering Science}, volume = {60}, number = {6}, year = {2005}, month = {MAR}, pages = {1575-1581}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The kinetics of the complete combustion of propane and methyl ethyl ketone (MEK) at very low concentration in air (0.45 and 0.4 mol\% in air, respectively) over Cr-doped ZrO2 (cubic) catalyst (Cr/Zr = 0.25) at different temperatures (485-673 K) in the kinetic control regime have been investigated. The combustion rate data could be fitted well to both the power law and redox (Mars-Van Krevelen) models. From the power law model, the apparent activation energy for the combustion of propane and MEK has been found to be 16.5 and 13.2 kcal mol(-1), respectively. Among the two models, the redox one, however, gave a better fit to the kinetic data for both the combustion of propane and MEK. (C) 2004 Elsevier Ltd. All rights reserved.
}, keywords = {combustion kinetics, combustion of methyl ethyl ketone, combustion of propane, Cr-doped ZrO2 (cubic) catalyst, methyl ethyl ketone, propane}, issn = {0009-2509}, doi = {10.1016/j.ces.2004.10.028}, author = {Choudhary, Vasant R. and Deshmukh, G. M.} } @article { ISI:000226471300007, title = {Kinetics of the complete combustion of dilute propane and toluene over iron-doped ZrO2 catalyst}, journal = {Energy \& Fuels}, volume = {19}, number = {1}, year = {2005}, month = {JAN}, pages = {54-63}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The kinetics of the complete combustion of propane and toluene at very low concentrations in air (0.45 and 0.3 mol \% in air, respectively) over iron-doped ZrO2 (cubic) catalyst (Fe/Zr = 0.25) at different temperatures (598-723 K) in kinetic control regime have been investigated. The combustion rate data could be fitted very well to both the power-law and redox (Mars-Van Krevelen) models. However, the redox model provided a better fit to the kinetic data for the propane combustion. It also showed a better fit to the toluene combustion data at the lower temperatures (623 K). The reaction order (with respect to the hydrocarbon), apparent activation energy, and frequency factor (from the power-law model) for the propane combustion were 0.96 (average), 21.16 kcal/mol, and 4.67 x 10(5) Mol g(-1) h(-1) kPa(-n), respectively, and those for the toluene combustion were 0.77 (average), 26.08 kcal/mol, and 1.48 x 10(7) mol g(-1) h(-1) kPa(-n), respectively.
}, issn = {0887-0624}, doi = {10.1021/ef0498871}, author = {Choudhary, Vasant R. and Deshmukh, G. M. and Mishra, D. P.} } @article { ISI:000232838800009, title = {Knowledge incorporated support vector machines to detect faults in Tennessee Eastman Process}, journal = {Computers \& Chemical Engineering}, volume = {29}, number = {10}, year = {2005}, month = {SEP}, pages = {2128-2133}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A support vector machine with knowledge incorporation is applied to detect the faults in Tennessee Eastman Process, a benchmark problem in chemical engineering. The knowledge incorporated algorithm takes advantage of the information on horizontal translation invariance in tangent direction of the instances in dataset. This essentially changes the representation of the input data while training the algorithm. These local translations do not alter the class membership of the instances in the dataset. The results on binary as well as multiple fault detection justify the use of knowledge incorporation. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {fault detection, knowledge, support vector machines, Tennessee Eastman Process}, issn = {0098-1354}, doi = {10.1016/j.compchemeng.2005.06.006}, author = {Kulkarni, A. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000229478400004, title = {Kunitz trypsin inhibitor from chickpea (Cicer arietinum L.) that exerts anti-metabolic effect on podborer (Helicoverpa armigera) larvae}, journal = {Plant Molecular Biology}, volume = {57}, number = {3}, year = {2005}, month = {FEB}, pages = {359-374}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Chickpea (Cicer arietinum L.) seeds contain Bowman-Birk proteinase inhibitors, which are ineffective against the digestive proteinases of larvae of the insect pest Helicoverpa armigera. We have identified and purified a low expressing proteinase inhibitor (PI), distinct from the Bowman-Birk Inhibitors and active against H. armigera gut proteinases (HGP), from chickpea seeds. N-terminal sequencing of this HGP inhibitor revealed a sequence similar to reported pea (Pisum sativum) and chickpea alpha-L-fucosidases and also homologous to legume Kunitz inhibitors. The identity was confirmed by matrix assisted laser desorption ionization - time of flight analysis of tryptic peptides and isolation of DNA sequence coding for the mature protein. Available sequence data showed that this protein forms a distinct phylogenetic cluster with Kunitz inhibitors from Glycine max, Medicago truncatula, P. sativum and Canavalia lineata. The isolated coding sequence was cloned into a yeast expression vector and produced as a recombinant protein in Pichia pastoris. alpha-L-fucosidase activity was not detectable in purified or recombinant protein, by solution assays. The recombinant protein did not inhibit chymotrypsin or subtilisin activity but did exhibit stoichiometric inhibition of trypsin, comparable to soybean Kunitz trypsin inhibitor. The recombinant protein exhibited higher inhibition of total HGP activity as compared to soybean kunitz inhibitor, even though it preferentially inhibited HGP-trypsins. H. armigera larvae fed on inhibitor-incorporated artificial diet showed significant reduction in average larval weight after 18 days of feeding demonstrating potent antimetabolic activity. The over-expression of this gene in chickpea could act as an endogenous source of resistance to H. armigera.
}, keywords = {Chickpea, Cicer arietinum, fucosidase, Helicoverpa armigera, Kunitz, Proteinase inhibitor}, issn = {0167-4412}, doi = {10.1007/s11103-004-7925-2}, author = {Srinivasan, A. and Giri, Ashok P. and Harsulkar, Abhay M. and Gatehouse, J. A. and Gupta, Vidya S.} } @article { ISI:000229553300007, title = {Larvicidal activity of acacia nilotica extracts and isolation of D-pinitol - a bioactive carbohydrate}, journal = {Chemistry \& Biodiversity}, volume = {2}, number = {5}, year = {2005}, month = {MAY}, pages = {684-688}, publisher = {VERLAG HELVETICA CHIMICA ACTA AG}, type = {Article}, address = {HOFWIESENSTRASSE 26, POSTFACH, CH-8042 ZURICH, SWITZERLAND}, abstract = {
A low-molecular-weight, sugar-like compound other than glucose, fructose, sucrose, or myo-inositol showing lipophilic nature was isolated from the EtOH extract of Acacia nilotica. The structure of the compound was determined by spectral methods. This alicyclic polyalcohol was found to be D-pinitol (- 3-O-methyl-D-chiro-inositol; 1). The configuration of the compound was confirmed by single-crystal X-ray analysis. The compound I is known from Soybean, Australian mangroves, Fagonia indica, A rachis hypogaea, etc., but we have isolated this compound for the first time from the aerial parts of A. nilotica. Very few references have been cited for compound I for its entomological activity, and there are no reports on mosquitoes. Therefore, the crude extracts of A. nilotica were tested for its biological activity against mosquito larvae. Acetone extract at 500-ppm concentration showed chronic toxicity against Aedes aegypti and Culex quinquefasciatus IVth instar mosquito larvae. Such a biological activity has been observed for the first time for this plant. This study could be a stepping stone to a solution for destroying larval species as well as consumption of such a widely grown, problem weed, A. nilotica. This larvicidal agent, since it is derived from plant, is eco-friendly, cost effective, non-hazardous to nontarget organisms and would be safe unlike commercially available insecticides.
}, issn = {1612-1872}, doi = {10.1002/cbdv.200590044}, author = {Chaubal, Rohini and Pawar, P. V. and Hebbalkar, G. D. and Tungikar, V. B. and Puranik, Vedavati G. and Deshpande, V. H. and Deshpande, N. R.} } @article { ISI:000231426000052, title = {Layered inorganic-organic clay-like nanocomposites rearrange to form silsesquioxanes on acid treatment}, journal = {Journal Physical Chemistry B}, volume = {109}, number = {33}, year = {2005}, month = {AUG}, pages = {16034-16039}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The formation of talc-like compounds by the condensation of organotrialkoxy silanes with magnesium hydroxide has been recently reported. These represent layered hybrid nanomaterials that have a layer thickness of around 1 nm, have organic moieties covalently linked to the layer surfaces, and are called {\textquoteleft}{\textquoteleft}organoclays.{\textquoteright}{\textquoteright} We show that such compounds are sensitive to acid treatment. When a phenylclay is treated with hydrochloric acid, magnesium leaches out, destroying the layered structure. The extent to which magnesium is leached out is a function of the time of the acid treatment and the concentration of the acid used. Magnesium leaches out rapidly when the concentration of acid used to treat the phenyl-clay is higher, and the extent of structural magnesium that is leached out is also higher for higher acid concentrations. Removal of the magnesium rearranges the structure of the phenyl-clay to form oligomeric phenylsilsesquioxanes. FTIR and NMR suggest that the silsesquioxanes formed by acid treatment of the phenyl-clay comprise a mixture of ladderlike and cagelike structures.
}, issn = {1520-6106}, doi = {10.1021/jp0526400}, author = {Kumaraswamy, Guruswamy and Deshmukh, Yogesh S. and Agrawal, Vikrant V. and Rajmohanan, P.} } @article { ISI:000232737900009, title = {Lignin-carbohydrate complexes from sugarcane bagasse: preparation, purification, and characterization}, journal = {Carbohydrate Polymers}, volume = {62}, number = {1}, year = {2005}, month = {OCT}, pages = {57-66}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Lignin-carbohydrate complexes were isolated from sugarcane bagasse by a process, which yielded sulfur-free lignins. These could be made carbohydrate-free, if necessary, by treatment with xylanase enzyme. A study of the preparation, purification, and characterization of such lignin-carbohydrate complexes, comparison with commercial lignin samples (wood based as well as bagasse based) and some other lignin derivatives was made by using a variety of analytical tools such as FTIR, HPLC at three different UV-wavelengths, GPC, thermal analysis and elemental analysis. The use of such a diverse range of lignin-carbohydrate complex samples enabled us to predict the sensitivity of the various analytical techniques for characterization of complex polymers containing carbohydrate moieties. Evidence for lignin-carbohydrate complex was detectable by FTIR as well as HPLC studies. Thermal analysis studies showed the crucial effect of carbohydrate groups, the content of aliphatic chains, and the sulfur content of the lignins. Generalized structures of lignin-carbohydrate complexes obtained from various sources using different preparation methods and chemical modifications are presented. This will aid the applications development effort with advantageously using lignins containing low levels of carbohydrate moieties as reactive sites as well as biodegradability inducing sites. (C) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {biodegradability, hardwood lignins, lignin-carbohydrate complex, softwood lignins, Sugarcane bagasse, sulfur-free lignins, xylanase enzyme}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2005.07.011}, author = {Singh, R. and Singh, S. and Trimukhe, K. D. and Pandare, K. V. and Bastawade, Kulbhushan B. and Gokhale, D. V. and Varma, Anjanikumar} } @article { ISI:000229454100009, title = {Lilliputian hardware platform for scientific applications}, journal = {International Journal of Software Engineering and Knowledge Engineering}, volume = {15}, number = {2}, year = {2005}, note = {1st International Embedded and Hybrid Systems Conference, Singapore, SINGAPORE, MAY 11-13, 2005}, month = {APR}, pages = {189-192}, publisher = {WORLD SCIENTIFIC PUBL CO PTE LTD}, type = {Article, Proceedings Paper}, address = {5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE}, abstract = {
Microcontroller plays an important role in gearing up scientific applications for measurements, data acquisition and controls. With the advent of technology in microcontrollers, a new era in the form of microconverter is available at the user{\textquoteright}s doorstep. Benefited by the excellent features of Analog Devices{\textquoteright} microconverter chip ADuC 842, an attempt has been made to develop a Lilliputian platform for scientific applications at National Chemical Laboratory (NCL), Pune. A real time system has been developed for measuring surface tension exerted by Langmuir films formed at air water interface. The films are compressed by smooth and precision barrier mechanism through DC motor in a controlled manner. (IC)-C-2 compatible EEPROM is provided on board for data storage and it can be communicated to a PC through RS232 link for further analysis. The other features provided are, In-circuit programming for firmware updating, keyboard functioning for special routine executions, (IC)-C-2 compatible RTC and battery backup. The software has been completely developed using assembly language programming. Intelligent Lilliputian platform designed using ADuC 842 chip and graphic LCD for real time plotting of surface pressure area isotherm of Langmuir films has been developed and tested successfully at NCL.
}, keywords = {Langmuir films, microconverter}, issn = {0218-1940}, doi = {10.1142/S0218194005002361}, author = {Iyer, Neelima and Khatavkar, Rupali and Joshi, Bhagyashree and Upadhye, V.} } @article { ISI:000231930500019, title = {Liquid-phase alkylation of phenol with long-chain olefins over WOx/ZrO2 solid acid catalysts}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {240}, number = {1-2}, year = {2005}, month = {OCT}, pages = {123-131}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The liquid-phase alkylation of phenol with 1-dodecene was carried out over WOx/ZrO2 solid acid catalysts. The catalysts were prepared by wet impregnation method using zirconium oxyhydroxide and ammonium metatungstate. Catalysts with different WO3 loading (5-30 wt.\%) were prepared and calcined at 800 degrees C and catalyst with 15\% WO3 was calcined from 700-850 degrees C. All the catalysts were characterized by surface area, XRD, and FTIR. The catalyst with 15\% WO3 calcined at 800 degrees C (15 WZ-800) was found to be the most active in the reaction. The effect of temperature, molar ratio and catalyst weight on dodecene conversion and products selectivity was studied in detail. Under the optimized reaction conditions of 120 degrees C, phenol/1-dodecene molar ratio 2 and time 2 h, the catalyst 15 WZ-800 gave \> 99\% dodecene conversion with 90\% dodecylphenol selectivity. Comparison of the catalytic activity of 15 WZ-800 with sulfated zirconia calcined at 500 degrees C (SZ-500) and HP zeolite showed that activity of SZ-500 was lower than that of 15 WZ-800, while HP zeolite showed negligible activity. It is observed that the presence of water in the reaction mixture was detrimental to the catalytic activity of WOx/ZrO2. The catalyst 15 WZ-800 also found to be an efficient catalyst for alkylation of phenol with long-chain olefins like 1-octene and 1-decene. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Alkylation, long-chain olefins, phenol, tungsten oxide, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.06.046}, author = {Sarish, S. and Devassy, Biju M. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000230701800011, title = {Low temperature complete combustion of dilute toluene and methyl ethyl ketone over Mn-doped ZrO2 (cubic) catalysts}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {80}, number = {8}, year = {2005}, month = {AUG}, pages = {934-938}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
Combustion of dilute toluene and methyl ethyl ketone over Mn-doped ZrO2 catalysts prepared using different precipitating agents, such as tetra-alkyl ammonium hydroxides and NH4OH, having Mn/Zr ratios from 0.05 to 0.67, and calcined at different temperatures has been thoroughly investigated. The Mn-doped ZrO2 catalyst shows high toluene or methyl ethyl ketone combustion activity, particularly when its ZrO2 is in cubic form, when its Mn/Zr ratio is close to 0.2, and when it is prepared using tetra-methyl ammonium hydroxide as a precipitating agent and calcined at 773 K. (c) 2005 Society of Chemical Industry.
}, keywords = {combustion of methyl ethyl ketone, combustion of toluene, Mn-doped ZrO2 catalyst}, issn = {0268-2575}, doi = {10.1002/jctb.1264}, author = {Choudhary, Vasant R. and Deshmukh, G. M. and Pataskar, S. G.} } @article { ISI:000232864800029, title = {Low temperature synthesis of MgTa2O6 powders}, journal = {Materials Letters}, volume = {59}, number = {29-30}, year = {2005}, month = {DEC}, pages = {3926-3928}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A combination of digestion and further low temperature calcination to crystallize the product is employed to prepare MgTa2O6 (MT) ceramics. Freshly prepared niobium hydroxide gel is mixed with magnesium hydroxide thoroughly and allowed to react at 100 degrees C under refluxing and stirring conditions for 6-12 h. The X-ray amorphous product so formed is heated at 550 degrees C to form crystalline MgTa2O6. This is the lowest temperature so far reported for the formation of MgTa2O6. For comparison, MT powders were also prepared by the traditional solid state method. Transmission electron microscope (TEM) investigations revealed that the average particle size is 40 nm for the low temperature calcined powders. (C) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Electron microscopy, magnesium tantalate, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.07.035}, author = {Navale, SC and Samuel, V and Ravi, V} } @article { ISI:000228172600072, title = {Low-temperature complete combustion of a dilute mixture of methane and propane over transition-metal-doped ZrO2 catalysts: effect of the presence of propane on methane combustion}, journal = {Environmental Science and Technology}, volume = {39}, number = {7}, year = {2005}, month = {APR}, pages = {2364-2368}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Complete combustion of dilute methane alone or a dilute mixture of methane and propane over transition-metal (viz. Mn, Co, Cr, Fe, and Ni)-doped ZrO2 (cubic) catalysts at different temperatures (523-873 K) and a space velocity of 51 000 CM3 center dot g(-1)center dot h(-1) has been investigated for controlling methane and propane emissions from exhaust gases. The catalysts are compared for their catalytic ignition temperature and activity in the combustion of propane and methane in the presence of each other. The methane combustion activity of all the catalysts is strongly influenced by the presence of propane; it is decreased markedly. In the combustion of mixed methane and propane the Mn-doped ZrO2 and Cr-doped ZrO2 catalysts show the highest activity in the combustion of methane and propane, respectively; the Ni-doped ZrO2 shows the lowest activity in both cases. In the combustion of mixed methane and propane the propane combustion is enhanced but the methane combustion retarded when the Cr-doped ZrO2 and Mn-doped ZrO2 catalysts in a 1:1 ratio are used together in different ways (mixed or in layers).
}, issn = {0013-936X}, doi = {10.1021/es048748v}, author = {Choudhary, Vasant R. and Deshmukh, G. M. and Pataskar, S. G.} } @article { ISI:000230338900005, title = {Low-temperature synthesis of nanocrystalline powders of lithium ferrite by an autocombustion method using citric acid and glycine}, journal = {Materials Letters}, volume = {59}, number = {21}, year = {2005}, month = {SEP}, pages = {2630-2633}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nanocrystalline lithium ferrite is synthesized by an autocombustion method from the corresponding metal nitrates using citric acid as well as glycine as fuels. The ordered phase of lithium ferrite, in single phase form, with particle size of 32-36 nm and large coercivity, is obtained by this method at a low temperature of 200 degrees C. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Combustion synthesis, LiFe5O8, lithium ferrite, low-temperature synthesis, Magnetic materials, Nanomaterials}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.04.005}, author = {Verma, S. and Karande, J. and Patidar, A. and Joy, Pattayil Alias} } @article { ISI:000232871700013, title = {Magnetic and processability studies of nitrile rubber vulcanisates containing barium ferrite and carbon black}, journal = {Indian Journal of Chemical Technology}, volume = {12}, number = {5}, year = {2005}, month = {SEP}, pages = {582-587}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
Fine particles of barium ferrite (BaFe12O19) belonging to the M-type hexagonal ferrites were prepared by the conventional ceramic techniques. They were incorporated into a nitrile rubber matrix according to a specific recipe for various loadings to produce rubber ferrite composites (RFC)The percolation threshold is not reached for a maximum loading of 130 phr (parts per hundred rubber). Here in this paper, the magnetic properties and processability of the nitrile rubber based RFCs containing barium ferrite (BaF) and HAF carbon black is reported. The magnetic properties of the ceramic ferrite and these rubber ferrite composites were evaluated and it was found that the coercivity values of RFCs were less than that of the ceramic BaF, but remained constant with the loading of both the ferrite filler and carbon black. However, other properties like saturation magnetization and magnetic remanence increased with the loading of ferrite filler.
}, keywords = {barium ferrite, carbon black, Magnetic materials, nitrile rubber, rubber ferrite composites}, issn = {0971-457X}, author = {Soloman, M. A. and Kurian, P. and Anantharaman, Maliemadom R. and Joy, Pattayil Alias} } @conference { ISI:000227460600023, title = {Magnetic properties of nanosized ferrite powders synthesized by microwave-hydrothermal method}, booktitle = {Ninth International Conference on Ferrites (ICF-9)}, year = {2005}, note = {9th International Conference on Ferrites (ICF-9), San Francisco, CA, AUG 22-27, 2004}, month = {AUG}, pages = {143-148}, publisher = {Amer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USA}, organization = {Amer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USA}, address = {San Francisco, CA}, abstract = {
Nanosized powders of Fe3O4 and MgFe2O4 are synthesized by microwave-hydrothermal (MH) method. The ferrite powders thus obtained are characterized by powder X-ray diffraction, Mossbauer spectroscopy, scanning and transmission electron microscopies, vibrating sample magnetometer and AC magnetic susceptibility studies. Stoichiometric, nanosized (similar to 34 nm) Fe3O4 particles, having cubic symmetry with a(0) approximate to 8.39 angstrom, are obtained when molar ratio of Fe/NaOH used for the synthesis is 0.133. On the other hand, non-stoichiometric Fe3O4 is obtained when Fe/NaOH molar ratio is increased to 0.4. Though the powder XRD patterns of both stoichiometric and non-stoichiometric Fe3O4 are identical, Mossbauer spectroscopic studies showed different features in terms of asymmetry, intensity, isomer shift, etc. Saturation magnetization, M-s = 70 emu/g and coercivity, H-c = 178 Oe, at room temperature, are obtained for stoichiometric Fe3O4 powders. In the case of MgFe2O4, spherical, nanosized (similar to 3 nm) powders with cubic symmetry (a(0) approximate to 8.30 angstrom) and having very narrow size distribution are obtained under the MH conditions. The temperature and field dependent magnetic measurements on MgFe2O4 powders confirmed the existence of superparamagnetic state in this material with a superparamagnetic blocking temperature of 38 K below which typical magnetic hysteresis behaviour is observed.
}, isbn = {1-57498-218-4}, author = {Khollam, Y. B. and Dhage, S. R. and Verma, S. and Potdar, H. S. and Deshpande, S. B. and Joy, Pattayil Alias and Date, Sadgopal K.}, editor = {Soohoo, R. F.} } @article { ISI:000230890100064, title = {Magnetic properties of the self-doped lanthanum manganites La1-xMnO3}, journal = {Physical Review B}, volume = {72}, number = {2}, year = {2005}, month = {JUL}, pages = {024405}, publisher = {AMERICAN PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
The magnetic properties of different compositions in the self-doped lanthanum manganites, La1-xMnO3, have been studied by ac susceptibility and dc magnetization measurements in the temperature range 10-300 K. All compositions with x \< 0.125 show an anomalous decrease in the ac susceptibility and zero field cooled (ZFC) dc magnetization at low temperatures, below the ferromagnetic ordering temperature. The temperature below which this anomalous behavior is observed, T-a, varies with the degree of La vacancy in the series where the Mn4+ concentration decreases with increasing x. Moreover, T-a varies with the Mn4+ content for a given composition. However, in both cases, this temperature levels off when the concentration of Mn4+ is above 23\%. The magnetic-transition-like feature broadens and shifts to further lower temperatures with increasing magnetic fields and vanishes when measured above a certain field. A small but drastic increase in the coercivity is observed below T-a. There is a direct correlation between the shapes of the curves of the inverse of the coercivity as a function of temperature and ac susceptibility, indicating the influence of magnetic anisotropy on the characteristics of the ac susceptibility and zero field cooled magnetization curves of the self-doped compounds. The direct correlation between the changes in the coercivity and ac susceptibility as well as ZFC magnetization when measured at low magnetic fields give evidence to the role of domain wall pinning effects, which varies with the degree of self-doping or Mn4+ concentration.
}, issn = {1098-0121}, doi = {10.1103/PhysRevB.72.024405}, author = {Sankar, C. R. and Joy, Pattayil Alias} } @article { ISI:000228499400014, title = {Main chain thermotropic liquid crystalline polyurethanes containing biphenyl mesogens based on novel AB-type self-polycondensation route: FT-IR and XRD studies}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {9}, year = {2005}, month = {MAY}, pages = {1903-1912}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The detailed mesophasic characterization of main chain liquid crystalline polyurethanes containing biphenyl mesogen, which were synthesized by the novel AB-type self-polycondensation approach, was carried out by using Differential Scanning Calorimetry (DSC), Polarized Optical Microscopy (POM), variable temperature X-ray Diffraction (XRD), and Fourier Transform Infrared (FT-IR) spectroscopic studies. The type of mesophase present in these polymers was identified to be the smectic A phase by POM and XRD studies. The smectic layer thickness was found to increase as the length of the spacer increased. The effect of temperature on the hydrogen bonding was analyzed by FT-IR studies. The curve-fitting analysis of the NH stretching and C=O stretching modes of vibrations indicated a gradual decrease in hydrogen bonding during the transition from the crystalline state to the mesophase. The mesophase to isotropic liquid transition was then accompanied by the complete disappearance of the hydrogen bonding. The biphenyl bands also showed changes during phase transitions due to the coupling of biphenyl vibration modes with the urethane linkage attached to it. (c) 2005 Wiley Periodicals, Inc.
}, keywords = {FT-IR, liquid-crystalline polymers, polyurethanes, XRD studies}, issn = {0887-624X}, doi = {10.1002/pola.20668}, author = {Ranganathan, T. and Gowd, E. B. and Ramesh, C. and Kumar, Anil} } @article { ISI:000228596500024, title = {Matched asymptotic solution for flow in a semi-hyperbolic die}, journal = {Chemical Engineering Science}, volume = {60}, number = {11}, year = {2005}, month = {JUN}, pages = {3107-3110}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A semi-hyperbolic converging geometry finds application as an inexpensive elongation rheometer under certain flow conditions. We provide a matched asymptotic solution for the flow of a Newtonian fluid under no-slip boundary conditions. The predicted velocity and pressure profiles agree nearly quantitatively with CFD simulated values. Our theoretical approach has certain advantages over the known similarity solution proposed by James (1991. A.I.Ch.E. Journal 37, 59-64). (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {elongation viscosity, matched asymptotic solution, semi-hyperbolic}, issn = {0009-2509}, doi = {10.1016/j.ces.2004.12.043}, author = {Subramanian, G and Ranade, V and Nagarkar, S and Lele, Arundhati C.} } @article { ISI:000227146700004, title = {MCM-41-supported platinum carbonyl cluster-derived asymmetric hydrogenation catalyst}, journal = {Journal of Catalysis}, volume = {229}, number = {2}, year = {2005}, month = {JAN}, pages = {298-302}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Anionic platinum carbonyl cluster has been ion paired with cinchonidium groups that are chemically bound to the surface of MCM-41 and fumed silica. In the hydrogenation of methyl pyruvate or acetophenone the fumed silica-based catalyst gives zero enantioselectivity, but under optimum conditions enantiomeric excesses of \>90 and similar to40\%, respectively, are obtained with the MCM-41-based catalyst. (C) 2004 Elsevier Inc. All rights reserved.
}, keywords = {asymmetric catalysis, functionalized inorganic oxides, hydrogenation catalysts, platinum carbonyl cluster}, issn = {0021-9517}, doi = {10.1016/j.jcat.2004.11.010}, author = {Basu, Susmit and Paul, Himadri and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000227161300014, title = {Measuring organizational scientific productivity: a study at NCL}, journal = {Current Science}, volume = {88}, number = {2}, year = {2005}, month = {JAN}, pages = {223-230}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Mehta, Neeta} } @article { ISI:000226259100041, title = {Mesityllithium}, journal = {Synlett}, number = {1}, year = {2005}, month = {JAN}, pages = {184-185}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, issn = {0936-5214}, doi = {10.1055/s-2004-837196}, author = {Mhaske, Santosh B.} } @article { ISI:000230717500014, title = {Metalloantitubercular compounds part 3: synthesis, crystal structure, spectroscopy, electrochemistry and antimycobacterial activity of the copper(II) ciproploxacin (cfH) complex and its phenanthroline adduct}, journal = {Transition Metal Chemistry}, volume = {30}, number = {3}, year = {2005}, month = {APR}, pages = {334-340}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The X-ray crystal structures of two ciprofloxacin compounds, viz. [Cu(cfH)(2)(Cl)(2)] (.) 2MeOH (.) 6H2O (2) and [Cu(cfH)(phen)Cl]BF4 (.) 4H(2)O (3) are reported. Complex ( 2) has a distorted octahedral geometry, whereas for the nitrogen adduct (3) a distorted square-pyramidal geometry is seen. Significant enhancement in the antimycobacterial activity of the copper conjugates correlates with their copper redox couples (Cu2+/Cu+) probably due to its relevance to intracellular accumulations and subsequent role in generating oxidative stress.
}, issn = {0340-4285}, doi = {10.1007/s11243-004-5861-2}, author = {Saha, D. K. and Patitungkho, S. and Padhye, S. and Deobagkar, D. N. and Ozarkar, A. and Bhadbhade, Mohan M. and Gonnade, Rajesh G.} } @article { ISI:000227615900006, title = {Microwave assisted rapid synthesis of 4-amino-3,4-dihydroquinolin-2-ones from azetidin-2-ones}, journal = {Arkivoc}, number = {1}, year = {2005}, month = {JAN}, pages = {53-64}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
An efficient one-pot synthesis of 4-amino-3,4-dihydroquinolin-2-ones from 3-(2-nitrophenyl)-1, 4-disubstituted azetidin-2-ones is described. Microwave assisted transfer hydrogenation of a nitro group followed by in situ beta-lactam ring opening by the newly formed amino group is the key step in this synthesis.
}, keywords = {4-amino-3, 4-dihydroquinolin-2-ones, azetidin-2-ones, imines, ketenes, Microwave, transfer hydrogenation}, doi = {10.3998/ark.5550190.0006.106}, author = {Shirode, N. M. and Kulkarni, K. C. and Gumaste, V. K. and Deshmukh, A. R. A. S.} } @article { ISI:000229786700020, title = {Microwave promoted solvent-free one-pot synthesis of N,N {\textquoteleft}-disubstituted urea derivatives}, journal = {Journal of Chemical Research-S}, number = {3}, year = {2005}, month = {MAR}, pages = {205-208}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {
An efficient one-pot synthesis of N,N -disubstituted urea derivatives from substituted anilines, ethyl chloroformate and methyl anthranilate or methyl 3-amino-2-butenoate under microwave irradiation is reported.
}, keywords = {Anilines, methyl 3-amino-2-butenoate, methyl anthranilate, Microwave, urea derivatives}, issn = {0308-2342}, author = {Jadhav, Vinod H. and Deshpande, S. S. and Borate, Hanumant B. and Wakharkar, R. D.} } @article {43222, title = {Mild and efficient method for the synthesis of vinylogous carbamates from alkyl azides}, journal = {Tetrahedron Letters}, volume = {46}, year = {2005}, month = {FEB}, pages = {979-982}, abstract = {A mild and efficient one-pot method for the synthesis of vinylogous carbamates is reported starting from alkyl azides under a hydrogen atmosphere using 10\% Pd/C. The resulting products are useful intermediates for the synthesis of heterocyclic compounds, natural products, and in peptidomimetics. (C) 2004 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2004.12.047}, author = {Reddy, D. Srinivasa and Rajale, T. V. and Shivakumar, K. and Iqbal, Javed} } @article { ISI:000228743500067, title = {Miscibility of chitosan-hydroxyethylcellulose blends in aqueous acetic acid solutions at 35 degrees C}, journal = {Journal of Applied Polymer Science}, volume = {96}, number = {5}, year = {2005}, month = {JUN}, pages = {1996-1998}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The miscibility of blends of chitosan and hydroxyethylcellulose in a 2\% acetic acid solution was studied by viscometry, densitometry, and refractometry at 35 degrees C. The data suggest that the blends were completely miscible in all proportions. Further, the membranes were fabricated from concentrated blend solutions. The solid-state compatibility of the blends was confirmed by scanning electron microscopy. (c) 2005 Wiley Periodicals, Inc.
}, keywords = {blends, miscibility, refractive index, viscosity}, issn = {0021-8995}, doi = {10.1002/app.21421}, author = {Wali, A. C. and Naidu, B. V. K. and Mallikarjuna, N. N. and Sainkar, S. R. and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article { ISI:000232103800003, title = {Mitochondrial sequence reveals high levels of gene flow between breeds of domestic sheep from Asia and Europe}, journal = {Journal of Heredity}, volume = {96}, number = {5}, year = {2005}, month = {SEP}, pages = {494-501}, publisher = {OXFORD UNIV PRESS INC}, type = {Article}, address = {JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA}, abstract = {
Sequence variation present within the mitochondrial genome was used to investigate genetic diversity within sheep breeds from Asia and Europe. Comparison of 2027 bp of sequence from 121 animals revealed 44 phylogenetically informative nucleotide positions and a single insertion/deletion. A total of 57 haplotypes were observed which formed two distinct clades. Type A haplotypes were found in breeds from Asia (India, Indonesia, Mongolia, and Tibet), while type B haplotypes were observed at the highest frequency in breeds sourced from Europe (nine breeds from Austria, angstrom land, Finland, Spain, and northwestern Russia). The distribution of haplotypes indicates sheep appear to have the weakest population structure and the highest rate of intercontinental dispersal of any domestic animal reported to date. Only 2.7\% of the sequence variation observed was partitioned between continents, which is lower than both goat (approximately 10\%) and cattle (approximately 50\%). Diagnostic restriction fragment length polymorphism polymerase chain reaction (RFLP-PCR) tests which distinguish type A and B haplotypes were used to test an additional 223 animals from 17 breeds of European and Asian origin. A mixture of the two lineages was found in every breed except Suffolk and the Indian Garole, indicating introgression has played a major part during breed development and subsequent selection.
}, issn = {0022-1503}, doi = {10.1093/jhered/esi100}, author = {Meadows, J. R. S. and Li, K. and Kantanen, J. and Tapio, M. and Sipos, W. and Pardeshi, V. and Gupta, V. and Calvo, J. H. and Whan, V. and Norris, B. and Kijas, J. W.} } @article { ISI:000227513700006, title = {Modeling a continuous multistage liquid phase cyclohexane oxidation reactor network}, journal = {Chemical Engineering and Processing}, volume = {44}, number = {5}, year = {2005}, month = {MAY}, pages = {567-579}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A model is presented for a continuous multistage liquid phase cyclohexane oxidation reactors-in-series network, which uses, unlike previous efforts, a closed form rate model derived on the basis of the well-known free-radical kinetic mechanism of the oxidation reaction leading to a more generalized representation of the oxygen dependence of the rate. The model calculates the required transport and hydrodynamic parameters by one of the best available set of correlations shown earlier to be successfully used in cyclohexane oxidation in a well-designed laboratory reactor. Process sensitivities with regard to variables such as air rate, residence time, head pressure, inlet air composition and sparger configuration have been predicted. Some of these trends compared very well with the limited published experimental data in a three (351) agitated and sparged tank-in-series reactor system, thus partially validating the model. The model has highlighted a fairly generalized way of correlating performance data from a given reactor, namely in terms of a yield-conversion characteristic which can change depending on the mass transfer efficiency and the effective kinetics. Hence, it can aid in plant monitoring and optimization. It has also been shown how to use the same as an aid in preliminary scale-up studies based on laboratory or pilot plant reactor performance data. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {continuous multistage reactor, Cyclohexane, Liquid phase oxidation}, issn = {0255-2701}, doi = {10.1016/j.cep.2004.07.002}, author = {Bhattacharya, Arijit} } @article { ISI:000234037500002, title = {Modeling of rotary desiccant wheels}, journal = {Chemical Engineering \& Technology}, volume = {28}, number = {12}, year = {2005}, note = {Joint 5th International Symposium on Catalysis in Multiphase Reactors/4th International Symposium on Multifunctional Reactors, Portoroz-Portorose, SLOVENIA, JUN 15-18, 2005}, month = {DEC}, pages = {1473-1479}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Rotary desiccant wheels are widely used in dehumidification and energy recovery applications. In this work, we have developed a 2D, steady state model of a rotary desiccant wheel. Mass and energy balance equations for the air streams and the desiccant wheels were developed. The hydraulic diameter and surface area for heat and mass transfer were calculated based on knowledge of the flute geometry. Appropriate correlations for the Sherwood number and Nusselt number were used to estimate heat and mass transfer coefficients. The model is capable of predicting steady state behavior of desiccant wheels having at the most three sections (process, purge, and regeneration). The mathematical model was validated using a real desiccant wheel, and the calculation results are in reasonable agreement with the experimental data. Based on this model, the temperature and humidity profiles in the wheel during both the dehumidification and the regeneration processes are analyzed. The simulated results were used to gain an insight into the operation of desiccant wheels. The model and the presented results will be useful for optimizing dehumidification and energy recovery applications.
}, keywords = {1, 4-benzodioxan-2-carboxylate, 4-benzodioxan-2-carboxylic acid, doxazosin, enantio selectivity, enantiomeric ratio, ethyl 1, ethyl acetate, Lipases, transesterfication}, issn = {0930-7516}, doi = {10.1002/ceat.200500164}, author = {Harshe, Yogesh M. and Utikar, R. P. and Ranade, V. V. and Pahwa, D.} } @article { ISI:000231486900018, title = {Modeling of vaporization and cracking of liquid oil injected in a gas-solid riser}, journal = {Chemical Engineering Science}, volume = {60}, number = {22, SI}, year = {2005}, note = {7th International Conference on Gas-Liquid and Gas-Liquid-Solid, Strasbourg, FRANCE, FEB, 2005}, month = {NOV}, pages = {6049-6066}, publisher = {Chem Engn Grp Nancy}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Vaporization and cracking of liquid oil injected in a gas-solid riser (fluid catalytic cracking riser reactor) was computationally studied in this work. Evaporation of a single drop injected in a stream of gas-solid mixture was analyzed first. A model for simulating evaporation of a drop considering heat transfer from the gas phase as well as from the solid particles was developed. The model relates the evaporation rate of droplet with rate of collisions of solid particles, specific heat capacities of solid and liquid, latent heat of vaporization, relative velocity of gas and liquid and temperatures of three phases. The understanding gained from such a model was then extended to simulate evaporation of liquid drops injected in FCC risers. The Eulerian-Lagrangian approach was used to simulate simultaneous evaporation and cracking reactions occurring in FCC riser reactors. A commercial CFD code, FLUENT (of Fluent Inc., USA) was used. Four and ten lump models were used for simulating cracking reactions. Appropriate user defined functions were developed to implement heterogeneous kinetics and heat transfer models in FLUENT. A special algorithm was developed to calculate accumulated coke on catalyst particles. A boiling point range was considered for simulating realistic oil feedstock. The model was first evaluated by comparing predicted results with published industrial data. The simulations were then carried out to understand influence of key design and operating parameters on performance of FCC riser reactors. The parameters studied included; initial oil droplet distribution, catalyst inlet temperature, catalyst to oil ratio and thermal cracking. The approach, model and results presented here would be useful for optimization of FCC operation, cost to benefit analysis of new FCC nozzles and related decision-making. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {cracking reactions, Evaporation, FCC, heat transfer, riser}, issn = {0009-2509}, doi = {10.1016/j.ces.2005.04.046}, author = {Nayak, S. V. and Joshi, S. L. and Ranade, V. V.} } @article {43215, title = {Modular synthesis of cyclic peptidomimetics inspired by gamma-turns}, journal = {Organic Letters}, volume = {7}, year = {2005}, month = {MAR}, pages = {1059-1062}, abstract = {A series of peptidomimetics based on a gamma-turn motif were synthesized using a modular approach, in which N-protected piperidones were reacted with a selection of 2-hydroxyalkyl azides derived from common L-amino acids. Hydrolysis of the initially formed iminium ethers afforded the targeted series of substituted 1,4-diazepin-5-ones.}, doi = {10.1021/ol047323a}, author = {Ramanathan, S. K. and Keeler, J. and Lee, H. L. and Reddy, D. Srinavasa and Lushington, G. and Aube, J.} } @article { ISI:000230467900037, title = {Molecular beam study of the NO plus CO reaction on Pd(111) surfaces}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {27}, year = {2005}, month = {JUL}, pages = {13272-13282}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Nitric oxide (NO) reduction with carbon monoxide (CO) on the Pd(111) surface was studied under isothermal conditions by molecular beam techniques as a function of temperature, NO:CO beam composition, and beam flux. Systematic experiments were performed under transient and steady state conditions. Displacement of adsorbed CO by NO in the transient state of the reaction was observed at temperatures between 375 and 475 K for all the NO: CO compositions studied. NO accumulation occurs on Pd(l 11) surface under steady state conditions, below 475 K, due to stronger chemisorption of NO. The steady state reaction rates attain a maximum at about 475 K, nearly independent of beam composition. N-2 was found to be the major product of the reduction, along with a minor production of N2O. The production of N2 and N2O indicates molecular and dissociative adsorption of NO on Pd(l 11) at temperatures up to 525 K. Postreaction TPD measurements were performed in order to determine the nitrogen coverage under steady-state conditions. Finally, the results are discussed with respect to the rate-controlling character of the different elementary steps of the reaction system.
}, issn = {1520-6106}, doi = {10.1021/jp050478v}, author = {Thirunavukkarasu, K and Thirumoorthy, K and Libuda, J and Gopinath, Chinnakonda S.} } @article { ISI:000234827500083, title = {Molecular dynamics simulations of H2O with sites of Cu-I-FAU and Cu-II-FAU}, journal = {Studies in surface science and catalysis }, volume = {158}, number = {A-B}, year = {2005}, note = {3rd Conference of the Federation-of-European-Zeolite-Association, Prague, CZECH REPUBLIC, AUG 23-29, 2005}, month = {OCT}, pages = {655-662}, publisher = {Elsevier Science}, type = {Article, Proceedings Paper}, address = {Prague, Czech Republic}, abstract = {
A Born Oppenheimer molecular dynamic (BOMD) approach was chosen to study the interaction of water molecules with Cu-FAU models. We have compared the reactivity of Cu-I and Cu-II with the zeolite and compared the results to those calculated for Na. This Study shows a decrease of the coordination with time for Cu-I whereas there is not a significant change for Cu-II. BOMD shows also that, in the presence of water, Na+ may lead to easier cation exchange than for transition metal cations.
}, isbn = {0-444-52082-1}, issn = {0167-2991}, doi = {10.1016/S0167-2991(05)80397-0}, author = {Berthomieu, D. and Krishnamurty, S. and Heine, Thomas and Goursot, A.}, editor = {Cejka, J. and Zilkova, N. and Nachtigall, P.} } @article { ISI:000232598600005, title = {Molecular mapping of stem and leaf rust resistance in wheat}, journal = {Theoretical and Applied Genetics}, volume = {111}, number = {5}, year = {2005}, month = {SEP}, pages = {846-850}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
Stem rust caused by Puccinia graminis f. sp. tritici Eriks and Henn and leaf rust caused by Puccinia triticina Rob. ex Desm. are major constraints to wheat production worldwide. In the present study, F-4-derived SSD population, developed from a cross between Australian cultivars {\textquoteleft}Schomburgk{\textquoteright} and {\textquoteleft}Yarralinka{\textquoteright}, was used to identify molecular markers linked to rust resistance genes Lr3a and Sr22. A total of 1,330 RAPD and 100 ISSR primers and 33 SSR primer pairs selected on the basis of chromosomal locations of these genes were used. The ISSR marker UBC 840(540) was found to be linked with Lr3a in repulsion at a distance of 6.0 cM. Markers cfa2019 and cfa2123 flanked Sr22 at a distance of 5.9 cM (distal) and 6.0 cM (proximal), respectively. The use of these markers in combination would predict the presence or absence of Sr22 in breeding populations. A previously identified PCR-based diagnostic marker STS638 linked to Lr20 was validated in this population. This marker showed a recombination value of 7.1 cM with Lr20.
}, issn = {0040-5752}, doi = {10.1007/s00122-005-0005-4}, author = {Khan, R. R. and Bariana, Harbans S. and Dholakia, Bhushan B. and Naik, S. V. and Lagu, Meena D. and Rathjen, A. J. and Bhavani, Sridhar and Gupta, V. S.} } @article { ISI:000230698100015, title = {Molecular origins of wettability of hydrophobic poly(vinylidene fluoride) microporous membranes on poly(vinyl alcohol) adsorption: Surface and interface analysis by XPS}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {29}, year = {2005}, month = {JUL}, pages = {13941-13947}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
irreversible adsorption of poly(vinyl alcohol) (PVA) on hydrophobic, porous poly(vinylidene fluoride) (PVDF) membranes was carried out using aqueous PVA solution. Water permeation was observed in PVDF microporous membranes after PVA adsorption, and maximum permeability was obtained after treatment with 4\% PVA solution. Water permeability increased linearly with increasing PVA concentration up to 4\%, and then a marginal decrease with a further increase in PVA concentration occurred. PVA adsorbed PVDF membranes were subjected to intense physicochemical analysis, especially with XPS. XPS results display the presence of an interface between PVA and PVDF, and the binding energy (BE) of the interface is low for the PVDF membranes treated with 4\% PVA. Carbon from CF2-groups and F 1s core level clearly showed a decrease in its content on the surface after PVA adsorption and showed a minimum fluorine content at 4\% PVA. F Is BE shifts by 0.5 eV upon PVA adsorption and is independent of PVA concentration. EDAX analysis indicates that the bulk oxygen content remains within 4.5 +/- 0.6\% and is independent of the PVA concentration. Nonetheless, a large amount of surface atom percentage of oxygen (20 +/- 4\%) from 0 Is core level shows an increase in PVA content on the surface of PVDF, and it is restricted mostly to the surface. The 4\% PVA treated PVDF membrane clearly shows a broadening of O 1s core level to lower BE and indicates the interaction between PVDF and PVA which is significantly different compared to any other compositions. A new valence band feature at low BE, which is nonexistent on PVDF, develops after PVA adsorption. This indicates that the shift in the nature of the highest occupied molecular orbital (HOMO) derived mostly from oxygen; simultaneously, a suppression in the PVDF derived band indicates the change in nature of the PVA adsorbed surfaces from hydrophobic to hydrophilic. The above observations also suggest an irreversible electronic interaction between PVA and PVDF, possibly through charge transfer.
}, issn = {1520-6106}, doi = {10.1021/jp050806r}, author = {Gholap, S. G. and Badiger, Manohar V. and Gopinath, Chinnakonda S.} } @article { ISI:000231397200071, title = {Morphological consequences of interchange reactions during solid state copolymerization in poly(ethylene terephthalate) and polycarbonate oligomers}, journal = {Polymer}, volume = {46}, number = {18}, year = {2005}, month = {AUG}, pages = {7443-7449}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Poly(ethylene terephthalate) (PET) (IV:0.15dL/g) oligomer was obtained by depolymerisation of high molecular weight PET. Polycarbonate (PC) oligomer (IV: 0. 15 dL/g) was synthesized by standard melt polymerization procedure using bisphenol A and diphenyl carbonate in the presence of a basic catalyst. Blends of varying compositions were prepared by melt blending the chemically distinct PET and PC oligomers. The copolymer, poly(ethylene terephthalate-co-bisphenol A carbonate) was synthesized by simultaneous solid state polymerization and ester-carbonate interchange reaction between the oligomers of PET and PC. The reaction was carried out under reduced pressure at temperatures below the melting temperature of the blend samples. DSC and WAXS techniques characterized the structure and morphology of the blends, while (NMR)-N-1 spectroscopy was used to monitor the progress of interchange reactions between the oligomers. The studies have indicated the amorphisation of the PET and PC crystalline phases in solid state with the progress of solid-state polymerization and interchange reaction. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {amorphization, poly(ethylene terephthalate), Polycarbonate}, issn = {0032-3861}, doi = {10.1016/j.polymer.2005.05.075}, author = {Gowd, EB and Ramesh, C} } @article { ISI:000228658400021, title = {Morphology and chain dynamics during collapse transition of PNIPAM gels studied by combined imaging, relaxometry and Xe-129 spectroscopy techniques}, journal = {Magnetic Resonance Imaging}, volume = {23}, number = {2, SI}, year = {2005}, note = {7th International Conference on Magnetic Resonance in Porous Media (MRPM7), Palaiseau, FRANCE, JUL 04-08, 2004}, month = {FEB}, pages = {249-253}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
The temperature-induced shape transition of poly(N-isopropylacrylamide) gels of different cross-link densities was investigated by a combination of NMR techniques allowing the characterization of both the macroscopic collapse as well as the changes on a molecular scale related to the expulsion of water from the gel network. The proton-containing gel phase was visualized by swelling in heavy water, and the volume change was monitored by proton imaging for cross-link densities between 0.5 \% and 2.5 \%. Above the transition temperature of 35 degrees C, gel collapse led to a volume change of up to a factor of 17 for the gel of smallest cross-link density. Two spectral lines of Xe-129 are found in the gel state and are assigned to the hydrophobic and hydrophilic parts of the network. In the collapsed state, the hydrophobic peak shows a strong shift while the hydrophilic peak disappears. A considerable shortening of both T-1 and T-2 of the gel protons upon collapse was found at a field of 4.7 T. At lower fields, the effect becomes more pronounced and qualitatively different dispersion behaviors between the swollen and the collapsed states are observed. (c) 2005 Elsevier Inc. All rights reserved.
}, keywords = {gel, networks, phase transition, relaxometry, Xe-129 spectroscopy}, issn = {0730-725X}, doi = {10.1016/j.mri.2004.11.019}, author = {Kariyo, Sobiroh and Kuppers, Markus and Badiger, Manohar V. and Prabhakar, A. and Jagadeesh, Bharatam and Stapf, S. and Blumich, B.} } @article { ISI:000230879300037, title = {NaIO4-mediated C-H activation of alkylbenzenes and alkanes with LiBr}, journal = {Tetrahedron Letters}, volume = {46}, number = {33}, year = {2005}, month = {AUG}, pages = {5589-5592}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
NaIO4 oxidizes lithium bromide efficiently under acidic conditions to functionalize alkylbenzenes and alkanes and produce the corresponding bromo and acetoxy derivatives in excellent yields. The protocol also demonstrates the direct conversion of cyclohexane into trans-1,2-dibromocyclohexane in moderate yield. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {alkanes, alkylbenzenes, C-H activation, Lithium bromide, NaIO4}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.06.033}, author = {Shaikh, T. M. and Sudalai, A.} } @article { ISI:000232817700072, title = {NalO(4)/LiBr-mediated diastereoselective dihydroxylation of olefins: a catalytic approach to the prevost-woodward reaction}, journal = {Organic Letters}, volume = {7}, number = {22}, year = {2005}, month = {OCT}, pages = {5071-5074}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
LlBr catalyzes efficiently the dihydroxylation of alkenes to afford syn and anti diols with excellent diastereoselectivity depending upon the use of NaIO4 (30 mol \%) or Phl(OAc)(2) (1 equiv), respectively, as the oxidants. The oxidation of non-benzylic halides has been achieved for the first time to afford the corresponding diols in excellent yields.
}, issn = {1523-7060}, doi = {10.1021/ol052080n}, author = {Emmanuvel, Lourdusamy and Shaikh, T. M. A. and Sudalai, A.} } @article { ISI:000229103900015, title = {Nanostructured tin oxide: synthesis and gas-sensing properties}, journal = {Materials Chemistry and Physics}, volume = {92}, number = {2-3}, year = {2005}, month = {AUG}, pages = {384-388}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Pure and Ru-doped nanostructured SnO2 sensing materials were synthesized using a modified Pechini route. Incorporation of Ru in SnO2 results in the reduction of particle size (8.3 nm) compared with that of the pure SnO2 (28.2 nm). Moreover, the sensor exhibited a reasonably good sensitivity towards both H-2 and liquified petroleum gas (LPG). The effect of Ru incorporation, operating temperature, and gas concentration on the structure, morphology, and sensitivity is discussed using the results of X-ray diffraction (XRD), and scanning electron microscopy (SEM) along with sensing performance. {\textcopyright} 2005 Elsevier B.V. All rights reserved.
}, keywords = {hydrogen and hydrocarbon sensor, Nanostructure, ruthenium, tin oxide}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.01.050}, author = {Niranjan, R. S. and Hwang, Young Kyu and Kim, D. K. and Jhung, S. H. and Chang, J. S. and Mulla, Imtiaz S.} } @article { ISI:000230848700026, title = {Nature of manganese species in Ce1-xMnxO2-delta solid solutions synthesized by the solution combustion route}, journal = {Chemistry of Materials}, volume = {17}, number = {15}, year = {2005}, month = {JUL}, pages = {3983-3993}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A series of manganese-cerium oxide composites with Mn concentrations in the range of 1-20 mol \% in ceria was prepared by the solution combustion technique using urea as fuel. The nature, type, and oxidation state of Mn species in ceria were investigated by X-ray diffraction (XRD), diffuse reflectance UV-visible spectroscopy, electron paramagnetic resonance (EPR), X-ray photoelectron spectroscopy, and temperature-programmed reduction techniques. The study reveals that the method of preparation significantly influences the type of manganese species in ceria. Wet-impregnation, coprecipitation, and solid-state synthesis techniques lead to clustered MnOx-like species in the ceria matrix, while the present method of preparation (solution combustion route) yields a highly dispersed form of Mn species. In the reported series of samples, Mn is present mainly in +2 and +3 oxidation states and there is no evidence for the presence of Mn 41 species. Powder X-ray diffraction studies at variable temperatures (298-1323 K) indicate the formation of Ce1-xMnxO2-delta Solid solutions. No separate MnOx-type phase was detected even at 1323 K. EPR studies reveal that the isolated Mn2+ and Mn2+ species are present in at least three different structural locations: species A, Mn ions in ceria-lattice defect sites; species B, Mn ions in framework Ce4+ locations; and species C, Mn ions in interstitial locations and at the surface of ceria. The Mn3+ ions in ceria exhibit a facile reduction and reoxidation behavior when exposed to dry hydrogen and subsequently to air at elevated. temperatures. A highly dispersed state of Mn3+ and Mn2+ in ceria, facile redox behavior, and a synergistic Mn-ceria interaction are some of the unique properties of this material prepared by the solution combustion procedure.
}, issn = {0897-4756}, doi = {10.1021/cm050401j}, author = {Murugan, B. and Ramaswamy, A. V. and Srinivas, D. and Gopinath, Chinnakonda S. and Ramaswamy, V.} } @article { ISI:000227313400027, title = {NBS-catalyzed hydroamination and hydroalkoxylation of activated styrenes}, journal = {Organic Letters}, volume = {7}, number = {5}, year = {2005}, month = {MAR}, pages = {855-857}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
N-Bromosuccinimide efficiently catalyzes the hydroamination and hydroalkoxylation of activated styrenes using tosylamides, carbamates, and alcohols as the nucleophiles to afford amino and ether derivatives, respectively. Both the processes give good to excellent yields of the products with 100\% regioselectivity (Markovnikov fashion).
}, issn = {1523-7060}, doi = {10.1021/ol047402m}, author = {Talluri, S. K. and Sudalai, A.} } @article { ISI:000227577600006, title = {New approach to the synthesis of bromochloromethane as a biocide intermediate}, journal = {Journal of the Society of Leather Technologists and Chemists}, volume = {89}, number = {1}, year = {2005}, month = {JAN}, pages = {34-35}, publisher = {SOC LEATHER TECHNOL CHEMISTS}, address = {38 ROSEHOLME RD, NORTHAMPTON NN1 4TQ, NORTHANTS, ENGLAND}, abstract = {
Preservatives are essential in the leather industry in particular to protect wet tanned and crust leather against mould damage. Preservative selection is made on the basis of ecological and toxicological aspects, statutory requirements, official regulations and their effectiveness and cost. Until legislation restricted the use of pentachlorophenol (PCP), phenolics were the predominant wet blue fungicides, but afterwards Busan 30L (Buckman Laboratories) was widely adopted in the industry. The active ingredient of Busan 30L is 2-(thiocyanomethyl)-thiobenzothiazole (TCMTB). This paper reports the synthesis of bromochloromethane (BCM) which is an important intermediate for the synthesis of TCMTB. The process which we have developed is simple and offers cleaner, low-waste technology for the synthesis of BCM using non-toxic and non-hazardous raw materials. The BCM was characterized by conventional methods, IR, (HNMR)-H-1 and mass spectra data.
}, issn = {0144-0322}, author = {Muthusubramanian, L. and Mitra, Raiat B.} } @article { ISI:000231247000001, title = {New approaches to the synthesis of anisotropic, core-shell and hollow metal nanostructures}, journal = {Journal of Materials Chemistry}, volume = {15}, number = {31}, year = {2005}, month = {APR}, pages = {3161-3174}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The synthesis of nanomaterials with control over size, shape and chemical composition continues to be a major challenge in nanoscience. The requirements of nanomaterial synthesis are becoming more sophisticated and, in addition to anisotropic structures, there is much excitement surrounding the development of recipes for the synthesis of core-shell and hollow nanostructures. Much of the motivation for research in this direction stems from the unusual optoelectronic and chemical properties exhibited by such nanostructures. In this article, we review the work from this laboratory on the synthesis of flat gold nanostructures at the air-water interface, either by confining the reductant or the precursor metal ions to the air-water interface. We also describe the synthesis of phase-pure core-shell nanoparticles by immobilizing UV- and pH-dependent reducing agents on the surface of the core nanoparticles as well as the synthesis of organically soluble hollow-shell nanostructures via transmetallation reactions.
}, issn = {0959-9428}, doi = {10.1039/b502704g}, author = {Sastry, M. and Swami, A. and Mandal, Sujata and Selvakannan, P. R.} } @article { ISI:000226669000004, title = {New bis-andrographolide ether from androgphis paniculata nees and evaluation of anti-HIV activity}, journal = {Natural Product Research}, volume = {19}, number = {3}, year = {2005}, month = {APR}, pages = {223-230}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Novel bis-andrographolide ether (1) and six known compounds andrographolide, 14-deoxy-11,12-didehydroandrographolide, andrograpanin, 14-deoxyandrographolide, (+/-)-5- hydroxy-7,8-dimethoxyflavanone, and 5-hydroxy-7,8-dimethoxyflavone have been isolated from the aerial parts of Andrographis paniculota and their structures were established by spectral data. All the isolates were tested for the anti-HIV and cytotoxic activity.
}, keywords = {Acanthaceae, Andrographis paniculata, anti-HIV, bis-andrographolide ether, Cytotoxic activity}, issn = {1478-6419}, doi = {10.1080/14786410410001709197}, author = {Reddy, V. L. N. and Reddy, S. M. and Ravikanth, V. and Krishnaiah, P. and Goud, T. V. and Rao, T. P. and Ram, T. S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Venkateswarlu, Y} } @article { ISI:000227531600007, title = {New electro-active paper actuator using conducting polypyrrole: actuation behaviour in LiClO(4) acetonitrile solution}, journal = {Synthetic Metals}, volume = {149}, number = {1}, year = {2005}, month = {FEB}, pages = {53-58}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The construction of electromechanical actuator has been achieved by using the conducting polypyrrole films deposition onto a gold-coated cellophane paper. This is probably the first report of this type of paper actuator. The conducting polypyrrole was electro-generated using either galvanostatic or potentiostatic conditions at 0.5 mA/cm(2) current density or 0.7 V applied potential, respectively. The two types of actuators were constructed, namely: (1) Ppy/cellophane bi-layer; (2) Ppy/cellophane paper/Ppy tri-layer. These actuators showed a reversible and reproducible displacement in acetonitrile solution containing LiClO(4) (I M). The maximum displacement of 9.1 mm was recorded for tri-layer device and 3.5 mm for bi-layer device in 1 M LiClO(4) acetonitrile solutions. The results obtained in acetonitrile solution containing 1 M LiClO(4) shows that the actuator requires very low excitation voltage of 0.2 MV m(-1). The mechanism for this paper actuation phenomenon is addressed in this paper. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {CP-EAPap actuators, electro-active paper actuator (EAPap), large displacement actuators, lightweight actuators, Ppy/cellophane paper bi-layer, Ppy/cellophane paper/Ppy tri-layer}, issn = {0379-6779}, doi = {10.1016/j.synthmet.2004.11.001}, author = {Deshpande, S. D. and Kim, Jaehwan and Yun, S. R.} } @article { ISI:000229156500009, title = {New method for the preparation of 1,2-benzisoxazole-3-carboxaldehyde}, journal = {Journal of Chemical Research}, number = {2}, year = {2005}, month = {FEB}, pages = {99-100}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {
Synthesis of 1,2-benzisoxazole-3-carboxaldehyde is achieved from 3-methyl 1,2-benzisoxazole via 3-ethoxymethyl-1,2-benzisoxazole (4).
}, keywords = {1, 2-benzisoxazoles, benzylic bromination, indoxazenes}, issn = {0308-2342}, author = {Kalkote, Uttam R. and Panchgalle, S. R. and Mahakal, K. K. and Choudhary, S. M. and Chavan, Sayalee R.} } @article { ISI:000233685400032, title = {New route for the synthesis of propylene glycols via hydroformylation of vinyl acetate}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {25}, year = {2005}, note = {Joint 5th International Symposium on Catalysis in Multiphase Reactors/4th International Symposium on Multifunctional Reactors, Portoroz-Portorose, SLOVENIA, JUN 15-18, 2005}, month = {DEC}, pages = {9601-9608}, publisher = {Amer Chemical Soc, 1155 16th ST, NW, Washington, DC 20036 USA}, type = {Article, Proceedings Paper}, address = {Portoroz-Portorose, Slovenia}, abstract = {
Hydroformylation of vinyl acetate (VAM) has been studied as a key step in the alternative route for the synthesis of 1,2-propanediol (1,2-PDO) and 1,3-propanedol (1,3-PDO) using homogeneous rhodium (Rh) and cobalt (Co) complex catalysts. The feasibility of the VAM hydroformylation route has been demonstrated, and a detailed study has been reported on the key hydroformylation step using homogeneous Rh and Co catalysts. The roles of the catalyst precursors, ligands, and solvents in the activity and regioselectivity of the aldehyde products, i.e., 2-acetoxy propanal (2-ACPAL) and 3-acetoxy propanal (3-ACPAL), and the effect of reaction conditions have been investigated. With Rh-phosphine catalysts, 2-ACPAL is obtained with a selectivity of \> 90\%, while with cobalt carbonyl catalyst, 2-ACPAL and 3-ACPAL are formed with comparable selectivities (similar to 50\% each) thus substantially improving the selectivity of the linear aldehyde, a precursor for 1,3-PDO. In halogenated solvents with cobalt carbonyl catalyst, the selectivity to 3-ACPAL was found to increase still further (58\%). A possible mechanism to explain the variation in regioselectivity for the Rh anal Co catalysts has been discussed. In the presence of pyridine as a ligand in the Co-catalyzed hydroformylation of VAM, the rate of reaction was found to be enhanced 4-fold. The hydrogenation of acetoxypropanal isomers using Raney-Ni catalyst followed by hydrolysis using Amberlite IR-120 resin catalyst gave quantitative conversion to the mixture of 1,2- and 1,3-PDOs (\> 90\% yield).
}, issn = {0888-5885}, doi = {10.1021/ie050272g}, author = {Borole, Yogesh L. and Chaudhari, Raghunath V.} } @article { ISI:000230866000007, title = {New synthetic approach to a [1.1.6] metapara cyclophane derivative via Suzuki-Miyaura cross-coupling and ring-closing metathesis}, journal = {Advanced Synthesis \& Catalysis}, volume = {347}, number = {9}, year = {2005}, month = {JUL}, pages = {1215-1218}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The synthesis of a [1.1.6] metapara cyclophane derivative, 1,5(1,4),3(1,3)-tribenzenacycloun-decaphan-8-ene-6,11-dione, has been achieved via the Suzuki-Miyaura cross-coupling of alpha,alpha{\textquoteright}-dibromo-m-xylene with an arylboronic acid derivative followed by an allylation and ring-closing metathesis reaction sequence.
}, keywords = {Cyclophanes, olefin metathesis, Palladium, ruthenium, Suzuki-Miyaura cross-coupling}, issn = {1615-4150}, doi = {10.1002/adsc.200404373}, author = {Kotha, S and Mandal, K and Arora, KK and Pedireddi, R} } @article { ISI:000230023600008, title = {Niobium(V) chloride catalyzed microwave assisted synthesis of 2,3-unsaturated O-glycosides by the Ferrier reaction}, journal = {Tetrahedron Letters}, volume = {46}, number = {27}, year = {2005}, month = {JUL}, pages = {4555-4558}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
NbCk catalyzes the Ferrier reaction of per-O-acetylated glycals with primary, secondary, altylic, benzylic and monosaccharide alcohols to give 2,3-unsaturated alpha-glycosides in short reaction times under microwave irradiation conditions. (c) 2005 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.05.015}, author = {Hotha, Srinivas and Tripathi, A.} } @article { ISI:000232011300008, title = {Nitrogen ligands: The transition metal catalyzed reaction of aryl halides with olefins (Mizoroki-Heck), phenylboronic acid (Suzuki coupling) and Buchwald-Hartwig amination, new catalysts and effect of co-catalysts - Aryl halide activation - Part I}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {44}, number = {9}, year = {2005}, month = {SEP}, pages = {1894-1908}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, type = {Article}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
Nitrogen ligands are an excellent alternative for the traditional P-ligands in the Pd catalyzed Mizoroki-Fleck reaction, Suzuki coupling and Buchwald-Hartwig aryl amination. Pd complexes of dimethyl glyoxime, 8-hydroxyquinoline, salen, picolinic acid, and DAB ligands gave high yields of the E-cinnamates and E-stilbenes from aryl iodides. Acetophenone oxime N, N-dimethybenzylamine and ferrocenyl oxime palladacycle are better catalysts with comparable yields, high TON (95, 000) and TOF{\textquoteright}s (2, 500 h(-1)) to P-ligand catalysts. Aryl bromides and in a few cases, aryl chlorides could also be activated by these complexes by the use of Lewis acid and (C(4)H(9))(4)NI as additives. Cy-DAB ligands gave good yields with electron rich aryl bromides and the use of ionic liquid improve the yield. These N-ligand metal complexes can be readily synthesized and the ligands possess the advantage of easy functional group modifications and convenient synthetic methods compared to P-ligands. The degradation reactions associated with P-ligands are not observed in the N-ligands, with comparable, high thermal, moisture and air stability and insensitivity. Activation of aryl bromides (Mizoroki-Fleck reaction, Suzuki reaction) could be achieved in high yields, TON and TOF (86-94\% yield, TON: 36, 000-90, 000, TOF:6, 000-11, 500 h-1) catalyzed by monomeric amine and oxime palladacycles (Cat-8, 11, 13 B) with a N-heterocyclic carbene ligand better than a phosphorous ligand. Molten (C(4)H(9))(4)NBr is an efficient ionic liquid medium for the Mizoroki-Fleck reaction of aryl bromides, giving higher yields. Low to moderate yields of aryl amination are obtained with the carbene pallaclacycle and N, N-dibenzyl piperazine Pd complexes.
}, keywords = {DAB, DMG, Mizoroki-Heck reaction, nitrogen ligands, Palladacycle}, issn = {0376-4699}, author = {Iyer, S and Kulkarni, GM and Ramesh, C and Sattar, AK} } @article { ISI:000230075800013, title = {Noncovalent and nonspecific molecular interactions of polymers with multiwalled carbon nanotubes}, journal = {Chemistry of Materials}, volume = {17}, number = {13}, year = {2005}, month = {JUN}, pages = {3389-3397}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Polymer composites containing variable amounts of multiwalled carbon nanotubes (MWNTs) have been prepared using solution dispersion and melt-shear mixing. Various polymer composites with 1 wt \% MWNTs have been found to dissolve homogeneously in organic solvents. The amount of polymer coated or wrapped MWNTs dissolved in the solution was quantified using UV-vis absorbance at 500 nm and the concentration ratio of [MWNTs](solution)/[MWNTs](composite) was close to 1. A nonspecific polymer adsorption through multiple-weak molecular interactions of CH groups with MWNTs in the composites has been identified through FTIR spectroscopy. The composites of polybutadiene with different wt \% of MWNTs showed slight changes in the CH bending vibrations, indicating the presence of intermolecular CH-pi interactions. The dissolution of various polymer composites containing low concentration of MWNTs in organic solvents was attributed to polymer coating on the MWNTs via noncovalent and nonspecific CH-pi interactions. The dissolution of MWNTs in organic solvents using common polymers used in this study indicates that the coating or wrapping is a general phenomenon occurring between polymers and carbon nanotubes.
}, issn = {0897-4756}, doi = {10.1021/cm047866e}, author = {Baskaran, Durairaj and Mays, Jimmy W. and Bratcher, Matthew S.} } @article { ISI:000229782600017, title = {Novel, benign, solid catalysts for the oxidation of hydrocarbons}, journal = {Philosophical Transactions of the Royal Society A - Mathematical, Physical and Engineering Sciences}, volume = {363}, number = {1829}, year = {2005}, month = {APR}, pages = {1001-1012}, publisher = {ROYAL SOCIETY}, type = {Article}, address = {6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND}, abstract = {
The catalytic properties of two classes of solid catalysts for the oxidation of hydrocarbons in the liquid phase are discussed: (i) microporous solids, encapsulating transition metal complexes in their cavities and (ii) titanosilicate molecular sieves. Copper acetate dimers encapsulated in molecular sieves Y, AICM-22 and VPI-5 use dioxygen to regioselectively ortho-hydroxylate L-tyrosine to L-dopa, phenol to catechol and cresols to the corresponding o-dihydroxy and o-quinone compounds. Monomeric copper phthalocyanine and salen complexes entrapped in zeolite-Y oxidize methane to methanol, toluene to cresols, naphthalene to naphthols, xylene to xylenols and phenol to diphenols. Trimeric mu(3)-oxo-bridged Co/Mn cluster complexes, encapsulated inside Y-zeolite, oxidize para-xylene, almost quantitatively, to terephthalic acid. In almost all cases, the intrinsic catalytic activity (turnover frequency) of the metal complex is enhanced very significantly, upon encapsulation in the porous solids. Spectroscopic and electrochemical studies suggest that the geometric distortions of the complex on encapsulation change the electron density at the metal ion site and its redox behaviour, thereby influencing its catalytic activity and selectivity in oxidation reactions. Titanosilieate molecular sieves can oxidize hydrocarbons using dioxygen when loaded with transition metals like Pd, An or Ag. The structure of surface Ti ions and the type of oxo-Ti species generated on contact with oxidants depend on several factors including the method of zeolite synthesis, zeolite structure, solvent, temperature and oxidant. Although, similar oxo-Ti species are present on all the titanosilicates, their relative concentrations vary among different structures and determine the product selectivity.
}, keywords = {benign catalytic oxidations, encapsulated metal complexes, Solid catalysts, titanosilicate molecular sieves}, issn = {1364-503X}, doi = {10.1098/rsta.2004.1538}, author = {Ratnasamy, P and Raja, R and Srinivasi, D} } @article { ISI:000232815200010, title = {Novel enzymatic route for kinetic resolution of (+/-)1,4-benzodioxan-2-carboxylic acid}, journal = {Biochemical Engineering Journal}, volume = {27}, number = {1}, year = {2005}, month = {DEC}, pages = {66-71}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {Ethyl 1,4-benzodioxan-2-carboxylate is used as an intermediate compound for the production of drug doxazosin mesylate. The title compound was kinetically resolved to get S-enantiomer of ethyl 1,4-benzodioxan 2-carboxylate in a simple lipase catalyzed transesterificafion reaction. Ethyl acetate was used as reaction medium as well as acyl donor. The influence of the enzyme source and time of reaction on the enantio selectivity of product were studied. Lipase from Candida antartica-B (Novozyme A/S) catalyzed transesterification reaction with good enantio selectivity towards S-enantiomer. The high enantiomeric ratio, E= 160, provided S-2 an acceptable chemical yield (50\%) and enaritiomeric excess (>95\%). (c) 2005 Elsevier B.V. All rights reserved.}, keywords = {1, 4-benzodioxan-2-carboxylate, 4-benzodioxan-2-carboxylic acid, doxazosin, enantio selectivity, enantiomeric ratio, ethyl 1, ethyl acetate, Lipases, transesterfication}, issn = {1369-703X}, doi = {10.1016/j.bej.2005.06.014}, author = {Kasture, Sangita M. and Varma, R and Kalkote, Uttam R. and Nene, S and Kulkarni, Bhaskar D.} } @article { ISI:000231634800045, title = {Novel low-temperature synthesis of nanosized NiZn ferrite}, journal = {Journal of the American Ceramic Society}, volume = {88}, number = {9}, year = {2005}, month = {SEP}, pages = {2597-2599}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
Nanosized NiZn ferrite powder is synthesized by a low-temperature method, using a unique combination of citric acid and glycine. An appropriate molar ratio of both citric acid and glycine offers a low-temperature synthetic route by incorporating the complexation behavior of citric acid and the combustion nature of glycine. Thermal decomposition/controlled autocatalytic combustion of the composite gel occurs at a low temperature of around 175 degrees C, with the evolution of a large amount of gases. Transmission electron microscopic studies showed that the average particle size of the ferrite obtained is similar to 2.5 nm, with a narrow size distribution. Uniformly distributed fine-grained microstructure with low porosity is obtained for a sample sintered at 1000 degrees C.
}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2005.00445.x}, author = {Verma, S. and Pradhan, S. D. and Pasricha, R. and Sainkar, S. R. and Joy, Pattayil Alias} } @conference { ISI:000245886300024, title = {Novel method for the synthesis of siloxane nanowires and filaments using gold nanoparticle catalysts}, booktitle = {International Conference on Nanoscience and Technology}, series = {International Journal of Nanoscience Series}, volume = {4}, number = {5-6}, year = {2005}, note = {International Conference on Nanoscience and Technology, Calcutta, INDIA, DEC 17-20, 2003}, month = {DEC}, pages = {1007-1010}, publisher = {World Scientific Publ Co Pte Ltd, Po Box 128 Farrer Rd, Singapore 9128, Singapore}, organization = {World Scientific Publ Co Pte Ltd, Po Box 128 Farrer Rd, Singapore 9128, Singapore}, address = { Calcutta, India}, abstract = {
A unique polymerization reaction of alkylsilanes to siloxane nanowires, filaments and tubes in presence of gold nanoparticles and water is presented. The gold nanoparticles, which catalyze this reaction also work as templates restricting the shape of the resulting polymers into wires and tubes. High resolution transmission electron microscopy images clearly reveal the presence of gold nanoparticle at the tip of each wire supporting the template hypothesis. Elemental analyses by different methods confirm the stoichiometry to be C18H37SiO1.5, when the alkylsilane used was C18H37SiH3, thus proving that the alkyl group remains intact during the polymerization reaction.
}, keywords = {gold nanoparticles, Nanowires, siloxane polymers}, doi = {10.1142/S0219581X0500398X}, author = {Bhagavatula L. V. Prasad and Stoeva, S. and Sorensen, C. M. and Klabunde, Kenneth J. and Zaikovskii, V.}, editor = {Sanyal, M. K. and Raychaudhuri, A. K. and Chakravorty, D.} } @article { ISI:000227273200009, title = {Novel one-pot synthesis of 2-Aryl-4(3H)-quinazolinones using room temperature ionic liquid as reaction medium as well as promoter}, journal = {Synthetic Communications}, volume = {35}, number = {2}, year = {2005}, month = {JUL}, pages = {231-241}, publisher = {MARCEL DEKKER INC}, type = {Article}, address = {270 MADISON AVE, NEW YORK, NY 10016 USA}, abstract = {
An efficient one-pot synthesis of 2-aryl-4(3H)-quinazolinones from 2-amino benzamides and substituted benzoyl chlorides in a room temperature ionic liquid is described. Compared with the classical reaction conditions, this new synthetic method has the advantages of recyclability of ionic liquid, very good to excellent yields (78-92\%), the absence of hazardous and expensive catalysts, and easy workup procedures giving rise to a process with minimum waste.
}, keywords = {2-amino benzamide, 2-aryl-4(3H)-quinazolinones, benzoyl chlorides, Ionic liquid}, issn = {0039-7911}, doi = {10.1081/SCC-200048433}, author = {Potewar, T. M. and Nadaf, R. N. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000225750600004, title = {Novel polymer-inorganic solid-state reaction for the synthesis of CdS nanocrystallites}, journal = {Materials Letters}, volume = {59}, number = {5}, year = {2005}, month = {FEB}, pages = {554-559}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We offer a novel polymer-inorganic solid-state reaction route for the in situ generation of nanochalcogenide semiconductor in the network of polymer which itself acts as a chalcogen source. We have exemplified feasibility of this route by reacting CdI2 with engineering thermoplastic polyphenylene sulphide (PPS). These two reactants in 1:1 and 10:1 molar ratios were simply heated at the crystalline melting temperature of PPS. The resultant products were characterized by X-ray diffractometry, Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM, with selected area electron diffraction). The prima facie observations revealed the formation of cubic nanocrystallites of US with the particle size ranging from 6 to 20 nm entrapped in modified (cyclized) PPS matrix when the reactants were taken in 10:1 molar ratio. A tentative mechanism has been suggested for such hitherto unattempted solid-state reaction. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {CdS nanocrystallites, Semiconductor, solid-state reaction, Thermoplastic polymer matrix}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.10.037}, author = {Kanade, K. G. and Hawaldar, Ranjit R. and Pasricha, R. and Radhakrishnan, S. and Seth, T. and Mulik, Uttam P. and Kale, B. B. and Amalnerkar, Dinesh P.} } @article { ISI:000232945400006, title = {Novel route for in-situ H2O2 generation from selective reduction of O-2 by hydrazine using heterogeneous Pd catalyst in an aqueous medium}, journal = {Chemical Communications}, number = {43}, year = {2005}, month = {OCT}, pages = {5399-5401}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Hydrogen peroxide in high yields can be generated with high efficiency at mild conditions (25 degrees C and atmospheric pressure) with the formation of only environment-friendly by-products (N-2 and H2O) by a reduction of O-2 by hydrazine from its hydrate/salt with its complete conversion in a short reaction period (\<= 0.5 h) using a easily separable supported Pd catalyst (Pd/Al2O3, Pd/Ga2O3 or Pd/C) in an acidic aqueous medium in the presence of bromide anions; the presence of both acid (protons) and bromide anions is essential for the selective reduction of O-2 by hydrazine to H2O2 and in their absence, the reaction leads only to the formation of water.
}, issn = {1359-7345}, doi = {10.1039/b510543a}, author = {Choudhary, Vasant R. and Samanta, C. and Jana, Prabhas} } @article { ISI:000227932000012, title = {Novel supramolecular assembly of 3,5-dinitro-4-methylbenzoic acid and trans-1,2-bis(4-pyridyl)ethene}, journal = {Tetrahedron Letters}, volume = {46}, number = {14}, year = {2005}, month = {APR}, pages = {2411-2415}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A novel organic assembly, formed between 3,5-dinitro-4-methylbenzoic acid and trans-1,2-bis(4-pyridyl)ethene under hydrothermal conditions in the presence of Pr(III) and a layered structure obtained by direct co-crystallization of the reactants at ambient conditions is reported. The structures of the complexes were established, unambiguously, by single crystal X-ray diffraction methods. (c) 2005 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.02.070}, author = {Varughese, S and Pedireddi, VR} } @article { ISI:000232612200002, title = {Novel tridentate nitrogen donor as ligand in copper catalyzed ATRP of methyl methacrylate}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {21}, year = {2005}, month = {NOV}, pages = {4996-5008}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A tridentate ligand, BPIEP: 2,6-bis[1-(2,6-diisopropyl phenylimino) ethyl] pyridine, having central pyridine unit and two peripheral imine coordination sites was effectively employed in controlled/{\textquoteright}{\textquoteright}living{\textquoteright}{\textquoteright} radical polymerization of MXU at 90 degrees C in toluene as solvent, (CuBr)-Br-I as catalyst, and ethyl-2-bromoisobutyrate (EBiB) as initiator resulting in well-defined polymers with polydispersities M-W/M-n \<= 1.23. The rate of polymerization follows first-order kinetics, k(app) = 3.4 x 10(-5) s(-1), indicating the presence of low radical concentration ([P*] \<= 10(-8)) throughout the reaction. The polymerization rate attains a maximum at a ligand-to-metal ratio of 2:1 in toluene at 90 degrees C. The solvent concentration (v/v, with respect to monomer) has a significant effect on the polymerization kinetics. The polymerization is faster in polar solvents like, diphenylether, and anisole, as compared to toluene. Increasing the monomer concentration in toluene resulted in a better control of polymerization. The molecular weights (M-n,M-SEC) increased linearly with conversion and were found to be higher than predicted molecular (M-n,M-Cal). However, the polydispersity remained narrow, i.e., \<= 1.23. The initiator efficiency at lower monomer concentration approaches a value of 0.7 in 110 min as compared to 0.5 in 330 min at higher monomer concentration. The aging of the copper salt complexed. with BPIEP had a beneficial effect and resulted in polymers with narrow polydispersitities and higher conversion. PMMA obtained at room temperature in toluene (33\%, v/v) gave PDI of 1.22 (Mn = 8500) in 48 h whereas, at 50 degrees C the PDI is 1.18 (Ma = 10,300), which is achieved in 23 h. The plot of In kapp versus 1/T gave an apparent activation energy of polymerization as (Delta E-app(not equal)) 58.29 KJ/mol and enthalpy of equilibrium (Delta H-eq(0)) to 28.8 KJ/mol. Reverse ATRP of MMA was successfully performed using AIBN in bulk as well as solution. The controlled nature of the polymerization reaction was established through kinetic studies and chain extension experiments. (c) 2005 Wiley Periodicals, Inc.
}, keywords = {2, 6-bis [1-(2, 6-diisopropyl phenylimino) ethyl] pyridine (BPIEP), Activation energy, apparent rate constant, Atom transfer radical polymerization (ATRP), diphenylether, ethyl-2-bromoisobutyrate (EBiB), methyl methacrylate, polydispersity index (PDI), Toluene}, issn = {0887-624X}, doi = {10.1002/pola.20973}, author = {Mittal, A. and Sivaram, S.} } @article { ISI:000233948800019, title = {Nucleobases in molecular recognition: molecular adducts of adenine and cytosine with COOH functional groups}, journal = {Angewandte Chemie International Edition}, volume = {44}, number = {47}, year = {2005}, month = {NOV}, pages = {7752-7757}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, keywords = {carboxylic acids, hydrogen bonds, molecular recognition, nucleobases, supramolecular chemistry}, issn = {1433-7851}, doi = {10.1002/anie.200502434}, author = {Perumal, Sathiamurthi and Suresh, E. and Pedireddi, V. R.} } @article { ISI:000233052200016, title = {O-H center dot center dot center dot O-bridged dimers linked via C-H center dot center dot center dot O and C-H center dot center dot center dot pi interactions in 4,6-di-O-benzyl-myo-inositol 1,3,5-orthoformate}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {61}, number = {11}, year = {2005}, month = {NOV}, pages = {O628-O630}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {0108-2701}, doi = {10.1107/S0108270105029422}, author = {Manoj, Kochunnoonny and Devaraj, Subramanian and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article {42470, title = {One pot four component reaction of isocyanides, dimethyl acetylenedicarboxylate and cyclobutene-1,2-diones: synthesis of spiro heterocycles}, journal = {Tetrahedron Letters}, volume = {48}, year = {2005}, month = {JAN}, pages = {1337{\textendash}1339}, abstract = {
Isocyanides, dimethyl acetylenedicarboxylate, and cyclobutene-1,2-diones react in one-pot to afford novel spirocyclic compounds with double insertion of the isocyanide.
}, doi = {10.1016/j.tetlet.2004.12.117.}, author = {Nair, Vijay and Menon, Rajeev S. and Deepthi, Ani B. and Devi, Rema and Biju, Akkattu T.} } @article { ISI:000231841800033, title = {Optimization and scale up of production of alkaline protease from Conidiobolus coronatus}, journal = {Process Biochemistry}, volume = {40}, number = {9}, year = {2005}, month = {SEP}, pages = {3152-3158}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Alkaline protease secreted by Conidiobolus coronatus has been evaluated extensively in tanneries and finds application in pre-tanning operations in leather manufacture. It is important to produce the enzyme in inexpensive and optimized media on large scale for the process to be commercially viable. The present paper describes optimization of fermentation conditions in shake flasks and scale up of production to 100 L in fermentors. The production is complete in 2-3 days comparable to bacterial fermentations. The organism utilized several carbon sources such as starch, sucrose, lactose, glucose and fructose for production. Soyabean meal at an optimum concentration of 2-3\% was found to be best inducer. Diammonium hydrogen phosphate, casamino acids and Hi-media peptone gave activities comparable to yeast extract. Preservation and stabilization studies showed that glycerol conferred considerable stabilization at room temperature while ammonium sulphate precipitated enzyme at 0.9 saturation was best with stability up to 2 years even at room temperature. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Alkaline Protease, Conidiobolus, Fermentation, Optimization, scale up}, issn = {1359-5113}, doi = {10.1016/j.procbio.2005.04.005}, author = {Laxman, Ryali Seeta and Sonawane, A. P. and More, Shivaji V. and Rao, B. S. and Rele, M. V. and Jogdand, Vitthal V. and Deshpande, V. V. and Rao, M. B.} } @article { ISI:000230698100036, title = {Optimization of nonlinear optical properties by substituent position, geometry and symmetry of the molecule: an ab initio study}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {29}, year = {2005}, month = {JUL}, pages = {14093-14101}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Static polarizability and first- and second-order hyperpolarizability tensors are computed at the correlated level for a series of para-nitroaniline derivatives. The importance of including electron correlation effects in the determination of equilibrium structure and the molecular properties is investigated. A qualitative description of the substitution effects, planarity, and symmetric effect of the molecule on the molecular susceptibility is discussed.
}, issn = {1520-6106}, doi = {10.1021/jp051355d}, author = {Davis, D and Sreekumar, K and Sajeev, Y and Pal, S} } @article { ISI:000234204300019, title = {Oriented growth of nanocrystalline gamma ferric oxide in electrophoretically deposited films}, journal = {Hyperfine Interactions}, volume = {160}, number = {1-4}, year = {2005}, note = {International Workshop on Nanomaterials, Magnetic Ions and Magnetic Semiconductors Studies mostly by Hyperfine Interactions, M S Univ Baroda, Phys Dept, Baroda, INDIA, FEB 10-14, 2004}, month = {JAN}, pages = {199-209}, publisher = {Springer, Van Godewijckstraat 30, 3311 GZ Dordrecht, Netherlands}, type = {Article, Proceedings Paper}, address = { M S Univ Baroda, Phys Dept, Baroda, INDIA}, abstract = {
Films of nanocrystalline gamma-Fe2O3 were deposited on silicon substrates by using the technique of electrophoretic deposition. The precursor powder was nanocrystalline gamma-Fe2O3, which was synthesized, using DC arc plasma in the oxygen ambient by vapour-vapour interaction in gas phase condensation; at a stabilized arc current of 40 A. This powder was characterized by X-ray diffraction, Transmission Electron Microscopy, Vibrating Sample Magnetometer and Mossbauer Spectroscopy. An increase in directional coercivity was observed in case of films deposited on silicon substrates, which is dramatically significant. Preferred orientation of almost similar sized nanocrystalline magnetic domains in deposited films is evident from the results of X-ray diffraction and Transmission Electron Microscopy results. The preferred alignment of the nanocrystallites seems to be responsible for the significant changes observed in magnetic properties of films.
}, issn = {0304-3843}, doi = {10.1007/s10751-005-9165-5}, author = {Bhave, T. M. and Balasubramanian, C. and Nagar, H. and Kulkarni, S. and Pasricha, R. and Bakare, P. P. and Date, Sadgopal K. and Bhoraskar, S. V.} } @article { ISI:000227915900011, title = {Overview on the degradability of polymer nanocomposites}, journal = {Polymer Degradation and Stability}, volume = {88}, number = {2}, year = {2005}, month = {MAY}, pages = {234-250}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Polymer nanocomposites have attracted great attention world wide from both academic and industrial points of view. The material properties of polymers can be enhanced dramatically by incorporating layered silicates at fairly low concentrations. The durability of any material depends upon several factors e.g. light, heat, microwaves, mechanical abrasion etc. The study and the effect of these factors on the performance are essentially required to extend the application limits. The durability of polymer nanocomposites has been evaluated under different environments. The present review describes the durability of different polymer nanocomposites mainly under thermal- and photoageing. Biodegradable nanoeomposites of different polymers are also discussed briefly. (c) 2004 Elsevier Ltd. All rights reserved.
}, keywords = {Biodegradation, Degradation, layered silicates, Nanocomposites, weathering}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2004.09.013}, author = {Pandey, JK and Reddy, KR and Kumar, AP and Singh, RP} } @article { ISI:000226424000005, title = {Oxidation of norbornene over vanadium-substituted phosphomolybdic acid catalysts and spectroscopic investigations}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {227}, number = {1-2}, year = {2005}, month = {MAR}, pages = {37-45}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Oxidation of norbornene has been carried out over mono-, di- and tri-vanadium-substituted phosphomolybdic acid catalysts with aqueous hydrogen peroxide (aq. H2O2) as an oxidant in different solvents. Monovanadium-substituted phosphomolybdic acid catalyst was found to be better than other catalysts for the above reaction and acetonitrile was the suitable solvent. At the optimum temperature of 60 degreesC, the norbornene conversion was 70\% and the selectivity for 2,3-epoxy norbornane was 58\%. The side products were norborneols and 2-norbornanone. The lower selectivity of 2,3-epoxy norbornane with aq. H2O2 is attributed to the simultaneous formation of other products, norborneols and 2-norbornanone. The norborneols are formed from norbornene by acid-catalyzed reaction. Other oxidants like urea-hydrogen peroxide adduct (UHP) and tert-butyl hydrogen peroxide (TBHP) were also tested for norbornene oxidation reaction. With UHP, the conversion was almost same (69\%) as that of aq. H2O2 reaction; however, 2,3-epoxy norbornane was the main product with \>97\% selectivity. Thus, the overall yield was 66.9\% at 60 degreesC after 4 h. The high selectivity with UHP is attributed to the controlled release of H2O2, absence of water and less acidic nature of UHP. With TBHP the selectivity for the epoxide was \>96\%; however, the conversion was low (27\%). A mechanism for the norbornene oxidation is believed to be proceeding via V(5+)-peroxo and V(4+)-superoxo intermediates. NMR, EPR and UV-vis spectroscopic techniques were employed to understand the reaction intermediates and reaction pathways. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {2, 3-epoxy norbornane, aq. H2O2, epoxidation, EPR, NMR, norbornene, urea-H2O2 adduct, UV-Vis, vanadium-substituted phosphomolybdic acid}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.10.005}, author = {Raj, N. K. K. and Ramaswamy, A. and Manikandan, Palanichamy} } @article { ISI:000227565800022, title = {Oxidative dehydrogenation of ethylbenzene over vanadia-alumina catalysts in the presence of nitrous oxide: structure-activity relationship}, journal = {Journal of Catalysis}, volume = {230}, number = {2}, year = {2005}, month = {MAR}, pages = {484-492}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
A series of vanadia-alumina catalysts with different vanadia contents were prepared by a wet impregnation method. The influence of the local structure of vanadia in these catalysts on the oxidative dehydrogenation of ethylbenzene with nitrous oxide was investigated. The use of N2O as a co-feed remarkably enhanced the styrene yield compared with the use of N-2. Characterization of these vanadia catalysts by XRD, FTIR, UV-vis, TPR, XPS, and V-51 NMR techniques suggests that the nature of the VOx species depends on the vanadia loading: the predominant species are monomeric vanadia at lower loadings, two-dimensional polyvanadates at intermediate loadings, and bulk-like V2O5 and AlVO4 at higher loadings. The rate of oxidative dehydrogenation (ODH) of ethylbenzene per vanadium atom increases with vanadia loading and reaches a maximum at 10 wt\%, the loading at which the surface predominantly contains polyvanadate species. The observed variation in the selectivity of products with vanadium loading indicates that the monomeric V5+ species favors dehydrogenation, whereas bulk-like V2O5 preferentially participates in the dealkylation of ethylbenzene. The vanadium species remains at a higher oxidation state in the presence of N2O, leading to a higher styrene yield. than in a N-2 atmosphere. The ODH turnover rates increased with decreasing energy of the absorption edge in the UV-vis spectrum, at low VOx coverages of less than one monolayer on the Al2O3 surface. (c) 2005 Elsevier Inc. All rights reserved.
}, keywords = {absorption edge energy, Alumina, ethylbenzene, Nitrous oxide, oxidative dehydrogenation, polyvanadates, styrene, vanadia}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.01.010}, author = {Shiju, N. R. and Anilkumar, Mettu and Mirajkar, Subhash P. and Gopinath, Chinnakonda S. and Rao, B. S. and Satyanarayana, C. V.} } @article { ISI:000227266100034, title = {Oxyfunctionalization of limonene using vanadium complex anchored on functionalized SBA-15}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {229}, number = {1-2}, year = {2005}, month = {MAR}, pages = {241-247}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
VO(Salten) complexes, where Salten = 3-[N,N{\textquoteright}-bis-3(salicylidenamino)ethyltriamine], have been covalently anchored on to functionalized SBA-15. The formation and integrity of the complex have been confirmed by elemental analysis, Fr-IR, X-ray diffraction (XRD) and BET measurements and the complex was used for the oxyfunctionalization of limonene in presence of urea hydroperoxide (UHP) as the oxidizing agent. The oxyfunctionalization of limonene resulted in limonene oxide, carvone, carvacrol and carveol. Anchored complex showed better catalytic activity than the neat complex, while the neat complexes has deactivated in the reaction due to formation of inactive alpha-oxo-bridged dimers, the covalently anchored complexes remained stable throughout the reaction. The anchored complex could be easily separated from the products and could be reused. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {covalently anchored vanadium complex, functionalized Si-SBA-15, limonene, oxofunctionalization, UHP}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.12.008}, author = {Joseph, Trissa and Halligudi, Shivappa B.} } @article { ISI:000230232100019, title = {Partial ring hydrogenation of naphthols over supported metal catalysts in supercritical carbon dioxide solvent}, journal = {Chemistry Letters}, volume = {34}, number = {6}, year = {2005}, month = {JUN}, pages = {782-783}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
Selective ring hydrogenation of naphthols to tetrahydronaphthols and tetralones proceeded at 323 K over a charcoal supported rhodium catalyst in supercritical carbon dioxide.
}, issn = {0366-7022}, doi = {10.1246/cl.2005.782}, author = {Mine, Eiichi and Haryu, E. and Arai, K. and Sato, T. and Sato, O. and Sasaki, A. and Rode, C. V. and Shirai, M.} } @article { ISI:000230753500026, title = {Pd-catalyzed oxidative kinetic resolution of 2-azido-1-arylethanols}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {44}, number = {7}, year = {2005}, month = {JUL}, pages = {1533-1535}, publisher = {NATL INST SCIENCE COMMUNICATION}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
(-)-Sparteine/Pd (II) complex in combination with oxygen as a stoichiometric oxidant, catalyses the oxidative kinetic resolution of P-azido alcohols to afford the corresponding chiral 2-azido-1-arylethanols.
}, keywords = {(-)-sparteine-Pd (II) complex, beta-azidoalcohol, chiral 2-azido-1-arylethanol, Kinetic resolution}, issn = {0376-4699}, author = {Sayyed, I. A. and Kumar, N. S. C. R. and Sudalai, A.} } @article { ISI:000229380600016, title = {Performance assessment of HC-290 as a drop-in substitute to HCFC-22 in a window air conditioner}, journal = {International Journal of Refrigeration - Revue Internationale Du Froid}, volume = {28}, number = {4}, year = {2005}, month = {JUN}, pages = {594-604}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
As per the Montreal Protocol, CFCs and HCFCs are being phased out. HCFC-22 is used in window air conditioners. This paper presents the experimental performance study of a window air conditioner with propane (HC-290), a natural refrigerant, as a drop-in substitute to HCFC-22. Experimental results showed that HC-290 had 6.6\% lower cooling capacity for the lower operating conditions and 9.7\% lower for the higher operating conditions with respect to HCFC-22. The coefficient of performance for HC290 was 7.9\% higher for the lower operating conditions and 2.8\% higher for the higher operating conditions. The energy consumption of the unit with HC-290 was lower in the range 12.4-13.5\% than HCFC-22. The discharge pressures for HC-290 were lower in the range 13.7-18.2\% than HCFC-22. For HC-290, the pressure drop was lower than HCFC-22 in both heat exchangers. This paper also presents simulation results for the heat exchangers of an HCFC-22 window air conditioner with HC-290 as a drop-in substitute. The simulation has been carried out using EVAP-COND, a heat exchanger model developed by NIST [National Institute of Standards and Technology. EVAP-COND: simulation models for finned-tube heat exchangers, Maryland, USA (2003). http://www2.bfrl.nist.gov/software/evap-cond/ [18]]. The simulated evaporator capacities are within +/- 4\% of the experimentally measured cooling capacities for both refrigerants. Simulation results for HC-290 and HCFC-22 are compared. The exit temperatures of HC-290 are lower by 0.3-1.2 degrees C in the condenser and are higher by 2.1-2.4 degrees C in the evaporator than HCFC-22. Evaporating pressures of HC-290 are lower by 2.1-3.3\% as compared to HCFC-22. The pressure drops of HC-290 are lower in both the evaporator and the condenser as compared to HCFC-22. The outlet temperatures of air for HCFC-22 and HC-290 in both heat exchangers are nearly the same. (c) 2005 Elsevier Ltd and IIR. All rights reserved.
}, keywords = {air conditioner, COP, Evaporator, experiment, performance, propane, R-22, simulation, window}, issn = {0140-7007}, doi = {10.1016/j.ijrefrig.2004.09.013}, author = {Devotta, S and Padalkar, AS and Sane, NK} } @article { ISI:000231682900021, title = {Performance assessment of HCFC-22 window air conditioner retrofitted with R-407C}, journal = {Applied Thermal Engineering}, volume = {25}, number = {17-18}, year = {2005}, month = {DEC}, pages = {2937-2949}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
This paper presents the experimental performance analysis of a 1.5 TR window air-conditioner, retrofitted with R-407C, as a substitute to HCFC-22. Experimental results showed that R-407C, for the operating conditions covered in this study, had lower cooling capacity in the range 2.1-7.9\% with respect to HCFC-22. The coefficient of performance for R-407C was lower in the range 7.9-13.5\%. The power consumption of the unit with R-407C was higher in the range 6-7\% than HCFC-22. The discharge pressures for R-407C were higher in the range 11-13\% than HCFC-22. This paper also presents simulation results of heat exchangers of an HCFC-22 window air conditioner retrofitted with R-407C. The simulation has been carried out using EVAP-COND, a heat exchanger model developed by National Institute of Standards and Technology, U.S.A. The simulated evaporator capacities are within +/- 3\% of the experimentally measured cooling capacities for both refrigerants. Simulation results for R-407C and HCFC-22 are compared. The exit temperatures of R-407C are lower by 1.9 degrees C to 5.2 degrees C in the condenser and are higher by 3.2 degrees C to 3.8 degrees C in the evaporator than HCFC-22. Evaporating pressures of R-407C are higher by 4.5-5.3\% as compared to HCFC-22. The pressure drops of R-407C are lower in both the evaporator and the condenser as compared to HCFC-22. The outlet temperatures of air for HCFC-22 and R-407C in both heat exchangers are nearly the same. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {cooling capacity, COP, measurement, performance, power consumption, R-407C}, issn = {1359-4311}, doi = {10.1016/j.applthermaleng.2005.03.002}, author = {Devotta, S and Padalkar, AS and Sane, NK} } @article { ISI:000227393300019, title = {Phase transfer of oleic acid capped NicoreAgshell nanoparticles assisted by the flexibility of oleic acid on the surface of silver}, journal = {Journal of Colloid and Interface Science}, volume = {283}, number = {2}, year = {2005}, month = {MAR}, pages = {422-431}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The phase transfer protocols in vogue for the oleic acid capped silver nanoparticles, viz., salt-induced precipitation and redispersion or phosphoric acid-induced method, are examined and compared thoroughly. A comprehensive evaluation with respect to the mechanistic aspects involved is made and the merits and demerits of the different procedures are delineated. It is found that the salt-induced precipitation and redispersion is more versatile in that the precipitate can actually be redispersed in both aqueous and organic media. However, in terms of mechanism both the routes seem to be very similar wherein the orientational change of oleic acid on the silver surface in the two different environments-organic and aqueous-plays a crucial role in the adaptability of the system to the different environments. Subsequently, this change of orientation of oleic acid on silver surface in aqueous and organic media has been utilized to phase transfer Ni-based nanoparticulate systems. The nascent oleic acid-capped Ni nanoparticles, which were synthesized by a foam-based protocol, were dispersible in water but not in nonpolar organic media such as cyclohexane or toluene. Then, just by coating a thin shell of silver on them we could achieve complete phase transfer of the NicoreAgshell from aqueous to organic media following similar procedures used for oleic acid-capped silver nanoparticles. Here, the phase transfer seems to be facilitated by the orientational flexibility of oleic acid on the silver surface as opposed to other metal surfaces as evidenced from the infrared and thermogravimetric analyses of oleic acid-capped Ni and NicoreAgshell nanoparticles. This orientation-assisted phase transfer method could be generalized and can be adapted to other systems where, if the nascent nanoparticles cannot be phase transferred as is, they can be coated by a silver shell and oleic acid making them suitable for dispersion in both aqueous and organic media. (C) 2004 Elsevier Inc. All rights reserved.
}, keywords = {(1) HNMR, FTIR, Phase transfer, transmetalation core-shell nanoparticles, UV-Vis}, issn = {0021-9797}, doi = {10.1016/j.jcis.2004.09.018}, author = {Bala, Tanushree and Swami, A. and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000226887500027, title = {Phase transitions in octanethiol-capped Ag nanocluster microfilm assemblies}, journal = {Thermochimica Acta}, volume = {426}, number = {1-2}, year = {2005}, month = {FEB}, pages = {207-212}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We describe phase transitions in microfilm assemblies of octanethiol (OT)-capped 2-4 nm-diameter Ag nanoclusters prepared from solutions with OT/Ag+ ratios of similar to50. Using DSC we observe two melting/crystallization-type reversible phase transitions: one at similar to61 degreesC due to interdigiated unattached octanethiol, and the other at similar to125 degreesC due to the phase comprised of the assembly of OT-capped nanoclusters. Increased thermal fluctuations weaken the inter-chain hydrophobic interactions between interdigitated OT molecules, leading to both phase transitions. The thiolate bond of OT-molecules bound to Ag nanoclusters are more rigid, thereby requiring a higher temperature to increase the flexibility of the alkyl chain of OT, and to melt the nanocluster assembly. The mobility of the nanoclusters in the melt is limited, and morphological features of the original assemblies are retained during recrystallization. No observable mass loss is detected up to similar to180 degreesC, above which OT molecules desorb from the Ag nanoclusters. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {differential thermal analysis, infrared spectroscopy, phase transitions, silver nanoclusters}, issn = {0040-6031}, doi = {10.1016/j.tca.2004.08.009}, author = {Ellis, A. and D{\textquoteright}Arcy-Galla, J. and Vijayamohanan, K. and Goswami, R. and Ganesan, P. G. and Ryu, C. and Ramanath, G.} } @article { ISI:000226264100002, title = {PHB synthase from Streptomyces aureofaciens NRRL 2209}, journal = {FEMS Microbiology Letters}, volume = {242}, number = {1}, year = {2005}, month = {JAN}, pages = {13-18}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
An similar to4.9 kb Sau3A I genomic DNA fragment from the Streptomyces aureofaciens NRRL 2209 aiding in the biosynthesis of PHB in recombinant Escherichia coli has been sequenced and analysed for phaC gene. The putative phaC(sa) gene of 2 kb is 79.1\% GC rich and encodes a 63.5 kDa protein. It expressed under its own promoter and significant PHA synthase activity was detected in the recombinant E coli. This is the first putative PHA synthase gene reported from a Streptomyces sp. with serine as the active nucleophile in the conserved lipase box. The phaC(sa) was found in close proximity to a regulatory gene, which apparently regulated the phaC expression. (C) 2004 Federation of European Microbiological Societies. Published by Elsevier B.V. All rights reserved.
}, keywords = {PHA synthase, PHB, Streptomyces}, issn = {0378-1097}, doi = {10.1016/j.femsle.2004.10.034}, author = {Ramachander, TVN and Rawal, SK} } @article { ISI:000232341100010, title = {Photodegradation of ethylene/propylene/polar monomers co- and terpolymers. I - Prepared by group 4 catalyst systems}, journal = {Journal of Macromolecular Science-Pure and Applied Chemistry}, volume = {A42}, number = {9}, year = {2005}, month = {SEP}, pages = {1259-1270}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
The photooxidative degradation behavior of polyethylene, its copolymers (propylene/polar monomers) and terpolymers, synthesized by a group 4 catalyst system, has been studied by Fourier transform infrared spectroscopy and confirmed with scanning elecrton microscopy for morphological changes. The kinetics of photodegradation has also been studied. Surface damage caused by polychromatic (\>= 290 nm) at 55 degrees C in air is presented in different micrographs. The rate of photodegradation is very fast in terpolymers containing polar monomers as compared with copolymers and polyethylene. Morphological study of these photodegraded samples showed a very good relation with photodegradation results.
}, keywords = {functional polyolefins, Photodegradation, UV irradiation}, issn = {1060-1325}, doi = {10.1080/10601320500189570}, author = {Fernandes, Susete N. and Correia, Sandra and Prasad, A. V. and Reddy, K. R. and Rana, S. and Lonkar, Sunil P. and Marques, Maria M. and Singh, R. P.} } @article { ISI:000230436500003, title = {Photoluminescent core-shell particles of organic dye in silica}, journal = {Journal of Luminescence}, volume = {114}, number = {1}, year = {2005}, month = {JUL}, pages = {15-23}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Using a single silica precursor, Rhodamine 6G organic dye molecules have been entrapped in silica particles resulting into core-shell particles of similar to 500 nm diameter. Energy dispersive X-ray analysis, X-ray photoelectron spectroscopy and transmission electron microscopy analysis reveals that dye molecules are trapped inside the silica particles. Photoluminescence investigations show that highly luminescent and photostable core-shell particles are formed. Such core-shell particles can be easily suspended in water and would be useful for a variety of applications. However, there is a blue shift in the photolumineseence wavelength in case of core-shell particles compared to bare dye powder sample. (c) 2004 Elsevier B.V. All rights reserved.
}, keywords = {core-shell, Luminescence, Nanoparticles, photoemission, RH06G dye, tetraethylorthosilicate (TEOS)}, issn = {0022-2313}, doi = {10.1016/j.jlumin.2004.11.005}, author = {Ethiraj, Anita S. and Hebalkar, Neha and Kharrazi, Sharmin and Urban, J. and Sainkar, S. R. and Kulkarni, S. K.} } @article { ISI:000231365900024, title = {PNA C-C+ i-motif: superior stability of PNA TC8 tetraplexes compared to DNA TC8 tetraplexes at low pH}, journal = {Chemical Communications}, number = {34}, year = {2005}, month = {JUL}, pages = {4330-4332}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Study of self-assembly of PNA TC8 monitored by UV thermal transition at 295 nm indicates formation of a C-C+ tetraplex (i-motif) in acidic pH, with higher stability than the analogous dTC(8).
}, issn = {1359-7345}, doi = {10.1039/b506870c}, author = {Sharma, NK and Ganesh, Krishna N.} } @article { ISI:000233515400012, title = {Podborer (Helicoverpa armigera Hubn.) does not show specific adaptations in gut proteinases to dietary Cicer arietinum Kunitz proteinase inhibitor}, journal = {Journal of Insect Physiology}, volume = {51}, number = {11}, year = {2005}, month = {NOV}, pages = {1268-1276}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We investigated the response of Helicoverpa armigera larvae towards ingestion of Cicer arietinum Kunitz proteinase inhibitor (CaKPI), which caused antagonistic effects on developing H. armigera larvae. CaKPI-degrading proteinases were not detectable in either control or sensitized larvae. There were negligible increases in total proteinase activity, as well as in trypsin-like and chymotrypsin-like activities of H. armigera gut proteinases (HGPs). Decrease in sensitivity of HGPs to inhibition by CaKPI was not observed when the inhibitor was fed Suggesting that the insect had not shown a specific adaptive response to dietary CaKPI. Semi-quantitative reverse transcriptase polymerase chain reaction (Q RT-PCR) analysis showed a general up-regulation of proteases in larvae that ingested CaKPI and a specific regulation of individual transcripts was not observed. CaKPI had maximum inhibitory activity against HGP derived from fourth instar larvae. CaKPI was equally potent in inhibition of HGPs derived from larvae fed on different host plants, as well as various proteinase inhibitors (Pis) to which larval adaptation was previously reported. The lack of larval response to CaKPI was attributable to the atypical active site sequence and inhibitory activity of CaKPI and/or to the pre-adaptation of H. armigera larvae due to the constant exposure to basal levels of CaKPI in chickpea seeds or a chickpea seed-based diet. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Cicer arietinum, Helicoverpa armigera, insect response, proteinase, Proteinase inhibitor}, issn = {0022-1910}, doi = {10.1016/j.jinsphys.2005.07.005}, author = {Srinivasan, A. and Chougule, Nanasaheb P. and Giri, Ashok P. and Gatehouse, J. A. and Gupta, Vidya S.} } @article { ISI:000230531100013, title = {Poly(acrylonitrile) ultrafiltration membranes. I. polymer-salt-solvent interactions}, journal = {Journal of Polymer Science Part B: Polymer Physics}, volume = {43}, number = {15}, year = {2005}, month = {AUG}, pages = {2061-2073}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Fourier transform infrared spectroscopy was used to study the interactions among LiCl, ZnCl2, and AlCl3 with NN-dimethylformamide (DMF) and poly (acrylonitrile) (PAN). It was observed that all three salts complex with DMF as well as PAN. The strength of the cation interaction with the \> C=O oxygen of DMF was found to be higher than that with the -CN group of PAN. The \> C=O stretching frequency of DMF with ZnCl2 was red shifted, indicating stronger complex formation compared with other two cations. With the addition of salt, the salt-DMF pseudo solvent was found to become a 0 solvent for PAN compared with neat DMF. This change in PAN solvation power was primarily the result of DMF-salt complexation. As a result of the complexation, Mark-Houwink constant a, was found to reduce from 0.75 (for pure DMF) to similar to 0.6 for DMF-salt solvents, indicating decreased PAN chain expansion. Comparison of intrinsic viscosity [n] values indicated that addition of salts to PAN-DMF solutions resulted in: (i) decrease in the DMF solvation. power, which causes less expanded polymer coils, and (ii) increased interpolymer chain entanglements via salt-promoted chain association. (c) 2005 Wiley Periodicals, Inc.
}, keywords = {activation energy viscosity, Additives, FT-IR, Poly(acrylonitrile), solution properties}, issn = {0887-6266}, doi = {10.1002/polb.20493}, author = {Phadke, M. A. and Musale, D. A. and Kulkarni, Sudhir S. and Karode, Sandeep K.} } @article { ISI:000230531100014, title = {Poly(acrylonitrile) ultrafiltration membranes. II. membrane morphology and permeation characteristics}, journal = {Journal of Polymer Science Part B: Polymer Physics}, volume = {43}, number = {15}, year = {2005}, month = {AUG}, pages = {2074-2085}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The rheology and phase-boundary characteristics of various solutions comprising three polyacrylonitrile (PAN) grades dissolved in solutions of N,N-dimethylformamide + salt (LiCl, ZnCl2, or AICl(3)) additives were correlated with the resulting membrane morphology as determined by microscopy and permeability measurements. The phase separation characteristics of the dope solution were not markedly affected by the PAN molecular weight (MW); however, they were affected by the salt additive. For higher MW grades, the effect of salt addition can also be masked by the increased self-association tendency of the polymer chains. PAN-B and -C membranes were clearly less asymmetric in structure than the lower MW PAN-Abased membranes. This is attributed to the higher viscosity/lower diffusivity of the PAN-13 and -C solutions, which results in slower solvent-nonsolvent exchange during the phase inversion process. Two factors reduce the incidence of surface defects (increased bubble points): (a) higher solution viscosity dampens surface perturbations during phase inversion, and (b) phase inversion pathways resulting in more homogenous morphology lead to membranes with higher bubble points. (c) 2005 Wiley Periodicals, Inc.
}, keywords = {bubble point, membranes, Morphology, phase inversion, salts, viscosity}, issn = {0887-6266}, doi = {10.1002/polb.20494}, author = {Phadke, M. A. and Kulkarni, Sudhir S. and Karode, Sandeep K. and Musale, D. A.} } @article { ISI:000231573100016, title = {Polycondensation in liquid crystalline phases of nonionic surfactants. Kinetics and morphology}, journal = {Polymer}, volume = {46}, number = {19}, year = {2005}, month = {SEP}, pages = {7961-7968}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
We have investigated acid-catalyzed polycondensation of alkoxysilane monomers in liquid crystalline phases of nonionic CnEm surfactants. The liquid crystalline phase is retained when the monomers polymerize. The high molecular weight molecules formed phase separate from the mesophase and are subsequently organized by it to form micron-sized particles. A variety of particle morphologies are formed by organization of the polymer particles in the mesophase. For condensation of dimethyldimethoxysilane (DMS, with trimethoxysilane, TMS as crosslinker) in hexagonal and lamellar phases, specific reaction conditions, viz. slow condensation kinetics and low crosslink density, give rod-like particles in hexagonal phases and sheet-like structures in lamellar phases. However, when higher acid concentrations are used, the reaction kinetics accelerates and irregular particles form. Irregular particles also form when the fraction of trifunctional crosslinker is increased, and finally complex flower-like structures form for condensation of trimethoxysilane in the hexagonal phase. The particle morphology formed is crucially dependent on the details of the polycondensation rate, crosslinker density and surfactant-monomer/oligomer interactions. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {nonionic, surfactant, templated synthesis}, issn = {0032-3861}, doi = {10.1016/j.polymer.2005.07.001}, author = {Kumaraswamy, Guruswamy and Wadekar, M. N. and Agrawal, Vikrant V. and Pasricha, R.} } @article { ISI:000228760300034, title = {Polymerization in surfactant liquid crystalline phases}, journal = {Chemistry of Materials}, volume = {17}, number = {9}, year = {2005}, month = {MAY}, pages = {2460-2465}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report the formation of cross-linked polysiloxane particles having rodlike and sheetlike morphologies by condensation of monomers in organized liquid crystalline mesophases of nonionic surfactants. The characteristic diffraction pattern obtained from the liquid crystalline surfactant assembly is preserved during polymer synthesis. The polymer colloids are rodlike when synthesized in a hexagonal mesophase and are sheetlike when synthesized in a lamellar mesophase. Interestingly, the size of the polymer particles is on the order of micrometers, viz. 3 orders of magnitude larger than the characteristic size of the surfactant mesophase. Thus, the polymers phase separate from the liquid crystalline phase during polymerization, and organize to resemble the mesophase geometry. The polymer particles are organized so as to minimize the elastic distortion of the surfactant mesophase after they phase separate. We speculate that the observed particle morphologies are formed due to the slow kinetics of polycondensation under our experimental conditions.
}, issn = {0897-4756}, doi = {10.1021/cm048240r}, author = {Wadekar, M. N. and Pasricha, R. and Gaikwad, A. B. and Kumaraswamy, Guruswamy} } @article { ISI:000230419200001, title = {Poly(pseudo)rotaxane-like network mediated by hydrogen bonds in the solid-state structure of 1,7-phenanthroline}, journal = {Crystal Growth \& Design}, volume = {5}, number = {4}, year = {2005}, month = {JUL}, pages = {1309-1312}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A unique poly(pseudo)rotaxane-like network constituted by C-H center dot center dot center dot N hydrogen bonds in the solid-state structure of 1,7-phenanthroline and a self-inclusion host-guest type assembly in its salt form have been discussed. The assemblies are characterized by single-crystal X-ray diffraction methods.
}, issn = {1528-7483}, doi = {10.1021/cg050038t}, author = {Arora, KK and Pedireddi, VR} } @article { ISI:000232326700015, title = {Porous gold nanospheres by controlled transmetalation reaction: a novel material for application in cell imaging}, journal = {Chemistry of Materials}, volume = {17}, number = {20}, year = {2005}, month = {OCT}, pages = {5000-5005}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Hollow shell nanostructures have numerous potential applications due to their interesting optical and electronic properties, which can be tuned by varying their shape, size, and shell thickness. In this paper we describe a simple galvanic replacement reaction (transmetalation reaction) involving sacrificial silver nanoparticles and Au(III) ions using a dialysis membrane. The dialysis membrane acts as a partial barrier that provides excellent control over the kinetics of reaction. This process results in the formation of porous gold nanospheres that improve the fluorescence in cell staining by offering an enhanced surface area for binding of the fluorescent dye, propidium iodide (PI). Such porous nanostructures could be ideal candidates for applications such as catalysis, enzyme immobilization, and drug delivery.
}, issn = {0897-4756}, doi = {10.1021/cm051165f}, author = {Shukla, Sourabh and Priscilla, Anie and Banerjee, Meenal and Bhonde, Ramesh R. and Ghatak, J. and Satyam, P. V. and Sastry, Murali} } @article { ISI:000233539200049, title = {Preorganizing linear (self-complementary) quadruple hydrogen-bonding arrays using intramolecular hydrogen bonding as the sole force}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {24}, year = {2005}, month = {NOV}, pages = {10067-10072}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this article we describe a rational approach for prefixing multiple cooperative binding sites in an ideal spatial arrangement on a structurally rigid backbone, constrained exclusively by intramolecular hydrogen bonding. The idea is exemplified by the ability of the self-assembling constructs la-e and 2a,b to form hydrogen-bonded dimers, whose structural preorganization has been solely effected by intramolecular hydrogen bonding. The readily accessible amidinourea backbone has been used as a common platform for the construction of a variety of such self-assembling systems. ESI mass spectrometry and single-crystal X-ray diffraction studies have been particularly effective in investigating the self-assembling propensities of these systems. Remarkably, most the H-bonded dimers reported herein undergo an unusual mode of self-assembly, using intermolecular four-membered ring hydrogen-bonded interaction, affording extended supramolecular networks.
}, issn = {0022-3263}, doi = {10.1021/jo051768a}, author = {Prabhakaran, Panchami and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000233067000013, title = {Preparation and characterization of a copper based Indian traditional drug: tamra bhasma}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {39}, number = {5}, year = {2005}, month = {OCT}, pages = {951-955}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The copper based Indian traditional drug {\textquoteleft}tamra bhasma{\textquoteright} is administered for various ailments since long. Its synthesis involves treating metallic copper with plant juices and then repeated calcination in presence of air so that the metallic state is transformed into the corresponding oxide form traditionally known as {\textquoteleft}bhasma{\textquoteright}. In this work, we present a systematic characterization of this traditional drug using various techniques like X-ray diffraction (XRD), scanning electron microscopy (SEM)-energy dispersive X-ray analysis (EDX), X-ray photoelectron spectroscopy (XPS), infrared spectroscopy (IR), thermogravimetry (TG) and surface area measurement. The results obtained were found to match very well with those of a standard copper oxide confirming the composition of the drug sample. In addition, some specific findings were also made which could help in interpreting the therapeutic properties of the traditional drug {\textquoteleft}tamra bhasma{\textquoteright}. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {copper oxide, crystallite size, tamra bhasma, traditional medicine, XPS of copper oxide, XRD}, issn = {0731-7085}, doi = {10.1016/j.jpba.2005.06.015}, author = {Wadekar, M. P. and Rode, C. V. and Bendale, Y. N. and Patil, K. R. and Prabhune, Asmita} } @article { ISI:000227046400028, title = {Preparation and characterization of composite electrodes of coconut-shell-based activated carbon and hydrous ruthenium oxide for supercapacitors}, journal = {Journal of Power Sources}, volume = {141}, number = {1}, year = {2005}, month = {FEB}, pages = {198-203}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The relationship between the structure-specific capacitance (F g(-1)) of a composite electrode consisting of activated coconut-shell carbon and hydrous ruthenium oxide (RuOx(OH)(y)) has been evaluated by impregnating various amounts of RuOx(OH)(y) into activated carbon that is specially prepared with optimum pore-size distribution. The composite electrode shows an enhanced specific capacitance of 250 F g(-1) in 1 M H2SO4 with 9 wt.\% ruthenium incorporated. Chemical and structural characterization of the composites reveals a homogeneous distribution of amorphous RuOx(OH)(y) throughout the porous network of the activated carbon. Electrochemical characterization indicates an almost linear dependence of capacitance on the amount of ruthenium owing to its pseudocapacitive nature. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {activated carbon, Composite, Electrochemical characterization, pseudocapacitance, specific capacitance, supercapacitor}, issn = {0378-7753}, doi = {10.1016/j.powsour.2004.09.008}, author = {Dandekar, M. S. and Arabale, G. and Vijayamohanan, K.} } @article { ISI:000226756100018, title = {Preparation, characterization, and water-sorption study of polyvinyl alcohol based hydrogels with grafted hydrophilic and hydrophobic segments}, journal = {Journal of Applied Polymer Science}, volume = {95}, number = {5}, year = {2005}, month = {MAR}, pages = {1129-1142}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The interpenetrating polymer network hydrogels based on poly(vinyl alcohol) were obtained by graft copolymerization of acrylamide and styrene onto polyvinyl alcohol in the presence of N,N{\textquoteright}-methylene bisacrylamide as a crosslinking agent. The hydrogels were characterized by optical microscopy, scanning electron microscopy, infrared spectral analysis, differential scanning calorimeter, and thermogravimetric analysis. The hydrogels showed enormous swelling in aqueous medium and displayed swelling characteristics, which were highly dependent on the chemical composition of the hydrogels and pH of the swelling medium. The kinetics of water uptake and the mechanisms of water transport were studied as a function of composition of the hydrogel and pH of the swelling medium. (C) 2005 Wiley Periodicals, Inc.
}, keywords = {Characterization, equilibrium swelling, grafting, IPN hydrogels, polyvinyl alcohol}, issn = {0021-8995}, doi = {10.1002/app.21344}, author = {Shukla, S. and Bajpai, A. K. and Kulkarni, R. A.} } @article { ISI:000228797100048, title = {Preparation of ferroelectric BaNb2O6 the urea method}, journal = {Materials Letters}, volume = {59}, number = {14-15}, year = {2005}, month = {JUN}, pages = {1929-1931}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A precipitate was formed when an aqueous solution of BaCl2, NbF5 and urea in required ratio (the ratio of total metal cations to the urea is five) is heated on a water bath at 100 degrees C. This precipitate on decomposition at 600 degrees C yielded the nanocrystallites of BaNb2O6 (BN), as confirmed by X-ray diffraction study (XRD). This is a much lower temperature as compared to that prepared by traditional solid state method (1000 degrees C) as reported for the formation of BaNb2O6. Transmission electron microscope (TEM) investigations revealed that the average particle size is 85 nm for the calcined powders. The room temperature dielectric constant at 1 kHz is found to be 900. The ferroelectric hysteresis loop parameters of these samples were also studied. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Chemical synthesis, electronic material, ferroelectricity, Oxides}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.02.028}, author = {Dhage, S. R. and Pasricha, R. and Ravi, V.} } @article { ISI:000228794300014, title = {Preparation of fine MgTa2O6 and Mg4Ta2O9 powders by chemical methods}, journal = {Materials Science and Engineering B-Solid State Materials for Advanced Technology}, volume = {119}, number = {2}, year = {2005}, month = {MAY}, pages = {189-191}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Two different chemical methods are applied to prepare MgTa2O6 (MT2) and Mg4Ta2O9 (M4T2) powders. A gel was formed when a aqueous solution of Mg(NO3)(2), TAF(5) and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 750 degrees C produced the fine crystallites of ternary oxide, M4T2. A simple co-precipitation technique had been successfully applied for the preparation of pure ultrafine single phase MT2. Ammonium hydroxide was used to precipitate Mg2+ and Ta5+ cations as hydroxides simultaneously. This precursor on heating at 750 degrees produces MT2 powders. The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron microscopy (TEM). (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Electron microscopy, powders-chemical preparation, X-ray methods}, issn = {0921-5107}, doi = {10.1016/j.mseb.2005.02.058}, author = {Navale, SC and Ravi, V} } @article { ISI:000228253200008, title = {Preparation of nanocrystalline ferroelectric BaNb(2)O6 by citrate gel method}, journal = {Bulletin of Materials Science}, volume = {28}, number = {2}, year = {2005}, month = {APR}, pages = {121-123}, publisher = {INDIAN ACADEMY SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
A gel was formed when a aqueous solution of BaCl2, NbF5 and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 600 degrees C yielded the nano crystallites of BaNb2O6, as confirmed by X-ray diffraction study (XRD). This is a much lower temperature as compared to that prepared by traditional solid state method (1000 degrees C) as reported for the formation of BaNb2O6. Transmission electron microscopic. (TEM) investigations revealed that the average particle size is 50 nm for the calcined powders. The room temperature dielectric constant at 1 kHz is found to be 1000. The ferroelectric hysteresis loop parameters of these samples were also studied.
}, keywords = {Ceramics, Chemical synthesis, electronic material, ferroelectricity, Oxides}, issn = {0250-4707}, doi = {10.1007/BF02704230}, author = {Gaikwad, S. P. and Samuel, V and Pasricha, R and Ravi, V} } @article { ISI:000230877900002, title = {Preparation of nanocrystalline ferroelectric CaBi2Ta2O9 by the urea method}, journal = {Ceramics International}, volume = {31}, number = {6}, year = {2005}, month = {JAN }, pages = {773-775}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A precipitate was formed when a aqueous solution of CaCl2, BiCl3, TaF5 and urea in stoichiometric ratio (total metal cations to urea ratio is 5) is heated on a water bath. This precipitate on decomposition at 600 degrees C yielded the nanocrystallites of ternary oxide CaBi2Ta2O9 (CBT) as confirmed by X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). Ferroelectric hysteresis loop parameters such as remnant polarization (P-r) and coercive field (E-C) were also determined. TEM investigations revealed that the average particle size of the polycrystalline powder is 70 nm. The room temperature dielectric constant was found to be 110. (c) 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {dielectric properties, Electron microscopy, ferroelectric properties, powders : chemical preparation}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2004.08.011}, author = {Gaikwad, S. P. and Pasricha, R and Ravi, V} } @article { ISI:000227447800010, title = {Preparation of nanocrystalline ferroelectric CaBi2TaO9 by citrate gel method}, journal = {Materials Science and Engineering B-Solid State Materials for Advanced Technology}, volume = {117}, number = {2}, year = {2005}, month = {MAR}, pages = {159-161}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A gel was formed when an aqueous solution of CaCl2, BiCl3, TaF5 and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 600degreesC yielded the nano-crystallites of ternary oxide, CaBi2Ta2O9 (CBT) as confirmed by X-ray diffraction study (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). Ferroelectric hysteresis loop parameters such as remnant polarization (P-r) and coercive field (E-C) are also determined. TEM investigations revealed that the average particle size of the polycrystalline powder is 40 nm. The room temperature dielectric constant was found to be 90. (C) 2004 Elsevier B.V All rights reserved.
}, keywords = {Bismuth, diffraction, Electron microscopy}, issn = {0921-5107}, doi = {10.1016/j.mseb.2004.11.006}, author = {Gaikwad, S. P. and Pasricha, R and Ravi, V} } @article { ISI:000230275100022, title = {Preparation of nanocrystalline LiNbO3 by citrate gel method}, journal = {Materials Letters}, volume = {59}, number = {19-20}, year = {2005}, month = {AUG}, pages = {2476-2478}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A gel was formed when an aqueous solution of Li(NO3) NbF5 and citric acid in stoichiometric ratio is heated in a water bath at 100 degrees C. This gel on decomposition at 700 degrees C produced the fine crystallites of ternary oxide, LiNbO3 (LN). The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Electron microscopy, electronic materials, lithium niobate, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.03.028}, author = {Navale, SC and Samuel, V and Ravi, V} } @article { ISI:000229379000010, title = {Preparation of nanocrystalline MgNb2O6 by citrate gel method}, journal = {Materials Letters}, volume = {59}, number = {17}, year = {2005}, month = {JUL}, pages = {2146-2148}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A gel was formed when a aqueous solution of Mg(NO3)(2), NbF5 and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 700 degrees C produced the fine crystallites of ternary oxide, MgNb2O6 (MN). The formation of MN phase and lattice parameters were determined by the powder X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Citrate gel, Electron microscopy, magnesium niobate, powders, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.02.050}, author = {Pasricha, R and Ravi, V} } @article { ISI:000231605600002, title = {Preparation of ultrafine LiTaO3 powders by citrate gel method}, journal = {Bulletin of Materials Science}, volume = {28}, number = {5}, year = {2005}, month = {AUG}, pages = {391-393}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
A gel was formed when a aqueous solution of Li(NO3), TaF5 and citric acid in stoichiometric ratio was heated in a water bath. This gel on decomposition at 700 degrees C produced fine crystallites of ternary oxide, LiTaO3 (LT). The phase contents and lattice parameters were studied by powder X-ray diffraction (XRD). Particle size and morphology were studied by transmission electron spectroscopy (TEM).
}, keywords = {Ceramics, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0250-4707}, doi = {10.1007/BF02711224}, author = {Navale, SC and Samuel, V and Ravi, V} } @article { ISI:000234066100022, title = {Pressure dependence of the dissociation of acetic, benzoic, mandelic and succinic acids at 298.15 K}, journal = {Thermochimica Acta}, volume = {439}, number = {1-2}, year = {2005}, month = {DEC}, pages = {154-157}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Dissociation constants for acetic, benzoic, mandelic and succinic acids have been measured at 298.15 K as a function of pressure up to 138.8 MPa. The spectrophotometric technique using Bromocresol Green as the optical indicator was employed up to ionic strength of 0.03 mol kg(-1) in aqueous solution. Thermodynamic dissociation constants were calculated with the Davies activity coefficient equation. The pressure dependences of the ionization constants for the weak acids can be described by the equation of Lown, Thirsk and Wynne-Jones, application of which leads to accurate partial molal volume change on ionization, Delta(V) over bar (o) and compressibility change, Delta(K) over bar (o) at 0.1 MPa. (C) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Acetic acid, benzoic acid, dissociation constants, high pressure, mandelic acid, succinic acid}, issn = {0040-6031}, doi = {10.1016/j.tca.2005.06.045}, author = {Kumar, Anil} } @article { ISI:000233616100001, title = {Proceedings of the National Conference on Nanoscience and Technology - Part II - Foreword}, journal = {Pramana-Journal of Physics}, volume = {65}, number = {5, SI}, year = {2005}, month = {NOV}, publisher = {INDIAN ACAD SCIENCES}, type = {Editorial Material}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0304-4289}, author = {Sood, AK and Ganesh, Krishna N. and Sundar, CS and Raychaudhuri, AK} } @article { ISI:000232886800001, title = {Proceedings of the National Conference on Nanoscience and Technology Part I - National Chemical Laboratory - Pune - 7-8 March 2005 - Foreword}, journal = {Pramana-Journal of Physics}, volume = {65}, number = {4, SI}, year = {2005}, month = {OCT}, pages = {547-548}, publisher = {INDIAN ACAD SCIENCES}, type = {Editorial Material}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0304-4289}, author = {Sood, AK and Ganesh, Krishna N. and Sundar, CS and Raychaudhuri, AK} } @article { ISI:000227415700018, title = {Purification and properties of a low molecular weight 1,4-beta-D-glucan glucohydrolase having one active site for carboxymethyl cellulose and xylan from an alkalothermophilic Thermomonospora sp}, journal = {Biochemical and Biophysical Research Communications}, volume = {329}, number = {1}, year = {2005}, month = {APR}, pages = {111-116}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
A low molecular weight 1,4-beta-D-glucan glucohydrolase from an extracellular culture filtrate of Thermomonospora sp. was purified to homogeneity. The molecular weight of the purified enzyme was 14.2 kDa by MALDI-TOF analysis and is in agreement with SDS-PAGE and gel filtration chromatography. The purified enzyme exhibited both endocarboxymethyl cellulase and endoxylanase activities. A kinetic method was employed to study the active site of the enzyme that hydrolyzes both carboxymethyl cellulose and xylan. The experimental data coincide well with the theoretical values calculated for the case of a single active site. Conformation and microenvironment at the active site was probed with fluorescent chemo-affinity labeling using o-phthalaidehyde as the chemical initiator. Formation of isoindole derivative resulted in complete inactivation of the enzyme to hydrolyze both xylan and CMC as judged by fluorescence studies corroborating a single active site for the hydrolysis of xylan and CMC. (C) 2005 Elsevier Inc. All rights reserved.
}, keywords = {Cellulase, CMC, OPTA, single active site, Thermomonospora sp., xylan, Xylanase}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2005.01.102}, author = {Jagtap, Sharmili and Rao, M} } @article { ISI:000228698900038, title = {PVA stabilized gold nanoparticles by use of unexplored albeit conventional reducing agent}, journal = {Materials Chemistry and Physics}, volume = {92}, number = {1}, year = {2005}, month = {JUL}, pages = {229-233}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Poly(vinyl alcohol) (PVA) stabilized gold nanoparticles have been prepared in aqueous medium using two different reducing viz.; hydrazine hydrate, a stronger reducing agent and sodium formaldehydesulfoxylate (SFS), a slightly weaker reducing agent. SFS is used for first ever time for reduction of gold metal salt. The PVA stabilized gold nanoparticles solutions are wine red to blood red coloured and are stable over a long period of time with no indication of aggregation. The solution shows strong visible light absorptions in the range of 520-540 nm, characteristics of gold nanoparticles. Powder X-ray diffraction patterns of freshly prepared films containing gold nanoparticles indicated particles size to be about 15 nm. Transmission electron microscopy (TEM) of a more than two-week-old sample revealed well-defined non-agglomerated spherical particles of about 50 nm diameter in solutions. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Chemical synthesis, electronic materials, Nanostructures, Polymer}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.01.016}, author = {Khanna, P. K. and Gokhale, R. and Subbarao, V. V. V. S. and Vishwanath, A. K. and Das, B. K. and Satyanarayana, C. V. V.} } @article { ISI:000228413800008, title = {Pyrazole-tethered heteroditopic ligands and their transition metal complexes: synthesis, structure, and reactivity}, journal = {European Journal of Inorganic Chemistry}, number = {7}, year = {2005}, month = {APR}, pages = {1254-1263}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Various pyrazole-based PN (2a-c) and N,N (3a-b) ligands have been synthesized. Using representative ligands, Ni-II, Co-II, Cu-II, and Cu-I complexes have been prepared and structurally characterized by crystallography. During complexation of Co-II and Cu-II salts, the phosphane part of the PN ligand oxidized to phosphane oxide. For N,N donor ligands, a dimeric chloro-bridged Ni-III complex was obtained. Ni-II complex 4 is an active catalyst for ethylene oligomerization. ((c) Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheirn, Germany, 2005).
}, keywords = {cobalt, Copper, hemilabile ligands, Nickel, oligomerization, Pyrazole}, issn = {1434-1948}, doi = {10.1002/ejic.200400818}, author = {Mukherjee, Anuradha and Subramanyam, U. and Puranik, Vedavati G. and Mohandas, T. P. and Sarkar, A.} } @article { ISI:000232676900017, title = {Pyridine mediated supramolecular assemblies of 3,5-dinitro substituted benzoic acid, benzamide and benzonitrile}, journal = {Tetrahedron}, volume = {61}, number = {45}, year = {2005}, month = {NOV}, pages = {10793-10800}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Synthesis and characterization of molecular assemblies of pyridine adducts, la, 2a and 3a, of 3,5-dinitrobenzoic acid, 1, 3,5-dinitrobenzamide, 2 and 3,5-dinitrobenzonitrile, 3, respectively, have been reported. All these adducts were obtained by crystallization of 1, 2 and 3 from pyridine. However, crystallization of I from pyridine in the presence of benzene resulted in the formation of a pyridinium adduct, 1b, along with a water molecule. All the adducts crystallize in a 1: 1 molecular ratio except la, which forms a 1:2 adduct, as characterized by single crystal X-ray diffraction method. The adducts crystallize in different space groups-la, orthorhombic, Pna2(1); 1b, monoclinic, P2(1); 2a, monoclinc, C2/c; 3a, triclinic, P-1. In two-dimensional arrangement, la, 1b and 3a form sheet structures. In la, within the two-dimensional sheets, large cavities are formed, which are occupied by pyridine molecules. In 1b, the sheets are catenated to form a chicken-wire network. However, 2a formed a crossed ribbon packing pattern with empty channels in the three-dimensional structure. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {3, 5-dinitrobenzamide, 5-dinitrobenzoic acid, 5-dinitrobenzonitrile, channel structures, host-guest complexes, layered structures, molecular recognition, Pyridine}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.08.080}, author = {Arora, KK and PrakashaReddy, J and Pedireddi, VR} } @article { ISI:000230522300022, title = {Quantitative method for normalization of transfection efficiency using enhanced green fluorescent protein}, journal = {Analytical Biochemistry}, volume = {342}, number = {2}, year = {2005}, month = {JUL}, pages = {341-344}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, issn = {0003-2697}, doi = {10.1016/j.ab.2005.02.006}, author = {Dandekar, D. H. and Kumar, M. and Ladha, J. S. and Ganesh, Krishna N. and Mitra, Debashis} } @article { ISI:000228868600016, title = {Rapid hydrothermal synthesis route for nanocrystalline SrZrO3 using reactive precursors}, journal = {Materials Science and Engineering B-Solid State Materials for Advanced Technology}, volume = {119}, number = {1}, year = {2005}, month = {MAY}, pages = {87-93}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Synthesis of nanocrystalline, orthorhombic (space group Pnma) SrZrO3 was achieved using appropriate molar proportions of nitrate salts of strontium and zirconium as precursors. Formation of SrZrO3 (SZ) was facilitated hydrothermally in time period as less as half-an-hour, in aqueous medium with alkaline pH as confirmed by XRD. Sample characterization was performed by FT-IR spectroscopy; powder XRD, SEM, TEM and DSC. The results have been explained by proposing a suitable reaction mechanism based on the step-wise analysis of the reaction intermediates using FT-IR as well as XRD. A double cation hydroxide composite formation is anticipated that under hydrothermal conditions results in the formation of SrZrO3. Morphology of the samples was determined with the help of SEM and TEM. The particle size distribution as seen from the TEM micrograph lies in the range of 15-25 nm. Heats of reaction for different decomposition steps were obtained by DSC. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Crystallization, diffraction, Electron microscopy, infrared spectroscopy}, issn = {0921-5107}, doi = {10.1016/j.mseb.2005.01.007}, author = {Athawale, Anjali A. and Chandwadkar, Asha J. and Karandikar, Prashant R. and Bapat, Malini S.} } @article { ISI:000232337800013, title = {R\&D spending patterns of global firms}, journal = {Research-Technology Management}, volume = {48}, number = {5}, year = {2005}, month = {SEP}, pages = {51-59}, publisher = {INDUSTRIAL RESEARCH INST INC}, type = {Article}, address = {1550 M ST., NW, WASHINGTON, DC 20005 USA}, abstract = {
R\&D spending by the top 320 companies in 2004 was US\$ 331 billion. The R\&D intensity of these globalfirms has decreased marginally, as there was a decrease in R\&D spending by pharmaceutical firms. R\&D spending as a percentage of sales is the highest in the biotechnology industry followed by pharmaceuticals and network communications. At the same time, more firms are seeking to acquire intellectual assets from external sources. Managing intellectual assets will require competence to integrate external and internal knowledge assets so that innovation efficiency can go up while idea-to-market time goes down and product pipelines get richer.
}, keywords = {distributed innovation, globalization, R\&D spending}, issn = {0895-6308}, author = {Bowonder, B. and Racherla, J. K. and Mastakar, N. V. and Krishnan, S.} } @article {42472, title = {Reaction of diaryl-1,2-diones with triphenylphosphine and diethyl azodicarboxylate leading to N, N-dicarboethoxy monohydrazones via a novel rearrangement}, journal = {Organic Letters}, volume = {7}, year = {2005}, month = {MAY}, pages = {2121{\textendash}2123}, abstract = {
A mechanistically novel reaction of diaryl-1,2-diones with diethyl azodicarboxylate and triphenylphosphine to afford N,N-dicarboethoxy monohydrazones is described. The reaction proceeds via a nitrogen to nitrogen migration of a carboethoxy group.
}, doi = {10.1021/ol050403+}, author = {Nair, Vijay and Biju, Akkattu T. and Abhilash, K. G. and Menon, Rajeev S. and Eringathodi, Suresh} } @article {42473, title = {Reaction of huisgen zwitterion with 1,2-benzoquinones and isatins: expeditious synthesis of dihydro-1,2,3-benzoxadiazoles and spirooxadiazolines}, journal = {Organic Letters}, volume = {7}, year = {2005}, month = {OCT}, pages = {5139{\textendash}5142}, type = {Article}, abstract = {
The zwitterionic intermediate generated from dialkyl azodicarboxylate and triphenylphosphine on reaction with 3-methoxy-1,2-benzoquinones afforded dihydro-1,2,3-benzoxadiazoles. N-Substituted isatins furnished spirooxadiazolines under similar conditions.
}, doi = {10.1021/ol051956n}, author = {Nair, Vijay and Biju, Akkattu T. and Vinod, A. V. and Eringathodi, Suresh} } @conference { ISI:000238054400287, title = {Reactivity descriptors: conceptual and computational developments}, booktitle = {International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005)}, series = {LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES}, volume = {4A-4B}, year = {2005}, note = {International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005), Corinth, GREECE, OCT 21-26, 2005}, month = {OCT}, pages = {1172-1174}, publisher = {Vsp BV-C/o Brill Acad Publ, Po Box 9000, 2300 Pa Leiden, Netherlands}, organization = {Vsp BV-C/o Brill Acad Publ, Po Box 9000, 2300 Pa Leiden, Netherlands}, address = {Corinth, Greece}, isbn = {90-6764-443-9}, issn = {1573-4196}, author = {Pal, Sourav}, editor = {Simos, T. and Maroulis, G.} } @article { ISI:000226290900011, title = {Rearrangement of allyl phenyl ether over Al-MCM-41}, journal = {Journal of Catalysis}, volume = {229}, number = {1}, year = {2005}, month = {JAN}, pages = {105-113}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Claisen rearrangement of allyl phenyl ether to o-allylphenol and a dihydrobenzofuran derivative was investigated over MCM-41 with different Si/Al ratios. Higher aluminum content, higher reaction temperatures, and longer run duration favor the formation of the ring compound 2,3-dihydro-2-methyl benzofuran. There is a close relationship between acidity and conversion, which suggests that the reaction occurs inside the large pores of MCM-41. The influence of temperature and catalyst Si/Al ratio on the reaction are examined by kinetic analysis, under the assumption of a first-order consecutive reaction. (C) 2004 Elsevier Inc. All rights reserved.
}, keywords = {Al-MCM-41, allyl phenyl ether, Claisen rearrangement, Mesoporous material, molecular rearrangement, Solid acids}, issn = {0021-9517}, doi = {10.1016/j.jcat.2004.09.027}, author = {Mathew, Nevin T. and Khaire, S. and Mayadevi, S. and Jha, Ratnesh Kumar and Sivasanker, S.} } @article { ISI:000229751800049, title = {Reassessment of the binary, ternary, and quaternary interactions in mixed electrolytes from thermodynamic quantities: the systems with uncommon ions containing hydrophobic character}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {23}, year = {2005}, month = {JUN}, pages = {11743-11752}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Accurate estimates of the binary, ternary, and quaternary interactions in aqueous ionic mixtures with uncommon ions with hydrophobic character are presented. For this purpose, the values of the excess Gibbs free energy of mixing, Delta(m)G(E), obtained from our earlier isopiestic osmotic coefficients (Kumar, A. J. Phys. Chem. B 2003. 107, 2808) for the mixtures of NaCl with four guanidinium (Gn(+)) salts-CH(3)COOGn, GnNO(3), GnClO(4), and Gn(2)SO(4) are analyzed with the help of the method developed by Leifer and Wigent. The methodology of Leifer and Wigent is based on the equations of Scatchard-Rush-Johnson and Friedman{\textquoteright}s cluster integral expansion theory. The Scatchard-Rush-Johnson theory explicitly considers the quaternary and higher-order ionic interactions in the mixtures as compared to the specific ion interaction theory of Pitzer, which accounts for binary and ternary interactions only. The contributions due to binary, ternary, and quaternary interaction terms to total Delta(m)G(E) are estimated and discussed critically. Also, the interaction between the same two cations, for example, Gn(+)-Gn(+), is estimated and found significant, which otherwise cannot be obtained by the use of Pitzer{\textquoteright}s theory. The information obtained from the analysis of Delta(m)G(E) is also supported by the newly measured excess volumes of mixing, Delta(m)V(E), at 298.15 K. The individual contributions of the binary, ternary, and quaternary interaction terms to total Delta(m)V(E) are described. The binary, ternary, and quaternary interaction terms for both Delta(m)G(E) and Delta(m)V(E) are analyzed in terms of Friedman{\textquoteright}s cluster integral expansion theory.
}, issn = {1520-6106}, doi = {10.1021/jp050012c}, author = {Kumar, Anil} } @article { ISI:000229119800001, title = {Recent advances in biodegradable nanocomposites}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {5}, number = {4}, year = {2005}, month = {APR}, pages = {497-526}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
There is growing interest in developing bio-based products and innovative process technologies that can reduce the dependence on fossil fuel and move to a sustainable materials basis. Biodegradable bio-based nanocomposites are the next generation of materials for the future. Renewable resource-based biodegradable polymers including cellulosic plastic (plastic made from wood), corn-derived plastics, and polyhydroxyalkanoates (plastics made from bacterial sources) are some of the potential biopolymers which, in combination with nanoclay reinforcement, can produce nanocomposites for a variety of applications. Nanocomposites of this category are expected to possess improved strength and stiffness with little sacrifice of toughness, reduced gas/water vapor permeability, a lower coefficient of thermal expansion, and an increased heat deflection temperature, opening an opportunity for the use of new, high performance, lightweight green nanocomposite materials to replace conventional petroleum-based composites. The present review addresses this green material, including its technical difficulties and their solutions.
}, keywords = {cellulose, layered silicates and properties, Nanocomposite, poly(caprolactone)s, poly(hydroxy alkanoate)s, polyiactic acid, Starch}, issn = {1533-4880}, doi = {10.1166/jnn.2005.111}, author = {Pandey, J. K. and Kumar, A. P. and Misra, M. and Mohanty, A. K. and Drzal, L. T. and Singh, R. P.} } @conference { ISI:000229432300024, title = {Recent applications of chloroaluminate ionic liquids in promoting organic reactions}, booktitle = {Symposium on Ionic Liquids - Fundamentals, Progress, Challenges and Opportunities held at the 226th American-Chemical-Society National Meeting}, series = {ACS Symposium Series}, volume = {902}, year = {2005}, note = {Symposium on Ionic Liquids - Fundamentals, Progress, Challenges and Opportunities held at the 226th American-Chemical-Society National Meeting, New York, NY, SEP 07-11, 2003}, month = {SEP}, pages = {350-370}, publisher = {Amer Chemical Soc, 1155 Sixteenth ST NW, Washington, DC 20036 USA}, organization = {Amer Chemical Soc, 1155 Sixteenth ST NW, Washington, DC 20036 USA}, address = {New York, USA}, abstract = {
Chloroaluminate ionic liquids composed of AICl(3) and organic cations can promote a variety of organic reactions. The composition of these chloroaluminate ionic liquids governs the acidity and basicity of solvent media, in which the reactions are carried out. Useful physico-chemical properties of these ionic liquids and the recent work on their role in accelerating organic reactions are described in the present article.
}, isbn = {0-8412-3893-6}, issn = {0097-6156}, author = {Kumar, Anil and Sarma, Diganta}, editor = {Rogers, R. D. and Seddon, K. R.} } @article { ISI:000231744300010, title = {Regression models using pattern search assisted least square support vector machines}, journal = {Chemical Engineering Research and Design}, volume = {83}, number = {A8}, year = {2005}, month = {AUG}, pages = {1030-1037}, publisher = {INST CHEMICAL ENGINEERS}, type = {Article}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {
Least Square Support Vector Machines (LS-SVM), a new machine-learning tool has been employed for developing data driven models of non-linear processes. The method is firmly rooted in the statistical learning theory and transforms the input data to a higher dimensional feature space where the use of appropriate kernel functions avoid computational difficulty. Further, a pattern search algorithm, which explores multiple directions and utilizes coordinate search with fixed step size, is employed for selecting optimal LS-SVM model that produces a minimum possible prediction error. To show the efficacy and efficiency of the fully automated pattern search assisted LS-SVM methodology, we have tested it on several benchmark examples. The study suggests that proposed paradigm can be a useful and viable tool in building data driven models of non-linear processes.
}, keywords = {equality constraints, LS-SVM, model selection, Optimization, pattern search}, issn = {0263-8762}, doi = {10.1205/cherd.03144}, author = {Patil, N. S. and Shelokar, P. S. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000228867800003, title = {Response of trichogramma chilonis to infochemicals: an SEM and electrophysiological investigation}, journal = {Biocontrol}, volume = {50}, number = {3}, year = {2005}, month = {JUN}, pages = {429-447}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The external morphology and peripheral olfactory responses of antennal chemoreceptors of Trichogramma chilonis Ishii (Hymenoptera:Trichogrammatidae) to host related stimuli were examined by SEM and EAG technique respectively. The antennae of male and female T. chilonis reveal strong sexual dimorphism in structure as well as in types, density and distribution of individual sensillar types. The female antennae are characterized by the presence of a single uniporous sensilla on the apical tip of the dome and numerous multiporous pitted sensilla. Sensilla common to both males and females include the multiporous plate sensilla, the peg sensilla and trichoid sensilla. Differences between males and females occur with respect to their EAG profiles to 22 chemicals commonly found in plants viz., hexanal, β-pinene, citronellal, terpinene, citronellol, phytol, caryophyllene, R-(+)-limonene, linalool, carvacrol, cis-3-hexen-1-ol, ethanol, α-pinene, trans-2-hexanal, α-phellandrene, amyl acetate, cineole, quinolene, S-(-)limonene, β-myrcene, carvone, terpineol; hexane leaf extracts of three host plants of Helicoverpa armigera (cotton, chickpea and pigeon pea) and hexane scale extracts of adult males and females of H. armigera. Individually, the largest peak amplitudes in females were obtained with citronellal, phytol, caryophyllene, R-(+)-limonene, linalool, carvacrol and citronellol while in males citronellol, caryophyllene, linalool, R-(+)-limonene and amyl acetate caused the highest response. Among the different chemical classes, the largest peak amplitudes in females were obtained with oxygenated monoterpenes, while in males, fatty acid derivatives caused the highest response. In both males and females, the hydrocarbon monoterpenes caused the least response. Thus, the wide spectrum response of Trichogramma chilonis, to a wide group of chemicals belonging to different chemical classes, though varying, nevertheless suggests that using plant information enhances its parasitization efficiency.
}, keywords = {antennae, Chickpea, cotton, EAG, parasitoid, pigeon pea, scanning electron microscopy, Trichogramma chilonis, Volatiles}, issn = {1386-6141}, doi = {10.1007/s10526-004-1295-1}, author = {Sen, A and Raina, R and Joseph, Mary P. and Tungikar, VB} } @article {42687, title = {Reversible transformations of gold nanoparticle morphology}, journal = {Langmuir}, volume = {21}, year = {2005}, month = {SEP}, pages = {10280{\textendash}10283}, type = {Article}, abstract = {
Herein is reported a metamorphosis taking place in a gold nanosized system. The observed phenomenon of shape and size transformations was found to be completely reversible. Unlike most procedures in the literature where shape and size control occur in the synthetic step by adding growth- and shape-controlling agents such as surfactants or polymers, in this system postsynthetic changes in shape and size can be carried out simply by changing the ratio of reactive, competing reagents, more specifically, alkylthiols versus tetralkylammonium salts. Interestingly, the transfer of gold metal occurs (large prismatic particles to small particles and vice versa) under the influence of reagents that do not cause such interactions with bulk gold. All intermediate steps of the morphology change were observed using HRTEM and electron diffraction. The processes of breaking down and {\textquotedblleft}welding back{\textquotedblright} solid metal nanoparticles occur under mild conditions and are remarkable examples of the unique chemical properties of nanomaterials. The described process is expected to be relevant to other nanoscale systems where similar structural circumstances could occur.
}, doi = {10.1021/la051699v}, author = {Stoeva, Savka I. and Zaikovski, Vladimir and Bhagavatula L. V. Prasad and Stoimenov, Peter K. and Sorensen, Christopher M. and Klabunde, Kenneth J.} } @article {42553, title = {Review on bubble formation, rise and break-up in a gas-liquid system}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, year = {2005}, month = {MAY}, pages = {5873{\textendash}5931}, type = {Review}, abstract = {
The formation of gas bubbles and their subsequent rise due to buoyancy are very important fundamental phenomena that contribute significantly to the hydrodynamics in gas-liquid reactors. The rise of a bubble in dispersion can be associated with possible coalescence and dispersion followed by its disengagement from the system. The phenomenon of bubble formation decides the primitive bubble size in the system (which latter attains an equilibrium size), whereas the rise velocity decides the characteristic contact time between the phases which governs the interfacial transport phenomena as well as mixing. In view of their importance, we herein present a comprehensive review of bubble formation and bubble rise velocity in gas-liquid systems. The emphasis of this review is to illustrate the present status of the subjects under consideration and to highlight the possible future directions for further understanding of the subject. The bubble formation at a single submerged orifice and on multipoint sieve trays in Newtonian as well as non-Newtonian stagnant and flowing liquids is discussed in detail, which includes its mechanism as well as the effect of several system and operating parameters on the bubble size. The comparison of results has shown that the formulation of Gaddis and Vogelpohl22 is the most suitable for the estimation of bubble size in stagnant liquids. The special cases, such as bubble formation in reduced gravity conditions and weeping and in flowing liquids, are discussed in detail. The section on the rise of a gas bubble in liquid covers the various parameters governing bubble rise and their effect on the rise velocity. A comprehensive comparison of the various formulations is made by validating the predictions with experimental data for Newtonian as well as non-Newtonian liquids, published over last several decades. The results highlight that for the estimation of rise velocity in (i) pure Newtonian liquids, (ii) contaminated Newtonian liquids, and (iii) non-Newtonian liquids, the formulation based on the wave theory by Mendelson,190 Nguyen{\textquoteright}s formulation,155 and the formulation by Rodrigues,153 (last two, based on the dimensional analysis), respectively are the most suitable. The motion of bubbles in non-Newtonian liquids and the reason behind the discontinuity in the velocity are also discussed in detail. The bubble rise is also analyzed in terms of the drag coefficient for different system parameters and bubble sizes.
}, doi = {10.1021/ie049131p}, author = {Kulkarni, Amol A. and Joshi, Jyeshtharaj B.} } @article { ISI:000228575900026, title = {Ring-closing metathesis mediated total synthesis of microcarpalide and herbarumin III}, journal = {Arkivoc}, number = {3}, year = {2005}, month = {FEB}, pages = {237-257}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
Total synthesis of naturally occurring microcarpalide and herbarumin III are described. The ring-closing metathesis (RCM) approach to coin the medium sized rings present in their molecular structures form the basic premise of this investigation.
}, keywords = {herbarumin III, microcarpalide, microfilament, phosphodiesterase, ring-closing metathesis (RCM)}, author = {Gurjar, M. K. and Nagaprasad, R. and Ramana, C. V. and Karmakar, S. and Mohapatra, Debendra K.} } @article { ISI:000233062500003, title = {Role of a co-metal in bimetallic Ni-Pt catalyst for hydrogenation of m-dinitrobenzene to m-phenylenediamine}, journal = {Applied Catalysis A-General}, volume = {295}, number = {1}, year = {2005}, month = {OCT}, pages = {23-30}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Bimetallic Ni-Pt catalysts supported on carbon were found to give very high turn over frequency numbers and almost complete selectivity to m-phenylenediamine in m-dinitrobenzene hydrogenation as compared to the monometallic nickel catalysts. The XRD and XPS characterization revealed that most of the nickel remains as Ni2+ in a monometallic catalyst while, the addition of platinum leads to the stabilization of Ni-0 state, in case of bimetallic catalysts. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Bimetallic catalyst, Catalytic hydrogenation, m-dinitrobenzene, m-phenylenediamine, Selective hydrogenation, turn over number, XPS and XRD of nickel}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.07.050}, author = {Telkar, M. M. and Nadgeri, J. M. and Rode, C. V. and Chaudhari, R.} } @article { ISI:000231067500001, title = {Role of Mg ions in modulating the morphology and structure of CaCO3 crystals grown in aqueous foams}, journal = {CrystEngComm}, volume = {7}, year = {2005}, month = {JUL}, pages = {469-475}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We investigate the role of magnesium ions in modulating the morphology and crystallography of CaCO3 crystals grown in aqueous foam. This is accomplished by first making foams from an aqueous mixture of CaCl2+MgCl2 and the anionic surfactant aerosol-OT (AOT) followed by reaction of the foam with Na2CO3 solution. The Ca2+ and Mg2+ ions electrostatically complex with AOT and react with Na2CO3 within the foam to yield CaCO3 crystals of interesting morphology. These studies indicate that CaCO3 in a fractured, needle-like morphology was formed at high Mg2+ concentrations in the foam whereas porous, rhombic CaCO3 crystals were obtained at low Mg2+ concentrations. The effect of water drainage time and thereby, the structure of the foam on the morphology of the CaCO3 crystals grown was also studied.
}, issn = {1466-8033}, doi = {10.1039/b501420b}, author = {Rautaray, Debabrata and Kasture, Manasi and Sastry, M.} } @article { ISI:000229298200025, title = {Role of non-linear processes in conducting polymer blends for piezo-sensors Part 2: studies on polyaniline/SBS blends}, journal = {Sensors and Actuators A-Physical}, volume = {120}, number = {2}, year = {2005}, month = {MAY}, pages = {474-481}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The electrical properties and piezo-response of conducting polymer blends have been investigated with respect to composition for styrene-butadiene-styrene (SBS) elastomer containing two grades of polyaniline (PANI). The blends were synthesized using solution/dispersion technique in which the conducting PANI was prepared with either HCl or dodecyl benzene sulfonic acid (DBSA) as dopant. Thick sheets cast from these exhibited high piezo-sensitive electrical resistance even at small mechanical load. The pressure dependence of resistance followed a non-linear power law of the type R = KP-m where K and m values changed considerably with composition. The current voltage characteristics in these blends were found to be highly non-linear and the conduction mechanism was either space charge limited or tunneling type depending on the concentration and nature of conducting additive. These various results have been explained on the basis of the phenomenological model developed incorporating the non-linear processes for electrical and mechanical properties. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {conducting polymer, non-linear process, piezo-sensors}, issn = {0924-4247}, doi = {10.1016/j.sna.2005.01.037}, author = {Radhakrishnan, S and Kar, Swarnendu B.} } @article { ISI:000227930800010, title = {Room temperature ionic liquid promoted improved and rapid synthesis of 2,4,5-triaryl imidazoles from aryl aldehydes and 1,2-diketones or alpha-hydroxyketone}, journal = {Tetrahedron}, volume = {61}, number = {14}, year = {2005}, month = {APR}, pages = {3539-3546}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An improved and rapid one-pot synthesis of 2,4,5-triaryl imidazoles in a room temperature ionic liquid is described, which does not need any added catalyst. Different ionic liquids based on 1-n-butyl and 1,3-di-n-butyl imidazolium salts were screened and their efficacy in terms of acidity and polarity have been correlated with yields and reaction period. The one-pot methodology resulting in excellent isolated yields in short reaction times is characterized by simple work up procedures and efficient recovery and recycling of the ionic liquid, which acts as a promoter. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {1, 2, 2-Diketones, 4, 5-triaryl imidazoles, alpha-hydroxyketone, ammonium acetate, benzaldehydes, ionic liquid (IL)}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.116}, author = {Siddiqui, S. A. and Narkhede, U. C. and Palimkar, S. S. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000229567400027, title = {Room temperature nitric oxide sensor actualized from Ru-doped SnO2 nanowires}, journal = {Sensors and Actuators B - Chemical}, volume = {107}, number = {2}, year = {2005}, month = {JUN}, pages = {708-715}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
We report synthesis of the novel Ru-doped SnO2 nanowires and their distinctive response towards NO., and liquefied petroleum gas (LPG) in air. These nanowires have been prepared by a simple approach of evaporation of metal oxide at elevated temperature, The sensor exhibits three order of magnitude changes in the conductivity on exposure to NO2 in air at room temperature, Furthermore. Ru being one of the excellent sensitizers towards LPG these wires also exhibits sensitivity at 250\&DEG; C. The amount of Ru plays a crucial role in modulating the sensitivity and lowering the operating temperature. {\textcopyright} 2005 Elsevier B.V. All rights reserved.
}, keywords = {LPG, Nanowires, NO2, tin oxide ruthenium oxide}, issn = {0925-4005}, doi = {10.1016/j.snb.2004.12.073}, author = {Ramgir, N. S. and Mulla, Imtiaz S. and Vijayamohanan, K. P.} } @article { ISI:000226532000006, title = {Selective synthesis of N,N-dimethyl aniline derivatives using dimethyl carbonate as a methylating agent and onium salt as a catalyst}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {226}, number = {1}, year = {2005}, month = {FEB}, pages = {49-56}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
N-Alkylation of anilines by dimethyl carbonate (DMC) catalyzed by onium salts has been demonstrated. The work presented here shows that a simple catalytic system consisting of onium salts in the presence of a small amount of water is extremely effective in enhancing the DMC mediated N-alkylation of anilines to dialkylated products. The effect of reaction conditions on the synthesis of N,N-dimethyl aniline (NNDMA) from aniline and DMC has been investigated. Under the optimized conditions highest yield of NNDMA obtained was 99.8\%, which is the best reported for liquid phase N-alkylation of aniline using DMC. The role of water in enhancing the yield of NNDMA is explained and a reaction-networking scheme is constructed, which summarizes the chemistry behind liquid phase N-alkylation of anilines by DMC. The catalyst has been shown to recycle up to five times and at the end of fifth recycle almost 98\% of NNDMA yields were obtained. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Aniline, Dimethyl carbonate, methylation, N, N-alkylation, N-dimethyl aniline, onium salts}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.09.025}, author = {Shivarkar, A. B. and Gupte, S. P. and Chaudhari, Raghunath V.} } @article { ISI:000228436200035, title = {Self-assembly of nanostructured PbS for solar photovoltaic applications}, journal = {Materials Chemistry and Physics}, volume = {91}, number = {2-3}, year = {2005}, month = {JUN}, pages = {447-453}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
In the present communication, the self-assembly of nanocrystalline PbS at the liquid-liquid interface is reported. The PbS nanocrystals were, subsequently, transformed in the form of thin films by dip coating. The resultant Q-PbS films were characterized by SEM-EDAX, TEM-SAED, XRD, XPS and UV-vis Spectroscopy. Pyramidal features at the nanometer scale, preferred orientation along (2 2 0) and (4 0 0) planes of cubic structure and a sharp excitonic peak at 656 run are the salient aspects of this work. The band-gap of the order of 1.8 eV (associated with the excitonic feature) is ideally suited for solar photovoltaic applications. (c) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Liquid-liquid interface, nanopyramid, Nanostructures, PbS}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2004.12.007}, author = {Hawaldar, Ranjit R. and Kanade, K. G. and Patil, K. R. and Sathaye, S. D. and Mulik, Uttam P. and Amalnerkar, Dinesh P.} } @article { ISI:000230909100041, title = {Self-assembly with degenerate prototropy}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {16}, year = {2005}, month = {AUG}, pages = {6461-6467}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
This work describes a rational approach for addressing the prototropy-related problems in heterocycle-based self-assembling systems by the use of degenerate prototropy. As a proof of principle, the utility of degenerate prototropy is demonstrated herein by developing heterocycle-based AADD-type self-assembling modules that exist as {\textquoteleft}{\textquoteleft}single set of protameric pair (duplex){\textquoteright}{\textquoteright} in both solution and solid states. These self-assembling modules are quickly accessible in good yield by reacting 2-amino-5,5-disubstituted-1H-pyrimidine-4,6-diones, available in one step by the condensation of (x,a-dialkyl malonates and free guanidine, with isocyanates. Evidence from NMR spectroscopy, ESI mass spectrometry, and single-crystal X-ray diffraction studies confirmed the formation of molecular duplexes. The effect of electronic repulsion in duplex formation is also investigated. Their ready synthetic accessibility, remarkably high propensity to crystal formation, and the novel property of degenerate prototropy would make these novel self-assembling molecules promising candidates for many proposed applications.
}, issn = {0022-3263}, doi = {10.1021/jo0508705}, author = {Baruah, Pranjal K. and Gonnade, Rajesh G. and Phalgune, U. D. and Sanjayan, G. J.} } @article { ISI:000232909100017, title = {Separability of local reactivity descriptors}, journal = {Journal of Chemical Sciences}, volume = {117}, number = {5}, year = {2005}, month = {SEP}, pages = {497-505}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
The size-dependence of different local reactivity descriptors of dimer A(2) and AB type of systems is discussed. We derive analytic results of these descriptors calculated using finite difference approximation. In particular, we studied Fukui functions, relative electrophilicity and relative nucleophilicity, local softness and local philicity. The results are explained using the example of the dimer of BH3NH3.
}, keywords = {condensed Fukai functions, Local reactivity descriptors, molecular interactions, separability}, issn = {0974-3626}, doi = {10.1007/BF02708355}, author = {Tanwar, A and Pal, S} } @article { ISI:000228940600001, title = {Short S=O center dot center dot center dot C=O contacts associate diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoformate in their inclusion complexes}, journal = {Crystal Growth \& Design}, volume = {5}, number = {3}, year = {2005}, month = {MAY}, pages = {833-836}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoformate are linked via short S=O\&BULL;\&BULL;\&BULL; C=O contacts ranging from 2.890 to 3.140 \&ANGS; (sum of the van der Waals radii of O and C atoms 3.22 \&ANGS;) in all the inclusion complexes formed with organic guest solvents having a C2 symmetry. Although a search for S= O\&BULL;\&BULL;\&BULL; C=O interactions in the CSD showed a sizable number of structures, this communication recognizes its significance for the first time in the formation of molecular assemblies. In all the crystals in the present study except the solvent-free form, the S=O bond points almost perpendicularly to the Csp2 atom of the C=O group. This was also the most frequently observed geometrical approach in CSD analysis. The solvent-free form shows dimer formation via C-H\&BULL;\&BULL;\&BULL; O interaction, which has longer S=O\&BULL;\&BULL;\&BULL; C=O contacts.
}, issn = {1528-7483}, doi = {10.1021/cg049621k}, author = {Manoj, Kochunnoonny and Sureshan, K. M. and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000228633100020, title = {Silicotungstate-modified zirconia as an efficient catalyst for phenol tert-butylation}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {233}, number = {1-2}, year = {2005}, month = {MAY}, pages = {141-146}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The alkylation of phenol with tert-butanol was investigated using zirconia modified with silicotungstic acid (STA) as catalysts. The catalysts with different STA loading (5-25 wt.\% calcined at 750 degrees C) and calcination temperature (15 wt.\% calcined from 350 to 850 degrees C) were prepared and characterized by X-ray diffraction and NH3-TPD measurements. The XRD results indicate that STA stabilizes the tetragonal phase of zirconia. The catalyst with 15\% STA on ZrO2 calcined at 750 degrees C shows the highest acidity and hence highest activity. Under the reaction conditions of 140 degrees C, tert-butanol/phenol molar ratio of 2 and LHSV of 4 h(-1), phenol conversion was 95.4\% with selectivity to 2-tert-butyl phenol 4.3\%, 4-tert-butyl phenol 59.2\% and 2,4-di-tert-butyl phenol 35.8\%. The reaction was studied as a function of time for 50 It without appreciable change in phenol conversion and product selectivity. The deactivated catalyst could be regenerated by calcination with out appreciable lose in catalytic activity and product selectivity. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {phenol, Silicotungstic acid, tert-butylation, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.02.021}, author = {Devassy, Biju M. and Shanbhag, G. V. and Mirajkar, Subhash P. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000231605600022, title = {Silver nanoparticles of variable morphology synthesized in aqueous foams as novel templates}, journal = {Bulletin of Materials Science}, volume = {28}, number = {5}, year = {2005}, month = {AUG}, pages = {503-510}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
In this paper, we describe the synthesis of silver nanocrystals within aqueous foams as a template More specifically, we show that aqueous Ag+ ions may be electrostatically complexed with the anionic surfactants aerosol OT (sodium bis-2-ethylhexyl-sulfosuccinate, (AOT) and sodium dodecyl sulphate (SDS)) in a highly stable liquid foam. After drainage of the foam, the silver ions are reduced in situ by introducing sodium borohydride into the foam by capillary flow. This leads to the formation of silver nanoparticles of spherical, tape- and sheet-like morphology in the foam. The structure of the foam is extremely complex and presents reaction sites of different spatial extent. The differences in foam reaction-site geometry are believed to be responsible for the morphology variation in the silver nanoparticles observed. The silver nanoparticles are observed to be extremely stable in solution suggesting that the AOT or SDS molecules stabilize them. This approach appears promising for application in large-scale synthesis of nanoparticles and may be readily extended to other chemical compositions.
}, keywords = {Chemical synthesis, composites, foam, Intercalation, Nanoparticles}, issn = {0250-4707}, doi = {10.1007/BF02711244}, author = {Mandal, Sujata and Arumugam, S. K. and Pasricha, R. and Sastry, M.} } @article { ISI:000231719800006, title = {Simple and practical approach to enantiomerically pure (S)-3-hydroxy-gamma-butyrolactone: synthesis of (R)-4-cyano-3-hydroxybutyric acid ethyl ester}, journal = {Tetrahedron-Symmetry}, volume = {16}, number = {16}, year = {2005}, month = {AUG}, pages = {2717-2721}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The oxidation of alpha- or beta-(1,4) linked disaccharides or oligosaccharides with cumene hydroperoxide in the presence of a base gave (S)-3,4-dihydroxybutyic acid, which was cyclized under acidic conditions to furnish (S)-3-hydroxy-gamma-butyrolactone. This was subsequently converted into (R)-cyano-3-hydroxybutyric acid ethyl ester, an intermediate for statin based drugs and other related compounds. (c) 2005 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2005.07.012}, author = {Kumar, P. and Deshmukh, A. N. and Upadhyay, R. K. and Gurjar, M. K.} } @article { ISI:000228267300014, title = {Simple, concise, stereocontrolled synthesis of (8E,10Z)-pentadecadien-1-ol acetate}, journal = {Synthetic Communications}, volume = {35}, number = {7}, year = {2005}, month = {AUG}, pages = {987-994}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A simple, concise, and stereocontrolled synthesis of (8E, 10Z)-pentadecadien-l -ol acetate involving a Cadiot-Chodkiewicz reaction as the key step is described.
}, keywords = {acetate, Acrobasis vaccini, Cadiot-Chodkiewicz reaction, diacetylene, Pheromone}, issn = {0039-7911}, doi = {10.1081/SCC-200051715}, author = {Chavan, Subhash P. and Kharul, Rajendra K. and Kamat, Subhash K. and Kalkote, Uttam R. and Kale, R. R.} } @article { ISI:000227321500008, title = {Simple oxalate precursor route for the preparation of barium-strontium titanate: Ba1-xSrxTiO3 powders}, journal = {Materials Characterization}, volume = {54}, number = {1}, year = {2005}, month = {JAN}, pages = {63-74}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
A simple one-step cation-exchange reaction between the stoichiometric solutions of ammonium titanyl oxalate (ATO) and barium hydroxide+strontium nitrate at room temperature (RT) is investigated successfully for the quantitative precipitation of barium-strontium titanyl oxalate (BSTO): Ba1-xSrxTiO(C2O4)(2).4H(2)O (x=0.25) precursor powders with nearly theoretical yield (greater than or equal to99\%). The pyrolysis of BSTO at 730degreesC/4 h in air produced barium-strontium titanate (Ba1-xSrxTiO3; BST) powders. The characterization studies on BSTO and BST powders by using various physico-chemical techniques: micro- and chemical analysis, differential thermal analysis (DTA)/thermo-gavimetric analysis (TGA), XRD, FTIR, X-ray fluorescence (XRF) and scanning electron microscopy (SEM) revealed that the powders formed are cubic, highly pure, stoichiometric and sub-micron-sized with nearly uniform size and shape distribution. The ceramic compacts obtained by sintering the BST pellets at 1300degreesC/4 It showed density similar to95\%, dielectric constant epsilon(Tc)similar to9500, tan delta-0.15\% and T(C)similar to32 degreesC. (C) 2004 Elsevier Inc. All rights reserved.
}, keywords = {barium-strontium titanate, barium-strontium titanyl oxalate, permittivity, XRF}, issn = {1044-5803}, doi = {10.1016/j.matchar.2004.11.002}, author = {Khollam, Y. B. and Deshpande, S. B. and Potdar, H. S. and Bhoraskar, S. V. and Sainkar, S. R. and Date, Sadgopal K.} } @article {43219, title = {Simple procedure for the synthesis of gamma-hydroxy-alpha,beta-(E)-alkenoic esters: formal synthesis of (+)-macrosphelides A and B}, journal = {Tetrahedron Letters}, volume = {46}, year = {2005}, month = {MAR}, pages = {2287-2290}, abstract = {A highly trans-selective conjugate reduction of 7-hydroxy-alpha,beta-alkynoic esters to produce gamma-hydroxy-alpha,beta-(E)-alkenoic esters using LiAlH4 is reported. The application of this methodology is demonstrated by a formal synthesis of the potent cell-cell adhesion inhibitors (+)-macrosphelides A and B. (c) 2005 Elsevier Ltd. All rights reserved.}, author = {Rao, K. Srinivasa and Mukkanti, K. and Reddy, D. Srinivasa and Pal, Manojit and Lqbal, Javed} } @article { ISI:000229376400004, title = {Simple synthesis of (+/-)-sarkomycin}, journal = {Synthesis-Stuttgart}, number = {8}, year = {2005}, month = {MAY}, pages = {1234-1236}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A facile 6-step route to (+/-)-sarkomycin in 17\% overall yield has been described via Michael addition of nitromethane to 2-hydroxymethyl-2-cyclopentenone, oxone-induced oxidative Nef reaction, and acid catalyzed dehydration.
}, keywords = {(+/-)-sarkomycin synthesis, 2-hydroxymethyl-2-cyclopentenone, Michael addition, nitromethane., oxidative Nef reaction, Oxone}, issn = {0039-7881}, doi = {10.1055/s-2005-861877}, author = {Kar, Anirban and N. P. Argade} } @article { ISI:000229376400013, title = {Simplistic expedient and practical synthesis of (+/-)-alpha-lipoic acid}, journal = {Synthesis-Stuttgart}, number = {8}, year = {2005}, month = {MAY}, pages = {1297-1300}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Synthesis of a-lipoic acid has been achieved by a simple sequence of reactions. The synthesis highlights the use of alpha-chloroesters in a Reformatsky reaction. The intermediate keto acid is an intermediate from which both isomers of lipoic acid can be prepared.
}, keywords = {alpha-chloroesters, alpha-lipoic acid, Ozonolysis, Reformatsky reaction}, issn = {0039-7881}, doi = {10.1055/s-2005-861867}, author = {Chavan, Subhash P. and Shivsankar, K. and Pasupathy, K.} } @article { ISI:000230521800024, title = {Simultaneous conversion of methane and methanol into gasoline over bifunctional Ga-, Zn-, In-, and/or Mo-modified ZSM-5 zeolites}, journal = {Angewandte Chemie-International Edition}, volume = {44}, number = {28}, year = {2005}, month = {JUN}, pages = {4381-4385}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, keywords = {gallium, heterogeneuos catalysis, methane activation, Molybdenum, zeolites}, issn = {1433-7851}, doi = {10.1002/anie.200500694}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Mulla, Shafeek Abdul Rashid} } @article { ISI:000231534100002, title = {On the single-root approach within the framework of coupled-cluster theory in fock space}, journal = {Chemical Physics}, volume = {315}, number = {3}, year = {2005}, month = {AUG}, pages = {240-250}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A thorough formulation of Fock Space Brillouin-Wigner Coupled Cluster method is presented following previous developments [N.D.K. Petraco, L Horny, H.F. Schaefer, I. Hubac, J. Chem. Phys. 117 (2002) 9580]. The new method is designed to avoid the intruder states problem, and introduces the single-root solution feature which has not been considered yet within valence-universal methods. The explicit equations for the (0,1) sector of the Fock space are introduced. (C) 2005 Elsevier B.V. All rights reserved.
}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2005.03.020}, author = {Horny, L and Schaefer, HF and Hubac, I and Pal, S} } @article { ISI:000232736400034, title = {Sodium methylsulfinylmethylide: a versatile reagent}, journal = {Synlett}, number = {17}, year = {2005}, month = {OCT}, pages = {2697-2698}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, issn = {0936-5214}, doi = {10.1055/s-2005-917075}, author = {Mondal, Mukulesh} } @article { ISI:000226614200005, title = {Solvent-adaptable silver nanoparticles}, journal = {Langmuir}, volume = {21}, number = {3}, year = {2005}, month = {FEB}, pages = {822-826}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A simple and efficient way of obtaining silver nanoparticles that are dispersible both in organic and in aqueous solvents using a single capping agent is described. The silver nanoparticles are initially prepared in water in the presence of aerosol OT [sodium bis(2-ethylhexyl)-sulfosuccinate, AOT]. Thereafter, transfer of the AOT-capped silver nanoparticles to an organic phase is induced by the addition of a small amount of orthophosphoric acid during shaking of the biphasic mixture. The AOT-stabilized silver nanoparticles could be separated out from the organic phase in the form of a powder. The hydrophobic nanoparticles thus prepared are stable and are readily resuspended in a variety of other polar (including water) and nonpolar solvents without further surface treatment. The amphiphatic nature of the silver surface is brought about by a small orientational change in the AOT monolayer on the silver surface in response to the polarity of the solvent.
}, issn = {0743-7463}, doi = {10.1021/la047707+}, author = {Bhagavatula L. V. Prasad and Arumugam, S. K. and Bala, Tanushree and Sastry, M.} } @article { ISI:000227895500014, title = {(SR/RS)-cyclohexanyl PNAs: conformationally preorganized PNA analogues with unprecedented preference for duplex formation with RNA}, journal = {Journal of the American Chemical Society}, volume = {127}, number = {12}, year = {2005}, month = {MAR}, pages = {4144-4145}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0002-7863}, doi = {10.1021/ja044142v}, author = {Govindaraju, T and Kumar, VA and Ganesh, Krishna N.} } @article { ISI:000229484600033, title = {Stereoselective syntheses of (+)-alpha- and (-)-beta-conhydrine from L-aspartic acid}, journal = {Tetrahedron Letters}, volume = {46}, number = {23}, year = {2005}, month = {JUN}, pages = {4091-4093}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient synthesis of (+)-alpha-conhydrine 1 and (-)-beta-conhydrine 2 has been achieved by. diastereo selective alkylation of an amino aldehyde derivative 7 with ethylmagnesium bromide or diethylzinc. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Alkylation, conhydrine, Grignard reaction, Piperidine alkaloids, stereoselectivity}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.04.013}, author = {Pandey, SK and Kumar, P} } @article { ISI:000231406400013, title = {Stereoselective syntheses of (+)-proto, (-)-gala quercitols and carba-L-rhamnose from D-(-)-quinic acid}, journal = {Tetrahedron Letters}, volume = {46}, number = {37}, year = {2005}, month = {SEP}, pages = {6235-6238}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Efficient syntheses of (+)-proto, (-)-gala quercitols and carba-L-rhamnose front D-(-)-quinic acid are described. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {(+)-proto quercitol, (-)-gala quercitol, carba-L-rhamnose, cyclohexanepentols, D-(-)-quinic acid, stereoselectivity}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.07.052}, author = {Murugan, A. Vadivel and Yadav, A. K. and Gurjar, M. K.} } @article { ISI:000227833600014, title = {Stereoselective synthesis of (2R, 3S, 22R, 23E)-6, 6-ethylenedioxy-22-hydroxy-2, 3-isopropylidenedioxy-24-methyl-5 alpha-cholest-23-ene: An intermediate for the synthesis of castasterone, dolichosterone and brassinolide}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {44}, number = {3}, year = {2005}, month = {MAR}, pages = {611-614}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, issn = {0376-4699}, author = {Hazra, Braja G. and Kumar, T. P. and Pore, V. S.} } @article { ISI:000227508600006, title = {Stereoselective synthesis of (2S,7S)-7-(4-phenoxymethyl)2-(1-N-hydroxyureidyl-3-butyn-4-yl)oxepane: a potential anti-asthmatic drug candidate}, journal = {Tetrahedron-Asymmetry}, volume = {16}, number = {5}, year = {2005}, month = {MAR}, pages = {935-939}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We have achieved a short, efficient stereoselective synthesis of 7-membered oxepane derivatives with potential against asthma. Highlights of our synthetic strategy are regioselective oxidation of a hydroxyl group and efficient ring closure of an open chain aldehyde to a 2-benzenesulfonyl oxepane derivative with PhSO2H. Surprisingly the cis-isomer showed better activity than the traps-isomer. (C) 2005 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2005.01.024}, author = {Gurjar, M. K. and Rao, B. V. and Krishna, L. M. and Chorghade, Mukund S. and Ley, S. V.} } @article { ISI:000227506100040, title = {Stereoselective synthesis of (+)-boronolide}, journal = {Tetrahedron Letters}, volume = {46}, number = {12}, year = {2005}, month = {MAR}, pages = {2129-2131}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient enantio- and stereocontrolled total synthesis of (+)-boronolide from valeralclehyde is described. The key steps include a Sharpless asymmetric dihydroxylation, a chelation controlled Grignard reaction followed by Sharpless asymmetric epoxidation and a ring closing metathesis. (C) 2005 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.01.120}, author = {Naidu, SV and Gupta, P and Kumar, P} } @article { ISI:000227411400039, title = {Stereoselective synthesis of (-)-microcarpalide}, journal = {Tetrahedron Letters}, volume = {46}, number = {11}, year = {2005}, month = {MAR}, pages = {1939-1941}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A highly convergent and efficient synthesis of (-)-microcarpalide, a 10-membered lactone displaying remarkable microfilament disrupting activity is described. Ring-closing metathesis and Sharpless asymmetric dihydroxylations are the key steps. Our strategy highlights the application of novel hydroxy lactone precursors for the stereoselective synthesis of (-)-microcarpalide. (C) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {4-diol, cis-2-butene-1, Claisen ortho ester rearrangement, microcarpalide, Ring-closing metathesis, sharpless asymmetric dihydroxylation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.01.052}, author = {Chavan, Subhash P. and Praveen, C.} } @article { ISI:000230685900019, title = {Stereoselective synthesis of spiroannulated cyclopentenones by the Pauson-Khand reaction on carbohydrate derived enynes}, journal = {Tetrahedron Letters}, volume = {46}, number = {32}, year = {2005}, month = {AUG}, pages = {5329-5332}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The stereoselective synthesis of spiroannulated cyclopentenones by the Pauson-Khand reactions on hexose and pentose derived enynes was achieved under carbon monoxide free conditions using a stoichiometric quantity of Co-2(CO)(8). The cobalt complex of the alkyne was cleaved using dimethoxyethane-acetonitrile at 85 degrees C to furnish spiroarmulated cyclopentenones in 75-94\% yields. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {carbohydrates, cyclopentenone, diversity oriented synthesis, Pauson-Khand reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.06.013}, author = {Hotha, Srinivas and Maurya, S. K. and Gurjar, M. K.} } @article { ISI:000230879600018, title = {Stereoselectivity ratios in a simple Diels-Alder reaction in aqueous salt solutions of alcohols}, journal = {Tetrahedron}, volume = {61}, number = {33}, year = {2005}, month = {AUG}, pages = {8025-8030}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
This is the first exhaustive report on the variation of stereoselectivity ratios for a simple Diels-Alder reaction between cyclopentadiene and methyl acrylate. The reaction was carried out in aqueous mixtures of methanol, ethanol, propan-1-ol and butan-1-ol in presence of LiClO4, LiCl, NaCl, KCl, CaCl2 and MgCl2. The endo sterecisomer decreases with the increase in carbon chain length of the alcohol. However, LiClO4, a salting-in agent in water becomes salting-out in aqueous mixtures of alcohols. The solvent properties, thus can be attuned by adjusting the amount of solvents and salts. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {aqueous alcohols, Diels-Alder reaction, endolexo ratios, salts}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.06.010}, author = {Deshpande, Suvarna S. and Kumar, Anil} } @article { ISI:000231294400029, title = {Stereospecific route to 5,11-methanomorphanthridine alkaloids via intramolecular 1,3-dipolar cycloaddition of nonstabilized azomethine ylide: Formal total synthesis of (+/-)-pancracine}, journal = {Organic Letters}, volume = {7}, number = {17}, year = {2005}, month = {AUG}, pages = {3713-3716}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
[GRAPHICS] The core structure of the complex pentacyclic 5,11-methanomorphanthridine alkaloids is constructed stereospecifically in one step employing an intramolecular [3 + 2]-cycloaddition of nonstabilized azomethine ylide as the key step. The strategy is demonstrated by accomplishing the formal total synthesis of (+/-)-pancracine.
}, issn = {1523-7060}, doi = {10.1021/ol051321o}, author = {Pandey, Ganesh and Banerjee, Prabal and Kumar, Ravindra and Puranik, Vedavati G.} } @article {42826, title = {Stochastic model for first order reaction networks}, journal = {Bulletin of Mathematical Biology}, volume = {67}, year = {2005}, month = {SEP}, pages = {901{\textendash}946}, type = {Article}, abstract = {
A stochastic model for a general system of first-order reactions in which each reaction may be either a conversion reaction or a catalytic reaction is derived. The governing master equation is formulated in a manner that explicitly separates the effects of network topology from other aspects, and the evolution equations for the first two moments are derived. We find the surprising, and apparently unknown, result that the time evolution of the second moments can be represented explicitly in terms of the eigenvalues and projections of the matrix that governs the evolution of the means. The model is used to analyze the effects of network topology and the reaction type on the moments of the probability distribution. In particular, it is shown that for an open system of first-order conversion reactions, the distribution of all the system components is a Poisson distribution at steady state. Two different measures of the noise have been used previously, and it is shown that different qualitative and quantitative conclusions can result, depending on which measure is used. The effect of catalytic reactions on the variance of the system components is also analyzed, and the master equation for a coupled system of first-order reactions and diffusion is derived.
}, doi = {10.1016/j.bulm.2004.09.009}, author = {Gadgil, Chetan J. and Lee, Chang Hyeong and Othmer, Hans G.} } @article { ISI:000228412500017, title = {Structural rationalisation of co-crystals formed between trithiocyanuric acid and molecules containing hydrogen bonding functionality}, journal = {Chemistry - A European Journal}, volume = {11}, number = {8}, year = {2005}, note = {Symposium on Chemistry-A European Conference - Stimulating Concepts in Chemistry, Inst Sci Ingenierie Supramoleculaires, Strasbourg, FRANCE, APR 15, 2005}, month = {APR}, pages = {2433-2439}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Crystallisation of trithiocyanuric acid (TTCA) from various organic solvents that have hydrogen bonding capability (acetone, 2-butanone, dimethylformamide, dimethyl sulfoxide, methanol and acetonitrile) leads to the formation of co-crystals in which the solvent molecules are incorporated together with TTCA in the crystal structure. Structure determination by single-crystal X-ray diffraction reveals that these co-crystals can be classified into different groups depending upon the topological arrangement of the TTCA molecules in the crystal structure. Thus, three different types of single-tape arrangements of TTCA molecules and one type of double-tape arrangement of TTCA molecules are identified. In all co-crystals, hydrogen-bonding interactions are formed through the involvement of N-H bonds of TTCA molecules in these tapes and the other molecule in the co-crystal. Detailed rationalisation of the structural properties of these co-crystals is presented.
}, keywords = {crystal engineering, hydrogen bonds, nitrogen heterocycles, structure elucidation}, issn = {0947-6539}, doi = {10.1002/chem.200400340}, author = {Ahn, Sung-Hoon and PrakashaReddy, J. and Kariuki, B. M. and Chatterjee, S. and Ranganathan, A. and Pedireddi, V. R. and Rao, C. N. R. and Harris, Kenneth D. M.} } @article { ISI:000228765100019, title = {Structure of poly(L-lactic acid)s prepared by the dehydropolycondensation of L-lactic acid with organotin catalysts}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {10}, year = {2005}, month = {MAY}, pages = {2164-2177}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The synthesis of low-molecular-weight (weight-average molecular weight \< 45,000 g/mol) lactic acid polymers through the dehydropolycondensation of L-lactic acid was investigated. Polymerizations were carried out in solution with solvents (xylene, mesitylene, and decalin), without a solvent using different Lewis acid catalysts (tetraphenyl tin and tetra-n-butyldichlorodistannoxane), and at three different polymerization temperatures (143, 165, and 190 degrees C). The products were characterized with differential scanning calorimetry, size exclusion chromatography, vapor pressure osmometry, C-13 NMR, and matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF). The resulting polymers contained less than 1 mol \% lactide, as shown by NMR. The number-average molecular weights were calculated from the ratio of the area peaks of ester carbonyl and carboxylic acid end groups via C-13 NMR. The stereosequences were analyzed by C-13 NMR spectroscopy on the basis of triad effects. Tetraphenyl tin was an effective transesterification catalyst, and the randomization of the stereosequence at 190 degrees C was observed. In contrast, the distannoxane catalyst caused comparatively less transesterification reaction, and the randomization of the stereosequences was slow even at 190 degrees C. The L-lactic acid and D-lactic acid isomers were added to the polymer chain in a small, blocky fashion. The MALDI-TOF spectra of poly(L-lactic acid) (PLA) chains doped with Na+ and K+ cations showed that the PLA chains had the expected end groups. The MALDI-TOF analysis also enabled the simultaneous detection of the cyclic oligomers of PLA present in these samples, and this led to the full structural characterization of the molecular species in PIA. (c) 2005 Wiley Periodicals, Inc.
}, keywords = {C-13 NMR, dehydropolycondensation, Lewis acid catalysts, MALDI, polymerization, randomization, stereosequence}, issn = {0887-624X}, doi = {10.1002/pola.20679}, author = {Shyamroy, S. and Garnaik, Baijayantimala and Sivaram, S.} } @article { ISI:000225747800012, title = {Studies on characterization of nano CaCO3 prepared by the in situ deposition technique and its application in PP-nano CaCO3 composites}, journal = {Journal of Polymer Science Part B: Polymer Physics}, volume = {43}, number = {1}, year = {2005}, month = {JAN}, pages = {107-113}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The elegant approach of in situ deposition technique was used for the synthesis of nano CaCO3 the nanosize of particles was confirmed by the X-ray diffraction (XRD) technique. Differential scanning calorimetry (DSC) was used for determination of the enthalpy. The nano CaCO3 polypropylene (PP) composites were prepared by taking 2 and 10 wt \% of different nanosizes (21-39 nm) of CaCO3. Conversion of the alpha phase to beta was observed in the case of 2 wt \% of a 30-nm sized amount of CaCO3 in a PP composite. The decrement in DeltaH and percent. crystallinity, as well as the increment in melt temperature were recorded for 6 wt \% nano CaCO3 with a decrease in nanosize from 39 to 21 nm. The increment in tensile strength with an increase in the amount of nano CaCO3 was observed, and the tower particle size shoved Greater improvement. The improvement in thermal and mechanical properties is because of the formation of a greater number of small spherulites uniformly present in the PP matrix. (C) 2004 Wiley Periodicals, Inc.
}, keywords = {Crystallization, DSC, mechanical and thermal properties, nano CaCO3, polypropylene, XRD}, issn = {0887-6266}, doi = {10.1002/polb.20296}, author = {Mishra, Satyendra and Sonawane, S. H. and Singh, R. P.} } @article { ISI:000231458500048, title = {Studies on conducting polymer electroactive paper actuators: effect of humidity and electrode thickness}, journal = {Smart Materials \& Structures}, volume = {14}, number = {4}, year = {2005}, month = {AUG}, pages = {876-880}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Actuators based on cellulose paper with conducting polymer (CP-EAPap) as an electrode material were constructed. The bilayer and trilayer types of actuators were fabricated by depositing conducting polypyrrole on one side and two sides of cellophane paper respectively, which was previously gold coated. By varying the deposition time, the electrode thickness was manipulated. The performance of these two types of actuators was compared with respect to humidity changes and thickness variation. The electrode thickness plays a key role in the displacement behavior of these types of actuators. The best performance at higher humidity is also characteristic of CP-EAPap actuators. The possible mechanism of actuation is addressed in this paper.
}, issn = {0964-1726}, doi = {10.1088/0964-1726/14/4/048}, author = {Deshpande, S. D. and Kim, Jaehwan and Yun, Sung-Ryul} } @article { ISI:000233833100010, title = {Studies on effect of silane coupling agent on the mechanical properties of clay filled natural rubber}, journal = {Journal of the Indian Chemical Society}, volume = {82}, number = {11}, year = {2005}, month = {NOV}, pages = {985-988}, publisher = {INDIAN CHEMICAL SOC}, type = {Article}, address = {92 ACHARYA PRAFULLA CHANDRA RD ATTN:DR INDRAJIT KAR/EXEC SEC, CALCUTTA 700009, INDIA}, abstract = {
Effect of treatment of coupling agents bis(3-triethoxvsilylpropyl)tetrasulphide (Si-69)] on mechanical properties of composites made from natural rubber and clay is reported here. The treatment resulted in enhancement of mechanical properties of composites of the said rubber when compared with untreated clay composites separately. The properties under consideration were tensile strength, modulus at 100\% and 400\%, Young{\textquoteright}s modulus, elongation at break, hardness, etc. Tensile strength was improved by 118.75\%, modulus at 400\% was found to improve by 422\% while Young{\textquoteright}s modulus also was improved by 133\% when compared with untreated clay composites at 0.42 volume fraction.
}, issn = {0019-4522}, author = {Alkadasi, N. A. N. and Sarwade, B. D. and Kapadi, U. R. and Hundiwale, D. G.} } @article { ISI:000226466700032, title = {Studies on the crystallization behavior of nylon-6 in the presence of layered silicates using variable temperature WAXS and FTIR}, journal = {Macromolecules}, volume = {38}, number = {2}, year = {2005}, month = {JAN}, pages = {454-462}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The crystallization of nylon-6 clay nanocomposite was studied by variable temperature wide-angle X-ray scattering (WAXS) and Fourier transform infrared spectroscopy (FTIR). Nylon-6 was found to crystallize into gamma phase at 210 degreesC, as indicated by its characteristic peaks in WAXS. However, an additional peak was observed close but on the lower angle side of the main gamma phase peak, indicating the presence of a metastable phase. The extent of metastable phase that developed was dictated by the clay content in the nanocomposite as well as the crystallization conditions. The temperature dependence of the d spacing of the gamma phase obtained in the presence of clay layers showed difference from the gamma phase obtained by treating nylon-6 in KI/I-2 solution. Variable temperature FTIR studies were conducted on the gamma phases for the first time, and it showed definite differences in the spectra of the phases obtained by the two methods.
}, issn = {0024-9297}, doi = {10.1021/ma048860d}, author = {Nair, S. S. and Ramesh, C.} } @article { ISI:000234330700013, title = {Studies on the lactic-fermentation of sugar apple (Annona squamosa L.) puree}, journal = {Journal of Food and Drug Analysis}, volume = {13}, number = {4}, year = {2005}, month = {DEC}, pages = {377-381}, publisher = {NATL LABORATORIES FOODS DRUGS}, type = {Article}, address = {161-2 KUEN YANG STREET, NANKANG, TAIPEI, TAIWAN}, abstract = {
Sugar apple (Annona squamosa L.) is a fruit tree of economic importance in Taiwan, with the fruit primarily consumed fresh. Overproduction in recent years, coupled with short shelf life and other practical issues, make practical the research into uses for sugar apples in formats other than fresh. This study presents an exploration of lactic-fermented sugar apple products. The product has a unique sweet aroma and a test panel found its texture to be appealing. For this study, sugar apple puree was used as the substrate for fermentation using mixed starters in a ratio 1:1 or 1:1:1. The high total soluble solid nature (20.5 +/- 4.33 degrees Brix) of sugar apple puree as compared to that of mixed fruit juice (lower than 10 Brix) indicates its potential to be used in fermentation. Following fermentation, the properties and effects of different starter inoculations were recorded and discussed. Fermentation achieved a pH value of 3.8 after 60 hr. The performance of fermented product in the DPPH (alpha,alpha-diphenyl-beta- picrylhydrazyl) decreased from 92\% to 78\% after 48 hr, followed by a stationary state. Fermented sugar apple puree and fresh sugar apple juice blended in a ratio of 2:8 delivered the highest DPPH scavenging efficiency (88\%) and iron chelating ability (49\%). The relatively high values of these properties offer the potential for sugar apple juice to be further developed as a novel functional food. Such a development would surely help to ease recent overproduction problems.
}, keywords = {annonaceae, DPPH scavenging, Fermentation, Lactobacillus}, issn = {1021-9498}, author = {Tien, Y. Y. and Ng, C. C. and Chang, C. C. and Tseng, W. S. and Kotwal, S. and Shyu, Y. T.} } @article { ISI:000230729300026, title = {Study of correlation of structural and surface properties with electrochemical behaviour in carbon aerogels}, journal = {Journal of Materials Science}, volume = {40}, number = {14}, year = {2005}, month = {JUL}, pages = {3777-3782}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Carbon aerogel is a promising material for electrochemical double layer capacitors. In this paper carbon aerogels prepared by subcritical drying method are investigated for the change in the structure and surface properties at different pyrolysis temperatures. The important relations between structure, morphology, surface area and electrical properties were studied using X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), surface area measurement and cyclic voltametry. It is shown that structure and the surface functional groups play important role in enhancement of electrochemical capacitance. The specific capacitance achieved was 114 F/gm which is quite large value for subcritically prepared carbon aerogels without any kind of activation process. (c) 2005 Springer Science + Business Media, Inc.
}, issn = {0022-2461}, doi = {10.1007/s10853-005-3318-4}, author = {Hebalkar, Neha and Arabale, G. and Sainkar, S. R. and Pradhan, S. D. and Mulla, Imtiaz S. and Vijayamohanan, K. and Ayyub, P. and Kulkarni, S. K.} } @article { ISI:000228607400011, title = {Sulfonate protecting groups. synthesis of O- and C-methylated inositols: D- and L-ononitol, D- and L-laminitol, mytilitol and scyllo-inositol methyl ether}, journal = {Tetrahedron}, volume = {61}, number = {18}, year = {2005}, month = {MAY}, pages = {4437-4446}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Syntheses of D- and L-ononitol, D- and L-laminitol, mytilitol and scyllo-inositol methyl ether starting from myo-imositol are described. One or two of the inyo-inositol 1,3,5-orthoformate hydroxyl groups were protected as tosylates. These mono or ditosylates served as key intermediates for the preparation of O- and C-methyl inositols. Racemic 2,4-di-O-tosyl-myo-inositol 1,3,5-orthoformate was resolved as its diastereomeric camphanates. Use of sulfonate groups for the protection of inositol hydroxyl groups resulted in substantial improvement in the overall yield of O- and C-methyl inositols. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Cyclitol, Inositol, Orthoester, Protecting group, sulfonate}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.02.073}, author = {Sarmah, M. P. and Shashidhar, M. S. and Sureshan, K. M. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000232933700014, title = {Superspin glass behavior of a nonstoichiometric lanthanum manganite LaMnO3.13}, journal = {Physical Review B}, volume = {72}, number = {13}, year = {2005}, month = {OCT}, pages = {132407}, publisher = {AMERICAN PHYSICAL SOC}, type = {Article}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
Aging and memory effects are observed in an oxygen nonstoichiometric lanthanum manganite LaMnO3.13 from time-dependent dc magnetic measurements by employing various cooling protocols. The results can be best described by the superspin glass model of interacting magnetic nanoparticles system. The possible origin of such a behavior is the confinement of interacting small magnetic clusters formed as a result of the formation of manganese vacancies, along with the random distribution of tetravalent manganese ions in the lattice.
}, issn = {1098-0121}, doi = {10.1103/PhysRevB.72.132407}, author = {Sankar, C. R. and Joy, Pattayil Alias} } @article { ISI:000232341900001, title = {Surface disorder in c-Si induced by swift heavy ions}, journal = {Radiation Effects and Defects in Solids}, volume = {160}, number = {6}, year = {2005}, month = {JUN}, pages = {207-218}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
The disorders induced in crystalline silicon (c-Si) through the process of electronic energy loss in the swift heavy ion irradiation were investigated. A number of silicon \<100\> samples were irradiated with 65 MeV oxygen ions at different fluences, 1x10(13) to 1.5x10(14) ions/cm(2), and characterized by the Raman spectroscopy, the optical reflectivity, the X-ray reflectivity, the atomic force microscopy (AFM) and the X-ray diffraction (XRD) techniques. The intensity, redshift, phonon coherence length and asymmetric broadening associated with the Raman peaks reveal that stressed and disordered lattice zones are produced in the surface region of the irradiated silicon. The average crystallite size, obtained by analyzing Raman spectrum with the phonon confinement model, was very large in the virgin silicon but decreased to \<100 nm dimension in the ion irradiated silicon. The results of the X-ray reflectivity, AFM and optical reflectivity of 200-700 nm radiation indicate that the roughness of the silicon surface has enhanced substantially after ion irradiation. The diffusion of oxygen in silicon surface during ion irradiation is evident from the oscillation in the X-ray reflectivity spectrum and the sharp decrease in the reflectivity of 200-400 nm radiation. The rise in temperature, estimated from the heat spike model, was high enough to melt the local silicon surface. The results of XRD indicate that lattice defects have been induced and a new plane \<211\> has been formed in the silicon \<100\> after ion irradiation. The results of the present study show that the energy deposited in crystalline silicon through the process of electronic energy loss similar to 0.944 keV/nm per ion is sufficient to induce disorders of appreciable magnitude in the silicon surface even at a fluence of similar to 10(13) ions/cm(2).
}, keywords = {AFM, crystalline silicon, ion irradiation, optical and X-ray reflectivity, Raman, XRD}, issn = {1042-0150}, doi = {10.1080/10420150500275288}, author = {Bogle, Kashinath A. and Gokhale, Suresh P. and Bhoraskar, Vasant N.} } @article { ISI:000224609100004, title = {SVM classifier incorporating simultaneous noise reduction and feature selection: illustrative case examples}, journal = {Pattern Recognition}, volume = {38}, number = {1}, year = {2005}, month = {JAN}, pages = {41-49}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A hybrid technique involving symbolization of data to remove noise and use of conditional entropy minima to extract relevant and non-redundant features is proposed in conjunction with support vector machines to obtain more robust classification algorithm. The technique tested on three data sets shows improvements in classification efficiencies. (C) 2004 Pattern Recognition Society. Published by Elsevier Ltd. All rights reserved.
}, keywords = {classification, conditional entropy, SVM, symbolization}, issn = {0031-3203}, doi = {10.1016/j.patcog.2004.06.002}, author = {Kumar, R. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000228080800024, title = {Swelling behavior and diffusion studies of high-water-retaining acrylamide/potassium methacrylate hydrogels}, journal = {Journal of Applied Polymer Science}, volume = {96}, number = {4}, year = {2005}, month = {MAY}, pages = {1153-1164}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Poly(acrylamide-co-potassium methacrylate) hydrogels were prepared by free-radical simultaneous polymerization with aqueous solutions of acrylamide (AAm) and potassium methacrylate (KMA) with a redox initiator. The copolymerization was performed with eight different compositions of KMA at a fixed concentration of oil-soluble crosslinkers, including 1,4-butanediol diacrylate and ethylene glycol dimethacrylate (EGDMA). For every composition of AAm/KMA copolymer, the percentage swelling, swelling equilibrium, and diffusion characteristics were investigated. The copolymers were further studied for deswelling properties. The power law relationships of the hydrogels were evaluated for variation in terms of saline concentration. The AAm/KMA copolymers were confirmed by IR spectroscopy. Thermal studies of hydrogels were performed with differential scanning calorimetry and thermogravimetric analysis. EGDMA was found to be a better crosslinker for obtaining higher swelling and deswelling properties for the AAm/KMA hydrogels. (c) 2005 Wiley Periodicals, Inc.
}, keywords = {Diffusion, hydrogels, swelling}, issn = {0021-8995}, doi = {10.1002/app.21565}, author = {Mohan, Y. M. and Murthy, P. S. K. and Rao, K. M. and Sreeramulu, J. and Raju, K. M.} } @article { ISI:000232886800008, title = {Synthesis and analysis of ZnO and CdSe nanoparticles}, journal = {Pramana-Journal of Physics}, volume = {65}, number = {4, SI}, year = {2005}, note = {1st National Conference on Nanoscience and Technology, Pune, INDIA, MAR 07-08, 2005}, month = {OCT}, pages = {615-620}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Zinc oxide and cadmium selenide particles in the nanometer size regime have been synthesized using chemical routes. The particles were capped using thioglycerol in case of ZnO and 2-mercaptoethanol in case of CdSe to achieve the stability and avoid the coalescence. Zinc oxide nanoparticles were doped with europium to study their optical properties. A variety of techniques like UV-Vis absorption spectroscopy, X-ray diffraction (XRD), photoluminescence (PL), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FT-IR) and transmission electron microscopy (TEM) were used to carry out structural and spectroscopic characterizations of the nanoparticles.
}, keywords = {chemical capping, Doping, Nanoparticles, photoluminescence}, issn = {0304-4289}, doi = {10.1007/BF03010449}, author = {Ashtaputre, S. S. and Deshpande, Aparna and Marathe, Sayali and Wankhede, M. E. and Chimanpure, J. and Pasricha, R. and Urban, J. and Haram, Santosh K. and Gosavi, S. W. and Kulkarni, S. K.} } @article { ISI:000227403100013, title = {Synthesis and assembly of gold nanoparticles in quasi-linear lysine-keggin-ion colloidal particles}, journal = {Advanced Functional Materials}, volume = {15}, number = {2}, year = {2005}, month = {FEB}, pages = {273-280}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
The formation of fiber-like colloidal particles of the amino acid lysine complexed with Keggin ions is demonstrated. The lysine-phosphotungstic acid (PTA) colloidal particles act as excellent templates for the synthesis and assembly of gold nanoparticles wherein the lysine-PTA complex acts as a UV-switchable reducing agent for gold ions. This novel bio-organic-inorganic template shows excellent potential as a regulated nanoreactor for application in programmed nanoparticle synthesis and assembly in a single step.
}, issn = {1616-301X}, doi = {10.1002/adfm.200400107}, author = {Sanyal, A. and Mandal, Sujata and Sastry, M.} } @article { ISI:000232341100013, title = {Synthesis and biodegradability of polyaspartic acid: a critical review}, journal = {Journal of Macromolecular Science-Pure and Applied Chemistry}, volume = {A42}, number = {9}, year = {2005}, month = {SEP}, pages = {1299-1315}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Poly(aspartic acid) (PAA) being biodegradable is suitable for various industrial medical and agricultural applications to replace many non-biodegradable polymers in use. Poly(aspartic acid) can be synthesized by different methods with and without catalyst in different forms such as polysuccinimide, either hydrolyzed to acid or salt. The polymer of (aspartic acid) is present in different forms such as alpha, beta and L, D isomers. The conformational analysis of poly(aspartic acid) was done by various analytical methods. Different combinations of these two isomer present in different percentage can be detected by various methods such as Hoffman degradation, IR, and NMR spectroscopic analysis. From the standard test for biodegrad ability, it was shown that the polymer is fully biodegradable. In this review, synthesis and characterization of homo and copolymer derivatives of PAA, along with the application and biodegradability in comparison with the other polymer in use, is discussed briefly.
}, keywords = {Biodegradation, poly(aspartic acid), Polycondensation, polysuccinimide, synthesis, thermal}, issn = {1060-1325}, doi = {10.1080/10601320500189604}, author = {Thombre, SM and Sarwade, BD} } @article { ISI:000227248600018, title = {Synthesis and characterization of a novel extra large pore aluminophosphate molecular sieve, NCL-6}, journal = {Journal of the Indian Chemical Society}, volume = {82}, number = {1}, year = {2005}, month = {JAN}, pages = {77-78}, publisher = {INDIAN CHEMICAL SOC}, type = {Article}, address = {92 ACHARYA PRAFULLA CHANDRA RD ATTN:DR INDRAJIT KAR/EXEC SEC, CALCUTTA 700009, INDIA}, abstract = {
A novel extra large pore aluminophosphate molecular sieve NCL-6, has been prepared and characterized by various techniques such as XRD, SEM, TG/DTA, carbon and nitrogen analysis, FT-IR and MAS NMR are reported. X-Ray diffraction pattern shows that the synthesized sample is crystalline and have novel structure. SEM analysis indicate the phase purity and having granules morphology with 3 x 5 mum particle size. FT-IR spectrum in the framework region shows that the sample is similar to the other known aluminophosphates. TG/DTA shows that the sample losses 30.45\% due to the loss of water and organic molecules. Aluminium and phosphorous NMR shows that the presence of four different aluminium and three different phosphorous sites. The NMR are similar to VPI-5, NCL-2 and NCL-3.
}, issn = {0019-4522}, author = {Venkatathri, N} } @article { ISI:000226787200011, title = {Synthesis and characterization of aromatic polyamides containing an s-triazine ring with thiophenoxy linkages}, journal = {Polymer International}, volume = {54}, number = {3}, year = {2005}, month = {MAR}, pages = {569-575}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
A series of aromatic polyamides containing an s-triazine ring with thiophenoxy linkages was synthesized from two new diacids, namely 2,4-bis-(4-carboxyphenoxy)-6-thiophenoxy-s-triazine and 2,4-bis-(3-carboxyphenoxy)-6-thiophenoxy-s-triazine, and commercially available aromatic diamines by using Yamazaki{\textquoteright}s phosphorylation reaction. The polyamides were obtained in good yields and were characterized by solubility tests, viscosity measurements, FTIR, H-1 and C-13 NMR spectroscopy, X-ray diffraction studies and thermogravimetric analysis. The polyamides were found to have inherent viscosities in the range of 0.35 to 0.56 dl g(-1) in N,N-dimethylacetamide (DMAc) at 30 +/- 0.1 degreesC. All the polyamides were readily soluble in solvents such as DMAc, N-methyl-2-pyrrolidone (NMP), N,N-dimethylformamide (DMF) and m-cresol. Thermogravimetric analysis of the polyamides indicated no weight loss below 345 degreesC under a nitrogen atmosphere. (C) 2004 Society of Chemical Industry.
}, keywords = {2, 4-bis-(3/4-carboxyphenoxy)-6-thiophenoxy-s-triazine, direct polycondensation, polyamide, s-triazine ring}, issn = {0959-8103}, doi = {10.1002/pi.1733}, author = {Pal, R. R. and Patil, P. S. and Salunkhe, M. M. and Maldar, Noormahamad N. and Wadgaonkar, P. P.} } @article { ISI:000226567700007, title = {Synthesis and characterization of ferrocenylchalcogenopropargyl complexes [Fe(eta(5)-(C5H4ECH2C)-C-I CH)(2)] (E-I = Se, S) and their reactions to form unusual ferrocenyl-containing metal clusters with eclipsed Cp rings and new five-membered (FeECH)-C-I =}, journal = {Organometallics}, volume = {24}, number = {3}, year = {2005}, month = {JAN}, pages = {367-372}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{The new bis(chalcogenopropargyl)ferrocene complexes [Fe(eta(5)-C(5)H(4)E(I)CH(2)CdropCH)(2)] (E-I = Se, 1; E-I = S, 2) have been prepared by treatment of the dilithiated [Fe(eta(5)-C5H4Li)(2)] with Se or S powder, followed by reaction with propargyl bromide. Reaction of 1 and 2 with [Fe2M(mu(3)-E)(2)(CO)(9)] (E = S, Se and M = Fe, Ru) forms new clusters which feature an unusual five-membered (FeECH)-C-I=CCH2 ring with a pi bond between the olefinic unit and the Fe atom, and the Cp rings adopt an eclipsed arrangement. The structures of 1 and [Fe(eta(5)-C5H4E(I)-CH(2)CdropCH) (eta(5)-C5H4{Fe2M(CO)(8)(mu-E)((ECHCCH2)-C-I)})] (M = Fe
}, issn = {0276-7333}, doi = {10.1021/om049226r}, author = {Mathur, P. and Singh, V. K. and Mobin, Shaikh M. and Srinivasu, C. and Trivedi, R. and Bhunia, A. K. and Puranik, Vedavati G.} } @article { ISI:000225497800035, title = {Synthesis and characterization of microwave-hydrothermally derived Ba1-xSrxTiO3 powders}, journal = {Materials Letters}, volume = {59}, number = {2-3}, year = {2005}, month = {JAN}, pages = {293-296}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Submicron-sized, spherical, stoichiometric strontium substituted barium titanate: Ba0.75Sr0.25TiO3 (BST) powders are prepared by microwave-hydrothermal (MH) route under the MH conditions of 200 degreesC, 200 psi, and 30 min in strongly alkaline conditions (pH\>12) using potassium titanyl oxalate (KTO) and nitrates of Ba and Sr as the starting precursors and KOH as the mineralizer. The characterization studies by XRD, XRF and SEM indicated that stoichiometric cubic BST powders (a(0)=3.992 A) were obtained by adjusting MH conditions mentioned earlier and keeping the (Ba+Sr)/Ti ratio in starting solution slightly in excess (similar to1.06). (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {barium-strontium titanate, dissolution-recrystallization, Microstructure, microwave-hydrothermal synthesis, mineralizer, SEM, XRD, XRF}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.10.006}, author = {Deshpande, S. B. and Khollam, Y. B. and Bhoraskar, Y. B. and Date, Sadgopal K. and Sainkara, S. R. and Potdar, H. S.} } @article { ISI:000229051200014, title = {Synthesis and characterization of polyimides and co-polyimides having pendant benzoic acid moiety}, journal = {Polymer}, volume = {46}, number = {11}, year = {2005}, month = {MAY}, pages = {3669-3676}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A novel diamine monomer, 2,4-diamino-4{\textquoteright}-carboxy diphenyl ether had been synthesized. Several polyimides were prepared by reacting this diamine with commercially available dianhydrides, such as benzophenone tetracarboxylic acid dianhydride (BTDA), 4,4{\textquoteright}bis{hexafluoroisopropylidene his (phthalic anhydride)} (6-FDA), oxydiphthalic anhydride (ODPA) and 3,3{\textquoteright},4,4{\textquoteright}-biphenyltetracarboxylic acid dianhydride (BPDA). Furthermore, copolymers from the resulting diamine and oxydianiline (ODA) with 6 FDA were also synthesized. The inherent viscosities of the polymers were 0.42-0.67 dl g(-1). The polymers have good solubility in polar aprotic solvents, high thermal stability up to 410 \&DEG; C in nitrogen and high glass transition temperatures (T-g) ranging from 260-330 \&DEG; C. These polymers formed tough flexible films by solution casting. {\textcopyright} 2005 Elsevier Ltd. All rights reserved.
}, keywords = {co-polyimides, diamine with pendant benzoic acid, polyimides with pendant benzoic acid}, issn = {0032-3861}, doi = {10.1016/j.polymer.2005.03.001}, author = {Kulkarni, M and Kothawade, S and Arabale, G. and Wagh, D and Vijayamohanan, K and Kulkarni, RA and Vernekar, SP} } @article {42602, title = {Synthesis and curing studies of PPG based telechelic urethane methacrylic macromonomers}, journal = {European Polymer Journal}, volume = {41}, year = {2005}, month = {JAN}, pages = {23{\textendash}33}, type = {Article}, abstract = {
A New class of telechelic urethane methacrylic (TUMA) macromonomers were synthesized by a two-step condensation of 1, 6-hexamethylenediisocyanate (HMDI) with polypropylene glycol (PPG) of various molecular weights and capped with hydroxyl ethyl methacrylate (HEMA). A model compound based on diethylene glycol (DEG){\textemdash}M-1 was synthesized as a low molecular weight analogue. Another model compound{\textemdash}M-2 was also synthesized by direct coupling of two equivalents of HEMA with HMDI. The structure of the telechelic urethanes were confirmed by 1H, 13C NMR and FTIR spectroscopy. Photopolymerization of these telechelic systems was investigated using 2,2-diethoxy acetophenone as the photoinitiator at 5 wt.\%. Trihydroxymethylpropane trimethacrylate (30 parts), PPG diacrylates (25 parts), ethylhexyl acrylate (20 parts) were mixed with the various telechelic urethane methacrylates (25 parts) for curing studies. The kinetics of the curing was monitored by following the disappearance of the methacrylic double bonds at 1628 cm-1 using IR spectroscopy. TUMAPPG-425 had the fastest cure rate among the telechelic urethane methacrylates. This could be accounted for by hydrogen bonding pre-association in these systems. The thermal properties of the cured films were studied using TGA measurements. The cured films of the neat resin had a lower 50 wt.\% loss temperature compared with that of the same resin in the formulation.
}, doi = {10.1016/j.eurpolymj.2004.08.005}, author = {Asha, S. K. and Thirumal, M. and Kavitha, A. and Pillai, C.K.S.} } @article { ISI:000232405500048, title = {Synthesis and intramolecular nitrile oxide cycloaddition of 3,5 {\textquoteleft}-ether-linked pseudooligosaccharide derivatives: an approach to chiral macrooxacycles}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {21}, year = {2005}, month = {OCT}, pages = {8579-8582}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
[GRAPHIC] 3,5{\textquoteright}-Ether-linked pseudooligopentose derivatives were synthesized for the first time from readily available carbohydrate precursors. The 1,2-isopropylidene-protected ether-linked oligopentoses are potentially important as precursors of novel RNA analogues. Intramolecular cycloaddition of the nitrile oxides prepared from these derivatives led to the diastereoselective formation of chiral isoxazolines fused to 10-16-membered oxacycles. The stereochemistry of some of these isoxazolines was established by X-ray diffraction and NOESY analysis.
}, issn = {0022-3263}, doi = {10.1021/jo050689w}, author = {Sengupta, J. and Mukhopadhyay, R. and Bhattacharjya, A. and Bhadbhade, Mohan M. and Bhosekar, Gaurav V.} } @conference { ISI:000227460600141, title = {Synthesis and magnetic properties of polycrystalline Co-doped ZnO}, booktitle = {9th International Conference on Ferrites (ICF-9)}, year = {2005}, note = {9th International Conference on Ferrites (ICF-9), San Francisco, CA, AUG 22-27, 2004}, month = {AUG}, pages = {913-918}, publisher = {Amer Ceram Soc; Japan Soc Powder \& Powder Met; Int Magnet Assoc; Amer Phys Soc}, organization = {Amer Ceram Soc; Japan Soc Powder \& Powder Met; Int Magnet Assoc; Amer Phys Soc}, address = {San Francisco, CA}, abstract = {
Nanocrystalline Zn1-xCoxO powders have been synthesized by a glycine-nitrate (GNP) and modified GNP methods. Ferromagnetism at room temperature and above is observed for the powder samples synthesized by GNP method. The saturation magnetization value at 300 K is obtained as 0.08 and 0.28 emu/g (at 1 T), respectively, for x = 0.05 and 0.1. Ferromagnetic transition occurs at 740 K and 770 K for the respective samples, which is much larger than that the reported in the literature for thin film samples. On the other hand, no ferromagnetism was observed, down to 10 K, for the compounds synthesized by the modified GNP method.
}, isbn = {1-57498-218-4}, author = {Deka, Sasanka and Date, Sadgopal K. and Joy, Pattayil Alias}, editor = {Soohoo, R. F.} } @article { ISI:000229899200012, title = {Synthesis and NMR characterization of SAPO-35 from non-aqueous systems using hexamethyleneimine template}, journal = {Materials Research Bulletin }, volume = {40}, number = {7}, year = {2005}, month = {JUL}, pages = {1157-1165}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
SAPO-35 was synthesized using hexamethyleneimine template in non-aqueous systems. X-ray diffraction and scanning electron micrograph analysis shows the synthesized sample is pure and well crystalline. Presence of four stages (1.6\%, 0.8\%, 7.8\% and 8.4\%) of weight loss is observed by TG/DTA analysis. FT-IR analysis in the framework region shows the presence of tetrahedral T-O-T vibrations is similar to the other known aluminophosphate molecular sieves. FT-IR spectrum in the -OH region shows stretching vibrations at 3631, 3604 and 3580 cm(-1) can be assigned to OH groups in bigger cages near S6R, in bigger cages near D6R and those actually confined inside the D6R, respectively. The spectra for the as-synthesized sample show a single symmetrical Al-27 MAS NMR line at delta = 36.26 indicating the presence of a single tetrahedral aluminium species. Where as Si-29 and P-31 MAS NMR shows the presence of two peaks in both at (-89.9 and -95.15 ppm) and (-34.01 and -40.45 ppm) due to the Si substitution of P present in two different locations in double 6 ring (D6R) and in single 6 ring (S6R). Al-27 3Q-MAS NMR shows two peaks for environmentally different tetrahedral aluminium atoms. This is the first time we are showing such a fact which is not observable using ordinary MAS NMR. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {XRD}, issn = {0025-5408}, doi = {10.1016/j,materresbull.2005.03.008}, author = {Venkatathri, N} } @article { ISI:000234350400019, title = {Synthesis and swelling behaviour of hydrophobically modified responsive polymers in dilute aqueous solutions}, journal = {Polymer}, volume = {46}, number = {26}, year = {2005}, month = {DEC}, pages = {12190-12199}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
New series of associating polymers were synthesised in order to investigate opposite behaviours of hydrophobically modified water-soluble polymers and thermoresponsive water-soluble polymers carrying LCST stickers. On the basis of a poly(acrylic acid) backbone, amino-terminated poly(N-isopropylacrylamide), poly(ethylene oxide-co-propylene oxide) and/or dodecyl chains were grafted following a reaction of condensation activated by carbodiimide. Two homologous series of well-defined single grafted and double grafted copolymers were obtained, with double grafted chains containing both C12 and LCST grafts. The dilute solution properties of these copolymers were carefully studied by capillary viscometry. At low salt concentration and below the LCST of the grafts, the swelling properties of macromolecular chains are controlled either by intramolecular associations between hydrophobes, excluded volume effect exerted by hydrophilic grafts or by a balance between these opposite interactions. The deswelling of macromolecular chains, induced by hydrophobic interactions, is amplified at higher ionic strength and more particularly above the transition temperature of the side chains. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {associating polymers, poly(acrylic acid), viscometry}, issn = {0032-3861}, doi = {10.1016/j.polymer.2005.10.140}, author = {Iyer, N. P. and Hourdet, Dominique and Badiger, Manohar V. and Chassenieux, Christophe and Perrin, P. and Wadgaonkar, P.} } @article { ISI:000232712200011, title = {Synthesis, characterization and catalytic activity of Mn(III)- and Co(II)-salen complexes immobilized mesoporous alumina}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {241}, number = {1-2}, year = {2005}, month = {NOV}, pages = {79-87}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Mn(III) and Co(II)-schiff base complexes were immobilized over mesoporous alumina through the reaction of mesoporous alumina functionalized 3-aminopropyl triethoxy silane (3-APTES) and salicylic aldehyde via schiff base condensation. The surface properties of the functionalized catalysts were analyzed by a series of characterization techniques like elemental analysis, PXRD, FTIR, N(2) adsorption-desorption, TG-DTG, DR UV-vis, XPS, etc. PXRD and adsorption-desorption analysis shows that the mesostructure of alumina remains intact after various modifications, while spectral technique show the successful anchoring of the neat complexes inside the porous alumina support. The catalytic activity of the functionalized metal-salen complexes examined in the liquid phase oxidation of styrene and cyclohexene shows that the functionalized salen complexes are more active and selective than the corresponding neat metal complexes. Further, the catalyst (Mn-S-NH(2)-MA) was recycled three times in the oxidation of styrene and no major change in the conversion and selectivity is observed, which shows that the immobilized metal-salen complexes are stable under the present reaction conditions. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Immobilization, Mesoporous alumina, Oxidation, Schiff base complexes}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.07.005}, author = {Chaube, V. D. and Shylesh, S. and Singh, A. P.} } @article { ISI:000233927900005, title = {Synthesis, characterization and catalytic application of Ru-II-ethylenediamine complex - mesoporous silica as heterogeneous catalyst system in chemo-selective hydrogenation of alpha,beta-unsaturated carbonyl compounds}, journal = {Microporous and Mesoporous Materials}, volume = {87}, number = {1}, year = {2005}, month = {DEC}, pages = {33-44}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
An efficient heterogeneous catalyst system for chemo-selective hydrogenation of alpha,beta-unsaturated aldehydes was synthesized, involving anchoring of a Ru-II-phosphine complex on the inner surfaces of organo-functionalized (propylamine and propylethylenediamine) mesoporous MCM-41 and MCM-48 materials. Powder XRD, SEM and TEM experiments reveal highly ordered hexagonal and cubic patterns of the organically modified MCM-41 and MCM-48 materials, respectively, even after incorporation of Ru complexes. Moreover, the integrity of the Ru complex was retained after anchoring into the mesoporous hosts, which was supported by FTIR, P-31 CP MAS NMR and XPS analyses. This heterogeneous catalyst shows promising activity and chemo-selectivity towards hydrogenation of carbonyl groups in alpha,beta-unsaturated aldehydes. The effects of reaction temperature, reaction time and hydrogen pressure on the activity and selectivity were studied in detail. The anchored solid catalysts can be recycled effectively and reused several times without any loss in activity and selectivity. Although, the initial activity of the same Ru complex when grafted onto the organically modified surfaces of fumed silica is comparable to corresponding MCM41/MCM-48 catalysts, the activity and chemo-selectivity significantly decrease during recycle of the catalyst due to leaching. (c) 2005 Elsevier Inc. All rights reserved.
}, keywords = {chemo-selective, heterogeneous catalysis, Heterogenization, Hydrogenation, mesoporous materials, organo-functionalization, Ru-II-ethylenediamine complex, unsaturated aldehyde}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2005.06.042}, author = {Ghosh, Anirban and Kumar, R} } @article { ISI:000228779100008, title = {Synthesis, characterization and catalytic potentials of polymer anchored copper(II), oxovanadium(IV) and dioxomolybdenum(VI) complexes of 2-(alpha-hydroxymethyl)benzimidazole}, journal = {Reactive \& Functional Polymers}, volume = {63}, number = {1}, year = {2005}, month = {MAR}, pages = {71-83}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{2-(alpha-Hydroxymethyl)benzimidazole (Hhmbmz) has been covalently anchored to chloromethylated polystyrene cross-linked with 5\% divinylbenzene. This chelating resin reacts with cupric acetate, vanadyl sulphate and [MoO(2)-(acac)(2)] (Hacac = acetylacetone) in presence of Hhmbmz to give complexes PS-[Cu(hmbmz)(2)], PS-[VO(hmbmz)(2)] and PS-[MoO(2)(hmbmz)(2)] (where
}, keywords = {2-(alpha-hydroxymethyl)benzimidazole, oxidation of styrene and ethyl benzene, oxidative bromination of salicylaldehyde, polymer anchored-complexes}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2005.02.008}, author = {Maurya, Mannar R. and Sikarwar, S. and Joseph, Trissa and Manikandan, Palanichamy and Halligudi, Shivappa B.} } @article { ISI:000227514200002, title = {Synthesis, characterization and catalytic properties of hexagonal mesoporous vanadium aluminophosphate molecular sieves}, journal = {Catalysis Communications}, volume = {6}, number = {3}, year = {2005}, month = {MAR}, pages = {177-183}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Novel vanadium containing hexagonal mesoporous aluminophosphate molecular sieve (VHMA) have been synthesized. XRD and TEM analysis confirm the phase purity of the synthesized samples. FT-IR analysis suggests the incorporation of V4+ in the aluminophosphate framework. ESR, UV-Vis spectroscopic techniques and cyclic voltammetric studies confirm the incorporation of vanadium and reveal its presence of tetrahedral and square pyramidal environments in the as-synthesized samples. Cyclic voltammetry reveals the presence of two redox couples in VHMA. This catalyst is found to be a good oxidation catalyst. (C) 2005 Elsevier B.V. All rights reserved.
}, issn = {1566-7367}, doi = {10.1016/j.catcom.2004.12.005}, author = {Venkatathri, N and Srivastava, R} } @article {42599, title = {Synthesis, characterization, and hyperpolarizability measurements of main-chain azobenzene molecules}, journal = {Journal of Polymer Science Part A: Polymer Chemistry}, volume = {43}, year = {2005}, month = {AUG}, pages = {4455{\textendash}4468}, type = {Article}, abstract = {
A series of new AB type azobenzene monomers based on various substituted phenols and higher order fused/extended aromatic rings were synthesized and their hyperpolarizability tensor β determined by hyper-Rayleigh scattering (HRS) measurement in methanol. The electron donor ([BOND]OH) and acceptor units ([BOND]COOH) were kept constant in the series, but the effective conjugation length was varied by varying the number and position of substituents as well as the number of aromatic rings. The effect of substitution of the phenolic ring on the β value was investigated and it was found to range from 15 {\texttimes} 10-30 to 42 {\texttimes} 10-30 esu. The effect of intramolecular hydrogen bonding on the nonlinear optical (NLO) property was also examined. The nonlinearity was in the following order of phenol derivative: α-naphthol \> phenyl phenol \> 2,6-dimethyl phenol \> o-cresol \> cardanol \> phenol \> β-naphthol. The unusually low values for the β-naphthol-based chromophore compared with its isomer (α-naphthol) could be rationalized based on hydrogen bonding of the o-hydroxyl group with the β nitrogen of the azo bridge. These azobenzene NLO chromophoric monomers were polymerized to form main-chain polymers with a head to tail structure. The polymers had high thermal stability and rather low solubility in common organic solvents. {\textcopyright} 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 4455{\textendash}4468, 2005
}, doi = {10.1002/pola.20922}, author = {Smitha, P. and Asha, S. K. and Pillai, C. K. S.} } @article { ISI:000228301200003, title = {Synthesis, characterization, and performance evaluation of novel stabilized TDI-based polyurethane coatings under accelerated weathering}, journal = {Journal of Vinyl \& Additive Technology}, volume = {11}, number = {1}, year = {2005}, month = {MAR}, pages = {13-20}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Some toluene dilsocyanate (TDI)-based polyurethane resins (PURs) for coating applications were synthesized with castor oil and their performance was estimated under accelerated UV weathering with and without a novel UV absorber. Changes in physical properties, chemical structure, and color of the samples were monitored by mechanical property testing, FTIR spectroscopy, and colorimetry, respectively. A stable polyurethane coating was achieved at 0.5\% concentration of additive in the host matrix. Mechanical properties were also retained as in the pristine PUR after mixing. Commercial Tinuvin P and benzotriazole-based novel UV absorbers were found to improve the photoresistance of the PUR coating, and the highest efficiency of the novel UV absorber against weathering was estimated at 0.5 wt\% concentration.(c) 2005 Society of Plastics Engineers.
}, issn = {1083-5601}, doi = {10.1002/vnl.20032}, author = {Kumar, A. P. and Reddy, K. R. and Rana, S. and Lonkar, Sunil P. and Raut, K. G. and Singh, R. P.} } @article { ISI:000231359100007, title = {Synthesis, characterization, and performance evaluation of polymeric HALS in ethylene-propylene-diene terpolymer (EPDM)}, journal = {Journal of Macromolecular Science, Part A: Pure and Applied Chemistry }, volume = {A42}, number = {8}, year = {2005}, month = {AUG}, pages = {1037-1046}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A polymeric hindered amine light stabilizer (HALS), wherein the hindered amine functionality was attached to the maleic anhydride graft ethylene-propylene-diene terpolymer (EPDM) was synthesized. This involves photoinduced grafting of maleic anhydride groups on unsaturated sites of EPDM, followed by incorporation of amino terminated HALS. The grafting and functionalization reactions were characterized by FTIR and C-13 NMR spectroscopy. The surface changes upon degradation are studied by SEM. The photostabilizing efficiency of this polymeric HALS was studied and compared with conventional HALS under accelerated weathering conditions. The HALS grafted EPDM showed significantly improved photostabilizing efficiency.
}, keywords = {EPDM, light induced grafting, Photostabilization, polymeric HALS}, issn = {1060-1325}, doi = {10.1081/MA-200065905}, author = {Lonkar, Sunil P. and Rana, S. and Singh, R. P. and Lacoste, Jacques and Gardette, Jean Luc and Jestin, F. and Brocord, E.} } @article { ISI:000226532100001, title = {Synthesis, characterization and photo catalytic degradation of aqueous eosin over Cr containing Ti/MCM-41 and SiO2-TiO2 catalysts using visible light}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {226}, number = {2}, year = {2005}, month = {FEB}, pages = {149-154}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Two series of samples were prepared namely Cr-Ti/MCM-41 and Cr/SiO2-TiO2 keeping Si/Ti mole ratio same, with different Cr loading. The physico-chemical properties of the samples were characterized by different analytical techniques such as XRD, FTIR, TEM, low temperature N-2 sorption, and UV-vis diffused reflectance spectroscopy. The impregnated TiO2 was in anatase form. The crystallite size was determined from Scherrer equation as well as by TEM. There is a difference between the shapes of nitrogen adsorption isotherms with and without Cr-loaded Ti/MCM-41 samples. The rate of nitrogen adsorption was found to increase with decrease in Cr content at lower P/P-0 for Cr-Ti/MCM-41 samples due to the blocking of the pores with Cr. All MCM-41 samples exhibited pore sizes from 24 nm to 32 nm. UV-vis diffused reflectance spectra of all Cr-loaded samples showed red shift of their absorption edges. Photo degradation of eosin dye was studied using visible light. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Cr-Ti/MCM-41, Cr/SiO2-TiO2, eosin, photo degradation, visible light}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.09.055}, author = {Awate, S. V. and Jacob, Nalini E. and Deshpande, Suvarna S. and Gaydhankar, T. R. and Belhekar, Anagha A.} } @article { ISI:000233846100021, title = {Synthesis, characterization, electronic structure, and photocatalytic activity of nitrogen-doped TiO2 nanocatalyst}, journal = {Chemistry of Materials}, volume = {17}, number = {25}, year = {2005}, month = {DEC}, pages = {6349-6353}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Nitrogen-doped TiO2 (N-TiO2)) nanocatalyst with spherical shape and homogeneous size has been synthesized through a chemical method using TiCl3 as precursor. The light absorption onset shifts from 380 nm on pure TiO2 to the visible region at 550 nm with N-TiO2. A clear decrease in the band gap and the nitrogen 2p states on the top of the valence band on N-TiO2 (compared to TiO2) is deduced from the optical absorption spectroscopy results. The chemical nature of N has been evolved as N-Ti-O in the anatase TiO2 lattice as identified by X-ray photoelectron spectroscopy (XPS). Photocatalytic decomposition of methylene blue has been carried out both in the UV and in the visible region and N-TiO2 shows higher activity than the Degussa P25 TiO2 photocatalyst in the visible region.
}, issn = {0897-4756}, doi = {10.1021/cm052047v}, author = {Sathish, M and Viswanathan, B and Viswanath, RP and Gopinath, Chinnakonda S.} } @article { ISI:000231712000007, title = {Synthesis of bile acid dimers linked with 1,2,3-triazole ring at C-3, C-11, and C-24 positions}, journal = {Synlett}, number = {14}, year = {2005}, month = {SEP}, pages = {2155-2158}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
1,3-Dipolar cycloaddition of propargyl ester of a bile acid to an azide group attached at different positions of another bile acid gave three new 1,2,3-triazole-containing dimeric analogues in excellent yields.
}, keywords = {1, 2, 3-dipolar cycloaddition, 3-Triazole, Bile acids, Click chemistry, steroidal dimers}, issn = {0936-5214}, doi = {10.1055/s-2005-872223}, author = {Aher, Nilkanth G. and Pore, VS} } @article { ISI:000230275100032, title = {Synthesis of bismuth oxide nanoparticles at 100 degrees C}, journal = {Materials Letters}, volume = {59}, number = {19-20}, year = {2005}, month = {AUG}, pages = {2523-2525}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple gel to crystal conversion route has been followed for the preparation of ultrafine Bi2O3 particles at 80-100 degrees C under refluxing conditions. Freshly prepared bismuth hydroxide gel is allowed to crystallize under refluxing and stirring conditions for 6-12 h. Formation of nanocrystallites of Bi2O3 is confirmed by X-ray diffraction (XRD) study. The thermal decomposition of bismuth hydroxide yields Bi2O3 only at 400 degrees C. This shows the advantage of the present method. Transmission electron microscope (TEM) investigations revealed that the average particle size is 50 nm for these oven-dried powders. (c) 2005 Elsevier B.V All rights reserved.
}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.03.037}, author = {Patil, M. M. and Deshpande, V. V. and Dhage, S. R. and Ravi, V.} } @article { ISI:000230877900020, title = {Synthesis of bismuth oxide nanoparticles by citrate gel method}, journal = {Ceramics International}, volume = {31}, number = {6}, year = {2005}, month = {JAN}, pages = {889-891}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A mixture of bismuth nitrate and citric acid solution is taken in 1: 1 molar ratio and heated on hot water bath. A gel is formed on evaporation of the water, which on decomposition at 400 degrees C produces nanocrystalline Bi2O3 particles. Formation of nanocrystallites of Bi2O3 is confirmed by X-ray diffraction (XRD) study. Transmission electron microscope (TEM) investigations revealed that the average particle size is 50 nm for these powders. (c) 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {Electron microscopy, powders : chemical preparation, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2004.09.002}, author = {Anilkumar, Mettu and Pasricha, R. and Ravi, V.} } @article { ISI:000227603500020, title = {Synthesis of bismuth oxide nanoparticles using bismuth nitrate and urea}, journal = {Ceramics International}, volume = {31}, number = {3}, year = {2005}, month = {JAN}, pages = {495-497}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A mixture of bismuth nitrate and urea is taken in 1:5 molar ratio and heated on hot water bath. A precipitate is formed on evaporation of the water which on decomposition at 400 degrees C produces nanocrystalline Bi2O3 particles. Formation of nano crystallites of Bi2O3 is confirmed by X-ray diffraction (XRD) study. Transmission electron microscopy (TEM) investigations revealed for these powders an average particle size of 50 nm. (c) 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {calcination, Electron microscopy, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2004.006.013}, author = {Jha, Ratnesh Kumar and Pasricha, R. and Ravi, V.} } @article { ISI:000225588700025, title = {Synthesis of bismuth titanate by the urea method}, journal = {Materials Letters}, volume = {59}, number = {4}, year = {2005}, month = {FEB}, pages = {514-516}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple urea precipitation route was adopted for the preparation of bismuth titanate (Bi4Ti3O12) powders. Stoichiometric quantities of BiCl3 and TiOCl2 were mixed with the required amount of urea (the ratio of total metal cations to urea is five), and the mixture was heated on a water bath. This leads to the formation of precipitate, which was decomposed at 973 K. The formation of bismuth titanate was observed on calcining powders at 973 K by X-ray diffraction studies. The average particle size is found to be 100 nm by microscopy. The room temperature dielectric constant is found to be 150 at 1 kHz. The hysteresis loop parameters were also obtained by home-built Sawer-Tower circuit. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Chemical synthesis, dielectric properties, ferroelectricity, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.10.038}, author = {Anilkumar, Mettu and Dhage, S. R. and Ravi, V.} } @article { ISI:000228575900018, title = {Synthesis of (+)-camptothecin}, journal = {Arkivoc}, volume = {2005}, number = {3}, year = {2005}, month = {JAN}, pages = {165-169}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
A synthesis of optically pure camptothecin was achieved in 4 steps from previously reported aldehyde employing Sharpless asymmetric dihydroxylation as the key step.
}, keywords = {Anticancer, camptothecin, sharpless asymmetric dihydroxylation}, doi = {10.3998/ark.5550190.0006.318}, author = {Chavan, Subhash P. and Venkatraman, M. S.} } @article { ISI:000233914500027, title = {Synthesis of CdS and alloyed CdMnS nanocrystals using aqueous foams}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {5}, number = {12}, year = {2005}, month = {DEC}, pages = {2144-2154}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Certain surfactant-stabilized aqueous foams provide a potentially efficient and simple chemical route for the synthesis of various nanomaterials with controllable structure, size, and shape. In the present work, a one-step process for the synthesis of CdS and Cdl(1-x)Mn(x)S (0 \< x \< 10) nanocrystals has been described. Aqueous CdCl2 and the aerosol-OT solutions are homogeneously mixed together and thereafter, nitrogen is bubbled through this solution to produce stable aqueous foam. After drainage of the foam, the freestanding dry foam consisting of cadmium cations electrostatically complexed with the anionic aerosol-OT molecules at the liquid-gas interface is treated with H2S vapor. The foam turns yellowish-orange and collapses, in the process yielding CdS nanoclusters of variable morphology. This morphology variation is appropriately attributed to growth of the CdS as well as alloyed Cd1-xMnxS nanoparticles in different regions of the foam contributing to the varying topological structure. Optical absorption spectra of both CdS and Cd1-xMnxS nanoparticles clearly show a well-defined exciton absorption feature around 450 nm due to quantum confinement effects. The interesting band edge emission characteristics of these AOT-capped CdS and Cd1-xMnxS nanoparticles produced in the foam are discussed with respect to their size and shape. Particular interest in the present novel aqueous foam approach arises due to the fact that the cubic zincblende CdS and alloyed Cd1-xMnxS nanocrystals could easily be obtained even under ambient experimental conditions itself.
}, keywords = {absorption and fluorescence, aerosol-OT, alloyed CdMnS nanocrystals, aqueous foams, CdS nanoclusters, quantum confinement, zincblende}, issn = {1533-4880}, doi = {10.1166/jnn.2005.401}, author = {Kumar, P. Senthil and Kasture, Manasi and Raghavan, U and Pasricha, R and Sastry, M} } @article { ISI:000225856600034, title = {Synthesis of Ce0.75Zr0.25O2 at 100 degrees C}, journal = {Ceramics International}, volume = {31}, number = {1}, year = {2005}, month = {JAN}, pages = {211-213}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A simple gel to crystal conversion route has been used for the preparation of Ce0.75Zr0.25O2 phase at 80-100degreesC under refluxing conditions. Freshly prepared metal hydroxides gel from cerium and zirconium salt solution is allowed to crystallize under refluxing and stirring conditions for 4-10 h. Formation of nano crystallites of Ce0.75Zr0.25O2 is confirmed by X-ray diffraction (XRD). Transmission electron microscopy (TEM) investigations revealed the average particle size of these powders to be 5 nm. (C) 2004 Elsevier Ltd and Techna S.r.l. All rights reserved.
}, keywords = {CeO2, chemical preparation, Electron microscopy, powders, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2004.04.009}, author = {Dhage, S. R. and Gaikwad, S. R. and Muthukumar, P. and Ravi, V.} } @article { ISI:000232347900014, title = {Synthesis of chromium substituted nano particles of cobalt zinc ferrites by coprecipitation}, journal = {Materials Letters}, volume = {59}, number = {27}, year = {2005}, month = {NOV}, pages = {3402-3405}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nano particles of chromium substituted cobalt zinc ferrite have been synthesized by a chemical co-precipitation method. X-ray diffraction studies of the nano particles of CrxCo0.5-xZn0.5Fe2O4 (x = 0.1 to 0.5) heat-treated at 300 degrees C show that the particle sizes are in the range of 2 to 7 nm. Room temperature Fe-57 Mossbauer spectra of all the samples show only two doublets, confirming the presence of superparamagnetic relaxation in the nano particles. An exponential decrease in the superparamagnetic blocking temperature, with increasing chromium concentration, is observed for these samples. (C) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Co0.5Zn0.5Fe2O4, Mossbauer spectroscopy, nano materials}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.06.004}, author = {Sharma, R. K. and Suwalka, O. and Lakshmi, N. and Venugopalan, K. and Banerjee, Abhik and Joy, Pattayil Alias} } @article { ISI:000227267300021, title = {Synthesis of cis bis-beta-lactams via Staudinger cycloaddition reaction using C-2-symmetric 1,2-diamines}, journal = {Tetrahedron}, volume = {61}, number = {9}, year = {2005}, month = {FEB}, pages = {2441-2451}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient stereoselective synthesis of bis-beta-lactams via cycloaddition reaction (Staudinger reaction) of ketenes with bisimines derived from C-2-symmetric 1, 2-diamines is described. The reaction provided diastereomeric mixture of meso and C-2-symmetric cis-bis-beta-lactams with higher selectivity for meso-bis-beta-lactams. (C) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {imines, ketenes, Staudinger cyclo-addition reaction, stereoselective synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.031}, author = {Shaikh, A. L. and Puranik, Vedavati G. and Deshmukh, A. R. A. S.} } @article { ISI:000233209400079, title = {Synthesis of eupomatilone-6 and assignment of its absolute configuration}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {23}, year = {2005}, month = {NOV}, pages = {9658-9661}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
[GRAPHICS] The Zn-mediated Barbier reaction of the biarylaldehyde 8 with crotyl bromide followed by hydroboration and oxidation provided the gamma-butyrolactones 4 and 5. The stereoselective installation of methyl group at C-3 by using LiHMDS and MeI completed the synthesis of racemic eupomatilone-6 (2) and its diastereomer 3. The spectroscopic data of 2 was in fall agreement with reported spectra of natural product, thus confirming the revised relative configuration of eupomatilone-6. Similarly, an optically active (3R,4R,5S)-isomer of eupomatilone-6 (23) was prepared in which the aldol reaction with thiazolidinethione as a chiral auxiliary was employed as a key step. On the basis of the spectroscopic data and optical rotation values of 23, the absolute configuration of eupomatilone-6 was proposed.
}, issn = {0022-3263}, doi = {10.1021/jo0516234}, author = {Gurjar, Mukund K. and Karumudi, Bhargava and Ramana, C. V.} } @article { ISI:000226803200008, title = {Synthesis of fine particles of ZnO at 100 degrees C}, journal = {Materials Letters}, volume = {59}, number = {7}, year = {2005}, month = {MAR}, pages = {779-781}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple gel to crystal conversion route has been followed for the preparation of fine ZnO at 80-100 degreesC under refluxing conditions. Freshly prepared zinc hydroxide gel is allowed to crystallize under refluxing and stirring conditions for 4-6 It. Formation of fine crystallites of ZnO is confirmed by X-ray diffraction (XRD) study. Transmission electron microscope (TEM) investigations revealed that the average particle size is 100 nm for these powders. (C) 2004 Elsevier B.V All rights reserved.
}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.11.019}, author = {Dhage, S. R. and Pasricha, R. and Ravi, V.} } @article { ISI:000230375200016, title = {Synthesis of fine PbE (E = S, Se) powder from direct in situ reduction of sulphur or selenium}, journal = {Materials Chemistry and Physics}, volume = {93}, number = {1}, year = {2005}, month = {SEP}, pages = {91-94}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Lead sulphide and lead selenide have been prepared for the first time, by in situ reduction of elemental S or Se by using aqueous DMF or aqueous SFS as reducing agents and their reaction with lead acetate. The grayish-black powder has been characterized by powder XRD measurement, XPS and SEM/EDAX analysis. Powder X-ray diffraction pattern revealed that cubic PbE (E = S, Se) is formed with a little impurities of lead in case of PbSe. Slightly broader peaks in XRD measurement suggest small particles diameter in the powder. The particle size by using Scheffer{\textquoteright}s formula is found to be about 100 nm. Peaks due to free lead particles are observed in XPS and EDS (in case of PbSe) analysis and SEM analysis indicates agglomerated particles. (c) 2005 Elsevier B.V All rights reserved.
}, keywords = {Chemical synthesis, electronic materials, reduction, Semiconductor}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.02.025}, author = {Khanna, P. K. and Subbarao, VVVS and Wagh, M. and Jadhav, P. and Patil, K. R.} } @article { ISI:000232129900020, title = {Synthesis of gold nanospheres and nanotriangles by the Turkevich approach}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {5}, number = {10}, year = {2005}, month = {OCT}, pages = {1721-1727}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Gold nanoparticles of triangular morphology possess interesting optical properties with potential application in medicine and infrared absorbing coatings, however, little is known about conditions that favor their growth. In this paper, we have reinvestigated a time-tested recipe for the formation of gold nanospheres by citrate reduction of aqueous gold ions under boiling conditions (Turkevich recipe). Our principle findings are that gold nanotriangle formation is kinetically controlled and is highly favored at low temperatures. Furthermore, the presence of chloride ions from the precursor chloroaurate ions plays a major role in promoting the growth of [111] oriented triangular/truncated triangular particles. The presence of bromide and iodide ions that possess the ability to replace surface-bound chloride ions inhibits triangle formation to varying degrees.
}, keywords = {Crystal growth, Gold, halides, nanospheres, nanotriangles, Temperature effect}, issn = {1533-4880}, doi = {10.1166/jnn.2005.192}, author = {Shankar, S. S. and Bhargava, S. and Sastry, Murali} } @article { ISI:000233775500004, title = {Synthesis of gold, silver and their alloy nanoparticles using bovine serum albumin as foaming and stabilizing agent}, journal = {Journal of Materials Chemistry }, volume = {15}, number = {48}, year = {2005}, month = {OCT}, pages = {5115-5121}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple and convenient method for the synthesis of gold, silver and their alloy nanoparticles in a foam matrix using the protein bovine serum albumin (BSA) is reported. BSA is an excellent foaming agent and, by virtue of its zwitterionic character at the protein isoelectric point, may be used to bind to either cationic silver (Ag+) or anionic gold (AuCl4-) ions in the foam. The metal ions in the foam are thereafter reduced in situ to yield silver and gold nanoparticles. The versatility of an amphoteric foaming agent is further demonstrated by the simultaneous binding of Ag+ and AuCl4- ions with zwitterionic BSA leading to the possibility of obtaining Au-Ag alloy nanoparticles in the foam. The BSA molecules coat and stabilize the nanoparticles thus prepared eliminating the necessity of employing an additional stabilizing agent in the experimental recipe.
}, issn = {0959-9428}, doi = {10.1039/b510398c}, author = {Singh, A. V. and Bandgar, B. M. and Kasture, Manasi and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000230434500007, title = {Synthesis of high silica content silicoaluminophosphate-5 (SAPO-5) from non-aqueous medium using hexamethyleneimine template}, journal = {Journal of Scientific \& Industrial Research}, volume = {64}, number = {7}, year = {2005}, month = {JUL}, pages = {509-514}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
Silicoaluminophosphate-5 (SAPO-5) molecular sieve with up to 2.4 Si atom per unit cell have been synthesized using hexamethyleneimine template in ethylene glycol medium (molar ratio of silica in the reaction gels up to 0.3). Crystallinity and silicon incorporation are confirmed by XRD, XRF, N, sorption study, TG/DTA, SEM. pyridine TPD technique and hydroxyl region FT-IR. These materials with high Si concentration show higher activity for toluene alkylation reaction than samples prepared with up to 0.1 molar ratio of silica in the gel of aqueous media.
}, keywords = {aqueous, FT-IR, hydroxyl region, non-aqueous, SAPO-5, SEM, TG/DTA, XRD}, issn = {0022-4456}, author = {Venkatathri, N} } @article { ISI:000229243800064, title = {Synthesis of hydroxyapatite crystals using amino acid-capped gold nanoparticles as a scaffold}, journal = {Langmuir}, volume = {21}, number = {11}, year = {2005}, month = {MAY}, pages = {5185-5191}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Inorganic composites are of special interest for biomedical applications such as in dental and bone implants wherein the ability to modulate the morphology and size of the inorganic crystals is important. One interesting possibility to control the size of inorganic crystals is to grow them on nanoparticles. We report here the use of surface-modified gold nanoparticles as templates for the growth of hydroxyapatite crystals. Crystal growth is promoted by a monolayer of aspartic acid bound to the surface of the gold nanoparticles; the carboxylate ions in aspartic acid are excellent hinging sites for Ca2+ ions. Isothermal titration calorimetry studies of Ca2+ ion binding with aspartic acid-capped gold nanoparticles indicates that the process is entropically driven and that screening of the negative charge by the metal ions leads to their aggregation. The aggregates of gold nanopartictes are believed to be responsible for assembly of the platelike hydroxyapatite crystals into quasi-spherical superstructures. Control experiments using uncapped gold nanoparticles and pure aspartic acid indicate that the amino acid bound to the nanogold surface plays a key role in inducing and directing hydroxyapatite crystal growth.
}, issn = {0743-7463}, doi = {10.1021/la048541f}, author = {Rautaray, D. and Mandal, Sujata and Sastry, M.} } @article { ISI:000230389700024, title = {Synthesis of linear alkyl benzenes over zirconia-supported 12-molybdophosphoric acid catalysts}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {236}, number = {1-2}, year = {2005}, month = {JUL}, pages = {162-167}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The liquid-phase alkylation of benzene with 1-octene and 1-dodecene was investigated using zirconia-supported 12-molybdophosphoric acid (MPA) as catalyst. The catalysts with different MPA loading (5-25 wt.\% calcined at 700 degrees C) and calcination temperature (15 wt.\% calcined from 500 to 750 degrees C) were prepared by suspending zirconium oxyhydroxide in methanol solution of MPA followed by drying and calcination. These catalysts were characterized by X-ray diffraction, and P-31 MAS NMR spectroscopy measurements. The XRD results indicated that MPA stabilizes the tetragonal phase of zirconia. 3 1 P MAS NMR spectra show that the nature of phosphorous species depend on MPA loading and calcination temperature, and it show the existence of three types of phosphorous species, one is the Keggin unit and the other is the decomposition product of MPA and third one an unidentified species. FTIR pyridine adsorption on 15\% MPA catalyst calcined at 700 degrees C showed the presence both Bronsted and Lewis acidity. Under the reaction conditions of 83 C, benzene/1-olefin molar ratio of 10 (time, 1 h), the most active catalyst, 15\% MPA calcined at 700 C gave more than 90\% olefin conversion with selectivity to 2-phenyl octane, 55\% and 2-phenyl dodecane, 45\%. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {12-molybdophosphoric acid, benzene alkylation, linear alkyl benzene, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.03.033}, author = {Devassy, Biju M. and Lefebvre, F. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000228510500005, title = {Synthesis of nanocrystalline Mn3O4 at 100 degrees C}, journal = {Materials Research Bulletin}, volume = {40}, number = {4}, year = {2005}, month = {APR}, pages = {605-609}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple gel to crystal conversion route has been followed for the preparation of nanocrystalline tetragonal Mn3O4 powders at 80-100 degrees C under refluxing conditions. Freshly prepared manganese hydroxide gel is allowed to crystallize under refluxing and stirring conditions for 4-6 h. Formation of nano crystallites of Mn3O4 is confirmed by X-ray diffraction (XRD) study. Transmission electron microscope (TEM) investigations revealed that the average particle size is 50 nm for these powders. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2005.01.009}, author = {Anilkumar, Mettu and Ravi, V.} } @article { ISI:000228771600009, title = {Synthesis of nanocrystalline rutile}, journal = {Ceramics International}, volume = {31}, number = {4}, year = {2005}, month = {JAN}, pages = {555-557}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Nanocrystalline titanium dioxide (TiO2) in the rutile phase has been obtained by homogeneous precipitation using urea and TiOCl2. A mixture of urea and TiOCl2 is heated on a hot water bath at 65-75 degrees C to precipitate rutile powders. X-ray diffraction (XRD) studies on these oven-dried powders indicated the formation of single-phase rutile. Raman scattering experiments were also performed to confirm the formation of the rutile phase. Transmission electron microscopy (TEM) investigations revealed the average particle size of these powders to be 40 nm. (c) 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {chemical preparation, Electron microscopy, powders, TiO2, X-ray methods}, issn = {0272-8842}, author = {Samuel, V and Pasricha, R and Ravi, V} } @article { ISI:000229484400013, title = {Synthesis of naturally occurring bioactive butyrolactones: maculalactones A-C and nostoclide I}, journal = {Tetrahedron}, volume = {61}, number = {22}, year = {2005}, month = {MAY}, pages = {5297-5302}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Starting from citraconic anhydride (13), a simple multistep (9-10 steps) synthesis of naturally occurring butyrolactones maculalactone A (3), maculalactone B (1), maculalactone C (2) and nostoclide 1 (4) have been described with good overall yields via dibenzylmaleic anhydride (20) and benzylisopropylmaleic anhydride (27). The two anhydrides 20 and 27 were prepared by S(N)2{\textquoteright} coupling reactions of appropriate Grignard reagents with dimethyl bromomethylfumarate (14), LiOH-induced hydrolysis of esters to acids, bromination of carbon-carbon double bond, in situ dehydration followed by dehydrobromination and chemoselective allylic substitution of bromoatom in disubstituted anhydrides 19 and 26 with appropriate Grignard reagents. The NaBH4 reduction of these anhydrides 20 and 27 furnished the desired lactones 21 and 29, respectively. The lactone 21 on Knoevenagel condensation with benzaldehyde, furnished maculalactone B (1), which on isomerization gave maculalactone C (2). Selective catalytic hydrogenation of 1 gave maculalactone A (3). The conversion of lactone 29 to nostoclide 1 (4) is known. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {dimethyl bromomethylfumarate, disubstituted maleic anhydrides, maculalactone A-C, NaBH4 reductions, nostoclide 1, S(N)2 {\textquoteleft} Grignard couplings, synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.03.065}, author = {Kar, Anirban and Gogoi, Sanjib and N. P. Argade} } @article { ISI:000231000700013, title = {Synthesis of poly(1-hexene)s end-functionalized with phenols}, journal = {Polymer International}, volume = {54}, number = {9}, year = {2005}, month = {SEP}, pages = {1310-1313}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
Electrophilic alkylations of phenol/2,6-dimethylphenol were performed with vinylidene-terminated poly(1-hexene)s using BF3-OEt2 catalyst. Vinylidene-terminated poly(1-hexene)s with M. varying from 400 to 10000 were prepared by bulk polymerization of 1-hexene at 50 to -20 degrees C using Cp2ZrCl2/MAO catalysts. The phenol/2,6-dimethylphenol-terminated poly(1-hexene)s was characterized by NMR (H-1, C-13), UV, IR and vapor phase osmometer (VPO). The isomer distribution (ortho, para and ortholpara) was determined by P-13 NMR using a phosphitylating reagent, namely 2-chloro-1,3,2-dioxaphospholane. The number-average degree of functionality (F-n) \> 0.9 with \> 95\% para selectivity could be achieved using low-molecular-weight oligomers of poly(1-hexene)s. (c) 2005 Society of Chemical Industry.
}, keywords = {Alkylation, chain-end functionalization, functional poly(olefin)s, metallocene catalysts}, issn = {0959-8103}, doi = {10.1002/pi.1848}, author = {Yanjarappa, Mallinamadugu J. and Sivaram, Swaminathan} } @article { ISI:000230338900015, title = {Synthesis of rutile from ATO and stearic acid}, journal = {Materials Letters}, volume = {59}, number = {21}, year = {2005}, month = {SEP}, pages = {2673-2675}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nanocrystalline titanium dioxide in the rutile phase has been obtained from the solid state reaction between ammonium titanyl oxalate (ATO) and stearic acid at 400 degrees C in air. The fine powders of ATO and stearic acid are mixed well using acetone in an agate mortar and pestle for 2 h. This mixture (weight ratio of ATO to stearic acid \> 5) on heating at 400 degrees C produces rutile powders. For the ratios of ATO to stearic acid \< 5, a mixture of anatase and rutile phases is obtained. Pure ATO yields anatase phase on decomposition at 400 degrees C. These powders were characterized by X-ray diffraction (XRD), BET surface area measurements and transmission electron microscopy (TEM) studies. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray techniques}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.04.016}, author = {Patil, M. M. and Deshpande, V. V. and Deshpande, S. B. and Samuel, V. and Ravi, V.} } @article {43221, title = {Synthesis of small cyclic peptides constrained with 3-(3-aminomethylphenyl)propionic acid linkers using free radical-mediated macrocyclization}, journal = {Tetrahedron Letters}, volume = {46}, year = {2005}, month = {AUG}, pages = {5207-5210}, abstract = {In this letter, we report that small peptides (di- and tri-) having a 3-bromobenzyl group at the C-termini and an acryloyl group at the N-termini undergo an efficient Bu3SnH-AlBN mediated intramolecular free radical cyclization to afford cyclic peptides in good yields. We also propose that these cyclizations are occurring via a pre-organized acyclic structure dictated by a reverse turn (gamma/beta-turn). (c) 2005 Published by Elsevier Ltd.}, doi = {10.1016/j.tetlet.2005.05.115}, author = {Balraju, V. and Reddy, D. Srinivasa and Periasamy, M. and Iqbal, Javed} } @article { ISI:000231592300006, title = {Synthesis of Sr0.5Ba0.5Nb2O6 by citrate gel method}, journal = {Materials Chemistry and Physics}, volume = {94}, number = {1}, year = {2005}, month = {NOV}, pages = {34-36}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A gel was formed when an aqueous solution of BaCl2, SrCl2, NbF5 and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 700 degrees C yielded the nanocrystallites of ternary oxide, Sr0.5Ba0.5Nb2O6 (SBN) as confirmed by X-ray diffraction study (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). The room temperature dielectric constant at I kHz is 1000. The ferroelectric hysteresis loop parameters of these samples were also studied by a home built Sawyer-Tower circuit. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Electron microscopy, ferroelectricity, Oxides}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.04.003}, author = {Pasricha, R and Ravi, V} } @article { ISI:000227164000044, title = {Synthesis of Sr0.5Ba0.5Nb2O6 by urea method}, journal = {Materials Letters}, volume = {59}, number = {8-9}, year = {2005}, month = {APR}, pages = {1053-1055}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A precipitate was formed when an aqueous solution of SrCl2, BaCl2, NbF5 and urea in stoichiometric ratio (total metal cations to urea ratio is 5) is heated on a water bath.. This precipitate on decomposition at 750 degreesC yielded the nanocrystallites of ternary oxide, Sr0.5Ba0.5Nb2O6 (SBN) as confirmed by X-ray diffraction study (XRD). This is much lower temperature as compared to that prepared by traditional solid state method (1000 degreesC as reported for the formation of SBN ceramics. Transmission electron microscope (TEM) investigations revealed that the average particle size is 100 nm for the calcined powders. The room temperature dielectric constant at 1 kHz is found to be 1050. The ferroelectric hysteresis loop parameters of these samples were also studied. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Electron microscopy, ferroelectricity, Oxides}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.12.003}, author = {Dhage, S. R. and Pasricha, R. and Ravi, V.} } @article { ISI:000231253000015, title = {Synthesis of substituted tetrahydro-1H-xanthen-1-ones and xanthenes}, journal = {Journal of Chemical Research }, number = {7}, year = {2005}, month = {JUL}, pages = {454-456}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {
A short and an efficient methodology for the synthesis of substituted tetrahydro-1H-1-xanthenones and xanthenes is described.
}, keywords = {balanol, diarylmethanes, tetrahydro-1H-xanthen-1-ones, Xanthenes}, issn = {0308-2342}, author = {Patil, M. L. and Borate, Hanumant B.} } @article { ISI:000227107500022, title = {Synthesis, structure, electrochemistry and ROMP-activity of new ferrocenyl analog of Grubbs{\textquoteright} metathesis catalyst}, journal = {Journal of Organometallic Chemistry}, volume = {690}, number = {4}, year = {2005}, month = {FEB}, pages = {1018-1027}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Treatment of [(PCy3)(2)Cl2Ru=CH-Ph] (1) with vinylferrocene 1 and 1-ferrocenyl-1,3-butadiene 2 yielded solid products. These new complexes were characterized by H-1 NMR, P-31 NMR and C-13 NMR spectroscopy. X-ray crystal structures of both the complexes have been solved. The crystal structure of II confirmed the assigned structure and revealed existence of two sets of intermolecular C-H-Cl(M) type interactions, viz. (Ru)Cl-H-C(ferrocene) and (Ru)Cl-H-CHCl2. The air-stable, dark solid II is all efficient catalyst for ring-opening metathesis polymerization (ROMP) of cyclopentene, norbornene and cycloocta-1,5-diene. Electrochemical behavior of the complexes clearly reflects electronic communication between two metal centers. (C) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Electrochemistry, ferrocene, Metathesis, non-covalent interactions, ring-opening metathesis polymerization, ruthenium carbene}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2004.11.012}, author = {Maishal, T. K. and Mondal, Biplab and Puranik, Vedavati G. and Wadgaonkar, P. P. and Lahiri, Goutam Kumar and Sarkar, A.} } @article { ISI:000227411400025, title = {Synthetic studies toward tricyclic cembranoids: a modular approach for the construction of the tricyclic framework of eunicin}, journal = {Tetrahedron Letters}, volume = {46}, number = {11}, year = {2005}, month = {MAR}, pages = {1881-1884}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The synthesis of a sugar derived allene and its intramolecular silver mediated etherification followed by ring closing metathesis has been explored for building the tricyclic framework of eunicin. (C) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Allene, Carbohydrate, cembranoid, eunicin, Ring closing metathesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.01.094}, author = {Gurjar, MK and Nayak, S and Ramana, CV} } @article { ISI:000227108800014, title = {Temperature-induced phase transitions of the ordered superlattice assembly of Au nanoclusters}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {7}, year = {2005}, month = {FEB}, pages = {2552-2558}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Superlattices of monolayer protected metallic and semiconducting nanoclusters have attracted significant attention due to their promising applications in nanotechnology. In this paper, we investigate the effect of temperature on the ordered superlattice structure of relatively larger sized An nanoclusters passivated with dodecanethiol [ca. Au-1415(RS)(328)] with the help of in situ temperature controlled X-ray diffraction (XRD) and infrared spectroscopy (IR) in conjunction with thermogravimetric (TG) and differential scanning calorimetric (DSC) analysis. In brief, monolayer protected Au nanoclusters (AuMPC) were prepared by a modified Brust synthesis technique, where dodecanethiol itself acts as both phase transfer and simultaneous capping agent during the reduction process, generating an average particle size of 3.72+/-0.4 nm after repeated solvent extraction and careful fractionation experiments. These particles are characterized with the help of UV-vis, transmission electron microscopic (TEM), IR, and NMR techniques, where effective capping as well as the superlattice formation on the TEM grid is evident from the combined analysis of these results. In situ low-angle XRD analysis shows that the particles undergo an irreversible phase transition in the temperature range of 100-115degreesC, which is also reflected in the data from in situ IR analysis. However, the DSC analysis does not account for this phase transition, although the reversible phase transition due to the alkyl chain dynamics is in good agreement with the previously reported results. These results indicate the formation of temperature-induced, diffusion-limited phase transition involving nonequilibrium fractal structures, which is in good agreement with the previous available theoretical studies. The determination of the temperature window for the stability of these ordered assemblies would be used to understand the effect of thermal stress for device applications.
}, issn = {1520-6106}, doi = {10.1021/jp045709x}, author = {Chaki, N. K. and Vijayamohanan, K. P.} } @article { ISI:000230297800006, title = {tert-Butylation of p-cresol over WOx/ZrO2 solid acid catalysts}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {235}, number = {1-2}, year = {2005}, month = {JUL}, pages = {44-51}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The tert-butylation of p-cresol with tert-butanol was carried out over WO3/ZrO2 catalysts under flow conditions, The catalysts were prepared by wet impregnation method using zirconium oxyhydroxide and ammonium metatungstate. Catalysts with different WO3 loading (5-30 wt.\%) were prepared and calcined at 800 degrees C and catalyst with 15\% WO,, was calcined from 600 to 900 C. The catalysts were characterized by surface area, XRD, FTIR and TEM. The catalyst 15\% WO3/ZrO2 calcined at 800 degrees C found to be the most active in the reaction. The effect of temperature, space velocity and molar ratio of the reactants on the conversion of p-cresol and products selectivities were studied. Under the optimized reaction conditions of 130 degrees C, tert-butanol/p-cresol molar ratio of 3 and flow rate of 10 ml h(-1). p-cresol conversion was 69.8\% with selectivity to 2-tert-butyl-p-cresol 92.4\%, 2,6-di-tert-butyl-p-cresol 6.3\% and p-cresol tert-butyl ether 1.3\%. The catalytic activity is compared with sulfated zirconia, USY, H beta zeolites and montmorillonite K-10 under the optimized reaction conditions The activity of sulfated zirconia is lower than that of 15\% WO3/ZrO2 catalyst calcined at 800 C and other catalysts showed very low activity, (c) 2005 Elsevier B.V.. All rights reserved.
}, keywords = {p-Cresol, tert-butylation, tungsten oxide, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.03.019}, author = {Sarish, S. and Devassy, Biju M. and Halligudi, Shivaraj B.} } @article { ISI:000226847200018, title = {Tetrazine derived mononuclear Ru-II(acac)(2)(L)(1), [Ru-II(bpy)(2)(L)](ClO4)(2)(2) and [Ru-II(bpy)(L)(2)](ClO4)(2)(3) (L=3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine, acac = acetylacetonate, bpy=2,2 {\textquoteright}-bipyridine): syntheses, structures, spectra}, journal = {Polyhedron}, volume = {24}, number = {2}, year = {2005}, month = {JAN}, pages = {333-342}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Mononuclear ruthenium complexes of tetrazine derived L, Ru-II(acac)(2)(L) (1), [Ru-II(bpy)(2)(L)](ClO4)(2) (2) and [Ru-II(bpy)(L)(2)](ClO4)2 (3) (L = 3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine, acac = acetylacetonate and bpy = 2,2{\textquoteright}-bipyridine) were prepared. The free L exists as a dimeric entity in the solid state via hydrogen bonding interactions involving L and water molecules present in the crystal lattice. 1 exhibits unusually strong bonds from Ru-II to coordinating pyrazolyl-N (2.040(2) Angstrom) and especially to tetrazine-N (1.913(2) Angstrom). The Ru-III/Ru-II couples of 1-3 appeared at 0.28, 1.34 and 1.50 V versus SCE, respectively. The tetrazine and bpy-based reductions were observed at -1.33 (1); -0.55 and -1.55/-1.75/-1.98 (2); -0.47/-0.78 and -1.80/-2.02 V (3), respectively. 1, 2 and 3 displayed two MLCT bands each, corresponding to dpi(Ru-II) --\> pi* (L, tetrazine) and dpi(Ru-II) --\> pi* (acac or bpy or L) transitions. 1(+) and 2(+) showed rhombic EPR spectra at 110 and 4 K, respectively and 1(-), 2(-) and 3(-) exhibited multiple line EPR spectra at 300 K. 1-3 exhibited moderately strong emission spectra in EtOH-MeOH glass at 77 K. (C) 2004 Elsevier Ltd. All rights reserved.
}, keywords = {Electrochemistry, redox, ruthenium-tetrazine, spectra, structure, synthesis}, issn = {0277-5387}, doi = {10.1016/j.poly.2004.11.019}, author = {Nayak, A. and Patra, S. and Sarkar, B. and Ghumaan, Sandeep and Puranik, Vedavati G. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000228936300008, title = {Textural/structural, stability and morphological properties of mesostructured silicas (MCM-41 and MCM-48) prepared using different silica sources}, journal = {Catalysis Communications}, volume = {6}, number = {5}, year = {2005}, month = {MAY}, pages = {361-366}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A series of MCM-41 and MCM-48 samples have been synthesized under hydrothermal and static conditions using different silica sources (fumed silica, silica sot and ethyl silicate) and characterized by powder XRD, scanning electron microscopy and N-2 adsorption. The silica source reactivity trend observed was as: ethyl silicate \> fumed silica \> silica sot. However, the extent of contraction caused by calcination, magnitude of the wall thickness and stability were found to depend not only upon the type of silica source used but also on the type of structure formed. Noticeable morphological differences were observed in case of only MCM-41 when silica sources were varied. {\textcopyright} 2005 Elsevier B.V. All rights reserved.
}, issn = {1566-7367}, doi = {10.1016/j.catcom.2005.02.011}, author = {Gaydhankar, T. R. and Taralkar, U. S. and Jha, Ratnesh Kumar and Joshi, P. N. and Kumar, R} } @article { ISI:000230123500009, title = {Thermal degradation kinetics of polyesters containing mesogenic aromatic diols}, journal = {Journal Applied Polymer Science}, volume = {97}, number = {3}, year = {2005}, month = {AUG}, pages = {784-792}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
A series of polyesters were synthesized by reacting structurally differing aromatic diols with either saturated (flexible) or unsaturated (rigid) dicarboxylic acid halide by a stirred interfacial polycondensation technique. Thermal degradation kinetics of these polyesters were investigated by applying Coats-Redfern and Horowitz-Metzger nonisothermal procedures. The dynamic thermogravimetry experiments were conducted in nitrogen to obtain differential thermogravimetric plots. Thermal stability of these polyesters was discussed on the basis of semiquantitative methods such as differential procedural decomposition temperature, integral procedural decomposition temperature, and fraction decomposition temperature (e.g., 10 \% DT). Degradation proceeded in multiple stages. The thermal degradation patterns and activation energies in these stages were discussed in relation to central bridging moieties of aromatic diol. The activation energies of these polyesters were found to be in the range of 100 to 200 kJ/mol. The effect of spacer type on activation energy was also reported. (c) 2005 Wiley Periodicals, Inc.
}, keywords = {Activation energy, Degradation, kinetics (polym.), Polycondensation, polyesters}, issn = {0021-8995}, doi = {10.1002/app.21587}, author = {Mule, Smita Atmaram and Ghadage, R. S. and Jacob, Nalini E. and Rajan, C. R. and Ponrathnam, Surendra} } @article { ISI:000227960800029, title = {Thermal, magnetic and spectral studies of metal-quinone complexes Part III. radical coordination and hydrogen bonding mediated exchange interaction in copper-hydroxyquinone complex}, journal = {Journal of Thermal Analysis and Calorimetry}, volume = {79}, number = {3}, year = {2005}, month = {FEB}, pages = {669-675}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The reaction of CuCl with 2HNQ, ( viz. 2- hydroxy- 1,4- naphthoquinone), in methanol results in [Cu-2( II, II)(4HNSQ)(2)(ONQ)(2)(H2O)(4)], Cu- 3 complex; [ where ONQ is the deprotonated oxidized form of ligand ( viz. 2- oxido- 1,4- naphthoquinone) and 4HNSQ one electron reduced tautomeric form of the ligand (i.e. 4- hydroxy - 1,2- naphthosemiquinone)]. The mixed valent redox ligation is confirmed in [ 9] by us. In present report complex Cu- 3 investigated by variable temperature magnetic susceptibility measurements ( SQUID), X and Q- band EPR, DSC and CV techniques. A break is observed in the chi(m)(-1) vs. T plot similar to 200 K in Cu- 3 which is attributed to a phase transition. In Cu- 3 a quintet state ( S= 2) is populated above 200 K by the molecular association of two exo Cu( II)( 4HNSQ) units via hydrogen bonding between Cu(ONQ) unit of endo ligands in dimer. Magnetic susceptibility data is treated with tetramer model with S= 1/2,1/2,1/2,1/2. The interdimer triplet- triplet interaction ( J) in two [ Cu( 4HNSQ)] units and intradimer ( zJ(1)) interaction between [ Cu( II)( 4HNSQ)] are best fitted with J= -50 cm(-1) and zJ(1)= 28 cm(-1), respectively, using g= 2.2. {\textquoteleft}Quintet- triplet{\textquoteright} phase transition occurs with an enthalpy change of 31.83 kJ mol(-1) estimated from DSC. Cu( II)double left right arrow Cu( I) and NSQ double left right arrow CAT redox couples at E-1/2= 0.68 V and E-1/2 = -1.12 V, respectively are result of exo ligands and Cu( II) ions interaction, while shifts of ligand based peaks viz. NQ -\> NSQ and NSQ double left right arrow CAT at - 0.44 and - 0.67 V towards positive potential on complexation are due to electron transfer interactions between endo ligand and Cu( II) ion.
}, keywords = {antiferromagnetic coupling, copper complexes, Lawsone, model complexes, quinones, triplet state}, issn = {1388-6150}, author = {Salunke-Gawali, S. and Rane, S. Y. and Boukheddaden, K. and Codjovi, E. and Linares, J. and Varret, F. and Bakare, P. P.} } @article { ISI:000232218700049, title = {Thermoreversible behavior of associating polymer solutions: thermothinning versus thermothickening}, journal = {Macromolecules}, volume = {38}, number = {20}, year = {2005}, month = {OCT}, pages = {8512-8521}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Self-assembling properties of poly(sodium acrylate) grafted with dodecyl [C12], PAAgC12, or poly(N-isopropylacrylamide) [PNIPA] side chains, PAAgPNIPA, were studied in unentangled semidilute aqueous solution. While PAAgC12 self-associates through hydrophobic interactions, the gelation of PAAgPNIPA is triggered by heating in response to the lower critical solution temperature of PNIPA (LCST similar to 32 degrees C). The local structure of the physical networks was investigated by small-angle neutron scattering, and the scattering patterns were described using a polydisperse sphere model taking into account hard-sphere interactions. This model allow us to draw a realistic picture of physical gels with quantitative information concerning the size of hydrophobic cores, the volume fraction of stickers in the aggregates, the fraction of stickers which take part in the aggregation process, the range of repulsive interactions, and the structural modifications induced by temperature. The description of the network is in good agreement with complementary data obtained from DSC and C-13 NMR. In the present work, a special emphasis has been given to the important relationship existing between the viscoelastic properties of associating polymer solutions and the binding energy of stickers leaving temporarily the micellar junction. Depending on the endothermic or exothermic nature of the disengagement process of the sticker (heat of demicellization), the relaxation time of the network and the viscoelastic properties will either decrease or increase with the temperature. The consequence is that aqueous solutions of PAAgC12 and PAAgPNIPA exhibit opposite rheological properties with the temperature, namely thermothinning and thermothickening. By mixing these two copolymers, we show that intermediate properties can be obtained but in that case a microphase-separated network is obtained as a result of copolymer segregation.
}, issn = {0024-9297}, doi = {10.1021/ma050786r}, author = {Hourdet, Dominique and Gadgil, Jayant and Podhajecka, K. and Badiger, Manohar V. and Brulet, A. and Wadgaonkar, P. P.} } @article { ISI:000230506000008, title = {Thidiazuron-induced morphogenesis in tamarind seedlings}, journal = {In Vitro Cellular \& Developmental Biology-Plant}, volume = {41}, number = {3}, year = {2005}, month = {MAY}, pages = {240-243}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Germination of tamarind seeds in medium containing thidiazuron (TDZ) resulted in induction of nodular protrusions in and around the cotyledonary node meristem. The structures developed radially in well-defined circles and subsequently spread towards the cotyledonary bridge and also in the proximal part of the hypocotyl. The structures developed into shoots on transfer to medium devoid of growth regulators. Histological studies revealed that the protrusions initiated from the nodal meristem and extended to the non-meristematic region between the two meristems and also in the proximal part of the hypocotyl in seedlings germinated in 9.08 mu M TDZ. Newly formed cell layers and less-differentiated meristematic protrusions were also seen. With the increase in the distance from the meristem, the buds were less differentiated; in the proximal part of the hypocotyl only the multiple layers of meristematic cells were noted. With extension of the period of incubation, the TDZ-induced meristematic activity extended laterally in circles towards the neighboring region. The radial spread of the meristematic activity from the center of the nodal meristem was also evident at 18.16 mu M TDZ. From the pattern of the morphogenic development and the histological studies it may be hypothesized that in tamarind, TDZ influences the existing meristems specifically. Subsequently de novo organogenesis is triggered in the neighboring cells.
}, keywords = {Caulogenesis, Histology, morphogenesis, protrusions, thidiazuron}, issn = {1054-5476}, doi = {10.1079/IVP2004611}, author = {Mehta, Urmil J. and Sahasrabudhe, N. and Hazra, Sulekha} } @article { ISI:000232196200008, title = {TiO2 ceramic varistor modified with tantalum and barium}, journal = {Materials Science and Engineering B-Solid State Materials for Advanced Technology}, volume = {123}, number = {1}, year = {2005}, month = {NOV}, pages = {50-52}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The non-linear current (I)-voltage (V) characteristics of titanium dioxide doped with small quantities of tantalum and barium (99.9 TiO2 + 0.1 Ta and 99.4 TiO2 + 0.1 Ta + 0.5 Ba, all are in at.\%) were investigated. These samples have the non-linear coefficient (alpha) values of (20-30) with high breakdown voltages (E-B similar to 400-700 V mm(-1)). The pentavalent tantalum acts as donor and increases the electronic conductivity. The higher electrical conductivity and decrease in the breakdown field strength with barium addition is attributed to higher density. The acceptor like surface states formed by barium ions segregate to grain boundaries due size misfit to thereby modifying the electrical barrier characteristics of grain boundaries. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Oxides, TiO2, varistor, X-ray diffraction}, issn = {0921-5107}, doi = {10.1016/j.mseb.2005.06.015}, author = {Gaikwad, A. B. and Navale, SC and Ravi, V} } @article { ISI:000230396800004, title = {Ti-oxo radicals and product selectivity in olefin oxidations over titanosilicate molecular sieves}, journal = {Zeitschrift f{\"u}r Physikalische Chemie International Journal of Research in Physical Chemistry and Chemical Physics}, volume = {219}, number = {7}, year = {2005}, month = {JUL}, pages = {905-920}, publisher = {OLDENBOURG VERLAG}, type = {Article}, address = {LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY}, abstract = {
The O-O bond of Ti-oxo species (Ti-peroxo, Ti-hydroperoxo or Ti-superoxo) generated on titanosilicate molecular sieves contacted with H2O2 cleaves either heterolytically or homolytically. While the former type of O-O cleavage (generating non-radical reactive oxygen intermediates) leads to selective epoxide products, the latter (generating reactive oxygen radical intermediates, O-2(-center dot) and HOOcenter dot) results in non-sclective, allylic oxidation products in cyclohexene oxidation. These radicals were detected using EPR spin trapping techniques 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) was used as the spin trap. Radical quenchers like hydroquinone suppressed their concentration and enhanced epoxide selectivity.
}, keywords = {cyclic voltammetry of titanosilicates, EPR-spin trap experiments, Molecular sieves, oxidations, product selectivity, reactive oxygen species, titaniunz-oxo radicals, Titanosilicates}, issn = {0942-9352}, doi = {10.1524/zpch.219.7.905.67088}, author = {Shetti, VN and Srinivas, D and Ratnasamy, P} } @article { ISI:000230753500025, title = {Titanium superoxide catalyzed selective oxidation of phenols to p-quinones with aq. H2O2}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {44}, number = {7}, year = {2005}, month = {JUL}, pages = {1530-1532}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, type = {Article}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
Titanium superoxide, a novel heterogeneous and readily accessible catalyst, is found to catalyze the selective oxidation of phenols to the corresponding 1,4-benzoquinones in preparative yields with aq. 30\% H2O2 as oxidant under mild reaction conditions.
}, issn = {0376-4699}, author = {Dewkar, Gajanan and Shaikh, T. M. and Pardhy, S. and Kulkarni, S. S. and Sudalai, A.} } @article { ISI:000228983300063, title = {Total synthesis of microcarpalide}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {10}, year = {2005}, month = {MAY}, pages = {4207-4210}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An efficient, convergent approach for the total synthesis of microcarpalide (1) is described. The synthetic strategy features the Sharpless asymmetric dihydroxylation, regioselective epoxide opening with various nucleophiles such as a lithium acetylide and cuprates derived from the vinyl stannane and the vinyl iodide for the construction of a C7-C8 trans-double bond and Yamaguchi macrolactonization as the key steps.
}, issn = {0022-3263}, doi = {10.1021/jo050193e}, author = {Kumar, P and Naidu, SV} } @article { ISI:000231183000055, title = {Trans-5-Aminopipecolyl-aegPNA chimera: design, synthesis, and study of binding preferences with DNA/RNA in duplex/triplex mode}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {17}, year = {2005}, month = {AUG}, pages = {6956-6959}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
[GRAPHICS] The design and synthesis of novel chiral PNA monomer based on traps-5-aminopipecolic acid is reported. The trans diequatorial disposition of the 1,4 ring substituents in six-membered 5-aminopipecolic acid derivative could be favorable over trans 1,3 axial-equatorial disposition in 4-amino-pipecolic acid of PNA. Studies on the synthesis of traps-4/ 5-aminopipecolyl PNA-eagPNA chimeras and their binding preferences to DNA/RNA in duplex/triplex modes are described.
}, issn = {0022-3263}, doi = {10.1021/jo0506884}, author = {Lonkar, P. S. and Kumar, V. A.} } @article { ISI:000229066500020, title = {Transesterification of diethyl oxalate with phenol using MoO3/SiO2 catalyst}, journal = {Applied Catalysis A-General}, volume = {285}, number = {1-2}, year = {2005}, month = {MAY}, pages = {190-195}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Transesterification of diethyl oxalate (DEO) with phenol to form diphenyl oxalate (DPO) has been carried out in liquid phase using MoO3/ SiO2 solid acid catalyst with high conversion and 100\% selectivity. A series Of MoO3/SiO2 catalysts with different Mo loadings (1-20 wt\%) were prepared using sol-gel technique and characterized using X-ray diffraction analysis (XRD), BET specific surface area, temperature-programmed desorption (TPD) of ammonia, and FTIR spectroscopic analysis of adsorbed pyridine. XRD analysis revealed the amorphous nature of the catalyst up to 10 wt\% MoO3 loading and the formation of crystalline α-MoO3 phase on amorphous silica support with higher MoO3 loading. BET surface area showed high surface area for catalysts prepared by sol-gel technique with lower MoO3 content; the surface area decreases with increasing MoO3 loading. Ammonia TPD shows much higher acid strength compared to the catalysts prepared by impregnation technique. Among the series of catalysts prepared, MoO3/SiO2 containing 1 wt\% MoO3 was found to be the most active catalyst for transesterification reaction, with a maximum DEO conversion of 80.9 and 100\% selectivity for DPO. The effects of reaction temperature and catalyst concentration on conversion and product selectivity have been investigated. {\textcopyright} 2005 Elsevier B.V. All rights reserved.
}, keywords = {diethyl oxalate, diphenyl oxalate, MoO3/SiO2, sol-gel technique, transesterification}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.02.028}, author = {Biradar, Ankush V. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000232857900012, title = {Transmetalation reaction between hydrophobic silver nanoparticles and aqueous chloroaurate ions at the air - Water interface}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {42}, year = {2005}, month = {OCT}, pages = {19620-19626}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The transmetalation reaction between a sacrificial nanoparticle and more noble metal ions in solution has emerged as a novel method for creating unique hollow and bimetallic nanostructures. In this report, we investigate the possibility of carrying out the transmetalation reaction between hydrophobic silver nanoparticles assembled and constrained at the air-water interface and subphase gold ions. We observe that facile reduction of the subphase gold ions by the sacrificial silver nanoparticles occurs resulting in the formation of elongated gold nanostructures that appear to cross-link the sacrificial silver particles. This transmetalation reaction may be modulated by the insertion of an electrostatic barrier in the form of an ionizable lipid monolayer between the silver nanoparticles and the aqueous gold ions that impacts the gold nanoparticle assembly. Transmetalation reactions between nanoparticles constrained into a close-packed structure and appropriate metal ions could lead to a new strategy for metallic cross-linking of nanoparticles and generation of coatings with promising optoelectonic behavior.
}, issn = {1520-6106}, doi = {10.1021/jp0530552}, author = {Pasricha, R and Swami, A and Sastry, M} } @article { ISI:000231367700009, title = {Transparent chiral polymers for optical applications}, journal = {Journal of Applied Polymer Science}, volume = {98}, number = {1}, year = {2005}, month = {OCT}, pages = {58-65}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Optically active chiral polymers and copolymers of cholesteryl methacrylate have been studied for use in optical applications including plastic optical fibers. Homopolymers of chiral cholesteryl methacrylate with differing molecular weights and copolymers with methyl methacrylate were synthesized by free-radical copolymerization in tetrahydrofuran using azobisisobutyronitrile at 67 degrees C for 26 h. All polymers were characterized for molecular weight, glass-transition temperature, optical rotation, transparency, and refractive index and solution blended to test for compatibility with poly(methyl methacrylate). Such chiral materials are of particular interest because they offer useful polarization properties without requiring bulk orientation of the molecules. This makes it possible to produce low cost optical elements such as circularly birefringent or circularly polarizing optical elements with potential applications in polarization manipulations and sensing. (c) 2005 Wiley Periodicals, Inc.
}, keywords = {chiral, cholesteryl methacrylate, optically active, plastic optical fiber, poly(cholesteryl methacrylate), poly(cholesteryl methacrylate-co-methyl methacrylate)}, issn = {0021-8995}, doi = {10.1002/app.21983}, author = {Pujari, N. S. and Kulkarni, M. R. and Large, M. C. J. and Bassett, I. M. and Ponrathnam, S.} } @article { ISI:000230613600002, title = {Unraveling biochemical properties of cockroach (Periplaneta americana) proteinases with a gel X-ray film contact print method}, journal = {Comparative Biochemistry and Physiology B-Biochemistry \& Molecular Biology}, volume = {141}, number = {3}, year = {2005}, month = {JUL}, pages = {261-266}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Eleven proteinase activity bands were detected in American cockroach (Periplaneta americana) gut. These were partially purified and characterized using a gel X-ray film contact print method. Cockroach gut proteinases (CGPs) show activity over a broad range of pH with maximum activity between pH 6 and 10, and optimal activity at 50-70 degrees C. CGPs were partially purified by preparative gel electrophoresis and analyzed using synthetic substrates and inhibitors. Four of the proteases exhibited chymotrypsin-like (C1 to C4) activity and seven trypsin-like (T I to T7) activity. Accuracy of the gel X-ray film contact print method is confirmed by including bovine chymotrypsin in CGP analysis. Inhibition of CGPs with different plant proteinaceous proteinase inhibitors allowed identification of potential CGP inhibitors. Our results imply that presence of several CGP activity bands, and their stability and activity over a broad pH and temperature range might contribute to adaptation of P americana to extreme environmental conditions and the polyphagous nature of the species. (c) 2005 Elsevier Inc. All rights reserved.
}, keywords = {activity visualization, cockroach, gut enzymes, Periplaneta americana, plant proteinase inhibitors, Proteinases}, issn = {1096-4959}, doi = {10.1016/cbpc.2005.02.015}, author = {Hivrale, Vandana K. and Chougule, Nanasaheb P. and Chhabda, Pavan J. and Giri, Ashok P. and Kachole, M. S.} } @article { ISI:000227346300059, title = {Unusual monodentate binding mode of 2,2 {\textquoteleft}-dipyridylamine (L) in isomeric trans(acac)(2)Ru-II(L)2, trans-[(acac)(2)Ru-III(L)(2)]ClO4, and cis-(acac)(2)Ru-II(L)(2) (acac = acetylacetonate). Synthesis, structures, and spectroscopic, electrochemical, and magn}, journal = {Inorganic Chemistry}, volume = {44}, number = {5}, year = {2005}, month = {MAR}, pages = {1571-1579}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{The reaction of cis-Ru(acac)(2)(CH3CN)(2) (acac = acetylacetonate) with 2,2{\textquoteright}-dipyridylamine (L) in ethanolic medium resulted in facile one-pot synthesis of stable [(acac)(2)Ru-III(L)]ClO4 ([1]ClO4), trans-[(acac)(2)Ru-II(L)2] (2), trans[(acac)(2)Ru-III(L)(2)[ClO4 ([2]ClO4), and cis-[(acac)(2)Ru-II(L)(2)] (3). The bivalent congener 1 was generated via electrochemical reduction Of [1]ClO4. Although in [1](+) the dipyridylamine ligand (L) is bonded to the metal ion in usual bidentate fashion, in 2/[2](+) and 3, the unusual monodentate binding mode of L has been preferentially stabilized. Moreover, in 2/[2](+) and 3, two such monodentate L{\textquoteright}s have been oriented in the trans- and cis-configurations, respectively. The binding mode of L and the isomeric geometries of the complexes were established by their single-crystal X-ray structures. The redox stability of the Ru(II) state follows the order 1 \< 2 much less than 3. In contrast to the magnetic moment obtained for [1]ClO4
}, issn = {0020-1669}, doi = {10.1021/ic049219v}, author = {Kar, S. and Chanda, N. and Mobin, Shaikh M. and Urbanos, F. A. and Niemeyer, M. and Puranik, Vedavati G. and Jimenez-Aparicio, Reyes and Lahiri, Goutam Kumar} } @article { ISI:000231782100007, title = {Unusual stereochemical outcome of radical cyclization: synthesis of (+)-biotin}, journal = {Tetrahedron}, volume = {61}, number = {39}, year = {2005}, month = {SEP}, pages = {9273-9280}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An enantioselective synthesis of (+)-biotin 1 starting from naturally available cysteine is described. The key steps are the unusual stereochemical outcome of radical cyclization of compound 10 to prepare 5,5-fused system 11, and the introduction of C4-sidechain at C-6 in 13 via a Grignard reaction. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {biotin, exocyclization, radical cyclization}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.07.070}, author = {Chavan, Subhash P. and Chittiboyina, A. G. and Ramakrishna, G. and Tejwani, R. B. and Ravindranathan, T. and Kamat, Subhash K. and Rai, B. and Sivadasan, L. and Balakrishnan, K. and Ramalingam, S. and Deshpande, V. H.} } @article { ISI:000225786100016, title = {Using the dynamic, expanding liquid-liquid interface in a Hele-Shaw cell in crystal growth and nanoparticle assembly}, journal = {Faraday Discussions}, volume = {129}, year = {2005}, month = {JAN}, pages = {205-217}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The liquid-liquid interface has been used with considerable success in the synthesis of advanced materials ranging from (bio)minerals to inorganic membranes to nanoparticles. In almost all such cases, the interface is static. The Hele-Shaw cell in which a viscous fluid is displaced by a less viscous one in a constrained manner has been invaluable in the study of dynamic instabilities at interfaces and in the study of viscous fingering pattern formation. However, the potential of the Hele-Shaw cell in carrying out reactions at the interface between the two fluids leading to the formation of inorganic materials has been largely unrecognized and underexploited. Realizing that the dynamic liquid-liquid interface in a Hele-Shaw cell would provide opportunities to control a variety of time-scales associated with material formation, we have started a program on the use of the Hele-Shaw cell in materials synthesis. In this discussion paper, we present some of our recent results on the growth of calcium carbonate crystals in the Hele-Shaw cell by the reaction of Ca2+ ions electrostatically complexed with carboxylate ions pinned to the interface with carbonate ions present in the aqueous part of the biphasic reaction medium. We show that both polymorph selectivity and the morphology of the crystals may be modulated by varying the experimental conditions in the cell. We also discuss the possibility of using the dynamic interface in the Hele-Shaw cell to cross-link gold nanoparticles in water through bifunctional linkers present in the oil phase and investigate the nature of the structures formed.
}, issn = {1364-5498}, doi = {10.1039/b405599n}, author = {Rautaray, D and Kavathekar, R and Sastry, M} } @article { ISI:000231197500017, title = {Vanadium-containing ordered mesoporous silicas: synthesis, characterization and catalytic activity in the hydroxylation of biphenyl}, journal = {Applied Catalysis A - General}, volume = {290}, number = {1-2}, year = {2005}, month = {AUG}, pages = {148-158}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A series of vanadium-containing ordered mesoporous MCM-41 materials (V-OMS) have been synthesized by direct hydrothermal (VMCM-41) and grafting (V/MCM-41) methods using hexadecyl trimethyl ammonium bromide (HDTMABr) as the structure-directing agent. The physico-chemical properties of the vanadium-containing materials were characterized in detail by ICP-OES, XRD, Fr-IR, N-2 adsorption-desorption, DRUV-VIS, TPR, XPS and SEM techniques. The redox performances of the vanadium-modified mesoporous materials were tested in the hydroxylation of biphenyl using aqueous H2O2 (30 wt.\%) as oxidant. For a better exploitation of the catalytic activity, the reaction parameters are optimized in terms of temperature, solvent, oxidant, etc. A comparison between the catalytic activity values of the vanadium-containing mesoporous materials prepared by the two routes shows that vanadium-substituted (V-MCM-41) materials had increased activity and improved selectivity for mono hydroxyl products in the hydroxylation reaction of biphenyl compared to the V/MCM-41 catalysts. The heterogenity of the catalysts was verified by a series of leaching studies. Both the catalysts enhance the leaching of active vanadia species during the reaction; among them, V/MCM-41 shows the least heterogenity. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {biphenyl, heterogenity, MCM-41, Mesoporous molecular sieves, Vanadium}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.05.012}, author = {George, J. and Shylesh, S and Singh, AP} } @article { ISI:000230768400012, title = {Vanadium-containing ordered mesoporous silicates: does the silica source really affect the catalytic activity, structural stability, and nature of vanadium sites in V-MCM-41?}, journal = {Journal of Catalysis}, volume = {233}, number = {2}, year = {2005}, month = {JUL}, pages = {359-371}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
A series of vanadium-substituted mesoporous materials were synthesized hydrothermally with the use of two commonly used silica Sources. fumed silica and tetra ethyl orthosilicate. The extent of mesopore structural ordering was confirmed from X-ray diffraction, N-2 physisorption, SEM, and TEM, and the presence and nature of vanadium species inside the framework of the MCM-41 matrix was confirmed in detail with the use of various characterization techniques like FT-IR, Si-29 MAS NMR, DRUV-vis, EPR, V-51 MAS NMR, and Raman analysis. It is deduced from the above characterization techniques that, regardless of the silica source, vanadium is incorporated into the silica framework and thereby increases the structural ordering and wall thickness of the mesoporous material. Thermal and hydrothermal Studies performed over the V-MCM-41 catalysts show that the Si-O-Si inorganic backbone from a fumed silica source is more resistant to severe thermal treatments and hydrolysis than the tetraethyl orthosilicate-synthesized catalysts. Spectroscopic characterization reveals the existence of easily accessible isolated tetrahedral vanadium sites on V-MCM-41 catalyst prepared front fumed silica catalyst, whereas the sample obtained from a tetraethyl orthosilicate silica Source shows vanadium in more disordered sites. Catalytic results show that both catalysts display excellent activity toward the epoxidation reaction of bulkier olefins, and the exceptional activity of the fumed silica catalyst may arise from the more isolated tetrahedral sites and the complementary textural characteristics, which may facilitate the easy access of substrate to the isolated framework metal sites. (c) 2005 Elsevier Inc. All rights reserved.
}, keywords = {epoxidation, fumed silica, MCM-41, tetraethyl orthosilicate, Vanadium}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.05.001}, author = {Shylesh, S and Singh, AP} } @article { ISI:000229488700008, title = {Vapor phase oxidation of 4-fluorotoluene over vanadia-titania catalyst}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {234}, number = {1-2}, year = {2005}, month = {JUN}, pages = {51-57}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The vapor phase oxidation of 4-fluorotoluene has been carried out over vanadia-titania catalysts with moderate conversion and selectivity for 4-fluorobenzaldehyde. Two series of V2O5/TiO2 catalysts with 1-10 mol\% vanadia were prepared by sol-gel technique using vanadium and titanium peroxide as vanadia and titania precursors respectively and by impregnation technique using vanadium peroxide on anatase titania support. The samples were characterized by X-ray diffraction, NH3-TPD, FT-IR and BET surface area measurements. The XRD of the catalysts prepared by impregnation technique showed retention of the anatase titania whereas the catalysts prepared by sol-gel technique showed the formation of rutile titania with minor amount of anatase phase at lower vanadia content (1-3 \%), which completely transformed into anatase phase at higher vanadia loading. The samples prepared by sol-gel method showed higher acidity and surface area compared to the samples prepared by impregnation. Pyridine adsorption study by FT-IR revealed the presence of Lewis acidity at lower vanadia loading (1-3 \%) and presence of both Lewis as well as Bronsted acidity at higher vanadia loading. The catalytic activity for oxidation of 4-fluorotoluene increased with vanadia loading in the sol-gel catalysts. The catalysts prepared by impregnation technique were found to be less active. However the selectivity for 4-fluorobenzaldehyde decreased with increase in vanadia content. The influence of vanadia loading, reaction temperature and contact time on the catalytic activity for 4-fluorotoluene oxidation has been investigated. The structure of the catalyst and its catalytic activity has been correlated. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Catalyst, fluorotoluene, Oxidation, vanadia-titania, vapor phase}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.02.020}, author = {Maurya, S. K. and Patil, P. and Shubhangi B. Umbarkar and Gurjar, M. K. and Dongare, Mohan K. and Rudiger, S. and Kemnitz, E.} } @article { ISI:000226929600009, title = {Vapour phase oxidation of acetophenone to benzoic acid over binary oxides of V and Mo}, journal = {Chemical Engineering Research and Design}, volume = {83}, number = {A1}, year = {2005}, month = {JAN}, pages = {75-80}, publisher = {INST CHEMICAL ENGINEERS}, type = {Article}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {
Test data for catalytic oxidation of acetophenone into benzoic acid performed at bench scale with V2O5-MoO3 catalyst in a continuous downflow metal reactor are presented. The process parameters such as temperature and flow rate influence the product distribution. The P2O5, B2O3 and Na2O when used as dopant on V2O5-MoO3 catalyst showed marked influence on activity and selectivity. An acidic catalyst like V2O5-MoO3-P2O5 favours formation of benzoic acid while a basic catalyst like V2O5-MoO3-Na2O favours formation of benzaldehyde. The addition of Na2O into V2O5-MoO3 binary oxides formed new phases (NaVMoO6 and Na2V2Mo3O15), which increased Arrhenius activation energy from 18.24 to 31.35 kcal mol(-1).
}, keywords = {acetophenone, activity, benzoic acid, carbon oxides, oxidation of acetophenone, selectivity}, issn = {0263-8762}, doi = {10.1205/cherd.03206}, author = {Chumbhale, Vilas R. and Paradhy, S. A. and Anilkumar, Mettu and Kadam, S. T. and Bokade, Vijay V.} } @article { ISI:000227566200019, title = {Wet-chemical templateless assembly of metal nanowires from nanoparticles}, journal = {Chemical Communications}, number = {11}, year = {2005}, month = {JAN}, pages = {1435-1437}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We describe a new, simple, room-temperature wet-chemical approach for assembling Au and Ag nanoparticles into nanowire networks, without the use of lithographic templates. Five to 35 nm-diameter nanowires passivated with a thin organic layer were synthesized by mechanically agitating a biphasic liquid mixture of an aqueous hydrosol containing the nanoparticles, and toluene. Nanowire structure and surface chemistry are discussed based on electron microscopy, UV-visible spectroscopy and thermogravimetric analyses.
}, issn = {1359-7345}, doi = {10.1039/b414447n}, author = {Maddanimath, Trupti and Kumar, Anil and D{\textquoteright}Arcy-Galla, J. and Ganesan, P. G. and Vijayamohanan, K. and Ramanath, G.} } @article { ISI:000234811400003, title = {Who patented what in 2004}, journal = {Research-Technology Management}, volume = {48}, number = {3}, year = {2005}, month = {MAY}, pages = {7-11}, publisher = {INDUSTRIAL RESEARCH INSTITUTE, INC}, type = {Editorial Material}, address = {2200 CLARENDON BLVD, STE 1102, ARLINGTON, VA 22201 USA}, issn = {0895-6308}, author = {Bowonder, B. and Krishnan, S. and Mastakar, N. V.} } @article { ISI:000233089900009, title = {Wittig-horner approach for the synthesis of tamoxifen}, journal = {Synthetic Communications}, volume = {35}, number = {21}, year = {2005}, month = {MAY}, pages = {2795-2800}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A stereoselective synthesis of Z -tamoxifen, a tetra-substituted alkene with antiestrogenic activity, is described. The Wittig-Horner reaction has been employed as the key step to establish the olefin stereochemistry.
}, keywords = {anticancer drug, phosphonate, stereoselectivity, Tamoxifen, Wittig-Horner reaction}, issn = {0039-7911}, doi = {10.1080/00397910500290516}, author = {Pandey, RK and Wakharkar, RD and Kumar, P} } @article { ISI:000232354200011, title = {X-ray crystallographic studies on C-phycocyanins from cyanobacteria from different habitats: marine and freshwater}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {61}, number = {9}, year = {2005}, month = {SEP}, pages = {844-847}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1744-3091}, doi = {10.1107/S1744309105025649}, author = {Satyanarayana, L. and Suresh, C. G. and Patel, A. and Mishra, Satyendra and Ghosh, P. K.} } @article { ISI:000228510500016, title = {X-ray photoelectron spectroscopic investigations of Cu2O nanoparticles}, journal = {Materials Research Bulletin }, volume = {40}, number = {4}, year = {2005}, month = {APR}, pages = {694-700}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Cuprous oxide nanoparticles of five different sizes were obtained by electrochemical as well as chemical routes. Various capping agents were used to passivate the nanoparticles. X-ray diffraction studies show formation of single phased, cubic Cu2O nanoparticles. X-ray photoelectron spectroscopic studies indicate formation of CuO phase on the surface of Cu2O nanoparticles for uncapped as well as for those, capped by tetraoctylammonium bromide. On the other hand polyacrylamide and polyvinyl pyrrolidone capped samples did not show presence of CuO. X-ray photoelectron spectroscopy also indicates formation of a Cu2+ complex with the capping material on the surface of Cu2O nanoparticles. The results were discussed in terms of capability of passivation of various additives. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Nanostructures, Oxides, photoelectron spectroscopy, Surfaces}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2004.12.008}, author = {Nikesh, V. V. and Mandale, A. B. and Patil, K. R. and Mahamuni, Shailaja} } @article { ISI:000231058000003, title = {Zeolite-based organic-inorganic hybrid catalysts for phosgene-free and solvent-free synthesis of cyclic carbonates and carbamates at mild conditions utilizing CO2}, journal = {Applied Catalysis A - General}, volume = {289}, number = {2}, year = {2005}, month = {AUG}, pages = {128-134}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
As-synthesized zeolite-beta exhibits high catalytic activity for the synthesis of cyclic carbonates and alkyl and aryl carbarnates by a phosgene-free route, utilizing the greenhouse effect gas CO2. The reaction occurs with high yields of the desired products at mild conditions and without using any solvent or cocatalyst. Cyclic carbonates are synthesized by cycloaddition reaction Of CO2 with oxiranes (epichlorohydrin, propene oxide, styrene oxide and n-butene oxide) at 393 K and 6.9 bar. Alkyl and aryl carbarnates are synthesized by the reaction of the corresponding amines, CO2 and n-butyl bromide at 353 K and 3.4 bar. The as-synthesized zeolite-beta containing the encapsulated quaternary ammonium ions is not only reusable in several recycling experiments, but also shows superior activity to that of the corresponding homogeneous, quaternary ammonium halide salt generally used in the commercial synthetic practice. The microporous silica (inorganic) acting in concert with the encapsulated organic component constitutes an efficient, recyclable catalyst for this reaction. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {alkyl and aryl carbamates, carbon dioxide utilization, cyclic carbonate, phosgene-free synthetic route, Polycarbonate, zeolite-beta}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.04.055}, author = {Srivastava, R and Srinivas, D and Ratnasamy, P} } @article { ISI:000228435300001, title = {Zirconia-supported 12-tungstophosphoric acid as a solid catalyst for the synthesis of linear alkyl benzenes}, journal = {Journal of Catalysis}, volume = {231}, number = {1}, year = {2005}, month = {APR}, pages = {1-10}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The liquid-phase alkylation of benzene with 1-octene and 1-dodecene was investigated with zirconia-supported 12-tungstophosphoric acid (TPA) as catalysts. We prepared the catalysts, with different TPA loading (5-20 wt\% calcined at 750 degrees C) and calcination temperatures (15 wt\% calcined from 650 to 850 degrees C), by suspending hydrous zirconia in a methanol solution of TPA, followed by drying and calcination. These catalysts were characterized by X-ray diffraction, DTG-DTA, FTIR pyridine adsorption, NH3-TPD, and P-31, MAS NMR spectroscopy measurements. The catalyst with optimum TPA loading (15\%) and calcination temperature (750 degrees C) was prepared in different solvents and characterized by P-31 MAS NMR spectroscopy. The XRD results indicate that TPA stabilizes the tetragonal phase of zirconia. The catalysts show both Bronsted and Lewis acidity, and 15\% TPA on zirconia calcined at 750 degrees C shows the highest acidity. P-31 MAS NMR spectra show two types of phosphorous species: one is the Keggin unit and the other is the decomposition product of TPA. The relative amount of each depends on TPA loading, calcination temperature, and the solvent used for the catalyst preparation. Under reaction conditions of 84 degrees C and a benzene/1-olefin molar ratio of 10 (time 1 h), the most active catalyst, 15\% TPA, calcined at 750 degrees C, gave more than 98\% olefin conversion with selectivity for 2-phenyl octane (53.5\%) and 2-phenyl dodecane (47\%). (c) 2004 Elsevier Inc. All rights reserved.
}, keywords = {12-tungstophosphoric acid, linear alkyl benzene, solvent effect, Zirconia}, issn = {0021-9517}, doi = {10.1016/j.jcat.2004.09.024}, author = {Devassy, Biju M. and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000227845200016, title = {Zirconia-supported phosphotungstic acid as catalyst for alkylation of phenol with benzyl alcohol}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {230}, number = {1-2}, year = {2005}, month = {APR}, pages = {113-119}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The liquid-phase alkylation of phenol with benzyl alcohol was carried out using zirconia-supported phosphotungstic acid (PTA) as catalyst. The catalysts with different PTA loadings (5-20 wt.\% calcined at 750 degrees C) and calcination temperature (15 wt.\% calcined from 650 to 850 degrees C) were prepared and characterized by (31)p MAS NMR and FT-IR pyridine adsorption spectroscopy. The catalyst with optimum PTA loading (15\%) and calcination temperature (750 degrees C) was prepared in different solvents. 31p MAS NMR spectra of the catalysts showed two types of phosphorous species, one is the Keggin unit and the other is the decomposition product of PTA and the relative amount of each depends on PTA loading, calcination temperature and the solvent used for the catalyst preparation. The catalysts with 15\% PTA on zirconia calcined at 750 degrees C showed the highest Bronsted acidity. At 130 degrees C and phenol/benzyl alcohol molar ratio of 2 (time, I h), the most active catalyst, 15\% PTA calcined at 750 degrees C gave 98\% benzyl alcohol conversion with 83\% benzyl phenol selectivity. (c) 2004 Elsevier B.V. All rights reserved.
}, keywords = {Benzylation, phenol, Phosphotungstic acid, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.12.028}, author = {Devassy, Biju M. and Shanbhag, G. V. and Lefebvre, F. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000236119700018, title = {2,4,6-tris(2-pyridyl)-1,3,5-triazine (tptz)-derived [Ru-II(tptz)(acac)(CH3CN)](+) and mixed-valent [(acac)(2)Ru-III{(mu-tptz-H+)(-)}Ru-II(acac)(CH3CN)](+)}, journal = {Inorganic Chemistry}, volume = {45}, number = {6}, year = {2006}, month = {MAR}, pages = {2413-2423}, type = {Article}, abstract = {
Mononuclear [Ru-II(tptz)(acac:)(CH3CN)]ClO4 ((ClO4)-Cl-[1]) and mixed-valent dinuclear [(acac)(2)Ru-III{(mu-tptz-H+)(-)}Ru-II(acac)(CH3CN)]ClO4 ([5]ClO4; acac = acetylacetonate) complexes have been synthesized via the reactions of Ru-II(acac)2(CH3CN)(2) and 2,4,6-tris(2-pyridyl)-1,3,5-triazine (tptz), in 1:1 and 2:1 molar ratios, respectively. In [1]ClO4, tptz binds with the Ru-II ion in a tridentate N,N,N mode (motif A), whereas in [5]ClO4, tptz: bridges the metal ions unsymmetrically via the tridentate neutral N,N,N mode with the Ru-II center and cyclometalated N,C- state with the Ru-III site (motif F). The activation of the coordinated nitrile function in [1]ClO4 and [5]ClO4 in the presence of ethanol and alkylamine leads to the formation of iminoester ([2]ClO4 and [7]ClO4) and amidine ([4]ClO4) derivatives, respectively. Crystal structure analysis of [2]ClO4 reveals the formation of a beautiful eight-membered water cluster having a chair conformation. The cluster is H-bonded to the pendant pyridyl ring N of tptz and also with the O atom of the perchlorate ion, which, in turn, makes short (C-H{\textendash}{\textendash}-O) contacts with the neighboring molecule, leading to a H-bonding network. The redox potentials corresponding to the (RuI)-I-I state in both the mononuclear {[(acac)(tptz)Ru-II-N=-C-CH3]ClO4 ([1]ClO4) \>\> [(acac)(tptz)Ru-II-NH=C(CH3)-OC2H5]ClO4 ([2]ClO4) \> [(acac)(tptz)(RuNH2)-N-II-C6H4(CH3)]ClO4 ([3]ClO4) \> [(acac)(tptz)Ru-II-NH=C(CH3)-NHC2H5]ClO4 ([4]ClO4)} and dinuclear {[(acac)(2)Ru-III-{mu-tptz-H+)(-)}Ru-II(acac)(N equivalent to C-CH3)]ClO4 {(mu-tptz-H+)(-)}Ru-II(acac)(N equivalent to C-CH3)]ClO4 ([5]ClO4), [(acac)(2)Ru-III[(mu-tptz-H+(N-O ([6]ClO4), [(acac)(2)Ru-III{(mu-tptz-H+)(-)}Ru-II(acac)(NH=C(CH3)-OC2H5)]ClO4( [7]ClO4), and [(acac)(2)Ru-III{(mu-tptz-H+)(-)}Ru-II(acac)(NC4H4N)]ClO4 ([8]ClO4), complexes vary systematically depending on the electronic nature of the coordinated sixth ligands. However, potentials involving the Ru-III center in the dinuclear complexes remain more or less invariant. The mixed-valent (RuRuIII)-Ru-II species ([5]ClO4-[8]ClO4) exhibits high comproportionation constant (K-c) values of 1.1 X 10(12)-2 x 109, with substantial contribution from the donor center asymmetry at the two metal sites. Complexes display Ru-II- and Ru-III-based metal-to-ligand and ligand-to-metal charge-transfer transitions, respectively, in the visible region and ligand-based transitions in the UV region. In spite of reasonably high K, values for [5]ClO4[8]ClO4, the expected intervalence charge-transfer transitions did not resolve in the tpical near-IR region up to 2000 nm. The paramagnetic (RuRuIII)-Ru-II species ([5]ClO4-[8]ClO4) displays rhombic electron paramagnetic resonance (EPR) spectra at 77 K (\< g \> similar to 2.15 and Delta g similar to 0.5), typical of a low-spin Ru-III ion in a distorted octahedral environment. The one-electron-reduced tptz complexes [RuII(tptz center dot-)(acac)(CH3CN)] (1) and [(acac)(2)Ru-III{mu-tptz-H+)(center dot 2-)}-Ru-II(acac)(CH3CN)] (5), however, show a free-radical-type EPR signal near g = 2.0 with partial metal contribution.
}, doi = {10.1021/ic0514288}, author = {Ghumaan, Sandeep and Kar, S. and Mobin, Shaikh M. and Harish, B. and Puranik, Vedavati G. and Lahiri, Goutam Kumar} } @article { ISI:000241691500159, title = {3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {62}, number = {11}, year = {2006}, month = {NOV}, pages = {O4773-O4774}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
In the title compound, C16H12Cl2O2, the dihedral angle between the benzene rings is 28.63 (6)degrees. The crystal structure is stabilized by intermolecular C-H center dot center dot center dot O hydrogen bonds and by short Cl center dot center dot center dot Cl interactions.
}, issn = {1600-5368}, doi = {10.1107/S1600536806039006}, author = {Rosli, Mohd Mustaqim and Patil, P. S. and Fun, Hoong-Kun and Razak, Ibrahim Abdul and Puranik, Vedavati G. and Dharmaprakash, S. M.} } @article { ISI:000241691500169, title = {3-(3-bromophenyl)-1-(4-methoxyphenyl)-prop-2-en-1-one}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {62}, number = {11}, year = {2006}, month = {NOV}, pages = {O4798-O4799}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
In the title compound, C16H13BrO2, the dihedral angle between the aromatic rings is 41.34 (6)degrees. The molecules (via two C-H center dot center dot center dot O intermolecular interactions) form chains along the a axis that stack into layers parallel to the b axis.
}, issn = {1600-5368}, doi = {10.1107/S1600536806039778}, author = {Patil, P. S. and Rosli, Mohd Mustaqim and Fun, Hoong-Kun and Razak, Ibrahim Abdul and Puranik, Vedavati G. and Dharmaprakash, S. M.} } @article { ISI:000237126200040, title = {4-Formylazetidin-2-ones, synthon for the synthesis of (2R,3S) and (2S,3R)-3-amino-2-hydroxydecanoic acid (AHDA)}, journal = {Tetrahedron}, volume = {62}, number = {18}, year = {2006}, month = {MAY}, pages = {4615-4621}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient synthesis of 3-amino-2-hydroxydecanoic acid (AHDA), a nonproteinogenic amino acid, using enantiopure 3-benzyloxy-4-formylazetidin-2-one as a building block is described. Both the enantiomers of AHDA have been synthesized from the corresponding enantiomer of 3-benzyloxy-4-formylazetidin-2-one in good yield and optical purity. (c) 2006 Published by Elsevier Ltd.
}, keywords = {Amino acids, azetidin-2-ones, Staudinger reaction, stereoselective synthesis, Wittig reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.01.082}, author = {Shirode, N. M. and Deshmukh, A. R. A. S.} } @article { ISI:000238171600014, title = {[6+3] cycloaddition of pentafulvenes with 3-oxidopyrylium betaine: a novel methodology toward the synthesis of 5-8 fused oxabridged cyclooctanoids}, journal = {Tetrahedron}, volume = {62}, number = {25}, year = {2006}, month = {JUN}, pages = {5952-5961}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Pentafulvenes undergo a facile [6+3] cycloaddition with 3-oxidopyrylium betaine, generated from the corresponding pyranulose acetate, leading to the formation of 5-8 fused oxabridged cyclooctanoids. The product is formed by a [6+3] cycloaddition, followed by a 1,5-hydrogen shift of the initially formed [6+3] adduct. The reaction was found to be general and a number of fulvenes with a wide range of substituents at the exocyclic double bond, that is, at the C6 position followed a similar reactivity pattern. The [6+3] adduct, a 5-8 fused oxabridged cyclooctanoid, is potentially amenable to a number of synthetic transformations due to the presence of an alpha, beta-unsaturated ketone and cyclopentadiene part. By selecting appropriately substituted fulvene and pyranulose acetates, it is possible to use this methodology for the synthesis of a wide range of 5-8 fused cyclooctanoids. The experimental results have been rationalized on the basis of theoretical calculations. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {fulvenes, oxabridged cyclooctanoids, oxidopyrylium betaine, [6+3] cycloaddition}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.04.017}, author = {Krishnan, K. Syam and Sajisha, V. S. and Anas, S. and Suresh, C. H. and Bhadbhade, Mohan M. and Bhosekar, Gaurav V. and Radhakrishnan, K. V.} } @article { ISI:000239326400010, title = {On the {\textquoteleft}{\textquoteleft}Active spacer and stabilizer{\textquoteright}{\textquoteright} role of Zn in Cu1-xZnxFe2O4 in the selective mono-N-methylation of aniline: XPS and catalysis study}, journal = {Journal of Catalysis}, volume = {241}, number = {1}, year = {2006}, month = {JUL}, pages = {83-95}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
A systematic catalytic methylation study on ferrospinel materials led to the selective production of N-methylaniline (NMA) with Cu1-xZnxFe2O4. Aniline methylation was carried out on Cu1-xZnxFe2O4 with a feed composition of CH3OH:PhNH2:H2O = 3:1:1 at 513-633 K. NMA was formed selectively on all of the catalyst compositions, with trace amounts of secondary products under most of the conditions. Cu0.5Zn0.5Fe2O4 composition showed high catalytic activity and stability up to 100 h. Although the Cu2+ was responsible for methylation activity, Zn2+ enhanced the overall stability of the catalyst system. XPS investigations revealed that the degree of Cu2+ reduction decreased dramatically from x = 0.05/0.25 to 0.5/0.75 on spent catalysts. TPR studies indicated that the reducibility of Cu2+ decreased from fully reducible at 523 K with Cu-rich compositions to partially reducible at 573 K on x = 0.5. Stable activity observed on Cu0.5Zn0.5Fe2O4 can be attributed to the highly heterogeneous distribution of metal ions. This heterogeneous distribution indicates an important role of zinc, likely as an {\textquoteleft}{\textquoteleft}active spacer cum stabilizee{\textquoteright} that hinders the reduction of active Cu2+ and contributes to prolonged activity. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {Aniline, Ferrite, N-methylaniline, N-methylation, spacer, stabilizer, surface distribution, TPR, XPS}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.04.010}, author = {Vijayaraj, Munusamy and Gopinath, Chinnakonda S.} } @article { ISI:000240521800008, title = {Adsorption of methanol on Si(100)/SiO(2)and mesoporous SBA-15}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {287}, number = {1-3}, year = {2006}, month = {SEP}, pages = {51-58}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Adsorption of methanol on SiO(100)/SiO2 substrate and mesoporous SBA-15 has been studied by using Fourier transform infrared (FTIR) and X-ray photoelectron spectroscopy (XPS). Contact angle technique is employed to study the adsorption kinetics of methanol on SiO(100)/SiO2 and thermal stability of adlayer. Thermogravimetric (TGA) technique is used to understand the thermal behavior of methanol layer on SBA-15. Adsorption kinetics fit fairly well with Langmuir isotherms giving adsorption rate constant, k(a) = 0.0021 W s(-1). FTIR results show formation of methoxy silicon (SiOCHA silicon polyhydride (SiH2), carboxylate, molecular water and hydroxyl groups on Si(100)/SiO2 surface and only methoxy silicon on SBA-15. XPS results confirm methanol adsorption and support FTIR results. The methanol adlayers are found to be thermally stable up to a temperature of similar to 262 degrees C on both Si(100)/SiO2 and SBA-15 and decompose between 262 and 450 degrees C. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Adsorption, desorption, kinetics, Methanol, SBA-15, Si(100)/SiO2, thermal stability}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2006.03.021}, author = {Mirji, S. A. and Halligudi, Shivaraj B. and Mathew, Nevin T. and Ravi, V. and Jacob, Nalini E. and Patil, K. R.} } @article { ISI:000237835100010, title = {Adsorption of octadecyltrichlorosilane on mesoporous SBA-15}, journal = {Applied Surface Science}, volume = {252}, number = {12}, year = {2006}, month = {APR}, pages = {4097-4103}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Adsorption of octadecyltrichlorosilane (OTS) on mesoporous SBA-15 has been studied by using Brunauer-Emmett-Teller (BET) surface area analysis, scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDAX), Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS) and thermo-gravimetric analysis (TGA) techniques. BET surface area analysis shows decrease of surface area from 930 to 416 m(2)/g after OTS adsorption. SEM pictures show close attachment of SBA-15 particles. EDAX measurements show increase of carbon weight percentage and decrease of oxygen and silicon weight percentage. XPS results closely support EDAX analysis. FTIR spectra shows presence of methyl (-CH3) and methylene (-CH2) bands and oriented OTS monolayer on SBA-15. Thermo-gravimetric analysis shows that the OTS adsorbed on SBA-15 are stable up to a temperature of 230 degrees C and that the OTS monolayers decompose between 230 and 400 degrees C. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Adsorption, OTS, SBA-15, Self-assembly, thermal stability}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2005.06.009}, author = {Mirji, S. A. and Halligudi, Shivaraj B. and Sawant, Dhanashri P. and Jacob, Nalini E. and Patil, K. R. and Gaikwad, A. B. and Pradhan, S. D.} } @article { ISI:000241976500018, title = {Adsorption of octadecyltrichlorosilane on Si(100)/SiO2 and SBA-15}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {289}, number = {1-3}, year = {2006}, month = {OCT}, pages = {133-140}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Adsorption of octadecyltrichlorosilane (OTS) on Si(100)/SiO2 substrate and mesoporous SBA-15 has been studied by energy dispersive X-ray analysis (EDAX), Fourier transform infrared (FTIR) and X-ray photoelectron spectroscopy (XPS). Contact angle technique is used to study the adsorption kinetics of OTS on Si(100)/SiO2 and thermal stability of adsorbed OTS layer. Thermogravirnetric (TGA) technique is employed to understand the thermal behavior of OTS adlayer on SBA-15. Langmuir isotherms fit very well with OTS adsorption kinetics data on Si(100)/SiO2 and furnish adsorption rate constant, k(a) = 236 M-1 s(-1), desorption rateconstant, k(d) = 0.0082s(-1) and Gibbs free energy of adsorption, Delta G(ads) = -6.28 kcal mol(-1). EDAX and XPS results both show increased carbon content due to OTS adsorption and decreased oxygen and silicon content due to screening of these elements by OTS adlayer. FTIR data shows methylene (-CH2) and methyl (-CH3) stretching bands, in close agreement with reported data. The OTS layers are found to be thermally. stable up to a temperature of approximate to 260 degrees C on both Si(100)/SiO2 and SBA-15. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Adsorption, Gibbs free energy, OTS, SBA-15, Self-assembly, Si(100)/SiO2, thermal stability}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2006.04.021}, author = {Mirji, S. A.} } @article { ISI:000236979100030, title = {Amino functionalized novel cholic acid derivatives induce HIV-1 replication and syncytia formation in T cells}, journal = {Journal of Medicinal Chemistry}, volume = {49}, number = {8}, year = {2006}, month = {APR}, pages = {2652-2655}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Synthesis of C-11 azido/amino functionalized cholic acid derivatives has been achieved in excellent yields. Contrary to the previous prediction of analogous compounds to be HIV-1 protease inhibitors, in the present study these novel cholic acid derivatives induced host cell fusion during the progress of HIV-1 infection and produced multinucleated giant cells. This is the first report of syncytia induction and enhancement of viral replication in HIV-1 infected T cells by cholic acid derivatives.
}, issn = {0022-2623}, doi = {10.1021/jm051114u}, author = {Salunke, Deepak B. and Ravi, D. S. and Pore, V. S. and Mitra, Debashis and Hazra, Braja G.} } @article { ISI:000240393500018, title = {Analysis of single PEM fuel cell performances based on current density distribution measurement}, journal = {Journal of Fuel Cell Science and Technology}, volume = {3}, number = {3}, year = {2006}, note = {1st Conference on European Fuel Cell Technology and Applications (EFC2005), Rome, ITALY, DEC 14-16, 2005}, month = {AUG}, pages = {351-357}, publisher = {Univ Perugia; Italian Agcy New Technol \& Environm; Amer Soc Mech Engineers}, type = {Article}, address = {THREE PARK AVE, NEW YORK, NY 10016-5990 USA}, abstract = {
A new in situ measurement method of mapping the current density distribution in polymer electrolyte fuel cells (PEFC) is used to analyze the performance of a fuel cell under different operating conditions. The present method is useful in investigating the current density distribution in a single cell as well as a stack, which carries the information about the local reactant activity over the electrode area It was found that the current density close to the gas inlets is strongly influenced by the reactants{\textquoteright} relative humidity. The performance close to the gas outlets is greatly influenced by the inlet gas pressures and the stoichiometry factors of the reactant gases, mainly on the cathode side. It was also observed that the performance of the fuel cell drops with the increase in operating temperature if the reactant gases are not sufficiently humidified.
}, keywords = {current density distribution, fuel cell performance, PEFC}, issn = {1550-624X}, doi = {10.1115/1.2173664}, author = {Ghosh, P. C. and Wuester, T. and Dohle, H. and Kimiaie, N. and Mergel, J. and Stolten, D.} } @article { ISI:000241574500031, title = {Analytically continued fock space multi-reference coupled-cluster theory: application to the shape resonance}, journal = {Chemical Physics}, volume = {329}, number = {1-3, SI}, year = {2006}, month = {OCT}, pages = {283-289}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The Fock space multi-reference coupled-cluster (FSMRCC) method is used for the study of the shape resonance energy and width in an electron-atom/molecule collision. The procedure is based upon combining a complex absorbing potential (CAP) with FSMRCC theory. Accurate resonance parameters are obtained by solving a small non-Hermitian eigen-value problem. We study the shape resonances in e(-)-C2H4 and e(-)-Mg. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {complex absorbing potential, correlated independent particle potential, Fock space multi-reference coupled-cluster theory, shape resonance}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2006.07.002}, author = {Pal, Sourav and Sajeev, Y. and Vaval, Nayana} } @article { ISI:000240279200047, title = {Assembly of hydrothermally stable ethane-bridged periodic mesoporous organosilicas with spherical and wormlike structures}, journal = {Microporous and Mesoporous Materials}, volume = {94}, number = {1-3}, year = {2006}, month = {SEP}, pages = {364-370}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Hydrothermally stable periodic mesoporous organosilicas with spherical as well as wormlike frame structures were synthesised by two different synthesis routes using the silsesquioxane precursor, 1,2-bis (triethoxy silyl) ethane (BTEE) and surfactant octadecyl trimethyl ammonium (ODTA), under basic conditions. The materials were characterized by PXRD, SEM, TEM, N-2 adsorption-desorption, FT-IR, Si-29 MAS NMR, C-13 CP MAS NMR and TG-DTA techniques. Characterization techniques revealed that the morphology of the hybrid material prepared from pure silsesquioxane precursor resulted in spherical particles while a combination of tetra ethyl orthosilicate and 1,2-bis (triethoxy silyl) ethane (90:10 ratio) resulted in materials having wormlike structures. Hydrothermal stability of the hybrid material was evaluated by refluxing the sample under boiling water for various time periods and was compared with that of a periodic mesoporous silica material, Si-MCM-41. Results showed that the hybrid material is stable up to 100 h in boiling water, with the existence of d(100) peak, while the mesopore structure of Si-MCM-41 get destroyed even after a 12 h reflux time. The improved hydrothermal stability of the hybrid material is related to the more hydrophobic environment induced inside the pore channels, due to the presence of integrating ethane groups in the wall channels. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {hybrid mesoporous materials, Hydrothermal stability, spherical particles, wormlike structures}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.04.012}, author = {Shylesh, S. and Jha, Ratnesh Kumar and Singh, A. P.} } @article { ISI:000242601100010, title = {Assembly of phase transferred nickel nanoparticles at air-water interface using Langmuir-Blodgett technique}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {6}, number = {12}, year = {2006}, month = {DEC}, pages = {3736-3745}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Development of simple and efficient protocol for the synthesis of Ni nanoparticles in aqueous media and their subsequent phase transfer to organic media is reported. The synthesis of nickel nanoparticles in aqueous medium is accomplished by reducing the nickel nitrate with sodium borohydricle in presence of oleic acid. It results in the formation of nickel nanoparticles capped with oleic acid. The pristine oleic acid capped nickel nanoparticles were then phase transferred to nonpolar solvents such as toluene using stearic acid. The phase transfer was effective probably due to the space exchange between the oleic acid moiety and stearic acid molecules. The hydrophobized Ni thus obtained was organized at the air-water interface and it was observed that by controlling the pressure and concentration of hydrophobized Ni nanoparticles at air-water interface, linear ribbon like assemblies could be obtained. The organization process was followed by surface pressure-area isotherm measurement and Brewster Angle Microscopy.
}, keywords = {assembly, Langmuir-Blodgett technique, Ni nanoparticles, Phase transfer}, issn = {1533-4880}, doi = {10.1166/jnn.2006.615}, author = {Bala, Tanushree and Joshi, Bhagyashree and Iyer, Neelima and Sastry, Murali and Bhagavatula L. V. Prasad} } @article { ISI:000241064000015, title = {Asymmetric aminohydroxylation route to cis-2,6-disubstituted piperidine-3-ol: application to the synthesis of (-)-deoxocassine}, journal = {Tetrahedron}, volume = {62}, number = {42}, year = {2006}, month = {OCT}, pages = {9942-9948}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A highly efficient, flexible, and convergent route to cis-2,3,6-trisubstituted piperidines has been developed employing the Sharpless asymmetric aminohydroxylation and stereoselective reductive amination by catalytic hydrogenation as the key steps. Its usage is illustrated by the short synthesis of the piperidine-3-ol alkaloid, (-)-deoxocassine. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.08.014}, author = {Kandula, Subba Rao V. and Kumar, Pradeep} } @article {43374, title = {Asymmetric dihydroxylation route towards the synthesis of (R)-clorprenaline hydrochloride}, journal = {Arkivoc}, year = {2006}, month = {JAN}, pages = {10-14}, abstract = {An efficient asymmetric synthesis of enantiomerically pure (R)-clorprenaline hydrochloride is described using Sharpless asymmetric dihydroxylation as the key step.}, author = {Pandey, Rajesh Kumar and Upadhyay, Rajesh Kumar and Kumar, Pradeep} } @article { ISI:000241492900018, title = {Autoreduction of cyanoferrate(III) ions in a polymer electrolyte membrane: all solid state electrochemical and spectroscopic investigations}, journal = {Chemistry of Materials}, volume = {18}, number = {22}, year = {2006}, month = {OCT}, pages = {5244-5252}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The effect of dielectric confinement on proton-coupled electron-transfer behavior and spectroscopic properties of cyanoferrate ions in a polymer electrolyte membrane (Nafion) has been investigated in an {\textquoteleft}{\textquoteleft}all-solid-state{\textquoteright}{\textquoteright} electrochemical cell, using techniques such as cyclic voltammetry, zero current chronopotentiometry, electrochemical impedance, diffuse reflectance infrared Fourier transform spectroscopy (DRIFT), UV-visible spectroscopy, X-ray photoelectron spectroscopy (XPS), and electron spin resonance spectroscopy (ESR). From the above investigations, we found that cyanoferrate(III) ions undergo autoreduction in the ionomer matrix, for which a sulfonate-coupled mechanism has been proposed. This report demonstrates the effectiveness of the micellar interface in tuning the redox potential of the confined ions. A systematic analysis of the cyclic voltammetry and impedance data for the [Fe(CN)(6)](4)(-)- containing Nafion membrane enables the estimation of a standard rate constant for [Fe(CN) 6](4-) oxidation, k(o), as 5.44 x 10(-6) cm/s and a diffusion coefficient, D-o, as 1.3 x 10(-12) cm(2)/s. A similar calculation yields a value of 4.8 x 10(-12) cm(2)/s for the diffusion coefficient of protons and 9.1 x 10(-6) cm/s for the standard rate constant for hydrogen oxidation. The similarity in mass-transfer coefficients calculated for protons and [Fe(CN)(6)](4-) ions suggests a proton-coupled electron-transfer mechanism for the [Fe(CN)(6)](4-)/[Fe(CN)(6)](3-) couple. The results of the above investigations could have direct technological relevance for deciding catalyst materials having redox compatibility with the polymer electrolyte, especially in the preparation of catalyst-coated membranes (wherein the fuel-cell catalyst is directly coated onto the polymer membrane instead of on the carbon support).
}, issn = {0897-4756}, doi = {10.1021/cm061444i}, author = {Parthasarathy, Meera and Gopinath, Chinnakonda S. and Pillai, Vijayamohanan K.} } @article { ISI:000241481100021, title = {Beta-lactam-azasugar hybrid as a competitive potent galactosidase inhibitor}, journal = {Tetrahedron Letters}, volume = {47}, number = {45}, year = {2006}, month = {NOV}, pages = {7923-7926}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A beta-lactam-azasugar hybrid (polyhydroxylated carbacephem) has been designed and synthesized as a potent glycosidase inhibitor. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {beta-Galactosidase, beta-lactam-azasugar, glycosidase inhibitor, hybrid molecules}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.09.005}, author = {Pandey, Ganesh and Dumbre, Shrinivas G. and Khan, Mohammad Islam and Shabab, M. and Puranik, Vedavati G.} } @article { ISI:000241426600022, title = {Binding of T-antigen disaccharides to artocarpus hirsuta lectin and jacalin are energetically different}, journal = {Photochemistry and Photobiology}, volume = {82}, number = {5}, year = {2006}, month = {SEP}, pages = {1315-1318}, publisher = {AMER SOC PHOTOBIOLOGY}, type = {Article}, address = {BIOTECH PARK, 1021 15TH ST, SUITE 9, AUGUSTA, GA 30901-3158 USA}, abstract = {
The thermodynamics of binding of Me-alpha-GalNAc, Gal-beta-1-3GalNAc-alpha-O-Me (T-antigen-alpha), Gal-beta-1-3GalNAc and Gal-alpha-1-6Glc (mellibiose) to Artocarpus hirsuta lectin was studied using fluorescence spectroscopy. The binding affinities of the saccharides are in the order Gal-beta-1-3GalNAc-alpha-O-Me \> Me-alpha-GalNAc \> Me-alpha-Gal \> Gal-beta-1-3GalNAc \> Gal-alpha-1-6Glc. The binding affinities were comparable to those for jacalin. However, binding of the saccharides to the A. hirsuta lectin was not affected as strongly by temperature as observed in jacalin and the trend was found to be reversed. Values for Delta H and Delta S were found to be positive in A. hirsuta lectin-disaccharide binding despite similar binding affinities. Thus, with 99\% structural and 96\% sequence homology, with similar sugar specificity and affinity, the energetics of the disaccharide binding of the two lectins seem to be different. Me-alpha-GalNAc binding to A. hirsuta lectin is enthalpically driven, because the association constant decreases with increasing temperature. However, the binding of the T-antigen disaccharides and mellibiose disaccharides to the lectin is entropically driven. The difference in the molecular associations in the packing and variation of the C-terminal length of the P chain of the A. hirsuta lectin could be reflected in the different disaccharide binding energetics.
}, issn = {0031-8655}, doi = {10.1562/2006-05-04-RN-892}, author = {Gaikwad, Sushama M. and Khan, Mohammad Islam} } @article { ISI:000243272400038, title = {BINOL: a versatile chiral reagent}, journal = {Synlett}, number = {19}, year = {2006}, month = {DEC}, pages = {3366-3367}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, issn = {0936-5214}, doi = {10.1055/s-2006-956459}, author = {Pandey, Satyendra Kumar} } @article { ISI:000242459500013, title = {Biochemical characterization of a low molecular weight aspartic protease inhibitor from thermo-tolerant bacillus licheniformis: kinetic interactions with pepsin}, journal = {Biochimica et Biophysica Acta-General Subjects}, volume = {1760}, number = {12}, year = {2006}, month = {DEC}, pages = {1845-1856}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The present article reports a low molecular weight aspartic protease inhibitor, API, from a newly isolated thermo-tolerant Bacillus licheniformis. The inhibitor was purified to homogeneity as shown by rp-HPLC and SDS-PAGE. API is found to be stable over a broad pH range of 2-11 and at temperature 90 degrees C for 2 1/2 h. It has a Mr (relative molecular mass) of 1363 Da as shown by MALDI-TOF spectra and 1358 Da as analyzed by SDS-PAGE The amino acid analysis of the peptide shows the presence of 12 amino acid residues having Mr of 1425Da. The secondary structure of API as analyzed by the CD spectra showed 7\% alpha-helix, 49\% beta-sheet and 44\% aperiodic structure. The Kinetic studies of Pepsin-API interactions reveal that API is a slow-tight binding competitive inhibitor with the IC(50) and K(i) values 4.0nM and (3.83 nM - 5.31 nM) respectively. The overall inhibition constant K(i)* value is 0.107 +/- 0.015 nM. The progress curves are time-dependent and consistent with slow-tight binding inhibition: E+I reversible arrow (k(4), k(5)) EI reversible arrow (k(6), k(7)) EI*. Rate constant k(6) = 2.73 +/- 0.32 s(-1) reveals a fast isomerization of enzyme-inhibitor complex and very slow dissociation as proved by k(7)=0.068 +/- 0.009s(-1). The Rate constants from the intrinsic tryptophanyl fluorescence data is in agreement with those obtained from the kinetic analysis; therefore, the induced conformational changes were correlated to the isomerization of EI to EI*. (c) 2006 Elsevier B.V. Ail rights reserved.
}, keywords = {Aspartic protease inhibitor, Bacillus licheniformis, enzyme kinetic, Pepsin, Slow-tight binding inhibition}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2006.08.004}, author = {Kumar, Ajit and Rao, Mala} } @article { ISI:000236076400015, title = {Biodegradation of gamma-sterilised biomedical polyolefins under composting and fungal culture environments}, journal = {Polymer Degradation and Stability}, volume = {91}, number = {5}, year = {2006}, month = {MAY}, pages = {1105-1116}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Polyolefin-based commodities are widely used as biomedical devices and food packaging after gamma-sterilisation. The aim of the present work was to study the effect of gamma-sterilisation on the biodegradation of polyolefins. Films of isotactic polypropylene, high-density polyethylene and ethylene-propylene (EP) copolymers were sterilised under gamma-radiation with doses of 10 and 25 kGy. Neat and sterilised samples were incubated in compost and fungal culture environments. The changes in functional groups, surface morphology and chain scission in polymer chains were characterized by FTIR spectroscopy, SEM and viscometric measurements, respectively. A gradual decrease in intrinsic viscosity [eta] and increase in carbonyl and hydroxyl regions in FTIR spectra were found for the gamma-sterilised samples as a function of increasing dose. Polypropylene was found to be more susceptible to both radio-oxidation and biodegradation. It was observed that in case of ethylene-propylene copolymers, extent of gamma-sterilisation and/or biodegradation depends on the composition and distribution of comonomers. Important surface erosion was detected by SEM, for higher sterilisation doses, after composting. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Biodegradation, chain scission, Composting and fungal culture, gamma-sterilisation, Polyolefins}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2005.07.004}, author = {Alariqi, Sameh A. S. and Kumar, A. P. and Rao, B. S. M. and Singh, R. P.} } @article {42761, title = {Bis(2-diphenylphosphinoxynaphthalen-1-yl)methane: transition metal chemistry, Suzuki cross-coupling reactions and homogeneous hydrogenation of olefins}, journal = {Dalton Transactions}, year = {2006}, month = {NOV}, pages = {1322-1330}, type = {Article}, abstract = {
Transition metal complexes of bis(2-diphenylphosphinoxynaphthalen-1-yl)methane (1) are described. Bis(phosphinite) 1 reacts with Group 6 metal carbonyls, [Rh(CO)2Cl]2, anhydrous NiCl2, [Pd(C3H5)Cl]2/AgBF4 and Pt(COD)I2 to give the corresponding 10-membered chelate complexes 2, 3 and 5{\textendash}8. Reaction of 1 with [Rh(COD)Cl]2 in the presence of AgBF4 affords a cationic complex, [Rh(COD){Ph2P({\textendash}OC10H6)({\textmu}-CH2)(C10H6O{\textendash})PPh2-κP,κP}]BF4 (4). Treatment of 1 with AuCl(SMe2) gives mononuclear chelate complex, [(AuCl){Ph2P({\textendash}OC10H6)({\textmu}-CH2)(C10H6O{\textendash})PPh2-κP,κP}] (9) as well as a binuclear complex, [Au(Cl){{\textmu}-Ph2P({\textendash}OC10H6)({\textmu}-CH2)(C10H6O{\textendash})PPh2-κP,κP}AuCl] (10) with ligand 1 exhibiting both chelating and bridged bidentate modes of coordination respectively. The molecular structures of 2, 6, 7, 9 and 10 are determined by X-ray studies. The mixture of Pd(OAc)2 and 1 effectively catalyzes Suzuki cross-coupling reactions of a range of aryl halides with aryl boronic acid in MeOH at room temperature or at 60 {\textdegree}C, giving generally high yields even under low catalytic loads. The cationic rhodium(I) complex, [Rh(COD){Ph2P({\textendash}OC10H6)({\textmu}-CH2)(C10H6O{\textendash})PPh2-κP,κP}]BF4 (4) catalyzes the hydrogenation of styrenes to afford the corresponding alkyl benzenes in THF at room temperature or at 70 {\textdegree}C with excellent turnover frequencies.
}, doi = {10.1039/b510589g}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article {42737, title = {Brewster angle microscope - an excellent tool for nanoscience researchers}, journal = {Synthesis and Reactivity in Inorganic Metal - Organic and Nano-Metal Chemistry}, volume = {36}, year = {2006}, month = {AUG}, pages = {227-229}, type = {Article}, doi = {10.1080/15533170500524785}, author = {Joshi, Bhagyashree and Khatavkar, Rupali and Iyer, Neelima} } @article { ISI:000237128700003, title = {CFD simulation of gas-liquid stirred vessel: VC, S33, and L33 flow regimes}, journal = {AICHE Journal}, volume = {52}, number = {5}, year = {2006}, month = {MAY}, pages = {1654-1672}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
A comprehensive computational model based on the Eulerian-Eulerian approach was developed to simulate gas-liquid flows in a stirred vessel. A separate submodel was developed to quantitatively understand the influence of turbulence and presence of neighboring bubbles on drag acting on bubbles. This submodel was used to identify an appropriate correlation for estimating the interphase drag force. The standard k-epsilon turbulence model was used to simulate turbulent gas-liquid flows in a stirred vessel. A computational snapshot approach was used to simulate motion of the standard Rushton turbine in a fully baffled vessel. The computational model was mapped onto FLUENT4.5, a commercial CFD solver. The model predictions were compared with the previously published experimental data of Bombac and co-workers. The model was used to simulate three distinct flow regimes in gas-liquid stirred vessels: vortex clinging (VC), alternating small cavities (S33), and alternating large cavities (L33). The predicted results show reasonably good agreement with the experimental data for all three regimes. The computational model and results discussed in this work would be useful for understanding and simulating gas holdup distribution and flow regimes in stirred vessels. (c) 2006 American Institute of Chemical Engineers.
}, keywords = {computational fluid dynamics (CFD), Flow regimes, gas holdup distribution, Rushton turbine, stirred vessel}, issn = {0001-1541}, doi = {10.1002/aic.10762}, author = {Khopkar, A. R. and Ranade, V. V.} } @article { ISI:000236318000022, title = {CFD simulation of mixing in tall gas-liquid stirred vessel: role of local flow patterns}, journal = {Chemical Engineering Science}, volume = {61}, number = {9, SI}, year = {2006}, note = {7th International Conference on Fluid Mixing, London, ENGLAND, APR 10-12, 2006}, month = {MAY}, pages = {2921-2929}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In this work, we have used the computational fluid dynamics (CFD)-based models to investigate the gas-liquid flows generated by three down-pumping pitched blade turbines. A two-fluid model along with the standard k-epsilon turbulence model was used to simulate the dispersed gas-liquid flow in a stirred vessel. Appropriate drag corrections to account for bulk turbulence [Khopkar and Ranade, 2005. CFD simulation of gas-liquid flow in a stirred vessel: VC, S33 and L33 flow regimes. A.I.Ch.E. Journal, accepted for publication] were developed to correctly simulate different flow regimes. The computational snapshot approach was used to simulate impeller rotation and was implemented in the commercial CFD code, FLUENT4.5 (of Fluent. Inc., USA). The computational model has successfully captured the flow regimes as observed during experiments. The particle trajectory simulations were then carried out to examine the influence of the different flow regimes on the circulation time distribution. The model predictions were verified by comparing the predicted results with the experimental data of [Shewale and Pandit, 2006. Studies in multiple impeller agitated gas-liquid contactors. Chemical Engineering Science 61, 489-504]. The computational model and results discussed in this study would be useful for explaining the implications local flow patterns on the mixing process and extending the applications of CFD models for Simulating large multiphase stirred reactors. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {CFD, Flow regimes, mixing, pitched blade turbine, stirred vessel}, issn = {0009-2509}, doi = {10.1016/j.ces.2005.09.023}, author = {Khopkar, A. R. and Kasat, Gopal R. and Pandit, A. B. and Ranade, V. V.} } @article { ISI:000241717400007, title = {CFD simulation of shortstopping runaway reactions in vessels agitated with impellers and jets}, journal = {Journal of Loss Prevention in the Process Industries}, volume = {19}, number = {6}, year = {2006}, month = {NOV}, pages = {570-581}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Runaway reactions are continuing to be a problem in the chemical industry. A recent study showed that 26\% of our major chemical plant accidents are due to runaways. The consequences of runaway reactions are usually mitigated with (a) reliefs and containment systems or (b) shortstopping (reaction inhibition). This study covers the concept of shortstopping. One of the major reasons for runaways is power failure. In the advent of a power failure, mixing an inhibiting agent with the reactor contents is challenging. However, jets or impellers driven by a small generator can be used for mixing. This study compares shortstopping results in vessels agitated with jets and impellers using computational fluid dynamics (CFD). A commercial CFD code, Fluent is used. For shortstopping systems relying on jet mixing, angle and diameter of jet nozzle and jet velocity are the key design/operating parameters. For the systems with impellers, type, size and RPM of impeller are the key parameters. In this work, mixing with a jet mixer is first investigated for three nozzle diameters and two angles of injection. The best jet mixer configuration on the basis of mixing time is used for shortstopping studies. The simulated shortstopping results with the jet mixer are then compared with those obtained with impeller (Rushton and pitched blade turbine) stirred vessels. Our results identify the conditions for effective shortstopping; i.e., agitation requirements, locations for adding the inhibitor, and the quantity of inhibitor. The distribution of excess inhibitor is shown to be an important and essential design criterion for effective shortstopping when using impeller stirred vessels. The comparative study with a single jet shows that jet mixer is ineffective when used for shortstopping. Efforts such as adding excess inhibitor and inhibition with higher reaction rates at the same power, proved to be ineffective when using jet mixer compared to the results with impellers. (C) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {CFD, impeller stirred vessels, jet mixer, runaway reaction, shortstopping}, issn = {0950-4230}, doi = {10.1016/j.jlp.2006.02.003}, author = {Dakshinamoorthy, D. and Khopkar, A. R. and Louvar, J. F. and Ranade, V. V.} } @article { ISI:000241010400014, title = {Characterization of Cd1-xZnxSe thin films deposited at low temperature by chemical route}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {17}, number = {12}, year = {2006}, month = {DEC}, pages = {1055-1063}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Optoelectronic technologically important pseudo-binary Cd1-xZnxSe thin films with a variable composition ( 0 \< x \< 1) has been developed by chemical bath deposition method. The objective to study growth kinetics, physical, microscopic, compositional, optical, electrical and structural changes. Cd1-xZnxSe have been deposited on non-conducting glass substrate in tartarate bath containing Cd+2 and Zn+2 ions with sodium selenosulphate with an aqueous alkaline medium at 278 K. The quality and the thickness of the films are depends upon deposition temperature, deposition time and pH, etc. X-ray diffraction (XRD), atomic absorption spectroscopy, optical absorption, scanning electron microscopy and thermoelectric technique characterized the films. The XRD study indicates the polycrystalline nature in single cubic phase over whole range of composition. Analysis of absorption spectra gave direct type band gap, the magnitude of which increases non-linearly as zinc content in the film is increased and dc electrical conductivity at room temperature was found to decreases from 10(-7) to 10(-8) (Omega cm)(-1). All the films show n-type conductivity. The promising features observed are the formation of continuous solid solutions in a single cubic phase.
}, issn = {0957-4522}, doi = {10.1007/s10854-006-9034-2}, author = {Hankare, P. P. and Chate, P. A. and Asabe, M. R. and Delekar, S. D. and Mulla, Imtiaz S. and Garadkar, K. M.} } @article { ISI:000241306000020, title = {Characterization of nanosized NiZn ferrite powders synthesized by an autocombustion method}, journal = {Materials Chemistry and Physics}, volume = {100}, number = {1}, year = {2006}, month = {NOV}, pages = {98-101}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Nanocrystalline Ni0.5Zn0.5Fe2O4 with average particle size of similar to 9 nm has been synthesized by an autocombustion method and characterized by powder XRD, TEM and room temperature magnetic measurements. High room temperature magnetization comparable to that of the bulk material is obtained for the nanosized powders annealed at 800 degrees C, with a maximum particle size of similar to 54 nm. The results show that optimum properties can be achieved for NiZn ferrite powders synthesized by the present autocombustion method and processed at relatively lower temperatures. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Chemical synthesis, Magnetic materials, magnetic properties, Oxides}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.12.012}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000237358000001, title = {Characterization of polydimethylsiloxane rubber upon photochemical, thermal, salt-fog ageings and exposure to acid vapours}, journal = {E-Polymers}, year = {2006}, month = {MAY}, pages = {Article No. 013}, publisher = {EUROPEAN POLYMER FEDERATION}, type = {Article}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {
The changes in the chemical structure and the physical properties of a filled crosslinked polydimethylsiloxane rubber were monitored as a function of various ageing factors. The variables included photochemical, thermal, salt-fog ageings and exposure to acid vapours. Unaged and aged samples were studied by IR spectroscopy, hardness measurements, Differential Scanning Calorimetry (DSC) and thermogravimetric analysis (TGA) coupled with IR spectroscopy. No significant oxidation was detected after all ageings, except for nitric acid treatment. The presence of aluminium trihydrate was clearly identified as responsible for the observed chemical changes. Then an important vulnerability of this filled silicone rubber towards the cross-linking reactions provoked by usual ageings was also detected. The DSC-thermoporosimetry measurements of the mesh size distribution gave a comparison of cross-linking densities for each ageing. The complementary analysis with TGA-IR allowed us to differenciate the thermal stability of the formulation after various ageings and to acquire new knowledge about thermal decomposition.
}, issn = {1618-7229}, author = {Delor-Jestin, Florence and Tomer, N. S. and Singh, R. P. and Lacoste, Jacques} } @article { ISI:000235860500029, title = {Chemical methods to synthesize FeTiO3 powders}, journal = {Materials Letters}, volume = {60}, number = {11}, year = {2006}, month = {MAY}, pages = {1425-1427}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Three different techniques were used to synthesize FeTiO3 powders. The first method is simple coprecipitation of both Fe and Ti ions under basic conditions using standard ammonia solution from aqueous ferric nitrate and titanium oxy chloride. This precipitate on heating at 400 degrees C produces ilmenite phase. The second method is to digest hydroxide precipitates at 100 degrees C to form FeTiO3 phase. The third technique is to make use of citrate process to form FeTiO3 powders. The phase contents and lattice parameters were Studied by powder X-ray diffraction (XRD). Particle size and morphology were studied by Transmission Electron Microscopy (TEM). (c) 2005 Elsevier B.V. All tights reserved.
}, keywords = {Chemical synthesis, Electron microscopy, electronic materials, X-ray methods}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.11.041}, author = {Mona, J. and Kale, Sangeeta N. and Gaikwad, A. B. and Murugan, A. Vadivel and Ravi, V.} } @article { ISI:000241064000001, title = {Chemistry of recently isolated naturally occurring quinazolinone alkaloids}, journal = {Tetrahedron}, volume = {62}, number = {42}, year = {2006}, month = {OCT}, pages = {9787-9826}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The present review portrays a concise account of the isolation, bioactivity, and synthesis of bioactive quinazolinone-based natural products for the period 1983-2005 and the recent developments in the area of complex quinazolinone natural products with a special emphasis on new synthetic routes and strategies. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {1983-2005, bioactivity, concise account, isolation, natural quinazolinones, synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.07.098}, author = {Mhaske, Santosh B. and N. P. Argade} } @article { ISI:000239077500019, title = {Chemo-, regio- and stereo-selective aerial oxidation of limonene to the endo-1,2-epoxide over Mn(Salen)-sulfonated SBA-15}, journal = {Applied Catalysis A-General}, volume = {309}, number = {1}, year = {2006}, month = {JUL}, pages = {144-154}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Mn(Salen) complexes immobilized on sulfonic acid-functionalized SBA-15 molecular sieves (SBA-15-pr-SO3-Mn(Salen)) catalyze the Mukaiyama-type oxidation of R-(+)-limonene selectively to the 1,2-epoxide with molecular oxygen at 298 K (Salen = N,N-ethylenebis(salicylidenaminato)). The endo-diastereomer is formed with a diasteromeric excess of 39.8\%. This catalyst exhibited higher catalytic activity than {\textquoteleft}{\textquoteleft}neat{\textquoteright}{\textquoteright} Mn(Salen) complexes directly supported on SBA-15 or zeolite-Y. A change in the oxidation state of Mn from +3 in the {\textquoteleft}{\textquoteleft}neat{\textquoteright}{\textquoteright} complex to +2 when immobilized on the sulfonated surface is a probable cause for the observed enhancement of catalytic activity. A part of the Mn complexes was leached out of the solid phase during the reaction. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {aerial oxidation of limonene, catalysis by Mn(Salen) complexes, chemo-, immobilized Mn Schiff base complexes, Mesoporous molecular sieves, Mukaiyama-type oxidation, regio- and stereo-selective epoxidation, sulfonic acid-functionalized SBA-15}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.05.011}, author = {Saikia, Lakshi and Srinivas, D. and Ratnasamy, Paul} } @article { ISI:000237318000033, title = {Chemoselective anti-Markovnikov hydroamination of alpha,beta-ethylenic compounds with amines using montmorillonite clay}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {250}, number = {1-2}, year = {2006}, month = {MAY}, pages = {210-217}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The catalytic activity of montmorillonite clays as a catalyst for the hydroamination of alpha,beta-ethylenic compounds with amines was tested. Aniline and substituted amines reacted with alpha,beta-ethylenic compounds in the presence of catalytic amount of commercially available clay to afford exclusively anti-Markovnikov adduct in excellent yields. Aniline reacted with ethyl acrylate to yield only anti-Markovnikov adduct N-[2-(ethoxycarbonyl)ethyl] aniline (mono-addition product). No Markovnikov adduct (N-[1-(ethoxycarbonyl)ethyl]aniline and double addition product N,N-bis[2-(ethoxycarbonyl)ethyl]aniline were formed under selected reaction conditions. For a better exploitation of the catalytic activity in terms of increased activity and improved selectivity for the mono-addition product, the reaction parameters were optimized in terms of temperature, solvent, reactant mole ratio. Under optimized reaction conditions, montmorillonite clay K-10 showed a superior catalytic performance in the hydroamination of ethyl acrylate with aniline with a conversion of aniline to mono-addition product (almost 100\% chemoselectivity) with a high rate constant 0.3414 min(-1) compared to the reported protocols. The dependence of conversion of aniline over different types of montmorillonite clays (K-10, K-20, K-30, Al-Pillared clay and untreated clay) has also been discussed. The activities of clay for the hydroamination of different aromatic and aliphatic amines have also been investigated. Under harsh reaction conditions (increased temperature and long reaction time) small amounts of di-addition products were observed. The kinetics data has been interpreted using the initial rate approach model. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {alpha, amines, anti-Markovnikov addition product, beta-ethylenic compounds, chemo-selective, hydroamination, K-10 montmorillonite clay}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.01.062}, author = {Joseph, Trissa and Shanbhag, G. V. and Sawant, D. P. and Halligudi, Shivappa B.} } @article { ISI:000237850400019, title = {Chemoselective dithioacetalization of aldehydes using silica sulfuric acid as a reusable catalyst}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {45}, number = {5}, year = {2006}, month = {MAY}, pages = {1291-1295}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
Silica sulfuric acid has been found to be an efficient and reusable catalyst for chemoselective dithioacetalization of aldehydes over ketones, in excellent yields.
}, keywords = {Chemoselective, dithioacetalization, silica sulfuric acid}, issn = {0376-4699}, author = {Pore, D. M. and Desai, Uday V. and Mane, R. B. and Wadgaonkar, P. P.} } @article { ISI:000241306300002, title = {Claisen rearrangement of allyl phenyl ether over zeolites beta, mordenite and Y}, journal = {Microporous and Mesoporous Materials}, volume = {95}, number = {1-3}, year = {2006}, month = {OCT}, pages = {8-16}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The Claisen rearrangement of allyl phenyl ether (APE) to o-allylphenol was investigated over zeolites beta (BEA), mordenite (MOR) and Y (FAU) with different Si/Al ratios. Over the zeolite catalysts, the allylphenol cyclized to produce 2,3-dihydro-2-methyl benzofuran. Larger catalyst loading, higher reaction temperatures and longer run duration favored the formation of the ring compound. Conversion was small over MOR and FAU although they possessed higher acidity (as measured by the temperature programmed desorption of ammonia) compared to BEA. Studies using BEA revealed that the nature of the solvent influenced the reaction rate. The order of reactivity in the solvents was, benzene \> EDC (1,2-dichloroethane) \> toluene \> TCE (1, 1,2,2-tetrachloroethane) \>\> ACN (acetonitrile). The intermediate allylphenol reacted with the aromatic solvents to produce byproducts when benzene and toluene were used as solvents. A kinetic analysis assuming first order series and parallel reactions is presented. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {allyl phenyl ether, allylphenol, Benzofuran, Claisen rearrangement, zeolites}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.05.001}, author = {Wagholikar, S. G. and Mayadevi, S. and Jacob, Nalini E. and Sivasanker, S.} } @article { ISI:000239818300010, title = {Clay-mediated selective hydrolysis of 5 {\textquoteleft}-O-acetyl-2 {\textquoteleft},3 {\textquoteleft}-isopropylidene/cyclohexylidene nucleosides}, journal = {Synthetic Communications}, volume = {36}, number = {16}, year = {2006}, month = {AUG}, pages = {2321-2327}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A generalized procedure for the selective hydrolysis of 5{\textquoteright}O-acetyl-2{\textquoteright},3{\textquoteright}-isopropylidene/cyclohexylidene nucleosides with a solid catalyst, Montmorillonite K-10 in refluxing methanol, to furnish 5{\textquoteright}-O-acetyl-nucleosides is described.
}, keywords = {5-O-acetylnucleosides, isopropylidene-nucleoside hydrolysis, montmorillonite K 10}, issn = {0039-7911}, doi = {10.1080/00397910600639968}, author = {Gurjar, Mukund K. and Mondal, Dhananjoy and Ravindranadh, S. V. and Chorghade, Mukund S.} } @article { ISI:000238812600009, title = {CO2 reforming of methane combined with steam reforming or partial oxidation of methane to syngas over NdCoO3 perovskite-type mixed metal-oxide catalyst}, journal = {Applied Energy}, volume = {83}, number = {9}, year = {2006}, month = {SEP}, pages = {1024-1032}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
CO2 reforming with simultaneous steam reforming or partial oxidation of methane to syngas over NdCoO3 perovskite-type mixed metal oxide catalyst (prereduced by H-2) at different process conditions has been investigated. In the simultaneous CO2 and steam reforming, the conversion of methane and H2O and also the H-2/CO product ratio are strongly influenced by the CO2/H2O feed-ratio. In the simultaneous CO2 reforming and partial oxidation of methane, the conversion of methane and CO2, H-2 selectivity and the net heat of reaction are strongly influenced by the process parameters (viz. temperature, space velocity and relative concentration of O-2 in the feed). In both cases, no carbon deposition on the catalyst was observed. The reduced NdCoO3 perovskite-type mixed-oxide catalyst (Co dispersed on Nd2O3) is a highly promising catalyst for carbon-free CO2 reforming combined with steam reforming or partial oxidation of methane to syngas. (c) 2005 Published by Elsevier Ltd.
}, keywords = {Co/Nd2O3 catalyst, methane, NdCoO3 perovskite-type mixed metal-oxide catalyst, Oxy-CO2 reforming of methane, simultaneous CO2 and steam reforming of methane}, issn = {0306-2619}, doi = {10.1016/j.apenergy.2005.09.008}, author = {Choudhary, Vasant R. and Mondal, Kartick C.} } @article { ISI:000238258500019, title = {CO2 reforming of methane to syngas over CoOx/MgO supported on low surface area macroporous catalyst carrier: Influence of Co loading and process conditions}, journal = {Industrial \& Engineering Chemistry Research}, volume = {45}, number = {13}, year = {2006}, month = {JUN}, pages = {4597-4602}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The effect of Co loading (5-30 wt \%) and process parameters ( reduction pretreatment, reaction temperature, and space velocity) have been investigated over CoOx/MgO(5\%)/SA-5205 catalyst for the CO2 methane reforming process. The Co loading had a profound effect on the methane conversion and the hydrogen selectivity ( initial and time-on-stream activity) for the unreduced catalysts. While negligible methane conversion was observed for the 5 and 10 wt \% Co loading catalyst, methane conversions \> 95\% were obtained over the high Co loading ( 20 and 30 wt \%) catalysts; hydrogen selectivity followed the same trend as methane conversion. The Co loading level had a relatively smaller influence in the case of the reduced catalysts. While the 5 wt \% Co catalyst showed low methane conversion activity (\< 30\%), the 10 wt \% Co catalyst showed methane conversion levels comparable to those of the high Co loading catalysts. The high Co loading catalysts showed an excellent time-on-stream performance for the CO2 methane reforming reaction. X-ray diffraction and temperature-programmed reduction experiments indicate that the interesting activity behavior exhibited by the catalysts is related to the different phases ( and their reducibility) present in the catalysts at different Co loadings. The hydrogen selectivity was found to decrease with decreasing reaction temperature and increasing space velocity due to the increased simultaneous occurrence of the reverse water-gas shift reaction along with the CO2 reforming reaction.
}, issn = {0888-5885}, doi = {10.1021/ie060260a}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Choudhary, Tushar V.} } @article { ISI:000239671800023, title = {Cobalt-containing hexagonal mesoporous molecular sieves (Co-HMS): Synthesis, characterization and catalytic activity in the oxidation reaction of ethylbenzene}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {255}, number = {1-2}, year = {2006}, month = {AUG}, pages = {123-130}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Cobalt-containing hexagonal mesoporous materials (Co-HMS and Co/HMS) with different cobalt content were synthesized for the first time by direct hydrothermal and post-synthesis (grafting) method. The materials were characterized in detail by X-ray diffraction, BET surface area, N-2 sorption isotherms, SEM, TEM, UV-vis and XPS techniques. Powder X-ray diffraction pattern, N2 adsorption-desorption analysis and TEM analysis show the presence of hexagonal mesoporous structure, having Type W isotherms and reveals the typical wormhole-like morphology. Spectroscopic techniques like UV-vis and XPS reveal cobalt in +2 oxidation state and tetrahedrally coordinated. Liquid phase oxidation of ethylbenzene using TBHP (70 wt\%) as an oxidant shows that the catalysts are highly active, under solvent free conditions as well as under lower cobalt concentrations. Leaching studies performed by hot filtration experiments show that the cobalt catalysts prepared by hydrothermal methods are stable, while the grafted catalysts show the leaching of cobalt under the reaction conditions. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Co-HMS, ethylbenzene, HMS, hydrothermal, Oxidation}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.03.072}, author = {Bhoware, Shrikant S. and Shylesh, S. and Kamble, K. R. and Singh, A. P.} } @article { ISI:000237405000023, title = {Co-catalyzed reductive cyclization of azido and cyano substituted alpha,beta-unsaturated esters with NaBH4: enantioselective synthesis of (R)-baclofen and (R)-rolipram}, journal = {Tetrahedron}, volume = {62}, number = {20}, year = {2006}, month = {MAY}, pages = {4907-4916}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Sodium borohydride in combination with a catalytic amount of CoCl, has been found to be an excellent catalytic system in reductive cyclizations of suitably substituted azido and cyano groups of alpha,beta-unsaturated esters to afford gamma and delta-lactams in high yields. The process has been demonstrated for the enantioselective synthesis of (R)-baclofen, (R)-rolipram, and (R)-4-fluorophenylpiperidinone, a key intermediate for (-)-paroxetine. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {Asymmetric synthesis, cobalt chloride, gamma and delta-lactams, reduction, sodium borohydride}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.03.017}, author = {Paraskar, A. S. and Sudalai, A.} } @article { ISI:000207781603334, title = {COLL 613-Studies on the vapor-phase photo-oxidation of methanol over nano-size titania clusters dispersed in MCM-41 mesoporous silica}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {232}, year = {2006}, month = {SEP}, pages = {613-COLL}, publisher = {AMER CHEMICAL SOC}, type = {Meeting Abstract}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0065-7727}, author = {Kumar, Dharmesh and Bhattacharyya, Kaustav and Tripathi, Arvind and Varma, Salil and Gupta, Narendra M.} } @article { ISI:000242935400096, title = {Collapse transition in random copolymer solutions}, journal = {Macromolecules}, volume = {39}, number = {26}, year = {2006}, month = {DEC}, pages = {9621-9629}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We present dynamic Monte Carlo lattice simulations of the coil to globule collapse of single chains of a copolymer comprising monomer units, m and c, wherein there is a net attractive interaction between c-units. As the copolymer is cooled, the solvent quality becomes poorer, and the size of the chain decreases, driven by the net m-m and c-c attractions. The strong c-c attraction increases the overall solvophobicity of the chain relative to a homopolymer and, therefore, copolymers collapse more abruptly and at a higher effective temperature relative to homopolymers. We compare copolymers with homopolymers by rescaling collapse data to the same theta values to account for the effect of overall solvophobicity. This comparison shows that the behavior of copolymers and the corresponding homopolymers is identical as the chain size reduces from high temperatures to the theta value. Beyond theta, copolymers with c-content \< similar to 50\% collapse more abruptly than either homopolymer, after accounting for the difference in overall solvophobicity. Collapse of copolymers containing higher c-content is dominated entirely by the c-c attractions, and these chains behave qualitatively like homopolymers with a higher effective solvophobicity. Analysis of the chain structure during collapse provides a structural reason for the qualitative change in copolymer collapse at low c-content. When such copolymers are cooled below theta, the c-units rapidly aggregate to form an isotropic, compact core surrounded by an anisotropic solvated shell of m-units. The shell densifies as the copolymer is further cooled, but remains anisotropic for the finite chain sizes investigated.
}, issn = {0024-9297}, doi = {10.1021/ma061017q}, author = {Dasmahapatra, Ashok Kumar and Kumaraswamy, Guruswamy and Nanavati, Hemant} } @article { ISI:000236523100094, title = {Comment on {\textquoteleft}{\textquoteleft}Photoelectron spectroscopic investigation of nitrogen-doped titania nanoparticles{\textquoteright}{\textquoteright}}, journal = {Journal of Physical Chemistry B}, volume = {110}, number = {13}, year = {2006}, month = {APR}, pages = {7079-7080}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {1520-6106}, doi = {10.1021/jp054495w {\textperiodcentered}}, author = {Gopinath, Chinnakonda S.} } @article { ISI:000242285000001, title = {Comparative assessment of downstream processing options for lactic acid}, journal = {Separation and Purification Technology}, volume = {52}, number = {1}, year = {2006}, month = {NOV}, pages = {1-17}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The possibility of manufacturing a biodegradable polymer from lactic acid has led to extensive research in recovery of lactic acid produced by fermentation, by different downstream processing routes. This paper assesses the suitability of different downstream processing options such as reactive extraction, adsorption, electrodialysis, esterification and reactive distillation. It compares the costs of different process routes. The assessment indicates that the conventional precipitation of calcium lactate, followed by acidification, esterification and hydrolysis will be the most economical route although it generates large quantity of gypsum sludge. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Adsorption, electrodialysis, Esterification, Lactic acid, Reactive distillation, reactive extraction}, issn = {1383-5866}, doi = {10.1016/j.seppur.2006.03.015}, author = {Joglekar, H. G. and Rahman, Imran and Babu, Suresh and Kulkarni, B. D. and Joshi, Ajit} } @article {9}, title = {Comparative study of conductive polypyrrole and polyaniline coatings on electro-active papers}, journal = {Polymer Journal}, volume = {38}, number = {7}, year = {2006}, note = {IUPAC Symposium on Ionic Polymerization, Goa, INDIA, OCT 23-28, 2005}, month = {JAN}, pages = {659-668}, publisher = {IUPAC; Council Sci \& Ind Res; Ind Natl Sci Acad, Dept Sci \& Technol; Reliance Ind Ltd}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
{A comparative study is performed on the conductive polymer-coated electro-active paper (EAPap) actuators by aiming at improving the overall performance of the actuators. Conductive Polymer coated Electro-active Paper [
}, keywords = {conifer, glufosinate, particle bombardment, Pinus roxburghii, stable transformation}, issn = {0721-7714}, doi = {10.1295/polymj.PJ2005185}, author = {Kim, Jachwan and Deshpande, S. D. and Yun, Sungryul and Li, Qubo} } @article { ISI:000237716500031, title = {Comparison of flow structures in spacer-filled flat and annular channels}, journal = {Desalination}, volume = {191}, number = {1-3}, year = {2006}, note = {International Congress on Membranes and Membrane Processes, Seoul, SOUTH KOREA, AUG 21-26, 2005}, month = {MAY}, pages = {236-244}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Spacers are designed to create directional changes in the flow through membrane modules. Such secondary flow structures reduce concentration polarization and membrane fouling. Obviously, type of the spacer used in membrane modules strongly influences the resulting flow and therefore performance of the module. In this work, we have modeled detailed fluid dynamics of spacer filled channels by using the {\textquoteleft}unit cell{\textquoteright} approach. The validated computational fluid dynamics (CFD) model was used to evaluate performance of certain spacer shapes and compare the resulting fluid dynamics in flat and curved channels. The simulations show that fluid flow behavior in a spacer-filled flat and a spiral channel was not significantly different. This means that pressure drops and mass transfer coefficients measured in flat channels may provide adequate guidelines, which would also be valid for spiral-wound modules. The results presented in this work will have significant implications for identifying improved spacers with higher propensities to reduce fouling in membrane modules.
}, keywords = {annular channel, CFD, flat channel, membrane spacers}, issn = {0011-9164}, doi = {10.1016/j.desal.2006.03.003}, author = {Ranade, Vivek V. and Kumar, Anil} } @article { ISI:000237934700044, title = {Computational fluid dynamics simulation of the solid suspension in a stirred slurry reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {45}, number = {12}, year = {2006}, month = {JUN}, pages = {4416-4428}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A comprehensive computational fluid dynamics CFD model was developed in the present study to gain insight into the solid suspension in a stirred slurry reactor. The preliminary simulations highlighted the need for the correct modeling of the interphase drag force. A two-dimensional model problem was then developed using CFD to understand the influence of free stream turbulence on the particle drag coefficient. The proposed correlation was then incorporated in a two-fluid model (Euler-Euler) along with the standard k-epsilon turbulence model with mixture properties to simulate the turbulent solid-liquid flow in a stirred reactor. A multiple reference frame approach was used to simulate the impeller rotation in a fully baffled reactor. A computational model was mapped on to a commercial CFD solver FLUENT6.2 (of Fluent Inc., USA). The model predictions were compared with the published experimental data of Yamazaki et al. [Powder Technol. 1986, 48, 205] and Godfrey and Zhu [AIChE Symp. Ser. 1994, 299, 181]. The predicted results show reasonably good agreement with the experimental data. The computational model and results discussed in this work would be useful for extending the applications of CFD models for simulating large stirred slurry reactors.
}, issn = {0888-5885}, doi = {10.1021/ie050941q}, author = {Khopkar, A. R. and Kasat, Gopal R. and Pandit, A. B. and Ranade, V. V.} } @article {43212, title = {Concise asymmetric route to the antibiotic macrolides patulolide A and pyrenophorin}, journal = {Tetrahedron Letters}, volume = {47}, year = {2006}, month = {SEP}, pages = {6623-6626}, abstract = {In this letter, we describe an enantiospecific route to patulolide A and pyrenophorin through the synthesis of known protected seco acid precursors starting from commercially available (S)-ethyl lactate. (c) 2006 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2006.07.026}, author = {Rao, K. Srinivasa and Reddy, D. Srinivasa and Mukkanti, K. and Pal, Manojit and Iqbal, Javed} } @article { ISI:000243251100006, title = {Conducting polymer based hybrid nano-composites for enhanced corrosion protective coatings}, journal = {Progress in Organic Coatings}, volume = {57}, number = {4}, year = {2006}, month = {DEC}, pages = {332-336}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Hybrid composite coatings containing zinc oxide (ZnO) and polyaniline (PANI) as nano-additives dispersions were prepared with poly(vinyl acetate) (PVAc) as the major matrix. The steel plates dip-coated with these formulations were tested for corrosion protection by immersion in saline water over long periods. The Tafel plots for the determination of open circuit potential (OCP) and corrosion current (I-corr) were recorded. The coatings containing both ZnO and PANI showed improved corrosion resistance as compared to the single component coating. The I-corr values of PVAc-ZnO-PANI are found to be two-order magnitude lower than that of PVAc and PVAc-ZnO coatings. The results are explained on the basis of enhancement in barrier properties due to nano-particulate additives in PVAc-ZnO-PANI film together with the redox behaviour of PANI and protective oxide layer formation near the substrate. (C) 2006 Elsevier B.V All rights reserved.
}, keywords = {Coatings, corrosion, nano-additives, polyaniline, ZnO}, issn = {0300-9440}, doi = {10.1016/j.porgcoat.2006.09.012}, author = {Patil, R. C. and Radhakrishnan, S.} } @article { ISI:000239324300008, title = {Conformation and microenvironment of the active site of a low molecular weight 1,4-beta-D-glucan glucanohydrolase from an alkalothermophilic thermomonospora sp.: involvement of lysine and cysteine residues}, journal = {Biochemical and Biophysical Research Communications}, volume = {347}, number = {2}, year = {2006}, month = {AUG}, pages = {428-432}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Conformation and microenvironment at the active site of 1,4-beta-D-glucan glucanohydrolase was probed with fluorescent chemo-affinity labeling using o-phthalaldehyde. OPTA has been known to form a fluorescent isoindole derivative by cross-linking the proximal thiol and amino groups of cysteine and lysine. Modification of lysine of the enzyme by TNBS and of cysteine residue by PHMB abolished the ability of the enzyme to form an isoindole derivative with OPTA. Kinetic analysis of the TNBS and PHMB-modified enzyme suggested the presence of essential lysine and cysteine residues, respectively, at the active site of the enzyme. The substrate protection of the enzyme with carboxymethylcellulose (CMC) confirmed the involvement of lysine and cysteine residues in the active site of the enzyme. Multiple sequence alignment of peptides obtained by tryptic digestion of the enzyme showed cysteine is one of the conserved amino acids corroborating the chemical modification studies. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {1, 4-beta-D-glucan glucanohydrolase, active site microenvironment, Cysteine, lysine, OPTA, PHMB, Thermomonospora sp., TNBS}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2006.06.100}, author = {Jagtap, Sharmili and Rao, Mala} } @article {Li, title = {Conjugate addition of a silyl ketene acetal to alpha,beta-unsaturated lactones}, journal = {Synthetic Communications}, volume = {36}, number = {7}, year = {2006}, note = {International Conference on Nanomaterials (NANO 2005), Mepco Schlenk Engn Coll, Sivakasi, INDIA, JUL 13-15, 2005}, month = {AUG}, pages = {885-890}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
{Conjugate addition of a silyl ketene acetal [
}, keywords = {acetals, deprotection, MoO3/SiO2, protection}, issn = {0039-7911}, doi = {10.1080/00397910500466058}, author = {Gnaneshwar, Rudhramyna and Sivaram, S} } @article { ISI:000241168600010, title = {Constrained variational response to Fock-space multi-reference coupled-cluster theory: Some pilot applications}, journal = {Journal of Molecular Structure-Theochem}, volume = {768}, number = {1-3}, year = {2006}, month = {AUG}, pages = {91-96}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Fock space (FS) multi-reference (MR) coupled-cluster (CC) has been established to be state-of-the-art method for energies of open-shell radicals, ionized, electron attached states and excited states. Due to the multi-root nature of the method, the linear response of MRCC, however, is non-trivial. Constrained variation approach (CVA) makes it plausible to calculate response of the MRCC method efficiently. However, the approach is used for only one root of the problem at a time. In the present article, we make first implementation of the approach and present test results of dipole moments of small radicals. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {constrained variation, coupled-cluster, Dipole moment, Multi-reference, response}, issn = {0166-1280}, doi = {10.1016/j.theochem.2006.05.022}, author = {Manohar, Prashant Uday and Vaval, Nayana and Pal, Sourav} } @article { ISI:000238220900056, title = {Construction of conductive multilayer films of biogenic triangular gold nanoparticles and their application in chemical vapour sensing}, journal = {Nanotechnology}, volume = {17}, number = {9}, year = {2006}, month = {MAY}, pages = {2399-2405}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Metal nanoparticles are interesting building blocks for realizing films for a number of applications that include bio- and chemical sensing. To date, spherical metal nanoparticles have been used to generate functional electrical coatings. In this paper we demonstrate the synthesis of electrically conductive coatings using biologically prepared gold nanotriangles as the building blocks. The gold nanotriangles are prepared by the reduction of aqueous chloroaurate ions using an extract of the lemongrass plant (Cymbopogon flexuosus) which are thereafter assembled onto a variety of substrates by simple solution casting. The conductivity of the film shows a drastic fall upon mild heat treatment, leading to the formation of electrically conductive thin films of nanoparticles. We have also investigated the possibility of using the gold nanotriangle films in vapour sensing. A large fall in film resistance is observed upon exposure to polar molecules such as methanol, while little change occurs upon exposure to weakly polar molecules such as chloroform.
}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/9/055}, author = {Singh, Amit and Chaudhary, Minakshi V. and Sastry, Murali} } @article { ISI:000241906100003, title = {Construction of enantiopure pyrrolidine ring system via asymmetric [3+2]-cycloaddition of azomethine ylides}, journal = {Chemical Reviews}, volume = {106}, number = {11}, year = {2006}, month = {NOV}, pages = {4484-4517}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0009-2665}, doi = {10.1021/cr050011g}, author = {Pandey, Ganesh and Banerjee, Prabal and Gadre, Smita R.} } @article { ISI:000236960600013, title = {Contrasting solid-state structures of trithiocyanuric acid and cyanuric acid}, journal = {Crystal Growth \& Design}, volume = {6}, number = {4}, year = {2006}, month = {APR}, pages = {846-848}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Although trithiocyanuric acid (TTCA) has been investigated widely as an agent in the formation of molecular cocrystals, the crystal structure of pure TTCA has never been determined. Attempts to grow crystals of pure TTCA by crystallization from solution invariably lead to the formation of solvate cocrystals, and desolvation of these materials leads to polycrystalline powder samples. In this paper, we report the structure determination of pure TTCA directly from powder X-ray diffraction data, using the direct-space genetic algorithm technique for structure solution followed by Rietveld refinement. The structure presents interesting contrasts to that of the oxygen analogue, cyanuric acid, and alludes to the possibility that both compounds might be capable of exhibiting polymorphism.
}, issn = {1528-7483}, doi = {10.1021/cg0601094}, author = {Guo, F. and Cheung, E. Y. and Harris, Kenneth D. M. and Pedireddi, V. R.} } @article {42596, title = {Control of molecular structure in the generation of highly luminescent liquid crystalline perylenebisimide derivatives: synthesis, liquid crystalline and photophysical properties}, journal = {Journal of Physical Chemistry B}, volume = {110}, year = {2006}, month = {SEP}, pages = {20937{\textendash}20947}, type = {Article}, abstract = {
We report here, for the first time, the role of the molecular design on the liquid crystalline and solid-state photoluminescent properties of soluble and thermally stable liquid crystalline perylenebisimide derivatives. A new series of perylenebisimides were designed and developed for this purpose by adopting the stoichiometry-control approach, and amine-, hydroxyl-, ester-, and amide-functionalized molecules were synthesized. Various types of spacers with different lengths (C2 to C12), types (linear, cyclohexyl, and tricyclodecane), and end-capped by phenyl or tridodecyloxy gallic units were introduced in the perylenebisimide core. The molecules were completely characterized by NMR, FT-IR, SEC, and MALDI-TOF mass techniques. Thermal analysis revealed that the perylenebisimide derivatives were thermotropic liquid crystalline, and threadlike nematic phases were observed under a polarizing light microscope. The spacer length and the rigidity of the spacers play a major role in the liquid crystalline properties of the materials. In phenyl systems, the C6 chain with ester- and the C12 chain with amide-end-capped molecules showed a nematic phase, whereas the C6 chain with an amide end cap and their cyclic and tricyclic counterparts did not show any LC property. The introduction of a tridodecyloxy gallic unit induced the LC property in C12 and the cyclohexyl system; however, it failed to do so in the tricyclodecane molecule. The absorption properties of the molecules were almost unchanged by the structural variation; however, the emission quantum yield in solution and photoluminescent (PL) intensity in the solid state were significantly different. Though the gallic unit induced liquid crystallinity in the perylenebisimide core, the quantum yield and PL intensity are 4-5 times less compared to those of the simple phenyl-capped liquid crystalline system. Among the various types of spacers, the tricyclodecane induced strong molecular aggregates via π-stacking, which in turn increased the rigidity of the entire perylenebisimide core, resulting in the absence of liquid crystallinity and low luminescence compared to their linear and cyclohexyl analogues. The molecular aggregates were very stable even at very dilute concentration and also at high temperatures. The aggregates disappeared immediately upon addition of trifluoroacetic acid, thus confirming the strong hydrogen bonding in the aggregated states. In a nutshell, the present report demonstrates the importance of molecular design for introducing liquid crystalline phases in perylenebisimides and also the development of novel highly luminescent n-type π-conjugated material for application in optoelectronics.
}, doi = {10.1021/jp063943c}, author = {Jancy, B. and Asha, S. K.} } @article { ISI:000241508000039, title = {Control of stereoselectivity in 4-tert-butylphenol hydrogenation over a carbon-supported rhodium catalyst by carbon dioxide solvent}, journal = {Chemistry Letters}, volume = {35}, number = {9}, year = {2006}, month = {SEP}, pages = {1060-1061}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
cis-4-tert-Butylcyclohexanol was obtained with a high cis ratio (cis/(cis + trans) = 0.9) in the hydrogenation of 4-tert-butylphenol over a carbon-supported rhodium catalyst along with hydrochloric acid in supercritical carbon dioxide solvent.
}, issn = {0366-7022}, doi = {10.1246/cl.2006.1060}, author = {Hiyoshi, Norihito and Mine, Eiichi and Rode, Chandrashekhar V. and Sato, Osamu and Ebina, Takeo and Shirai, Masayuki} } @article { ISI:000237886100006, title = {Convenient chemoenzymatic synthesis of (1S,7aS)-1-hydroxy-5-oxo-4-(2 {\textquoteleft}-carboxyethyl)-7a-methyltetrahydro-indane - a key intermediate of steroids}, journal = {Journal of Molecular Catalysis B-Enzymatic}, volume = {40}, number = {1-2}, year = {2006}, month = {MAY}, pages = {38-43}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A porcine pancreatic lipase mediated enzymatic hydrolysis of (+/-)-1-acetoxy-5-oxo-4-(2 {\textquoteleft}-carbomethoxyethyl)-7a-methyltetrahydroindane (5b) furnished (1S,7aS)-1-acetoxy-5-oxo-4-(2 {\textquoteleft}-carbomethoxyethyl)-7a-methyltetrahydro-indane (9) and (1R,7aR)-1-hydroxy-5-oxo-4-(2 {\textquoteleft}-carbomethoxyethyl)-7a-methyltetrahydro-indane (8) with \> 99\% e.e. which on further chemical hydrolysis gave 1 and ent-1, key intermediates of steroids. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {chemoenzymatic method, Enzymatic hydrolysis, steroids, terpenoids}, issn = {1381-1177}, doi = {10.1016/j.molcatb.2006.01.037}, author = {Kalkote, Uttam R. and Purude, A. N. and Puranik, Vedavati G. and Gurjar, M. K.} } @article { ISI:000241435600021, title = {Convergent approach toward the synthesis of the stereoisomers of C-6 homologues of 1-deoxynojirimycin and their analogues: evaluation as specific glycosidase inhibitors}, journal = {Journal of Organic Chemistry}, volume = {71}, number = {22}, year = {2006}, month = {OCT}, pages = {8481-8488}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new and stereoselective strategy is developed to synthesize an appropriate template 9 to obtain C-6 homologues of 1-deoxyazasugars such as 1-deoxy-D-galactohomonojirimycin ( 5), 1-deoxy-4-hydroxymethyl-D-glucohomonojirimycin (6), and their enantiomers. The template 9 is also used to obtain neutral nonbasic pseudo-glyconolactam (8), C-4 amino, and methyl analogues of 1-deoxy- homonojirimycin as new analogues of 1- deoxyhomoazasugars. Compound 5 is found to be a potent and specific inhibitor to alpha-galactosidase (K-i = 1.7 mu M). Similarly compounds 6 (K-i = 28 mu M), ent-5 (K-i = 129 mu M), and ent-6 K-i = 12 mu M) exhibited specific inhibition of beta-glucosidase.
}, issn = {0022-3263}, doi = {10.1021/jo061455v}, author = {Pandey, Ganesh and Dumbre, Shrinivas G. and Khan, Mohammad Islam and Shabab, M.} } @article { ISI:000238963800023, title = {Copper-, ligand- and solvent-free synthesis of ynones by coupling acid chlorides with terminal alkynes}, journal = {Tetrahedron Letters}, volume = {47}, number = {31}, year = {2006}, month = {JUL}, pages = {5527-5530}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A general and efficient copper-, ligand- and solvent-free synthesis of ynones by coupling of a wide range of acid chlorides with terminal alkynes catalyzed by palladium(II) acetate at room temperature is reported. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {ligandless, neat, ynones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.05.166}, author = {Palimkar, Sanjay S. and Kumar, P. Harish and Jogdand, Nivrutti R. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, Kumar V.} } @article { ISI:000238298100027, title = {Co-precipitation technique for the preparation of ferroelectric BaBi2Ta2O9}, journal = {Materials Chemistry and Physics}, volume = {98}, number = {2-3}, year = {2006}, month = {AUG}, pages = {344-346}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A simple co-precipitation technique had been successfully applied for the preparation of pure ultrafine single phase BaBi2Ta2O9 (BBT). Ammonium hydroxide and ammonium oxalate were used to precipitate Ba2+, Bi3+ and Ta5+ cations simultaneously. No pyrochlore phase was found while heating powder at 800 degrees C and pure BaBi2Ta2O9 phase was found to be formed by X-ray diffraction. Particle size and morphology was studied by transmission electron spectroscopy (TEM). The room temperature dielectric constant at 1 kHz is 350. The ferroelectric hysteresis loop parameters of these samples were also studied. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Chemical synthesis, electronic material, ferroelectricity, Oxides}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.09.036}, author = {Dhage, S. R. and Pasricha, R. and Murugan, A. Vadivel and Ravi, V.} } @article { ISI:000234951400014, title = {Coprecipitation technique to prepare LiTaO3 powders}, journal = {Materials Letters}, volume = {60}, number = {8}, year = {2006}, month = {APR}, pages = {1047-1048}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple coprecipitation technique had been successfully applied for the preparation of pure ultrafine single phase LiTaO3 (LT). An aqueous mixture of ammonium carbonate and ammonium hydroxide was used to precipitate Li+ and Ta5+ cations as carbonate and hydroxide respectively. This precursor oil heating at 750 degrees C produces LT powders. For comparison, LT powders were also prepared by the traditional solid state method. The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). Particle size and morphology were studied by transmission electron spectroscopy (TEM). (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.10.074}, author = {Navale, SC and Gaikwad, A. B. and Ravi, V} } @article { ISI:000237439300005, title = {Coprecipitation technique to prepare NaNbO3 and NaTaO3}, journal = {Bulletin of Materials Science}, volume = {29}, number = {2}, year = {2006}, month = {APR}, pages = {123-125}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
A simple coprecipitation technique has been used successfully for the preparation of pure, ultrafine, single phases of NaNbO3 (NN) and NaTaO3 (NT). An alcoholic solution of ammonium carbonate and ammonium hydroxide was used to precipitate Na+ and Nb5+ (or Ta5+) cations under basic conditions as carbonate and hydroxide, respectively. On heating at 700 degrees C, these precursors produce respective products. For comparison, both NN and NT powders were also prepared by the traditional solid state method. The phase purity and lattice parameters were studied by powder X-ray diffraction (XRD). The particle size and morphology were studied by scanning electron microscopy (SEM).
}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, electronic materials, Oxides, X-ray methods}, issn = {0250-4707}, doi = {10.1007/BF02704604}, author = {Samuel, V and Gaikwad, A. B. and Ravi, V} } @article { ISI:000238866300004, title = {Coprecipitation technique to prepare Sr0.5Ba0.5Nb2O6}, journal = {Bulletin of Materials Science}, volume = {29}, number = {3}, year = {2006}, month = {JUN}, pages = {221-223}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
An aqueous mixture of ammonium oxalate and ammonium hydroxide was used to coprecipitate barium and strontium ions as oxalates and niobium ions as hydroxide under basic conditions. This precursor on calcining at 750 degrees C yielded Sr0.5Ba0.5Nb2O6 phase. This is a much lower temperature than that prepared by traditional solid state method (1000 degrees C) as reported for the formation of Sr0.5Ba0.5Nb2O6 (SBN). Transmission electron microscopic (TEM) investigations revealed that the average particle size was 80 nm for the calcined powders. The room temperature dielectric constant at I kHz was found to be 1100. The ferroelectric hysteresis loop parameters of these samples were also studied.
}, keywords = {Ceramics, Electron microscopy, ferroelectricity, Oxides, X-ray diffraction}, issn = {0250-4707}, doi = {10.1007/BF02706488}, author = {Murugan, A. Vadivel and Gaikwad, A. B. and Samuel, V. and Ravi, V.} } @article { ISI:000236996200020, title = {Crystalline phases in nylon-11: studies using HTWAXS and HTFTIR}, journal = {Macromolecules}, volume = {39}, number = {8}, year = {2006}, month = {APR}, pages = {2841-2848}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Nylon-11 was crystallized into different crystalline phases by appropriate methods. The chance in the structure during heating was monitored in situ by wide-angle X-ray scattering (WAXS). The alpha phase obtained by precipitating nylon-11 in 1,4-butanediol started transforming into the pseudohexagonal phase on heating, but the transformation was not fully completed before melting. The melt crystallized sample at 175 degrees C gave the pseudohexagonal phase, which transformed into the alpha{\textquoteright} phase on cooling to room temperature at about 100 degrees C. The d spacing of the 00 1 reflection also showed a change at the transition temperature. The melt-quenched sample showed the pseudohexagonal phase, which did not change during heating, but on cooling transformed into alpha{\textquoteright} phase. The gamma phase was obtained by casting nylon-11 in trifluoroacetic acid (TFA), and it changed into the pscudohexagonal phase at about 110 degrees C on heating. The d spacing of the 001 reflection depended on the way in which it was obtained. The studies have shown that nylon-11 is one of the few nylons that exhibit an extensive degree of polymorphism. High-temperature Fourier transform infrared spectroscopy (HTFTIR) studies revealed, apart from the conformational differences between various phases of nylon-11, some information on the formation of the gamma phase.
}, issn = {0024-9297}, doi = {10.1021/ma052597e}, author = {Nair, S. S. and Ramesh, C. and Tashiro, K.} } @article { ISI:000239581200006, title = {Crystallisation in polymer nanocomposites}, journal = {Materials Science and Technology}, volume = {22}, number = {7}, year = {2006}, month = {JUL}, pages = {797-806}, publisher = {MANEY PUBLISHING}, type = {Article}, address = {HUDSON RD, LEEDS LS9 7DL, ENGLAND}, abstract = {
Polymer nanocomposites are of interest as they exhibit extraordinary properties compared with the base polymer. The second phase dispersed in the polymer matrix can be carbon nanotubes, semi-conducting inorganic nanoparticles or layer silicates such as clay. Crystallisation in these materials is also of great interest. Polymers exhibit structures at various scales (e.g. lamella, unit cell and spherulites) and the presence of a second phase has a profound effect on crystallisation. General trends observed include acceleration/retardation of crystallisation, changes in spherulite morphology and, in a few cases, changes in the crystal structure. All these observations relate to the presence of a micrometre scale second phase. However, when the dimensions of the second phase are close to the chain dimensions, the effects on crystallisation become particularly interesting. An attempt is made in the present review to address the effect of a nanoscale second phase on aspects such as isothermal and non-isothermal crystallisation, spherulite growth, phase transformation and polymorphism.
}, keywords = {clay, crystallisation, Nanocomposites, polymer matrix composites}, issn = {0267-0836}, doi = {10.1179/174328406X101300}, author = {Jog, Jyoti Prakash} } @article { ISI:000240258600018, title = {Crystallization and phase transformation kinetics of poly(1-butene)/MWCNT nanocomposites}, journal = {Polymer}, volume = {47}, number = {18}, year = {2006}, month = {AUG}, pages = {6414-6421}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Poly(1-butene)/MWCNT nanocomposites were prepared by simple melt processing technique. Crystallization, crystal-to-crystal phase transformation and spherulitic morphology were studied using differential scanning calorimetry (DSC), wide angle X-ray diffraction (WAXD) and optical microscopy (OM). The non-isothermal crystallization exhibited higher values of Z, derived from Avrami theory and lower values of F(T) obtained from Avrami-Ozawa analysis, while the isothermal crystallization revealed a significant increase in crystallization temperatures and lower crystallization half times compared to pristine PB. The observed changes in the crystallization kinetics were ascribed to the enhanced nucleation of PB in the presence of MWCNT. The nucleating activity calculated from the non-isothermal crystallization data revealed that the MWCNTs provide an active surface for the nucleation of PB. The optical micrographs exhibited significantly smaller crystallites with disordered morphology for the nanocomposites compared to the well defined spherulitic morphology for pristine PB. The rate of phase transformation from kinetically favored tetragonal to thermodynamically stable hexagonal form was noticeably enhanced as evidenced by the reduction in the half time for phase transformation from 58 h to 25 h for PB reinforced with 7\% MWCNT. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {MWCNT, Phase transformation, poly(1-butene)}, issn = {0032-3861}, doi = {10.1016/j.polymer.2006.07.011}, author = {Wanjale, Santosh D. and Jog, Jyoti Prakash} } @article { ISI:000236470000018, title = {Crystallization and preliminary X-ray characterization of a thermostable low-molecular-weight 1,4-beta-D-glucan glucohydrolase from an alkalothermophilic thermomonospora sp.}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {62}, number = {4}, year = {2006}, month = {APR}, pages = {385-387}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
{Cellulases catalyze the hydrolysis of beta-1,4-glycosidic linkages within cellulose, the most abundant organic polymer on earth. The cellulase (TSC; EC 3.2.1.4) from an alkalothermophilic Thermomonospora sp. has a low molecular weight of 14.2 kDa. It is optimally active at 323 K and stable over the wide pH range of 5 - 9. Moreover, it has bifunctional activity against cellulose and xylan polymers. In this study, TSC was purified from the native source and crystallized by the hanging-drop vapour-diffusion method. The crystals belong to the orthorhombic space group P2(1)2(1)2(1), with unit-cell parameters a = 49.9
}, issn = {1744-3091}, doi = {10.1107/S1744309106007949}, author = {Manikandan, K. and Jagtap, Sharmili and Rao, M. and Ramakumar, S.} } @article { ISI:000236438200026, title = {Cu(I)-catalyzed cycloaddition of constrained azido-alkynes: access to 12- to 17-membered monomeric triazolophanes incorporating furanoside rings}, journal = {Tetrahedron Letters}, volume = {47}, number = {16}, year = {2006}, month = {APR}, pages = {2775-2778}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A strained monomeric 12-membered triazolophane was formed by the Cu(I)-catalyzed intramolecular cycloaddition of an azide to an alkyne having a constrained tether incorporating ail aromatic ring and a furanoside ring. Similar cycloadditions of azido-alkynes having ester, furanoside and peptidic tethers led to the formation of monomeric triazolophanes of higher ring sizes. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.02.068}, author = {Ray, A. and Manoj, Kochunnoonny and Bhadbhade, Mohan M. and Mukhopadhyay, R. and Bhattacharjya, A.} } @article { ISI:000239270000033, title = {Cu(OTf)(2) or Et3N-catalyzed three-component condensation of aldehydes, amines and cyanides: a high yielding synthesis of alpha-aminonitriles}, journal = {Tetrahedron Letters}, volume = {47}, number = {32}, year = {2006}, month = {AUG}, pages = {5759-5762}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Copper(II) triflate or Et3N have been found to catalyze, under ambient conditions, the addition of a cyanide anion, such as trimethylsilyl cyanide or acetone cyanohydrin, onto in situ generated imines, furnishing alpha-aminonitriles in excellent yields. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {aldehydes, aminonitriles, multicomponent reactions, organocatalyst, Strecker reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.06.008}, author = {Paraskar, Abhimanyu S. and Sudalai, Arumugam} } @article { ISI:000240186500039, title = {Cyanuric chloride: Trichloro-1,3,5-triazine}, journal = {Synlett}, number = {13}, year = {2006}, month = {AUG}, pages = {2156-2157}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, issn = {0936-5214}, doi = {10.1055/s-2006-948185}, author = {Haval, Kishan P.} } @article { ISI:000237126200010, title = {Cyclitol based metal complexing agents. preference for the extraction of lithium by myo-inositol based crown-4-ethers depends on the relative orientation of crown ether oxygen atoms}, journal = {Tetrahedron}, volume = {62}, number = {18}, year = {2006}, month = {MAY}, pages = {4360-4363}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
myo-Inositol derived crown-4-ethers in which two of the oxygen atoms in the crown ether moiety have different relative orientations were prepared. Metal picrate binding studies revealed that the crown ether having 1,3-diaxial orientation shows the highest selectivity for binding to lithium although the crown ether having 1,2-diequatorial orientation exhibited the highest binding constant for lithium picrate. These results suggest that relative binding affinity of metal ions to crown ethers can be tuned by varying the relative orientation of crown ether oxygen atoms. The relevance of these results to the previously observed regioselectivity during the O-substitution of myo-inositol orthoesters is discussed. (c) 2606 Elsevier Ltd. All rights reserved.
}, keywords = {crown ether, Cyclitol, Inositol, ligand, lithium, metal complex}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.02.075}, author = {Dixit, Shailesh S. and Shashidhar, M. S. and Devaraj, Subramanian} } @article { ISI:000237525300035, title = {Densities and heat capacities of the ammonia plus water plus NaOH and ammonia plus water plus KOH solutions}, journal = {Journal of Chemical and Engineering Data}, volume = {51}, number = {3}, year = {2006}, month = {MAY}, pages = {1020-1025}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Ammonia + water + sodium hydroxide and ammonia + water + potassium hydroxide mixtures were chosen as potential candidates for absorption chillers driven by low-temperature heat sources. Heat capacity and density were studied between (293.15 and 353.15) K at a constant pressure of 1.8 MPa for these solutions using a heat flux Calvet-type calorimeter and a vibrating-tube densimeter, respectively. Measured data were well-correlated with temperature and composition using simple polynomial equations. The relative deviations between the experimental and calculated values in the density and heat capacity measurements were 0.20 \% and 0.49 \% for NH3 + H2O + NaOH solutions and 0.10 \% and 0.36 \% for NH3 + H2O + KOH solutions, respectively. Also, two density prediction methods were checked using the experimental data. Previously, it was necessary to measure the density of ammonia and hydroxide aqueous solutions in similar conditions. The results showed that both methods are suitable for predicting the density of these solutions.
}, issn = {0021-9568}, doi = {10.1021/je050512z}, author = {Salavera, D. and Libotean, S. and Patil, K. R. and Esteve, X. and Coronas, Alberto} } @article {42756, title = {Derivatisation and transition metal chemistry of a new monophosphinite ligand: 2-(diphenylphosphinoxy)naphthyl}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {45}, year = {2006}, month = {JUN}, pages = {1390-1394}, type = {Article}, abstract = {
Reaction of monophosphinite ligand, 2-(diphenylphosphinoxy) naphthyl, C10H7PPh2 (1) with elemental sulphur or selenium gives the corresponding sulphide C10H7OP(S)Ph2 (2) or selenide C10H7OP(Se)ph2 (3) derivatives. Reaction of 1 with [CpRu(PPh3)2Cl] gives monosubstituted complex, [CpRu(C10H7OPPh2)(PPh3)C1] (4) as well as the disubstituted complex. [CpRu(C10H7PPh2)2Cl] (5) depending upon the reaction conditions. Treatment of 1 with [Rh(CO)2Cl]2 affords a trans-complex, [Rh(CO)(C10H7PPh2Cl] (6). Reaction of 1 with [Pd(COD)Cl2] results in the formation of an unexpected chlorobridged dipalladium complex: [Pd (PPh2O)( PPh2OH)(μ-Cl)]2 (7), whereas similar reaction with [pt(COD)Cl2] gives cis-[Pt(C10H7PPh2)2Cl2] (8) in good yield.
}, author = {Punji, Benudhar and Balakrishna, Maravanji S.} } @article { ISI:000241967600018, title = {Design and synthesis of fluconazole/bile acid conjugate using click reaction}, journal = {Tetrahedron}, volume = {62}, number = {48}, year = {2006}, month = {NOV}, pages = {11178-11186}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Novel fluconazole/bile acid conjugates were designed and their regioselective synthesis was achieved in very high yield via Cu(I) catalyzed intermolecular 1,3-dipolar cycloaddition. These new molecules showed good antifungal activity against Candida species. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {1, 2, 3-Triazole, Antifungal agent, bile acid, Click chemistry, fluconazole/bile acid conjugate}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.09.021}, author = {Pore, Vandana S. and Aher, Nilkanth G. and Kumar, Manish and Shukla, Praveen K.} } @article { ISI:000242940500015, title = {Development of a simple high-throughput screening protocol based on biosynthetic activity of Mycobacterium tuberculosis glutamine synthetase for the identification of novel inhibitors}, journal = {Journal of Biomolecular Screening}, volume = {11}, number = {8}, year = {2006}, month = {DEC}, pages = {1035-1042}, publisher = {SAGE PUBLICATIONS INC}, type = {Article}, address = {2455 TELLER RD, THOUSAND OAKS, CA 91320 USA}, abstract = {
A high-throughput screening protocol has been developed for Mycobacterium tuberculosis glutamine synthetase by quantitative estimation of inorganic phosphate. The K., values determined at pH 6.8 are 22 mM for L-glutamic acid, 0.75 mM for NH4Cl, 3.25 mM for MgCl2, and 2.5 mM for adenosine triphosphate. The K-m value for glutamine is affected significantly by the increase in pH of assay buffer. At the saturating level of the substrate, the enzyme activity at pH 6.8 and 25 degrees C is found to be linear up to 3 h. The reduction of enzyme activity is negligible even in presence of 10\% DMSO. The Z{\textquoteright} factor and signal-to-noise ratio are found to be 0.75 and 6.18, respectively, when the enzyme is used at 62.5 mu g/ml concentration. The IC50 values obtained at pH 6.8 for both L-methionine S-sulfoximine and DL-phosphothriacin are 500 mu M and 30 pM, respectively, which is lowest compared to the values obtained at other pH levels. The Beckman Coulter high-throughput screening platform was found to take 5 h 9 min to complete the screening of 60 plates. For each assay plate, a replica plate is used to normalize the data. Screening of 1164 natural product fractions/extracts and synthetic molecules from an in-house library was able to identify 12 samples as confirmed hits. Altogether, the validation data from screening of a small set of an in-house library coupled with Z{\textquoteright} and signal-to-noise values indicate that the protocol is robust for high-throughput screening of a diverse chemical library.
}, keywords = {Beckman Coulter, biosynthetic activity, Glutamine synthetase, high-throughput screening, Mycobacterium tuberculosis}, issn = {1087-0571}, doi = {10.1177/1087057106292798}, author = {Singh, Upasana and Sarkar, Dhiman} } @article { ISI:000239359100012, title = {Dielectric properties of BaTiO3 ceramics prepared from powders with bimodal distribution}, journal = {Journal of Industrial and Engineering Chemistry}, volume = {12}, number = {4}, year = {2006}, month = {JUL}, pages = {584-588}, publisher = {KOREAN SOC INDUSTRIAL ENGINEERING CHEMISTRY}, type = {Article}, address = {A-803 TWIN BLDG, 275-3, YANGJAE-DONG, SEOCHO-KU, SEOUL 137-130, SOUTH KOREA}, abstract = {
BaTiO3 (BT) powders having bimodal distribution were synthesized successfully through a simple classical solid-state reaction route using cheap BaCO3 and TiO2 as starting materials. These powders were further processed in the form of green pellets to obtain dense BT ceramics having densities of similar to 94 similar to 96 \% after sintering in air at 1350 and 1400 degrees C/4 h in air. The room temperature dielectric constant (epsilon(RT)) of similar to 1500 at 1 KHz frequency was increased to : 10000 at a Curie temperature (T-C) similar to 126 degrees C, showing a very sharp transition from a polar tetragonal to a non-polar cubic structure. The dielectric loss factor (tan 6) was similar to 1.5 \%. SEM studies revealed the presence of dense microstructures having a distribution of smaller grains (size: 2 similar to 3 gm) surrounded by larger grains (\>= 35 mu m). The ferroelectric hysteresis loop measurements on these samples gave values of spontaneous polarization (P-s) of similar to 12.0 mu C/cm(2), a coercive field (E-C) of similar to 2 similar to 2.5 kV/cm, and a dielectric strength (E-b) of similar to 48.0 kV/cm. DC-resistivity as high as 1.5 x 10(9) Omega-cm was obtained in these samples. All these results are quite comparable with reported ferroelectric/dielectric data and are discussed elaborately in this paper.
}, keywords = {BaTiO3, dielectric-ferroelectric properties, Microstructure, Sintering, stoichiometry}, issn = {1226-086X}, author = {Deshpande, S. B. and Potdar, H. S. and Patil, M. M. and Deshpande, V. V. and Khollam, Y. B.} } @article { ISI:000245010200010, title = {Differentially expressed gene transcripts in roots of resistant and susceptible chickpea plant (Cicer arietinum L.) upon Fusarium oxysporum infection}, journal = {Physiological and Molecular Plant Pathology}, volume = {68}, number = {4-6}, year = {2006}, month = {APR}, pages = {176-188}, publisher = {ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD}, type = {Article}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {
Differentially expressed genes in chickpea, (Cicer arietinum L.) during root infection by Fusarium oxysportan f sp. ciceri Racel, were identified using cDNA-RAPD and cDNA-AFLP approaches. The former employed decamer primers on cDNA template and revealed nine differentially expressed transcripts in the resistant-infected chickpea variety. Among the 2000 transcript-derived fragments (TDFs) screened by cDNA-AFLP, 273 were differentially expressed in chickpea roots during Fusaritan infection. Only 13.65\% of the TDFs were differentially regulated during pathogen challenge, while the other 86\% were expressed non-differentially during the process of pathogen infection in chickpea roots. Nineteen TDFs, which expressed differentially in the resistant-infected chickpea variety were cloned and sequenced. Two of these TDFs were similar to transcription factors like WRKY proteins and 14-3-3 proteins, while three TDFs represented the NBS-LRR-type gene sequences. Two TDFs had sequence identity to genes known to have function in defense. The RAPID TDF CaFRi60 showed sequence identity to gamma-glutamyl-cysteine synthetase. Among the TDFs examined by cDNA-AFLP, 19 were confirmed by Reverse Northern blot to be differentially expressed. The data confirms the effectiveness of the cDNA-AFLP technique in detecting differentially expressed genes during pathogenesis. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {cDNA-AFLP, Chickpea, Cicer arietinum, differentially expressed genes, fusarium oxysporum, Transcriptome}, issn = {0885-5765}, doi = {10.1016/j.pmpp.2006.10.003}, author = {Nimbalkar, Suhas B. and Harsulkar, Abhay M. and Giri, Ashok P. and Sainani, Mohini N. and Franceschi, Vincent R. and Gupta, Vidya S.} } @article { ISI:000240713700017, title = {Direct hydrothermal synthesis of highly ordered Sn-SBA-15 mesoporous materials}, journal = {Chemistry Letters}, volume = {35}, number = {8}, year = {2006}, month = {AUG}, pages = {860-861}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
Well-ordered Sn4+-incorporated mesoporous silica SBA-15 samples have been synthesized from tetraethyl orthosilicate (TEOS) and SnCl4 (Si/Sn = 114-15) using nonionic surfactants under a slightly higher pH medium (optimum H2O to HCl molar ratio) and characterized by XRD (an increase in lattice parameter), TEM (no SnO2 species) and UV-vis spectral (absorption at 211 nm) techniques to show that Sn4+ ions are in tetrahedral coordination in Sn-SBA-15.
}, issn = {0366-7022}, doi = {10.1246/cl.2006.860}, author = {Shah, Pallavi and Ramaswamy, Arumugamangalam V. and Ramaswamy, Veda} } @article { ISI:000238728500016, title = {Direct oxidation of H-2 to H2O2 over Pd-based catalysts: influence of oxidation state, support and metal additives}, journal = {Applied Catalysis A-General}, volume = {308}, year = {2006}, month = {JUL}, pages = {128-133}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The influence of oxidation state (reduced and oxidized), support (ZrO2, Ga2O3, CeO2, SiO2, H-beta, ThO2, CeO2-ZrO2, BPO4 and Pd/Al2O3) and precious metal additives (Au, Pt, Rh and Ru) on the direct H2O2 synthesis has been investigated over Pd-based catalysts. For all the supports investigated herein, the oxidized Pd catalysts showed significantly superior H2O2 yields as compared to their reduced counterparts. The effect of the Pd oxidation state was found to be more important for determining the H2O2 yields than the particle size and surface area properties of the catalyst system. An excellent correlation was observed between the H2O2 selectivity and H2O2 decomposition activity of the oxidized Pd catalysts. The oxidized Pd catalysts showed almost an order of magnitude lower H2O2 decomposition activity than the reduced catalysts. The H2O2 yield in the H-2 to H2O2 oxidation passed through a maximum with increase in the An concentration. Although a similar effect was also observed in case of Pt, Au was found to be a superior promoter for the direct H2O2 synthesis process. Addition of Rh and Ru was found to be detrimental for the H2O2 yields; these results can be explained in terms of increased H2O2 decomposition activity and/or enhanced H-2 to H2O reaction activity in their presence. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {decomposition, direct synthesis, H2O2, metal additives, oxidation state, Pd catalysts, supports}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.04.010}, author = {Choudhary, Vasant R. and Samanta, C. and Choudhary, Tushar V.} } @article { ISI:000241849000022, title = {Direct somatic embryogenesis and plant regeneration in Garcinia indica Choiss}, journal = {Current Science}, volume = {91}, number = {8}, year = {2006}, month = {OCT}, pages = {1074-1078}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {
Direct somatic embryogenesis without an intervening callus phase was induced from immature seeds of Gar- cinia indica Choiss. Woody plant medium supplemented with 6-benzyl amino purine (BAP) (4.44-22.19 mu m) alone or in combination with a-naphthaleneacetic acid (2.69 mu m) produces somatic embryos within a period of 2-3 weeks with 80\% frequency. Embryo induction was observed all over the explant surface. Origin of the embryo was confirmed histologically from sub-epidermal layer of the seed. Maturation of these embryos was achieved after 12 weeks of culture on a medium containing BAP (16.08 mu m) in combination with indole-3-acetic acid (2.85-5.71 mu m) and/or kinetin (4.65 mu m). About 75\% of the regenerated somatic embryos germinated into complete plantlets. The plantlets were acclimatized successfully with 92\% survival in greenhouse.
}, keywords = {Garcinia indica, guttifereae, seeds, somatic embryos}, issn = {0011-3891}, author = {Thengane, Shubhada Ratnakar and Deodhar, Swapna R. and Bhosle, S. V. and Rawal, S. K.} } @article { ISI:000239542900032, title = {Direct synthesis of nanocrystalline silver from the reaction between silver carboxylates and n-trioctylphosphine}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {6}, number = {7}, year = {2006}, month = {JUL}, pages = {2095-2102}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Neat n-Trioctylphosphine (TOP) has been used for the first ever time for reduction of silver nitrate and silver carboxylates (citrate, oleate, and myristate) under mild thermal reaction conditions. UV-visible absorption measurements of re-dispersible silver particles that were obtained by reduction of silver myristrate (product-IV) and silver nitrate (product-I) showed surface plasmon resonance absorption peak at 400 nm. The powder XRD pattern of fcc zero-valent silver resulted in diameters in the range of about 25-30 nm. TEM analysis showed particle diameter similar to that was observed by the XRD. FTIR spectroscopy revealed that the organics from the carboxylate group are retained by the nano-particles in case of product-IV however, presence of TOP is observed in product-I. It is found that when silver nitrate is reduced by TOP, spherical silver nano-particles with poor redispersity are formed but extended heating results in formation of long silver rods of micrometer size however, the re-dispersible nano-particles are easily formed when silver carboxylates are reduced by TOP.
}, keywords = {Chemical synthesis, Nanocrystalline, noble metal, XRD}, issn = {1533-4880}, doi = {10.1166/jnn.2006.339}, author = {Charan, Shobhit and Singh, Narendra and Khanna, P. K. and Patil, K. R.} } @article { ISI:000237477400077, title = {Directed organization of gold nanoclusters on silver nanowires: a step forward in heterostructure assembly}, journal = {Applied Physics Letters}, volume = {88}, number = {19}, year = {2006}, month = {MAY}, pages = {193103}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
We investigate the directed assembly of tridecylamine protected gold nanoclusters of 4-5 nm size on functionalized silver nanowires of 55-60 nm diameter and the electron transfer behavior of this integrated structure using transmission electron microscopy, non-contact atomic force microscopy, and scanning tunneling microscopy/spectroscopy. Linear I-V for bare silver nanowire suggests metallic behavior but high tunnel resistance indicates presence of insulating layer on the surface. Identical I-Vs obtained for isolated gold nanoparticle and heterostructure suggests that electron transport across nanowires in the latter is governed by gold nanoparticles in contrast to expected ballistic or diffusive transport along their length.(c) 2006 American Institute of Physics.
}, issn = {0003-6951}, doi = {10.1063/1.2200284}, author = {Sharma, J. and Vivek, J. P. and Vijayamohanan, K. P. and Singh, P. and Dharmadhikari, C. V.} } @article {42469, title = {DMAP-catalyzed reaction of beta-ketoesters and dimethyl acetylenedicarboxylate: an efficient synthesis of polysubstituted benzenes and biaryls}, journal = {Tetrahedron}, volume = {62}, year = {2006}, month = {SEP}, pages = {10136{\textendash}10140}, type = {Article}, abstract = {
A DMAP catalyzed tandem addition{\textendash}cyclization{\textendash}dehydration sequence involving dimethyl acetylenedicarboxylate and β-ketoesters leading to polysubstituted benzene/biaryl derivatives is presented.
}, doi = {10.1016/j.tet.2006.08.031}, author = {Nair, Vijay and Vidya, N. and Biju, Akkattu T. and Deepthi, Ani B. and Abhilash, K. G. and Eringathodi, Suresh} } @article { ISI:000239289800024, title = {Double intramolecular oxymercuration: stereoselective synthesis of highly substituted bis-tetrahydrofuran}, journal = {Tetrahedron Letters}, volume = {47}, number = {33}, year = {2006}, month = {AUG}, pages = {5943-5947}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Stereoselective intramolecular oxymercuration has been demonstrated as the key reaction for the efficient preparation of mono- and dihydroxylated unsymmetrical bis-tetrahydrofuran skeletons present in naturally occurring biologically active acetogenins using carbohydrates. These trans- and syn-selective intramolecular oxymercurations were explored in an enantio selective synthesis of the bis-tetrahydrofuran skeleton of mucoxin. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {acetogenins, Barton-McCombie deoxygenation, demercuration, intramolecular oxymercuration, unsymmetrical bis-tetrabydrofuran, Wittig reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.06.049}, author = {Mohapatra, Debendra K. and Mohapatra, Seetaram and Gurjar, Mukund K.} } @article { ISI:000242598200030, title = {Effect of a focusing electric field on the formation of arc generated carbon nanotubes}, journal = {Nanotechnology}, volume = {17}, number = {23}, year = {2006}, month = {DEC}, pages = {5895-5902}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
The effect of a focusing electric field on the formation of carbon nanotubes in a direct current arc-plasma is investigated. The hard deposits on the surface of the cathode are the main products, rich in multi-walled carbon nanotubes. It is seen that the focusing electric field has a distinct influence on the yield, purity and morphology of the nanotubes. The yield of the carbon nanotubes under the {\textquoteleft}focused field condition{\textquoteright} has been found to be higher than that derived from the normal electrode configuration. It has been observed that the deposition of carbonaceous soot on the reactor wall is considerably reduced on application of the focusing electric field. Transmission electron microscopy has been used to determine the morphology of the nanotubes. In addition, Raman spectroscopy has helped in distinguishing the graphene-like structures from the disordered carbon networks and helped in analysing the morphology of the tubes. Thermal analysis gave a qualitative estimation of the relative yield of carbon nanotubes within the cathode deposits and their thermal stabilities. The crystalline nature of the samples has been confirmed by x-ray diffraction analysis. The results clearly indicate that the focusing electric field confines the positively charged carbon precursors within the cathode-anode space causing high relative yield and purity and has a distinct effect on controlling the inner diameter of the as-synthesized carbon nanotubes.
}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/23/030}, author = {Karmakar, Soumen and Nagar, Harshada and Pasricha, R. and Seth, T. and Sathe, V. G. and Bhoraskar, S. V. and Das, A. K.} } @article { ISI:000240707800018, title = {Effect of annealing on properties of ZrSe2 thin films}, journal = {Journal of Crystal Growth}, volume = {294}, number = {2}, year = {2006}, month = {SEP}, pages = {254-259}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Thin films of ZrSe2 have been prepared on stainless steel and fluorine-doped tin oxide-coated glass substrates using electrodeposition technique at potentiostatic mode. Double-distilled water containing precursors Zr and Se with ethylene diamine tetra-acetic acid disodium salt as a complexing agent was used to obtain good quality deposits by controlling the rate of reaction. The preparative parameters such as concentration of bath, deposition time, bath temperature, pH of the bath and annealing temperature have been optimized using photoelectrochernical (PEC) technique. The films deposited at optimum preparative parameters are annealed at different temperatures. The film annealed at 200 degrees C shows more photosensitivity. The as-deposited and annealed films at 200 degrees C have been characterized by X-ray diffraction (XRD), energy dispersive analysis by X-ray (EDAX), optical absorption and scanning electron microscopy (SEM). The XRD analysis of the as-deposited and annealed films showed the presence of polycrystalline nature with hexagonal crystal structure. EDAX study reveals that deposited films are almost stoichiometric. Optical absorption study shows the presence of direct transition and band gap energies are found to be 1.5 and 1.38 eV, respectively, for the as-deposited and annealed films. SEM study revels that the grains are uniformly distributed over the surface of substrate for the as-deposited as well as annealed film, which indicates formation of good and compact type of crystal structure. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {band gap, EDAX, Electrodeposition, PEC, SEM, XRD, ZrSe2 thin films}, issn = {0022-0248}, doi = {10.1016/j.jcrysgro.2006.06.018}, author = {Hankare, P. P. and Asabe, M. R. and Kokate, A. V. and Delekar, S. D. and Sathe, D. J. and Mulla, Imtiaz S. and Chougule, B. K.} } @article { ISI:000238491100062, title = {Effect of calcination cycles on the preparation of tin oxide based traditional drug: studies on its formation and characterization}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {41}, number = {4}, year = {2006}, month = {JUN}, pages = {1473-1478}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The preparation method of metal based Indian traditional drugs involves conversion of a pure metal into its oxide by repeated high temperature calcination cycles. In this work, the effect of number of calcination cycles followed in the preparation of tin oxide based Ayurvedic drug, {\textquoteleft}vanga bhasma{\textquoteright} was studied by a systematic characterization of the drug samples after various calcination stages. It was found that tin was in the form of Sn4+ state and that the formation of SnO2 proceeded step-wise through Sn(OH)(4). (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {calcination cycles, Oxidation, oxidation state of tin, Particle size, tin oxide, vanga bhasma}, issn = {0731-7085}, doi = {10.1016/j.jpba.2006.03.032}, author = {Wadekar, M. P. and Rode, C. V. and Bendale, Y. N. and Patil, K. R. and Gaikwad, A. B. and Prabhune, Asmita} } @article { ISI:000238502400002, title = {Effect of calcination temperature on the catalytic activity of zirconia-supported heteropoly acids}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {253}, number = {1-2}, year = {2006}, month = {JUL}, pages = {8-15}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Zirconia-supported silicotungstic acid (15\% STA) catalyst with different calcination temperatures (600-850 degrees C) was prepared by suspending zirconium oxyhydroxide in methanol solution of STA followed by drying and calcination. These catalysts were characterized by XRD, FTIR pyridine adsorption and DRUV-vis spectroscopy. The catalysts showed both Bronsted as well as Lewis acidity and 15\% STA on zirconia calcined at 750 degrees C (15 SZ-750) had the highest Bronsted acidity. Characterization of 15 SZ-750 catalyst by Raman spectroscopy showed the presence of zirconia-anchored mono-oxotungstate as the major tungsten species present in this catalyst. These catalysts were used in benzoylation of veratrole with benzoic anhydride and 15 SZ-750 catalyst showed the highest activity. For catalyst with support calcined at different temperatures before HPA impregnation, catalytic activity decreases as the support calcination temperature increases due to the decrease in Bronsted acidity. Comparison of the catalytic activity of 15 SZ-750 with that of zirconia-supported phosphotungstic acid (15\%, calcined at 750 degrees C, 15 PZ-750) in benzoylation of veratrole with benzoic anhydride, acylation of anisole with acetic anhydride and in alkylation of diphenylether with 1-dodecene showed that 15 SZ-750 catalyst has higher activity and deactivation resistance due to its higher Bronsted acidity. The deactivated catalyst could be regenerated by calcination without appreciable loss in activity. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Acylation, Alkylation, Anisole, diphenylether, Phosphotungstic acid, Silicotungstic acid, veratrole, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.02.068}, author = {Devassy, Biju M. and Halligudi, Shivaraj B.} } @article { ISI:000238110300002, title = {Effect of organic additives on the mitigation of volatility of 1-nitro-3,3 {\textquoteleft}-dinitroazetidine (TNAZ): next generation powerful melt cast able high energy material}, journal = {Journal of Hazardous Materials}, volume = {134}, number = {1-3}, year = {2006}, month = {JUN}, pages = {8-18}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
1-Nitro-3,3{\textquoteright}-dinitroazetidine(TNAZ) was synthesized based on the lines of reported method. Thermolysis studies on synthesized and characterized TNAZ using differential scanning calorimetry (DSC) and hyphenated TG-FT-IR techniques were undertaken to generate data on decomposition pattern. FF-IR of decomposition products of TNAZ revealed the evolution of oxides of nitrogen and HCN containing species suggesting the cleavage of C/N-NO(2) bond accompanied with the collapse of ring structure. The effect of incorporation of 15\% additives namely, 3-amino-1,2,4-triazole(AT), 3,5-diamino-1,2,4-triazole (DAT), carbohydrazide (CHZ), 5,7-dinitrobenzofuroxan (DNBF), bis (2,2-dinitropropyl) succinate (BNPS), triaminoguanidinium nitrate (TAGN), 2,4,6-trinitrobenzoic acid (TNBA) and nitroguanidine (NQ) on the volatility of TNAZ was investigated by undertaking thermogravimetric analysis. The TG pattern brings out the potential of BNPS and TAGN as additives to mitigate the volatility of TNAZ. The influence of additives on thermal decomposition of pattern of TNAZ was also investigated by DSC. The DSC results indicated that the additives did not have appreciable effect on the melting point of TNAZ. Scanning electron microscopic (SEM) studies were carried out to investigate the effect of additives on morphology of TNAZ. This paper also discusses the possible mechanism involved in between the TNAZ and TAGN and BNPS. It appears that the formation of charge transfer complex formation between the TNAZ and TAGN/BNPS. The effect of addition of high explosives such as CL-20, HMX and RDX on thermo-physical characteristics of TNAZ is also reported in this paper. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {melt castable explosive, morphological structure, synthesis, Thermolysis, trinitroazetidine (TNAZ), volatility behavior}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2003.10.008}, author = {Talawar, M. B. and Singh, Alok and Naik, N. H. and Polke, B. G. and Gore, G. M. and Asthana, S. N. and Gandhe, B. R.} } @article { ISI:000240781100009, title = {Effect of spacer groups on the performance of MCM-41-supported platinum cluster-derived hydrogenation catalysts}, journal = {Journal of Catalysis}, volume = {242}, number = {2}, year = {2006}, month = {SEP}, pages = {332-339}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
MCM-41 was functionalized with (EtO)(3)SiCH2Cl, (MeO)(3)SiCH2CH2CH2Cl, and (CH3)Cl2SiCH2Cl. The functionalized materials were characterized by solid-state NMR (CPMAS, Si-29 and C-13) and XPS. The NMR data indicate that three new silicon environments were created by(EtO)(3)SiCH2Cl and (MeO)(3)SiCH2CH2CH2Cl, whereas with (CH3)Cl2SiCH2Cl, two new silicon environments were obtained. XPS results from Si 2p core level and the valence band from the material functionalized by (MeO)(3)Si(CH2)(3)Cl was found to be the same as that of the corresponding fresh catalyst (1a), in contrast to that of the materials functionalized by the other two silane reagents. After further functionalization with triethylamine, these materials were used as inorganic anion exchangers to support the cluster anion [Pt-12(CO)(24)](2-). Solid-state NMR (29Si, C-13, N-15) was used to establish the presence of the quaternary ammonium group in the cluster-supported species. Analogous materials were also created using fumed silica as the support, and all of the cluster-supported materials were tested as catalysts for the hydrogenation of methyl pyruvate, acetophenone, nitrobenzene, benzonitrile, ethylacetoacetate, 4-nitrotoluene, cyclohexanone, allyl alcohol, and styrene. The best activity was obtained for the catalyst that had MCM-41 as the support and chloropropyl as the spacer group. TEM showed that the supports and the spacer groups had observable effects on the platinum crystallite size of the catalysts. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {functionalized inorganic oxides, hydrogenation catalysts, MCM-41, platinum carbonyl cluster, Solid-state NMR, spacer groups, XPS}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.06.016}, author = {Maity, Niladri and Basu, Susmit and Mapa, Maitri and Rajamohanan, Pattuparambil R. and Ganapathy, Subramanian and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000238329100003, title = {Effect of thermal annealing on Fe40Ni38B18Mo4 thin films: modified Herzer model for magnetic evolution}, journal = {Journal of Physics D-Applied Physics}, volume = {39}, number = {10}, year = {2006}, month = {MAY}, pages = {1993-2000}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Magnetic properties of nano-crystalline soft magnetic alloys have usually been correlated to structural evolution with heat treatment. However, literature reports pertaining to the study of nano-crystalline thin films are less abundant. Thin films of Fe40Ni38B18Mo4 were deposited on glass substrates under a high vacuum of approximate to 10(-6) Torr by employing resistive heating. They were annealed at various temperatures ranging from 373 to 773K based on differential scanning calorimetric studies carried out on the ribbons. The magnetic characteristics were investigated using vibrating sample magnetometry. Morphological characterizations were carried out using atomic force microscopy (AFM), and magnetic force microscopy (MFM) imaging is used to study the domain characteristics. The variation of magnetic properties with thermal annealing is also investigated. From AFM and MFM images it can be inferred that the crystallization temperature of the as-prepared films are lower than their bulk counterparts. Also there is a progressive evolution of coercivity up to 573 K, which is an indication of the lowering of nano-crystallization temperature in thin films. The variation of coercivity with the structural evolution of the thin films with annealing is discussed and a plausible explanation is provided using the modified random anisotropy model.
}, issn = {0022-3727}, doi = {10.1088/0022-3727/39/10/002}, author = {Hysen, T. and Deepa, S. and Saravanan, S. and Ramanujan, R. V. and Avasthi, D. K. and Joy, Pattayil Alias and D Kulkarni, S. and Anantharaman, Maliemadom R.} } @article {42616, title = {Efficient amano PS-catalyzed chemo-, regio- and enantioselective hydrolysis of (+/-)-2,3-di-O-acetyl-2-C-methyl-D-erythrono-1,4-lactone: a facile preparation of bioactive natural products (-)-saccharinic acid lactone and potassium (2R,3R)-2,3,4-trihydr}, journal = {Tetrahedron-Asymmetry}, volume = {17}, year = {2006}, month = {MAR}, pages = {927-932}, type = {Article}, doi = {10.1016/j.tetasy.2006.02.025}, author = {Gogoi, Sanjib and N. P. Argade} } @article { ISI:000242137400025, title = {Efficient deprotection of dithioacetals to carbonyls using Oxone-KBr in aqueous acetonitrile}, journal = {Tetrahedron Letters}, volume = {47}, number = {48}, year = {2006}, month = {NOV}, pages = {8559-8561}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple and efficient method has been developed for the chemoselective dethioacetalization of dithioacetals to aldehydes and ketones using Oxone-KBr in aqueous acetonitrile at room temperature. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {deprotection, dethioacetalization, Oxone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.09.138}, author = {Desai, Uday V. and Pore, D. M. and Tamhankar, B. V. and Jadhav, Sushilkumar A. and Wadgaonkar, P. P.} } @article {42506, title = {Efficient protocol for genetic transformation and shoot regeneration of turmeric (Curcuma longa L.) via particle bombardment}, journal = {Plant Cell Reports}, volume = {25}, year = {2006}, month = {MAR}, pages = {112-116}, type = {Article}, doi = {10.1007/s00299-005-0033-1}, author = {Shirgurkar, M. V. and Naik, V. B. and von Arnold, S. and Nadgauda, R. S. and Clapham, D. H.} } @article { ISI:000237993500018, title = {Efficient, solvent-free method for the chemoselective synthesis of acylals from aldehydes and their deprotection catalyzed by silica sulfuric acid as a reusable solid acid catalyst}, journal = {Catalysis Communications}, volume = {7}, number = {7}, year = {2006}, month = {JUL}, pages = {508-511}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
An efficient method has been developed for the chemoselective synthesis of acylals from aldehydes and acetic anhydride in the presence of silica sulfuric acid as a reusable solid acid catalyst under solvent-free conditions. Ketones are found to remain unaffected under the reaction conditions. The deprotection of acylals has also been achieved using SSA in methanol medium. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Acylals, aldehydes, Chemoselective, protection and deprotection silica sulfuric acid}, issn = {1566-7367}, doi = {10.1016/j.catcom.2005.12.028}, author = {Desai, Uday V. and Thopate, T. S. and Pore, D. M. and Wadgaonkar, P. P.} } @article {42586, title = {Electrical bistability in a xanthene class molecule: conduction mechanisms}, journal = {Applied Physics Letters}, volume = {89}, year = {2006}, month = {OCT}, pages = {Article No: 142110}, abstract = {
The author study conduction mechanism in two conducting states of a bistable device at range. They find that in the electrical bistable devices, electrical switching is associated with a change in the conduction mechanism. Device current in the low-conducting state follows an injection-limited mechanism. The current in the high-conducting state conforms a bulk-dominated mechanism, namely, space-charge limited conduction with an exponential distribution of traps. The bistability has an associated memory phenomenon. The devices exhibit read-only and random-access memory applications for several hours.
}, doi = {10.1063/1.2358946}, author = {Rath, Arup Kumar and Sahu, Satyajit and Pal, Amlan J.} } @article { ISI:000238030200026, title = {Electrochemical organization of monolayer protected gold nanoclusters on single-walled carbon nanotubes: significantly enhanced double layer capacitance}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {6}, number = {5}, year = {2006}, month = {MAY}, pages = {1387-1391}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
This paper reports a novel electrochemical route for anchoring monolayer protected gold nanoclusters (size 8 +/- 0.2 nm) on single-walled carbon nanotube bundles, resulting in the formation of hybrid materials. Monolayer protected gold nanoclusters prepared by modified Brust synthesis route were organized on SWNT bundles by cycling-the potential in dichloromethane between -1 to +1 V at a scan rate of 50 mV/s. Monolayer protected nanoclusters in electrolyte solutions possess ionic space charge around them (double layer charging), making them suitable for organization on nanotube bundles, by tuning the electrostatic interactions. More significantly, analysis of the double layer capacitance of these hybrid materials shows almost ten times increase in capacitance compared to that of bare SWNT bundles. We believe that these hybrid materials are potentially useful in nanoelectronics.
}, keywords = {double layer capacitance, double layer charging, hybrid materials, monolayer protected gold nanoclusters, single-walled carbon nanotubes}, issn = {1533-4880}, doi = {10.1166/jnn.2006.323}, author = {Mahima, Subhramanyam and Chaki, N. K. and Sharma, J. and Kakade, Bhalchandra A. and Pasricha, R. and Rao, A. M. and Vijayamohanan, K.} } @article { ISI:000244831800017, title = {Electrochemical polymerization of o-anisidine on low carbon steel from aqueous salicylate solution: corrosion protection study}, journal = {Surface \& Coating Technology}, volume = {201}, number = {6}, year = {2006}, month = {DEC}, pages = {2240-2247}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The electrochemical polymerization of o-anisidine was carried out on low carbon steel from an aqueous salicylate medium using cyclic voltammetry. The resulting poly(o-anisidine) coatings were uniform and adherent to the steel substrates. These coatings were characterized by cyclic voltammetry, LTV-visible absorption spectroscopy, Fourier transform infrared spectroscopy, X-ray diffraction measurements and scanning electron microscopy. The ability of the poly(o-anisidine) coatings to protect low carbon steel in an aqueous 3\% NaCl was evaluated by the potentiodynamic polarization measurements. The potentiodynamic polarization measurement reveals that the poly(o-anisidine) coating increases the corrosion potential and reduces the corrosion rate of low carbon steel almost by a factor of 15. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Conducting polymer coatings, corrosion protective coatings, cyclic voltammetry, Electrochemical polymerization, low carbon steel, poly(o-anisidine) coatings}, issn = {0257-8972}, doi = {10.1016/j.surfcoat.2006.03.028}, author = {Wankhede, M. G. and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000243335700022, title = {Electrochemical synthesis of corrosion protective polyaniline coatings on mild steel from aqueous salicylate medium}, journal = {Science and Technology of Advanced Materials}, volume = {7}, number = {7}, year = {2006}, month = {OCT}, pages = {732-744}, publisher = {NATL INST MATERIALS SCIENCE}, type = {Article}, address = {NATL INST MATERIALS SCIENCE, 1-2-1 SENGEN, TSUKUBA-CITY, IBARAKI, 305-0047, JAPAN}, abstract = {
Strongly adherent polyaniline coatings were electrochemically synthesized on mild steel from an aqueous salicylate medium. These coatings were characterized by cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy. The extent of the corrosion protection offered by polyaniline coatings to mild steel was investigated in aqueous 3\% NaCl solution, 0.01 M Na2SO4 Solution and in aqueous solutions of NaCl + Na2SO4 with different concentrations by potentiodynamic polarization technique and electrochemical impedance spectroscopy (EIS). The results of these studies reveal that the corrosion resistance of the polyaniline-coated mild steel is significantly higher and the corrosion rate is considerably lower than that of uncoated steel. (c) 2006 Published by NIMS and Elsevier Ltd.
}, keywords = {Conducting polymer coatings, corrosion protective coatings, cyclic voltammetry, Electrochemical polymerization, polyaniline coatings mild steel}, issn = {1468-6996}, doi = {10.1016/j.stam.2006.09.014}, author = {Pawar, Pritee and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000235860500014, title = {Electron beam induced surface cross-linking of functional monomers coated on silicon substrate}, journal = {Materials Letters}, volume = {60}, number = {11}, year = {2006}, month = {MAY}, pages = {1360-1365}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A 3: 1 composition of functional monomer: multifunctional acrylate was spin coated and later cross-linked under the influence of keV electron irradiation on the surface of silicon to generate a surface-anchored cross-linked network bearing functional moieties. Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) as well as wetting angle measurements were used for the analysis of functional monomer cross-linked surfaces. Results of the surface reconstruction of surfaces and electron irradiated on coated silicon wafers reveal that long-term hydrophilic surfaces can be achieved. Thus, the surface architecture can be favorably manipulated by using this remarkable technique with a Suitable combination of functional monomers and cross-linkers. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {electron beam irradiation, FTIR, Polymers, surface modification, XPS}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.11.029}, author = {Mahapatra, S. K. and Bodas, Dhananjay S. and Mandale, A. B. and Gangal, S. A. and Bhoraskar, Vasant N.} } @article { ISI:000242601000036, title = {Electron transfer behavior of monolayer protected nanoclusters and nanowires of silver and gold}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {6}, number = {11}, year = {2006}, note = {International Conference on Nanoscience and Nanotechnology, Gwangju Inst Sci \& Technol, Gwangju, SOUTH KOREA, NOV 10-12, 2005}, month = {NOV}, pages = {3464-3469}, publisher = {Gwangju Jeonnam Nano Technol Union}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Understanding the electron transfer behavior of nanometer sized, both metallic and semiconducting particles and wires is important due to the fundamental interest in size and shape dependent electronic properties and also because of its applications in nano-electronic devices like single electron transistors and molecular switches. Monolayer protected nanoclusters enable one simple and elegant method of synthesis of these types of metallic and semiconducting materials using interfacial chemistry as has been successfully used in several applications ranging from catalysis to molecular electronics. The success of this type of nanostructured materials is due in part to the well known protecting/stabilizing action of the ligands (also known as surface passivating/capping agents), which facilitate the synthesis and processing of these hydrophobic colloids in solution form. The present article discusses the electron transfer behavior of silver nanowires and nanoparticles with varied sizes. In particular, we have investigated the electrochemical properties of silver nanowires (diameter 70 nm, length several micrometers) and compared with the behavior of similar relatively larger sized nanoparticles (size 40 nm). A critical analysis of the redox behavior of silver nanowires and nanoparticles is presented in aqueous medium under various electrolytic conditions along with a comparison of analogous properties of smaller sized (2-7 nm) silver and gold nanoclusters.
}, keywords = {cyclic voltammetry, nanoclusters/nanoparticles, Nanowires}, issn = {1533-4880}, doi = {10.1166/jnn.2006.035}, author = {Sharma, Jadab and Vivek, J. P. and Vijayamohanan, Kunjukrishna P.} } @article { ISI:000237417400035, title = {Enantio- and diastereocontrolled total synthesis of (+)-boronolide}, journal = {Journal of Organic Chemistry}, volume = {71}, number = {10}, year = {2006}, month = {MAY}, pages = {3935-3941}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An efficient stereoselective total synthesis of (+)-boronolide from valeraldehyde is described. The key steps include a Sharpless asymmetric hydroxylation, a chelation-controlled vinyl Grignard reaction followed by a Sharpless asymmetric epoxidation, hydrolytic kinetic resolution, and a ring-closing metathesis.
}, issn = {0022-3263}, doi = {10.1021/jo0603781}, author = {Kumar, P. and Naidu, S. V.} } @article { ISI:000238111400016, title = {Enantioselective synthesis of (2R,3R)- and (2S,3S)-beta-hydroxyornithine}, journal = {Tetrahedron Letters}, volume = {47}, number = {25}, year = {2006}, month = {JUN}, pages = {4167-4169}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient and short synthesis of (2R,3R)- and (2S,3S)-beta-hydroxyornithine 1a-b is described using Sharpless asymmetric dihydroxylation and regioselective nucleophilic opening of a cyclic sulfite as the key steps. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.04.055}, author = {Pandey, Satyendra Kumar and Kumar, Pradeep} } @article { ISI:000237937900022, title = {Enantioselective synthesis of (-)-cytoxazone and (+)-epi-cytoxazone, novel cytokine modulators via sharpless asymmetric epoxidation and L-proline catalyzed mannich reaction}, journal = {Tetrahedron}, volume = {62}, number = {24}, year = {2006}, month = {JUN}, pages = {5756-5762}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short and efficient enantioselective synthesis of (-)-cytoxazone and its stereoisomer (+)-epi-cytoxazone, novel cytokine modulators, has been described with good yield and enantioselectivity. Ti-catalyzed Sharpless asymmetric epoxidation of allyl alcohol and L-proline catalyzed three-component Mannich reaction constitute the key steps in introducing stereogenicity into the molecule. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {aminohydroxylation, Asymmetric synthesis, epoxidation, Mannich reaction, Oxidation, Ozonolysis}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.03.079}, author = {Paraskar, Abhimanyu S. and Sudalai, Arumugam} } @article { ISI:000239522700020, title = {Enantioselective synthesis of (S,S)-ethambutol using proline-catalyzed asymmetric alpha-aminooxylation and alpha-amination}, journal = {Tetrahedron-Asymmetry}, volume = {17}, number = {11}, year = {2006}, month = {JUL}, pages = {1738-1742}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient enantioselective synthesis of (S,S)-ethambutol, a tuberculostatic antibiotic, has been achieved in 99\% ee via both proline-catalyzed alpha-aminooxylation and alpha-amination of n-butyraldehyde as the key step. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2006.06.011}, author = {Kotkar, Shriram P. and Sudalai, Arumugam} } @article { ISI:000239179300033, title = {Enantioselective synthesis of (+)-(S,S)-reboxetine}, journal = {Synlett}, number = {11}, year = {2006}, month = {JUL}, pages = {1771-1773}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
An efficient enantioselective synthesis leading directly to (+)-(S,S)-reboxetine has been described from commercially available trans-cinnammyl bromide using Sharpless asymmetric dihydroxylation as the key step.
}, keywords = {coupling, Dihydroxylation, Hydrogenation, reboxetine, trans-cinnamyl bromide}, issn = {0936-5214}, doi = {10.1055/s-2006-944210}, author = {Siddiqui, Shafi A. and Narkhede, Umesh C. and Lahoti, Rajgopal J. and Srinivasan, Kumar V.} } @article {42468, title = {Engaging zwitterions in carbon-carbon and carbon-nitrogen bond- forming reactions: a promising synthetic strategy}, journal = {Accounts of Chemical Research}, volume = {39}, year = {2006}, month = {JUN}, pages = {520{\textendash}530}, type = {Article}, abstract = {
An Account of carbon-carbon and carbon-nitrogen bond-forming reactions mediated by zwitterions generated by the addition of organic nucleophiles to activated unsaturated systems highlighting their synthetic potential is presented.
}, doi = {10.1021/ar0502026}, author = {Nair, Vijay and Menon, Rajeev S. and Sreekanth, A. R. and Abhilash, N. and Biju, Akkattu T.} } @article { ISI:000236770900036, title = {Enhanced magnetostrictive properties of Mn substituted cobalt ferrite Co1.2Fe1.8O4}, journal = {Journal of Applied Physics}, volume = {99}, number = {7}, year = {2006}, month = {APR}, pages = {Article No. 107901}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
The effect of substitution of Fe and Co by Mn on the magnetostrictive properties of the cobalt ferrite Co1.2Fe1.8O4 has been studied and compared. The studies on Co1.2-xMnxFe1.8O4 and Co1.2Fe1.8-xMnxO4 (0 \<= x \<= 0.4) showed a marked dependence of magnetostriction on the substitution of both Fe and Co by Mn. Higher magnetostriction is obtained for the substitution of Co by Mn whereas the magnetostriction is reduced substantially on the substitution of Fe by Mn. Higher magnetostriction at low magnetic fields and enhancement of the strain ratio have been observed for the substitution of Co by Mn. (c) 2006 American Institute of Physics.
}, issn = {0021-8979}, doi = {10.1063/1.2183356}, author = {Bhame, Shekhar D. and Joy, Pattayil Alias} } @article { ISI:000242988100022, title = {Enhancement of gas permeation properties of polybenzimidazoles by systematic structure architecture}, journal = {Journal of Membrane Science}, volume = {286}, number = {1-2}, year = {2006}, month = {DEC}, pages = {161-169}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Systematic structural variations in thermally stable polybenzimidazole (PBI) are explored that led to a substantial improvement in gas permeation properties. Physical property determinations revealed that incorporation of hexafluoroisopropylidene and tert-butyl groups led to amorphous polymers with slightly lowered thermal stability and decreased chain packing. PBI based on 4,4{\textquoteright}-(hexafluoroisopropylidene)bis(benzoic acid) and 5-tert-butyl isophthalic acid exhibited 10-40 times higher permeability, while changes in selectivities for industrially important pairs ranged from modest decrease of 75\% or less than that of PBI based on isophthalic acid. The O-2/N-2 selectivity was almost doubled in case of PBI based on 5-tert-butyl isophthalic acid. Gas diffusion coefficients were estimated from solubility and permeability coefficient determinations. These, along with dual-mode sorption parameters estimated from sorption isotherms provided an insight towards variations in permeation behavior. The permeability predictions for heavier gases in isophthalic acid based PBI correlated well with physical properties. The occurrence of permeation characteristics (especially P-H2 and P-H2/P-N2) near Robeson{\textquoteright}s upper bound, high thermal stability and good solvent solubility achieved by these structural modifications depicted the potential of this family of polymers as gas separation membrane materials. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Diffusion, Gas permeation, Polybenzimidazole, Sorption, thermal stability}, issn = {0376-7388}, doi = {10.1016/j.memsci.2006.09.030}, author = {Kumbharkar, Santosh C. and Karadkar, Prasad B. and Kharul, Ulhas K.} } @article { ISI:000239555500035, title = {Enhancing cross-peak intensity in 2D-SLF spectroscopy - the role of equilibrium carbon magnetization in cross-polarization experiment}, journal = {Chemical Physics Letters}, volume = {426}, number = {4-6}, year = {2006}, month = {AUG }, pages = {422-425}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A modification to the standard Hartmann-Hahn cross-polarization experiment has been proposed in which the initial 90 degrees pulses are applied both on the I and S spins. The inclusion of the available equilibrium polarization in the static magnetic field for the S spins is shown to have a beneficial effect for the 2D-SLF experiment, contributing to an increase in the cross-peak intensity and hence to a better resolution of the dipolar cross-peaks. (c) 2006 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2006.04.069}, author = {Das, Bibhuti B. and Ajithkumar, Thalasseril G. and Ramanathan, K. V.} } @article { ISI:000239718900005, title = {Epoxidation of indene and cyclooctene on nanocrystalline anatase titania catalyst}, journal = {Topics in Catalysis}, volume = {38}, number = {4}, year = {2006}, note = {19th Meeting of the North-American-Catalysis-Society (NAM), Philadelphia, PA, MAY 22-27, 2005}, month = {AUG}, pages = {251-259}, publisher = {N Amer Catalysis Soc}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Nanocrystalline anatase titania samples of different crystallite sizes were prepared by sol gel method using ultrasonication and calcination at different temperatures. The calcined samples were treated with H2O2 in order to study the role of surface hydroxyl groups present on titania in generating reactive oxygen species responsible for the epoxidation reaction. The crystallite size of the calcined samples increased from 4 to 18 nm as the calcination temperature increased from 473 to 773 K, respectively. More uniform distribution/dispersion of the nanoparticles (SEM), marginally higher surface area, better thermal stability and phase purity are some of the advantages of preparation of nanocrystalline TiO2 by using ultrasonication. EPR spectral data on the H2O2-treated samples confirmed the presence of superoxide radical species. The two distinct UV bands observed at 400 and 450 nm are assigned to charge transfer of peroxide (O-2 2-) to Ti. FT-IR spectral data show that the surface hydroxyl groups are the active sites in the generation of reactive oxygen species. The catalytic activity was evaluated in a series of epoxidation reactions using indene and cyclooctene as substrates and aqueous H2O2 as oxidant. The activity was found to decrease with increase in the calcination temperature of the samples, obviously due to an increase in crystallite size and a decrease in surface hydroxyl groups. The nanoparticle titania samples show better conversion and selectivity than the standard titania (Degussa P-25). The kinetic studies revealed that the reaction followed a pseudo first order kinetics in excess of H2O2.
}, keywords = {cyclooctene epoxidation, epoxidation of indene, nanocrystalline anatase titania, superoxide radical on titania}, issn = {1022-5528}, doi = {10.1007/s11244-006-0023-8}, author = {Ramaswamy, Veda and Awati, Preeti and Ramaswamy, A. V.} } @article { ISI:000241767100009, title = {Eu3+ doped lanthanum oxide nanowhiskers: microwave hydrothermal synthesis, characterization and photoluminescence properties}, journal = {Journal of Physics D-Applied Physics}, volume = {39}, number = {18}, year = {2006}, month = {SEP}, pages = {3974-3977}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
We report here a straightforward and rapid microwave - hydrothermal route providing an easy synthesis of Eu3+ doped La2O3 nanowhiskers. The nanostructured Eu3+ doped La2O3 is characterized by x-ray diffraction studies, scanning electron microscopy and photoluminescence (PL). The emission spectrum shows transitions from the excited 5D(0) state to F-7(J) (J = 0, 1, 2, 3, 4) levels of the Eu3+ ion. The most intense peak around 611 nm is due to the D-5(0) -\> F-7(2) transition, expected from the Judd-Ofelt selection rules. PL spectra measurements demonstrate that the lanthanum oxide nanowhisker shows higher PL intensity.
}, issn = {0022-3727}, doi = {10.1088/0022-3727/39/18/008}, author = {Murugan, A. Vadivel and Viswanath, Annamraju Kasi and Kakade, Bhalchandra A. and Ravi, V. and Saaminathan, V.} } @article { ISI:000239375900008, title = {Eulerian-lagrangian simulations of unsteady gas-liquid flows in bubble columns}, journal = {International Journal of Multiphase Flow }, volume = {32}, number = {7}, year = {2006}, month = {JUL}, pages = {864-885}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We studied the dynamics of gas-liquid flows in a rectangular bubble column using Eulerian-Lagrangian simulations. Three-dimensional, unsteady simulations were performed to simulate the dynamic characteristics of the oscillating bubble plume. The effect of superficial gas velocity and aerated liquid height-to-column width (HI K) ratio on the dynamic and time-averaged flow properties was studied and the simulated results were validated using wall pressure and voidage fluctuation measurements. The effect of lift force and numerical diffusion on the dynamic and time-averaged properties is discussed in detail. Further, the results obtained using the Eulerian-Lagrangian simulations were compared with the Eulerian-Eulerian simulations. The bubble scale information, which is otherwise lost in the Eulerian-Eulerian simulations, was validated using the voidage fluctuation measurements. Such experimentally validated Eulerian-Lagrangian models will be useful for the simulation of mass transfer and reactions in bubble columns. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {Bubble column, CFD, Dynamics, Eulerian-Eulerian simulations, Eulerian-Lagrangian simulations, gas-liquid flow}, issn = {0301-9322}, doi = {10.1016/j.ijmultiphaseflow.2006.02.017}, author = {Buwa, Vivek V. and Deo, Dhanannjay S. and Ranade, Vivek V.} } @article { ISI:000241157000039, title = {Evidence for intergranular tunnelling in polyaniline passivated alpha-Fe nanoparticles}, journal = {Nanotechnology}, volume = {17}, number = {18}, year = {2006}, month = {SEP}, pages = {4765-4772}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Nanoparticles are of immense importance both from the fundamental and application points of view. They exhibit quantum size effects which are manifested in their improved magnetic and electric properties. Mechanical attrition by high energy ball milling (HEBM) is a top down process for producing fine particles. However, fineness is associated with high surface area and hence is prone to oxidation which has a detrimental effect on the useful properties of these materials. Passivation of nanoparticles is known to inhibit surface oxidation. At the same time, coating polymer film on inorganic materials modifies the surface properties drastically. In this work a modified set-up consisting of an RF plasma polymerization technique is employed to coat a thin layer of a polymer film on Fe nanoparticles produced by HEBM. Ball-milled particles having different particle size ranges are coated with polyaniline. Their electrical properties are investigated by measuring the dc conductivity in the temperature range 10-300 K. The low temperature dc conductivity (I-V) exhibited nonlinearity. This nonlinearity observed is explained on the basis of the critical path model. There is clear-cut evidence for the occurrence of intergranular tunnelling. The results are presented here in this paper.
}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/18/039}, author = {Sunny, Vijutha and Narayanan, T. N. and Sajeev, U. S. and Joy, Pattayil Alias and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000242639200001, title = {Evolution of the stereoselective pinacol coupling reaction}, journal = {Tetrahedron}, volume = {62}, number = {52}, year = {2006}, month = {DEC}, pages = {12137-12158}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, keywords = {diastereoselective, enantioselective., pinacol coupling, reductive dimerization}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.09.002}, author = {Chatterjee, A. and Joshi, Navalkishore N.} } @article { ISI:000238412100062, title = {Exfoliation-induced nanoribbon formation of poly(3,4-ethylene dioxythiophene) PEDOT between MoS2 layers as cathode material for lithium batteries}, journal = {Journal of Power Sources}, volume = {156}, number = {2}, year = {2006}, month = {JUN}, pages = {615-619}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A new type of layered nanocomposite synthesized by delaminated MoS2 nanosheets and poly(3,4-ethylenedioxythiophene) (PEDOT) are restacked to produce alternate polymer nanoribbons between layers Of MoS2 with an interlayer distance of similar to 1.38 nm. The unique properties of resulting nanocomposite are investigated by powder XRD, XPS, SEM, TEM, and four-probe conductivity measurements. The obtained nanocomposite can be used as a cathode material for a small power rechargeable lithium battery as demonstrated by the electrochemical insertion of lithium into the PEDOT/MoS2 nanocomposite. A significant enhancement in the discharge capacity (100 mAh g(-1)) is observed compared with that (40 mAh g(-1)) for MoS2. (c) 2005 Elsevier B.V All rights reserved.
}, keywords = {cathode material, lithium batteries, MoS2, organic-inorganic nanocomposite, PEDOT-nanoribbons}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2005.06.022}, author = {Murugan, A. Vadivel and Quintin, M. and Delville, M. H. and Campet, Guy and Gopinath, Chinnakonda S. and Vijayamohanan, K.} } @article { ISI:000239426700005, title = {Experimental comparison of the structural, magnetic, electronic, and optical properties of ferromagnetic and paramagnetic polycrystalline Zn1-xCoxO (x=0,0.05,0.1)}, journal = {Physical Review B}, volume = {74}, number = {3}, year = {2006}, month = {JUL}, pages = {Article No. 033201}, publisher = {AMERICAN PHYSICAL SOC}, type = {Article}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
Ferromagnetism at room temperature is observed in one case whereas paramagnetism down to 12 K is observed in the second case when polycrystalline Zn1-xCoxO is synthesized under almost identical conditions. Identical x-ray diffraction, optical absorption, and x-ray photoelectron spectroscopy results indicate the incorporation of Co2+ ions in the ZnO lattice in both cases. However, electron diffraction studies show the presence of Co metal impurities in the ferromagnetic samples, indicating that pure Co doped ZnO is not likely to be ferromagnetic.
}, issn = {1098-0121}, doi = {10.1103/PhysRevB.74.033201}, author = {Deka, Sasanka and Pasricha, Renu and Joy, Pattayil Alias} } @article { ISI:000238312300038, title = {Facile synthesis of 1,3,7-trihydroxyxanthone and its regioselective coupling reactions with prenal: simple and efficient access to osajaxanthone and nigrolineaxanthone F}, journal = {Journal of Organic Chemistry}, volume = {71}, number = {13}, year = {2006}, month = {JUN}, pages = {4992-4995}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A facile five-step synthesis of naturally occurring 1,3,7-trihydroxyxanthone has been described starting from 1,3,5-trimethoxybenzene via NBS-induced nuclear bromination, lithiation followed by an in situ benzoylation with methyl 2,5-dibenzyloxybenzoate, selective deprotection of the two benzyl groups, base-catalyzed intramolecular cyclization, and demethylations pathway with 62\% overall yield. The regioselective coupling reactions of 1,3,7-trihydroxyxanthone with prenal in the presence of calcium hydroxide at room temperature and under thermal conditions at 140-150 degrees C have been demonstrated to exclusively obtain the natural products osajaxanthone in 75\% yield and nigrolineaxanthone F in 98\% yield, respectively.
}, issn = {0022-3263}, doi = {10.1021/jo0606655}, author = {Mondal, Mukulesh and Puranik, Vedavati G. and N. P. Argade} } @article { ISI:000236256600002, title = {Facile two-step chemoenzymatic access to natural germination inhibitor (+)-erigeronic acid A}, journal = {Tetrahedron}, volume = {62}, number = {13}, year = {2006}, month = {MAR}, pages = {2999-3003}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A facile two-step synthesis of natural germination inhibitor 5-butyl-3-oxo-2,3-dihydrofuran-2-yl-acetic acid [(+)-erigeronic acid A, 1] has been described via highly regioselective ring opening of (R)-acetoxysuccinic anhydride with the primary enolate of butyl methyl ketone, followed by an enzymatic hydrolysis and ail in situ dehydrative cyclization pathway with 77\% overall yield. Oil the basis of the present chemoenzymatic approach, (R)-configuration has been assigned to the C-2 chiral centre of the natural erigeronic acid. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {(+)-erigeronic acid, (R)acetoxysuccinic anhydride, natural germination inhibitor, primary enolate of butyl methyl ketone, synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.01.044}, author = {Gogoi, Sanjib and N. P. Argade} } @article { ISI:000242327500019, title = {Factors influencing decomposition of H2O2 over supported Pd catalyst in aqueous medium}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {260}, number = {1-2}, year = {2006}, month = {DEC}, pages = {115-120}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Since H2O2 decomposition can result in selectivity/yield loss in the direct H2O2 synthesis process from H-2 and O-2 over supported Pd catalysts, it is important to have an enhanced understanding about the factors affecting the H2O2 decomposition reaction. Herein, detailed studies have been undertaken to investigate the influence of different factors, such as (a) nature and concentration of acid in reaction medium, (b) nature and concentration of halide in presence and absence of acid in reaction medium, (c) pretreatment procedures and (d) catalyst modification by incorporation of different halides, on the H2O2 decomposition reaction over a 5\% Pd/C catalyst in aqueous medium at 25 degrees C. This study has shown that the H2O2 decomposition activity is profoundly influenced by all the above factors. The effectiveness of the acids in suppressing the H2O2 decomposition activity decreased in the following order: hydroiodic acid \> hydrobromic acid \> hydrochloric acid \>\> acetic acid \> phosphoric acid \> sulfuric acid \> perchloric acid. The ability of the acid to decrease the H2O2 decomposition activity was found to very strongly depend on the nature of its associated anion. Halides, such as iodide, bromide and chloride were particularly effective in suppressing the H2O2 decomposition activity. Oxidation pretreatment of the catalyst was found to strongly suppress its H2O2 decomposition activity, while a reduction treatment was found to promote its activity. A gradual decrease in the H2O2 decomposition activity of the catalyst was observed with each successive usage due to in situ sub-surface oxidation of Pd by H2O2. Halide incorporation either via the reaction medium or prior catalyst modification had a similar qualitative effect on the H2O2 decomposition activity. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {acid, H2O2 decomposition, H2O2 synthesis, halides, Pd catalysts, pretreatment}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.07.009}, author = {Choudhary, Vasant R. and Samanta, C. and Choudhary, Tushar V.} } @article { ISI:000239174100073, title = {Ferromagnetism induced by hydrogen in polycrystalline nonmagnetic Zn0.95Co0.05O}, journal = {Applied Physics Letters}, volume = {89}, number = {3}, year = {2006}, month = {JUL}, pages = {Article No. 032508}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Polycrystalline Zn0.95Co0.05O is found to be paramagnetic at room temperature and down to 12 K. Optical measurements prove the incorporation of Co2+ ions inside the ZnO lattice in the tetrahedral site. When the paramagnetic sample is heated in Ar/H-2 at 1125 K for 2 h, ferromagnetism with a very high value of magnetization is observed at room temperature. Hydrogen reduction does not affect the substituted Co2+ ions inside the wurtzite crystal lattice as evidenced from optical studies. X-ray diffraction studies show the presence of Co metal after the reduction process which is the origin of room temperature ferromagnetism. (c) 2006 American Institute of Physics.
}, issn = {0003-6951}, doi = {10.1063/1.2227642}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000239326400005, title = {Fe-Zn double-metal cyanide complexes as novel, solid transesteritication catalysts}, journal = {Journal of Catalysis}, volume = {241}, number = {1}, year = {2006}, month = {JUL}, pages = {34-44}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Fe-Zn double-metal cyanide complexes are currently used as catalysts for the ring-opening polymerization of epoxides, as well as the coupling of epoxides and CO2 for the production of polycarbonates. We report their novel application as highly efficient solid catalysts for the transesterification reactions of carbonates. The catalysts were prepared from aqueous solutions of ZnCl2 and K4Fe(CN)(6) in the presence of tert-butanol (complexing agent) and tri-block copolymer EO20PO70EO20 (average molecular weight, 5800; co-complexing agent). They were characterized by chemical analysis, XRD, thermal analysis, N-2 adsorption, magnetic susceptibility, SEM, and FTIR, diffuse reflectance UV-visible, EPR, and X-ray photoelectron spectroscopies. Their acidity was determined from the IR spectra of adsorbed pyridine and the temperature-programmed desorption of NH3. Catalyst samples prepared with both complexing and co-complexing agents were found to be more acidic and catalytically active than those prepared without these agents. These catalysts are more active/selective than other solid catalysts hitherto reported. Dimethyl carbonate, for example, could be synthesized with 100\% selectivity and an isolated yield of \>86\% by the reaction of propene carbonate with methanol. The catalysts can be recycled without significant loss in activity. Lewis acidic Zn ions are the possible active sites for the transesterification reaction. (c) 2006 Published by Elsevier Inc.
}, keywords = {cyclic carbonate, Dimethyl carbonate, double metal cyanide Fe-Zn complexes, organic carbonate, transesterification catalyst}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.04.002}, author = {Srivastava, R. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000242931900034, title = {Field emission from oriented tin oxide rods}, journal = {Thin Solid Films}, volume = {515}, number = {4}, year = {2006}, month = {DEC}, pages = {1450-1454}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Tin oxide (SnO2) films were grown on silicon substrates by a wet chemical route. It was found from scanning electron microscopy investigations that oriented SnO2 rods normal to the substrates were obtained. Field emission studies were carried out in diode configuration in an all metal ultra high vacuum chamber at a base pressure similar to 1.33 x 10(-8) mbar. The {\textquoteleft}onset{\textquoteright} field required to draw 0.1 mu A/cm(2) current density from the emitter cathode was found to be similar to 3.4 V/mu m for SnO2 rods. The field emission current and applied field follows the Folwer-Nordheim relationship in low field regime. The observed results indicate that the field emission characteristics of chemically grown SnO2 structures are comparable to the vapor grown nanostructures. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {field emission, microstructures, scanning electron microscopy, tin oxide}, issn = {0040-6090}, doi = {10.1016/j.tsf.2006.04.034}, author = {Deshpande, A. C. and Koinkar, Pankaj M. and Ashtaputre, S. S. and More, Mahendra A. and Gosavi, S. W. and Godbole, P. D. and Joag, Dilip S. and Kulkarni, S. K.} } @article { ISI:000238250300028, title = {Field emission studies of novel ZnO nanostructures in high and low field regions}, journal = {Nanotechnology}, volume = {17}, number = {11}, year = {2006}, month = {JUN}, pages = {2730-2735}, publisher = {IOP PUBLISHING LTD}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
A study of the field emission characteristics of novel structures of ZnO, namely marigolds, multipods and microbelts, has been carried out in both the close proximity configuration and the conventional field emission microscope. The use of a conventional field emission microscope overcomes the drawback of arc formation at high field values. The nonlinearity in the Fowler - Nordheim ( F - N) plot, a characteristic feature of semiconductors has been observed and explained on the basis of electron emission from both the conduction and the valence bands. The current stability exhibited by these structures is also promising for future device applications.
}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/11/003}, author = {Ramgir, Niranjan S. and Late, Dattatray J. and Bhise, Ashok B. and Mulla, Imtiaz S. and More, Mahendra A. and Joag, Dilip S. and Pillai, Vijayamohanan K.} } @article { ISI:000236784200028, title = {Finite size effects on the structural and magnetic properties of sol-gel synthesized NiFe2O4 powders}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {302}, number = {1}, year = {2006}, month = {JUL}, pages = {190-195}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nanoparticles of nickel ferrite have been synthesized by the sol-gel method and the effect of grain size oil its structural and magnetic properties have been Studied in detail. X-ray diffraction (XRD) studies revealed that all the samples are single phasic possessing the inverse spinel structure. Grain size of the sol-gel synthesized powders has been determined from the XRD data and the strain graph. A grain size of 9 nm was observed for the as prepared powders of NiFe2O4 obtained through the sol-gel method. It was also observed that strain was induced during the firing process. Magnetization measurements have been carried out on all the samples prepared in the present series. It was found that the specific magnetization of the nanosized NiFe2O4 powders was lower than that of the corresponding coarse-grained counterparts and decreased with a decrease in grain size. The coercivity of the sol-gel synthesized NiFe2O4 nanoparticles attained a maximum value when the grain size was 15 nm and then decreased as the grain size was increased further. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {grain size, magnetic properties, Nanoparticles, Nickel ferrite, strain}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2005.08.029}, author = {George, M. and John, A. M. and Nair, S. S. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000241755300045, title = {First enantiospecific synthesis of (-)-parvifoline and (-)-curcuquinone}, journal = {Journal of Organic Chemistry}, volume = {71}, number = {23}, year = {2006}, month = {NOV}, pages = {8986-8988}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The first enantiospecific synthesis of (-)-parvifoline, employing ring-closing metathesis as the key step, and (-)-curcuquinone from naturally occurring (R)-(+)-citronellal is described.
}, issn = {0022-3263}, doi = {10.1021/jo061730d}, author = {Chavan, Subhash P. and Thakkar, Mahesh and Jogdand, Ganesh F. and Kalkote, Uttam R.} } @article { ISI:000236119700015, title = {First study of metal hybrids of boronic acids: second-sphere coordination networks in the structures of 4-carboxyphenylboronic acid with some transition metals}, journal = {Inorganic Chemistry}, volume = {45}, number = {6}, year = {2006}, month = {MAR}, pages = {2400-2402}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Metal-organic hybrids of a boronic acid (4-carboxylphenylboronic acid) with Co(II), Mn(II), and Ni(II) salts have been reported for the first time. In all of the complexes, there is no interaction between the metal and boronic acid through dative bonds. Furthermore, second-sphere coordination, along with water clusters in the form of octamers, was observed in the absence of any other additional ligands. However, in the presence of aza-donor molecules such as 1, 2-bis(4-pyridyl) ethane, metal ions formed coordination polymers with those ligands, replacing the second-sphere coordination.
}, issn = {0020-1669}, doi = {10.1021/ic052100h}, author = {Seethalekshmi, N. and Pedireddi, V. R.} } @article { ISI:000240238100085, title = {Flexible ring polymers in an obstacle environment: Molecular theory of linear viscoelasticity}, journal = {Physical Review E}, volume = {74}, number = {2, 1}, year = {2006}, month = {AUG}, pages = {Article No. 021805}, publisher = {AMERICAN PHYSICAL SOC}, type = {Article}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
We formulate a coarse-grained mean-field approach to study the dynamics of the flexible ring polymer in any given obstacle (gel or melt) environment. The similarity of the static structure of the ring polymer with that of the ideal randomly branched polymer is exploited in formulating the dynamical model using aspects of the pom-pom model for branched polymers. The topological constraints are handled via the tube model framework. Based on our formulation we obtain expressions for diffusion coefficient D, relaxation times tau, and dynamic structure factor g(k,t). Further, based on the framework we develop a molecular theory of linear viscoelasticity for ring polymers in a given obstacle environment and derive the expression for the relaxation modulus G(t). The predictions of the theoretical model are in agreement with previously proposed scaling arguments and in qualitative agreement with the available experimental results for the melt of rings.
}, issn = {1539-3755}, doi = {10.1103/PhysRevE.74.021805}, author = {Iyer, Balaji V. S. and Lele, Ashish K. and Juvekar, Vinay A.} } @article { ISI:000238008900004, title = {Flufenoxuron, an acylurea insect growth regulator, alters development of Tribolium castaneum (Herbst) (Coleoptera :tenebrionidae) by modulating levels of chitin, soluble protein content, and HSP70 and p34(cdc2) in the larval tissues}, journal = {Pesticide Biochemistry and Physiology}, volume = {85}, number = {2}, year = {2006}, month = {JUN}, pages = {84-90}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The effect of sublethal concentrations, 0.00141\% (LC20), 0.00251\% (LC30), and 0.0036\% (LC40) of a dispersible formulation of an acylurea insect growth regulator, flufenoxuron (Cascade) on certain biochemical parameters in the larvae of Tribolium castaneum was investigated. When neonates were fed on diet treated with sublethal concentrations for 24 It, it was observed that at all concentrations tested, there was a significant reduction in chitin content on the 15th day of development. Total soluble protein content at LC20 and LC30 decreased with increasing age of the larvae. At LC20 and LC40 concentrations there was a progressive increase in the protein: chitin ratio as a function of increase in age of the larvae. SDS-PAGE analysis of the larval tissue extracts indicated gross quantitative changes in some of the protein bands (MW 50-97 kDa). Western blot analysis revealed significant increase in the level of HSP70 in the extracts of larvae fed on LC30 treated diet, on the 7th and 10th day of development in the decreasing order. Conversely, a significant decrease in the hyper-phosphorylated form of p34(cdc2) kinase due to flufenoxuron treatment indicating modulation of cell cycle regulation was observed. Thus, sublethal concentrations of flufenoxuron alter expression of developmentally regulated proteins, HSP70 and p34(cdc2) and chitin formation in a stage-specific manner thereby resulting developmental abnormalities in T castaneum. (c) 2005 Elsevier Inc. All rights reserved.
}, keywords = {chitin, Development, flufenoxuron, HSP70, p34(cdc2), phosphotyrosine, sublethal effects, total soluble proteins, Tribolium castaneum}, issn = {0048-3575}, doi = {10.1016/j.pestbp.2005.10.006}, author = {Salokhe, S. and Sarkar, A. and Kulkarni, A. and Mukherjee, Samindra N. and Pal, J. K.} } @article { ISI:000238258000026, title = {Formation of linear polymers with pendant vinyl groups via inclusion complex mediated polymerization of divinyl monomers}, journal = {Journal of the American Chemical Society}, volume = {128}, number = {24}, year = {2006}, month = {JUN}, pages = {7752-7753}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0002-7863}, doi = {10.1021/ja062568z}, author = {Satav, S. S. and Karmalkar, Rohini N. and Kulkarni, M. G. and Mulpuri, Nagaraju and Sastry, G. N.} } @article { ISI:000236648800046, title = {Formation of poly(o-anisidine) coatings on copper from aqueous salicylate solution}, journal = {Surface \& Coatings Technology}, volume = {200}, number = {18-19}, year = {2006}, month = {MAY}, pages = {5557-5565}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Poly(o-anisidine) coatings have been electrosynthesized by using cyclic voltammetry on copper from an aqueous salicylate medium. Cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy, scanning electron microscopy and X-ray photoelectron spectroscopy were used to characterize these coatings, which indicates that the aqueous salicylate solution is a suitable medium for the electrochemical polymerization of o-anisidine on copper substrate. Cyclic voltammetry accompanied by the X-ray photoelectron spectroscopy was used to characterize the surface modifications induced by polarizing the copper substrate in the aqueous salicylate solution (without monomer). It was shown that the polarization of the copper in the aqueous salicylate medium results into the passivation of its surface via the formation of Cu(2)O and/or copper salicylate complex. It was found that the electrochemical polymerization of o-anisidine takes place after the passivation of the copper substrate via fort-nation of Cu(2)O and/or copper salicylate complex and results into the formation of shiny, uniform and strongly adherent poly(o-anisidine). The optical absorption spectroscopy reveals the formation of emraldine salt form of poly(o-anisidine). This study offers an electrochemical polymerization recipe to synthesize strongly adherent poly(o-anisidine) coating on copper from aqueous media for possible use in corrosion protection application. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {conducting polymers, Copper, corrosion protective coatings, cyclic voltammetry, poly(o-anisidine) coatings}, issn = {0257-8972}, doi = {10.1016/j.surfcoat.2005.07.071}, author = {Chaudhari, Sudeshna and Mandale, A. B. and Patil, K. R. and Sainkar, S. R. and Patil, P. P.} } @article {42615, title = {Friction of a slider on a granular layer: non-monotonic thickness dependence and effect of boundary conditions}, journal = {Physical Review E}, volume = {73}, year = {2006}, month = {JAN}, pages = {010301}, type = {Article}, abstract = {
We investigate the effective friction encountered by a mass sliding on a granular layer as a function of bed thickness and boundary roughness conditions. The observed friction has minima for a small number of layers before it increases and saturates to a value that depends on the roughness of the sliding surface. We use an index-matched interstitial liquid to probe the internal motion of the grains with fluorescence imaging in a regime where the liquid has no significant effect on the measured friction. The shear profiles obtained as a function of depth show a decrease in slip near the sliding surface as the layer thickness is increased. We propose that the friction depends on the degree of grain confinement relative to the sliding surfaces.
}, doi = {10.1103/PhysRevE.73.010301}, author = {Siavoshi, Saloome and Orpe, Ashish V. and Kudrollim, Arshad} } @article { ISI:000241519600041, title = {Fungus-mediated biotransformation of amorphous silica in rice husk to nanocrystalline silica}, journal = {Journal of American Chemical Society}, volume = {128}, number = {43}, year = {2006}, month = {NOV}, pages = {14059-14066}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Rice husk is a cheap agro-based waste material, which harbors a substantial amount of silica in the form of amorphous hydrated silica grains. However, there have been no attempts at harnessing the enormous amount of amorphous silica present in rice husk and its room-temperature biotransformation into crystalline silica nanoparticles. In this study, we address this issue and describe how naturally deposited amorphous biosilica in rice husk can be bioleached and simultaneously biotransformed into high value crystalline silica nanoparticles. We show here that the fungus Fusarium oxysporum rapidly biotransforms the naturally occurring amorphous plant biosilica into crystalline silica and leach out silica extracellularly at room temperature in the form of 2-6 nm quasi-spherical, highly crystalline silica nanoparticles capped by stabilizing proteins; that the nanoparticles are released into solution is an advantage of this process with significant application and commercial potential. Calcination of the silica nanoparticles leads to loss of occluded protein and to an apparently porous structure often of cubic morphology. The room-temperature synthesis of oxide nanomaterials using microorganisms starting from potential cheap agro-industrial waste materials is an exciting possibility and could lead to an energy-conserving and economically viable green approach toward the large-scale synthesis of oxide nanomaterials.
}, issn = {0002-7863}, doi = {10.1021/ja062113+}, author = {Bansal, Vipul and Ahmad, Absar and Sastry, Murali} } @article { ISI:000239289800036, title = {Gamma-heteroatom directed stereocontrolled staudinger cycloaddition reaction of vinylketenes and imines}, journal = {Tetrahedron Letters}, volume = {47}, number = {33}, year = {2006}, month = {AUG}, pages = {5993-5996}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Vinylketenes possessing a gamma-heteroatom, on Staudinger cycloaddition reaction with imines gave trans-3-vinyl-beta-lactams in very good yields. The vinyl side chain stereoselectively adopts the Z-configuration in the transition state to stabilize the vinylketene and produces, exclusively, trans-3-vinyl-beta-lactams. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {imines, Staudinger reaction, stereoselective synthesis, vinylketenes}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.05.189}, author = {Shaikh, Aarif L. and Puranik, Vedavati G. and Deshmukh, A. R. A. S.} } @article { ISI:000242873400011, title = {General strategy for a short and efficient synthesis of 3-hydroxy-4-methylprolines (HMP)}, journal = {Tetrahedron Letters}, volume = {47}, number = {52}, year = {2006}, month = {DEC}, pages = {9215-9219}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The non-proteinogenic amino acid 3-hydroxy-4-methylproline (HMP) is an active constituent of some potent antimicrobials including echinocandins, nostopeptins, pneumocandins, sporiofungin and mulundocandins. A synthesis has been achieved in 10 steps with 29\% overall yield; the Evans{\textquoteright} aldol reaction using Crimmins{\textquoteright} modified method was pivotal to the success of the strategy. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {3, 4-disubstituted proline, Crimmins{\textquoteright} aldol reaction, Garner{\textquoteright}s aldehyde, non-proteinogenic amino acids, RUO4 mediated oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.10.137}, author = {Mohapatra, Debendra K. and Mondal, Dhananjoy and Chorghade, Mukund S. and Gurjar, Mukund K.} } @article { ISI:000244926000019, title = {Genetic diversity analysis in Gaultheria fragrantissima wall. (Ericaceae) from the two biodiversity hotspots in India using ISSR markers}, journal = {Current Science}, volume = {91}, number = {12}, year = {2006}, month = {DEC}, pages = {1634-1640}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {
Our study involves Inter Simple Sequence Repeat markers to analyse genetic diversity of an undershrub, Gaultheria fragrantissima Wall. (Ericaceae) from two plant diversity hotspots in India, namely Western Ghats and Northeastern Himalayas. The plants from these two regions show no morphological differences but the total heterozygosity (H-T = 0.505) is high. Furthermore, the average heterozygosity of G. fragrantissima at WG (H-s = 0.433) is higher than that at NE region (H-s, = 0.231). Within population variance is higher (15.56 \%) than among population variance (8.31 \%) as seen in outcrossing plant species. Mantel{\textquoteright}s test shows a strong positive correlation between the genetic and geographic distances. The plants within WG show high gene flow, which may be enough to prevent genetic drift, however, the gene flow in NE population is very low.
}, keywords = {Gaultheria fragrantissima, Genetic diversity, heterozygosity, ISSR markers}, issn = {0011-3891}, author = {Apte, G. S. and Bahulikar, R. A. and Kulkarni, R. S. and Lagu, Meena D. and Kulkarni, B. G. and Suresh, H. S. and Rao, P. S. N. and Gupta, V. S.} } @article {32}, title = {Grapevine DNA polymorphisms revealed by microsatellite-derived markers from soybean and rice}, journal = {Vitis}, volume = {45}, number = {2}, year = {2006}, month = {JAN}, pages = {81-84}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
We report detection of DNA polymorphisms in grapevine by the use of microsatellite-flanking primer pairs from soybean and rice. These "cross species" microsatellite-derived markers were checked for their inheritance patterns in controlled grapevine crosses. They produced multiple bands that segregated and can be scored as individual genetic markers of dominant type. Employed in genetic mapping studies they offer advantages such as improved reproducibility in comparison to commonly used multi-locus marker systems like RAPDs and AFLPs.
}, keywords = {1, 3-dipolar addition, pyrazoles, regiospecific reaction, sydnones}, issn = {0039-7911}, author = {Agrawal, Dinesh C. and Topfer, R. and Zyprian, E.} } @article { ISI:000236916100016, title = {Green protocol for the synthesis of N-oxides from secondary amines using vanadium silicate molecular sieve catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {248}, number = {1-2}, year = {2006}, month = {APR }, pages = {109-112}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Vanadium silicate molecular sieve catalyst VS-I was found to promote efficiently the oxidation of alpha alpha,alpha{\textquoteright}alpha{\textquoteright}-tetrasubstituted secondary amines with 30\% aqueous hydrogen peroxide as oxidant. In comparison to other catalysts reported to date, this heterogeneous catalyst offers a remarkably simple workup procedure and is reusable without any appreciable loss of activity. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {heterogeneous catalyst, Hydrogen peroxide, N-oxide, VS-1, zeolite}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.12.005}, author = {Phukan, P. and Khisti, R. S. and Sudalai, A.} } @article {Kaliaperumal, title = {Harvesting chemical information from the Internet using a distributed approach: chemxtreme}, journal = {Journal of Chemical Information and Modeling}, volume = {46}, number = {2}, year = {2006}, note = {7th International Conference on Chemical Structures, Noordwijkerhout, NETHERLANDS, JUN 05-09, 2005}, month = {MAR}, pages = {452-461}, publisher = {ASC, CINF; CSA Trust; CSJ; GDCh; KNCV}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{The Internet is a comprehensive resource of chemical information which is at the same time largely unstructured. It provides a wealth of scientific information such as experimental data and requires a suitable automated data mining and analysis tool for its meaningful exploration. The Java based software presented here, ChemXtreme, is developed for harvesting chemical information from the Internet employing the Google API in combination with a distributed client/server text analysis architecture based on JavaRMI. It represents the first and until now the only toolkit for automated structured data retrieval from the Internet which is itself open source. ChemXtreme employs the {\textquoteleft}{\textquoteleft}search the search engine{\textquoteright}{\textquoteright}
}, keywords = {calcination, clinker, one-dimensional model, rotary cement kiln}, issn = {0887-0624}, doi = {10.1021/ci050329+}, author = {Karthikeyan, Muthukumarasamy and Krishnan, S. and Pandey, A. K. and Bender, Andreas} } @article { ISI:000236437400010, title = {Haval-Argade contrathermodynamic rearrangement of alkylidenesuccinimides to alkylmaleimides via the corresponding isoimides: a general approach to alkyl and dialkyl substituted maleimides}, journal = {Tetrahedron}, volume = {62}, number = {15}, year = {2006}, month = {APR}, pages = {3557-3563}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple and efficient access to alkyl and dialkyl substituted maleimides has been demonstrated via the new contrathermodynamic rearrangement of (E)-alkylidenesuccinimides to alkylinaleimides. The (E)-alkylidenesuccinimides obtained from the Wittig-condensation of N-arylmaleimide with aliphatic aldehydes oil regioselective hydrolysis furnished the corresponding (E)-alkylidenesuccinanilic acids in 95-98\% yields. The beta-alkylidenesuccinanilic acids oil treatment with cyanuric chloride in the presence of triethylamine gave the corresponding beta-alkylisomaleimides in 78-80\% yields via the beta-alkylideneisosuccinimides with the exocyclic to endocyclic carbon-carbon double bond migration. The kinetically controlled products alkylisomaleimides in refluxing acetic acid furnished the thermodynamically controlled alkylinaleimides in 98\% yield. The Wittig condensation of alkyl substituted isomaleimides/maleimides with aliphatic aldehydes gave the desired dialkyl substituted maleimides in high yields. A conversion of alpha-methylenesuccinanilic acids to alpha-methylisomaleimides has also been described, with 90\% yield. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {alkyl and dialkylmaleimides, contrathermodynamic rearrangement, isomaleimides, maleimides, wittig coupling}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.01.091}, author = {Haval, Kishan P. and N. P. Argade} } @article { ISI:000242130100007, title = {Heterogenized vanadyl cations over modified silica surfaces: a comprehensive understanding toward the structural property and catalytic activity difference over mesoporous and amorphous silica supports}, journal = {Journal of Catalysis}, volume = {244}, number = {1}, year = {2006}, month = {NOV}, pages = {52-64}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Using a postsynthesis grafting method, 3-aminopropyltriethoxysilane (3-APTS) was functionalized over silica gel and mesoporous silica materials like SBA-15 and MCM-41. Vanadyl cations were then immobilized over the functionalized amino groups of the silica samples and used as a catalyst in the liquid-phase oxidation reaction of cyclohexane. Elemental analysis, PXRD, TEM, N-2 adsorption-desorption isotherms, FTIR, C-13 and Si-29 MAS NMR, UV-vis, and EPR techniques were used to characterize the developed materials. Characterization results suggest that the percentage of 3-APTS grafting depends on the number of isolated and genlinal silanol sites of the support material, the solvents used during the grafting reactions, and the sample pretreatment conditions. We found that using toluene as the dispersing medium and Si-MCM-41 as a support provides the maximum amount of amine functionalization, and thereby the highest percentage of vanadium immobilization. Catalytic activity and metal leaching studies show that vanadium-immobilized mesoporous solids are more active and stable than the silica gel-functionalized vanadium catalyst and a framework-substituted V-MCM-41 catalyst. The enhanced activity and stability of the immobilized vanadium catalysts compared with the V-MCM-41 and silica gel samples are attributed to the active metal site isolations, as well as to the spatial restrictions imparted from the concave silica surfaces of the mesoporous solids rather than the convex silica surfaces of the silica gel sample. (c) 2006 Published by Elsevier Inc.
}, keywords = {3-APTS, mesoporous solids, Oxidation, Silica gel, Vanadium}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.08.002}, author = {Shylesh, S. and Singh, A. R.} } @article { ISI:000240365800049, title = {Heteropoly acid supported on titania as solid acid catalyst in alkylation of p-cresol with tert-butanol}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {256}, number = {1-2}, year = {2006}, month = {AUG}, pages = {324-334}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Butylation of p-cresol with tert-butanol was investigated on titania modified with 12-tungstophosphoric acid (TPA/TiO2) catalyst under vapor phase conditions. Catalysts with different TPA loadings (10-25 wt.\%) and calcination temperatures (650-750 degrees C) were prepared by suspending titanium hydroxide in methanol solution of TPA followed by drying and calcination. These catalysts were characterized by surface area, XRD, P-31 MAS NMR, XPS, NH3-TPD, and FTIR pyridine adsorption. XRD results indicated that the presence of TPA retarded the crystallization of titania and stabilized TiO2 in anatase phase. P-31 MAS NMR indicated the presence of TPA in various forms (dispersed, highly fragmented and Keggin intact). These catalysts showed both Bronsted and Lewis acidity, and 20\% TPA on TiO2 calcined at 700 degrees C (from here after words 20\% TT 700) had the highest Bronsted as well as total acidity. Further, the catalytic activities were examined in tert-butylation of p-cresol with tent-butanol. The catalytic activity depended on TPA coverage, and the highest activity corresponded to the monolayer of TPA on titania. The most active catalyst 20\% TT-700 gave 82\% conversion of p-cresol and 89.5\% selectivity towards 2-tert-butyl cresol (TBC), 2,6-di-tert-butyl cresol (DTBC) 7.5\% and cresol-tert-butyl ether (CTBE) 3\% under optimized conditions. The activity was always higher than that of WO3/ZrO2, sulfated zirconia (SZ), USY, H-beta zeolites and montmorillonite K-10 (K-10mont) under similar conditions. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {2, 2-tert-butyl-p-cresol, 6-di-tert-butyl-p-cresol, Alkylation, heteropoly acid, p-Cresol, tert-butanol, titania}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.05.024}, author = {Kumbar, Suresh M. and Shanbhag, G. V. and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000238418000031, title = {High performance poly(styrene-b-diene-b-styrene) triblock copolymers from a hydrocarbon-soluble and additive-free dicarbanionic initiator}, journal = {Journal of the American Chemical Society}, volume = {128}, number = {25}, year = {2006}, month = {JUN}, pages = {8158-8159}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0002-7863}, doi = {10.1021/ja062695v}, author = {Matmour, Rachid and More, Arvind S. and Wadgaonkar, Prakash P. and Gnanou, Yves} } @article { ISI:000238914002206, title = {Highly acidic phytase from Aspergillus niger NCIM 563 under submerged fermentation}, journal = {FEBS Journal}, volume = {273}, number = {1}, year = {2006}, note = {31st Congress of the Federation-of-European-Biochemical-Societies (FEBS), Istanbul, TURKEY, JUN 24-29, 2006}, month = {JUN}, pages = {301}, publisher = {Federat European Biochem Soc}, type = {Meeting Abstract}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1742-464X}, author = {Soni, S. K. and Khire, Jayant Malhar} } @article { ISI:000241248000088, title = {Highly efficient organic-inorganic poly(3,4-ethylenedioxythiophene)-molybdenum trioxide nanocomposite electrodes for electrochemical supercapacitor}, journal = {Journal of Applied Physics}, volume = {100}, number = {7}, year = {2006}, month = {OCT}, pages = {Article No. 074319}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
In this paper, we report a highly efficient organic-inorganic nanocomposite electrode with enhanced double layer capacitance, which has been synthesized using 3,4-ethylenedioxythiophene and crystalline molybdenum trioxide (MoO3) in the presence of an external oxidizing agent. The interlayer spacing of MoO3 upon intercalation expands from 6.93 to 13.46 A and is followed by an exfoliation and restacking process. The resulting nanocomposite is characterized by powder x-ray diffraction, scanning electron microscopy, transmission electron microscopy, x-ray photoelectron spectroscopy, and four probe conductivity measurements. The application potential of this nanocomposite as an electrode material for electrochemical supercapacitors has been investigated, highlighting the unusual enhancement of double layer capacitance of poly(3,4-ethylenedioxythiphene) (PEDOT-MoO3) nanocomposites (similar to 300 F g(-1)) compared to that of pristine MoO3 (similar to 40 mF g(-1)). The improved electrochemical performance is attributed to the intercalation of electronically conducting PEDOT between MoO3 layers with enhanced bidimensionality and an increase in the surface area. (c) 2006 American Institute of Physics.
}, issn = {0021-8979}, doi = {10.1063/1.2356788}, author = {Murugan, A. Vadivel and Viswanath, Annamraju Kasi and Gopinath, Chinnakonda S. and Vijayamohanan, K.} } @article {43267, title = {High-throughput screening of RNA polymerase inhibitors using a fluorescent UTP analog}, journal = {Journal of Biomolecular Screening}, volume = {11}, year = {2006}, month = {DEC}, pages = {968-976}, abstract = {
RNA polymerase (RNAP) is a well-validated target for the development of antibacterial and antituberculosis agents. Because the purification of large quantities of native RNA polymerase from pathogenic mycobacteria is hazardous and cumbersome, the primary screening was carried out using Escherichia coli RNAP. The authors have developed a high-throughput screening (HTS) assay to screen for novel inhibitors of RNAP. In this assay, a fluorescent analog of UTP, gamma-amino naphthalene sulfonic acid (gamma-AmNS) UTP, was used as one of the nucleotide substrates. Incorporation of UMP in RNA results in the release of gamma-AmNS-PPi, which has higher intrinsic fluorescence than (gamma-AmNS) UTP. The assay was optimized in a 384-well format and used to screen 670,000 compounds at a concentration of 10 mu M. About 0.1\% of the compounds showed more than 60\% inhibition in the primary HTS. All the primary actives tested for dose response using the same assay had an EC50 below 100 mu M. Eighty percent of the primary HTS actives obtained using E. coli RNAP showed comparable activity against Mycobacterium smegmatis RNAP in the conventional radioactive assay. Activity of hits selected for the hit-to-lead optimization was also confirmed against Mycobacterium bovis RNAP which has \> 99\% sequence identity with Mycobacterium tuberculosis RNAP subunits.
}, author = {Bhat, Jyothi and Rane, Rajendra and Solapure, Suresh M. and Sarkar, Dhiman and Sharma, Umender and Harish, M. N. and Lamb, Sarah and Plant, Darren and Alcock, Peter and Peters, Steve and Barde, Shubhada and Roy, Raman K.} } @article { ISI:000241179400014, title = {Hybrid foldamer with unique architecture from conformationally constrained aliphatic-aromatic amino acid conjugate}, journal = {Tetrahedron}, volume = {62}, number = {43}, year = {2006}, month = {OCT}, pages = {10141-10146}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In this paper, we describe the design and synthesis of a novel hybrid foldamer, derived from a conformationally constrained aliphatic-aromatic amino acid conjugate that adopts a well-defined, compact, three-dimensional structure, governed by a combined conformational restriction imposed by the individual amino acids from which the foldamer is composed. Conformational investigations confirmed the prevalence of a unique doubly bent conformation for the foldamer, in both solid and solution states, as evidenced from single crystal X-ray and 2D NOESY studies, respectively. The findings suggest that constrained aliphatic-aromatic amino acid conjugates offer new avenues for the de novo design of hybrid foldamers with distinctive structural architectures. Furthermore, the de novo design strategy disclosed herein has the potential for significantly augmenting the {\textquoteleft}tool-box{\textquoteright} of the modern day peptidominetic chemist, as well as providing a novel approach to the field of rational design. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {Amino acids, Conformation, Foldamer, Peptidomimetics}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.08.032}, author = {Srinivas, Deekonda and Gonnade, Rajesh G. and Ravindranathan, Sapna and Sanjayan, Gangadhar J.} } @article { ISI:000239664900018, title = {Hydroformylation of olefins using dispersed molecular catalysts on solid supports}, journal = {Catalysis Letters}, volume = {110}, number = {1-2}, year = {2006}, month = {AUG}, pages = {129-133}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
A new method for heterogenization of metal complex catalysts by precipitation of its water-soluble analogue as a Gr.2 metals (Ca, Sr or Ba) salt on porous supports has been proposed. This technique yields a highly dispersed catalyst having a significantly higher activity (TOF) for hydroformylation of olefins compared to other known heterogenized catalysts. The catalyst can be recycled with ease.
}, keywords = {carbon support, Heterogenization, Hydroformylation, Olefins, Rhodium}, issn = {1011-372X}, doi = {10.1007/s10562-006-0095-x}, author = {Pagar, N. S. and Deshpande, R. M. and Chaudhari, Raghunath V.} } @article {42595, title = {Hydrogen bonding and rate enhancement in the photoinduced polymerization of telechelic urethane methacrylates based on a cycloaliphatic system: tricyclodecane dimethanol}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {44}, year = {2006}, month = {AUG}, pages = {4384{\textendash}4395}, type = {Article}, abstract = {
A new class of telechelic urethane methacrylic crosslinkers, based on a cycloaliphatic system (tricyclodecane dimethanol and tricyclodecane monomethanol), was synthesized. The synthesis was achieved by a two-step condensation of 1,6-hexamethylene diisocyanate or isophorone diisocyanate with tricyclodecane dimethanol and capping with hydroxyethyl methacrylate. Samples of hexanediol diacrylate, tricyclodecane monomethacrylate, and tricyclodecane dimethacrylate were used as non-hydrogen-bonding monomers for comparative studies of the curing kinetics. The photopolymerization of these telechelic systems was investigated with UV irradiation in the presence of 2,2-diethoxy acetophenone as the photoinitiator, and the kinetics were followed by the monitoring of the double-bond conversion at 815 cm-1 with Fourier transform infrared spectroscopy. The hydrogen-bonded crosslinkers had higher double-bond conversions than their non-hydrogen-bonded counterparts under identical conditions. The higher cure rate could be explained by hydrogen-bonding preassociation in these systems, which brought the methacrylate double bonds within close proximity. The temperature effects on the hydrogen bonding were also investigated. A decrease in the extent of the double-bond conversion with increasing temperature was observed for the hydrogen-bonded crosslinker, in contrast to an increased conversion with temperature for hexanediol diacrylate and tricyclodecane dimethacrylate. This was directly indicative of a reduction of hydrogen bonding at elevated temperatures leading to lower conversions. {\textcopyright} 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 4384{\textendash}4395, 2006
}, doi = {10.1002/pola.21533}, author = {Deepak, V. D. and Rajan, J. and Asha, S. K.} } @article { ISI:000237420200060, title = {Hydrophobic effects are dominant over secondary orbital interactions for a simple Diels-Alder reaction in salt solutions}, journal = {Organic Letters}, volume = {8}, number = {10}, year = {2006}, month = {MAY}, pages = {2199-2202}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The stereoselectivity ratios for a Diels-Alder reaction between cyclopentadiene with methyl trans-crotonate carried out in salt solutions demonstrate the dominance of hydrophobic effects over secondary orbital interactions.
}, issn = {1523-7060}, doi = {10.1021/ol060741q}, author = {Sarma, D. and Kumar, Anil} } @article { ISI:000237820800035, title = {Hydrophobic effects in a simple Diels-Alder reaction in water}, journal = {Tetrahedron Letters}, volume = {47}, number = {23}, year = {2006}, month = {JUN}, pages = {3957-3958}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The endolexo ratio for a simple Diels-Alder reaction carried out in water has been used to argue that hydrophobic effects can dominate the geometries of the transition states. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.093}, author = {Sarma, D. and Pawar, S. S. and Deshpande, Suvarna S. and Kumar, Anil} } @article { ISI:000242010600002, title = {Hydrophobic, solid acid catalysts for production of biofuels and lubricants}, journal = {Applied Catalysis A-General}, volume = {314}, number = {2}, year = {2006}, month = {NOV}, pages = {148-159}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A novel application of Fe-Zn double-metal cyanide (DMC) complexes as solid catalysts in the preparation of fatty acid alkyl esters (biodiesel/biolubricants) from vegetable oils is reported. The catalysts are hydrophobic (no H2O adsorption at reaction temperatures) and contain only Lewis acidic sites (NH3 and pyridine adsorption). Bronsted acid sites are absent (absence of 1546 and 1639 cm(-1) bands on adsorption of pyridine). Basic sites are also absent (no CO2 adsorption). Unlike the homogeneous or other solid catalysts (like ZnO-Al2O3, for example), the Fe-Zn, DMC catalysts are highly active even for the simultaneous transesterification of triglycerides and esterification of the free fatty acids (FFA) present in unrefined and waste cooking oils as well as non-edible oils. They are also tolerant of water, probably, due to their surface hydrophobicity. A relationship between the transesterification activity and the concentration of strong Lewis acid sites has been observed. Coordinatively unsaturated Zn2+ ions in the structure of the Fe-Zn complex are the probable active sites. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {alcoholysis of vegetable oils, Biodiesel, Biolubricants, double-metal cyanides (DMC), esterification of free fatty acids, fatty acid alkyl esters, fatty acid methyl esters, solid Fe-Zn catalysts, transesterification of vegetable oils}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.08.012}, author = {Sreeprasanth, Pulinthanathu Sree and Srivastava, R. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000234644600023, title = {Hydrothermal synthesis of MCM-41 using differently manufactured amorphous dioxosilicon sources}, journal = {Materials Letters}, volume = {60}, number = {7}, year = {2006}, month = {APR}, pages = {957-961}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The influence of differently manufactured amorphous dioxosilicon sources such as fumed silica (FS), spray dried precipitated silica (PSI) and flash dried precipitated silica (PS,) on the course of structural development and properties of hydrothermally prepared siliceous MCM-41 phases have been investigated. Powder XRD, N-2 adsorption/desorption and scanning electron microscopy techniques were used for sample characterization. On the basis of results obtained from time dependent study on the progressive development of MCM-41 mesophases, the reactivity trend of dioxosilicon sources observed was as: FS \> PS1 \> PS2. MCM-41 synthesized using least expensive PS2 having less surface area has exhibited thicker pore walls but poor orderness, while MCM-41 prepared from expensive FS having high surface area has thinner pore walls and was well ordered. The extent of contraction caused by calcination, magnitude of the wall thickness and structural stability were found to be dependent on manufacturing process of dioxosilicon sources. The noticeable morphological differences were also observed by variations in the type of dioxosilicon sources used in the hydrothermal synthesis MCM-41 materials. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Characterization, dioxosilicon sources, Hydrothermal synthesis, MCM-41, porosity, Structural stability}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.10.049}, author = {Gaydhankar, T. R. and Samuel, V. and Joshi, P. N.} } @article { ISI:000240369800005, title = {Identification of a respiratory-type nitrate reductase and its role for survival of mycobacterium smegmatis in wayne model}, journal = {Microbial Pathogenesis}, volume = {41}, number = {2-3}, year = {2006}, month = {AUG}, pages = {90-95}, publisher = {ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD}, type = {Article}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {
Nitrate reductase (NR) is found to be expressed in certain mycobacterium sp. whose link with the development of persistence is yet to be resolved. The present study demonstrates the action of selective inhibitors on NR as well as in the survival of Mycobacterium smegmatis using Wayne{\textquoteright}s model. During gradual shift down to anaerobic stage in Wayne{\textquoteright}s model, conversion of nitrate to nitrite became apparent in M. smegmatis. More than 97 percent inhibition was observed for the conversion of nitrate to nitrite by azide (0.05 mM) and thiocyanate (20 mM) in both whole-cell as well as its cell-free lysate, respectively. Under identical condition, chlorate (20 mM) inhibited nitrate reduction by 67 and 10 percent, respectively. At these concentrations, neither of azide, thiocyanate nor chlorate had any significant effect on cell growth under aerobic condition. In Wayne{\textquoteright}s culture model, thiocyanate and chlorate inhibited the growth of M. smegmatis by almost 2 logs at the same concentrations whereas azide inhibited by almost 1.75 log when added at the time of inoculation. Exposure of same culture at 96 h after inoculation in Wayne{\textquoteright}s model to these inhibitors showed 1.74, 1.95 and 2.37 log inhibition of viable cells with respect to azide, thiocyanate and chlorate. These findings further indicated that NR inhibitors kill the bacilli at anaerobic stage under the experimental condition mentioned. Metronidazole (MTZ) (2 mM) and Nitrofurantoin (NIT) (0.3 mM) reduced the cell number at both stages by \< 0.7log. They did not have any effect on NR. Altogether, the results clearly indicate that NR-specific inhibitors could become more promising in killing the bacilli at anaerobic stage than the available conventional drugs. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {Mycobacterium smegmatis, nitrate reductase, Wayne model}, issn = {0882-4010}, doi = {10.1016/j.micpath.2006.04.006}, author = {Khan, Arshad and Sarkar, Dhiman} } @article { ISI:000238978400001, title = {Improved time series prediction with a new method for selection of model parameters}, journal = {Journal of Physics A-Mathematical and General}, volume = {39}, number = {30}, year = {2006}, month = {JUL}, pages = {L483-L491}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
A new method for model selection in prediction of time series is proposed. Apart from the conventional criterion of minimizing RMS error, the method also minimizes the error on the distribution of singularities, evaluated through the local Holder estimates and its probability density spectrum. Predictions of two simulated and one real time series have been done using kernel principal component regression (KPCR) and model parameters of KPCR have been selected employing the proposed as well as the conventional method. Results obtained demonstrate that the proposed method takes into account the sharp changes in a time series and improves the generalization capability of the KPCR model for better prediction of the unseen test data.
}, issn = {0305-4470}, doi = {10.1088/0305-4470/39/30/L01}, author = {Jade, A. M. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000239975900022, title = {In situ optical emission spectroscopic investigations during arc plasma synthesis of iron oxide nanoparticles by thermal plasma}, journal = {IEEE Transactions on Plasma Science}, volume = {34}, number = {4, 1}, year = {2006}, month = {AUG}, pages = {1175-1182}, publisher = {IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC}, type = {Article}, address = {445 HOES LANE, PISCATAWAY, NJ 08855 USA}, abstract = {
Investigations using in situ precursor spectroscopy during the growth of nanoparticles of iron oxide by thermal plasma induced gas phase condensation method have been shown to be useful for correlating the size of nanoparticles with existing plasma parameters. The relative abundance of ionized Fe species inside the plasma plume is seen to directly establish the relation between particle size, arc current, arc length, and ambient pressure of the reacting oxygen gas. The argon plasma from a transferred arc reactor is made to impinge on the anode that is allowed to vaporize and react with oxygen. The spectral line profiles of both Ar and Fe along the plasma column during the synthesis of nanoparticles have been proved to be useful in understanding the growth mechanism. Band intensities of FeO molecular states indicated the inverse relation with particle sizes that have been correlated to the two competitive processes in which energy is released, namely: 1) one involving the radiative transition and 2) the other that of the growth by coagulation. Atomic Boltzmann plots are used for estimating the temperatures of the zones, whereas particle sizes have been inferred using transmission electron microscopic measurements.
}, keywords = {plasma arc device, plasma-materials processing applications, spectroscopy}, issn = {0093-3813}, doi = {10.1109/TPS.2006.878430}, author = {Banerjee, Indrani and Joshi, N. K. and Sahasrabudhe, S. N. and Kulkarni, Naveen V. and Karmakar, Soumen and Pasricha, R. and Ghorui, S. and Tak, Atul K. and Murthy, Shri P. S. S. and Bhoraskar, S. V. and Das, A. K.} } @article { ISI:000236313300022, title = {Influence of extended pi-conjugation units on carrier mobilities in conducting polymers}, journal = {Chemical Physics Letters}, volume = {420}, number = {4-6}, year = {2006}, month = {MAR}, pages = {387-390}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Carrier mobilities in thin films of copolymers with repeat units consisting of oligothiophenes bridged by Si atoms are measured over a range of doping levels, where the numbers of thienylenes in the repeat unit are 7, 8, 10, 12, and 14. The mobilities for these polymer films increased with the increase in doping level and the mobility enhancement followed an increasing order of the pi-conjugation length. The magnitude of the mobility increase for the Si polymer comprising 14 thiophene units reached ca. 10(4), implying that this pi-conjugation length is almost sufficient to reproduce transport properties of polythiophenes. (c) 2006 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2006.01.009}, author = {Harima, Yutaka and Kim, D. H. and Tsutitori, Y. and Jiang, Xiaoqing and Patil, R. and Ooyama, Y. and Ohshita, J. and Kunai, A.} } @article { ISI:000241506400143, title = {Intact cell MALDI mass spectrometry as a tool to screen drugs in vivo for regulation of protein expression}, journal = {Molecular \& Cellular Proteomics}, volume = {5}, number = {10, S}, year = {2006}, month = {OCT}, pages = {S62}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, type = {Meeting Abstract}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, issn = {1535-9476}, author = {Kulkarni, Mahesh J. and Vinod, V. P. and Umashankar, P. K. and Patole, M. and Rao, M.} } @article { ISI:000242646200011, title = {Interaction induced shifts in O-H stretching frequency of water in halide-ion water clusters: a microscopic approach with a bond descriptor}, journal = {Journal of Chemical Physics}, volume = {125}, number = {21}, year = {2006}, month = {DEC}, pages = {Article No. 214304}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Based on conceptual density functional theory, two new descriptors, the normalized atom-condensed Fukui functions (NFFs) and bond deformation kernel (BDK), are proposed to describe the O-H stretching frequency shifts in water halide-ion clusters by including local polarizations in the system. NFF, along with BDK, can be successfully used to describe interactions between different atoms, especially in cases where polarizations are quite important. (c) 2006 American Institute of Physics.
}, issn = {0021-9606}, doi = {10.1063/1.2400225}, author = {Tanwar, Akhilesh and Bagchi, Biman and Pal, Sourav} } @article { ISI:000240554000009, title = {Ionic liquid promoted facile one-pot synthesis of 1-pyridylimidazo[1,5-a]pyridines from dipyridylketone and aryl aldehydes}, journal = {Synthesis-Stuttgart}, number = {17}, year = {2006}, month = {SEP}, pages = {2849-2854}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A highly efficient one-pot methodology has been developed to synthesize a class of substituted 1-pyridylimidazo[ 1,5-a]pyridines, using Bronsted acidic ionic liquid 1-butylimidazolium tetrafluoroborate, [Hbim]BF4 in excellent isolated yields in the absence of any catalyst. The methodology is characterized by simple work-up procedures along with efficient recovery and recycling of the ionic liquid, which acts as a reaction medium as well as a promoter.
}, keywords = {5-a]pyridines, Aldehyde, ammonium acetate, heterocycles, imidazo[1, ionic liquids}, issn = {0039-7881}, doi = {10.1055/s-2006-942522}, author = {Siddiqui, Shafi A. and Potewar, Taterao M. and Lahoti, Rajgopal J. and Srinivasan, Kumar V.} } @article { ISI:000238989300008, title = {Irradiation effects of 12 eV oxygen ions on polyimide and fluorinated ethylene propylene}, journal = {Radiation Effects and Defects in Solids}, volume = {161}, number = {8}, year = {2006}, month = {AUG}, pages = {495-504}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Polyimide (PI) and Fluorinated Ethylene Propylene (FEP) samples (15mm x 15mm x 50 mu m ) were exposed to atomic oxygen ions of average energy similar to 12 eV and flux similar to 5x10(13) ions cm(-2) s(-1) , produced in the Electron Cyclotron Resonance (ECR) plasma. The energy and the flux of the oxygen ions at different positions in the plasma were measured by a retarding field analyzer. The fluence of the oxygen ions was varied from sample to sample in the range of similar to 5x10(16) to 2x10(17) ions cm(-2) by changing the irradiation period. The pre- and the post-irradiated samples were characterized by the weight loss, Scanning Electron Microscopy (SEM), X-ray Photoelectron Spectroscopy (XPS), and Fourier Transform Infrared (FTIR) techniques. The weight of the PI and FEP samples decreased with increasing the ion fluence. However, the erosion yield for the PI is found to be higher, by almost a factor five, when compared with that of FEP. On the surface region of irradiated samples, the concentrations of the carbon, fluorine, and oxygen and their corresponding chemical bonds have changed appreciably. Moreover, blisters and nanoglobules were also observed even at a fluence of similar to 10(17) ions cm(-2) . This oxygen ion fluence is almost two orders of magnitude lower than that of the 5 eV atomic oxygen, which a satellite encounters in the space, at the low Earth orbit, during its mission period of about 7 years.
}, keywords = {atomic oxygen, ECR plasma, FEP, FTIR, Polyimide, SEM, weight loss, XPS}, issn = {1042-0150}, doi = {10.1080/10420150600810224}, author = {Majeed, Riyadh M A Abdul and Purohit, V. S. and Bhoraskar, S. V. and Mandale, A. B. and Bhoraskar, Vasant N.} } @article { ISI:000237850400006, title = {Isolation of new straight chain compounds from acacia nilotica}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {45}, number = {5}, year = {2006}, month = {MAY}, pages = {1231-1233}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
A novel diester, pentacosane dioic acid dihexadecyl ester 1 has been isolated for the first time from n-hexane soxhlet extract of Acacia nilotica. Saponification of the diester reveals the presence of an alcohol, hexadecanol and pentacosane dioic acid. The structures of both the compounds are confirmed by GCMS analysis. Saponification of pet-ether extract of Acacia nilotica has been carried out. Unsaponiflable matter is further purified by column chromatography followed by repeated mixed solvent crystallization to afford heptacosan-1,2,3-triol 2.
}, keywords = {Acacia nilotica, diester, pentacosane dioic acid, saponification}, issn = {0376-4699}, author = {Chaubal, Rohini and Tambe, Amruta and Biswas, Sujata and Rojatkar, Supada and Deshpande, Vishnu and Deshpande, Nirinala} } @article { ISI:000239793100088, title = {La0.7Sr0.3MnO3 nanoparticles coated with fatty amine}, journal = {Applied Physics Letters}, volume = {89}, number = {2}, year = {2006}, month = {JUL}, pages = {Article No. 023107}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
We report on the synthesis of La0.7Sr0.3MnO3 (LSMO) nanoparticles having perovskite structure and particle size of the order of 30 rim. The process involves citrate-gel synthesis, size filtering, and; surface coating with a shell of octadecyl amine (ODA) using electrostatic interaction-assisted novel chemical route. Magnetic measurements show the Curie temperature of similar to 360 K establishing the desired stoichiometry and phase. Fourier transform infrared-studies bring out. that the amine group of ODA interacts with the LSMO surface. Refluidization yields uniform redispersion of the coated and dried powder. (c) 2006 American Institute of Physics.
}, issn = {0003-6951}, doi = {10.1063/1.2210080}, author = {Rajagopal, Rajashree and Mona, J. and Kale, Sangeeta N. and Bala, Tanushree and Pasricha, Rem and Poddar, P. and Sastry, M. and Bhagavatula L. V. Prasad and Kundaliya, Darshan C. and Ogale, S. B.} } @article { ISI:000237485300010, title = {Ligand-, copper-, and amine-free one-pot synthesis of 2-substituted indoles via Sonogashira coupling 5-endo-dig cyclization}, journal = {Tetrahedron}, volume = {62}, number = {21}, year = {2006}, month = {MAY}, pages = {5109-5115}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Results of the optimized conditions for the one-pot synthesis of 2-substituted indoles via palladium acetate catalyzed tandem Sonogashira coupling 5-endo-dig cyclization at room temperature under ultrasonic irradiation and standard stirred conditions are described. Electron-donating and electron-withdrawing groups present in both Coupling partners were well tolerated under these mild conditions. A copper-, ligand- and amine-free condition is an important feature of this protocol. Significant enhancement of reaction rates was observed for the reactions employing ultrasonic irradiation. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {5-endo-dig cyclization, Indole, synthesis, Ultrasound}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.03.035}, author = {Palimkar, Sanjay S. and Kumar, P. Harish and Lahoti, Rajgopal J. and Srinivasan, Kumar V.} } @article { ISI:000239077500014, title = {Liquid phase alkylation of phenol with 1-octene over large pore zeolites}, journal = {Applied Catalysis A-General}, volume = {309}, number = {1}, year = {2006}, month = {JUL}, pages = {106-114}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A comparative study is presented of the liquid phase alkylation of phenol with 1-octene over different zeolite catalysts: H-beta (BEA(15)), H-mordenite (MOR(11)) and H-USY (FAU(15)). A wide spectrum of monoalkylated products, identified as isomers of phenyl octyl ether (O-alkylate) and octyl phenol (C-alkylate), was formed in the reaction. The reaction was studied in detail over BEA(15), such studies included the influence of process variables such as temperature, reactant mole ratio, catalyst amount and alkali metal (K) poisoning on its performance in the alkylation reaction. A kinetic analysis of the reaction over BEA(15) was also carried out assuming a second order parallel reaction mechanism. The activity of the different catalysts for the reaction followed the order: BEA(15) \> FAU(15) \> MOR(11). The poisoning of BEA(15) with potassium resulted in a decrease in the catalyst activity concomitant with a decrease in the number of strong acid centres in the catalyst. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {1-octene, alkyl phenols, Alkylation, phenol, zeolites}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.04.041}, author = {Wagholikar, Smita and Mayadevi, S. and Sivasanker, S.} } @article {Rai, title = {Liquid phase oxidation of alkanes using Cu/Co-perchlorophthalocyanine immobilized MCM-41 under mild reaction conditions}, journal = {Applied Catalysis A-General}, volume = {297}, number = {2}, year = {2006}, month = {JAN}, pages = {220-230}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
{Amino-functionalized MCM-41 (NH2-MCM-41) was used to immobilize CU/CO-Cl16PC complex, i.e. Cu/Co-AM(PS) for liquid phase oxidation of alkanes under mild reaction conditions. Higher rates of reaction and better catalytic activity values were obtained for Cu/Co-AM(PS) as compared to Cu/Co-Cl16PC grafted on (i) amino-functionalized SiO2 [
}, keywords = {Ceramics, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0272-8842}, doi = {10.1016/j.apcata.2005.09.012}, author = {Karandikar, Prashant R. and Chandwadkar, Asha J. and Agashe, M. and Ramgir, N. S. and Sivasanker, S.} } @article { ISI:000239869200024, title = {Low temperature hydrogenation of tetralin over supported rhodium catalysts in supercritical carbon dioxide solvent}, journal = {Applied Catalysis A-General}, volume = {310}, year = {2006}, month = {AUG}, pages = {194-198}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Hydrogenation of tetralin was studied over supported rhodium catalysts in supercritical carbon dioxide solvent at 333 K. The results were compared with those in an organic solvent and under neat conditions. Higher cis-decalin yield was obtained in supercritical carbon dioxide solvent than under non-supercritical conditions. It was observed that higher hydrogen concentration at the surface in supercritical carbon dioxide solvent led to fast direct hydrogenation of tetralin to cis-decalin; the flipping of the intermediate, octalin, to give trans-decalin could be prevented. (C) 2006 Elsevier B.V. All rights reserved.
}, keywords = {cis-decalin, Hydrogen storage, Hydrogenation, Supercritical carbon dioxide, supported rhodium catalysts, tetralin}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.05.040}, author = {Hiyoshi, Norihito and Mine, Eiichi and Rode, Chandrashekhar V. and Sato, Osamu and Shirai, Masayuki} } @article { ISI:000235439900024, title = {Low temperature route to prepare LaMnO3}, journal = {Materials Letters}, volume = {60}, number = {9-10}, year = {2006}, month = {MAY}, pages = {1213-1214}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A combination of digestion and further low temperature calcination to crystallize the product is employed to prepare LaMnO3(LM) ceramics. Freshly co-precipitated lanthanum and manganese hydroxides gel is allowed to react at 100 degrees C under refluxing and stirring conditions for 6-12 h. The X-ray amorphous product so formed is heated at 300 degrees C to form crystalline LM powders. This is the lowest temperature so far reported for the formation of LaMnO3. Transmission electron microscope (TEM) investigations revealed that the average particle size is 50 nm for the calcined powders. (c) 2005 Elsevier B.V All rights reserved.
}, keywords = {Chemical synthesis, LaMnO3, Precipitation, transmission electron microscopy, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.11.002}, author = {Daundkar, A. and Kale, Sangeeta N. and Gokhale, Suresh P. and Ravi, V} } @article { ISI:000238717900020, title = {Magnetic properties of NiCuZn ferrites synthesized by oxalate precursor method}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {305}, number = {1}, year = {2006}, month = {OCT}, pages = {110-119}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Ni-Cu-Zn ferrites have been synthesized by employing co-precipitation technique using oxalate precursors. X-ray diffractograms did not show impurity phases, indicating single-phase formation of the ferrites. The diffractograms of oxalate complex decomposed at 650 degrees C show that ferritization is complete up to 650 degrees C. Lattice parameter a (angstrom) was found to decrease with the addition of Ni2+ which is attributed to ionic sizes of Ni2+ (0.69 angstrom), which replaces Cu2+ (0.72 angstrom). From the thermogravimetric studies it is observed that the experimentally observed total mass loss (\%), agrees with theoretically calculated mass loss (\%) indicating maintenance of requisite stoichiometry. Initial permeability (mu(i)) shows increase when Ni2+ is added up to x = 0.15 while for (x \> 0. 15), it decreases. The increase in initial permeability (mu(i)) is attributed to monotonic increase in Ms, and K-1 on addition of Ni2+. However, the microstructure and density (porosity) also influence mu(i) variations. The decrease in pi is attributable to increase of K-1. The composition with density 91.14\% exhibits large mu(i) which also tends to increase with temperature up to 60 degrees C. Thus its usable range extends up to 60 degrees C. This samples has T-c near to 160 degrees C. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {initial permeability, magneticproperties, Magnetization, NiCuZn ferrites, XRD}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2005.11.041}, author = {Ghodake, S. A. and Ghodake, U. R. and Sawant, S. R. and Suryavanshi, S. S. and Bakare, P. P.} } @article { ISI:000236419800016, title = {MCM-41-supported platinum carbonyl cluster-derived catalysts for asymmetric and nonasymmetric hydrogenation reactions}, journal = {Journal of Catalysis}, volume = {239}, number = {1}, year = {2006}, month = {APR}, pages = {154-161}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Anionic platinum carbonyl Cluster ([Pt-12(CO)(24)](2-)) was ion-paired with the 3-chloropropyltrimethoxysilyl-ammonium group chemically bound to the surface of MCM-41. The materials undergo quick decarbonylation and have been characterized before decarbonylation by IR and UV-vis spectroscopy and after decarbonylation by XPS and TEM. They have been used as catalysts for the hydrogenations of methyl pyruvate, acetophenone, nitrobenzene, benzonitrile, and ethylacetoacetate. The support and the quaternary ammonium groups have significant effects on surface platinum concentration, crystallite size, and observed activity. In the hydrogenation of the prochiral substrates methyl pyruvate or acetophenone, the cinchonidine-based catalyst gives significant enantioselectivity under optimum conditions. A kinetic model that includes an enantioselective product-formation step and a hydrogen pressure-dependent step for the deactivation of the enantioselective sites gives reasonable agreement between predicted and observed enantioselectivity. The model is also in accordance with the XPS and TEM data. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {asymmetric/non-asymmetric catalysis, Enantioselectivity, functionalized MCM-41, hydrogenation catalysts, platinum carbonyl cluster}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.01.032}, author = {Basu, Susmit and Mapa, Maitri and Gopinath, Chinnakonda S. and Doble, Mukesh and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000236648300008, title = {Mesoporous molecular sieve (MCM-41)-filled sodium alginate hybrid nanocomposite membranes for pervaporation separation of water-isopropanol mixtures}, journal = {Separation of Purification Technology}, volume = {49}, number = {1}, year = {2006}, month = {APR}, pages = {56-63}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Sodium alginate (NaAlg) and the inesoporous molecular sieve (MCM-41)-filled NaAlg nanocomposite membranes have been prepared by solution casting and crosslinked with glutaraldehyde. Pervaporation performance of the MCM-41-filled NaAlg membranes has been tested and compared with plain NaAlg membrane for dehydrating isopropanol at 30 degrees C. In the studied feed composition range of 10-50 mass\% of water, 20 mass\% MCM-41-loaded NaAlg membrane gave the highest selectivity ranging between 29,991 and 3332 in the range of feed water compositions of 10-50 mass\%. Flux for the plain NaAlg membrane ranged between 0.067 and 0.340 kg/(m(2)h), while for 20 mass\% MCM-41-filled NaAlg membrane, flux increased to 0.110 and 0.555 kg/(m(2)h). To the best of our knowledge, this is the first study reported on the membrane forming properties of an admixed hybrid composite of a mesoporous molecular sieve (MCM-41) with NaAlg used in dehydration of isopropanol, yielding high selectivity to water at higher loadings of the molecular sieve as a filler. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {flux and selectivity, nanocomposite membranes, pervaporation, sodium alginate, water-isopropanol}, issn = {1383-5866}, doi = {10.1016/j.seppur.2005.08.006}, author = {Bhat, S. D. and Naidu, B. V. K. and Shanbhag, G. and Halligudi, Shivaraj B. and Sairam, M. and Aminabhavi, Tejraj M.} } @article {31}, title = {Metal-induced reductive ring opening of 1,2,4,5-tetrazines: Three resulting coordination alternatives, including the new non-innocent 1,2-diiminohydrazido(2-) bridging ligand system}, journal = {Inorganic Chemistry}, volume = {45}, number = {3}, year = {2006}, month = {FEB }, pages = {1316-1325}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
{Reaction of 3,6-diaryl-1,2,4,5-tetrazines (aryl = R = phenyl, 2-furyl or 2-thienyl) with 2 equiv of Ru(acac)(2)(CH3-CN)(2) results in reductive tetrazine ring opening to yield diruthenium complexes [
}, keywords = {crystal engineering, hydrogen bonds, molecular, recocynition, Self-assembly, supramolecular chemistry}, issn = {0947-6539}, doi = {10.1021/ic051532p}, author = {Maji, Somnath and Sarkar, B. and Patra, S. and Fiedler, Jan and Mobin, Shaikh M. and Puranik, Vedavati G. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000239295800003, title = {Methane reforming over a high temperature stable-NiCoMgOx supported on zirconia-hafnia catalyst}, journal = {Chemical Engineering Journal}, volume = {121}, number = {2-3}, year = {2006}, month = {AUG}, pages = {73-77}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The unusually high temperature stable NiCoMgOx (Ni/Co/Mg: 1:0.2:1.2)/zirconia-hafnia catalyst has been investigated for syngas generation via the catalytic partial oxidation of methane (CPOM), oxidative steam reforming of methane (OSRM) and oxidative CO2 reforming of methane (OCRM) processes. The catalyst, even when calcined at 1400 degrees C for 4 h, showed excellent activity/selectivity for the CPOM, OSRM and the OCRM reactions. On account of its high thermal stability, hot spots in the catalyst bed and/or high temperatures prevailing at the catalyst surface during the oxy-reforming processes would have little or no effect on the catalytic activity/selectivity of the NiCoMgOx/zirconia-hafnia catalyst, thus making the catalyst suitable even for operating under adiabatic conditions. While the selectivity for CO increased considerably with increasing reaction temperature for the CPOM process, the selectivity for H-2 was affected to a much lesser extent. The selectivity for CO and H-2 in the CPOM reaction was found to decrease with increasing space velocity; the H-2 selectivity was however affected to a greater extent. For the OSRM process, the H2O/CH4 ratio profoundly influenced the H-2/CO ratio and the heat of the reaction. Depending on the H2O/CH4 ratio, the OSRM process could be operated in a mildly exothermic, thermoneutral or mildly endothermic mode. The CO2 conversion increased rapidly with increasing OCRM temperature and correspondingly the exothermicity of the OCRM reaction was found to decrease with increasing reaction temperature. At 900 degrees C, the OCRM reaction was mildly exothermic and provided high methane conversion and syngas selectivity. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {high temperature stable catalyst, methane, oxy-dry reforming, oxy-steam reforming, Partial oxidation}, issn = {1385-8947}, doi = {10.1016/j.cej.2006.05.007}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Choudhary, Tushar V.} } @article { ISI:000236901300003, title = {Micellar behavior of dodecyldimethylethyl ammonium bromide and dodecyltrimethyl ammonium chloride in aqueous media in the presence of diclofenac sodium}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {278}, number = {1-3}, year = {2006}, month = {APR}, pages = {17-25}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The micellar properties of cationic surfactants (S) viz. dodecyldimethylethyl ammonium bromide (DDAB) and dodecyltrimethylammonium chloride (DTAC) in aqueous media in the presence of diclofenac sodium (D) have been investigated by spectroscopic and conductivity measurements. The UV-vis and H-1 NMR studies suggest possible packing of diclofenac sodiurn molecules in the micelles. The conductivity studies were carried out over the temperature range 288.15-308.15 K. The critical micelle concentration (cmc) and degree of counterion binding (beta) of the micelles were determined at different temperatures. Delay in micellisation was observed for both DDAB and DTAC. Thermodynamic parameters (Delta G(m)(0) Delta H-m(0) and Delta S-m(0).) for the micelle system were estimated by applying the charged pseudo-phase separation model. The results of the ternary S/D/W system were analysed in comparison with the reported results of binary SAV system. The Delta G(m)(0) values for the ternary S/D/W system in both the cases show an increase in comparison to the respective binary SAV system. However, Delta S-m(0) decreased with temperature and remained positive in both the systems. At lower temperatures, the micellisation was found to be entropy-driven while at higher temperatures it was enthalpy-dfiven. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {diclofenac sodium, dodecyldimethylethylammonium bromide, dodecyltrimethylammoniurn chloride, Electrical conductivity, spectroscopic measurements}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2005.11.071}, author = {Mehta, S. K. and Bhasin, K. K. and Kumar, Anil and Dham, S.} } @conference { ISI:000238125903358, title = {Micellization and colloidal adsorption of a model polyelectrolyte diblock copolymer in selective solvent: theoretical model combining scaling and lattice mean field approaches}, booktitle = { 231st National Meeting of the American-Chemical-Society}, volume = {231}, year = {2006}, note = {231st National Meeting of the American-Chemical-Society, Atlanta, GA, MAR 26-30, 2006}, month = {MAR}, pages = {358-COLL}, publisher = {American Chemical Society}, organization = {American Chemical Society}, type = {Meeting Abstract}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, issn = {0065-7727}, author = {Natarajan, Upendra and Poddar, Neha} } @proceedings {42734, title = {Microconverter ADuC842 and LabVIEW platform ? a best suitable approach for real time plotting of pressure area isotherm of a monolayer}, year = {2006}, month = {FEB}, pages = {70-73}, publisher = {World Scientific and Engineering Academy and Society (WSEAS)}, address = {Madrid, Spain}, author = {Iyer, Neelima and Khatavkar, Rupali and Joshi, Bhagyashree} } @article { ISI:000239381500020, title = {Micropropagation of Indian laurel (Calophyllum inophyllum), a source of anti-HIV compounds}, journal = {Current Science}, volume = {90}, number = {10}, year = {2006}, month = {MAY}, pages = {1393-1397}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {
An efficient protocol for in vitro micropropagtion of Calophyllum inophyllum (Linn.), an evergreen littoral tree, through multiple shoot formation from seed explants was developed. In vitro germination of the seeds was standardized on Woody Plant Medium (WPM) hormone free and/or supplemented with 6-benzylaminopurine (BAP; 2.22 mu M) and on half or full strength MS medium. Multiple shoot formation was achieved on WPM supplemented with BAP (2.22-44.00 mu M) and thidiazuron (TDZ; 0.91-4.54 mu M) from the decapitated seedling explants. The maximum multiple shoots, 20.9 per explant were induced on TDZ (0.91 mu M) after two subcultures. Elongated shoots of size \> 4.0 cm were obtained on all media combinations with an average of 2.2-8.7 per explant. Elongation of the stunted shoots induced on BAP and TDZ was done on half strength WPM without any growth hormones. The elongated shoots on half WPM and/or full strength WPM supplemented with indole-3-butyric acid (2.46-24.60 mu M) alone or in combination with BAP (2.22 mu M) resulted in 52\% rooting with 1-5 roots per rooted plant. The micropropagated plants were acclimatized successfully with 77\% survival rate after five weeks. These plants were planted in the institute campus for ex situ conservation, where 72\% plants are showing good growth and development.
}, keywords = {Calophyllum inophyllum, ex situ conservation, micropropagation, seed}, issn = {0011-3891}, author = {Thengane, Shubhada Ratnakar and Bhosle, S. V. and Deodhar, Swapna R. and Pawar, K. D. and Kulkarni, D. K.} } @article { ISI:000238716600010, title = {Microwave assisted fast and clean conversion of mesylate to azide: synthesis of (1S,2R/1R,2S)-1-azido-2-carbocyclic amines as immediate precursors to versatile 1,2-cis-diamines}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {45}, number = {6}, year = {2006}, month = {JUN}, pages = {1492-1498}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
An efficient and rapid conversion of mesylate to azide under microwave irradiation has been carried out. It proceeds through inversion of configuration from chiral mesylates to provide optically pure cis-azides, immediate precursors of vicinal-cis-1,2-diamines. These diamines can serve as metal ligands in asymmetric catalysis and their derivatives can be employed as medicinal agents.
}, keywords = {asymmetric catalysis, Azide, diamines, medicinal agent, mesylate, microwave irradiation}, issn = {0376-4699}, author = {Govindaraju, T.} } @article { ISI:000239573100068, title = {Minimum magnetizability principle}, journal = {Journal of Chemical Physics}, volume = {125}, number = {5}, year = {2006}, month = {AUG }, pages = {Article No. 056101}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, issn = {0021-9606}, doi = {10.1063/1.2227381}, author = {Tanwar, Akhilesh and Pal, Sourav and Roy, Debesh Ranjan and Chattaraj, Pratim Kumar} } @article { ISI:000236715600020, title = {Modeling of rotary cement kilns: applications to reduction in energy consumption}, journal = {Industrial \& Engineering Chemistry Research}, volume = {45}, number = {7}, year = {2006}, month = {MAR}, pages = {2315-2330}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Rotary cement kilns are used for converting calcineous raw meal into cement clinkers. In this paper, we discuss and evaluate possible ways of reducing energy consumption in rotary cement kilns. A comprehensive one-dimensional model was developed to simulate complex processes occurring in rotary cement Kilns. A modeling strategy comprising three submodels. viz. a model for simulating the variation of bed height in the kiln, a model for simulating reactions and heat transfer in the bed region, and a model for simulating coal combustion and heat transfer in the freeboard region, was developed. Melting and formation of coating within the kiln were accounted for. Combustion of coal in the freeboard region was modeled by accounting for devolatilization, finite-rate gas-phase combustion, and char reaction. The simulated results were validated with the available data from three industrial kilns. The model was then used to understand the influence of various design and operating parameters on kiln performance. Several ways of reducing energy consumption in kilns were then computationally investigated. The model was also used to propose and to evaluate a practical solution of using a secondary shell to reduce energy consumption in rotary cement kilns. Simulation results indicate that varying kiln operating variables, viz. solid flow rate or RPM, can result only in small changes in kiln energetics. Use of a secondary shell over the kiln and energy recovery by passing air through the annular gap between the two appears to be a promising way to achieve significant energy savings. The developed model and the presented results will be useful for enhancing the performance of rotary cement kilns.
}, issn = {0888-5885}, doi = {10.1021/ie050617v}, author = {Mujumdar, Kaustubh S. and Arora, Amit and Ranade, V. V.} } @article { ISI:000240831600022, title = {Modifications in magnetic anisotropy of M-type strontium hexaferrite crystals by swift heavy ion irradiation}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {305}, number = {2}, year = {2006}, month = {OCT}, pages = {392-402}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Using vibrating sample magnetometery (VSM) 50 MeV Li(3+) ion irradiation effects on magnetic properties of single crystals of SrGa(x)In(y)Fe(12-(x+y))O(19) (where x = 0, 5, 7, 9; y = 0, 0.8, 1.3, 1.0), are reported. The substitution of Ga and In in strontium hexaferrite crystals decreases the value of magnetization sharply, which is attributed to shifting of collinear magnetic order to a non-collinear one. Reduction of magnetization is also explained to be as a result of the occupation of the crystallographic sites of Fe(3+) by Ga(3+) and In(3+). The Li(3+) ion irradiation decreases the value of magnetization, irrespective of whether the crystals are Ga-In substituted or unsubstituted crystals of SrFe(12)O(19). The result is interpreted in terms of the occurrence of a paramagnetic doublet in crystals replacing magnetic sextuplet as a result of irradiation. Substitution of Ga-In in Strontium hexaferrite decreases the value of anisotropy constant. Irradiation with Li(3+) ions increases the values of anisotropy field for both substituted as well as unsubstituted crystals. Substitution with Ga-In also decreases the Curie temperature (T(c)) but the irradiation with Li(3+) ions does not affect the curie temperature of either Ga-In substituted or pure SrFe(12)O(19) crystals. (C) 2006 Elsevier B.V. All rights reserved.
}, keywords = {anisotropy field, Curie temperature, irradiation, Magnetic anisotropy, Magnetization}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2006.01.110}, author = {Kaur, Balwinder and Bhat, Monita and Licci, F. and Kumar, Ravi and Kulkarni, S. D. and Joy, Pattayil Alias and Bamzai, K. K. and Kotru, P. N.} } @article { ISI:000237837500023, title = {Molecular geometry from molecular tensegrity: a case study of gas-phase MX2 compounds}, journal = {Current Science}, volume = {90}, number = {9}, year = {2006}, month = {MAY}, pages = {1251-1253}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {
We define a tensegrity factor, t(00)(+/-), for X-M-X linkages of gas-phase MXn compounds (X is an atom of an insulating element) that is a measure of the matching of {\textquoteleft}ideal{\textquoteright} 1,2-(single-bonded) M-X distance, d(MX)(00), to the {\textquoteleft}ideal{\textquoteright} (non-bonded) 1,3-X{\textendash}-X distances, d(MX)(00). The actually observed 1,3-distance, d(XX) is given (within 1\% error) by 2CR(X)/F-S, where F-S (= 2-1.41(00)(+/-)) is shown to be an ab initio quantity with no adjustable parameter, no dependence on actual M-X distance or bond order and with 2CR(X) depending only on whether M is an atom of an insulating element (2CR(X) =d(XX)(00)) or whether M is metallic (2CR(X) = 1.1d(XX)(00)). This is illustrated for gas-phase MX2 compounds.
}, keywords = {gas-phase, molecular geometry, MX2 compounds, tensegrity}, issn = {0011-3891}, author = {Ganguly, Parthasarathy} } @article { ISI:000242621800023, title = {Molecular interactions between the specialist herbivore Manduca sexta (Lepidoptera, Sphingidae) and its natural host Nicotiana attenuata. VII. changes in the plant{\textquoteright}s proteome}, journal = {Plant Physiology}, volume = {142}, number = {4}, year = {2006}, month = {DEC}, pages = {1621-1641}, publisher = {AMER SOC PLANT BIOLOGISTS}, type = {Article}, address = {15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA}, abstract = {
When Manduca sexta attacks Nicotiana attenuata, fatty acid-amino acid conjugates (FACs) in the larvae{\textquoteright}s oral secretions (OS) are introduced into feeding wounds. These FACs trigger a transcriptional response that is similar to the response induced by insect damage. Using two-dimensional gel electrophoresis, matrix-assisted laser desorption ionization-time of flight, and liquid chromatography-tandem mass spectrometry, we characterized the proteins in phenolic extracts and in a nuclear fraction of leaves elicited by larval attack, and/or in leaves wounded and treated with OS, FAC-free OS, and synthetic FACs. Phenolic extracts yielded approximately 600 protein spots, many of which were altered by elicitation, whereas nuclear protein fractions yielded approximately 100 spots, most of which were unchanged by elicitation. Reproducible elicitor-induced changes in 90 spots were characterized. In general, proteins that increased were involved in primary metabolism, defense, and transcriptional and translational regulation; those that decreased were involved in photosynthesis. Like the transcriptional defense responses, proteomic changes were strongly elicited by the FACs in OS. A semiquantitative reverse transcription-PCR approach based on peptide sequences was used to compare transcript and protein accumulation patterns for 17 candidate proteins. In six cases the patterns of elicited transcript accumulation were consistent with those of elicited protein accumulation. Functional analysis of one of the identified proteins involved in photosynthesis, RuBPCase activase, was accomplished by virus-induced gene silencing. Plants with decreased levels of RuBPCase activase protein had reduced photosynthetic rates and RuBPCase activity, and less biomass, responses consistent with those of herbivore-attacked plants. We conclude that the response of the plant{\textquoteright}s proteome to herbivore elicitation is complex, and integrated transcriptome-proteome-metabolome analysis is required to fully understand this ubiquitous ecological interaction.
}, issn = {0032-0889}, doi = {10.1104/pp.106.088781}, author = {Giri, Ashok P. and Wuensche, Hendrik and Mitra, Sirsha Sribas and Zavala, Jorge A. and Muck, Alexander and Svatos, Ales and Baldwin, Ian T.} } @article { ISI:000243169700025, title = {Molecular tensegrity: predicting 1,3-X{\textendash}-X distance in gas-phase MXn (n <= 4) compounds from atomic sizes}, journal = {Current Science}, volume = {91}, number = {11}, year = {2006}, month = {DEC}, pages = {1505-1508}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {
This article extends an earlier definition(1) and use of molecular tensegrity for obtaining quantitatively the 1,3-non-bonded distances in gas-phase MX2 compounds to nearly 160 gas-phase MXn (n \<= 4) inorganic compounds (including those of transition metal elements), once a transferable {\textquoteleft}core{\textquoteright} atomic size is specified. The simple principles behind this methodology (involving only linear equations), its quantitative character, its transparency, its portability and its generality account very simply for molecular geometry in such compounds without requiring earlier theoretical methodologies. We also establish clear distinction in the prescription for obtaining the 1,3-distance when M is an atom of a metallic or insulating element.
}, keywords = {Atomic size, gas phase, molecular tensegrity, non-bonded distance}, issn = {0011-3891}, author = {Ganguly, Parthasarathy} } @article {43385, title = {Morphological mutants of gibberella fujikuroi for enhanced production of gibberellic acid}, journal = {Journal of Applied Microbiology}, volume = {100}, year = {2006}, month = {JAN}, pages = {65-72}, abstract = {
Aims: To examine the production of gibberellic acid by selected morphological mutants of Gibberella fujikuroi in liquid cultures. Methods and Results: Mutants of G. fujikuroi having different morphological characteristics were selected after UV irradiation. The production of gibberellic acid by mutants that had different hyphal lengths was examined in shake flasks in media with different concentrations of nutrients as well as different volumes of the medium. Fed-batch fermenter study was performed to evaluate the mutant Mor-25 for growth and production of gibberellic acid. The broth was analysed by high performance liquid chromatography for fusaric acid, the common mycotoxin produced by strains of Fusarium. A variety of morphological mutants having different mycelial and soluble pigmentation as well as colony morphologies were generated from G. fujikuroi upon exposure to UV radiation. A nonpigmented mutant (Car-1) was selected as intermediate parent and later, mutants Mor-1 and Mor-25 were selected based on their distinct morphology. The colonies on regeneration agar plates were small, compact and dry. In liquid medium, mutant Mor-25 grew in a micro-pelleted form and the mycelium had short, highly branched hyphae, curly at tips with thick, swollen cells. Mutant Mor-25 grew rapidly in a low-cost medium containing defatted groundnut flour, sucrose and salts. In media with higher nutrient concentrations as well as larger volumes, it produced twofold more gibberellic acid than the parent. Fusaric acid, the common mycotoxin, was absent in the fermentation broth of mutant Mor-25. The mutants have been deposited in National Collection of Industrial Microorganisms (NCIM), National Chemical Laboratory, Pune, India under following culture collection numbers (Car-1, NCIM 1323; Mor-1, NCIM 1322; and Mor-25, NCIM 1321). Conclusion: Growth of unpigmented, morphological mutants of G. fujikuroi that led to lower viscosity in fermentation broth resulted in increased production of gibberellic acid. Significance and Impact of Study: The use of morphological mutants that have lower viscosity in liquid cultures for gibberellic acid production is not reported earlier. Similar mutants can be useful for other types of fungal fermentations also.
}, doi = {10.1111/j.1365-2672.2005.02754.x}, author = {Lale, Geetanjali and Jogdand, Vitthal V. and Gadre, Ramchandra V.} } @article { ISI:000238629400001, title = {NaIO4/KI/NaCl: a new reagent system for iodination of activated aromatics through in situ generation of iodine monochloride}, journal = {Tetrahedron Letters}, volume = {47}, number = {28}, year = {2006}, month = {JUL}, pages = {4793-4796}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A new reagent system consisting of NaIO4/KI/NaCl in aq AcOH has been found to be effective in iodinating a variety of activated aromatic substrates via in situ-generated iodine monochloride, to furnish iodoaromatics in excellent yields. This iodination procedure has been applied successfully for a cost-effective synthesis of 3,3{\textquoteright}-diaminobenzidine, a key intermediate for preparing proton conducting membranes for fuel cell applications, with high yield and a purity of 99.7\%. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.05.062}, author = {Emmanuvel, Lourdusamy and Shukla, Ravi Kant and Sudalai, Arumugam and Gurunath, Suryavanshi and Sivaram, Swaminathan} } @article { ISI:000238312300051, title = {NaIO4-mediated selective oxidation of alkylarenes and benzylic bromides/alcohols to carbonyl derivatives using water as solvent}, journal = {Journal of Organic Chemistry}, volume = {71}, number = {13}, year = {2006}, month = {JUN}, pages = {5043-5046}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new transition-metal-free, sodium metaperiodate (NaIO4)-mediated direct oxidation of methylarenes and benzylic bromides to the corresponding aromatic carboxylic acids is described. Under the same reaction conditions, benzylic alcohols are selectively oxidized to afford the corresponding aldehydes in good yields without undergoing overoxidation. Unprecedentedly, oxidation of benzyl bromide, toluene, or benzyl alcohol with NaIO4 underwent nuclear bromination followed by oxidation to give 4-bromobenzoic acid in 60-79\% yields.
}, issn = {0022-3263}, doi = {10.1021/jo0606305}, author = {Ali Shaikh, Tanveer Mahammad and Emmanuvel, Lourdusamy and Sudalai, Arumugam} } @article { ISI:000241203400011, title = {Nanocomposites of polypropylene impact copolymer and organoclays: role of compatibilizers}, journal = {Polymer International}, volume = {55}, number = {11}, year = {2006}, month = {NOV}, pages = {1270-1276}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
Nanocomposites of polypropylene impact copolymer and organoclays were prepared using different compatibilizers (polypropylene-graft-(maleic anhydride) (PPMA), polyethylene-graft-(maleic anhydride) (PEMA) and their mixture) and varying percentages of clay (3 and 6\%) in an attempt to obtain balanced mechanical properties. The nanocomposites were prepared by melt compounding and test specimens were prepared by injection molding. Mechanical properties such as tensile, flexural and Izod impact strength are reported. The clay dispersion was investigated using wide-angle X-ray diffraction while the phase morphology was characterized using scanning electron microscopy. It is shown that the mechanical properties of the system with mixed PPMA and PEMA compatibilizers showed the best balance of mechanical properties among the nanocomposites explored. (C) 2006 Society of Chemical Industry.
}, keywords = {clay, compatibilizers, Nanocomposites, polypropylene}, issn = {0959-8103}, doi = {10.1002/pi.2077}, author = {Deenadayalan, E. and Vidhate, Shailesh and Lele, Ashish K.} } @article { ISI:000236913600006, title = {Natural kaolinitic clay: a remarkable catalyst for highly regioselective chlorination of arenes with Cl-2 or SO2Cl2}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {45}, number = {4}, year = {2006}, month = {APR}, pages = {972-975}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
Natural kaolinitic clay containing transition metals such as Fe and Ti in its lattice has been found to exhibit unusual regioselectivity in the liquid-phase chlorination of arenes with either Cl-2 or SO2Cl2 as the chlorinating agent para-Chlorinated products are predominant for most of the substrates with an exceptional case of ortho-selectivity for the chlorination of aniline.
}, keywords = {Aniline, chlorination, chlorine, ortho-chloroaniline, sulfuryl chloride}, issn = {0376-4699}, author = {Jayachandran, B. and Phukan, P. and Daniel, Thomas and Sudalai, A.} } @article { ISI:000241320000002, title = {Nature and mode of addition of phosphate precursor in the synthesis of aluminum phosphate and its influence on methanol dehydration to dimethyl ether}, journal = {Catalysis Communications}, volume = {7}, number = {10}, year = {2006}, month = {OCT}, pages = {745-751}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Four aluminum phosphate catalysts with Al/P = 1 were prepared by precipitation of mixture of aluminum nitrate and phosphate precursor (either phosphoric acid or diammonium hydrogen phosphate) with NH3 and precipitation of aluminum nitrate with NH3 followed by impregnation of phosphate precursor (either phosphoric acid or diammonium hydrogen phosphate). The catalysts were characterized, using different physico-chemical methods viz., BET-S.A., XRD, FT-IR, and NH3-TPD. Al-27 and P-31 MAS NMR spectroscopy was used to characterize selected catalysts in order to find out the presence of Al and P environments. The catalytic conversion of methanol to dimethyl ether was conducted over these catalysts in a temperature range of 448-548 K at atmospheric pressure. AIPO(4) prepared by precipitating the mixture of aluminum nitrate and (NH4)(2)HPO4 with aq. NH3 generated more number of moderate acid sites and showed higher methanol dehydration activity with 100\% selectivity to DME at 548 K. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Al-27 and P-31 MAS NMR, aluminum phosphate, dehydration, dimethyl ether, Methanol, NH3-TPD}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.02.025}, author = {Kumar, V. Siva and Padmasri, A. H. and Satyanarayana, C. V. V. and Reddy, I. Ajit Kumar and Raju, B. David and Rao, K. S. Rama} } @article { ISI:000242059100038, title = {Nazarov reagent: a novel reagent for the synthesis of natural products}, journal = {Synlett}, number = {17}, year = {2006}, month = {OCT}, pages = {2853-2854}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, issn = {0936-5214}, doi = {10.1055/s-2006-950248}, author = {Kaur, Tanpreet} } @article { ISI:000238624000023, title = {Negative thermal expansion in silicalite-1 and zirconium silicalite-1 having MFI structure}, journal = {Materials Research Bulletin}, volume = {41}, number = {7}, year = {2006}, month = {JUL}, pages = {1392-1402}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In situ high temperature X-ray diffraction (HTXRD) studies on monoclinic silicalite-1 (S-1, silica polymorph of ZSM-5) and an orthorhombic metallosilicate molecular sieve, zirconium silicalite-1 (ZrS-1) with MFI structure (Si/Zr = 50) have been carried out using a laboratory X-ray diffractometer with an Anton Parr HTK 1600 attachment. While the structure of the S-I collapsed at 1123 K forming alpha-cristobalite. S-1 and ZrS-1 showed a complex thermal expansion behavior in the temperature range 298-1023 K, ZrS-1 was stable. Powder X-ray diffraction (PXRD) data taken in this region have shown strong negative lattice thermal expansion coefficient, alpha(v) = -6.75 x 10(-6) and - 17.92 x 10(-6) K-1 in the temperature range 298-1023 K-1 for S-1 and ZrS-1 samples, respectively. The thermal expansion behavior of S-1 and ZrS-1 is anisotropic, with the relative strength of contraction along a axis is more than that along b and c axes. Three different thermal expansion regions could be identified in the overall temperature range (298-1023 K) studied, corroborating with the three steps of weight loss in the TG curve of ZrS-1 sample. While the region between 298 and 423 K, displays positive thermal expansion coefficient with alpha(v) = 2.647 x 10(-6) and 4.24 x 10(-6) K-1, the second region between 423 and 873 K shows strong negative thermal expansion (NTE) coefficient alpha(v) = -7.602 x 10(-6) and - 15.04 x 10(-6) K-1, respectively, for S-1 and ZrS-1 samples. The region between 873 and 1023 K, shows a very strong NTE coefficient with alpha(v) = - 12.08 x 10(-6) and -45.622 x 10(-6) K-1 for S-1 and ZrS-1, respectively, which is the highest in the whole temperature range studied. NTE seen over a temperature range 298-1023 K could be associated with transverse vibrations of bridging oxygen atoms in the structure which results in an apparent shortening of the Si-O distances. (C) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {microporous materials, phase transitions, Thermal expansion, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2005.12.002}, author = {Bhange, Deu S. and Ramaswamy, V.} } @article { ISI:000238329100023, title = {Nitridation of high speed steel by electron cyclotron resonance plasma}, journal = {Journal of Physics D-Applied Physics}, volume = {39}, number = {10}, year = {2006}, month = {MAY}, pages = {2109-2113}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Plasma nitridation of high speed M2 steel is studied using a microwave assisted electron cyclotron resonance plasma source. A mixture of hydrogen and nitrogen with a proportion of 7 : 3 was used as the nitriding gas. The density of plasma for this forming gas was measured to be similar to 10(18) m(-3) as estimated by a double probe method. The M2 steel was nitrided at various temperatures of 400, 450, 500 and 550 degrees C under similar reactor conditions. The nitrided layer was characterized by using various analytical techniques which included structural, morphological, chemical and microhardness measurement. The maximum thickness of the nitrided layer was found to be 48 mu m for samples nitrided at 550 degrees C. No layer corresponding to white/compound layer is seen in our analysis. The hardness is seen to increase from similar to 580HV to similar to 1190HV for samples nitrided at 550 degrees C. Electron cyclotron resonance plasma nitridation is observed to be much faster and a cleaner process as compared with the conventional nitriding process.
}, issn = {0022-3727}, doi = {10.1088/0022-3727/39/10/022}, author = {Majeed, Riyadh M A Abdul and Purohit, Vishwas and Bhide, Rajesh and Mandale, A. B. and Bhoraskar, S. V. and Bhoraskar, Vasant N.} } @article { ISI:000238162900006, title = {Non-catalytic pyrolysis of ethane to ethylene in the presence of CO2 with or without limited O-2}, journal = {Journal of Chemical Science}, volume = {118}, number = {3}, year = {2006}, month = {MAY}, pages = {261-267}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Influence of the presence Of CO2, which is a mild oxidant, on the performance of the thermal cracking of ethane to ethylene in the absence or presence of limited O-2 at different temperatures (750-900 degrees C), space velocities (1500-9000 h(-1)) and CO2/C2H6 and O-2/C2H6 mole ratios (0-2.0 and 0-0.3 respectively) has been investigated. In both the presence and absence of limited 02, ethane conversion increases markedly because of the presence Of CO2, indicating its beneficial effect on the ethane to ethylene cracking. The increased ethane conversion is, however, not due to the oxidation of ethane to ethylene by CO2; the formation of carbon monoxide in the presence Of CO2 is found to be very small. It is most probably due to the activation of ethane in the presence Of CO2.
}, keywords = {ethane, ethane cracking in presence Of CO2, ethane cracking in presence of CO2 and limited O-2, Ethylene, thermal cracking of ethane}, issn = {0253-4134}, doi = {10.1007/BF02708286}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Mulla, Shafeek Abdul Rashid} } @article { ISI:000241686000011, title = {Novel beaded polymers from telechelic methacrylic ether esters}, journal = {Reactive \& Functional Polymers}, volume = {66}, number = {10}, year = {2006}, month = {OCT}, pages = {1087-1096}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A series of telechelic dimethacrylic ether-esters (MEE) were prepared by solventless reaction of alpha,omega-dihydroxy poly(oxytetramethylene) (polytetrahydrofuran, PTHF) with phthalic anhydride and glycidyl methacrylate (GMA). MEE was polymerized with GMA as well as GMA-ethylene dimethacrylate (EGDM) to form porous beads. The terpolymer beads were observed using optical microscopy and SEM and characterized for internal pore volume, equilibrium volume-swelling ratio and dimethyl formamide and aqueous buffer regain. The morphology of the beads was dictated by the mole fraction and molecular weight of MEE in the feed. Porosity was found to increase with increase in molecular weight of MEE. Thus, porosity as high as 49\%, 50\% and 55\% was observed with MEE of molecular weights 1580, 2580 and 3480, respectively. At a specific terpolymerization feed ratio of monomers, the terpolymers formed transform from gel like structure into a macroporous one, with increase in molecular weight of MEE. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {ether-ester dimethacrylates, macroporous, Pore size distribution, porosity, telechelics}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2006.01.020}, author = {Pujari, N. S. and Trivedi, J. and Ingavle, Ganesh C. and Ponrathnam, S.} } @article { ISI:000241849900010, title = {Novel chemical synthetic route and characterization of zinc selenide thin films}, journal = {Journal of Physics and Chemistry of Solid}, volume = {67}, number = {11}, year = {2006}, month = {NOV}, pages = {2310-2315}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Zinc selenide (ZnSe) thin film have been deposited using chemical bath method on non-conducting glass substrate in a tartarate bath containing zinc sulfate, ammonia, hydrazine hydrate, sodium selenosulfate in an aqueous alkaline medium at 333 K. The deposition parameter of the ZnSe thin film is interpreted in the present investigation. The films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), optical absorption, electrical measurements, atomic absorption spectroscopy (AAS). The ZnSe thin layers grown with polycrystalline zinc blende system along with some amorphous phase present in ZnSe film. The direct optical band gap {\textquoteleft}E-g{\textquoteright} for the film was found to be 2.81 eV and electrical conductivity in the order of 10(-8)(Omega cm)(-1) with n-type conduction mechanism. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {chalcogenides, electronic materials}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2006.05.001}, author = {Hankare, P. P. and Chate, P. A. and Delekar, S. D. and Asabe, M. R. and Mulla, Imtiaz S.} } @article { ISI:000239218800010, title = {Novel series of oligomers from 4-aminomethyl-tetrahydrofuran-2-carboxylates with 2,4-cis and 2,4-trans stereochemistry}, journal = {Tetrahedron}, volume = {62}, number = {33}, year = {2006}, month = {AUG}, pages = {7718-7725}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Two tetrahydrofuran-based y-amino acids [2,4-cis and 2,4-trans] were subjected to iterative peptide-coupling procedures to afford dimeric, tetrameric and hexameric carbopeptoids in good yield. These homooligomers were prepared for secondary structural study-to ascertain the conformational preference inherent in the monomer units. The L-xylo oligomers were protected with triethylsilyl ethers to increase the range of solvents suitable for structural investigation. Initial secondary structure data indicate the presence of hydrogen-bonded conformations in the L-ribo series. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {Foldamers, gamma amino acids, Peptidomimetics, sugar amino acids}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.05.067}, author = {Edwards, Alison A. and Sanjayan, Gangadharar J. and Hachisu, Shuji and Tranter, George E. and Fleet, George W. J.} } @article {42467, title = {Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine mediated reaction of dialkyl azodicarboxylate with allenic esters}, journal = {Organic Letters}, volume = {8}, year = {2006}, month = {MAY}, pages = {2213{\textendash}2216}, type = {Article}, abstract = {
Reaction of the Huisgen zwitterion, derived from triphenylphosphine and dialkyl azodicarboxylate, with allenic esters affords highly functionalized pyrazolines and pyrazoles. The crystal structure of pyrazoline derivative 7a showed extensive C-H{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}O interactions. Pyrazole formation proceeds via a novel nitrogen to carbon migration of the carboalkoxy group.
}, doi = {10.1021/ol0604623}, author = {Nair, Vijay and Biju, Akkattu T. and Mohanan, Kishor and Eringathodi, Suresh} } @article { ISI:000241717400014, title = {Off-site emergency scenario, a case study from a LPG bottling plant}, journal = {Journal of Loss Prevention in the Process Industries}, volume = {19}, number = {6}, year = {2006}, month = {NOV}, pages = {645-647}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
After Bhopal disaster, emergency planning in an industrial area has become inevitable. The off-site emergency plan is an integral part of any major hazard control system. Boiling Liquid Expanding Vapour Explosion (BLEVE) leads to fatal consequences. This paper highlights some salient features of the emergency scenario, which ultimately leads to fireball with enormous pressure wave all around. (C) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {BLEVE, emergency plan, LPG, off-site}, issn = {0950-4230}, doi = {10.1016/j.jlp.2006.03.003}, author = {Ruj, Biswajit and Rehman, Imranur and Bandyopadhya, A. K.} } @article { ISI:000242519200007, title = {Optically transparent magnetic nanocomposites based on encapsulated Fe3O4 nanoparticles in a sol-gel silica network}, journal = {Nanotechnology}, volume = {17}, number = {22}, year = {2006}, month = {NOV}, pages = {5565-5572}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Composite Fe3O4-SiO2 materials were prepared by the sol-gel method with tetraethoxysilane and aqueous-based Fe3O4 ferrofluids as precursors. The monoliths obtained were crack free and showed both optical and magnetic properties. The structural properties were determined by infrared spectroscopy, x-ray diffractometry and transmission electron microscopy. Fe3O4 particles of 20 nm size lie within the pores of the matrix without any strong Si-O-Fe bonding. The well established silica network provides effective confinement to these nanoparticles. The composites were transparent in the 600-800 nm regime and the field dependent magnetization curves suggest that the composite exhibits superparamagnetic characteristics.
}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/22/007}, author = {Thomas, Senoy and Sakthikumar, D. and Joy, Pattayil Alias and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000239878700022, title = {Optimization of anaerobically digested distillery molasses spent wash decolorization using soil as inoculum in the absence of additional carbon and nitrogen source}, journal = {Bioresource Technology}, volume = {97}, number = {16}, year = {2006}, month = {NOV}, pages = {2131-2135}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The aim of this study was to achieve maximum decolorization of molasses spent wash (MSW) in absence of any additional carbon or nitrogen source using soil as inoculum. Soil samples were collected from the MSW disposal site. Colored soil samples exhibited higher pH, sugar and protein as compare to less colored samples. A decolorization of 69\% was obtained using 10\% (w/v) soil and 12.5\% (v/v) MSW after 7 days incubation. Optimized parameters including days-6 days, pH-6, MSW-12.5\% and soil concentration-40\%, were obtained for maximum decolorization. A decolorization of 81\% was achieved using 10\% soil and 12.5\% MSW after 18 days incubation in absence of any media supplement. Nearly 12\% reduction in decolorization activity of the soil sample was observed over a period of 12 months when stored at 6 degrees C. It could be concluded that the decolorization of MSW might be achieved using soil as inoculum without addition of chemical amendments. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Decolorization, melanoidin, molasses spent wash (MSW), Optimization, soil}, issn = {0960-8524}, doi = {10.1016/j.biortech.2005.10.011}, author = {Adikane, H. V. and Dange, M. N. and Selvakumari, K.} } @article { ISI:000238398000019, title = {Optimization of fermentation media for exopolysaccharide production from lactobacillus plantarum using artificial intelligence-based techniques}, journal = {Process Biochemistry}, volume = {41}, number = {8}, year = {2006}, month = {AUG}, pages = {1842-1848}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A Lactobacillus strain was isolated from the fermented Eleusine coracana. This strain was characterized as Lactobacillus plantarum and was found to produce an exopolysaccharide (EPS) in quantitative amounts. The objective of the present paper is to determine optimum media composition and inoculum volume for the stated fermentative production of the EPS. A hybrid methodology comprising the Plackett-Burman (PB) design method, artificial neural networks (ANN) and genetic algorithms (GA) was utilized. Specifically, the PB, ANN and GA forrnalisms were used for identifying influential media components, modeling non-linear process and optimizing the process, respectively. More specifically, the PB method was used to determine those media components, which significantly influence the EPS yield. By ignoring the less influential media components, the dimensionality of the input space of the process model could be reduced significantly. Out of the five media components only three were found influential namely, lactose, casein hydrolysate and triammonium citrate. Next, an ANN-based process model was developed for approximating the non-linear relationship between the fermentation operating variables and the EPS yield. The average \% error and correlation coefficient for the developed ANN model were 4.8 and 0.999, respectively. The input parameters of ANN model were subsequently optimized using the GA formalism for obtaining maximum EPS yield in batch fermentation. The optimized media composition has predicted the yield of 7.01 g/l. The GA-optimized solution comprising media composition and inoculum volume was verified experimentally and it comes out be 7.14 g/l. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {Artificial neural network, exopolysaccharide, Fermentation, Genetic algorithm, Lactobacillus plantarum, Media optimization, Plackett-Burman}, issn = {1359-5113}, doi = {10.1016/j.procbio.2006.03.037}, author = {Desai, Kiran M. and Akolkar, S. K. and Badhe, Yogesh P. and Tambe, S. S. and Lele, S. S.} } @article { ISI:000237909100023, title = {Organic dye molecules as reducing agent for the synthesis of electroactive gold nanoplates}, journal = {Journal of Colloid and Interface Science}, volume = {298}, number = {2}, year = {2006}, month = {JUN}, pages = {679-684}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Highly crystalline, hexagonal and triangular nanoplates of gold are synthesized in high yield by a new wet chemical method using multifunctional molecules. Bismarck brown R (BBR) and Bismarck brown Y (BBY). This method involves a simple approach by keeping a mixture of aqueous HAuCl(4) solution and BBR/BBY solution in presence of poly(vinyl pyrrolidone) for 24 h. These nanostructures show unprecedented electrochemical properties exhibiting Surface confinement effect. The UV-visible (UV-vis) spectrum shows certain distinct features with absorptions at 300, 400,and 650 nm extending up to the near infrared region. Selected area electron diffraction patterns of these nanoparticles show highly oriented (111) crystal facets. X-ray diffraction analysis also confirms the Predominant orientation in the (111) crystal planes with lattice constant similar to 4.07 angstrom of face-centered-cubic (fcc) gold. X-ray photoelectron (XP) and Fourier transform infrared (FTIR) spectroscopic analysis shows the presence of a fraction of reducing molecules as surface passivating agent either in the unreacted molecular state or as a mixture of reacted and unreacted product which probably undergoes charge transfer with gold nanocrystals giving absorption at similar to 300 nm. (c) 2005 Elsevier Inc. All rights reserved.
}, keywords = {Bismarck brown, cyclic voltammetry, gold nanoplates, poly(vinyl pyrrolidone), surface plasmon resonance}, issn = {0021-9797}, doi = {10.1016/j.jcis.2005.12.048}, author = {Sharma, Jadab and Vijayamohanan, Kunjukrishna P.} } @article { ISI:000239869200010, title = {Organosilanesulfonic acid-functionalized Zr-TMS catalysts: synthesis, characterization and catalytic applications in condensation reactions}, journal = {Applied Catalysis A-General}, volume = {310}, year = {2006}, month = {AUG}, pages = {79-90}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Organosilanesulfonic acid (-Si-R3S-R4SO3H, OSA)-functionalized mesoporous Zr-TMS (Zr-TMS-Si-R3S-R4SO3H, Zr-TMS-OSA) was synthesized either by post-synthetic modification of Zr-TMS (zirconia-based transition metal oxide mesoporous molecular sieves) with 3-mercaptopropyltrimethoxysilane (3-MPTS) and further with 1,4-butanesultone (1,4-BS) or by in situ one-pot synthesis procedure. A number of physico-chemical characterization techniques have been used to show that the organosilanesulfonic acid groups were anchored on to the walls of Zr-TMS. MCM-41-Si-R3S-R4SO3H-20 (MCM-41-OSA-20) was also prepared by post-synthesis procedure for comparison. Physico-chemical properties of in situ made A-Zr-OSA-20, Zr-TMS-SO3H-20 and MCM-41-OSA-20 were compared with Zr-TMS-OSA catalysts. The catalytic activity of the materials was tested in liquid phase condensation of aniline with p-formaldehyde to 4,4{\textquoteright}-diaminodiphenylmethane (4,4{\textquoteright}-DADPM). Results showed that Zr-TMS-OSA catalysts were more active than Zr-TMS-SO3H-20, MCM-41-OSA-20 and A-Zr-OSA-20 and more selective than Zr-TMS-SO3H-20 and A-Zr-OSA-20 catalysts. (C) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Acid catalyst, condensation of aniline, mesoporous ZrO2, organic functionalization, organosilanesulfonic acid}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.05.024}, author = {Chidambaram, M. and Venkatesan, C. and Singh, A. P.} } @article { ISI:000240352900023, title = {Ossification: a new approach to immobilize metal complex catalysts - applications to carbonylation and Suzuki coupling reactions}, journal = {Journal of Catalysis}, volume = {242}, number = {1}, year = {2006}, month = {AUG}, pages = {231-238}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
A simple approach for immobilization of transition metal complexes is reported here based on the transformation of the complex into its intrinsically insoluble counterpart, thus generating solid molecular catalysts. This approach that we call {\textquoteleft}{\textquoteleft}ossification{\textquoteright}{\textquoteright} is based on a principle, in which the water-soluble analogues of the metal complexes are precipitated out from aqueous solutions as insoluble ionic ensembles having catalytically active metal-centered coordination environments and robust framework. The approach has been illustrated for I{\textquoteright}d complex catalyzed carbonylation and Suzuki coupling reactions. {\textquoteleft}{\textquoteleft}Ossification{\textquoteright}{\textquoteright} was found to be an economically and environmentally attractive alternative to other exotic immobilization methodologies. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {Carbonylation, Heterogeneous catalysts, Immobilization, ossification, Palladium complex, Suzuki coupling}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.05.032}, author = {Sarkar, Bibhas R. and Chaudhari, Raghunath V.} } @article { ISI:000239159600002, title = {Oxidation of aniline over titania pillared montmorillonite clays}, journal = {Applied Clay Science}, volume = {33}, number = {2}, year = {2006}, month = {JUL}, pages = {89-98}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Titania pillared clays (Ti-PILC) have been synthesized employing conventional stirring (method I) and ultrasonic agitation (method II) techniques followed by hydrothermal treatment. The characterization results revealed the formation of Ti-PILC with significant reduction of time when ultrasonic method was used. Subsequent hydrothermal treatment on the samples has resulted in the increase in the crystallinity and the transformation of anatase TiO2 to rutile TiO2. The rutile phase is more prominent in the samples prepared by stirring method. UV-Vis studies on the samples exhibit blue shift in the absorption band due to the quantum size effect. This indicates that a major part of TiO2 in the pillared clay could be well below 10 nm in size, which is supported by XRD and the average pore size. The pillared clay catalysts have proved to be promising in aniline oxidation with H2O2, selectively forming azoxybenzene under the working conditions. The aniline conversion and the product distribution largely depended on the catalyst concentration, H2O2 to aniline mole ratio, the nature of the solvent and the oxidant. Higher conversion of aniline and greater selectivity for azoxybenzene was obtained with methanol as the solvent. (C) 2006 Elsevier B.V. All rights reserved.
}, keywords = {aniline oxidation, Azoxybenzene, hydrothermal treatment, pillared clays}, issn = {0169-1317}, doi = {10.1016/j.clay.2006.04.001}, author = {Jagtap, Neelam and Ramaswamy, Veda} } @article { ISI:000241306300020, title = {Oxidation of ethyl benzene and diphenyl methane over ordered mesoporous M-MCM-41 (M = Ti, V, Cr): synthesis, characterization and structure-activity correlations}, journal = {Microporous and Mesoporous Materials}, volume = {95}, number = {1-3}, year = {2006}, month = {OCT}, pages = {154-163}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Transition metals (M = Ti, V, Cr) were incorporated into the MCM-41 framework by surfactant-assisted direct hydrothermal (DHT) methods and were characterized in detail by XRD, N-2 adsorption-desorption, TG-DTG/DTA, SEM/TEM, DR UV-Vis, XPS and EPR. The structural regularity as well as the textural properties of the M-MCM-41 materials was confirmed by XRD, TEM and adsorption-desorption techniques. Nature of metal species and the percentage of framework as well as extra framework metal sites in the MCM-41 matrix are discussed in detail by various spectroscopic techniques. The catalytic activity as well as the selectivity of the M-MCM-41 catalysts were explored in the one-step liquid-phase oxidation reaction of ethyl benzene and diphenyl methane. Reaction data showed that the oxidation activity is more when H2O2 was used an oxidant, acetonitrile as solvent and V-MCM-41 as catalyst. However, the selectivity towards the desired keto derivatives (ethyl benzene to acetophenone and diphenyl methane to benzophenone) follows the order, Ti-MCM-41 \> V-MCM-41 \> Cr-MCM-41. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {diphenyl methane, Ethyl benzene, MCM-41, Oxidation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.04.018}, author = {Jha, Ratnesh Kumar and Shylesh, S. and Bhoware, Shrikant S. and Singh, A. P.} } @article { ISI:000242775600009, title = {Oxovanadium(IV) complex of 2-(alpha-hydroxyethyl)benzimidazole covalently bonded to chloromethylated polystyrene for oxidation of benzoin}, journal = {Applied Catalysis A-General}, volume = {315}, year = {2006}, month = {NOV}, pages = {74-82}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Vanadyl sulphate reacts with 2-(alpha-hydroxyethyl)benzimidazole covalently bonded to chloromethylated polystyrene (PS-Hhebmz) cross-linked with 5\% divinyl benzene to give PS-[VO(hebmZ)(2)]. Characterisation of the catalyst was carried out by IR, electronic and EPR spectroscopic studies, thermogravimetry, scanning electron micrographs and elemental analyses. Catalytic potential of the complex was tested for the oxidation of benzoin using tert-butyl hydroperoxide (TBHP) as an oxidant in methanol where benzil, methylbenzoate, benzoic acid and dimethylacetal were obtained as products. Various parameters such as different solvents and concentration of the substrate as well as oxidant have been taken into consideration for the maximum oxidation of the benzoin. Under optimised reaction conditions, a maximum of 98.9\% conversion of the benzoin was achieved after 6 h of reaction time where selectivity of the obtained reaction products varied in the order: methylbenzoate (48.5\%) \> benzil (19.5\%) \> dimethylacetal (17.1\%) \> benzoic acid (11.5\%). Neat complex was also prepared to compare its catalytic property with polymer-anchored one. EPR spectra of neat and polymer anchored catalyst are characteristics of V(IV) complexes with typical axial pattern and possible square pyramidal geometry. The identical EPR spectral patterns of both freshly prepared and recovered anchored catalysts indicate that the complex is stable and the coordination environment is retained at the end of the catalytic reaction. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {2-(alpha-hydroxyethyl)benzimidazole, oxidation of benzoin, polymer-anchored complex, Polystyrene, vanadium(IV) complex}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.09.003}, author = {Maurya, Mannar R. and Sikarwar, Sweta and Manikandan, Palanichamy} } @article { ISI:000240615500001, title = {Oxy-CO2 reforming of methane to syngas over CoOx/CeO2/SA-5205 catalyst}, journal = {Energy \& Fuel}, volume = {20}, number = {5}, year = {2006}, month = {SEP}, pages = {1753-1756}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The oxy-CO2 methane reforming (OCRM) process has been investigated over the CoOx/CeO2/SA-5205 catalyst at varying reaction temperatures (750-900 degrees C), O-2/CH4 ratios (0.3- 0.45), and space velocities (20 000 - 100 000 cm(3)/g/h). With an increasing OCRM reaction temperature, the contribution from the CO2 methane reforming reaction increased while that from methane combustion reactions decreased. Correspondingly, there was an increase in the H-2/CO ratio and a sharp decrease in reaction exothermicity. At 900 C (gas hourly space velocity = 46 000 cm(3)/g/h and O-2/CH4 = 0.4), the OCRM reaction over the CoOx/CeO2/SA-5205 catalyst was mildly endothermic with \> 90\% CH4 conversion, \> 95\% H-2 selectivity, and a H-2/CO ratio of 1.63. CH4 conversion was relatively unaffected by the O-2/CH4 ratio used in the OCRM reaction; however, CO2 conversion decreased on increasing the O-2/CH4 ratio. While H-2 selectivity was not significantly affected by the O-2/CH4 ratio, the H-2/CO ratio increased linearly with an increasing O-2/CH4 ratio. The endothermicity of the reaction was found to decrease with an increasing CH4/O-2 ratio, which can be explained on the basis of increased contribution from the methane partial oxidation reaction with an increasing O-2/CH4 ratio.
}, issn = {0887-0624}, doi = {10.1021/ef060138o}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Choudhary, Tushar V.} } @article { ISI:000241929400015, title = {Oxy-CO2 reforming of methane to syngas over CoOx/MgO/SA-5205 catalyst}, journal = {Fuel}, volume = {85}, number = {17-18}, year = {2006}, month = {DEC}, pages = {2484-2488}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The OXY-CO2 methane reforming reaction (OCRM) has been investigated over CoOx supported on a MgO precoated highly macroporous silica-alumina catalyst carrier (SA-5205) at different reaction temperatures (700-900 degrees C), O-2/CH4 ratios (0.3-0.45) and space velocites (20,000-100,000cc/g/h). The reaction temperature had a profound influence on the OCRM performance over the CoO/MgO/SA-5205 catalyst; the methane conversion, CO2 conversion and H-2 selectivity increased while the H-2/CO ratio decreased markedly with increasing reaction temperature. While the O-2/CH4 ratio did not strongly affect the CH4 and CO2 conversion and H-2 selectivity, it had an intense influence on the H-2/CO ratio. The CH4 and CO2 conversion and the H-2 selectivity decreased while the H-2/CO increased with increasing space velocity. The O-2/CH4 ratio and the reaction temperature could be used to manipulate the heat of the reaction for the OCRM process. Depending on the O-2/CH4 ratio and temperature the OCRM process could be operated in a mildly exothermic, thermal neutral or mildly endothermic mode. The OCRM reaction became almost thermoneutral at an OCRM reaction temperature of 850 degrees C, O-2/CH4 ratio of 0.45 and space velocity of 46,000 cc/g/h. The CH4 conversion and H-2 selectivity over the CoO/MgO/SA-5205 catalyst corresponding to thermoneutral conditions were excellent: 95\% and 97\%, respectively with a H-2/CO ratio of 1.8. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {methane, oxy-CO2 reforming, Syngas}, issn = {0016-2361}, doi = {10.1016/j.fuel.2006.04.013}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Choudhary, Tushar V.} } @article { ISI:000237651600007, title = {Palladium mediated cycloisomerization of sugar alkynols: synthesis of cyclic enol-ethers and spiroketals}, journal = {Tetrahedron Letters}, volume = {47}, number = {22}, year = {2006}, month = {MAY}, pages = {3649-3652}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Functionalized bicyclic enol-ethers and spiroketals are prepared by Pd catalyzed cycloisomerization of 3-C-alkynylfuranosyl derivatives. Cycloisomerization of differently substituted alkyne derivatives revealed a preference for 6-endo-dig cyclization over 5-exo-dig if the substituent is not sufficiently electron withdrawing. The scope of these cycloisomerizations has been further extended by integrating with conjugate addition. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {c-alkynylfuranose, cycloisomerization, enol-ether, Palladium, Spiroketal}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.143}, author = {Ramana, C. V. and Mallik, Rosy and Gonnade, Rajesh G. and Gurjar, Mukund K.} } @article { ISI:000238056800007, title = {Partial oxidation of methane to syngas with or without simultaneous steam or CO2 reforming over a high-temperature stable-NiCoMgCeOx supported on zirconia-hafnia catalyst}, journal = {Applied Catalysis A-General}, volume = {306}, year = {2006}, month = {JUN}, pages = {45-50}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A NiCoMgCeOx (Ni/Co/Mg/Ce: 1:0.2:1.2:1.2)/zirconia-hafnia catalyst with unusually high thermal stability has been investigated for syngas generation via a process that includes the catalytic partial oxidation of methane (CPOM), the oxidative steam reforming of methane (OSRM) and the oxidative CO2 reforming of methane (OCRM). The catalyst calcined at 1400 degrees C (for 4 h) showed excellent activity/selectivity for the CPOM, OSRM and the OCRM reactions; furthermore no catalyst deactivation was observed for a period of 20 h. For the CPOM process, the selectivity for H-2 was \> 95\% at reaction temperatures \> 650 degrees C however temperatures above 800 degrees C were required to achieve \> 95\% CO selectivity. While the reaction temperature had a considerable influence on the CPOM product H-2/CO ratio, the space velocity (at 850 degrees C) did not affect it to any significant extent. For the OSRM process, the H2O/CH4 ratio and the reaction temperature had a strong effect on the product H-2/CO ratio and the heat of the reaction; depending on the H2O/CH4 ratio and reaction temperature, the OSRM process could be operated in a mildly exothermic, thermoneutral or mildly endothermic mode. The CO2 conversion was very strongly affected by the reaction temperature in the OCRM process; reasonably high CO2 conversion ( \> 40\%) could only be obtained at high OCRM reaction temperatures ( \> 850 degrees C). The exothermicity of the OCRM reaction was found to decrease with increasing reaction temperature. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {dry (CO2) reforming, high-temperature stable, methane, oxy-steam reforming, Partial oxidation, Steam reforming, Syngas}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.03.032}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Choudhary, Tushar V.} } @article { ISI:000237158200003, title = {Phase evolution of NiTiO3 prepared by coprecipitation method}, journal = {Materials Letters}, volume = {60}, number = {15}, year = {2006}, month = {JUL}, pages = {1791-1792}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple coprecipitation technique was used for the preparation of NiTiO3 powders. Ammonium carbonate solution was added to a solution mixture containing stoichiometric amounts of Ni(NO3)(2) and TiOCl2 to precipitate nickel as carbonate and titanium as hydroxide under basic conditions. The precipitate was calcined at different temperatures ranging from 100 to 800 degrees C and phase evolution of NiTiO3 was investigated by X-ray diffraction (XRD) studies. It is observed that nickel titanate was formed at 750 degrees C. For comparison, NiTiO3 was also prepared by standard ceramic process. Particle size and morphology was studied by transmission electron microscopy (TEM). (c) 2005 Elsevier B.V. All fights reserved.
}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, NiTiO3, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.12.023}, author = {Murugan, A. Vadivel and Samuel, V. and Navale, S. C. and Ravi, V.} } @article {32}, title = {Phenol tert-butylation over zirconia-supported 12-molybdophosphoric acid catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {247}, number = {1-2}, year = {2006}, month = {MAR}, pages = {162-170}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The alkylation of phenol with tert-butanol was investigated using zirconia-supported 12-molybdophosphoric acid (MPA) as catalyst. The catalysts with different MPA loading (5-25 wt.\% calcined at 700 degrees C) and calcination temperature (15 wt.\% calcined from 500 to 750 degrees C) were prepared by suspending zirconium oxyhydroxide in methanol solution of MPA followed by drying and calcination. These catalysts were characterized by X-ray diffraction and (31)p MAS NMR spectroscopy measurements. The XRD results indicated that MPA stabilizes the tetragonal phase of zirconia. (31)p MAS NMR spectra showed the presence of three types of phosphorous species, phosphomolybdate in interaction with zirconia, decomposition product of MFPA and an unidentified species. IFTIR pyridine adsorption on 15\% MPA catalyst calcined at different temperatures showed the presence of both Bronsted and Lewis acidity and the catalyst calcined at 700 degrees C showed the highest relative Bronsted acidity. Under the reaction conditions of 140 degrees C, tert-butanol/phenol molar ratio of 2 and LHSV of 4 h(-1), the phenol conversion was 80.6\% at 2 h (selectivity to 2-TBP 11.5\%, 2,4-DTBP 55.2\%, and 4-TBP 25.7\%), which decreased slowly with time and at 31 h, it was 58.5\% (selectivity to 2-TBP 15.2\%, 2,4-DTBP 41.6\%, and 4-TBP 38.4\%). The major reason for the catalyst deactivation was the reduction and leaching of MPA from the catalyst surface. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {12-molybdophosphoric acid, phenol, tert-butylation, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.11.043}, author = {Devassy, Biju M. and Shanbhag, G.V. and Halligudi, S.B.} } @article { ISI:000239458500013, title = {Photo-bio-degradability of agro waste and ethylene-propylene copolymers composites under abiotic and biotic environments}, journal = {Journal of Polymers and the Environment}, volume = {14}, number = {2}, year = {2006}, month = {APR}, pages = {203-212}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Composites were prepared by two methods, (i) graft copolymerization (GFC) of isotactic polypropylene (PP) with maliec anhydride, (MAH) followed by esterification with coir fiber and (ii) by direct reactive mixing (DFC) of polypropylene (PP) and ethylene-propylene (EP) copolymers with MAH and peroxide with coir fiber. These composites, after molding in films (5 x 5 cm, - 100 mu m thickness) were examined for susceptibility to biological attack by measuring the percentage weight loss in compost upto 6 months, periodically, and fungal colonization on surface of the samples, when kept as sole carbon source for the growth of Aspergillus niger in culture medium upto 40 days. Photodegradation was evaluated by monitoring the variations in FT-IR spectrum and crack formation after successive treatment with UV light (\>= 290 nm) for 0, 20, 50 and 100 h at 60 C in the presence of air. Specimens of virgin PP were taken as a reference during all period of photo and biodegradation studies. Significant changes were observed depending on the preparation methods during photodegradation and biodisintegration of composites. DFCs samples were disintegrated faster than GFCs during the composting whereas, in culture, GFCs were covered highly in well uniform way by fungi. It was observed that photo-oxidative ageing directly enhanced the biodegradability of composites as the increase in fungal growth rate and decrease in weight during composting were found. It was concluded that extent of compatibilization had a profound effect on photo-oxidation and biodisintegration of composite material; consequently ester bonds were main units during fungal consumption. Composition of monomers in copolymers was also showing significant effect on the degradability which decreased with increasing content of ethylene in ethylene-propylene (EP) copolymers.
}, keywords = {Biodegradation, biodisintegration and composting, composites, ethylene-propylene copolymers, photo-degradation}, issn = {1566-2543}, doi = {10.1007/s10924-006-0012-9}, author = {Kumar, A. Pratheep and Pandey, Jitendra K. and Kumar, Bijendra and Singh, R. P.} } @article { ISI:000237748700007, title = {Photocatalytic degradation of organic contaminants in water by ZnO nanoparticles: revisited}, journal = {Applied Catalysis A-General}, volume = {304}, number = {1}, year = {2006}, month = {MAY}, pages = {55-61}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nanoscale photocatalysts have attracted much attention due to their high surface area to volume ratios. This work investigates the photodegradation of organic contaminants using the fluorescence emission characteristics of ZnO nanoparticles (ZnO-nano) in aqueous solutions. This is accomplished by preparing nanocrystalline ZnO; the presence of organic contaminants in water is readily detected from the quenching of fluorescence observed from ZnO semiconductor films. Photolysis of ZnO thin films immersed into an aqueous system containing organic contaminants results in the degradation of the contaminants. A comprehensive study has been done involving several organic contaminants in water (like aliphatic and aromatic chloro compounds as well as some commonly used aromatic solvents) to check the suitability of ZnO-nano as an efficient photocatalyst. The ZnO nanoparticles not only serve as a better catalytic system compared to bulk ZnO and commercially available Degussa TiO2 in achieving degradation of the added contaminants, but unlike other semiconductor systems can also act as a non-specific sensor for the presence of these common contaminants in water. A total cleanup of a cocktail of contaminants in water was also achieved using the ZnO-nano. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Nanoparticles, organic contaminants and photocatalysis, Semiconductor, ZnO}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.02.020}, author = {Hariharan, C.} } @article { ISI:000241849900014, title = {Photoelectrochemical properties of electrochemically deposited CdIn2S4 thin films}, journal = {Journal of Physics and Chemistry of Solids}, volume = {67}, number = {11}, year = {2006}, month = {NOV}, pages = {2331-2336}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Thin films of CdIn2S4 have been deposited on to stainless steel and fluorine-doped tin oxide (FTO)-coated glass substrates from aqueous acidic bath using an electrodeposition technique. Ethylene diamine tetra-acetic acid (EDTA) disodium salt is used as complexing agent to obtain good-quality deposits by controlling the rate of the reaction. The different preparative parameters like concentration of bath, deposition time, bath temperature, pH of the bath have been optimized by the photoelectrochemical (PEC) technique in order to get good-quality photosensitive material. Different techniques have been used to characterize CdIn2S4 thin films. Optical absorption shows the presence of direct transition with band gap energy 2.17 eV. The X-ray diffraction (XRD) analysis of the as-deposited and annealed films showed the presence of polycrystalline nature. Energy-dispersive analysis by X-ray (EDAX) study for the sample deposited at optimized preparative parameters shows that the In-to-Cd ratio is almost 2 and S-to-Cd ratio is almost 4. Scanning electron microscopy (SEM) for samples deposited at optimized preparative parameters reveals that spherical grains are uniformly distributed over the surface of the substrate indicates the well-defined growth of polycrystalline CdIn2S4 thin film. PEC characterization of the films is carried out by studying photoresponse, spectral response and photovoltaic output characteristics. The fill factor (ff) and power conversion efficiency (eta) of the cell are 69 and 2.94\%, respectively. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {Thin films, X-ray diffraction}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2006.05.022}, author = {Kokate, A. V. and Asabe, M. R. and Delekar, S. D. and Gavali, L. V. and Mulla, Imtiaz S. and Hankare, P. P. and Chougule, B. K.} } @article { ISI:000240680300119, title = {Photoluminescence studies of Eu3+ doped Y2O3 nanophosphor prepared by microwave hydrothermal method}, journal = {Applied Physics Letters}, volume = {89}, number = {12}, year = {2006}, month = {SEP}, pages = {123120}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
In this letter, the authors report the photoluminescence studies of Eu3+ doped Y2O3 nanorods, which have been synthesized by rapid microwave hydrothermal route within 6 min. The nanostructured Eu3+ doped Y2O3 is characterized by x-ray diffraction, transmission electron microscopy, and photoluminescence. The emission spectrum shows transitions from the excited 5D(0) state to F-7(J) (J=0,1,2,3,4) levels of the Eu3+ ion. The most intense peak around 612 nm is due to the D-5(0)-\> F-7(2) transition, expected from the Judd-Ofelt selection rules [B. R. Judd, Phys. Rev. 127, 750 (1962); G. S. Ofelt, J. Chem. Phys. 37, 511 (1962)]. Photoluminescence measurements demonstrated that the nanocrystalline Eu3+:Y2O3 phase shows higher photoluminescence intensity. (c) 2006 American Institute of Physics.
}, issn = {0003-6951}, doi = {10.1063/1.2356694}, author = {Murugan, A. Vadivel and Viswanath, Annamraju Kasi and Ravi, V. and Kakade, Bhalchandra A. and Saaminathan, V.} } @article { ISI:000243088200025, title = {Photooxidation of vulcanized EPDM/montmorillonite nanocomposites}, journal = {Polymer Degradation and Stability}, volume = {91}, number = {12}, year = {2006}, month = {DEC}, pages = {3033-3039}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The photooxidation of a vulcanized ethylene-propylene-diene monomer (EPDM)/montmorillonite nanocomposite as well as EPDM/nanocomposite with stabilizers was studied under accelerated UV-light irradiation (lambda \>= 300 nm, 60 degrees C) for different times. The development of functional groups during oxidation was monitored by infrared spectroscopy. Photodegradation of the neat polymer and composites took place and the increases of absorbance in hydroxyl and carbonyl groups with irradiation times and also the decreases of the EPDM unsaturations were measured. The data indicated that the photooxidation products were not changed in the presence of the nanofiller. However, the presence of MMt was observed to dramatically enhance the rate of photooxidation of EPDM with a shortening of the oxidation induction time, leading to a decrease of the durability of the nanocomposites. On the other hand, it was observed that addition of stabilizers, either Tinuvin P or 2-mercaptobenzimidazole, was efficient in inhibiting the degradative effect of MMt. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {EPDM, Nanocomposite, photooxidation rate, stabilization}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2006.08.026}, author = {Morlat-Therias, Sandrine and Fanton, Elisabeth and Tomer, Namrata S. and Rana, Sravendra and Singh, R. P. and Gardette, Jean Luc} } @article { ISI:000243157600086, title = {Physical manipulation of biological and chemical syntheses for nanoparticle shape and size control}, journal = {Applied Physics Letters}, volume = {89}, number = {26}, year = {2006}, month = {DEC}, pages = {Article No. 263105}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
A nanosynthesis scheme is demonstrated which renders excellent control of nanoparticle shape, size, and dispersity in a solution based synthesis process. The scheme, termed as percolative microcavity synthesis, involves the use of a granular medium with percolative microcavities which facilitate nearly similar grain size/shape dependent reaction zones limiting intrinsic growth inhomogeneities, enabling particle size/shape control. The viability of the process is demonstrated for the synthesis of gold nanoparticles by a plant extract based biological method as well as a chemical method. (c) 2006 American Institute of Physics.
}, issn = {0003-6951}, doi = {10.1063/1.2424272}, author = {Ogale, Satishchandra B. and Ahmad, Absar and Pasricha, R. and Dhas, Vivek V. and Syed, A.} } @article { ISI:000238072500037, title = {Pictet-Spengler cyclization in room temperature ionic liquid: a convenient access to tetrahydro beta-carbolines}, journal = {Journal of Heterocyclic Chemistry}, volume = {43}, number = {3}, year = {2006}, month = {MAY}, pages = {767-772}, publisher = {HETERO CORPORATION}, type = {Article}, address = {PO BOX 170, PROVO, UT 84603-0170 USA}, abstract = {
1,2,3,4-Tetrahydro-beta-carbolines have been synthesized in moderate to good yields in short reaction time using the ionic liquid [bbim] BF4 as reaction medium and promoter. There was no need for the use of an additional catalyst normally employed in Pictet-Spengler condensation.
}, issn = {0022-152X}, author = {Muthukrishnan, Murugan and More, Shivaji V. and Garud, Dinesh R. and Ramana, C. V. and Joshi, Rohini R. and Joshi, Ramesh A.} } @article { ISI:000238131800003, title = {Plastics materials flow analysis for India}, journal = {Resources Conservation and Recycling}, volume = {47}, number = {3}, year = {2006}, month = {JUN}, pages = {222-244}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Forecasting material flows is essential for sound policy making on issues relating to waste management. This paper presents the results of the plastics materials flow analysis (MFA) for India. In the recent past, India has witnessed a substantial growth in the consumption of plastics and an increased production of plastic waste. Polyolefins account for the major share of 60\% in the total plastics consumption in India. Packaging is the major plastics consuming sector, with 42\% of the total consumption, followed by consumer products and the construction industry. The relationship observed between plastic consumption and the gross domestic product for several countries was used to estimate future plastics consumption (master curve). Elasticities of the individual material growth with respect to GDP were established for the past and for the next three decades estimated for India thereby assuming a development comparable with that of Western Europe. On this basis, the total plastics consumption is projected to grow by a factor of 6 between 2000 and 2030. The consumption of various end products is combined with their corresponding lifetimes to calculate the total waste quantities. The weighted average lifetime of plastics products was calculated as 8 years. Forty-seven percent of the total plastics waste generated is currently recycled in India; this is much higher than the share of recycling in most of the other countries. The recycling sector alone employs as many people as the plastics processing sector, which employs about eight times more people than the plastics manufacturing sector. Due to the increasing share of long-life products in the economy, and consequently in the volume of waste generated, the share of recycling will decrease to 35\% over the next three decades. The total waste available for disposal (excluding recycling) will increase at least 10-fold up to the year 2030 from its current level of 1.3 million tonnes. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {employment, India, material flow analysis (MFA), plastics, plastics consumption, plastics waste, Recycling, reuse}, issn = {0921-3449}, doi = {10.1016/j.resconrec.2005.09.003}, author = {Mutha, N. H. and Patel, M. and Premnath, V.} } @conference {42804, title = {Poly(High Internal Phase Emulsion) of 2-EHA, 2-EHMA and EGDA with naturally occurring phenolic compounds", paper presented at international conference on ?polymers for advanced technology}, booktitle = {Polymers for Advanced Technology}, year = {2006}, month = {DEC}, address = {National Chemical Laboratory, Pune}, author = {Ingavle, Ganesh C. and Shaikh, A. A. and Bhongale, Sunil Sitaram and Scaria, S. and Chavan, Nayaku and Qureshi, Mohammed and Ponrathnam, Surendra} } @article {KULKARNI, title = {Polymer supported vanadium and molybdenum complexes as potential catalysts for the oxidation and oxidative bromination of organic substrates}, journal = {Dalton Transactions}, number = {29}, year = {2006}, note = {Conference on Atomic Molecular and Optical Physics, Calcutta, INDIA, DEC 13-15, 2005}, month = {APR}, pages = {3561-3575}, publisher = {Indian Assoc Cultivat Sci}, type = {Review}, address = {PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE}, abstract = {
{The Schiff base (H(2)fsal-ohyba) derived from 3-formylsalicylic acid and o-hydroxybenzylamine has been covalently bonded to chloromethylated polystyrene cross-linked with 5\% divinylbenzene ( abbreviated as PS-H(2)fsal-ohyba, I). Treatment of [
}, keywords = {Bile acids, bis-steroids, hybrids, Peptides, polyamines, saponins, steroidal conjugates, synthetic ionophores}, doi = {10.1039/b600822d}, author = {Maurya, Mannar R. and Kumar, Umesh and Manikandan, Palanichamy} } @article { ISI:000236590300058, title = {Poly(o-toluidine) coatings on copper: electrochemical synthesis from aqueous media}, journal = {Surface \& Coating Technology}, volume = {200}, number = {16-17}, year = {2006}, month = {APR}, pages = {5094-5101}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Poly(o-toluidine) (POT) coatings were synthesized on copper (Cu) by electrochemical polymerization of o-toluidine using aqueous sodium oxalate solution as supporting electrolyte. The resulting coatings were uniform, compact and strongly adherent to the Cu substrate. These coatings were characterized by using cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), X-ray diffraction (XRD) measurements and X-ray photoelectron spectroscopy (XPS). The results of these studies reveal that the sodium oxalate is suitable supporting electrolyte for the electrochemical polymerization of o-toluidine on Cu substrate. It is found that the electrochemical polymerization of o-toluidine takes place after the passivation of the Cu substrate via formation of copper oxalate (CuC2O4, H2O) layer, which is confirmed by XRD and XPS. The optical absorption spectroscopy study reveals the exclusive formation of the pernigraniline base (PB) form of POT. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Conducting polymer coatings, Copper, Corrosion resistant coatings, cyclic voltammetry, poly(o-toluidine) coatings}, issn = {0257-8972}, doi = {10.1016/j.surfcoat.2005.05.026}, author = {Shinde, V. and Mandale, A. B. and Patil, K. R. and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000242209000043, title = {Poly(urethane methacrylate-co-glycidyl methacrylate)-supported-polypropylene biphasic membrane for lipase immobilization}, journal = {Journal of Membrane Science}, volume = {285}, number = {1-2}, year = {2006}, month = {NOV}, pages = {395-403}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Polypropylene (PP) was hydrophilized by coating followed by UV curing of a blend of 2-hydroxyethyl methacrylate (HEMA) terminated polyurethane prepolymer and glycidyl methacrylate (GMA). This allows formation of a hydrophobic membrane with increased surface hydrophilicity, biocompatibility and stability. Candida rugosa lipase (CRL) was covalently immobilized on this membrane using 5\% glutaraldehyde as a crosslinking agent for post immobilization stabilization of enzyme on membrane. The membrane obtained was placed in a batch membrane reactor where a model esterification of oleic acid with octanol was studied. Under optimum conditions, the biocatalytic membrane gave a specific activity of 796.27 units/mg and 90.26\% activity yield. Moreover, there was 85. 10\% retention of specific activity. The biocatalytic membrane was observed to retain about 84.23\% of its synthetic activity after six cycles. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Candida rugosa lipase, Enzyme immobilization, membrane bioreactor, urethane methacrylate}, issn = {0376-7388}, doi = {10.1016/j.memsci.2006.09.009}, author = {Pujari, N. S. and Vaidya, Bx and Bagalkote, S. and Ponrathnam, S. and Nene, Sanjay} } @article { ISI:000242873400035, title = {Potassium phosphate or silica sulfuric acid catalyzed conjugate addition of thiols to alpha,beta-unsaturated ketones at room temperature under solvent-free conditions}, journal = {Tetrahedron Letters}, volume = {47}, number = {52}, year = {2006}, month = {DEC}, pages = {9325-9328}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Potassium phosphate and silica sulfuric acid have been found to be useful and highly efficient catalysts for conjugate addition of thiols to alpha,beta-unsaturated ketones under solvent-free conditions, at room temperature. Silica sulfuric acid (SSA) was found to be suitable for electron-deficient enones while potassium phosphate was found to effect thia-Michael addition with both, electron-deficient as well as electron-rich conjugated ketones. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {alpha, beta-unsaturated ketones, chalcones, conjugated enones, Michael addition, Potassium phosphate, silica sulfuric acid, thiols}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.10.114}, author = {Pore, D. M. and Soudagar, M. S. and Desai, Uday V. and Thopate, T. S. and Wadagaonkar, P. P.} } @conference { ISI:000238125903211, title = {Preparation and characterization of a series of new organically modified montmorillonite clays using X-ray diffraction, thermogravimetric analysis and FTIR spectroscopy}, booktitle = {231st National Meeting of the American-Chemical-Society}, volume = {231}, year = {2006}, note = {231st National Meeting of the American-Chemical-Society, Atlanta, GA, MAR 26-30, 2006}, month = {MAR}, pages = {211-COLL}, publisher = {American Chemical Society}, organization = {American Chemical Society}, type = {Meeting Abstract}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, issn = {0065-7727}, author = {Natarajan, Upendra and Tiwari, Rajkiran R.} } @article { ISI:000238928100018, title = {Preparation and characterization of novel hybrid of chitosan-g-lactic acid and montmorillonite}, journal = {Journal of Biomedical Materials Research Part A}, volume = {78A}, number = {2}, year = {2006}, month = {AUG}, pages = {372-382}, publisher = {WILEY-LISS}, type = {Article}, address = {DIV JOHN WILEY \& SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The utilization of biopolymers and the development of organic-inorganic hybrids are ever increasing interest of material science researchers around the globe for various applications. The present attempt is intended to prepare nanocomposites of lactic acid grafted chitosan and layered silicates. Nanocomposites were prepared by dissolving chitosan and dispersing sodium montmorillonite in aqueous solution of L-lactic acid with subsequent heating and film casting. They were characterized by conventional techniques such as Fourier transform infrared spectroscopy, X-ray diffractometry, thermogravimetric analysis, energy dispersive X-ray spectroscopy, and elemental analysis. The results from polar optical and transmission electron microscopic measurements are also discussed. Sorption behavior of samples has been followed by measuring swelling degree and contact angle. The films have shown enhanced hydrophilicity when compared with polylactic acid (PLA). Issues on the interactions of polycationic chitosan with clay are also discussed. It is observed that nanocomposites are exhibiting better thermal and physical properties than neat chitosang-LA and PLA. (c) 2006 Wiley Periodicals, Inc.
}, keywords = {Chitosan, contact angle, graft copolymerization, Nanocomposites, polylactic acid, water absorption}, issn = {1549-3296}, doi = {10.1002/jbm.a.30738}, author = {Depan, Dilip and Kumar, Annamalai Pratheep and Singh, Raj Pal} } @article { ISI:000241106900008, title = {Preparation and characterization of sulfonated syndiotactic polystyrene ionomers/organoclay nanocomposites}, journal = {Macromolecules}, volume = {39}, number = {21}, year = {2006}, month = {OCT}, pages = {7199-7203}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0024-9297}, doi = {10.1021/ma061471u}, author = {Govindaiah, P. and Mallikarjuna, S. R. and Ramesh, C.} } @article { ISI:000242427200014, title = {Preparation and characterization of urea-formaldehyde-pepsin bioconjugate: a new biocatalyst system}, journal = {Biotechnology Progress}, volume = {22}, number = {6}, year = {2006}, month = {DEC}, pages = {1585-1590}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
This study describes the synthesis of urea formaldehyde (UF) microspheres by a dispersion polycondensation polymerization method. These microspheres with proper F/U molar ratio can provide highly reactive groups, capable of further condensation with the amino acid residues of enzyme/proteins. Presence of methylols groups in UF microspheres was confirmed by C-13 NMR study. Pepsin, a proteolytic enzyme, was immobilized on the UF microspheres to form bioconjugate system. As compared to the free enzyme in solution, the pepsin in the bioconjugate system exhibited significantly enhanced pH and temperature stability. The urea-formaldehydepepsin bioconjugate system also exhibited excellent proteolytic activity over eight successive reuse cycles with more than 50\% of initial activity. A highlight of this new biocatalyst is the ease with which separation of this biocatalyst from the reaction medium may be achieved by mild centrifugation.
}, issn = {8756-7938}, doi = {10.1021/bp0602247}, author = {Vinod, V. P. and Shinde, Sudhirkumar and D{\textquoteright}Britto, Virginia and Shukla, P. G. and Rao, Mala} } @article { ISI:000239688400001, title = {Preparation and performance evaluation of EPDM nanocomposites under accelerated weathering}, journal = {Journal of Thermoplastic Composite Materials}, volume = {19}, number = {5}, year = {2006}, month = {SEP}, pages = {461-474}, publisher = {SAGE PUBLICATIONS LTD}, type = {Article}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {
The degradability of ethylene propylene diene monomer (EPDM) nanocomposites, prepared from organically modified montmorillonite (CMMT), is studied under accelerated UV irradiation (lambda \>= 290 nm) for different time intervals. The development of functional groups during degradation is monitored by FT-IR spectroscopy whereas, surface changes are studied by scanning electron microscopy (SEM). The effect of clay modifier and clay concentration on the degradability are studied. The degradation of neat polymer and composites taking place traditionally and an increase in carbonyl and hydroxyl groups are observed with irradiation time. Neat EPDM is found to be less degradable than nanocomposites. Degradation products, as seen by FT-IR in nanocomposites are found to be the same as in neat polymer but are generated at a faster rate. According to the experimental results, one can define that both ammonium ion and neat montmorillonite (MMT) accelerate the photo-oxidation of EPDM.
}, keywords = {carbonyl index, Degradation, EPDM, layered silicates, Nanocomposites, photooxidation}, issn = {0892-7057}, doi = {10.1177/0892705706062204}, author = {Rana, Sravendra and Tevtia, Amit K. and Kumar, Bijendra and Singh, R. P.} } @article { ISI:000235256200004, title = {Preparation of gamma-Fe2O3 nanoparticles using DC thermal arc-plasma route, their characterization and magnetic properties}, journal = {Scripta Materialia}, volume = {54}, number = {7}, year = {2006}, month = {APR}, pages = {1235-1240}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
gamma-Fe2O3 particles were prepared, for the first time, using a direct current thermal arc-plasma route. The powder was characterized using X-ray diffraction, Mossbauer spectroscopy, X-ray photoelectron spectroscopy, chemical analysis, vibrating sample magnetometry C and transmission electron microscopy. The high purity, stoichiometry and spherical morphology of the gamma-Fe2O3 particles (saturation magnetization = 79 emu g(-1) and coercivity = 348 Oe) were confirmed. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
}, keywords = {chemical analysis, DC thermal arc-plasma route, maghemite, Mossbauer spectroscopy, XPS}, issn = {1359-6462}, doi = {10.1016/j.scriptamat.2005.12.029}, author = {Banerjee, Indrani and Khollam, Y. B. and Balasubramanian, C. and Pasricha, R. and Bakare, P. P. and Patil, K. R. and Das, A. K. and Bhoraskar, S. V.} } @article { ISI:000234951400008, title = {Preparation of nanocrystalline ferroelectric BaBi4Ti4O15 by Pechini method}, journal = {Materials Letters}, volume = {60}, number = {8}, year = {2006}, month = {APR}, pages = {1023-1025}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A gel was formed when an aqueous solution of BaCl2, BiNO3, TiOCl2 and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 600 degrees C produced the nano crystallites of ternary oxide, BaBi4Ti4O15 (BBT). The phase contents and lattice parameters were Studied by the powder X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). The room temperature dielectric constant at I KHz is 90. The ferroelectric hysteresis loop parameters of these samples were also studied by a home built Sawyer-tower circuit. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {dielectric properties, Electron microscopy, ferroelectric properties, powders chemical preparation}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.10.068}, author = {Murugan, A. Vadivel and Navale, S. C. and Ravi, V.} } @article { ISI:000238443200008, title = {Production of lactic acid and fructose from media with cane sugar using mutant of Lactobacillus delbrueckii NCIM 2365}, journal = {Letters in Applied Microbiology}, volume = {43}, number = {1}, year = {2006}, month = {JUL}, pages = {53-57}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
Aims: To examine the potential of Lactobacillus delbrueckii mutant, Uc-3 to produce lactic acid and fructose from sucrose-based media. Methods and Results: The mutant of L. delbrueckii NCIM 2365 was cultivated in shake flask containing hydrolysed cane sugar (sucrose)-based medium. The lactic acid yield and volumetric productivity with hydrolysed cane concentration up to 200 g l(-1) were in the range of 92-97\% of the theoretical value and between 2.7 and 3.8 g l(-1) h(-1), respectively. The fructose fraction of the syrup produced was more than 95\% when the total initial sugar concentration in the medium was higher (150-200 g l(-1)). There are no unwanted byproducts detected in the fermentation broth. Conclusions: We demonstrated that L. delbrueckii mutant Uc-3 was able to utilize glucose preferentially to produce lactic acid and fructose from hydrolysed cane sugar in batch fermentation process. Significance and Impact of the Study: These findings will be useful in the production of lactic acid and high fructose syrups using media with high concentrations of sucrose-based raw materials. This approach can lead to modification of the traditional fermentation processes to obtain value-added byproducts, attaining better process economics.
}, keywords = {fructose accumulation, hydrolyzed cane sugar, lactic acid production, Lactobacillus delbrueckii, Mutant}, issn = {0266-8254}, doi = {10.1111/j.1472-765X.2006.01907.x}, author = {Patil, S. S. and Kadam, S. R. and Patil, S. S. and Bastawade, Kulbhushan B. and Khire, Jayant Malhar and Gokhale, D. V.} } @article { ISI:000239739400011, title = {Promoter induced rapid synthesis of AlPO4-5 molecular sieve in non-aqueous media using hexamethyleneimine template}, journal = {Journal of the Indian Chemical Society}, volume = {83}, number = {7}, year = {2006}, month = {JUL}, pages = {692-696}, publisher = {INDIAN CHEMICAL SOC}, type = {Article}, address = {92 ACHARYA PRAFULLA CHANDRA RD ATTN:DR INDRAJIT KAR/EXEC SEC, CALCUTTA 700009, INDIA}, abstract = {
AlPO4-5 have been synthesized from non-aqueous media using hexamethyleneimine template in presence of sodium ions. The results show that the sodium catalyses the nucleation and crystallization process of the formation of AlPO4-5 molecular sieve. The material synthesized was characterized by XRD, SEM, carbon and nitrogen analysis, TG/DTA, FT-IR, Al-27 and P-31 MASNMR. The results show that the samples are highly crystalline. The presence of octahedral and tetrahedral sites are observed in 27 At MASNMR, P-31 MASNMR gives only a single peak for tetrahedral phosphorous atoms.
}, keywords = {aluminophosphates, Molecular sieve, non-aqueous media}, issn = {0019-4522}, author = {Venkatathri, N.} } @article { ISI:000237576500008, title = {Propane conversion to aromatics on highly active H-GaAlMFI: effect of thermal pretreatment}, journal = {Energy \& Fuel}, volume = {20}, number = {3}, year = {2006}, month = {MAY}, pages = {919-922}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The propane aromatization activity over H-GaAlMFI has been investigated after different thermal pretreatments ( calcination temperature range: 500- 800 degrees C) at a reaction temperature of 500 degrees C and in the space velocity range of 1500-12000 cm(3)/g/h. The calcination temperature had a strong influence on the strong acidity of the zeolite, propane conversion, and aromatic distribution. The decrease in acidity with increased thermal treatment severity correlated well with the decrease in the framework Ga. There was a considerable decrease in propane aromatization activity at calcination temperatures above 600 degrees C. The effect of calcination temperature on the propane aromatization activity can be explained in terms of change in the strong acidity of the zeolite and the extraframework Ga content. The selectivity for aromatics was found to decrease with increasing thermal pretreatment severity, while that for methane, ethane, and propylene was found to increase. The aromatic distribution was also influenced by the thermal pretreatment; the selectivity for benzene increased with increasing pretreatment temperature, while the selectivity for toluene, C-8 aromatics, and C9+ aromatics decreased.
}, issn = {0887-0624}, doi = {10.1021/ef050328j}, author = {Choudhary, Tushar V. and Kinage, A. and Banerjee, S. and Choudhary, Vasant R.} } @article { ISI:000239278600023, title = {Propargyl glycosides as stable glycosyl donors: anomeric activation and glycoside syntheses}, journal = {Journal of the American Chemical Society}, volume = {128}, number = {30}, year = {2006}, month = {AUG}, pages = {Article No. JA062425C}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0002-7863}, doi = {10.1021/ja062425c}, author = {Hotha, Srinivas and Kashyap, Sudhir} } @article { ISI:000237610600013, title = {Purification, characterization and substrate specificity of thermostable alpha-galactosidase from Bacillus stearothermophilus (NCIM-5146)}, journal = {Process Biochemistry}, volume = {41}, number = {6}, year = {2006}, month = {JUN}, pages = {1311-1317}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
An extracellular thermostable alpha-galactosidase from Bacillus stearothermophilus (NCIM-5146) has been purified to homogeneity by chromatographic step, using Phenyl Sepharose CL-4B column. The specific activity of the enzyme was increased approximately 389-fold, from 1.03 U/mg protein to 400 U/mg protein. The molecular mass of the purified enzyme as determined by SDS-PAGE and gel filtration was 79.9 and 165.9 kDa, respectively, suggesting dimeric nature. The purified alpha-galactosidase is a non-glycosylated protein with a pI of 4.9. The pH and temperature optima for the purified enzyme are 6.5-7.0 and 65 degrees C, respectively. The alpha-galactosidase is stable over a broad pH range (3-9) and its half-life of inactivation (t(1/2)) at 70 degrees C is 30 min. The partial N-terminal sequence of alpha-galactosidase showed remarkable homology (80\% similarity) with earlier reported alpha-galactosidase from B. stearothermophilus NUB 3621. The secondary structure of the enzyme determined by circular dichroism (CD) spectroscopy exhibited alpha/beta class of protein and showed temperature induced conformational forms below and above the transition temperature. The purified enzyme showed biphasic Arrhenius plot with break point at 55 degrees C for pNPG and 50 degrees C for melibiose, raffinose and stachyose. The enzyme hydrolyzes alpha-1-3, alpha-1-4, and alpha-1-6 galactosidic linkages and not the beta-galactosidic linkages. Synthetic substrates pNPG and oNPG had lower K-m and higher K-cat as compare to natural substrates, melibiose, raffinose, and stachyose. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {alpha-galactosidase, Bacillus stearothermophilus (NCIM-5146), Purification, Secondary structure, thermostable enzyme}, issn = {1359-5113}, doi = {10.1016/j.procbio.2006.01.003}, author = {Gote, M. M. and Khan, Mohammad Islam and Gokhale, D. V. and Bastawade, Kulbhushan B. and Khire, Jayant Malhar} } @article { ISI:000238086600005, title = {Radiation assisted synthesis of nanosized barium zirconate}, journal = {Radiation Physics and Chemistry}, volume = {75}, number = {7}, year = {2006}, month = {JUL}, pages = {755-759}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
This paper reports the synthesis of refractory barium zirconate using solid-state reactive precursors subjected to gamma-radiations of a Co-60 source. Influence of varying doses on the formation of cubic phase of BaZrO3 has been investigated with the stepwise analysis of the intermediate products by means of FT-IR, XRD and TGA techniques. TEM depicts the nanospherical nature of the BaZrO3 particles. (C) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {Ceramics, gamma-radiation, Nanoparticles, perovskite, refractory, XRD}, issn = {0969-806X}, doi = {10.1016/j.radphyschem.2005.12.041}, author = {Athawale, Anjali A. and Chandwadkar, Asha J. and Karandikar, Prashant R. and Pasricha, R. and Bapat, Malini S.} } @article { ISI:000237600800007, title = {Rapid molecular identification of freshly squeezed and reconstituted orange juice}, journal = { International Journal of Food Science and Technology}, volume = {41}, number = {6}, year = {2006}, month = {JUN}, pages = {646-651}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
This work presents a rapid and accurate molecular approach in the identification of freshly squeezed and reconstituted orange juice. Primers were designed based on the 18S and internal transcribed spacer (ITS) region. The findings indicated that self-made freshly squeezed orange juice heated to 80 degrees C for 30 s caused damage to DNA integrity, thus failing in amplification by primer 18S-ITSe, which gives a polymerase chain reaction product of 2081 bp, whereas primer 18S-ITSf, fragment length 2421 bp, could only be seen in heating conditions less stringent than 70 degrees C, 15 s. This new DNA integrity-dependent method has potential applications in identifying adulteration of freshly or processed orange juice.
}, keywords = {adulteration, citrus, DNA degradation, molecular detection, reconstituted juice}, issn = {0950-5423}, doi = {10.1111/j.1365-2621.2006.01125.x}, author = {Ng, C. C. and Chang, C. C. and Wu, I. C. and Kotwal, S. and Shyu, Y. T.} } @article { ISI:000237725100015, title = {Regioselective nitration of cumene to 4-nitro cumene using nitric acid over solid acid catalyst}, journal = {Catalysis Communications}, volume = {7}, number = {6}, year = {2006}, month = {JUN}, pages = {394-398}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The regioselective nitration of cumene to 4-nitro cumene (4-NC) has been carried out using 70\% nitric acid over MoO3/SiO2 solid acid catalyst with high conversion (62\%) and selectivity (68\%) for 4-NC. A series of MoO3/SiO2 catalysts with different MoO3 loadings (1-20 mol\%) were prepared by sol-gel technique and characterized using different characterization techniques. XRD analysis revealed the amorphous nature of the catalyst up to 10-mol\% MoO3 loading and formation of alpha-MoO3 crystalline phase on amorphous high surface area mesoporous silica support at higher MoO3 loading. Maximum conversion and selectivity has been obtained with slower addition of nitric acid and simultaneous azeotropic removal of water formed during the reaction. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {cumene, nitration, ring nitration, side chain nitration, solid acid catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2005.12.022}, author = {Mathew, Sanyo M. and Biradar, Ankush V. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article {Datar, title = {Remarkably rapid regioselective synthesis of beta-enaminones using silica chloride in a heterogeneous as well as an ionic liquid in a homogeneous medium at room temperature}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {245}, number = {1-2}, year = {2006}, note = {6th International Conference on Solvothermal Reactions, Mysore, INDIA, AUG 24-27, 2004}, month = {FEB}, pages = {37-46}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
{Silica chloride as a heterogeneous catalyst has been used for the regioselective synthesis of P-amino-a,P unsaturated esters and ketones. Similar regioselective synthesis was also performed using an ionic liquid 1-n-butyl imidazolium tetrafluoroborate [
}, keywords = {direct oxidation of H-2 to H2O2, H2O2 decomposition, H2O2 hydrogenation, Promoting action of chloride or bromide anions, supported Pd catalysts}, issn = {0021-9517}, doi = {10.1016/j.molcata.2005.09.021}, author = {Gholap, Atul R. and Chakor, N. S. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000238843200010, title = {Repetitive somatic embryogenesis and plant regeneration in Garcinia indica Choiss}, journal = {In Vitro Cellular \& Developmental Biology-Plant}, volume = {42}, number = {3}, year = {2006}, month = {MAY}, pages = {256-261}, publisher = {CABI PUBLISHING}, type = {Article}, address = {C/O PUBLISHING DIVISION, NOSWORTHY WAY, WALLINGFORD OX10 8DE, OXON, ENGLAND}, abstract = {
Immature seeds of Garcinia indica Choiss. were excised from immature fruits and cultured on Lloyd and McCown (1980), woody plant medium (WPM) with different combinations of auxins and cytokinins. Somatic embryos were obtained on the media supplemented with 6-benzylaminopurine (BA; 2.2-22.1 mu M) alone or in combination with alpha-naphthalene acetic acid (NAA; 2.6 mu M) with 80\% frequency within a period of 2-3 wk. Subculture of embryos on medium containing BA (16.0 mu M) supplemented with indole-3-acetic acid (IAA; 2.8-5.7 mu M) and/or kinetin (4.6 mu M) gave rise to clusters of secondary somatic embryos along with maturation of primary embryos. In subsequent subculture on hormone-free half-strength WPM, the embryo clusters germinated with an increase in the number of secondary somatic embryos. About 70\% of somatic embryos germinated into complete plantlets, which were successfully established under greenhouse conditions.
}, keywords = {Garcinia indica, guttifereae, secondary somatic embryos, seeds, somatic embryos}, issn = {1054-5476}, doi = {10.1079/IVP2006763}, author = {Thengane, Shubhada Ratnakar and Deodhar, Swapna R. and Bhosle, S. V. and Rawal, S. K.} } @article { ISI:000241197300015, title = {Response characteristics of conducting polypyrrole bi-layer actuators: role of backing layer polymer}, journal = {Sensors and Actuators B-Chemical}, volume = {119}, number = {1}, year = {2006}, month = {NOV}, pages = {94-98}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The response of a bi-layer conducting polymer-based actuator has been studied with respect to various parameters such as backing layer thickness, backing layer modulus, applied voltage, etc. The bending angles for the bi-layer actuators made by depositing, conducting polypyrrole (PPy) films on backing layers using LDPE/LLDPE, SBS, Hytrel, PP, PET materials have been compared. The response of the bi-layer actuators indicates that there is optimum for the backing layer thickness as well as its material modulus together with the thickness of the conducting polymer at which the maximum bending is observed. Other geometrical parameters such as a length to width ratio also influence the response of these actuators and have to be chosen properly for the best actuator performance. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {actuator, bi-layer, conducting polymer, polypyrrole, response}, issn = {0925-4005}, doi = {10.1016/j.snb.2005.11.061}, author = {Radhakrishnan, S. and Kar, Swarnendu B.} } @article { ISI:000239001900001, title = {Re-tooling Benson{\textquoteright}s group additivity method for estimation of the enthalpy of formation of free radicals: C/H and C/H/O groups}, journal = {Journal of Chemical and Engineering Data}, volume = {51}, number = {4}, year = {2006}, month = {JUL}, pages = {1169-1181}, publisher = {AMER CHEMICAL SOC}, type = {Review}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Enthalpy of formation of free radicals is often required for the discrimination of reaction mechanisms (for complex processes such as combustion, hydrocarbon oxidation, or decomposition of peroxides and hydroperoxides) involving both molecular species and free radicals. Despite the expanding availability of the experimental measurements, the database for the enthalpy of formation of radicals is still not comprehensive. One of the simplest, efficient, and reliable methods for estimating the quantity for organic radicals from their molecular structure is the group-additivity method due to Benson and co-workers. Perusal of the literature shows that the group-additivity values (GAV) for many radical groups have remained either undetermined or obtained by assignment to the corresponding molecular groups without justification. In this paper, we devise simple methodologies to evaluate GAVs for a number of new oxygen-containing radical groups and re-estimate several alkyl and oxygen-containing radical groups using experimental data on the radical enthalpy of formation. The validity of these GAVs has been established by comparing the predicted enthalpies with experimental data. Finally, some of these updated GAVs were used in estimating the enthalpy change associated with the typical elementary steps in a peroxide decomposition reaction.
}, issn = {0021-9568}, doi = {10.1021/je0503960}, author = {Bhattacharya, Arijit and Shivalkar, Sagar} } @article { ISI:000236691000034, title = {Reverse microemulsion mediated sol-gel synthesis of lithium silicate nanoparticles under ambient conditions: Scope for CO2 sequestration}, journal = {Chemical Engineering Science}, volume = {61}, number = {10}, year = {2006}, month = {MAY}, pages = {3415-3418}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We report on the synthesis of nanocrystalline lithium silicate by coupling of sol-gel method in reverse microemulsion. The sample calcined at 800 degrees C gives pure phase lithium metasilicate nanocrystallites. X-ray diffraction and transmission electron microscopy confirmed the formation of nanocrystalline lithium silicate particles with a narrow size distribution. The nanoparticle prepared in the microemulsion shows enhanced CO2 sorption capacity and shorter retention times at higher temperature (similar to 131 ml/g at STP at 610 degrees C which are better than the best known results. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Adsorption, Carbon dioxide, Microemulsion, particle, separations, sol-gel, surfactant}, issn = {0009-2509}, doi = {10.1016/j.ces.2005.11.065}, author = {Khomane, Ramdas B. and Sharma, B. K. and Saha, S. and Kulkarni, B. D.} } @article { ISI:000242873400029, title = {Ring closing metathesis approach to the indole alkaloid mitralactonine}, journal = {Tetrahedron Letters}, volume = {47}, number = {52}, year = {2006}, month = {DEC}, pages = {9301-9303}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient utilisation of RCM leading to a convenient synthesis of a pentacyclic indole alkaloid is described. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {corynanthe type alkaloid, Dihydroxylation, mitralactonine, RCM, Swern oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.10.106}, author = {Chavan, Subhash P. and Sharma, Pallavi and Sivappa, R. and Kalkote, Uttam R.} } @article { ISI:000238416100033, title = {Ring hydrogenation of naphthalene and 1-naphthol over supported metal catalysts in supercritical carbon dioxide solvent}, journal = {Catalysis Today}, volume = {115}, number = {1-4}, year = {2006}, note = {8th International Conference on Carbon Dioxide Utilization, Univ Oslo, Oslo, NORWAY, JUN 20-23, 2005}, month = {JUN}, pages = {248-253}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Catalytic ring hydrogenations of naphthalene and 1-naphthol were studied over several supported metal catalysts in supercritical carbon dioxide solvent at low temperature. Higher concentration of hydrogen in supercritical carbon dioxide and lower reaction temperature were responsible for higher catalyst activity and selectivities to the desired partial ring hydrogenated products as compared with those observed in organic solvent for the same catalyst. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {1-naphthol, Hydrogenation, Naphthalene, Supercritical carbon dioxide, supported metal catalyst}, issn = {0920-5861}, doi = {10.1016/j.cattod.2006.02.048}, author = {Shirai, M. and Rode, C. V. and Mine, Eiichi and Sasaki, A. and Sato, O. and Hiyoshi, Norihito} } @article { ISI:000237003000008, title = {Role of dopant ions in electrocatalytic oxidation of methanol using conducting polypyrrole electrodes}, journal = {Journal of Power Sources}, volume = {155}, number = {2}, year = {2006}, month = {APR}, pages = {157-160}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Conducting polypyrrole electrodes obtained by electro-polymerization of pyrrole on vacuum metallized glass substrates are modified by doping with a range of metal halides as dopant ions having different electronegativity. Electro-oxidation of methanol using these electrodes is studied by means of cyclic voltammetry in 0.1 M HCiO(4) as supporting electrolyte. It is found that the electronegativity of the dopant ion plays a very important role in the electrocatalytic activity. Polypyrrole doped with zirconium chloride gives the highest anodic current of 10 mA cm(-2) at the oxidation potential of methanol. The results are explained on the basis of the charge-transfer efficiency at the electrode I electrolyte interface, which is associated with the acceptor state created by the dopant in the semi-conducting polymer. (c) 2005 Published by Elsevier B.V.
}, keywords = {conducting polymers, electrocatalysis, fuel cells, Methanol oxidation, polypyrrole}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2005.03.234}, author = {Radhakrishnan, S. and Adhikari, Arindam} } @article { ISI:000241361400002, title = {Role of glucose in production and repression of polygalacturonase and pectate lyase from phytopathogenic fungus Fusarium moniliforme NCIM 1276}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {22}, number = {9}, year = {2006}, month = {SEP}, pages = {893-899}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
A mangrove fungal isolate Fusarium moniliforme NCIM 1276 was found to produce the maximum extracellular endopolygalacturonase and pectate lyase activities in liquid medium containing 1\% citrus pectin and 0.2\% glucose at pH 5 and pH 8, respectively. The enzyme secretion started after 10 h, when the spores were completely germinated, and maximum production occurred after 72 h in the extracellular medium. The production of polygalacturonase was enhanced by 0.2\% glucose and completely repressed by 1\% glucose. Pectate lyase secretion was also induced by a similar concentration of glucose in the extracellular medium and significantly decreased at 1\% glucose. Quantification of extracellular and intracellular polygalacturonase and pectate lyase protein concentrations by ELISA and immunocytolocalization data suggested that glucose may control the expression of both enzymes at a transcriptional level.
}, keywords = {catabolic repression, Fusarium moniliforme, inducible enzyme, pectate lyase, polygalacturonase}, issn = {0959-3993}, doi = {10.1007/s11274-006-9119-3}, author = {Niture, Suryakant K. and Kumar, Ameeta R. and Pant, Aditi} } @article {18}, title = {Role of halide ions and temperature on the morphology of biologically synthesized gold nanotriangles}, journal = {Langmuir}, volume = {22}, number = {2}, year = {2006}, month = {JAN}, pages = {736-741}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{In this paper, we demonstrate the effect of halide ions on the formation of biogenically prepared gold nanotriangles using the leaf extract of lemongrass (Cymbopogonflextiosus) plant. We have also studied the effect of halide ions on the morphology of biogenic nanotriangles. It has been shown that iodide ions have a greater propensity to transform flat gold nanotriangles into circular disklike structures as compared to other halide ions. The study also suggests that the presence of Cl- ions during the synthesis promotes the growth of nanotriangles, whereas the presence of I- ions distorts the nanotriangle morphology and induces the formation of aggregated spherical nanoparticles. The change in the morphology of gold nanotriangles has been explained in terms of the ability of the halide ions to stabilize or inhibit the formation of (I 11) faces to form [
}, keywords = {DME steam reforming, fuel cells, Hydrogen, Mixed oxides, supported Ga2O3, XPS}, issn = {1520-6106}, doi = {10.1021/la052055q}, author = {Rai, A. and Singh, A. and Ahmad, Absar and Sastry, M.} } @article { ISI:000241949000010, title = {Role of ligands in the formation, phase stabilization, structural and magnetic properties of alpha-Fe2O3 nanoparticles}, journal = {Journal of Nanoparticle Research}, volume = {8}, number = {5}, year = {2006}, month = {OCT}, pages = {635-643}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The electrochemical synthesis of alpha Fe2O3 nanoparticles was performed using quaternary ammonium salts viz. TPAB, TBAB and TOAB in an organic medium by optimizing current density and molar concentration of the ligand. The role of ligands in the formation of alpha phase, structure and magnetic properties was investigated in details. The effect of increasing chain length on the particle size confirmed that as the chain length increases from propyl to octyl, the particle size decreases. X-ray diffraction spectra of as prepared samples and TEM analysis confirmed the amorphous nature of iron oxide. TEM showed beads of iron oxide joined together with a size distribution in the range of 6-30 nm. The Mossbauer studies also support this observation that for the lowest particle size, the line width is broader which successively reduces with increase in particle size. Iron oxide capped with TOAB indicated superparamagnetic nature at room temperature. The resultant internal magnetic field of 506 mm/s due to hyperfine splitting clearly established the formation of alpha-Fe2O3 The infrared spectroscopy and pH measurements revealed the binding of tetra alkyl ligand with iron oxide. The IR spectra and the increase in basicity of as prepared samples confirmed the formation of hydrated iron oxide. Above 800 degrees C the spectra indicated only iron oxide. Surface area obtained by BET method was 205 m(2)/g.
}, keywords = {Alkyl chain length, alpha-Fe2O3, Electrochemistry, magnetic properties, Nanoparticles, narrow size distribution}, issn = {1388-0764}, doi = {10.1007/s11051-005-9033-x}, author = {Joshi, Satyawati S. and Patil, Prajakta R. and Nimase, Madhav S. and Bakare, P. P.} } @article { ISI:000236922600002, title = {Room temperature synthesis of mesoporous aggregates of anatase TiO2 nanoparticles}, journal = {Materials Chemistry and Physics}, volume = {97}, number = {2-3}, year = {2006}, month = {JUN}, pages = {207-212}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The controlled hydrolysis reaction of titanium tetrabutoxide in presence of acetic acid in isopropanol, i.e. in non-aqueous media was adopted in the present work for the synthesis of nanocrystalline titania followed by aging at ambient conditions for longer duration. The powder XRD shows that the as-dried precursor (without any aging) is non-crystalline in nature. However, room temperature aging for longer duration \> 120 days not only helped to develop crystallinity in TiO2 nanoparticles but also led to the formation of their self-assembly towards mesoporous aggregates creating sponge like TiO2 nano-structure having high surface area similar to 250m (2) g(-1)and narrow pore size distribution of 4-5 nm. TEM observations revealed the generation of spherical TiO2 nanoparticles (4-5 nm) assembled to form stable spongy scaffold having porous network structure with pore size 5-6 nm. Also, presence of a pronounced hysteresis loop in BET isotherm is indicative of a 3D-intersection network of the pores of size 4-5 nm. Further heat-treatment to the aged precursor at 400 degrees C/2 h in air modify pore network structure due to sintering of TiO2 particles as is observed in TEM studies and lowering thereby the surface area to 125 m(2) g(-1) (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Microstructure, porous materials, sol-gel processing, titania}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.02.014}, author = {Deshpande, S. B. and Potdar, H. S. and Khollam, Y. B. and Patil, K. R. and Pasricha, R. and Jacob, Nalini E.} } @article { ISI:000240291900046, title = {Room-temperature biosynthesis of ferroelectric barium titanate nanoparticles}, journal = {Journal of the American Chemical Society}, volume = {128}, number = {36}, year = {2006}, month = {SEP}, pages = {Article No. JA063011M}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The syntheses of inorganic materials by biological systems is characterized by processes that occur close to ambient temperatures, pressures, and neutral pH, as is exemplified by biosilicification and biomineralization processes in nature. Conversely, laboratory-based syntheses of oxide materials often require extremes of temperature and pressure. We have shown here the extracellular, room-temperature biosynthesis of 4-5 nm ternary oxide nanoparticles such as barium titanate (BT) using a fungus-mediated approach. The tetragonality as well as a lowered Curie transition temperature in sub-10 nm particles was established, and the ferroelectricity in these particles was shown using Kelvin probe microscopy.
}, issn = {0002-7863}, doi = {10.1021/ja063011m}, author = {Bansal, Vipul and Poddar, Pankaj and Ahmad, Absar and Sastry, Murali} } @article {42758, title = {Ruthenium(II), copper(I) and silver(I) complexes of large bite bisphosphinite, bis(2-diphenylphosphinoxynaphthalen-1-yl)methane: Application of Ru(II) complexes towards the hydrogenation of styrene and phenylacetylene}, journal = {Journal of Organometallic Chemistry}, volume = {691}, year = {2006}, month = {JUL}, pages = {4265{\textendash}4272}, type = {Article}, abstract = {
Ruthenium(II), copper(I) and silver(I) complexes of large bite bisphosphinite Ph2P{(-OC10H6)(μ-CH2)(C10H6O-)}PPh2 (1) are described. Reactions of bisphosphinite 1 with [Ru(η6-p-cymene)(μ-Cl)Cl]2 and RuCl2(PPh3)3 afford mono- and bis-chelate complexes [RuCl(η6-p-cymene){η2-Ph2P{(-OC10H6)(μ-CH2)(C10H6O-)}PPh2-κP,κP}]Cl (2) and trans-[RuCl2{η2-Ph2P{(-OC10H6)(μ-CH2)(C10H6O-)}PPh2-κP,κP}2] (3), respectively. Treatment of 1 with CuX (X = Cl, Br and I) furnish 10-membered chelate complexes of the type [Cu(X){η2-Ph2P(-OC10H6)(μ-CH2)(C10H6O-)PPh2-κP,κP}] (4, X = Cl; 5, X = Br; 6, X = I), whereas [Cu(MeCN)4]PF6 affords a bis-chelated cationic complex [Cu{η2-Ph2P(-OC10H6)(μ-CH2)(C10H6O-)PPh2-κP,κP}2][PF6] (7). Reaction between 1 and AgOTf produce both mono- and bis-chelated complexes [Ag{η2-Ph2P(-OC10H6)(μ-CH2)(C10H6O-)PPh2-κP,κP}(SO3CF3)] (8) and [Ag{η2-Ph2P(-OC10H6)(μ-CH2)(C10H6O-)PPh2-κP,κP}2][SO3CF3] (9), respectively; whereas the similar reaction of 1 with[Ag(OTf)PPh3] affords chelate complex of the type [Ag{η2-Ph2P(-OC10H6)(μ-CH2)(C10H6O-)PPh2-κP,κP}(PPh3)(SO3CF3)] (10). All the complexes were characterized by 1H NMR, 31P NMR, elemental analysis and mass spectrometry, including low-temperature NMR studies in the case of silver complexes. The molecular structures of 4 and 6 are determined by X-ray diffraction studies. Ruthenium complexes 2 and 3 promote catalytic hydrogenation of styrene and phenylacetylene with good turnover numbers.
}, doi = {10.1016/j.jorganchem.2006.06.040}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article { ISI:000240439900043, title = {Selective hydrogenation of naphthols to tetralones over supported palladium catalysts in supercritical carbon dioxide solvent}, journal = {Chemistry Letters}, volume = {35}, number = {7}, year = {2006}, month = {JUL}, pages = {780-781}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
Naphthols were selectively hydrogenated to the corresponding tetralones over supported palladium metal catalysts in super-critical carbon dioxide solvent.
}, issn = {0366-7022}, doi = {10.1246/cl.2006.780}, author = {Mine, Eiichi and Hiyoshi, Norihito and Sato, Osamu and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article { ISI:000241591900007, title = {Selective ortho-methylation of phenol with methanol over copper manganese mixed-oxide spinel catalysts}, journal = {Journal of Catalysis}, volume = {243}, number = {2}, year = {2006}, month = {OCT}, pages = {278-291}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Methylation of phenol with methanol as an alkylating agent to produce 2,6-xylenol was investigated over copper manganese mixed oxide spinels, CuxMn3-xO4 (x = 0, 0.25, 0.5, 0.75, and 1) prepared through co-precipitation. The catalytic activity strongly depends on the composition, acid-base properties, and structural stability. Various parameters, including catalyst composition, reaction temperature, feed composition, and durability of the catalyst during methylation, were investigated. Mainly o-cresol and 2,6-xylenol, along with small amounts of mesitol, were found in the product. A high ortho-selectivity of 100\%, with 2,6-xylenol selectivity of 74\%, was observed over Cu0.25Mn2.75O4 at 673 K. These catalysts were investigated using various techniques, including BET surface area, XRD, DRS UV-vis, TPD of NH3 and CO2, TPR, and X-ray photoemission spectroscopy (XPS). Powder XRD of the catalysts revealed the formation of copper-manganese spinels with hausmannite (Mn3O4) tetragonal structure, for x = 0-0.5, whereas an increase in copper content (x \> 0.5) led to the formation of cubic Cu1.5Mn1.5O4 phase. DRS UV-vis, and FTIR further supported the changes in structural phases observed by XRD. Temperature-programmed desorption Of CO2 and NH3 showed that the catalysts have strong basicity along with weak acidity when x = 0 and 0.25. XPS and XAES analysis revealed the presence of only Cu2+ ions in fresh sample with x = 0.25, whereas for x = 1.0, both Cu1+ and Cu2+ were observed. The deactivation of the catalysts is attributed to structural changes occurring during the reaction. Catalytic activity is correlated with structure, as well as with acid-base properties. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {2, 6-xylenol, acidity-basicity, copper-manganese oxides, ortho-alkylation, phenol methylation, Spinels}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.07.014}, author = {Reddy, A. Satyanarayana and Gopinath, Chinnakonda S. and Chilukuri, Satyanarayana V.} } @article { ISI:000241591900017, title = {Selective production of methoxyphenols from dihydroxybenzenes on alkali metal ion-loaded MgO}, journal = {Journal of Catalysis}, volume = {243}, number = {2}, year = {2006}, month = {OCT}, pages = {376-388}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Selective O-methylation of dihydroxybenzenes (DHBs; catechol, resorcinol, and hydroquinone) to methoxyphenols (MPs) was carried out with dimethylcarbonate on MgO and alkali metal ion (Li, K, and Cs)-loaded MgO between 523 and 603 K. Catalytic activity and product selectivity varied with respect to DHB substrates. Selectivity for O-methylated products increased with increasing basicity of alkali ions; however, K-MgO showed high and stable activity toward MPs. Selectivity for MPs obtained from three substrates increased in the following order: catechol \< resorcinol \< hydroquinone. The mode of interaction of substrates on the catalysts surface influenced reactivity and product selectivity. It is likely that the low reaction temperatures used (\< 603 K) kinetically control and favor high MP selectivity from DHBs. Calcined and spent catalysts were characterized by XRD, surface area, SEM, thermal analysis, NMR, and XPS. XRD analysis revealed the formation of alkali oxide phases on alkali-loaded MgO. Crystallite size and surface area of the catalysts decreased after methylation reactions, except on K-MgO. TGA showed 4060 wt\% coke deposition on spent catalysts. TGA in N-2 followed by air and C-13 CP-MAS NMR measurements indicated the nature of deposited carbon to be molecular species, graphite, MgCO3 and polyaromatics. XPS revealed the nature and availability of active sites on the spent catalysts, as well as the same changes with reaction conditions and correlated with catalytic activity. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {alkali-loaded MgO, dihydroxybenzene, K-MgO, methoxyphenol, MgO, O-methylation, thermal analysis, XPS}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.08.009}, author = {Vijayaraj, Munusamy and Gopinath, Chinnakonda S.} } @article {42591, title = {Self-organization-induced three-dimensional honeycomb pattern in structure-controlled bulky methacrylate polymers:}, journal = {Journal of Physical Chemistry B}, volume = {110}, year = {2006}, month = {OCT}, pages = {21450{\textendash}21459}, type = {Article}, abstract = {
Here we report, for the first time, a novel molecular design for three-dimensional honeycomb structures through a self-organization of hydrogen-bonded bulky anchoring group in a methacrylic polymer backbone. The polymerizable monomer design includes a methacrylic double bond linked to various hydrophobic anchoring units such as ethane, n-decane, tricyclodecane (TCD), and adamantane via a hydrogen-bonded cycloaliphatic urethane linkage. The structures of the polymers were confirmed by nuclear magnetic resonance (NMR) and the molecular weights of the polymer were determined by gel permeation chromatography (GPC). The methacrylate polymers having tricyclodecane and adamantane bulky anchoring groups self-organized to produce three-dimensional honeycomb patterns in tetrahydrofuran-water solvent mixture at ambient conditions, whereas its linear analogues (ethane, n-decane) failed to produce any micropattern. The scanning electron microscopy (SEM) analysis of the above-prepared polymer films revealed that the structure of the polymer played a major role in the formation of the honeycomb patterns. The solution Fourier transform infrared (FTIR) measurements confirmed that the bulky tricyclodecane and adamantane polymers have strong hydrogen-bonding interaction compared to that of their linear analogues, which is the driving force for the micropatterns. Transmission electron microscopy (TEM) and atomic force microscopy (AFM) analysis of the bulky polymers revealed that the polymers exist as vesicles or micelles in the solution, which leads to the formation of the honeycomb pattern. The honeycomb pattern formation in the bulky polymer systems suggests that two cooperative factors such as hydrogen-bonding interaction and hydrophobicity of bulky anchoring units are necessary to induce three-dimensional honeycomb structures. To investigate the effect of molecular weights and its distribution on the self-organization process, both benzoyl peroxide (BPO) initiated free radical and atom transfer radical polymerization (ATRP) techniques were employed for the polymerization. Micropores formed irrespective of differences in molecular weight and polydispersity index (PDI); however, the pore size distribution was influenced by both molecular weights and PDI. Low molecular weight samples afforded polydisperse pores with the ATRP samples with more narrow PDI producing pores with large dimensions. The approach has also been investigated for polystyrene-bulky methacrylic copolymer, and the results revealed that uniform honeycomb patterns were produced for copolymers having more than 50 mol \% incorporation of bulky units.
}, doi = {10.1021/jp063469a}, author = {Deepak, V. D. and Asha, S. K.} } @article { ISI:000238502400034, title = {Shape selective synthesis of long-chain linear alkyl benzene (LAB) with AIMCM-41/beta zeolite composite catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {253}, number = {1-2}, year = {2006}, month = {JUL}, pages = {239-244}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The liquid-phase alkylation of benzene with long-chain olefins such as 1-decene, 1-octene and 1-dodecene was carried out over AIMCM-41/Beta zeolite composite material as catalyst. The catalyst was prepared by seeding method and characterized by XRD, N-2 sorption, FTIR pyridine adsorption, NH3-TPD and SEM. Powder XRD of AlMCM-41/Beta zeolite composite material showed the co-existence of well-structured microporous and mesophase of AlMCM-41. The typical textural characteristics of micro- and meso-structured phases were observed in the composite material. The effect of temperature, reactant molar ratios and catalyst weight on 1-dodecene conversion and products selectivity was studied. The composite catalyst was found to be the highly selective towards the formation 2-dodecylbenzene. Under the reaction conditions of 120 degrees C, benzene/1-dodecene molar ratio 10 and time 2h, the catalyst gave 48\% dodecene conversion with 76\%, 2-dodecylbenzene selectivity. Significant improvement in catalytic activity has been achieved by composite material as compared to Al-MCM-41. Although zeolite beta and composite material gave similar conversion of dodecene, the composite material showed higher selectivity towards 2-dodecylbenzene, which could be due to higher diffusibility of 2-dodecylbenzene isomer in the composite material. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {AIMCM-41/beta zeolite composite, Alkylation, Benzene, long-chain olefins}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.03.045}, author = {Bordoloi, Ankur and Devassy, Biju M. and Niphadkar, P. S. and Joshi, P. N. and Halligudi, Shivaraj B.} } @article { ISI:000240670800021, title = {Short and practical enantioselective synthesis of linezolid and eperezolid via proline-catalyzed asymmetric alpha-aminooxylation}, journal = {Tetrahedron Letters}, volume = {47}, number = {38}, year = {2006}, month = {SEP}, pages = {6799-6802}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient enantioselective synthesis of the antibacterials, linezolid (U-100766), and eperezolid (U-100592) using D-proline-catalyzed asymmetric alpha-aminooxylation of aldehydes as the key step is described here. This is the first report on the enantioselective synthesis of linezolid and eperezolid using asymmetric catalysis. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.07.065}, author = {Narina, Srinivasarao V. and Sudalai, Arumugam} } @article { ISI:000241179400021, title = {Short enantioselective synthesis of (-)-chloramphenicol and (+)-thiamphenicol using tethered aminohydroxylation}, journal = {Tetrahedron}, volume = {62}, number = {43}, year = {2006}, month = {OCT}, pages = {10202-10207}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient enantioselective synthesis of (-)-chloramphenicol (1) and (+)-thiamphenicol (2) is described. These antibiotics have been synthesized from commercially available 4-nitrobenzaldehyde and 4-(methylthio)benzaldehyde, respectively, using tethered amino-hydroxylation and Sharpless asymmetric epoxidation as the chirality inducing steps. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {asymmetric epoxidation, Asymmetric synthesis, Kinetic resolution, Tethered aminohydroxylation}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.08.019}, author = {George, Shyla and Narina, Srinivasarao V. and Sudalai, Arumugarn} } @article { ISI:000240670800024, title = {Short enantioselective synthesis of the antiepileptic agent, levetiracetam based on proline-catalyzed asymmetric alpha-aminooxylation}, journal = {Tetrahedron Letters}, volume = {47}, number = {38}, year = {2006}, month = {SEP}, pages = {6813-6815}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient enantioselective synthesis of a new antiepileptic drug, levetiracetam is described, in high optical purity (\> 99.5\% ee), using proline-catalyzed alpha-aminooxylation of n-butyraldehyde as the key step. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.07.061}, author = {Kotkar, Shriram P. and Sudalai, Arumugam} } @article { ISI:000239224100005, title = {Silica-supported bis(imino)pyridyl iron(II) catalyst: nature of the support-catalyst interactions}, journal = {Polymer International}, volume = {55}, number = {8}, year = {2006}, month = {AUG}, pages = {854-861}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
Ethylene polymerizations were performed using silica-supported 2,6-bis[1-(2,6-diisopropylphenylimino) ethyl] pyridine iron(II) dichloride with methylaluminoxane (MAO) as co-catalyst. Silica was calcined at 600, 400 and 200 degrees C under vacuum for 8 h. The effect of calcination temperature of silica on the polymerization activity and the properties of the polymers obtained were examined. Catalyst-support interactions were examined by both a chemical method and XPS. It was observed that upon supporting the catalyst on the surface of silica, there is an increase in the binding energy of the metal center. However, no change in the metal binding energy was observed on supporting the catalyst to silica calcined at different temperatures. Ethylene polymerizations were performed using MAO as co-catalyst. Catalysts were also prepared by first pretreating silica with NIAO, followed by addition of the Fe(II) catalyst and contacting a complex of Fe(II) catalyst-MAO with silica previously calcined at 400 degrees C for 8 h. The results indicate that there is no chemical bonding between the support and the catalyst. (C). 2006 Society of Chemical Industry.
}, keywords = {bis(imino) pyridyl iron(II) complex, Polyethylene, silica, supported catalyst, XPS}, issn = {0959-8103}, doi = {10.1002/pi.2020}, author = {Ray, Saptarshi and Sivaram, Swaminathan} } @article {36}, title = {Sites for CO2 activation over amine-functionalized mesoporous Ti(Al)-SBA-15 catalysts}, journal = {Microporous and Mesoporous Materials}, volume = {90}, number = {1-3}, year = {2006}, month = {MAR}, pages = {314-326}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{Activation of CO and its utilization in the synthesis of chloropropene and styrene carbonates over functionalized, mesoporous SBA-15 solids, have been investigated. The surface basicity of SBA-15 was modified with nitrogen-based organic molecules of varying basicity viz., alkyl amines (-NH2), adenine (Ade), imidazole (Im) and guanine (Gua). The surface of SBA-15 was also functionalized with Ti4+ and Al3+ species. The acid-base properties of these modified SBA-15 materials were investigated by temperature-programmed desorption (TPD) and diffuse-reflectance infrared Fourier transform (DRIFT) spectroscopy. NH3 and pyridine were used as probe molecules for acid sites, while CO, was used to characterize the basic sites. CO was activated at the basic amine sites forming surface carbamate species (IR peaks: 1609 and 1446 cm(-1)). The latter reacted further with epoxides adsorbed on the acid sites forming cyclic carbonates. A correlation between the intensity of the IR peak at 1609 cm(-1) and cyclic carbonate yield has been observed. The cyclic carbonate yields were higher when both the acid and base functionalities were present on the surface. The Ti- and Al-SBA-15 functionalized with adenine exhibited the highest catalytic activity and selectivity. There is an optimal dependence ({\textquoteright}{\textquoteright}
}, keywords = {aromatization, Ga-based zeolites, propane, Si/Al ratio, Si/Ga ratio, zeolitic factors}, issn = {1566-7367}, doi = { 10.1016/j.micromeso.2005.10.043}, author = {Srivastava, R. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000236477800029, title = {Size-dependent magnetic properties of nanocrystalline yttrium iron garnet powders}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {301}, number = {1}, year = {2006}, month = {JUN}, pages = {212-219}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Yttrium iron garnet (YIG) powders with particle sizes of 9, 14, 25 and 60 nm have been synthesised and their magnetic properties have been studied as a function of particle size and temperature. The particles with sizes of 9 and 14 nm exhibited superparamagnetism. The blocking temperature (T-B) decreased with decreasing particle size, whereas the anisotropy constant (K) increased. The saturation magnetisation (M-s) decreased with decreasing particle size. These variations are attributed to large surface-to-volume ratios in nanoparticles where the surface moments are predominant. (c) 2005 Published by Elsevier B.V.
}, keywords = {anisotropy constant, Magnetism, Nanoparticles, Superparamagnetism, YIG}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2005.06.027}, author = {Rajendran, M. and Deka, Sasanka and Joy, Pattayil Alias and Bhattacharya, Asish K.} } @article {24}, title = {Soft-sensor development for fed-batch bioreactors using support vector regression}, journal = {Biochemical Engineering Journal}, volume = {27}, number = {3}, year = {2006}, note = {Conference on Atomic Molecular and Optical Physics, Calcutta, INDIA, DEC 13-15, 2005}, month = {JAN}, pages = {225-239}, publisher = {Indian Assoc Cultivat Sci}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
In the present paper, a state-of-the-art machine learning based modeling formalism known as "support vector regression (SVR)", has been introduced for the soft-sensor applications in the fed-batch processes. The SVR method possesses a number of attractive properties such as a strong statistical basis, convergence to the unique global minimum and an improved generalization performance by the approximated function. Also, the structure and parameters of an SVR model can be interpreted in terms of the training data. The efficacy of the SVR formalism for the soft-sensor development task has been demonstrated by considering two simulated bio-processes namely, invertase and streptokinase. Additionally, the performance of the SVR based soft-sensors is rigorously compared with those developed using the multilayer perceptron and radial basis function neural networks. The results presented here clearly indicate that the SVR is an attractive alternative to artificial neural networks for the development of soft-sensors in bioprocesses.
}, keywords = {deprotection, Microwave, stannous chloride, tert-butyldimethylsilyl ethers}, isbn = {978-981-270-379-8}, issn = {0376-4699}, doi = {10.1016/j.bej.2005.08.002}, author = {Desai, Kiran M. and Badhe, Yogesh P. and Tambe, S. S. and Kulkarni, B. D.} } @article { ISI:000239536200026, title = {Stabilization of gamma-sterilized biomedical polyolefins by synergistic mixtures of oligomeric stabilizers}, journal = {Polymer Degradation and Stability}, volume = {91}, number = {10}, year = {2006}, month = {OCT}, pages = {2451-2464}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The stabilization of polyolefins against gamma-sterilization has been studied with single or binary additive system. The present attempt is to utilize synergistic mixtures of stabilizers which are approved for food contact applications. Ethylene-propylene (EP) copolymer has been melt-mixed with hindered amine stabilizers (HAS), phenolic antioxidants and organo-phosphites (hydroperoxide decomposer). Samples were sterilized with different doses of gamma-radiation. Stabilization was characterized in terms of changes in the functional groups (oxidation products), tensile properties, yellowing and surface morphology by FTIR spectroscopy, Instron, colorimetry (reflectance) and scanning electron microscopy (SEM), respectively. Results were discussed by comparing the stabilizing efficiency of mixtures with and without phenol system. Among phenol containing systems, where we mostly observe discoloration due to the oxidation of hindered phenol and the combination of secondary HAS, tertiary HAS, organo-phosphite and hindered phenol exhibited improved stabilization efficiency than single or binary additive systems. The mixture of secondary HAS and tertiary HAS, has shown antagonistic effect of stabilization whereas their combination with organo-phosphite has exhibited synergistic effect of stabilization even at higher doses of gamma-sterilization. The effects have been explained through the interaction between the stabilizers. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {Antioxidants, discoloration, ethylene-propylene copolymer, gamma-sterilization, stabilization, tensile properties}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2006.03.010}, author = {Alariqi, Sameh A. S. and Kumar, A. Pratheep and Rao, B. S. M. and Tevtia, Amit K. and Singh, R. P.} } @article { ISI:000242873400039, title = {Stereoselective syntheses of unnatural steroidal C(20R) aldehydes by ionic hydrogenation of C-20 tertiary alcohols}, journal = {Tetrahedron Letters}, volume = {47}, number = {52}, year = {2006}, month = {DEC}, pages = {9343-9347}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Syntheses of three unnatural steroidal C(20R) aldehydes have been realised from 16-dehydropregnenol one acetate. The salient feature of the synthesis is the ionic hydrogenation of C-20 tertiary alcohols leading to the formation of the C(20R) unnatural isomer with complete stereoselectivity. Oxidative hydrolysis of the dithiane moiety furnished the C(20R) aldehydes. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {1, 3-dithiane, ionic hydrogenation, oxidative hydrolysis, stereoselective synthesis, unnatural C-20 aldehydes}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.10.116}, author = {Shingate, Bapurao B. and Hazra, Braja G. and Pore, Vandana S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000242524100005, title = {Stereoselective synthesis of the polyketide chain of nagahamide A}, journal = {Tetrahedron-Asymmetry}, volume = {17}, number = {18}, year = {2006}, month = {OCT}, pages = {2609-2616}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A carbohydrate based approach for the enantioselective synthesis of the polyketide acid unit present in nagahamide A has been reported. Reductive ring opening of a chiral cyclopropane ketone group to enantioselectively install the methyl and propyl groups, is a salient feature of this synthesis. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2006.09.025}, author = {Mohapatra, Debendra K. and Chaudhuri, Siddhartha Ray and Sahoo, Gokarneswar and Gurjar, Mukund K.} } @article { ISI:000237440200012, title = {Structural and active site modification studies implicate Glu, Trp and Arg in the activity of xylanase from alkalophilic Bacillus sp (NCL 87-6-10)}, journal = {Enzyme and Microbial Technology}, volume = {39}, number = {1}, year = {2006}, month = {JUN}, pages = {67-73}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Structural studies and residue modification using group specific reagents were used to ascertain the role of different functional groups in xylanase from alkalophilic Bacillus sp. (NCL 87-6-10). Treatment with N-bromosuccinimide resulted in fast enzyme inactivation. Reaction with Woodward{\textquoteright}s reagent K resulted in initial fast followed by slower inactivation. In both cases enzyme was protected against inactivation by the substrate, xylan. The reaction of the enzyme with phenylglyoxal has revealed one essential arginine residue at the active site. The three-dimensional structural analysis of the xylanase at 2.8 angstrom resolution also implicates involvement of Trp, and Arg residues and carboxylate groups in the binding of substrate and in the catalysis of xylanase. (c) 2005 Published by Elsevier Inc.
}, keywords = {active-site residues, alkaline xylanase, Chemical modification, three-dimensional structure}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2005.09.010}, author = {Balakrishnan, H. and Satyanarayana, L. and Gaikwad, S. M. and Suresh, C. G.} } @article { ISI:000241414500049, title = {Structural and functional analysis of a conjugated bile salt hydrolase from Bifidobacterium longum reveals an evolutionary relationship with penicillin V acylase}, journal = {Journal of Biological Chemistry}, volume = {281}, number = {43}, year = {2006}, month = {OCT}, pages = {32516-32525}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {
Bile salt hydrolase (BSH) is an enzyme produced by the intestinal microflora that catalyzes the deconjugation of glycine- or taurine-linked bile salts. The crystal structure of BSH reported here from Bifidobacterium longum reveals that it is a member of N-terminal nucleophil hydrolase structural superfamily possessing the characteristic alpha beta beta alpha tetra-lamellar tertiary structure arrangement. Site-directed mutagenesis of the catalytic nucleophil residue, however, shows that it has no role in zymogen processing into its corresponding active form. Substrate specificity was studied using Michaelis-Menten and inhibition kinetics and fluorescence spectroscopy. These data were compared with the specificity profile of BSH from Clostridium perfrigens and pencillin V acylase from Bacillus sphaericus, for both of which the three-dimensional structures are available. Comparative analysis shows a gradation in activity toward common substrates, throwing light on a possible common route toward the evolution of pencillin V acylase and BSH.
}, issn = {0021-9258}, doi = {10.1074/jbc.M604172200}, author = {Kumar, R. Suresh and Brannigan, James A. and Prabhune, Asmita and Pundle, Archana V. and Dodson, Guy G. and Dodson, Eleanor J. and Suresh, C. G.} } @article { ISI:000234528800001, title = {Studies on shrikhand rheology}, journal = {Journal of Food Engineering}, volume = {74}, number = {2}, year = {2006}, month = {MAY}, pages = {169-177}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Shrikhand, a popular Indian dessert made from yogurt, is manufactured on an industrial scale using several chemical engineering unit operations such as mixing, filtration and heat transfer. Understanding the rheology of shrikhand is not only relevant for designing large scale mixers but can also provide quantitative means for linking the microstructure of shrikhand to its perception of texture, consistency and taste. We show here that shrikhand exhibits a combination of several rheological properties such as weak gel-like viscoelasticity, an apparent yield stress, thixotropy and long structural recovery time scales. For instance, the elastic modulus is always higher than the loss modulus over the measurable frequency range and that both moduli show only weak frequency dependence that is a characteristic of gel-like consistency. Forward and reverse rate sweep tests show a distinct hysteresis loop, which is a signature of thixotropic character. In an attempt to trace the origins of these rheological properties in shrikhand we characterized its microstructure and showed that there exist two different microstructures: one composed of crystallites of milk fats having a length scale of similar to 50-100 mu m, and the other composed of aggregates of colloidal cascin micelles of similar to 0.5-10 mu m size. Our studies show that while the temperature sensitivity of the viscoelastic parameters is dominated by the semicrystalline milk fat microstructure, the shear sensitivity is largely dictated by the protein network. (c) 2005 Elsevier Ltd. All rights reserved.
}, keywords = {Microstructure, Rheology, shrikhand}, issn = {0260-8774}, doi = {10.1016/j.jfoodeng.2005.02.029}, author = {Kulkarni, C. and Belsare, N. and Lele, Ashish K.} } @article { ISI:000238097300041, title = {Subtle crossover from C-H center dot center dot center dot O to S=O center dot center dot center dot C=O short contacts in the association of diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoformate upon format}, journal = {Crystal Growth \& Design}, volume = {6}, number = {6}, year = {2006}, month = {JUN}, pages = {1485-1492}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Diastereomers of 2,4(6)- di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoformate associate via weak interactions to form {\textquoteleft}{\textquoteleft}head-to-head{\textquoteright}{\textquoteright} dimers in their crystals. Molecular association through C-H center dot center dot center dot O short contacts do not leave any void for the guest inclusion, while association through S=O center dot center dot center dot C=O bridging produces pseudopolymorphs. Three crystalline modifications are observed for the title compound: form I, monoclinic P2(1), without any guest solvent, and solvated forms II and III, that belong to monoclinic space groups P2(1) and C2, respectively. A majority of solvates, which include pyridine, dichloromethane, benzene, tetrahydrofuran, and cyclohexanone as guests, belong to form III. All these guests have 2-fold symmetry axes ( C2) with their electron count within 40-62 electrons; guest selectivity experiments indicate that planar aromatic guests ( pyridine, benzene) bind better to the host molecules as compared to nonplanar guests ( dioxane, cyclohexanone). The molecular packing that is created thorough channels in the crystal ( avoiding interpenetration of the layers) are of interest because of their potential application in molecular separation by forming selective inclusions. The diastereomeric association via S=O center dot center dot center dot C=O dipolar short contacts, a consistent feature observed in all the solvates, is thought to have relevance in the binding of sulfonyl drugs to the C=O moieties of the receptor proteins.
}, issn = {1528-7483}, doi = {10.1021/cg060127l}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000238294800037, title = {Suppression of electron-transfer characteristics of ferrocene by OTS monolayer on a silicon/electrolyte interface}, journal = {Journal of Colloid and Interface Science}, volume = {299}, number = {2}, year = {2006}, month = {JUL}, pages = {777-784}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The passivating behavior of self-assembled monolayers (SAMs) of octadecyltrichlorosilane (OTS) on an n-type Si(100) electrode with and without a redox species like ferrocene in a polar non-aqueous medium has been investigated using techniques like contact angle measurements, Fourier transform infrared (FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS) to understand the role of the monolayer. The electron-transfer behavior of ferrocene is found to be drastically affected by the presence of monolayer and the reasons for these are analyzed as a function of the change in resistance, dielectric thickness and coverage of the monolayer. Electrochemical impedance analysis in the presence of ferrocene gives the monolayer coverage as 0.998 and the apparent rate constant calculated from this gives 4.85 x 10(-12) cm s(-1) in comparison with 4.4 x 10(-8) cm s(-1) for a similar electrode without any monolayer. A positive shift of 200 mV in the flat-band potential after monolayer formation also suggests the covalent coupling of the silane nionolayer offering a protective barrier. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {cyclic voltammetry, ferrocene, impedance analysis, octadecyltrichlorosilane (OTS), rate constant, self-assembled monolayer (SAM)}, issn = {0021-9797}, doi = {10.1016/j.jcis.2006.03.013}, author = {Kulkarni, S. A. and Kakade, Bhalchandra A. and Mulla, Imtiaz S. and Pillai, V. K.} } @article {31}, title = {Supramolecular self-assembled ruthenium-polypyridyl framework encapsulating discrete water cluster}, journal = {Crystal Growth \& Design}, volume = {6}, number = {3}, year = {2006}, month = {MAR}, pages = {743-748}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, keywords = {4, 4 {\textquoteleft}-dimethoxydiphenylmethane, benzylsulfonic acid, Condensation of anisole, p-formaldehyde, Zr-TMS-BSA}, issn = {1381-1169}, author = {Deshpande, Megha S. and Kumbhar, A. S. and Puranik, Vedavati G. and Selvaraj, K.} } @conference { ISI:000238125903326, title = {Surface characterization of diblock copolymers containing poly(ethylene oxide) and various hydrophobic moieties}, booktitle = {231st National Meeting of the American-Chemical-Society}, volume = {231}, year = {2006}, note = {231st National Meeting of the American-Chemical-Society, Atlanta, GA, MAR 26-30, 2006}, month = {MAR}, pages = {326-COLL}, publisher = {American-Chemical-Society}, organization = {American-Chemical-Society}, type = {Meeting Abstract}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, issn = {0065-7727}, author = {Logan, Jennifer and Marcano, Kyle and Palaskar, Dnyaneshwar and Wadgaonkar, Prakash and Jost, Robert W. and Wudl, Fred and Baker, Shenda M.} } @article { ISI:000239445500108, title = {Surface modification of polyacrylonitrile based ultrafiltration membrane}, journal = {Journal of Applied Polymer Science}, volume = {101}, number = {6}, year = {2006}, month = {SEP}, pages = {4378-4385}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Ultrafiltration membrane based on polyacrylonitrile prepared by phase inversion method using zinc chloride as an additive showed more than 90\% rejection for BSA and 90-110 Im(-2) h(-1) water flux. The surface modification of this membrane was studied using ethanolamine, triethylamine, sodium hydroxide, and potassium hydroxide solutions. The effect of base treatment time and temperature on water flux and rejection was investigated. The membranes exhibited swelling by NaOH treatment followed by deswelling by HCl post-treatment, similar to pH responsive membranes. The treatment by organic as well as inorganic bases improved water flux with a slight lowering in BSA rejection by dead-end mode type treatment. A 230\% increase in water flux was achieved by sodium hydroxide treatment in crossflow mode without a noticeable pore swelling by SEM. The contact angle of the modified membranes was decreased as compared to the unmodified one indicating appreciable surface modification. As the treatment time or temperature increased, the ESCA analysis showed increased population of Na-carboxylate groups. (c) 2006 Wiley Periodicals, Inc.
}, keywords = {BSA rejection, chemical treatment, polyacrylonitrile membrane, surface modification, Ultrafiltration}, issn = {0021-8995}, doi = {10.1002/app.23917}, author = {Lohokare, Harshada R. and Kumbharkar, S. C. and Bhole, Yogesh S. and Kharul, Ulhas K.} } @article {42759, title = {Suzuki cross-coupling reactions catalyzed by palladium complex of an inexpensive phosphinite, 2-diphenylphosphinoxynaphthyl}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {259}, year = {2006}, month = {NOV}, pages = {78{\textendash}83}, type = {Article}, abstract = {
A facile and less expensive monophosphinite ligand 2-(diphenylphosphinoxy)-naphthyl, C10H7OPPh2 (1) has been synthesized from the reaction of β-naphthol with chlorodiphenylphosphine. The mixture of Pd(OAc)2 and 1 catalyzes the Suzuki cross-coupling of a variety of aryl halides with aryl boronic acids at room temperature or at 60 {\textdegree}C, giving generally high yields even under low catalytic loads. The effect of solvent, base and catalyst loading on the coupling reaction of aryl halide with arylboronic acid is also described.
}, doi = {10.1016/j.molcata.2006.05.067}, author = {Punji, Benudhar and Ganesamoorthy, Chelladurai and Balakrishna, Maravanji S.} } @article { ISI:000240242300001, title = {Syntheses and applications of C-2-symmetric chiral diols}, journal = {Tetrahedron-Asymmetry}, volume = {17}, number = {13}, year = {2006}, month = {AUG}, pages = {1901-1929}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Synthetic procedures for a large variety of C-2-symmetric chiral diols are reviewed. Prominent among these procedures are enantioselective reductions, epoxide-cleavages, dihydroxylation of olefins, and synthetic transformations. Applications of these diols as chiral auxiliaries/ligands for several important reactions are also highlighted. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2006.06.023}, author = {Bhowmick, Kartick C. and Joshi, Navalkishore N.} } @article { ISI:000238111400026, title = {Syntheses of polycarbonate and polyurethane precursors utilizing CO2 over highly efficient, solid as-synthesized MCM-41 catalyst}, journal = {Tetrahedron Letters}, volume = {47}, number = {25}, year = {2006}, month = {JUN}, pages = {4213-4217}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
As-synthesized MCM-41 was used as a reusable, heterogeneous catalyst for the eco-friendly synthesis of cyclic carbonate precursors of polycarbonates via a cycloaddition reaction of CO2 with epoxides. This catalyst is also efficient for the synthesis of alkyl and aryl carbamate precursors of polyurethanes via the reaction of amines, CO2 and alkyl halides. Both these reactions were carried out under mild conditions and without using any solvent or co-catalyst. CO2 is utilized as a raw material replacement for toxic phosgene in the conventional synthesis of these chemicals. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {carbamates, carbon dioxide utilization, CO2 fixation, cyclic carbonates, eco-friendly processes, MCM-41, polycarbonates, polyurethanes}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.04.057}, author = {Srivastava, R. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000239739400012, title = {Synthesis and characterization of AlPO4-5RT molecular sieve at room temperature}, journal = {Journal of the Indian Chemical Society}, volume = {83}, number = {7}, year = {2006}, month = {JUL}, pages = {697-701}, publisher = {INDIAN CHEMICAL SOC}, type = {Article}, address = {92 ACHARYA PRAFULLA CHANDRA RD ATTN:DR INDRAJIT KAR/EXEC SEC, CALCUTTA 700009, INDIA}, abstract = {
Aluminophosphate molecular sieve AlPO4-5RT (AlPO4-5, prepared at room temperature) have been synthesized using hexamethyleneimine template at room temperature for the first time. Gel composition Al2O3 : P2O5 : 1.16HEM : 45H(2)O aging for 12 h at room temperature, and in 24 h, 473 K are the standard reaction conditions for synthesis of AlPO4-5. Studies on above gel composition at room temperature shows the presence of AlPO4-5 crystals. Both the aluminophosphates have been characterized by elemental analysis, XRD, SEM, FT-IR, TG/DTA, and C-13, Al-27 and P-31 MASNMR techniques. XRD analysis of AlPO4-5RT shows that the presence of low intensed pseudobochmite sample. SEM shows the morphology nanosized crystals along with platelets. TG/DTA analysis reveals the presence of maximum five stages elimination of templates. Carbon and nitrogen analysis shows that the presence of four template molecules per unitcell. C-13 MASNMR analysis shows the interaction of template with structure of the framework. Al-27 MASNMR shows the presence of small amount of octahedral co-ordination besides the rest are in tetrahedral co-ordination. P-31 MASNMR shows the presence of two environmentally different tetrahedrally co-ordinated phosphorous atoms.
}, keywords = {Aluminophosphate, Molecular sieve}, issn = {0019-4522}, author = {Venkatathri, N.} } @article { ISI:000236423600081, title = {Synthesis and characterization of aromatic copolyesters containing siloxane linkages in the polymer backbone}, journal = {Journal of Applied Polymer Science}, volume = {100}, number = {4}, year = {2006}, month = {MAY}, pages = {3222-3228}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
A new series of aromatic copolyesters containing siloxane linkages were prepared by the melt polymerization of bisphenol A (BPA) with eugenol end-capped siloxane (EuSi), diphenyl terephthalate (DPT), and diphenyl isoplithalate (DPI) in varying ratio in the temperature range 220-290 degrees C under reduced pressure in the presence of dibutyl tin dilaurate (DBTL) catalyst. The siloxane copolyesters prepared were characterized by FTIR, H-1-NMR spectroscopy, solution viscosity, thermogravimetric analysis, differential scanning calorimetry, and X-ray diffraction. The effect of incorporation of eugenol end-capped siloxane was studied on the properties of BPA/DPI/DPT copolyesters. The glass-transition temperature of copolyester was decreased from 184 to 70 degrees C by incorporation of 20\% of eugenol endcapped siloxane. All copolyesters were found to be soluble in commonly used aprotic polar solvents and had film-forming properties. (c) 2006 Wiley Periodicals, Inc.
}, keywords = {aromatic copolyesters, Bisphenol A, diphenyl isophthalate, diphenyl terephthalate, eugenol end-capped siloxane, melt polymerization}, issn = {0021-8995}, doi = {10.1002/app.22266}, author = {Waghmare, P. B. and Idage, Susheela B. and Menon, Shamal K. and Idage, Bhaskar B.} } @article { ISI:000242468700074, title = {Synthesis and characterization of cholesteric thermotropic liquid crystalline polyesters}, journal = {Journal of Applied Polymer Science}, volume = {103}, number = {2}, year = {2006}, month = {JAN}, pages = {1232-1237}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Cholesteric liquid crystalline polyesters were successfully synthesized from isosorbide, methyl hydroquinone, and isophthaloyl chloride. Homo/copolyesters were synthesized by the solution polycondensation method, for which a mild organic base such as pyridine was employed. Inherent viscosities of polyesters P-3-P-5 were in the range of 0.31-0.39 dL/g at 25 degrees C in chloroform, and polyesters P-1 and P-2 were insoluble in chloroform. Homo/copolyesters based on isosorbide, methyl hydroquinone, and isophthalic acid had thermal stability at more than 300 degrees C on the basis of 10\% weight loss. The thermotropic liquid crystalline properties were examined by differential scanning calorimetry and polarizing optical microscopy. Wide-angle X-ray diffraction study demonstrated that polyesters P-1, P-2, and P-3 were semicrystalline, whereas the degree of crystallinity of polyesters P-4 and P-5 was less than 5\%. Copolyester P-4 showed formation of a yellow iridescent streak at 209 degrees C on heating and development of a Grand-jean texture at 270 degrees C on heating. These are typical textures of the cholesteric liquid crystalline phase. (c) 2006 Wiley Periodicals, Inc.
}, keywords = {cholesteric liquid crystalline polymers (ChLCP), Differential scanning calorimetry (DSC), optical microscopy, solution polycondensation, Thermogravimetric analysis (TGA), viscosity}, issn = {0021-8995}, doi = {10.1002/app.24610}, author = {Jadhav, Sushilkumar A. and Chougule, Rahul R. and Shinde, Yogesh A. and Chavan, Nayaku} } @article { ISI:000237680000010, title = {Synthesis and characterization of copolyarylates using tin octoate as a catalyst}, journal = {Journal of Applied Polymer Science}, volume = {101}, number = {1}, year = {2006}, month = {JUL}, pages = {70-77}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
A series of copolyarylates of bisphenol A (BPA) with varying ratios of diphenyl terephthalate (DPT) and diphenyl isophthalate (DPI) were prepared by melt polymerization at a temperature ranging from 200 to 290 degrees C under reduced pressure in the presence of tin octoate catalyst. Tin octoate catalyst has been extensively used for the preparation of biodegradable polymers namely, poly(lactic acid), poly(glycolic acid), and poly(lactide-glycolide) copolyesters. However, there are no reports on the preparation of copolyesters by melt polymerization using tin octoate catalyst. The effect of tin octoate catalyst was studied on the preparation of BPA/DPT/DPI copolyarylates. The copolyarylates were characterized by infrared and H-1 NMR spectroscopy, solution viscosity, thermogravimetric analysis, differential scanning calorimetry, and X-ray diffraction. The solution viscosities of copolyarylates were varied from 0.43 to 0.56 dL/g and the glass transition temperature (T-g) of copolyarylates was varied from 155 to 222 degrees C by varying the ratio of DPT and DPI. Most of the copolyarylates were found to be soluble in commonly used organic solvents and had film-forming properties. (c) 2006 Wiley Periodicals, Inc.
}, keywords = {copolyarylates, diphenyl isophthalate, diphenyl terephthalate, melt polymerization, tin octoate}, issn = {0021-8995}, doi = {10.1002/app.22953}, author = {Waghmare, P. B. and Pathak, P. and Deshmukh, S. A. and Idage, Susheela B. and Idage, Bhaskar B.} } @article { ISI:000242818000001, title = {Synthesis and characterization of corrosion protective poly(2,5-dimethylaniline) coatings on copper}, journal = {Applied Surface Science}, volume = {253}, number = {3}, year = {2006}, month = {NOV}, pages = {1037-1045}, publisher = {ELSEVIER SCIENCE BV}, type = {Review}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Poly(2,5-dimethylaniline) coatings were synthesized on copper (Cu) by electrochemical polymerization of 2,5-dimethylaniline in aqueous salicylate solution by using cyclic voltammetry. The characterization of these coatings was carried out by cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared (FTIR) spectroscopy and scanning electron microscopy (SEM). The results of these characterizations indicate that the aqueous salicylate solution is a suitable medium for the electrochemical polymerization of 2,5-dimethylaniline to generate strongly adherent and smooth poly (2,5-dimethylaniline) coatings on Cu substrates. The performance of poly(2,5-dimethylaniline) as protective coating against corrosion of Cu in aqueous 3\% NaCl was assessed by the potentiodynamic polarization technique. The results of the potentiodynamic polarization demonstrate that the poly(2,5-dimethylaniline) coating has ability to protect the Cu against corrosion. The corrosion potential was about 0.078 V versus SCE more positive in aqueous 3\% NaCl for the poly(2,5-dimethylaniline) coated Cu than that of uncoated Cu and reduces the corrosion rate of Cu almost by a factor of 31. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {5-dimethylaniline) coatings, conducting polymers, Copper, Corrosion resistant coatings, cyclic voltammetry, Electrochemical polymerization, Poly(2}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2006.02.007}, author = {Shinde, Vandana and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000241320000007, title = {Synthesis and characterization of high silica content silicoaluminophosphate SAPO-35 from non-aqueous medium}, journal = {Catalysis Communications}, volume = {7}, number = {10}, year = {2006}, month = {OCT}, pages = {773-777}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
SAPO-35 with up to 15.6 Si atoms per unit cell have been synthesized, using hexamethyleneimine as template in ethylene glycol medium (molar ratio of silica in the reaction gets up to 2.5). Crystallinity and silicon incorporation was confirmed by XRD, XRF, TG/DTA, SEM, FT-IR and Al-27 and Si-29 MASNMR. These SAPO-35 materials with high Si concentration show higher activity for methanol to olefin reaction than samples prepared with up to 0.3 molar ratio of silica in the get. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {ammonia adsorption, FT-IR, MASNMR, methanol to olefin, non-aqueous medium, SAPO-35, SEM, TG/DTA, XRD}, issn = {1566-7367}, doi = {10.1016/j.catcom.2005.10.014}, author = {Venkatathri, N.} } @article { ISI:000241686000001, title = {Synthesis and characterization of main chain thermotropic liquid crystalline polyesters based on methyl 4-[4 {\textquoteleft}-(omega-hydroxyalkoxy)blphenyl-4-yl]-4-oxobutyrate: Effects of keto group and connectivity on mesophasic characteristics of biphenyl based AB-typ}, journal = {Reactive \& Functional Polymers}, volume = {66}, number = {10}, year = {2006}, month = {OCT}, pages = {1003-1013}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A series of biphenyl based main chain thermotropic liquid crystalline polyesters, poly(hydroxyalkoxybiphenyl oxobutyrate) [PRBOB-2,n (n = 2-8)], containing various methylene spacers was synthesized by using the novel AB-type self-polycondensation route from the monomers, methyl 4-[4{\textquoteright}-(omega-hydroxyalkoxy)biphenyl-4-yl]-4-oxobutyrate (HBOB-2,n). The mesophase characteristics of these polyesters was studied using DSC, polarized light optical microscopy and XRD techniques. The transition temperatures were found to decrease upon increasing the spacer length with an even polymer exhibiting higher transition temperature than the odd counterpart. The mesophase type also indicated an odd-even oscillation with the even members showing normal smectic phase and odd members exhibiting tilted smectic phase. The comparison of mesophasic characteristics of these polyesters with that of structurally similar AB-type polyesters indicated that the total number of atoms connecting the mesogen in a polymeric repeat unit governs the nature of the mesophase while the rigidity of the system dictates the magnitude of transition temperatures. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {AB approach, biphenyl mesogen, effect of connectivity, Liquid crystalline polyesters}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2006.01.019}, author = {Ranganathan, T. and Ramesh, C.} } @article { ISI:000240085700003, title = {Synthesis and characterization of novel hydrophobically end-capped poly(ethylene oxide)s [PEOs]}, journal = {Macromolecular Symposia}, volume = {241}, year = {2006}, note = {Indo-French Symposium on Fibrillar Networks as Advanced Materials, Inst Charles Sadron, Strasbourg, FRANCE, SEP 21-23, 2005}, month = {JUL}, pages = {9-13}, publisher = {Indo-French Ctr Promot Adv Res; Indian Assoc Cultivat Sci; Kolkata; GUENET; CNRS}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
We report on the synthesis and characterization of a novel hydrophobically modified end-capped poly(ethylene oxide)s. The end-capping agent of this polymer was designed and synthesised from a renewable resource material namely, gallic acid (i.e. 3,4,5-trihydroxybenzoic acid), the byproduct of tannin industry. The hydroxyl groups at 3, 4 and 5 positions of gallic acid provide an opportunity for varying the hydrophobicity of the compound. The hydrophobic end-capping compound, 3,4,5tridodecyloxy bezoylazide was prepared from gallic acid and PEGS with different chain lengths (of number average molecular weights, 10000 and 35000 g/mol) were endcapped. using 3,4,5-tridodecyloxybenzoyl azide. The quantitative analysis of end-capping in the polymers was demonstrated by H-1-NMR spectroscopy and the rheological studies were carried out in the surfactant solutions.
}, keywords = {end-capped PEOs, hydrophobically modified polymers, water-soluble polymers}, issn = {1022-1360}, doi = {10.1002/masy.200650902}, author = {Badiger, Manohar V. and Kadam, Vijay S. and Lele, Ashish K. and Wadgaonkar, P. P. and Hourdet, Dominique} } @article { ISI:000238709700070, title = {Synthesis and characterization of siloxane copolyesters containing phenylindane linkages}, journal = {Journal of Applied Polymer Science}, volume = {101}, number = {4}, year = {2006}, month = {AUG}, pages = {2668-2674}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
A novel series of siloxane copolyesters containing 1,1,3-trimethyl-3-(p-hydroxyphenyl)-5-indanol (phenylindane bisphenol), diphenyl terephthalate (DPT), diphenyl isophthalate (DPI), and eugenol end-capped siloxanes in varying ratios were prepared at a temperature range of 200-290 degrees C under reduced pressure using dibutyl tin dilaurate catalyst by melt polycondensation. The siloxane-containing copolyesters were characterized by infrared and H-1 NMR spectroscopy, elemental analysis, solution viscosity, thermogravimetric analysis, differential scanning calorimetry, and X-ray diffraction. The effect of incorporation of siloxane moiety was studied on the properties of phenyl indane/DPT/DPI coplyester. The glass transition temperatures of copolyesters were decreased from 235 to 124 degrees C by incorporation of 10\% eugenol end-capped siloxane without affecting the thermal properties. All copolyesters were found to be soluble in commonly used organic solvents and had film forming properties. (c) 2006 Wiley Periodicals, Inc.
}, keywords = {eugenol end capped siloxane, melt polymerization, phenylindane bisphenol, siloxane copolyesters}, issn = {0021-8995}, doi = {10.1002/app.23910}, author = {Waghmare, P. B. and Deshmukh, S. A. and Idage, Susheela B. and Idage, Bhaskar B.} } @article { ISI:000242793800020, title = {Synthesis and characterization of TAPO-31 molecular sieves using tripropylamine template}, journal = {Catalysis Communications}, volume = {7}, number = {12}, year = {2006}, month = {DEC}, pages = {1015-1021}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
TAPO-31 was synthesized hydrothermally using a novel template tri-n-propylamine for the first time. C and N analysis shows the butanol from titanium tetrabutoxide plays an important role in the synthesis. The incorporation of titanium into framework of phosphorous and both aluminiurn and phosphorous sites was suggested from elemental analysis. Isomorphous substitution of titanium (III) in AlPO framework was confirmed from ESR and (31)p MASNMR spectra. UV-Vis and XPS spectra revealed a partial oxidation of framework titanium (III) into titanium (IV) in the calcined TAPO-31 and thus the presence of redox centers in the products. The higher titanium content (Al/Ti = 10) TAPO-31 sample shows higher activity for phenol hydroxylation compared to lower titanium content (Al/Ti = 20) and Titanium impregnated AIPO(4)-31. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {ESR, FT-IR, MASNMR, SEM, TAPO-31, TG/DTA, tripropylamine, UV-Vis, XPS, XRD}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.05.010}, author = {Venkatathri, N. and Shetty, V. N.} } @article {42732, title = {Synthesis and utility of new amine/nucleobase addition products of allenylphosphonates}, journal = {Tetrahedron}, volume = {62}, year = {2006}, month = {SEP}, pages = {10152{\textendash}10161}, type = {Article}, abstract = {
In the reaction of allenylphosphonates with amines/nucleobases, depending on the amine and the allenylphosphonate, either Z- or E-vinylphosphonate or allylphosphonate as a single isomer with a β-amino functionality was isolated. A simple route to phosphonates with a β-NH2 group is developed by direct reaction with ammonia. In reactions with adenine, three different modes of reaction, with one of them involving an unusual cyclisation, are observed. The utility of (enamino)allyl phosphonate products thus obtained in the synthesis of (enamino)-1,3-butadienes via Horner{\textendash}Wadsworth{\textendash}Emmons (HWE) reaction is also demonstrated.
}, doi = {10.1016/j.tet.2006.08.034}, author = {Swamy, K. C. Kumara and Balaraman, Ekambaram and Kumar, N. Satish} } @article { ISI:000239869200004, title = {Synthesis, characterization and catalytic properties of vanadium aluminophosphate molecular sieves VAPO-31 and VAPSO-Amr from non-aqueous media}, journal = {Applied Catalysis A-General}, volume = {310}, year = {2006}, month = {AUG}, pages = {31-39}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Vanadium samples containing aluminophosphate molecular sieve (VAPO-31) and amorphous vanadium silicoaluminophosphate (VAPSO-Amr) have been synthesized using hexamethyleneimine template from non-aqueous media for the first time. XRD and SEM analyses confirm the phase purity of the synthesized samples. FT-IR analysis suggests the incorporation of V4+ in the aluminophosphate framework. ESR, UV-vis spectroscopic, and XPS techniques and cyclicvoltametric studies confirm the incorporation of vanadium and reveal its presence in tetrahedral and square pyramidal environments in the as-synthesized samples. Cyclic voltammetry reveals the presence of two redox couples in VAPO-31. This catalyst is found to be a good oxidation catalyst. Although most of the properties of VAPO-31NA and VAPSO-Amr are similar, the latter can access more vanadium and V4+ ions. Compared to aqueous media samples, it can incorporate more vanadium especially V5+, ions and has been found to be better oxidation catalyst. The physicochemical properties also change with media. (C) 2006 Elsevier B.V. All rights reserved.
}, keywords = {cyclic voltammetry, ESR, FT-IR, MAS NMR, non-aqueous, SEM, TG/DTA, UV-Vis, VAPO-31, XPS, XRD}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.05.001}, author = {Venkatathri, N.} } @article { ISI:000241085200021, title = {Synthesis, characterization, and molecular modeling studies of novel polyurethanes based on 2,2 {\textquoteright}-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenol and 2,2 {\textquoteright}-[hexane-1,6-diylbis(nitrilomethylylidene)]diphenol hard segments}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {44}, number = {20}, year = {2006}, month = {OCT}, pages = {6032-6046}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Novel polyurethanes (PUS) based on 2,2 {\textquoteleft}-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenol and 2,2 {\textquoteleft}-[hexane-1,6-diylbis(nitrilomethylylidene)]diphenol as hard segments containing four aromatic diisocyanates (4,4 {\textquoteleft}-diphenylmethane diisocyanate, toluene 2,4-diisocyanate, isophorone diisocyanate, and hexamethylene diisocyanate) have been prepared. Fourier transform infrared, UV spectrophotometry, fluorescence spectroscopy, H-1 NMR and C-13 NMR spectroscopy, thermogravimetric analysis, and differential thermal analysis have been used to determine the structural characterization and thermal properties of the segmented PUS. All the PUS contain domains of both semicrystalline and amorphous structures, as indicated by X-ray diffraction. The acoustic properties have been calculated with the group contribution method. Molecular dynamics simulations have been performed on all the PUS to estimate the cohesive energy density and solubility parameter values, which compare well with the values calculated with the group contribution method. Furthermore, the simulation protocols have been applied to the PUS to produce X-ray diffraction plots to determine the phase morphology of the PUS. The surface properties of the PUS have been estimated from the simulation protocols. (c) 2006 Wiley Periodicals, Inc.
}, keywords = {amorphous, hard segments, molecular dynamics, Morphology, polyurethanes, Schiff base containing polymers, Thermal properties}, issn = {0887-624X}, doi = {10.1002/pola.21686}, author = {Raghu, A. V. and Gadaginamath, G. S. and Jawalkar, S. S. and Halligudi, Shivaraj B. and Aminabhavi, T. A.} } @article { ISI:000239340200010, title = {Synthesis, characterization and optical properties of silver and gold nanowires embedded in mesoporous MCM-41}, journal = {Central European Journal of Chemistry}, volume = {4}, number = {2}, year = {2006}, month = {JUN}, pages = {317-328}, publisher = {SPRINGER HEIDELBERG}, type = {Article}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
Uniform nanowires of silver and gold inside the channels of MCM-41 were prepared by controlled reduction of their respective metal salts with sodium borohydride (NaBH4). Presence of nanowires of silver and gold in MCM-41 were confirmed by high angle X-ray diffraction (XRD) data (peaks between 2 theta = 30 - 60 degrees) and transmission electron microscopy (TEM) confirmed the diameter of the nanowires. Diameter of nanowires is found to be similar to 2.8 nm which is coincident with channel diameter of MCM-41. Optical properties of these heterostructured materials Ag-MCM-41 and Au-MCM-41 reveals the presence of surface plasmon absorption peaks of silver and gold respectively, and the shift in the absorption bands are associated to agglomeration of clusters inside the channels. Room temperature photoluminescence spectra exhibits interesting optical properties as observed for direct band gap semiconductors. Non-linear optical properties (NLO) corresponding to second harmonic generation (SHG) values were also recorded for self supported films of these heterostructured materials. Enhanced optical non-linearity was found to be arising from a corresponding increase of local field near the surface plasmon resonance. Further enhancement in SHG was found with poling due to an induction of orientation order. (C) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.
}, keywords = {Ag/Au nanowires, MCM-41, photoluminescence, SHG, TEM}, issn = {1895-1066}, doi = {10.2478/s11532-006-0006-4}, author = {Adhyapak, Parag V. and Karandikar, Prashant R. and Dadge, Jagdish W. and Aiyer, Rohini C. and Chandwadkar, Asha J.} } @article {Bender, title = {Synthesis, characterization, X-ray structure and DNA photocleavage by cis-dichloro bis(diimine) Co(III) complexes}, journal = {Journal of Inorganic Biochemistry}, volume = {100}, number = {3}, year = {2006}, month = {MAR}, pages = {331-343}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, keywords = {Acetic acid, acrylic acid, oxidative conversion of propane, rare earth-doped Mo-V-Sb catalysts}, issn = {0268-2575}, doi = {10.1016/j.jinorgbio.2005.11.022}, author = {Ghosh, Smita and Barve, A. C. and Kumbhar, A. A. and Kumbhar, A. S. and Puranik, Vedavati G. and Datar, P. A. and Sonawane, U. B. and Joshi, Rohini R.} } @article { ISI:000236814800021, title = {Synthesis of 4-aminomethyl-tetrahydrofuran-2-carboxylates with 2,4-cis and 2,4-trans relationships}, journal = {Tetrahedron}, volume = {62}, number = {17}, year = {2006}, month = {APR}, pages = {4110-4119}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Templated tetrahydrofuran-based gamma-azido esters were prepared with the C-2 and C-4 functionalities in cis and trans relative configurations. This was achieved by ring contraction of the suitably protected 2-O-triflates of pentono-1,5-lactones (D-ribose and L-arabinose) with subsequent introduction of the azide via the 4-O-triflate. Access to a corresponding beta-azido ester was achieved in good yield. Little elimination product was observed by introduction of the azide via the 3-O-triflate. These azido esters are scaffolds. which may be predisposed to adopt secondary structural motifs, for example. for use as peptidomimetics; they may also be utilised for the preparation of stereodiverse compound libraries. (c) 2006 Elsevier Ltd All rights reserved.
}, keywords = {gamma amino acids, Peptidomimetics, scaffolds, sugar amino acids}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.02.007}, author = {Edwards, Alison A. and Sanjayan, Gangadhar J. and Hachisu, Shuji and Soengas, Raquel and Stewart, Alistair and Tranter, George E. and Fleet, George W. J.} } @article { ISI:000242204500017, title = {Synthesis of annularly functionalised BINOL-based chiral cyclophanes}, journal = {Journal of Chemical Research-S}, number = {10}, year = {2006}, month = {OCT}, pages = {671-674}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {
Chiral cyclophanes with annular functionality were synthesised by coupling carbonyl dibromides with (S)-BINOL. Semi-empirical calculations by MOPAC (PM3) were also performed on the cyclophanes prepared to view their cavity sizes.
}, keywords = {annular functionality, chiral cyclophanes}, issn = {0308-2342}, author = {Srisailas, Muthialu and Rajakumar, Perurnal} } @article {42691, title = {Synthesis of azobenzenophanes with a large molecular cavity}, journal = {Australian Journal of Chemistry}, volume = {59}, year = {2006}, month = {JAN}, pages = {75-77}, type = {Article}, abstract = {
The design and synthesis of four large-cavity azobenzenophanes, capable of forming photochemically controllable complexes with organic guest molecules, are described. These azobenzenophanes, possessing m-terphenyl, aromatic carbonyl, and chiral BINOL spacers, were synthesized from the corresponding bisphenols and dibromides using simple O-alkylation methodology. A preliminary photochemical study was carried out on the aromatic carbonyl spacer containing azobenzenophane, and the isosbestic points for the cis{\textendash}trans isomerization process appeared at 319 and 419 nm.
}, doi = {10.1071/CH05254}, author = {Rajakumar, Perumal and Senthilkumar, B. and Srinivasan, Kannupal} } @article { ISI:000238050700006, title = {Synthesis of beta-Ag2Se from organo-selenium precursor and silver nitrate in DMF via simultaneous reduction of selenium and silver salt}, journal = {Materials Letters}, volume = {60}, number = {17-18}, year = {2006}, month = {AUG}, pages = {2080-2085}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Reaction of selenium powder and silver nitrate in aqueous N,N{\textquoteright}-dimethylformamide (aq. DMF) leads to formation of silver selenide. Similar reaction with cycloalkeno-1,2,3-selenadiazole an organic compound of selenium upon thermolysis, also produces silver selenide. It is believed that DMF activates selenium and reduces silver salt via in-situ generated hydrogen ion simultaneously. Slightly broadened X-ray diffraction pattern for pure beta silver selenide (beta-Ag2Se) was observed. Scanning electron microscopy (SEM) indicated that the agglomerated particles could be in the range of about 100 to 200 nm in dimension. EDAX analysis showed non-stoichiometric elemental ratio between silver and selenium. It is found that the weight percent of Ag is slightly higher than Se. However, free amorphous selenium is also detected by XPS analysis when the product is made by use of elemental selenium. Thermal analysis (TGA) revealed a small (4\%) weight loss due to the presence of organics or the solvent from the reaction medium. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {Chemical synthesis, nano powder, noble metal chalcogenides, Semiconductor}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.12.079}, author = {Khanna, P. K. and Singh, N. and Charan, Shobhit and Patil, K. R.} } @article { ISI:000238142900019, title = {Synthesis of beta-amino alcohols from aromatic amines and alkylene carbonates using Na-Y zeolite catalyst}, journal = {Synlett}, number = {9}, year = {2006}, month = {JUN}, pages = {1374-1378}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A simple, efficient, and environmentally benign methodology for the synthesis of beta-amino alcohols from aromatic amines and alkylene carbonates in the presence of the highly active and reusable solid base catalyst Na-Y zeolite is demonstrated.
}, keywords = {Alkylation, alkylene carbonate, Amine, Amino alcohols, zeolite}, issn = {0936-5214}, doi = {10.1055/s-2006-939697}, author = {Shivarkar, Anandkumar B. and Gupte, Sunil P. and Chaudhari, Raghunath V.} } @article { ISI:000242958500011, title = {Synthesis of cadmium selenide thin films at low-temperature by simple chemical route and their characterization}, journal = {Journal of Physics and Chemistry of Solids}, volume = {67}, number = {12}, year = {2006}, month = {DEC}, pages = {2506-2511}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Crystalline CdSe thin film has been deposited using appropriate precursor solution containing cadmium sulfate octahydrate, tartaric acid, potassium hydroxide, ammonia and sodium selenosulfate. The effect of parameters such as bath composition, deposition temperature, pH of the solution, speed of the rotation and the specificity of complexing agent on growth process is studied. The {\textquoteleft}as-deposited{\textquoteright} CdSe thin film was found to be red in color, specularly reflective and well adherent to the glass substrate. The crystalline phase of the deposited sample was hexagonal wurtzite-type. The analysis of optical absorption data shows energy band gap energy (E-g) 2.01 eV. The morphological study and compositional analysis of film sample have been discussed. The electrical resistivity of CdSe thin film was found to the order of 10(6) Omega cm. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {XRD}, issn = {0022-3697}, doi = {10.1016/j.jpes.2006.07.006}, author = {Hankare, P. P. and Delekar, S. D. and Asabe, M. R. and Chate, P. A. and Bhuse, V. M. and Khomane, A. S. and Garadkar, K. M. and Sarwade, B. D.} } @article { ISI:000237856400014, title = {Synthesis of corrosion inhibitive poly(2,5-dimethylaniline) coatings on low carbon steel}, journal = {Journal of Materials Science}, volume = {41}, number = {10}, year = {2006}, month = {MAY}, pages = {2851-2858}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
An attempt has been made towards the synthesis of strongly adherent poly(2,5-dimethylaniline) coatings on low carbon steel substrates, with an objective of examining the possibility of using this polymer for corrosion protection of steel in chloride environment. In this work, the poly(2,5-dimethylaniline) coatings were synthesized by electrochemical polymerization of 2,5-dimethylaniline using sodium salicylate as a supporting electrolyte. The characterization of these coatings was carried out by cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy and scanning electron microscopy. The results of these characterizations indicate that the aqueous salicylate solution is a suitable medium for the electrochemical polymerization of 2,5-dimethylaniline to generate strongly adherent and smooth poly(2,5-dimethylaniline) coatings on low carbon steel substrates. The performance of poly(2,5-dimethylaniline) as protective coating against corrosion of low carbon steel in aqueous 3\% NaCl was assessed by the open circuit potential and the potentiodynamic polarization measurements. The potentiodynamic polarization measurement reveals that the poly(2,5-dimethylaniline) coating increases the corrosion potential and reduces the corrosion rate of low carbon steel almost by a factor of 50. This study clearly ascertains that the poly(2,5-dimethylaniline) has outstanding capability to protect low carbon steel against corrosion in chloride environment. (c) 2006 Springer Science + Business Media, Inc.
}, issn = {0022-2461}, doi = {10.1007/s10853-006-2375-7}, author = {Shinde, V. and Sainkar, S. R. and Gangal, S. A. and Patil, P. P.} } @article {43213, title = {Synthesis of cyclic peptides using a palladium-catalyzed enyne cycloisomerization}, journal = {Tetrahedron Letters}, volume = {47}, year = {2006}, month = {MAY}, pages = {3569-3571}, abstract = {In this letter, we report a palladium-catalyzed enyne cycloisomerization of linear peptides to generate small cyclic peptides embedded with a conjugated 1,3-diene. The utility of these resulting macrocyclic dienes is demonstrated by carrying out [4+2] cycloadditions with dienophiles to generate constrained cyclic peptides with cyclic linkers. (c) 2006 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2006.03.053}, author = {Balraju, V. and Dev, R. Vasu and Reddy, D. Srinivasa and Iqbal, Javed} } @article { ISI:000239739400010, title = {Synthesis of high alumina ZSM-5 molecular sieve with ethylene diamine as template}, journal = {Journal of the Indian Chemical Society}, volume = {83}, number = {7}, year = {2006}, month = {JUL}, pages = {686-691}, publisher = {INDIAN CHEMICAL SOC}, type = {Article}, address = {92 ACHARYA PRAFULLA CHANDRA RD ATTN:DR INDRAJIT KAR/EXEC SEC, CALCUTTA 700009, INDIA}, abstract = {
Attempts were made to investigate compositional constraints in the synthesis of pentasill molecular sieves, including aluminosilicate zeolites using ethylene diamine (C2DN) template, from the gel composition 1.85Na(2)O : aAl(2)O(3) : 15.2SiO(2) : 592H(2)O : 19.7C(2)DN in the temperature 177 degrees C for ten days. When a = 0.25 the product was ZSM-5 and then a = 1 the product was ZSM-35 and in between compositions the mixture of two were obtained. Reduce the time of crystallization time to 5 days give nanocrystalline material. XRD and FT-IR spectra in framework region of ZSM-5 synthesized using ethylene diamine template and without template are having similar pattern, however the intensity varies. Scanning electron microscopic picture of the both are varies. The structural stability of the zeolite ZSM-5 synthesized using no template was also found to be lower as compared with that for the ZSM-5 synthesized using ethylene diamine template. These differences. may result from the occluded excess sodium.
}, keywords = {ethylenediamine, Molecular sieve, zeolite}, issn = {0019-4522}, author = {Venkatathri, N.} } @article { ISI:000238624000017, title = {Synthesis of MgNb2O6 by coprecipitation}, journal = {Materials Research Bulletin}, volume = {41}, number = {7}, year = {2006}, month = {JUL}, pages = {1353-1356}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple coprecipitation technique was used successfully to synthesize fine powders of MgNb2O6 (MN) phase. An aqueous mixture of ammonium carbonate and ammonium hydroxide was used to precipitate Mg2+ and Nb5+ cations as carbonate and hydroxide respectively under basic conditions. This precipitate on heating at 750 degrees C produced MN powders. For comparison MN powders were prepared by the traditional solid state method. The phase content and the lattice parameters were studied by powder X-ray diffraction (XRD). Particle size and morphology of the particles were studied by scanning electron microscopy (SEM). (C) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2005.12.009}, author = {Navale, S. C. and Gaikwad, A. B. and Ravi, V.} } @article {42762, title = {Synthesis of neutral (PdII, PtII), Cationic (PdII), and water-induced anionic (PdII) complexes containing new mesocyclic thioether-aminophosphonite ligands and their application in the suzuki cross-coupling reaction}, journal = {Inorganic Chemistry}, volume = {45}, year = {2006}, month = {OCT}, pages = {9454{\textendash}9464}, type = {Article}, abstract = {
Mesocyclic thioether-aminophosphonite ligands, {-OC10H6(μ-S)C10H6O-}PNC4H8O (2a, 4-(dinaphtho[2,1-d:1{\textquoteleft},2{\textquoteleft}-g][1,3,6,2]dioxathiaphosphocin-4-yl)morpholine) and {-OC10H6(μ-S)C10H6O-}PNC4H8NCH3 (2b, 1-(dinaphtho[2,1-d:1{\textquoteleft},2{\textquoteleft}-g][1,3,6,2]dioxathiaphosphocin-4-yl)-4-methylpiperazine) are obtained by reacting {-OC10H6(μ-S)C10H6O-}PCl (1) with corresponding nucleophiles. The ligands 2a and 2b react with (PhCN)2PdCl2 or M(COD)Cl2 (M = PdII or PtII) to afford P-coordinated cis-complexes, [{(-OC10H6(μ-S)C10H6O-)PNC4H8X-κP}2MCl2] (3a, M = PdII, X = O; 3b, M = PdII, X = NMe; 4a, M = PtII, X = O; 4b, M = PtII, X = NMe). Compounds 2a and 2b, upon treatment with [Pd(η3-C3H5)Cl]2 in the presence of AgOTf, produce the P,S-chelated cationic complexes, [{(-OC10H6(μ-S)C10H6O-)PNC4H8X-κP,κS}Pd(η3-C3H5)](CF3SO3) (5a, X = O and 5b, X = NMe). Treatment of 2a and 2b with (PhCN)2PdCl2 in the presence of trace amount of H2O affords P,S-chelated anionic complexes, [{(-OC10H6(μ-S)C10H6O-)P(O)-κP,κS}PdCl2](H2NC4H8X) (6a, X = O and 6b, X = NMe), via P-N bond cleavage. The crystal structures of compounds 1, 2a, 2b, 4a, and 6a are reported. Compound 6a is a rare example of crystallographically characterized anionic transition metal complex containing a thioether-phosphonate ligand. Most of these palladium complexes proved to be very active catalysts for the Suzuki-Miyaura reaction with excellent turnover number ((TON), up to 9.2 {\texttimes} 104 using complex 6a as a catalyst).
}, doi = {10.1021/ic061419e}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article { ISI:000236986000027, title = {Synthesis of spiroannulated dihydroisobenzofuranylated monosaccharides}, journal = {Tetrahedron Letters}, volume = {47}, number = {19}, year = {2006}, month = {MAY}, pages = {3307-3310}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient synthesis of spiroannulated dihydroisobenzofurans is achieved using easily accessible carbohydrate-derived furanyl propargyl ethers via an AuCl3 promoted intramolecular Diels-Alder (IMDA) reaction. The scope of the spiroannulation protocol was demonstrated using a diverse range of pentofuranosyl, hexofuransoyl and hexopyranosyl derived substrates in order to synthesize spiroannulated dihydroisobenzofurans. The reaction is high yielding, moisture tolerant, fast and uses only a catalytic amount of AuCl3. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.016}, author = {Maurya, S. K. and Hotha, Srinivas} } @article { ISI:000236922600018, title = {Synthesis of star shaped Ba1-xSrTiO3 (BST) powders}, journal = {Materials Chemistry and Physics}, volume = {97}, number = {2-3}, year = {2006}, month = {JUN}, pages = {295-300}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Uniform star shaped strontium substituted barium titanyl oxalate Ba1-xSrxTiO(C2O4)(2) (BSTO)/strontium substituted barium titanate, Ba1-xSrxTiO3 (BST) powders were prepared via a simple chemical co-precipitation route with x = 0.15, 0.20, and 0.25. The process involved an addition of 0.1 M solution of titanium tetrabutoxide (BTM) in isopropanol (IPA) to 0.1 M oxalic acid in IPA containing 0.2 M of H2O to produce titanyl oxalate precipitate which was further reacted with 0.1 M solution of ammonium oxalate to obtain 0.1 M clear homogeneous solution of ammonium titanyl oxalate (ATO) with pH 4.25 containing titanium in the form of soluble anionic oxalate species [TiO(C2O4)(2)(2-)]. Stoichiometric quantities of barium hydroxide and strontium nitrate were dissolved in distilled water and its pH was adjusted nearly equal to that of ATO (similar to 4.15) by drop wise addition of dilute HNO3 solution 1:10 (v/v). The addition of this mixed cation precursor solution to ATO solution resulted in precipitation of strontium substituted barium titanyl oxalate (BSTO) having star shaped morphology. The calcination of BSTO precursors at 730 degrees C for 4 h in air produced cubic BST powders (a(o) similar to 4.001, 3.996 and 3.991 angstrom for x = 0. 15, 0.20, 0.25, respectively) having star shaped morphology. SEM, XRD and IFTIR techniques were used to characterize the BSTO/BST powders. (c) 2005 Elsevier B.V. All rights reserved.
}, keywords = {barium-strontium titanate, barium-strontium titanyl oxalate, capping agent, Co-precipitation, Morphology}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.08.013}, author = {Khollam, Y. B. and Potdar, H. S. and Deshpande, S. B. and Gaikwad, A. B.} } @article { ISI:000239885000005, title = {Synthesis of the spiro fused beta-lactone-gamma-lactam segment of oxazolomycin}, journal = {Tetrahedron Letters}, volume = {47}, number = {34}, year = {2006}, month = {AUG}, pages = {6031-6035}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An effective synthetic strategy for construction of the novel spiro-bicyclic beta-lactone-gamma-lactam system present in oxazolomycin has been demonstrated. The 3,4-disubstituted pyrrolidine ring system was constructed via an Evans aldol reaction. The spiro-beta-lactone ring was elaborated from a gem-hydroxymethyl moiety that was successfully installed by an aldol followed by a crossed Cannizzaro reaction. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {crossed Cannizzaro reaction, Evans{\textquoteright} aldol reaction, Garner{\textquoteright}s aldehyde, intramolecular Mitsunobu reaction, ruthenium tetroxide oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.06.117}, author = {Mohapatra, Debendra K. and Mondal, Dhananjoy and Gonnade, Rajesh G. and Chorghade, Mukund S. and Gurjar, Mukund K.} } @article { ISI:000238012800020, title = {Synthetic studies toward macrocidins: an RCM approach for the construction of the central cyclic core}, journal = {Tetrahedron Letters}, volume = {47}, number = {24}, year = {2006}, month = {JUN}, pages = {4061-4064}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The central macrocyclic core of the macrocidins was constructed using RCM as the key reaction. A preliminary investigation dealing with the key reactions, that is, the Dieckmann cyclization and the RCM, revealed that RCM of the beta-ketoamide is better than RCM of the corresponding acyltetramic acid. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {acyltetramic acid, Lacey-Dieckmann cyclization, macrocidins, Ring closing metathesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.192}, author = {Ramana, C. V. and Mondal, Mohabul A. and Puranik, Vedavati G. and Gurjar, Mukund K.} } @article { ISI:000239884300028, title = {Theoretical study of N2O reduction by CO in Fe-BEA zeolite}, journal = {Chemphyschem}, volume = {7}, number = {8}, year = {2006}, month = {AUG}, pages = {1795-1801}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Quantum mechanical (QM) and QM/molecular mechanics (MM) studies of the full catalytic cycle of N2O reduction by CO in Fe-BEA zeolite, that is, oxidation of BEA-Fe by NO and reduction of BEA-Fe-alpha O by CO, is presented. A large QM cluster, representing half of the channel of the BEA zeolite, is used. The contribution of the MM embedding to the calculated activation energies is found to be negligible. The minimum-energy paths for N2O decomposition and reduction with CO are calculated using the nudged elastic bond (NEB) method. Calculated band experimental activation energies ore in good agreement The two possible orientations for the gaseous molecules adsorbing on the Fe site that ore found lead to different activation energies.
}, keywords = {Density functional calculations, iron, nitrogen oxides, reaction mechanisms, zeolites}, issn = {1439-4235}, doi = {10.1002/cphc.200600228}, author = {Fischer, Gerd and Goursot, Annick and Coq, Bernard and Delahay, Gerard and Pal, Sourav} } @article { ISI:000240012600023, title = {Thermally assisted semiconductor-like to insulator transition in gold-poly(methyl methacrylate) nanocomposites}, journal = {Nanotechnology}, volume = {17}, number = {16}, year = {2006}, month = {AUG}, pages = {Article No. 4129-4134}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Gold-polymethylmethacrylate ( PMMA) nanocomposites were fabricated by mixing gold nanoparticles capped with oleylamine in polymethylmethacrylate. The samples were analysed using UV-vis absorption spectroscopy, transmission electron microscopy, small angle x-ray scattering, Fourier transform infrared spectrometry ( FTIR) and x-ray photoelectron spectroscopy ( XPS). Electrical resistivity of nanocomposite samples was measured by a four-probe technique in the 70-300 K range. The nanocomposites showed a transition with an onset at similar to 160-165 K. They exhibited a semiconductor-like conductivity at higher temperatures and nearly temperature independent conductivity at lower temperatures. The interfacial interaction of Au nanoparticles and PMMA polymer is investigated using FTIR and XPS. A ligand-exchange process occurs when capped gold nanoparticles are incorporated in PMMA polymer.
}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/16/023}, author = {Abyaneh, Majid Kazemian and Pasricha, Renu and Gosavi, S. W. and Kulkarni, S. K.} } @article { ISI:000236150300039, title = {Thermotropic behavior of lithocholic acid derivative linked hydroxyethyl cellulose}, journal = {Journal of Applied Polymer Science}, volume = {100}, number = {3}, year = {2006}, month = {MAY}, pages = {1995-2001}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Various mesogenic lithocholic acid (LA) derivatives [3-acetyl LA (LAAC); 3-propionyl LA (LAP), 3-cinnamoyl LA (LACin); 3-benzoyl LA (LAB), 3-(4-nitrobenzoyl) LA (LANB); and methyl-3-(3-carboxypropionyl) LA, i.e., LA methyl ester monosuccinate (LAMeMS)] were reacted with hydroxyethyl cellulose (HEC) to obtain a series of LA derivatives of HEC. These polymers were characterized by the mesogen content, 1.1, differential scanning calorimetry, and hot-stage coupled polarizing optical microscopy. The degree Of Substitution (DS) ranged from 0.27 to 1.11. Polymers HEC-LAB (DS = 1.11), HEC-LANB (DS = 0.80), HEC-LACin (DS = 0.76), and HEC-LAP (DS = 0.27) exhibited a mesophase on heating whereas HEC-LAB also showed a mesophase on cooling. The other polymers HEC-LAAC (DS = 0.89) and HEC-LAMeMS (DS = 0.36) did not reveal mesophase formation with either heating or cooling. It is observed that the formation of a mesophase is affected by the type of mesogen that is used rather than the mesogen content of the polymer. (c) 2006 Wiley Periodicals, Inc.
}, keywords = {hydroxyethyl cellulose, lithocholic acid, thermotropic}, issn = {0021-8995}, doi = {10.1002/app.22285}, author = {Shaikh, V. A. E. and Maldar, Noormahamad N. and Lonikar, Shrikant Vitthal and Rajan, C. R. and Ponrathnam, S.} } @article { ISI:000240786300012, title = {Total synthesis of (-)-radicamine B}, journal = {Tetrahedron Letters}, volume = {47}, number = {39}, year = {2006}, month = {SEP}, pages = {6979-6981}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The synthesis of a chiral cyclic nitrone with L-arabino configuration and its application in the total synthesis of radicamine B is reported. An agreement in the spectral data with natural radicamine B but specific rotation with an opposite sign warranted a revision of the absolute configuration of radicamine B. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {codonopsinine, Cyclic nitrone, Grignard addition, polyhydroxy pyrrolidine alkaloids, radicamine B}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.07.120}, author = {Gurjar, Mukund K. and Borhade, Ramdas G. and Puranik, Vedavati G. and Ramana, C. V.} } @article { ISI:000237651600037, title = {Towards the total synthesis of clavosolide A}, journal = {Tetrahedron Letters}, volume = {47}, number = {22}, year = {2006}, month = {MAY}, pages = {3781-3783}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The synthesis of the monomeric unit of clavosolide A from 1,2:5,6-di-O-isopropylidene-alpha-D-glucose is presented. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {clavosolide A, diolide, reductive oxirane opening, seco acid, Simmons-Smith cyclopropanation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.107}, author = {Yakambram, Pedduri and Puranik, Vedavati G. and Gurjar, Mukund K.} } @article { ISI:000240639000014, title = {Transesterification of cyclic carbonates with methanol at ambient conditions over tungstate-based solid catalysts}, journal = {Applied Catalysis A-General}, volume = {312}, year = {2006}, month = {SEP}, pages = {108-114}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Dimethyl carbonate synthesis with 80 mol\% yield is achieved through transesterification of ethylene carbonate with methanol at ambient conditions (RT and atmospheric pressure) using alkali and alkaline-earth tungstates as solid catalysts. The catalysts are efficient even at the sub-ambient temperatures. Reactions under CO2 pressure indicate that CO2 atmosphere retards the transesterification reaction completely below 100 degrees C. Experimental conditions of 150 degrees C and 3.4 MPa CO2 pressure are required to obtain maximum DMC yield of 71 mol\%. Synthesis of DMC by one-pot synthesis using epoxide, CO2 and methanol is not as effective as that by two-step method with the present catalyst system. Raman and IR spectra of methanol-interacting tungstates indicate the formation of a methoxide ion species adsorbed at the catalyst surface as one possible reaction intermediates. (C) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Dimethyl carbonate, ethylene carbonate, heterogeneous catalyst, Raman spectroscopy, sodium tungstate, transesterification}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.06.034}, author = {Sankar, M. and Nair, C. Madhavan and Murty, K. V. G. K. and Manikandan, Palanichamy} } @article { ISI:000238771400023, title = {Treatment of spentwash using chemically modified bagasse and colour removal studies}, journal = {Bioresource Technology}, volume = {97}, number = {14}, year = {2006}, month = {SEP}, pages = {1752-1755}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Studies were carried out on derivatisation of bagasse into an ion exchange material and application of this chemically modified bagasse in the treatment of distillery wastewater. It was found that CHPTAC bagasse with HCl treatment and DEAE-bagasse in its free base form were most effective in colour removal and the mechanism of colour removal indicated significant contribution of both, the conventional ion exchange and the chemical sorption. (c) 2005 Elsevier Ltd. All rights
}, keywords = {decolourisation, distillery effluent, modified biomass, vinasse}, issn = {0960-8524}, doi = {10.1016/j.biortech.2005.10.016}, author = {Mane, Jyoti D. and Modi, Shewta and Nagawade, Swati and Phadnis, S. P. and Bhandari, Vinay M.} } @article { ISI:000242887400110, title = {Tuning of the magnetostrictive properties of CoFe2O4 by Mn substitution for Co}, journal = {Journal of Applied Physics}, volume = {100}, number = {11}, year = {2006}, month = {DEC}, pages = {113911}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Marked changes in the magnetostriction of CoFe2O4 in the substitution of Mn for Co has been observed. The magnetostriction parallel to the applied field direction decreases with increasing Mn content, whereas the magnetostriction perpendicular to the field showed a marked increase for 10\% of the Mn substitution. The observed magnetostrictive properties are correlated with the magnetic properties. The results suggest the possibility of tuning the magnetostrictive properties of cobalt ferrite for various applications by proper substitution. (c) 2006 American Institute of Physics.
}, issn = {0021-8979}, doi = {10.1063/1.2401648}, author = {Bhame, Shekhar D. and Joy, Pattayil Alias} } @article { ISI:000239400800053, title = {Unfavorable coordination of copper with methyl vinyl ketone in atom transfer radical polymerization}, journal = {Macromolecules}, volume = {39}, number = {16}, year = {2006}, month = {AUG }, pages = {5555-5558}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0024-9297}, doi = {10.1021/ma060365p}, author = {Mittal, A. and Sivaram, S. and Baskaran, D.} } @article { ISI:000242469000012, title = {Unusual formation of nano-particles of CdO and Cd(OH)(2) from the reaction of dimethyl cadmium with DMF}, journal = {Materials Letters}, volume = {60}, number = {29-30}, year = {2006}, month = {DEC}, pages = {3492-3498}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
This paper presents generation of CdO and Cd(OH)(2) nano-particles from Dimethyl Cadmium in DMF. The CdO nano-particles were obtained instead of CdSe, even when the reaction was done in presence of 1,2,3-selenadiazole (the source of selenium) with Me2Cd in DMF (product-I). The direct reaction of Me2Cd in DMF also leads to formation of CdO (product-II). However, Cd(OH)(2) nano-particles were obtained when Me2Cd was refluxed in DMF for a few hours followed by reaction of H2S gas (product-III). The formation of Cd(OH)(2) was also established via decomposition Of Me2Cd:Et2O adduct (product-IV). Nano-particles of CdO and Cd(OH)(2) (product-I to product-IV) were characterized by X-ray powder diffraction (XRD), TEM and SEM/EDS measurements, FTIR, thermal analysis (TGA) and XPS analysis. The particle size of all the products as calculated by XRD patterns were in the range of about 20 nm. TEM images showed that the products are agglomerated clusters with the particles in the nano-meter regime. The synthesis however, is understood to be unusual as the reactions with selenium source and sulfur source should have generated the CdSe and CdS however, the end products were always found to be the product-I to product-IV (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Chemical synthesis, Nanoparticles, Semiconductor, XRD}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.03.054}, author = {Singh, Narendra and Charan, Shobhit and Patil, K. R. and Viswanath, A. K. and Khanna, P. K.} } @article {42733, title = {Unusual products in the reactions of phosphorus(III) compounds with N=N, C equivalent to C or conjugated double-bonded systems}, journal = {Journal of Chemical Sciences}, volume = {118}, year = {2006}, month = {NOV}, pages = {495{\textendash}501}, type = {Article}, abstract = {
The diversity of products in the reaction of diethyl azodicarboxylate (DEAD)/diisopropyl azodicarboxylate (DIAD) and activated acetylenes with PIII compounds bearing oxygen or nitrogen substituents is discussed. New findings that are useful in understanding the nature of intermediates involved in the Mitsunobu reaction are highlighted. X-ray structures of two new compounds (2-t-Bu-4-MeC6H3O)P (μ-N-t-Bu)2P+[(NH-t-Bu)N[(CO2]-i-Pr)(HNCO2-i-Pr)]](Cl-)(2-t-Bu-4-MeC6H3OH)(23)and [CH2(6-t-Bu-4-Me-C6H2O)2P(O)C(CO2Me)C-(CO2Me)CClNC(O)Cl] (33) are also reported. The structure of23 is close to one of the intermediates proposed in the Mitsunobu reaction.
}, doi = {10.1007/BF02703946}, author = {Swamy, K. C. Kumara and Balaraman, Ekambaram and Pavan, M. Phani and Kumar, N. N. Bhuvan and Kumar, K. Praveen and Kumar, N. Satish} } @article { ISI:000240279200017, title = {Vanadium-containing ethane-silica hybrid periodic mesoporous organosilicas: synthesis, structural characterization and catalytic applications}, journal = {Microporous and Mesoporous Materials}, volume = {94}, number = {1-3}, year = {2006}, month = {SEP}, pages = {127-138}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Vanadium-containing ethane-silica hybrid mesoporous silsesquioxane materials (V-HMM) with uniform hexagonal arrangement were prepared using C-18-, C-16- and C-14-alkyl trimethyl ammonium (ATMA) surfactants under basic conditions. The materials were characterized by PXRD, N-2 adsorption-desorption, UV-Visible spectroscopy, Raman, Si-29, C-13 and V-51 solid-state MAS NMR, TEM and SEM techniques. The characterization techniques revealed that the structural ordering, morphology as well as the percentage of metal incorporation depends strongly on the hydrophobic chain length of the surfactant. PXRD, electron microscopy and N-2 adsorptiondesorption analysis confirmed that the original hexagonal structure of the material is maintained after vanadium substitution. UV-Visible, V-51 NMR and Raman analysis certified that vanadium exists in a highly dispersed state and had tetrahedral coordination with the support surface. Liquid-phase epoxidation reaction of styrene using aqueous H2O2 and TBHP as oxidants, showed that the hybrid materials were highly active and more stable than conventional vanadosilicates. The high catalytic activity and improved epoxide selectivity of the V-HMM samples is related to the more hydrophobic environment inside the pore channels than the silica channels in V-MCM-41. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {epoxidation, organo vanadosilicates, styrene, V-HMM, V-MCM-41}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.03.027}, author = {Shylesh, S. and Singh, A. P.} } @article { ISI:000241996500012, title = {Vapour phase methylation of phenol over nanocrystalline ZnFe(2-x)A1(x)O(4) (x=0, 0.25, 0.5, 0.75 and 1.0) ferrospinel system}, journal = {Indian Journal of Chemical Technology}, volume = {13}, number = {5}, year = {2006}, month = {SEP}, pages = {493-498}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
The alkylation ofphenol with methanol was carried out over ZnFe2-xAlxO4 (x = 0, 0.25, 0.5, 0.75 and 1.0) type spinel systems in a Fixed bed, down flow reactor. The influence of Surface acidity, cation distribution in the spinel lattice and various reaction parameters are discussed. A maximum yield of 70.9 and 22.9\% with selectivity of 73.5 and 23.3\% was obtained for 2,6-xylenol and o-cresol respectively, giving a total ortho selectivity of: 96.8\% over ZnFeAlO4 at 350 degrees C, methanol to phenol molar ratio of 5 and WHSV of 0.6 h(-1). Catalyst characterization was made by XRD, Mossbauer spectroscopy, ammonia desorption and BET surface area measurements. Mossbauer spectroscopy reveals isomorphic substitution or Fe 3 by smaller A 13, into the octahedral sites leading to lattice distortion, Unsymmetrical charge distribution and charge transfer from iron to oxygen making it more basic and proton attracting. This helps vertical adsorption ofphenol and formation of 2.6-xylenol. It has been concluded that catalyst acidity plays major role in the reaction as compared to surface area.
}, keywords = {consecutive methylation, ferrospinels, vertical and horizontal adsorption}, issn = {0971-457X}, author = {Reddy, Vanga S. and RadheShyam, A. and Dwivedi, Reena and Rai, A. and Anilkumar, Mettu and Chumbhale, Vilas R. and Aswar, A. S. and Prasad, R.} } @article { ISI:000241854900005, title = {Viscoelastic and dielectric behavior of poly(1-butene)/multiwalled carbon nanotube nanocomposites}, journal = {Journal of Macromolecular Science Part B-Physics}, volume = {45}, number = {6}, year = {2006}, month = {NOV}, pages = {1053-1064}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Linear viscoelastic properties and dielectric behavior of poly(1-butene)/multiwalled carbon nanotube (MWCNT) nanocomposites were investigated. Dynamic mechanical analysis showed significant increase in storage modulus in the rubbery regime. The tan delta peak temperature remained constant; however, the peak intensity was lowered for the nanocomposites. In melt rheological studies the nanocomposites showed a shift in crossover frequency to the lower side, suggesting delayed relaxation of the molecular chains in the presence of MWCNT and this shift was found to depend on the content of MWCNT. The dielectric constant increased from 2.2 to 70 for the nanocomposite with 7 wt. \% MWCNT. The electrical conductivity increased significantly, from 10(-15) to 10(-3) S/cm. The results of rheology and dielectric studies indicate that a percolation network is formed that is responsible for the observed changes.
}, keywords = {Dielectric, MWCNT, poly(1-butene), viscoelastic}, issn = {0022-2348}, doi = {10.1080/00222340600929691}, author = {Wanjale, Santosh D. and Jog, Jyoti Prakash} } @article { ISI:000243169700040, title = {Vishnu Ganesh Bhide (1940-2006)}, journal = {Current Science}, volume = {91}, number = {11}, year = {2006}, month = {DEC}, pages = {1574-1575}, publisher = {CURRENT SCIENCE ASSN}, type = {Bibliographical-Item}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Ogale, Satish and Date, Sadgopal K.} } @article { ISI:000237524500009, title = {Well-defined poly(4-vinylbenzocyclobutene): synthesis by living anionic polymerization and characterization}, journal = {Macromolecules}, volume = {39}, number = {10}, year = {2006}, month = {MAY}, pages = {3525-3530}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Living anionic polymerization of 4-vinylbenzocylobutene was performed in benzene at room temperature using sec-butyllithium as the initiator. Results of the kinetic studies indicated the termination- and transfer-free nature of the polymerization. Homopolymers with predictable molecular weights and narrow molecular weight distributions were produced, excluding the interference of the cyclobutene rings during initiation and propagation. Thermogravimetric analysis of poly( 4-vinylbenzocyclobutene) in air showed a small weight gain at similar to 200 degrees C, a rapid decomposition at similar to 455 degrees C, and a gradual decomposition at similar to 566 degrees C. This behavior was attributed to the formation of radicals from the pendent benzocyclobutene functionality through o-quinodimethane intermediates and simultaneous decomposition/ cross-linking reactions at high temperature. The living nature of the polymerization was also examined via sequential copolymerization with butadiene to form diblock copolymers.
}, issn = {0024-9297}, doi = {10.1021/ma060175e}, author = {Sakellariou, G. and Baskaran, D. and Hadjichristidis, Nikos and Mays, Jimmy W.} } @article { ISI:000240496500030, title = {ZnO multipods, submicron wires, and spherical structures and their unique field emission behavior}, journal = {Journal of Physical Chemistry B}, volume = {110}, number = {37}, year = {2006}, month = {SEP}, pages = {18236-18242}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A simple method of vapor deposition for the shape selective synthesis of ZnO structures, namely, multipods, submicron wires, and spheres, has been successfully demonstrated. A plausible growth mechanism based on the studies of scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) is proposed. Our studies suggest that the growth of a multipod structure is governed by the screw dislocation propagation while the vapor-liquid-solid (VLS) mechanism is responsible for the formation of submicron wires and spheres. Moreover, the flow rate of the carrier gas plays a crucial role in governing the morphology. Further, these structures exhibit an enhanced field emission behavior. The nonlinearity in the Fowler-Nordheim (F-N) plot, a characteristic feature of electron emission from semiconductors, is explained by considering the contributions from both the conduction and the valence bands of ZnO.
}, issn = {1520-6106}, doi = {10.1021/jp0628131}, author = {Ramgir, Niranjan S. and Late, Dattatray J. and Bhise, Ashok B. and More, Mahendra A. and Mulla, Imtiaz S. and Joag, Dilip S. and Vijayamohanan, K.} } @article { ISI:000248080100348, title = {3-(3-Methylphenoxy)-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-one}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {63}, number = {5}, year = {2007}, month = {MAY}, pages = {O2405-O2406}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, chapter = {Part 5}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
In the title compound, C15H15O4P, the seven-membered phosphepine ring exhibits a twist-chair conformation, with the phosphoryl O atom in an equatorial and the methylphenoxy group in an axial position. The crystal structure is stabilized by both intra- and intermolecular C-H center dot center dot center dot O hydrogen bonds.
}, issn = {1600-5368}, doi = {10.1107/S1600536807015954}, author = {Krishna, J. Radha and Krishnaiah, M. and Babu, M. F. Stephen and Reddy, C. Suresh and Puranik, Vedavati G.} } @article { ISI:000249453100008, title = {4-Formylazetidin-2-one as a useful building block for the formal synthesis of xylo-(2S,3R,4R)-phytosphingosine and threo-(2S,3S)-sphingosine}, journal = {Synthesis-Stuttgart }, volume = {17}, number = {17}, year = {2007}, month = {SEP}, pages = {2631-2636}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Stereoselective formal synthesis of xylo-(2S,3R,4R)-phytosphingosine and threo-(2S,3S)-sphingosine is described starting from an enantiopure formyl-substituted P-lactam. Grignard reaction of the N-Boc-protected-beta-lactam carbonyl group, followed by further transformations, provides a common intermediate for xylo-(2S,3R,4R)-phytosphingosine and threo-(2S,3S)-sphingosine.
}, keywords = {azetidin-2-one, beta-lactam, Grignard reaction, Phytosphingosine, Sphingosine}, issn = {0039-7881}, doi = {10.1055/s-2007-983815}, author = {Kale, Ajaykumar S. and Sakle, Prathmesh S. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000248080100349, title = {6-Bromo-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydro-1,3,2-benzoxa zaphosphinine 2-sulfide}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {63}, number = {5}, year = {2007}, month = {MAY}, pages = {O2407-O2409}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, chapter = {Part 5}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
In the title compound, C20H16BrClNO2PS, the six-membered oxazaphosphinine ring exhibits a boat conformation, with the S atom in an axial position. The methoxyphenyl and chlorobenzene groups are trans to each othe. The structure is stabilized by intermolecular C-H center dot center dot center dot S hydrogen bonds, linking the molecules into chains.
}, issn = {1600-5368}, doi = {10.1107/S160053680701776X}, author = {Krishna, J. Radha and Krishnaiah, M. and Prasad, G. Syam and Reddy, C. Suresh and Puranik, Vedavati G.} } @article {42681, title = {Ab initio lifetimes in the interatomic coulombic decay of neon clusters computed with propagators}, journal = {Journal of Chemical Physics}, volume = {126}, year = {2007}, month = {APR}, pages = {Article No. 164110}, type = {Article}, doi = {10.1063/1.2723117}, author = {Vaval, Nayana and Cederbaum, Lorenz S.} } @article { ISI:000251828300003, title = {Activation and reactivity of epoxides on solid acid catalysts}, journal = {Journal of Catalysis}, volume = {252}, number = {2}, year = {2007}, month = {DEC}, pages = {148-160}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The aminolysis of epoxides over novel solid catalysts (Bronsted-acidic SBA-15 functionalized with propylsulfonic acid and Lewis-acidic Ti-MCM-41) is reported. The acidic properties of these catalysts were determined by FTIR spectroscopy and temperature-programmed desorption of pyridine and NH3, respectively. The mesoporous solid acids of the present study are reusable and exhibit significantly higher catalytic activities than known catalysts for opening of the oxirane ring with nitrogen (aromatic and aliphatic amines)-containing and oxygen (alcohols)-containing nucleophiles. A range of beta-amino, alcohols with high regioselectivity and stereoselectivity were synthesized. Adsorption studies as well as the sigmoid shape of the conversion- versus-time plots show that the epoxide and amine compete for adsorption on the acidic sites (-SO3H or Ti4+) on the catalyst surface. Epoxide adsorption and activation on acid sites are the more critical processes. Catalytic activity decreases with increasing basicity of the amines and/or the alcohol, as well as the dielectric constant of the solvent. (C) 2007 Elsevier Inc. All rights reserved.
}, keywords = {aminolysis and alcoholysis of epoxides, beta-Amino alcohols, ring opening of epoxides, SBA-15 functionalized with propylsulfortic acid, Solid acids, Ti-MCM-41}, issn = {0021-9517}, doi = {10.1016/j.jcat.2007.10.002}, author = {Saikia, Lakshi and Satyarthi, J. K. and Srinivas, Darbha and Ratnasamy, P.} } @article { ISI:000245519000047, title = {Active site directed chemical modification of alpha-galactosidase from bacillus stearothermophilus (NCIM 5146): involvement of lysine, tryptophan and carboxylate residues in catalytic site}, journal = {Enzyme and Microbial Technology}, volume = {40}, number = {5}, year = {2007}, month = {APR}, pages = {1312-1320}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
The catalytic amino acid residues of the extracellular a-galactosidase (alpha-D-galactoside galactohydrolase; EC 3.2.1.22) from Bacillus stearothermophilus NCIM 5146 were investigated by pH dependence and chemical modification studies. These results suggested that carboxylate and a lysine residue take part in catalysis and only lysine residues were essential for substrate binding. Carbodiimide mediated chemical modification of the enzyme also supported that a carboxylate residue located in the active site act as a nucleophile base in substrate cleavage. Acylation and reductive methylation of lysine residues by acetic, citraconic anhydride and sodium borohydride suggested that four protonated lysine residues carrying positive charge on its epsilon-amino group provides the positive charge density for binding of the substrate. Additionally four tryptophan residues also found near to the active site and in a moderately hydrophobic environment. Kinetic and thermal inactivation study of modified enzyme indicated that these tryptophan residues might have a role in the catalytic site as well as in the thermal stabilization of active site conformation at higher temperature. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {Active site, alpha-galactosidase, Bacillus stearothermophilus, carboxylate, Chemical modification, lysine, Tryptophan}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2006.10.004}, author = {Gote, M. M. and Khan, Mohammad Islam and Khire, Jayant Malhar} } @article { ISI:000243831600015, title = {Acylation of anisole with long-chain carboxylic acids over wide pore zeolites}, journal = {Applied Catalysis A-General}, volume = {317}, number = {2}, year = {2007}, month = {FEB}, pages = {250-257}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The acylation of anisole with long-chain carboxylic acids (hexanoic, octanoic and decanoic) has been studied over three large pore zeolites-beta (BEA), faujasite (FAU) and mordenite (MOR). The acylation of anisole with the long chain acids produced mainly the ketone (4-methoxy phenyl alkyl ketone) and small amounts of the ester (phenyl alkanoate). The results revealed the reaction to be influenced by the type of zeolite and its Si/Al ratio (acidity) besides the chain length (carbon number) of the carboxylic acid. In the acylation of anisole with hexanoic acid, the activity of the zeolites increased with dealumination as it led to the generation of mesopores that resulted in a decrease in diffusion resistance of the zeolites. The reactivity of the acids in the acylation reaction was found to decrease with increase in the carbon number. The experimental data have been fitted into a pseudo first order kinetic model. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Acylation, Anisole, decanoic acid, hexanoic acid, octanoic acid, zeolites}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.10.023}, author = {Wagholikar, S. G. and Niphadkar, P. S. and Mayadevi, S. and Sivasanker, S.} } @article { ISI:000242511300022, title = {Adsorption of methanol on mesoporous SBA-15}, journal = {Materials Letter}, volume = {61}, number = {1}, year = {2007}, month = {JAN}, pages = {88-92}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The adsorption of methanol onmesoporous SBA-15 has been studiedbyrising Brunauer-Emmett-Teller (BET) surface area analysis, scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy, X-ray photoclectrom spectroscopy (XPS) and tbennogravimettic analysis (TGA). The BET surface area analysis shows decreases of the surface area from 387 to 383 m(2)/g, pore volume from 0.88 to 0.81 cm(3)/g and pore diameter from 9.07 to 8.4 mm after methanol adsorption. The appearance of strong IR bands at 2862 and 2964cm(-1) due to methyl (-CH3) symmetric and asymmetric stretching demonstrate the presence of methanol and evidence of successful methanol adsorption. XPS results show increase of carbon and oxygen content on the surface of SBA-15. Thermogravirriettic analysis shows that the methanol adsorbed on SBA-15 is stable up to a temperature of 265 degrees C and that the methanol adlayers decompose between 265 and 588 degrees C. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Adsorption, Electron microscopy, Methanol, SBA-15, Surfaces, thermal stability}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.04.012}, author = {Mirji, S. A. and Halligudi, Shivaraj B. and Mathew, Nevin T. and Jacob, Nalini E. and Patil, K. R. and Gaikwad, A. B.} } @article { ISI:000247759200023, title = {Adsorption of zinc from aqueous solution using chemically treated newspaper pulp}, journal = {Bioresource Technology }, volume = {98}, number = {16}, year = {2007}, month = {NOV}, pages = {3136-3141}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Adsorption of zinc was studied using chemically modified newspaper pull) as an adsorbent in the aqueous medium. Quantitative chemical analysis showed the presence of trace quantities of some inorganic elements along with phosphorous in TNP. The experimental adsorption data fitted reasonably well to both Freundlich and Langmuir isotherm. pHzpc of TNP was 5.1, which indicated that the adsorbent was more potential for cationic adsorption. The adsorption kinetic data followed a pseudo-second order model for zinc. Optimum Zn2+ loading was 9.20 mg/g for 10.31 mg/l initial zinc concentration at pH 5.80. Zn2+ loading on TNP was dependent on initial zinc concentration. TNP was a potential adsorbent for the removal of Zn from the effluent of electroplating industry. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Adsorption, newspaper pulp, TNP, zinc}, issn = {0960-8524}, doi = {10.1016/j.biortech.2006.10.040}, author = {Chakravarty, S. and Bhattacharjee, S. and Gupta, K. K. and Singh, M. and Chaturvedi, Hema T. and Maity, S.} } @article { ISI:000250661500014, title = {All-solid-state{\textquoteright} electrochemistry of a protein-confined polymer electrolyte film}, journal = {Biochemical and Biophysical Research Communications}, volume = {364}, number = {1}, year = {2007}, month = {DEC}, pages = {86-91}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Interfacial redox behavior of a heme protein (hemoglobin) confined in a solid polymer electrolyte membrane, Nafion (a perfluoro sulfonic acid ionomer) is investigated using a unique {\textquoteleft}all-solid-state{\textquoteright} electrochemical methodology. The supple phase-separated structure of the polymer electrolyte membrane, with hydrophilic pools containing solvated protons and water molecules, is found to preserve the incorporated protein in its active form even in the solid-state, using UV-visible, Fluorescence (of Tryptophan and Tyrosine residues) and DRIFT (diffuse reflectance infrared Fourier transform) spectroscopy. More specifically, solid-state cyclic voltammetry and electrochemical impedance of the protein-incorporated polymer films reveal that the Fe2+-form of the entrapped protein is found to bind molecular oxygen more strongly than the native protein. In the {\textquoteleft}all-solid-state{\textquoteright} methodology, as there is no need to dip the protein-modified electrode in a liquid electrolyte (like the conventional electrochemical methods), it offers an easier means to study a number of proteins in a variety of polymer matrices (even biomimetic assemblies). In addition, the results of the present investigation could find interesting application in a variety of research disciplines, in addition to its fundamental scientific interest, including protein biotechnology, pharmaceutical and biomimetic chemistry. (C) 2007 Elsevier Inc. All rights reserved.
}, keywords = {all-solid-state, cyclic voltammetry, hemoglobin, Impedance, Nafion, redox behavior}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2007.09.118}, author = {Parthasarathy, Meera and Pillai, Vijayamohanan K. and Mulla, Imtiaz S. and Shabab, Mohammed and Khan, Mohammad Islam} } @article { ISI:000245334800007, title = {Analysis of a membrane reactor: influence of membrane characteristics and operating conditions}, journal = {International Journal of Chemical Reactor Engineering}, volume = {5}, year = {2007}, month = {APR}, pages = {Article No. A5}, publisher = {BERKELEY ELECTRONIC PRESS}, type = {Article}, address = {2809 TELEGRAPH AVENUE, STE 202, BERKELEY, CA 94705 USA}, abstract = {
Modeling of an esterification reaction in a batch pervaporation membrane reactor (PVMR), and an analysis of the PVMR performance under different reaction conditions for different membrane characteristics are presented. Esterification of ethyl alcohol with acetic acid was considered as the model reaction. The PVMR performance for this reaction could be represented by a 2-step series model. The PVMR performance was similar to that of the batch reactor when both the reactors were in the kinetic regime. However, the performance of the PVMR was superior to that of the batch reactor when both were in the intermediate/equilibrium regime of the reaction. In these regions, the PVMR performance was influenced/limited by the membrane flux and selectivity. The analysis showed that the membrane flux affected the PVMR performance in the intermediate region and the membrane selectivity affected the performance in the equilibrium regime. Further, the limitations introduced by a low-flux membrane could be overcome by appropriate selection of the membrane area and that due to poor selectivity could be compensated to a certain extent by adjusting the feed ratio.
}, keywords = {comparison, Esterification, membrane reactor, performance, pervaporation membrane}, issn = {1542-6580}, author = {Tanna, Nikunj P. and Mayadevi, S.} } @article { ISI:000207455800021, title = {Analysis of mitochondrial DNA sequences in childhood encephalomyopathies reveals new disease-associated variants}, journal = {Plos One}, volume = {2}, number = {9}, year = {2007}, month = {SEP}, pages = {e942}, publisher = {PUBLIC LIBRARY SCIENCE}, type = {Article}, address = {185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA}, abstract = {
Background. Mitochondrial encephalomyopathies are a heterogeneous group of clinical disorders generally caused due to mutations in either mitochondrial DNA (mtDNA) or nuclear genes encoding oxidative phosphorylation (OXPHOS). We analyzed the mtDNA sequences from a group of 23 pediatric patients with clinical and morphological features of mitochondrial encephalopathies and tried to establish a relationship of identified variants with the disease. Methodology/Principle Findings. Complete mitochondrial genomes were amplified by PCR and sequenced by automated DNA sequencing. Sequencing data was analyzed by SeqScape software and also confirmed by BLASTn program. Nucleotide sequences were compared with the revised Cambridge reference sequence (CRS) and sequences present in mitochondrial databases. The data obtained shows that a number of known and novel mtDNA variants were associated with the disease. Most of the non-synonymous variants were heteroplasmic (A4136G, A9194G and T11916A) suggesting their possibility of being pathogenic in nature. Some of the missense variants although homoplasmic were showing changes in highly conserved amino acids (T3394C, T3866C, and G9804A) and were previously identified with diseased conditions. Similarly, two other variants found in tRNA genes (G5783A and C8309T) could alter the secondary structure of Cys-tRNA and Lys-tRNA. Most of the variants occurred in single cases; however, a few occurred in more than one case (e. g. G5783A and A10149T). Conclusions and Significance. The mtDNA variants identified in this study could be the possible cause of mitochondrial encephalomyopathies with childhood onset in the patient group. Our study further strengthens the pathogenic score of known variants previously reported as provisionally pathogenic in mitochondrial diseases. The novel variants found in the present study can be potential candidates for further investigations to establish the relationship between their incidence and role in expressing the disease phenotype. This study will be useful in genetic diagnosis and counseling of mitochondrial diseases in India as well as worldwide.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0000942}, author = {Wani, Aijaz A. and Ahanger, Sajad H. and Bapat, Sharmila A. and Rangrez, Ashraf Y. and Hingankar, Nitin and Suresh, C. G. and Barnabas, Shama and Patole, Milind S. and Shouche, Yogesh S.} } @article { ISI:000247306400010, title = {Anhydrous magnesium sulfate mediated solvent-free synthesis of dihydropyrimidin-2(1H)-ones at ambient temperature}, journal = {Australian Journal of Chemistry}, volume = {60}, number = {6}, year = {2007}, month = {JUN}, pages = {435-438}, publisher = {CSIRO PUBLISHING}, type = {Article}, address = {150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA}, abstract = {
An anhydrous magnesium sulfate mediated solvent-free protocol is described for the synthesis of dihydropyrimidinones (Biginelli compounds) at ambient temperature.
}, issn = {0004-9425}, doi = {10.1071/CH07097}, author = {Pore, D. M. and Desai, Uday V. and Thopate, T. S. and Wadgaonkar, P. P.} } @article { ISI:000245763600001, title = {Anionic vinyl polymerization - 50 years after Michael Szwarc}, journal = {Progress in Polymer Science}, volume = {32}, number = {2}, year = {2007}, month = {FEB}, pages = {173-219}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We present a review on the present status of anionic polymerization of important non-polar and polar vinyl monomers. After presenting the historical background-the {\textquoteleft}{\textquoteleft}pre-Szwarc{\textquoteright}{\textquoteright} era-we discuss the mechanisms of this polymerization, in particular several types of carbanions, their ion-pairs and their aggregates occurring in the initiation and propagation of non-polar and polar monomers, including recent developments. Finally, we discuss some important scientific and industrial applications of anionic polymerization. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Anionic polymerization, carbanions, history, ion-pairs, kinetics, mechanisms}, issn = {0079-6700}, doi = {10.1016/j.progpolymsci.2007.01.003}, author = {Baskaran, Durairaj and Mueller, Axel H. E.} } @article { ISI:000243725800029, title = {Anticorrosive properties of electrosynthesized poly(o-anisidine) coatings on copper from aqueous salicylate medium}, journal = {Journal of Physics D-Applied Physics}, volume = {40}, number = {2}, year = {2007}, month = {JAN}, pages = {520-533}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Poly( o-anisidine) ( POA) coatings were electrosynthesized on copper ( Cu) from an aqueous solution containing o-anisidine and sodium salicylate by using cyclic voltammetry, galvanostatic and potentiostatic modes. The extent of corrosion protection offered by these coatings to Cu in aqueous 3\% NaCl solution was evaluated by the open circuit potential measurements, potentiodynamic polarization technique and electrochemical impedance spectroscopy. Potentiodynamic polarization and electrochemical impedance spectroscopy studies reveal that the POA acts as a protective layer on Cu against corrosion in 3\% NaCl solution. The positive shift in the corrosion potential for the POA-coated Cu indicates the protection of the Cu surface by the POA. The POA coating synthesized by using cyclic voltammtery, galvanostatic and potentiostatic modes reduces the corrosion rate of Cu almost by a factor of 100, 100 and 7, respectively. The cyclic voltammetry was proved to be the better mode to adopt for the synthesis of more compact and strongly adherent POA coatings on Cu. The coatings synthesized by this mode were characterized by cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy and scanning electron microscopy. It was found that the electrochemical polymerization of o-anisidine on Cu takes place after the passivation of its surface via the formation of Cu2O and/or copper salicylate complex and results in the generation of shiny, uniform and strongly adherent POA coatings. The optical absorption spectroscopy reveals the formation of the emeraldine salt form of POA. The results of this study clearly ascertain that the POA has outstanding potential to protect Cu against corrosion in a chloride environment.
}, issn = {0022-3727}, doi = {10.1088/0022-3727/40/2/028}, author = {Chaudhari, Sudeshna and Sainkar, S. R. and Patil, P. P.} } @article { ISI:000243176500006, title = {Application of cellulases from an alkalothermophilic thermomonospora sp in biopolishing of denims}, journal = {Biotechnology and Bioengineering}, volume = {96}, number = {1}, year = {2007}, month = {JAN}, pages = {48-56}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Use of cellulase for denim washing is a standard eco-friendly technique to achieve desirable appearance and softness for cotton fabrics and denims. But enzymatic washing of denim till date involved acid cellulase (Trichoderma reesei) and neutral cellulase (Humicola isolens) the use of which has a drawback of backstaining of the indigo dye on to the fabric. Though it has been suggested that pH is a major factor in controlling backstaining there are no reports on use of cellulase under alkaline conditions for denim washing. In this study for the first time an alkali stable endoglucanase from alkalothermophilic Thermomonospora sp. (T-EG) has been used for denim biofinishing under alkaline conditions. T-EG is effective in removing hairiness with negligible weight loss and imparting softness to the fabric. Higher abrasive reactivity with lower backstaining was a preferred property for denim biofinishing exhibited by T-EG. The activities were comparable to acid and neutral cellulases that are being regularly used. The enzyme was also effective under non-buffering conditions which is an added advantage for use in textile industry. A probable mechanism of enzymatic finishing of cotton fabric has been represented based on the unique properties of T-EG.
}, keywords = {alkaline conditions, biopolishing, Cellulase, denim, Thermomonospora sp}, issn = {0006-3592}, doi = {10.1002/bit.21175}, author = {Anish, Ramakrishnan and Rahman, Mohammad Safikur and Rao, Mala} } @article { ISI:000248238400001, title = {Application of hydrolytic kinetic resolution (HKR) in the synthesis of bioactive compounds}, journal = {Tetrahedron}, volume = {63}, number = {13}, year = {2007}, month = {MAR}, pages = {2745-2785}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, keywords = {Biological activity, bis-epoxides, Hydrolytic kinetic resolution, meso-epoxides, Natural products, synthesis, terminal epoxides}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.12.015}, author = {Kumar, Pradeep and Naidu, Vasudeva and Gupta, Priti} } @article { ISI:000251722700028, title = {Assessing feasibility of polyarylate-clay nanocomposites towards improvement of gas selectivity}, journal = {Journal of Membrane Science}, volume = {306}, number = {1-2}, year = {2007}, month = {DEC}, pages = {277-286}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Polymer-clay nanocomposites are well known to reduce the penetrant permeability by following tortuous path. Effects of such reduction in gas permeability on variation in selectivity of nanocomposites prepared using a high permeability polymer were examined. The polyarylate: poly (tetramethyl bisphenolA-iso/terephthalate) that exhibits high permeability and moderate selectivity was chosen for making nanocomposites with two organically modified clays (Cloisite 6A and 10A) by solution intercalation method. The nanocomposite formation for various clay loadings (3, 5 and 7\% w/w) in polyarylate was ascertained by change in physical properties (X-ray diffraction, DMA, TEM). Behavior of solution viscosity and nanocomposite density indicated existence of polymer-clay layer interactions. As anticipated, though the gas permeability of pure gases, viz., He, N-2, CH4 and CO2 exhibited decrease, it was not monotonous. This decrease was more for larger gases (N-2, CH4 and CO2) in comparison to the decrease for smaller gas (He) permeability. This led to a decrease in CO2/N-2 and CO2/CH4 selectivities and increase in He/CO2 selectivity; while He/CH4 selectivity was increased substantially at 7\% clay loading. This variation indicated feasibility of nanocomposites formation as a tool for improving selectivity of certain gas pairs. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Gas permeation, Nanocomposites, polyarylates, selectivity, solution intercalation}, issn = {0376-7388}, doi = {10.1016/j.memsci.2007.09.001}, author = {Bhole, Yogesh S. and Wanjale, Santosh D. and Kharul, Ulhas K. and Jog, Jyoti Prakash} } @article { ISI:000244470700005, title = {Asymmetric synthesis of (R)-(-)-baclofen via asymmetric dihydroxylation}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {46}, number = {2}, year = {2007}, month = {FEB}, pages = {326-330}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
A short and efficient asymmetric synthesis of (R)-(-)-baclofen, a selective GABA(B) agonist has been described with an overall yield of 14\% and 85\% ee. The Os-catalyzed Sharpless asymmetric dihydroxylation of alpha,beta-unsaturated olefin constitutes the key step in introducing stereogenic centers into the molecule.
}, keywords = {asymmetric dihydroxylation, baclofen, cyclic sulfate, gamma-aminobutyric acid, Parkinsons{\textquoteright} disease}, issn = {0376-4699}, author = {Thakur, V. V. and Paraskar, A. S. and Sudalai, A.} } @article { ISI:000243627100004, title = {Attempt at taxonomical characterization of some Rhizobial species by intact cell MALDI mass spectrometry}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {23}, number = {2}, year = {2007}, month = {FEB}, pages = {177-185}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
In the present study an attempt was made to exploit the benefit of intact cell MALDI mass spectrometry (ICM-MS) in bringing out similarities and differences among some Rhizobium species and a species of Agrobacterium based on specific mass:charge (m/z) values. Rhizobium species isolated from the root nodules of selected leguminous plants were analysed by ICM-MS. The spectra were acquired in the range of 500-10,000 Da yielding several peaks specific to each species. The peaks obtained corresponded to the respective bacterial cell surface molecules which were desorbed during matrix-assisted laser desorption ionization. The number of peaks were more in the range of 500-1200 Da. Dice similarity coefficient analysis of m/z values indicated that Rhizobium species isolated from Trigonella foenum-graecum and Pisum arvense showed more similarity than any other species. Agrobacterium species did show a few common m/z values in comparison with other Rhizobium species. This clearly shows that Agrobacterium is closely related to Rhizobium. Eventually, ICM-MS technique offers clear, distinct, and consistent results for replicates, in less than an hour{\textquoteright}s time, therefore this technique has high potential in molecular taxonomy.
}, keywords = {ICM-MS, legume, molecular taxonomy, Rhizobium, symbiotic}, issn = {0959-3993}, doi = {10.1007/s11274-006-9207-4}, author = {Prabhu, R. R. and Kulkarni, Mahesh J. and Parasharami, V. A. and Santhakumari, B. and Paranjape, S.} } @article {42765, title = {Au nanoparticle templated synthesis of pNIPAm nanogels}, journal = {Chemistry of Materials}, volume = {19}, year = {2007}, month = {JAN}, pages = {719-726}, type = {Article}, doi = {10.1021/cm061878d}, author = {Singh, Neetu and Lyon, L. Andrew} } @article { ISI:000243163000080, title = {Au-Pt nanoparticles in amine functionalized MCM-41: catalytic evaluation in hydrogenation reactions}, journal = {Catalysis Communications}, volume = {8}, number = {3}, year = {2007}, month = {MAR}, pages = {629-634}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nano-sized Au-Pt nanoparticles (Au-Pt-bi-MNPs) have been synthesized by the simultaneous reduction of HAuCl4 and HPtCl6 by NaBH4 inside the channels of amine functionalized Si-MCM-41 (NH2-Si-MCM-41) at ambient conditions. These materials were characterized using chemical analysis, UV-vis, XPS, XRD, FT-IR, Surface area and TEM analysis. The size of these alloyed nanoparticles (bi-MNPs) were found in the range of 2-4 nm. These nanoparticles were evaluated to study their catalytic activities towards hydrogenation of aromatic nitro compounds. The catalytic activity of the Au-Pt bi-MNPs was found to be superior to monometallic An nanoparticles. (c) 2006 Published by Elsevier B.V.
}, keywords = {amine-functionalized MCM-41, Au-Pt nanoparticles, Catalytic hydrogenation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.03.004}, author = {Joseph, Trissa and Kumar, K. Vijay and Ramaswamy, A. V. and Halligudi, Shivaraj B.} } @article { ISI:000252511300020, title = {Bacterial enzyme mediated biosynthesis of gold nanoparticles}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {7}, number = {12}, year = {2007}, month = {DEC}, pages = {4369-4377}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Development of synthesis methods for anisotropic metal nanoparticles is of considerable interest due to their remarkable optoelectronic properties. Various shapes ranging from rods to cubes to tetrapods and prisms may be obtained by chemical methods. Here we show that anisotropic gold nanoparticles can be synthesized biologically by the bacterium Actinobacter spp. when challenged with gold chloride in the presence of Bovine serum albumin (BSA). We also observed that synthesis of gold nanoparticles occur with simultaneous induction of the protease enzyme secreted by the bacterium in the presence of BSA. The presence of BSA helps to enhance the rate of gold nanoparticles biosynthesis and may also impart some shape control. Controlling simple experimental conditions like incubation temperature and presence or absence of oxygen have drastic effect on the reaction rate and the morphology of the particles. Various assay experiments show that the presence of enzyme protease can act as a reducing as well as shape directing agent.
}, keywords = {Biosynthesis, bovine serum, gold nanoparticles}, issn = {1533-4880}, doi = {10.1166/jnn.2007.891}, author = {Bharde, Atul A. and Kulkarni, Aarohi and Rao, Mala and Prabhune, Asmita and Sastry, Murali} } @article { ISI:000245961800008, title = {Benzylsulfonic acid functionalized mesoporous Zr-TMS catalysts: an efficient and recyclable catalyst for the preparation of coumarin derivatives by pechmann condensation reaction}, journal = {Catalysis Communications}, volume = {8}, number = {5}, year = {2007}, month = {MAY}, pages = {777-783}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Benzylsulfonic acid functionalized mesoporous Zr-TMS (Zr-TMS-BSA, Zr-TMS, zirconia based transition metal oxide mesoporous molecular sieves) catalyst is used as an alternative to conventional acid catalysts in the von Pechmann condensation of aromatic alcohols with ethyl acetoacetate leading to the formation of coumarin derivatives in solvent free condition at 150 degrees C. Three types of coumarins, 7-hydroxy-4-methylcoumarin (beta-methylumbelliferone), 7-methoxy-4-methylcoumarin (Methyl-4-methylumbelliferyl ether) and 7,8-benzo-4-methylcoumarin derivatives have been prepared using resorcinol, 3-methoxyphenol and 1-naphthol, respectively. The catalytic activity and the recycle studies of the catalyst in all the three reactions proved the superior performance of the catalyst. Further the products were confirmed by GC, elemental analysis, melting point and NMR techniques. Finally, the probable mechanism for Pechmarm condensation using Zr-TMS-BSA catalyst has been reported. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {benzylsulfonic acid, Pechmann condensation and coumarins, Zr-TMS-BSA catalysts}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.08.039}, author = {Selvakumar, S. and Chidambaram, M. and Singh, A. P.} } @article { ISI:000245984200011, title = {Bile salt hydrolase, the member of Ntn-hydrolase family: differential modes of structural and functional transitions during denaturation}, journal = {IUBMB Life}, volume = {59}, number = {2}, year = {2007}, month = {FEB}, pages = {118-125}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Conformational transitions and functional stability of the bile salt hydrolase (BSH; cholylglycine EC: 3.5.1.24) from Bifidobacterium longum (BlBSH) cloned and expressed in E. coli were studied under thermal, chemical and pH-mediated denaturation conditions using fluorescence and CD spectroscopy. Thermal and Gdn-HCl-mediated denaturation of BlBSH is a multistep process of inactivation and unfolding. The inactivation and unfolding of the enzyme was found to be irreversible. Enzyme activity seems sensitive to even minor conformational changes at the active site. Thermal denaturation as such did not result in any insoluble protein aggregates. However, on treating with 0.25-1 M Gdn-HCl the enzyme showed increasing aggregation at temperatures of 40-55 degrees C indicating more complex structural changes taking place in the presence of chemical denaturants. The enzyme secondary structure was still intact at acidic pH (pH 1-3). The perturbation in the tertiary structure at the acidic pH was detected through freshly formed solvent exposed hydrophobic patches on the enzyme. These changes could be due to the formation of an acid-induced molten globule-like state.
}, keywords = {Aggregation, Bile salt hydrolase, molten-globule, Unfolding}, issn = {1521-6543}, doi = {10.1080/15216540701245014}, author = {Kumar, R. Suresh and Suresh, C. G. and Brannigan, James A. and Dodson, Guy G. and Gaikwad, Sushama M.} } @article { ISI:000243163000025, title = {Bimetallic Pt-Sn/gamma-alumina catalyst for highly selective liquid phase hydrogenation of diethyl succinate to gamma-butyrolactone}, journal = {Catalysis Communications}, volume = {8}, number = {3}, year = {2007}, month = {MAR}, pages = {340-344}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Platinum-tin bimetallic catalyst on gamma-alumina support was prepared by impregnation method and was reduced by sodium borohydride at room temperature. XRD and XPS characterization revealed that platinum was reduced to Pt-0 while, tin was probably partially reduced to Sn2+ due to the low temperature reduction method and Sn-0 was completely absent, avoiding the formation of P-Sn alloy. Pt-Sn/gamma-alumina (Pt 1\%, Sn 9\%) thus prepared was found to give almost complete selectivity to gamma-butyrolactone in liquid phase hydrogenation of diethyl succinate. A plausible reaction pathway is proposed involving Pt-O-Sn state and high selectivity to GBL is due to the Lewis acidity of Sn2+/4+ (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {bimetallic Pt-Sn catalyst, gamma-butyrolactone selectivity, liquid phase hydrogenation of diethyl maleate, XPS of Pt-Sn, XRD of Pt-Sn}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.06.026}, author = {Vaidya, S. H. and Rode, C. V. and Chaudhari, Raghunath V.} } @article { ISI:000252096700006, title = {Biochemical characterization of a novel beta-1-3, 1-4 glucan 4-glucanohydrolase from thermomonospora sp having a single active site for lichenan and xylan}, journal = {Biochimie}, volume = {89}, number = {12}, year = {2007}, month = {DEC}, pages = {1489-1497}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, type = {Article}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
A bifunctional high molecular weight (Mr, 64,500 Da) beta-1-3, 1-4 glucan 4-glucanohydrolase was purified to homogeneity from Thermomonospora sp., exhibiting activity towards lichenan and xylan. A kinetic method was used to analyze the active site that hydrolyzes lichenan and xylan. The experimental data was in agreement with the theoretical values calculated for a single active site. Probing the conformation and microenvironment at active site of the enzyme by fluorescent chemo-affinity label, OPTA resulted in the formation of an isoindole derivative with complete inactivation of the enzyme to hydrolyse both lichenan and xylan confirmed the results of kinetic method. OPTA forms an isoindole derivative by cross-linking the proximal thiol and amino groups. The modification of cysteine and lysine residues by DTNB and TNBS respectively abolished the ability of the enzyme to form an isoindole derivative with OPTA, indicating the participation of cysteine and lysine in the formation of isoindole complex. (C) 2007 Elsevier Masson SAS. All rights reserved.
}, keywords = {1-4 glucan 4-glucanohydrolase, beta-1-3, bifunctional, O-phthaialdehyde, single active site, Thermomonospora sp., Xylanase}, issn = {0300-9084}, doi = {10.1016/j.biochi.2007.06.010}, author = {Anish, Ramakrishnan and Rao, Mala} } @article {67}, title = {Biochemical characterization of an aspartic protease from vigna radiata: kinetic interactions with the classical inhibitor pepstatin implicating a tight binding mechanism}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1774}, number = {5}, year = {2007}, month = {MAY}, pages = {619-627}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
{Aspartic proteases are the focus of recent research interest in understanding the physiological importance of this class of enzymes in plants. This is the first report of an aspartic protease from the seeds of Vigna radiata. The aspartic protease was purified to homogeneity by fractional ammonium sulfate precipitation and pepstatin-A agarose affinity column. It was found to have a molecular weight of 67,406 Da by gel filtration chromatography. SDS-PAGE analysis revealed the presence of a heterodimer with subunits of molecular weights of 44,024 and 23,349 Da respectively. The enzyme was pH stable with the amino acid analysis confirming the molecular weight of the protein. The substrate cleavage site as analyzed by using the synthetic substrate was found to be the Phe-Tyr bond. The kinetic interactions of the enzyme were studied with the universal inhibitor, pepstatin A. This is the first report on the interactions of a plant aspartic protease with pepstatin-A, an inhibitor from a microbial source. A competitive one-step mechanism of binding is observed. The progress curves are time-dependent and consistent with tight binding inhibition. The K(i) value of the reversible complex of pepstatin with the enzyme was 0.87 mu M whereas the overall inhibition constant K(i)*
}, keywords = {ant colony, global optimization, metaheuristics, multimodal continuous functions, particle swarm optimization}, issn = {0096-3003}, doi = {10.1016/j.bbapap.2007.03.014}, author = {Kulkarni, Aarohi and Rao, Mala} } @inbook {42771, title = {Bioconjugation of soft nanomaterials}, booktitle = {Biomedical Nanostructures}, year = {2007}, pages = {61-91}, publisher = {John Wiley \& Sons, Inc.}, organization = {John Wiley \& Sons, Inc.}, address = {Hoboken, NJ, USA.}, doi = {10.1002/9780470185834.ch4}, author = {Singh, Neetu and Blackburn, William H. and Lyon, L. Andrew} } @article { ISI:000249553200007, title = {Bio-milling technique for the size reduction of chemically synthesized BiMnO3 nanoplates}, journal = {Journal of Materials Chemistry}, volume = {17}, number = {37}, year = {2007}, month = {AUG}, pages = {3910-3914}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Wet- chemical techniques for the synthesis of complex oxide materials have advanced significantly; however, achieving finely dispersed nanoparticles with sizes less than 10 nm still remains challenging, especially for the perovskite family of compounds. On the other hand, a fungusmediated synthesis technique has recently shown potential to synthesize perovskites such as BaTiO3 with sizes as small as 5 nm. Here we report, for the first time, the use of fungal biomass, at room temperature, to break down chemically synthesized BiMnO3 nanoplates ( size similar to 150 - 200 nm) into very small particles (, 10 nm) while maintaining their crystalline structure and the phase purity. This novel technique that we have named as {\textquoteleft}{\textquoteleft} bio- milling{\textquoteright}{\textquoteright} holds immense potential for synergically utilizing both chemical and biological synthesis techniques to synthesize complex oxide nanoparticles with particle sizes less than 10 nm with the proper crystalline phase.
}, issn = {0959-9428}, doi = {10.1039/b706154d}, author = {Mazumder, Baishakhi and Uddin, Imran and Khan, Shadab and Ravi, Venkat and Selvraj, Kaliaperumal and Poddar, Pankaj and Ahmad, Absar} } @article { ISI:000251244900035, title = {Biphasic hydroformylation of 1,4-diacetoxy-2-butene: a kinetic study}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {25}, year = {2007}, note = {Joint 6th International Symposium on Catalysis in Multiphase Reactors/5th International Symposium on Multifunctional Reactors (CAMURE-6/ISMR-5-), Pune, INDIA, JAN 14-17, 2007}, month = {DEC}, pages = {8629-8637}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Hydroformylation of 1,4-diacetoxy-2-butene was studied using a water-soluble Rh complex catalyst prepared in situ from [Rh(COD)Cl](2) complex and trisodium salt of tri-(m-sulfophenyl)phosphine (TPPTS) in a biphasic system. The sequence of addition of catalyst precursor, ligand, and reactant/solvent showed a significant effect on leaching of Rh from aqueous to organic phase, and hence, the procedure was optimized to develop a nonleaching and stable biphasic catalyst system. The only hydroformylation product (1,4-diacetoxy-2-formyl butane, DAFB) formed was found to deacetoxylate completely to 2-formyl-4-acetoxybutene (FAB), thus allowing a one-pot synthesis of FAB, an important intermediate for Vitamin A. Experimental data on the concentration-time and CO/H-2 consumption-time profiles were obtained, and the effects of DAB concentration, CO partial pressure, H-2 partial pressure, and catalyst concentration were studied in a stirred batch reactor over a temperature range of 338-358 K. The effect of aqueous phase holdup on the initial rate of hydroformylation and analysis of gas-liquid and liquid-liquid mass transfer effects were also investigated to identify the reaction rate data operating in a kinetic regime. A rate equation based on the known hydroformylation reaction mechanism was used to fit the experimental rate data and to evaluate kinetic parameters. The agreement between the model prediction and the experimental data was found to be excellent. The activation energy was calculated as 30.1 kJ/mol. The biphasic catalyst system reported here is not only efficient for catalyst-product separation but also provides a tandem synthesis of Vitamin A intermediate, FAB.
}, issn = {0888-5885}, doi = {10.1021/ie0700821}, author = {Chansarkar, Rashmi and Kelkar, Ashutosh A. and Chaudhari, Raghunath V.} } @article { ISI:000243655000034, title = {Blocking effects in irreversible adsorption of linear macromolecules}, journal = {Surface Science}, volume = {601}, number = {1}, year = {2007}, month = {JAN}, pages = {274-279}, publisher = {ELSEVIER SCIENCE BV}, type = {JAN}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{A new variant of random sequential adsorption (RSA), namely random sequential ballistic adsorption (RSBA), is proposed to explore the possible role of blocking effects in the adsorption dynamics of ballistically arriving objects. These objects upon adsorption can protrude outside the substrate and in turn can obstruct and hence reject the adsorption of newly arriving objects. Adsorption of linear macromolecules (modeled as infinitesimally thin needles), on a two-dimensional continuum substrate is studied using RSBA model. It is shown analytically that in late time regime, the number n(t) of adsorbed objects at time t follows a power law n(t) similar to t(alpha), as in RSA, but with a different exponent
}, keywords = {Adsorption, adsorption kinetics, Monte Carlo simulations, random sequential adsorption (RSA)}, issn = {0039-6028}, doi = {10.1016/j.susc.2006.09.031}, author = {Shelke, Pradip B. and Banpurkar, Arun G. and Ogale, S. B. and Limaye, A. V.} } @article { ISI:000250456600004, title = {Bowman-birk protease inhibitor from the seeds of vigna unguiculata forms a highly stable dimeric structure}, journal = {Biochimica et Biophysica Acta-Proteins and Proteomics}, volume = {1774}, number = {10}, year = {2007}, month = {OCT}, pages = {1264-1273}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Different protease inhibitors including Bowman-Birk type (BBI) have been reported from the seeds of rigna unguiculata. Protease isoinhibitors of double-headed Bowman-Birk type from the seeds of Vigna unguiculata have been purified and characterized. The BBI from Vigna unguiculata (Vu-BBI) has been found to undergo self-association to form very stable dimers and more complex oligomers, by size-exclusion chromatography and SDS-PAGE in the presence of urea. Many BBIs have been reported to undergo self-association to form homodimers or more complex oligomers in solution. Only one dimeric crystal structure of a BBI (pea-BBI) is reported to date. We report the three-dimensional structure of a Vu-BBI determined at 2.5 A resolution. Although, the inhibitor has a monomer fold similar to that found in other known structures of Bowman-Birk protease inhibitors, its quaternary structure is different from that commonly observed in this family. The structural elements responsible for the stability of monomer molecule and dimeric association are discussed. The Vu-BBI may use dimeric or higher quaternary association to maintain the physiological state and to execute its biological function. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Bowman-Birk protease inhibitor, plant protease inhibitor, protein-protein interaction, Vigna unguiculata}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2007.07.009}, author = {Rao, K. N. and Suresh, C. G.} } @article { ISI:000245350600013, title = {Butylation of toluene: influence of zeolite structure and acidity on 4-tert-butyltoluene selectivity}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {265}, number = {1-2}, year = {2007}, month = {MAR}, pages = {109-116}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Vapour phase alkylation of toluene with tert-butyl alcohol was studied over the large pore zeolites H beta, HY and HMCM-22. The influence of the acidity, reaction temperature, run duration, feed rate (WHSV) and molar ratio of the reactants on conversion of toluene and selectivity for 4-tertbutyl toluene was studied. Among the isomers formed during the reaction, the para-isomer was the predominant one, followed by the meta-isomer, while no ortho-isomer was found in the products due to steric factors. 4-tert-Butyl toluene selectivity decreases at higher temperatures, while going through a maximum in the 413-433 K temperature range. Zeolite HY with a high silica to alumina ratio (SiO2/Al2O3 = 80), that has strong acidity, but lower acid site density, possesses high activity for toluene conversion, high alkylation selectivity and also high para-selectivity. The improved para-selectivity of high silica HY zeolite is attributed to the low isomerization activity that results in the suppression of the secondary isomerization of 4-tert-butyl toluene. Both alkylation and selectivity are higher with feed mixtures containing a lower fraction of tert-butyl alcohol. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {4-t-butyltoluene, Acidity, butylation, large pore zeolites, Toluene}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.09.046}, author = {Pai, Shivanand and Gupta, Upendranath and Chilukuri, Satyanarayana V.} } @article { ISI:000250183300024, title = {Carbohydrate based approach towards the synthesis of aspercyclide C}, journal = {Tetrahedron Letter}, volume = {48}, number = {42}, year = {2007}, month = {OCT}, pages = {7524-7527}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A formal total synthesis of aspercyclide C (3) is described in which D-ribose is employed as a chiral pool material. The key step is a ring closing metathesis. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {chiron approach, D-ribose, Mukaiyama reagent, ring closing metathesis (RCM), Ullmann coupling}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.08.050}, author = {Ramana, C. V. and Mondal, Mohabul A. and Puranik, Vedavati G. and Gurjar, Mukund K.} } @article { ISI:000249949800020, title = {Catalytic performances of silicotungstic acid/zirconia supported SBA-15 in an esterification of benzyl alcohol with acetic acid}, journal = {Journal of Molecular Catalysis A-Chemical }, volume = {276 }, number = {1-2}, year = {2007}, month = {OCT}, pages = {150-157}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Liquid phase esterification of benzyl alcohol (BA) to benzyl acetate (Peach fragrance) with an acetic acid (AA) has been investigated with 12-silicotungstic acid supported on zirconia embedded inside SBA-15 (STA/ZrO2/SBA- 15) as the catalyst. Catalysts were unambiguously characterized by XRD, N-2 adsorption-desorption, FF-IR pyridine adsorption techniques and the total amount of acidity of different STA loaded catalysts was estimated by TPD of NH3. The optimization of reaction conditions of an esterification of BA with AA was performed with 15 wt.\% STA/22.4 wt.\% ZrO2/SBA-15 calcined at 1123 K by varying catalyst concentration (1-10 wt.\% of reaction mixture); temperature, 353-383 K and AA:BA molar ratio as 0.5-3. The 15 wt.\% STA/22.4 wt.\% ZrO2/SBA-15 calcined at 1123 K was found to have the highest acidity and more active in the reaction. Under the optimized reaction conditions, the 15 wt.\% STA/22.4 wt.\%ZrO2/SBA-15 calcined at 1123 K gave 59\% BA conversion with selectivity for benzyl acetate as high as 96\% within 2 h of reaction time. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {12-silicotungstic acid, Benzyl acetate, Benzyl alcohol, Esterification, SBA-15}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.07.001}, author = {Sawant, Dhanashri P. and Vinu, A. and Justus, Josena and Srinivasu, P. and Halligudi, Shivaraj B.} } @article { ISI:000252406100012, title = {CdS quantum dots: enzyme mediated in vitro synthesis, characterization and conjugation with plant lectins}, journal = {Journal of Biomedical Nanotechnology}, volume = {3}, number = {4}, year = {2007}, month = {DEC}, pages = {406-413}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
This paper presents the in vitro synthesis of CdS quantum dot nanoparticles using sulphite reductase and capping peptide in the presence of a co-factor alpha-NADPH, their characterization and conjugation with plant lectins, Jacalin and Chick pea lectin. Incubation of sulphite reductase with aqueous CdCl2, Na2SO3, and capping peptide in the presence of a-NADPH, which acts as a co-factor, resulted in the formation of CdS nanoparticles of dimensions 5-20 nm. These CdS nanoparticles were conjugated with plant lectins by EDAC mediated coupling. These observations are of significance, as it will help in the development of eco-friendly process for the formation of CdS nanoparticles and their application as fluorescent biolabels. Moreover the above studies will also help in designing a rational enzymatic strategy for the synthesis of nanomaterials of different chemical composition, shapes and sizes as well as their separation.
}, keywords = {bio-label, CdS quantum dots, conjugation, Enzyme, in vitro synthesis, Nanoparticles}, issn = {1550-7033}, doi = {10.1166/jbn.2007.045}, author = {Ansary, Abu Ayoobul and Kumar, S. Anil and Krishnasastry, M. V. and Abyaneh, Majid Kazemian and Kulkarni, Sulabha K. and Ahmad, Absar and Khan, Mohammad Islam} } @proceedings { ISI:000291657600151, title = {Ce-Al-MCM-41: an efficient catalyst for Mukaiyama-Michael reaction}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1161-1166}, publisher = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {
The activity of cerium containing Al-MCM-41 mesoporous materials has been studied for carbon-carbon bond formation reaction like Mukaiyama-Michael reaction under mild liquid phase conditions. The catalysts were synthesized by hydrothermal method at 383 K for 24-36 h in Teflon-lined autoclave and characterized thoroughly by XRD, UV-VIS, TEM, EPR, XPS, (27)Al NMR, NH(3)-TPD, pyridine-IR and AAS in order to obtain well-ordered M41S type materials. The Mukiayama-Michael reactions between silyl enol ether and alpha,beta-unsaturated ketones give Michael product in very good yields (100\% selectivity). The catalysts were reusable.
}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Kalita, Pranjal and Kumar, Rajiv}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000243819800025, title = {Central core of uprolides D and E: a survey of some ring closing metathesis approaches}, journal = {Tetrahedron Letter}, volume = {48}, number = {6}, year = {2007}, month = {FEB}, pages = {1013-1016}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A preliminary study dealing with the feasibility of ring closing metathesis and ene-yne ring closing metathesis to construct the central bicyclic cores of uprolides D and E was investigated. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {cembranolides, ene-yne metathesis, Ring closing metathesis, Sharpless asymmetric epoxidation, uprolides D and E}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.176}, author = {Ramana, C. V. and Salian, Sumanth R. and Gurjar, Mukund K.} } @article { ISI:000246341400004, title = {Cephalexin-mediated synthesis of quasi-spherical and anisotropic gold nanoparticles and their in situ capping by the antibiotic}, journal = {Journal of Physical Chemistry C }, volume = {111}, number = {19}, year = {2007}, month = {MAY}, pages = {6933-6938}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Here we report, for the first time, synthesis of gold nanostructures in aqueous medium by reducing gold ions using cephalexin, a potent broad-spectrum antibiotic, where the morphology of the gold nanoparticles is found to be dependent on the concentration of chloroauric acid. The characterization techniques indicate that particle surfaces are coated with the robust layer of the antibiotic making them stable for a long time. Thus, cephalexin acts as both the reducing and the capping agent. NMR and XPS analysis indicate that the sulfur moiety is responsible for the reduction and binding process.
}, issn = {1932-7447}, doi = {10.1021/jp067645r}, author = {Jagannathan, Ramya and Poddar, Pankaj and Prabhune, Asmita} } @article {52}, title = {Characterization and catalytic activity of cobalt containing MCM-41 prepared by direct hydrothermal, grafting and immobilization methods}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {266}, number = {1-2}, year = {2007}, month = {APR}, pages = {118-130}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{Cobalt containing hexagonal mesoporous molecular sieves (MCM-41) were prepared by different methods viz., direct hydrothermal synthesis, grafting and immobilization. The calcined material was characterized by various spectroscopic tools such as powder X-ray diffraction (XRD), N-2 adsorption-desorption isotherms, Fourier transformed infra-red (Fr-IR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), diffuse reflectance UV-vis and X-ray photoelectron spectroscopy (XPS). The XRD patterns show the highly intense (100) reflection peak in the range 2-3 degrees (2 theta angle), characteristic of mesoporous material. Higher order reflection peaks suggest highly ordered mesoporous structure. N2 adsorption-desorption isotherms are of type IV according to IUPAC classification and the steep rise in the isotherms in the narrow range 3.5-4.5 of relative pressure (P/P-0) is due to the condensation of N-2 gas molecules in the pores (characteristic of mesoporous structure). In FT-IR increase in the intensity of band at 960 cm(-1) with the increase of the cobalt content in Co-MCM-41 samples indicate the incorporation of cobalt ions in the framework of MCM-41. SEM and TEM reveal spherical morphology for the cobalt substituted MCM-41. UV-vis spectra demonstrate the characteristic features of framework and extraframework cobalt in MCM-41. Cobalt is in +2 oxidation state as evidenced from UV-vis and XPS. The catalysts were tested for the side chain oxidation of ethylbenzene using 70 wt.\% tert-butyl hydrogen peroxide as an oxidant with and without the use of solvent. Solvents have effect in the catalytic activity and selectivity. In the absence of solvent, substituted cobalt [
}, keywords = {2-butanol, cyclohexanone, Mesoporous molecular sieves, MPV reduction}, issn = {1381-1169}, doi = { 10.1016/j.molcata.2006.09.031}, author = {Bhoware, Shrikant S. and Singh, A. P.} } @article {43076, title = {Characterization of nano-sized CdS-Ag2S core-shell nanoparticles using XPS technique}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {293}, year = {2007}, month = {FEB}, pages = {5-12}, abstract = {
This paper reports the use of X-ray photoelectron spectroscopy (XPS) method for the characterization of surface composition of core and shell nanoparticles. The core and shell nanoparticles were synthesized using sodium bis(2-ethylhexyl) sulfosuccinate (AOT)/n-heptane/water microemulsion technique. The post-core and partial microemulsion methods have shown promise for core and shell formation and enhanced stability and sphericity of the semiconductor nanoparticles. In addition to above technique, the core-shell nanoparticles have also been characterized using SEM-elemental detection X-ray analysis (EDAX) and results are discussed. The XPS studies of US, Ag2S, and CdS-Ag2S nanoparticles prepared by post-core/partial microemulsion methods were carried out and results are compared with physical mixing of US and Ag2S nanoparticles. The Ag/Cd atomic ratio is found to be 5 and 10 as determined by XPS methods for nanoparticles prepared by using post-core and partial microemulsion methods, respectively. These results show the formation of core and shell nanoparticles. (c) 2006 Elsevier B.V. All rights reserved.
}, doi = {10.1016/j.colsurfa.2006.06.036}, author = {Hota, G. and Idage, Susheela B. and Khilar, Kartic C.} } @article { ISI:000244404400002, title = {Characterization of the proteins of bacterial strain isolated from contaminated site involved in heavy metal resistance - a proteomic approach}, journal = {Journal of Biotechnology}, volume = {128}, number = {3}, year = {2007}, month = {FEB}, pages = {444-451}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The present study describes response of a bacterial strain isolated from a polluted river to heavy metal toxicity. The bacterium was identified to be Klebsiella pneumoniae by biochemical tests using API 20E strips and 16S ribotyping. The isolate was studied for its tolerance to two heavy metals, i.e., cobalt (Co2+) and lead (Pb2+) by growing it in citrate mineral medium (CMM). Proteomic approach involving two-dimensional polyacrylamide gel electrophoresis (2D PAGE) and mass spectrometry (MS) was used to identify the differentially expressed proteins under heavy metal stress. Two of the differentially expressed proteins were identified to be L-isoaspartate protein carboxymethyltransferase type II and DNA gyrase A. To our knowledge, this is for the first time that K pneumoniae has been reported to be present in metal contaminated site and L-isoaspartate protein carboxymethyltransferase type II protein to be over expressed under heavy metal stress. The role of these proteins in metal tolerance is discussed. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {2D PAGE, heavy metal toxicity, Mass spectrometry}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2006.11.010}, author = {Bar, Chinmayee and Patil, Rajendra and Doshi, Jignesh and Kulkarni, Mahesh J. and Gade, Wasudeo N.} } @article { ISI:000244890900006, title = {Chemical, thermal and pH-induced equilibrium unfolding studies of fusarium solani lectin}, journal = {IUBMB Life}, volume = {59}, number = {1}, year = {2007}, month = {DEC}, pages = {34-43}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
The effect of urea, guanidine thiocyanate, temperature and pH was studied on the conformational stability of Fusarium solani lectin. Equilibrium unfolding with chemical denaturants showed that the lectin was least stable at pH 12 and maximally stable at pH 8.0 near its pI ( 8.7). Guanidine thiocyanate ( the concentration of denaturant at which the protein is half folded, D-1/2 = 0.49 M at pH 12) was found to be an eight times stronger denaturant than urea (D-1/2 = 3.88 M at pH 12). The unfolding curves obtained with fluorescence and CD measurements showed good agreement indicating a monophasic nature of unfolding and excluded the possibility of formation of any stable intermediate. The effect of pH on the lectin was found to be unusual as at acidic pH, the lectin showed a flexible tertiary structure with pronounced secondary structure, and retained its hemagglutinating activity. On the other hand, the lectin did not show any loss of conformation or activity upto 70 degrees C for 15 min. Moreover, thermal denaturation did not result in the aggregation or precipitation of the protein even at high temperatures. Thermal denaturation was also carried out in the presence of a low concentration of guanidine thiocyanate. Change in the enthalpy of transition (Delta H-m) varied linearly with transition temperature (T-m), which indicated that the heat capacity (Delta C-p =3.95 kJ (.) mol(-1) (.) K-1) of the lectin remained constant during the unfolding.
}, keywords = {Denaturation, Fusarium solani, guanidine, Lectin, thermal, Unfolding}, issn = {1521-6543}, doi = {10.1080/15216540601178075}, author = {Khan, Feroz and Ahmad, Absar and Khan, Mohammad Islam} } @conference { ISI:000291657600157, title = {Chemoselective alkane oxidations by reactive superoxovanadium(V) species in vanadosilicate molecular sieves}, booktitle = {From ZEOLITES to Porous Mof Materials: The 40th Anniversary of International ZEOLITE Conference, Proceedings of The 15th International ZEOLITE Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1205-1212}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {
Unlike their titanium analogs, vanadosilicate molecular sieves catalyze the oxidation of the terminal (primary) C-H bonds in paraffins. This dissimilarity is attributed to differences in the type of reactive superoxo species generated on contact with oxidant. The latter were identified and characterized by in situ EPR and DRUV-vis spectroscopic techniques. By a suitable choice of silicate structure (VS-1 or V-MCM-41), solvent and oxidant (H(2)O(2), tert.-butyl hydroperoxide or H(2)+O2()), the V-O bond covalency and mode of O-O bond cleavage in the oxo-species and thereby, the chemoselectivity in the oxidation of the terminal carbon atoms in paraffins could be controlled.
}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Srinivas, D. and Ratnasamy, P.}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000250698400015, title = {Cholesterol-linked beta-cyclodextrin - a thermotropic liquid-crystalline derivative}, journal = {Bulletin of the Chemical Society of Japan }, volume = {80}, number = {10}, year = {2007}, month = {OCT}, pages = {1975-1980}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
Liquid-crystalline derivative of ss-cyclodextrin (BCD) was prepared by covalent linking of monocholesteryl succinate (ChMS) with ss-cyclodextrin. To the best of our knowledge, this was first ever attempt so far of its kind, in which BCD has been converted into its liquid-crystalline derivative through covalent linkage of a mesogen. The degree of substitution (DS) obtained was approximate to 2.00. The product was characterized by various techniques, such as FT-IR, NMR, DSC, hot-stage-coupled optical polarizing microscopy (OPM), microanalysis and chemical methods. Cholesterol-linked ss-cyclodextrin (CDCh) derivative was found to exhibit thermotropic liquid-crystalline behavior. The product exhibited birefringence during first heating above 130 degrees C, and it became isotropic at about 180 degrees C, whereas the parent compound BCD decomposed without melting above 250 degrees C. A comparison of CDCh derivative to similar liquid-crystalline polysaccharide derivatives is presented.
}, issn = {0009-2673}, doi = {10.1246/bcsj.80.1975}, author = {Shaikh, Vasi Ahmed Ebrahim and Lonikar, Shrikant Vitthal and Dhoble, Deepa Arun and Pawar, G. M.} } @article { ISI:000244144700016, title = {Chromium-containing small pore mesoporous silicas: synthesis, characterization and catalytic behavior in the liquid phase oxidation of cyclohexane}, journal = {Applied Catalysis A-General}, volume = {318}, year = {2007}, month = {FEB}, pages = {128-136}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Organic-inorganic hybrid mesoporous silica materials containing chromium and various organo trialkoxysilanes (chloropropyl, vinyl, methyl) were prepared by the co-condensation method, in the presence of cetyl trimethyl ammonium surfactants. The hybrid material, containing chromium, retains one X-ray diffractogram (XRD) peak up to a molar ratio of 1: 1 between tetra ethyl orthosilicate (TEOS) and organosilane in the synthesis gel. Small pore mesoporous chromium-silica samples can be prepared from the large pore hybrid mesoporous chromium samples by calcination. By this method, the pore size of the material can be tailored into the supermicroporous region, without changing the chain length of the surfactant used in the assembly process, as judged from the XRD and N-2 sorption isotherms. The shrinkage in pore size is dependent on the nature and percentage of the organic pendant groups, such that the chloro propyl and vinyl pendant mesoporous material show more pore size shrinkage than the smaller methyl pendant units. Because of the tailorable pore size and with better textural characteristics, the chromium samples show better catalytic activity in the aerial oxidation reaction of cyclohexane than the conventional chromium-containing mesoporous material, like Cr-MCM-41, under a solvent free system. Among the porous chromium catalysts, the samples prepared using chloro propyl silane show higher cyclohexane conversion and cyclohexanone selectivity and behave as a true heterogeneous catalyst. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {chromium, Cyclohexane, Oxidation, small pore silicas}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.10.046}, author = {Shylesh, S. and Samuel, Prinson P. and Singh, A. P.} } @article {sanjayan, title = {CO2 reforming of methane to syngas over highly active and stable supported CoOx (accompanied with MgO, ZrO2 or CeO2) catalysts}, journal = {Applied Catalysis A-General}, volume = {316}, number = {1}, year = {2007}, month = {JAN}, pages = {47-52}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
{Catalytically inactive CoOx-MgO (calcined at 900 degrees C) becomes highly active and selective in the CO2 reforming of methane to syngas when it is deposited on a commercial low surface-area macro-porous silica-alumina support (SA-5205) or when CoOx is deposited on the support precoated with MgO. Both the supported CoOx and MgO containing catalysts (CoOx -MgO/SA-5205 and CoOx/MgO/SA-5205) show high methane conversion (\> 98\%) activity and H-2 selectivity (\> 94\%) and also high stability against carbon deposition [
}, keywords = {arylboronic acids, diarylmethylidenefluorene, dibromomethylidenefluorene, Pd-mediated coupling, Suzuki reaction}, issn = {0936-5214}, doi = { 10.1016/j.apcata.2006.09.016}, author = {Mondal, Kartick C. and Choudhary, Vasant R. and Joshi, Upendra A.} } @article { ISI:000251244900014, title = {Cobalt-salen intercalated montmorillonite catalyst for air oxidation of p-cresol under mild conditions}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {25}, year = {2007}, note = {Joint 6th International Symposium on Catalysis in Multiphase Reactors/5th International Symposium on Multifunctional Reactors (CAMURE-6/ISMR-5-), Pune, INDIA, JAN 14-17, 2007}, month = {DEC}, pages = {8413-8419}, publisher = {AMER CHEMICAL SOC}, type = {Article, Proceedings Paper}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Air oxidation of p-cresol under very mild conditions (338 K and ambient pressure) was carried out in a semibatch reactor over a solid catalyst developed by intercalating cobalt-salen into the montmorillonite clay. The intercalation of cobalt - salen was done by a simple protocol, and the characterization of the intercalated catalyst was done by XPS, FTIR, and XRD techniques. A total selectivity \>= 90\% to the oxidation products could be achieved with this solid catalyst by eliminating the undesired coupling side products in air oxidation of p-cresol under ambient pressure conditions. Effect of various process parameters on the conversion and selectivity pattern were also studied, and it was found that the selectivity ratio of aldehyde to alcohol could be varied by suitably changing the reaction conditions. This heterogeneous catalyst was found to give a 5-fold higher turnover number than the homogeneous cobalt - salen complex.
}, issn = {0888-5885}, doi = {10.1021/ie07.00720}, author = {Rode, Chandrashekhar V. and Kshirsagar, Vikas S. and Nadgeri, Jayprakash M. and Patil, Kashinath R.} } @article {43396, title = {Comparative catalytic activity of Mn(Salen) complexes grafted on SBA-15 functionalized with amine, thiol and sulfonic acid groups for selective aerial oxidation of limonene}, journal = {Microporous and Mesoporous Materials}, volume = {104}, year = {2007}, month = {AUG}, pages = { 225-235}, abstract = {SBA-15 molecular sieves were functionalized with propylamine, propylthiol and propylsulfonic acid groups. Mn(Salen)Cl complexes were grafted on these organo-functionalized SBA-15. The support and the type of organo-functional group influenced the electronic structure (oxidation state and redox behavior) and chemo selectivity of the Mn-complexes in the oxidation of limonene. The Mn ions were reduced from +3 to +2, the extent of this reduction on different supports decreasing in the order: SBA- 15-pr-SH > SBA- 15-prSO(3)H > SBA-15-pr-NH2- Mn(Salen)Cl supported on propylthiol-functionalized SBA-15 yielded the 1,2-limonene epoxide with 100\% chemo- and regioselectivity. Higher electron density at the site of Mn ions and the consequent lower redox potential of the Mn-complexes on immobilization are the probable causes for their efficient and selective catalytic activity. Solvents, additives (N-MeIm) and co-reagents (iso-butyraldehyde), which facilitated formation of Mn2+ ions, enhance the catalytic activity. A part of the Mn complexes was leached out of the solid phase during the reaction and the extent of this with different catalysts decreased in the order: SBA-l5-pr-NH2-Mn(Salen)Cl > SBA- 15-pr-SO3H-Mn(Salen)Cl > SBA- 15-pr-SH-Mn(Salen)Cl. (C) 2007 Elsevier Inc. All rights reserved}, doi = {10.1016/j.micromeso.2007.02.026}, author = {Salkia, Lakshi and Srinivas, Darbha and Ratnasamy, Paul} } @article { ISI:000251714500004, title = {Complex carbohydrate specificity of lectin from fruiting body of ganoderma lucidum. a surface plasmon resonance study}, journal = {IUBMB Life}, volume = {59}, number = {12}, year = {2007}, month = {JAN}, pages = {758-764}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The thermodynamics and kinetics of binding of glycans and glycoproteins to Ganoderma lucidum lectin was studied using surface plasmon resonance. The lectin showed highest affinity for asialo triantennary N glycan (Ka = 3.52 x 10(5)) among the glycans tested. There was a several fold increase in affinity for glycoproteins compared to their corresponding glycans and coincident increase in contribution from enthalpy (Delta H), suggesting the involvement of hydrogen bonding in the interaction as well as involvement of protein-protein interactions. Increased affinity also showed increase in unfavorable negative binding entropy (Delta S) which was compensated with higher enthalpy. The glycoproteins showed faster association rates (k(1)) and the activation energy (E-1(double dagger)) in the association process was much lower for the glycoproteins than glycans, resulting in their faster associations. These observations elaborate the role of protein matrix in lectin-glycoconjugate interaction.
}, keywords = {ganoderma lucidum, glycans, Lectin, SPR}, issn = {1521-6543}, doi = {10.1080/15216540701663463}, author = {Thakur, Atul and Pal, Lakhan and Ahmad, Absar and Khan, Mohammad Islam} } @article { ISI:000244054900016, title = {Concise synthesis of beta-blockers (S)-metoprolol and (S)-betaxolol using hydrolytic kinetic resolution}, journal = {Tetrahedron}, volume = {63}, number = {8}, year = {2007}, month = {FEB}, pages = {1872-1876}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Enantiopure (S)-metoprolol and (S)-betaxolol were prepared in an extremely simple and practical way using Jacobsen{\textquoteright}s hydrolytic kinetic resolution of terminal epoxides in isopropanol. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {beta-blockers, betaxolol, Hydrolytic kinetic resolution, metoprolol}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.12.016}, author = {Muthukrishnan, Murugan and Garud, Dinesh R. and Joshi, Rohini R. and Joshi, Ramesh A.} } @article { ISI:000251507000029, title = {Concise synthesis of (-)-deoxoprosopinine}, journal = {Synlett}, number = {18}, year = {2007}, month = {NOV}, pages = {2894-2896}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A simple and highly efficient approach to (-)-deoxoprosopinine from racemic epoxide as a starting material is described employing a Jacobsen{\textquoteright}s hydrolytic kinetic resolution (HKR) and Sharpless asymmetric dihydroxylation (AD) as key steps.
}, keywords = {hydroboration-oxidation, Jacobsen{\textquoteright}s HKR, Piperidine alkaloids, sharpless AD, Total synthesis}, issn = {0936-5214}, doi = {10.1055/s-2007-991056}, author = {Pandey, Satyendra Kumar and Kumar, Pradeep} } @article {42585, title = {Conductance switching in an organic material: from bulk to monolayer}, journal = {Langmuir}, volume = {23}, year = {2007}, month = {SEP}, pages = {9831-9835}, type = {Article}, abstract = {
Fluorescein sodium, which does not exhibit electrical bistability in thin films, can be switched to a high conducting state by the introduction of carbon nanotubes as channels for carrier transport. Thin films based on fluorescein sodium/carbon nanotubes display memory switching phenomenon among a low conducting state and several high conducting states. Read-only and random-access memory applications between the states resulted in multilevel memory in these systems. Results in thin films and in a monolayer (deposited via layer-by-layer assembly) show that instead of different molecular conformers, multilevel conducting states arise from the different density of high conducting fluorescein molecules.
}, doi = {10.1021/la701132f}, author = {Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000250092000010, title = {Confinement of nano CdS in designated glass: a novel functionality of quantum dot-glass nanosystems in solar hydrogen production}, journal = {Journal of Materials Chemistry}, volume = {17}, number = {40}, year = {2007}, month = {AUG}, pages = {4297-4303}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The present work is the investigation of our novel approach to designing quantum dot-glass nanosystems by confining nano CdS in designated glass and the first employment of such a quantum dot system in solar hydrogen production. The CdS quantum dots were grown in a special glass matrix, which involved a sequence of steps. The obtained glass was of uniformly bright yellow in color and the bulk glass was pulverized to a fine powder of micron size particles. The glass powder was characterized structurally and morphologically. X-Ray diffraction and electron diffraction patterns reveal a hexagonal crystallite system for the CdS quantum dots. Field emission scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, X-ray fluorescence spectroscopy and chemical leaching with HCl studies demonstrate that the 2.5 nm size CdS quantum dots distribute homogeneously in a monodispersed form in the glass domain and on the surface with a {\textquoteleft}{\textquoteleft}partially embedded exposure{\textquoteright}{\textquoteright} configuration. This disposition imparts an excellent photostability against photocorrosion and also a facile catalytic function. Therefore, even a very small amount of CdS quantum dots (0.005 g per gram of glass powder) is able to photodecompose H2S under visible light (lambda \>= 420 nm) both in alkaline and pure aqueous media and produce solar hydrogen with markedly high quantum yields of 17.5 and 11.4\%, respectively at 470 nm. Salient features like reusability after simple washing, corrosionless-stability and remarkable catalytic activity of this quantum dot-glass nanosystem are brought forth by our novel catalyst design and are much acclaimed in large scale solar H-2 production.
}, issn = {0959-9428}, doi = {10.1039/b708269j}, author = {Kale, Bharat B. and Baeg, Jin-Ook and Apte, Sanjay K. and Sonawane, Ravindra S. and Naik, Sonali D. and Patil, Kashinath R.} } @conference { ISI:000252146200027, title = {Constrained variational response to fock-space multi-reference coupled-cluster theory: formulation for excited-state electronic structure calculations and some pilot applications}, booktitle = {Computational Methods in Science and Engineering Vol 1: Theory and Computation: Old Problems and New Challenges}, series = {AIP CONFERENCE PROCEEDINGS}, volume = {963}, year = {2007}, note = {International Conference on Computational Methods in Science and Engineering, Corfu, GREECE, SEP 25-30, 2007}, month = {SEP}, pages = {337-344}, publisher = {European Soc Computat Methods Sci \& Engn; Minist Natl Educ \& Religious Affairs; E4 Comp Engn}, organization = {European Soc Computat Methods Sci \& Engn; Minist Natl Educ \& Religious Affairs; E4 Comp Engn}, address = {2 Huntington Quadrangle, Ste 1no1, Melville, NY 11747-4501 USA}, abstract = {
Fock-space (FS) multi-reference (MR) coupled-cluster (CC) method has emerged as compact tool to account for electronic structure of open-shell systems and molecules in low-lying excited states. Development of linear response (LR) has been one of the challenging problems in FSMRCC due to multiple-root nature of effective Hamiltonian. The recently developed constrained variational approach (CVA) has opened up a promising tool for efficient evaluation of analytic response properties. In this article, we present formulation of the method for excited state calculations. We discuss the decoupling of equations as a result of spin-adaptation and present some preliminary results for analytical dipole moments and polarizabilities of some molecules in low-lying triplet excited states.
}, keywords = {CVA, Dipole moment, excited states, FSMRCC, polarizability}, isbn = {978-0-7354-0477-9}, issn = {0094-243X}, author = {Manohar, Prashant Uday and Pal, Sourav}, editor = {Maroulis, G and Simos, TE} } @article {42683, title = {Controlled aggregation of gold nanoparticle networks induced by alkali metal ions}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {7}, year = {2007}, month = {AUG}, pages = {2683-2689}, type = {Article}, abstract = {
Gold nanoparticle networks were obtained by linking them with cysteine modified triethyleneglycols. The oligo-ether linker molecule initially having a linear structure probably adopts a crown ether type structure upon complexation with alkali metal ions that leads to a controlled aggregation of the network. The extent of aggregation depends on the degree of conformational change in the molecule upon complexation with the metal ion, which in turn is governed by the metal ion radius leading to a dependence of red shift of the surface plasmon resonance on the metal ion radius. Since this network is present in the organic solvent they also act as phase transferring agent for the alkali metal ions from aqueous to organic media.
}, keywords = {Aggregation; Alkali Metal Ions; Au Nanoparticles; Crown Ether; Surface Plasmon Resonance}, doi = {10.1166/jnn.2007.612}, author = {Tamang, Sudarsan and Hotha, Srinivas and Bhagavatula L. V. Prasad} } @article { ISI:000251733600003, title = {Controlled covalent functionalization of multiwalled carbon nanotubes using [4+2] cycloaddition of benzocyclobutenes}, journal = {Chemistry of Materials}, volume = {19}, number = {26}, year = {2007}, month = {DEC}, pages = {6370-6372}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0897-4756}, doi = {10.1021/cm702470x}, author = {Sakellariou, Georgios and Ji, Haining and Mays, Jimmy W. and Hadjichristidis, Nikos and Baskaran, Durairaj} } @article { ISI:000245141300021, title = {Controlled synthesis of low-molecular-weight polyethylene waxes by titanium-biphenolate-ethylaluminum sesquichloride based catalyst systems}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {3}, year = {2007}, month = {MAY}, pages = {1531-1539}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Soluble complexes of titanium(IV) bearing sterically hindered biphenols, such as biphenol, 1,1{\textquoteright}-methylene di-2-naphthol, 2,2{\textquoteright}-methylene bis(4-chlorophenol), 2,2{\textquoteright}-methylene bis(6-tert-butyl-4-ethyl phenol), and 2,2{\textquoteright} ethylidene bis(4,6-di-tert-butyl phenol), were prepared and characterized. These catalyst precursors, formulated as [Ti((OO)-O-boolean AND)X-2], were active in the polymerization of ethylene at high temperatures in combination with ethylaluminum sesquichloride as a cocatalyst. The ultra-low-molecular-weight polyethylenes (PEs) were linear and crystalline and displayed narrow polydispersities. The catalytic polymerization leading to PE waxes in this reaction exhibited unique properties that have potential applications in surface coatings and adhesive formulations. (c) 2007 Wiley Periodicals, Inc.
}, keywords = {Catalysts, polyethylene (PE), synthesis, Ziegler-Natta polymerization}, issn = {0021-8995}, doi = {10.1002/app.25525}, author = {Umare, Prashant S. and Rao, Karumanchi and Tembe, Gopal L. and Dhoble, Deepa Arun and Trivedi, Bhavna} } @article {42731, title = {Convenient chromatography-free access to enantio-pure 6,6{\textquoteright}-di-tert-butyl-1,1{\textquoteright}- binaphthalene-2,2{\textquoteright}-diol- its 3,3{\textquoteright}-dibromo, di-tert-butyl and phosphorus derivatives: utility in asymmetric synthesis}, journal = {Tetrahedron-Asymmetry}, volume = {18}, year = {2007}, month = {SEP}, pages = { 2037{\textendash}2048}, type = {Article}, abstract = {
A simple chromatography-free high-yielding synthesis of the hexane-soluble enantiopure 6,6'-di-tert-butyl-1,1'-binaphthalene-2,2'-diol 3 (6,6'-di-tert-butyl BINOL) using Friedel{\textendash}Crafts reaction on 1,1'-binaphthalene-2,2'-diol 1 (BINOL) is described. The enantiomeric purity was fully maintained in the reaction. Compound 3 has been used as an entry point for the convenient chromatography-free synthesis of 3,3',6,6'-tetra-tert-butyl BINOL 4 and 3,3'-dibromo-6,6'-di-tert-butyl BINOL 5. A straightforward route to enantiopure bisphosphites [(6,6'-R2C20H10O2)P]2[O2C20H10-6,6'-R2] [R = H 15, t-Bu 16] by simply reacting phosphorochloridite (6,6'-R2C20H10O2)PCl [R = H 20, t-Bu 6] with metallic sodium is highlighted. The identity of 15 and 16 as their selenium-oxidized products 17 and 18 (at phosphorus center) is confirmed by X-ray crystallography (17 in the enantiopure form and 18 as racemate). Various enantiopure phosphoramidites of the modified BINOL have been synthesized. It is established that even when the phosphoramidites derived from the unsusbstituted BINOL 1 fail to give an appreciable optical induction in the asymmetric reduction of acetophenone/phenacyl chloride, those derived from 3 do induce moderate chiral induction (up to 30\% ee in the case for acetophenone and 43\% ee in the case of phenacyl chloride), thus leaving scope for further improvement in ee for related reactions.
}, doi = {10.1016/j.tetasy.2007.06.028}, author = {Balaraman, Ekambaram and Swamy, K. C. Kumara} } @article { ISI:000249894100012, title = {Convenient formal synthesis of (+/-)-paroxetine}, journal = {Synthetic Communications}, volume = {37}, number = {18}, year = {2007}, month = {SEP}, pages = {3143-3149}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A formal total synthesis of antidepressant (+/-)-paroxetine employing a solvent-free Heck reaction is disclosed.
}, keywords = {antidepressants, carbamate, electrophile, Heck reaction, piperidines}, issn = {0039-7911}, doi = {10.1080/00397910701545130}, author = {Chavan, Subhash P. and Khobragade, Dushant A. and Pathak, Ashok B. and Kalkote, Uttam R.} } @article { ISI:000249395500018, title = {Copolyesters based on poly(butylene terephthalate)s containing cyclohexyl and cyclopentyl ring: Effect of molecular structure on thermal and crystallization behavior}, journal = {Macromolecules}, volume = {40}, number = {19}, year = {2007}, month = {SEP}, pages = {6906-6915}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In an effort to understand the role of molecular structure on the thermal properties of polyesters and copolyesters, the following polyesters were synthesized: poly(1,4-cyclohexane dimethylene terephthalate) (PCT), poly(butylene-1,4-cyclohexane dicarboxylate) (PBCD), poly (1,3-cyclopentane dimethylene terephthalate) (PCPDT), and poly(butylene-1,3-cyclopentane dicarboxylate) (PBCP). PCT and PCPDT are semicrystalline polymers with crystallization and melting temperatures higher than poly(butylene terephthalate) (PBT). However, PBCD and PBCP have lower glass transition temperature than PBT. From these homopolymers a series of poly(butylene-co-1,4-cyclohexane dimethylene terephthalate) (P(BT-co-CT )), poly(butylene terephthalate-co-1,4cyclohexane dicarboxylate) (P(BT-co-BCD)), poly(butylene-co-1,3-cyclopentylene dimethylene) (P(BT-co-CPDT)), and poly(butylene terephthalate-co-1,3-cyclopentane dicarboyxlate) (P(BT-co-PBCP)) random copolyesters were synthesized for the first time, and their cocrystallization behavior was investigated using differential scanning calorimetry (DSC) and wide-angle X-ray diffraction (WAXD). The copolymers were found to be statistically random and crystallized in all compositions. The P(BT-co-CT) and (P(BT-co-CPDT) copolyesters exhibited typical eutectic behavior in melting and crystallization, which indicated isodimorphic cocrystallization behavior. On the other hand, in the case of P(BT-co-BCD) and P(BT-co-PBCP) copolymers, the melting and crystallization temperatures showed linear dependency with composition, indicating isomorphic-like crystallization behavior.
}, issn = {0024-9297}, doi = {10.1021/ma071272q}, author = {Sandhya, T. E. and Ramesh, C. and Sivaram, S.} } @article { ISI:000250064100040, title = {Copper phthalocyanine films deposited by liquid-liquid interface recrystallization technique (LLIRCT)}, journal = {Journal of Colloid and Interface Science}, volume = {315}, number = {2}, year = {2007}, month = {NOV}, pages = {747-752}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The simple recrystallization process is innovatively used to obtain the nanoparticles of copper phthalocyanine by a simple method. Liquid-liquid interface recrystallization technique (LLIRCT) has been employed successfully to produce small sized copper phthalocyanine nanoparticles with diameter between 3-5 nm. The TEM-SAED studies revealed the formation of 3-5 nm sized with beta-phase dominated mixture of alpha and beta copper phthalocyanine nanoparticles. The XRD, SEM, and the UV-vis studies were further carried out to confirm the formation of copper phthalocyanine thin films. The cyclic voltametry (CV) studies conclude that redox reaction is totally reversible one electron transfer process. The process is attributed to Cu(II)/Cu(I) redox reaction. (C) 2007 Elsevier Inc. All rights reserved.
}, keywords = {Copper phthalocyanine, cyclic voltametry, nanoparticulate films}, issn = {0021-9797}, doi = {10.1016/j.jcis.2007.07.031}, author = {Patil, K. R. and Sathaye, S. D. and Hawaldar, Ranjit R. and Sathe, B. R. and Mandale, A. B. and Mitra, A.} } @article { ISI:000249564600009, title = {Copper(II) ion exchanged A1SBA-15: a versatile catalyst for intermolecular hydroamination of terminal alkynes with aromatic amines}, journal = {Journal of Catalysis}, volume = {250}, number = {2}, year = {2007}, month = {SEP}, pages = {274-282}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The hydroarnination reaction offers a very attractive route for the synthesis of alkylated amines and their derivatives with no byproduct formation. AISBA-15 was synthesized by isomorphous substitution of aluminum into the framework of SBA-15, which induces the Bronsted acid sites, and these were exchanged with metal ions such as Cu2+, Zn2+, and Pd2+. The catalysts were characterized by XRD, N-2-sOrption, SEM, TEM, acidity measurements by FT-IR pyridine adsorption, H-2-TPR, (27)AI MAS NMR, and Si-29 MAS NMR. Hydroamination of phenylacetylene (PhAc) with 2,4-xylidine has been used as a test reaction, which gave N-(1-phenylethylidene)-2,4-dimethylaniline with no byproduct formation. CuAlSBA-15 and CuAIMCM-41 showed around three times greater activity in hydroamination of PhAc compared with Cu-clay and Cu-beta, due to the moderate Lewis acidity of Cu2+ present in mesoporous supports. The performance of the CuAlSBA-15 was also determined with different alkynes and amines to evaluate the catalyst{\textquoteright}s general applicability in hydroamination reactions. (c) 2007 Elsevier Inc. All rights reserved.
}, keywords = {A1SBA-15, addition, alkyne, Amine, Copper catalyst, heterogeneous, hydroamination, ion exchange, Mesoporous}, issn = {0021-9517}, doi = {10.1016/j.jcat.2007.06.007}, author = {Shanbhag, Ganapati V. and Joseph, Trissa and Halligudi, Shivaraj B.} } @article { ISI:000244008300030, title = {Co-precipitation technique to prepare BaTa2O6}, journal = {Ceramics International}, volume = {33}, number = {2}, year = {2007}, month = {JAN}, pages = {297-299}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A mixture of ammonium oxalate and ammonium hydroxide was used to co-precipitate barium and tantalum ions as barium oxalate and tantalum hydroxide under basic conditions. On calcination at 750 degrees C, this precursor yielded BaTa2O6 (BT) ceramics. This is much lower temperature as compared to that prepared by traditional solid-state method (1000 degrees C) as reported for the formation of BaTa206. Transmission electron microscope (TEM) investigations revealed that the average particle size is 70 nm for the calcined powders. The room temperature dielectric constant at 1 kHz is found to be 100. (c) 2005 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {barium tantalate, Ceramics, Electron microscopy, Oxides, X-ray diffraction}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2005.08.012}, author = {Navale, S. C. and Samuel, Violet and Gaikwad, A. B. and Ravi, V.} } @article { ISI:000246158300001, title = {Coprecipitation technique to prepare CoTa2O6 and CoNb2O6}, journal = {Materials Letter}, volume = {61}, number = {11-12}, year = {2007}, month = {MAY}, pages = {2127-2129}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
An aqueous solution of sodium hydroxide was used to coprecipitate cobalt and tantalum (or niobium) ions from their precursors as hydroxides under basic conditions. This precipitate yielded CoTa2O6 (CT) or CoNb2O6 (CN) ceramics on calcining at 700 degrees C, i.e. at a temperature much lower than 900 degrees C, reported for the formation of these powders prepared by the traditional solid state method. The X-ray diffraction (XRD) studies were employed to investigate phase contents and lattice parameters. The morphology of the synthesized powders was investigated by transmission electron microscopy (TEM). (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Chemical synthesis, electronic materials, Oxides, X-ray methods}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.08.024}, author = {Mulla, Imtiaz S. and Natarajan, N. and Gaikwad, A. B. and Samuel, V. and Guptha, U. N. and Ravi, V.} } @article { ISI:000246158300058, title = {Coprecipitation technique to prepare NiNb2O6}, journal = {Materials Letter}, volume = {61}, number = {11-12}, year = {2007}, month = {MAY}, pages = {2354-2355}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A mixture of ammonium carbonate and ammonium hydroxide was used to coprecipitate nickel and niobium ions as nickel carbonate and niobium hydroxide under basic conditions. This precursor yielded NiNb2O6 (NN) ceramics on calcining at 700 degrees C (at a temperature lower than 800 degrees C which is necessary for the formation of NiNb2O6 when prepared by the traditional solid state method). The average particle size and morphology of these powders were investigated by transmission electron microscope (TEM). (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Chemical synthesis, Electron microscopy, electronic materials, Oxides, X-ray methods}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.09.010}, author = {Samuel, V. and Gaikwad, A. B. and Jadhav, A. D. and Natarajan, N. and Ravi, V.} } @article { ISI:000245369300017, title = {Correlation between mobility enhancement and conformational change in polyaniline and its derivatives: polaron lattice formation}, journal = {Electrochimica Acta}, volume = {52}, number = {11}, year = {2007}, month = {MAR}, pages = {3615-3620}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Conformational changes in polyaniline, poly(methyl aniline), and poly(methoxyaniline) are studied in perchloric acid and acetonitrile by means of an in situ reflection technique with oxidation level as a parameter. Stretching of polymer chains leading to enhancement of specular reflection at the polymer-coated electrodes is found to be well correlated with the increase in carrier mobility. The concomitant change in mobility and chain conformation observed with the polyaniline family is explained in terms of the formation of polaron lattice at increased oxidation levels. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {Conformation, polyaniline, reflection, scattering : mobility}, issn = {0013-4686}, doi = {10.1016/j.electacta.2006.10.040}, author = {Harima, Yutaka and Ogawa, Fumiyuki and Patil, Rahul and Jiang, Xiaoqing} } @article { ISI:000246978800026, title = {Corrosion protection aspects of electrochemically synthesized poly(o-anisidine-co-o-toluidine) coatings on copper}, journal = {Electrochimica Acta}, volume = {52}, number = {19}, year = {2007}, month = {MAY}, pages = {5958-5967}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The poly(o-anisidine-co-o-toluidine) coatings were synthesized on copper substrates by electrochemical copolymerization of o-anisidine with o-toluidine using sodium salicylate as supporting electrolyte. These coatings were characterized by cyclic voltammetry, UV-vis absorption spectroscopy, Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance spectroscopy (NMR) and scanning electron microscopy (SEM). The formation of the copolymer with the mixture of monomers in the aqueous sodium salicylate solution was ascertained by a critical comparison of the results obtained with the polymerization of the individual monomers, o-anisidine and o-toluidine, respectively. The corrosion protection aspects of poly(o-anisidine-co-o-toluidine) coatings to copper was investigated in aqueous 3\% NaCl solution by potentiodynamic polarization technique and electrochemical impedance spectroscopy (EIS). The results of the potentiodynamic polarization measurements and EIS studies showed that the poly(o-anisidine-co-o-toluidine) coatings provided the effective corrosion protection to copper than that of respective homopolymers. The corrosion rate is observed to depend on the feed ratio of o-toluidine used for the synthesis of the copolymer coatings. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {copolymer coatings, Copper, Corrosion resistant coatings, cyclic voltammetry, poly(o-anisidine-co-o-toluidine)}, issn = {0013-4686}, doi = {10.1016/j.electacta.2007.03.043}, author = {Pawar, Pritee and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000247076200015, title = {Cross- and axial-peak intensities in 2D-SLF experiments based on cross-polarization - the role of the initial density matrix}, journal = {Journal of Magnetic Resonance}, volume = {185}, number = {2}, year = {2007}, month = {APR}, pages = {308-317}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Simulations and experiments on simple oriented systems have been used to estimate the relative ratio of cross-peak to axial-peak intensities in 2D-SLF experiments based on dipolar oscillations during cross-polarization (CP). The density matrix prior to dipolar evolution is considered and for an isolated spin pair, it is shown that direct calculations of the ratios match well with simulations and experimental results. Along with the standard CP pulse sequence, two other pulse sequences namely CP with polarization inversion (PI-CP) and another novel variation of the standard CP experiment (EXE-CP) reported recently have been considered. Inclusion of homonuclear dipolar coupling has been observed to increase the axial-peak intensities. In combination with Lee-Goldburg (LG) decoupling, experiments on an oriented liquid crystalline sample have been carried out and the performance of the pulse schemes have been compared. The applicability of the new pulse sequence for different samples and different nuclei is discussed. Such studies are expected to lead to a better understanding of the experiments and to the design of useful pulse sequences. (C) 2007 Elsevier Inc. All rights reserved.
}, keywords = {cross polarization, oriented molecules, PISEMA, SLF}, issn = {1090-7807}, doi = {10.1016/j.jmr.2007.01.007}, author = {Das, Bibhuti B. and Ajithkumar, Thalasseril G. and Sinha, Neeraj and Opella, Stanley J. and Ramanathan, K. V.} } @article { ISI:000244983400014, title = {Cross-linking assessment after accelerated ageing of ethylene propylene diene monomer rubber}, journal = {Polymer Degradation and Stability }, volume = {92}, number = {3}, year = {2007}, month = {MAR}, pages = {457-463}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The ageing of filled and cross-linked ethylene propylene diene elastomer (EPDM) has been studied under accelerated UV irradiation (lambda \>= 290 nm) at 60 degrees C, thermal ageing at 100 degrees C and in nitric acid vapours for different time intervals. Hardness measurements were performed. DSC-thermoporosimetry was used to estimate the mesh size distribution and cross-linking densities for each ageing. The development of functional groups was monitored by ATR spectroscopy. An increase in oxidation with exposure time after the different types of ageing was observed. The thermal stability of EPDM was assessed by TGA and evolved volatile gases were identified using FTIR spectroscopy. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {ageing, EPDM, Oxidation, thermal analysis, thermoporosimetry}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2006.11.013}, author = {Tomer, N. S. and Delor-Jestin, Florence and Singh, R. P. and Lacoste, Jacques} } @article { ISI:000244470700006, title = {Cu(OTf)(2) catalyzed high yield synthesis of hantzsch 1,4-dihydropyridines}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {46}, number = {2}, year = {2007}, month = {FEB}, pages = {331-335}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
Copper(II) triflate catalyzes efficiently the three-component condensation of aldehydes, beta-ketoesters and ammonium acetate in acetonitrile at 25 degrees C to afford the corresponding Hantzsch 1,4-dihydropyridines in high yields.
}, keywords = {4-dihydropyridines, anti-hypertensive drug, calcium channel blockers, cardiovascular diseases, Hantzsch 1, three-component condensation}, issn = {0376-4699}, author = {Paraskar, Abhimanyu S. and Sudalai, Arumugam} } @article { ISI:000246329700015, title = {Cyclic voltammetry, electrochemical impedance and ex situ X-ray diffraction studies of electrochemical insertion and deinsertion of lithium ion into nanostructured organic-inorganic poly(3,4-ethylenedioxythiophene) based hybrids}, journal = {Journal of Electroanalytical Chemistry}, volume = {603}, number = {2}, year = {2007}, month = {MAY}, pages = {287-296}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
In this work, we discuss the electrochemical insertion and deinsertion of lithium into poly(3,4-ethylenedioxythiophene) PEDOT-V(2)O(5) nanohybrids by using cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and powder ex situ X-ray diffraction (XRD) studies with special emphasis on their application potential as cathode materials for rechargeable Lithium batteries. The interlayer spacing of crystalline V(2)O(5) expands from 0.43 to 1.41 nm by the intercalation of PEDOT nanoribbons prepared by a microwave irradiation method. Cyclic voltammetry studies of PEDOT-V(2)O(5) hybrid at a slow scan rate of 0.058 mVs(-1) between 2.0-4.3 V vs. Li/ Li(+), demonstrates that structural transitions Of V(2)O(5) are suppressed and more facile intercalation features appear in terms of well-defined reversible cathodic and anodic peaks when compared to that at higher scan rate. Electrochemical Impedance studies of PEDOT-V(2)O(5) hybrid as cathode at ambient temperature with lithium metal foil as both counter and reference electrodes in 1 M LiPF(6) in a mixture of ethylene and diethylcarbonate (50:50 by volume) between the range 2.0-4.3 V reveals the usefulness of these materials. The observed capacity fading during cycling in terms of surface passivation and structural transformations is also investigated by CV, EIS and XRD analysis. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {cyclic voltammetry, ex situ XRD studies, high capacity lithium batteries, impedance studies, nanostructured hybrid materials}, issn = {1572-6657}, doi = {10.1016/j.jelechem.2007.02.013}, author = {Murugan, A. Vadivel and Reddy, M. V. and Campet, Guy and Vijayamohanan, K.} } @article { ISI:000251244900032, title = {Data-driven dynamic modeling and control of a surface aeration system}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {25}, year = {2007}, note = {Joint 6th International Symposium on Catalysis in Multiphase Reactors/5th International Symposium on Multifunctional Reactors (CAMURE-6/ISMR-5-), Pune, INDIA, JAN 14-17, 2007}, month = {DEC}, pages = {8607-8613}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this study we have developed a support vector regression (SVR) based data-driven model for predicting two important design parameters of surface aerators, namely, the volumetric mass transfer coefficient (k(L)(a) under bar) and fractional gas hold-up (epsilon(G)). The dynamical state of the surface aerator system was captured by acquiring pressure fluctuation signals (PFSs) at various design and operating conditions. The most informative features from PFS were extracted using the chaos analysis technique, which includes estimation of Lyapunov exponent, correlation dimensions, and Kolmogorov entropy. At similar conditions the values of k(L)(a) under bar and epsilon(G) were also measured. Two different SVR models for predicting the volumetric mass transfer coefficient (k(L)(a) under bar) and overall gas hold-up (epsilon(G)) as a function of chaotic invariants, design parameters, and operating parameters were developed showing test accuracies of 98.8\% and 97.1\%, respectively. Such SVM based models for the surface aerator can be potentially useful on a commercial scale for online monitoring and control of desired process output variables.
}, issn = {0888-5885}, doi = {10.1021/ie0700765}, author = {Gandhi, Ankit B. and Joshi, Jyeshtharaj B. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000250636200009, title = {Decomposition and/or hydrogenation of hydrogen peroxide over Pd/Al2O3 catalyst in aqueous medium: factors affecting the rate of H2O2 destruction in presence of hydrogen}, journal = {Applied Catalysis A-General}, volume = {332}, number = {1}, year = {2007}, month = {NOV}, pages = {70-78}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Hydrogen peroxide destruction by its decomposition and/or hydrogenation to water in the presence of H-2 over Pd(5 wt.\%)/Al2O3 catalyst in an aqueous reaction medium, similar to that used in the H-2-to-H2O2 oxidation, has been thoroughly investigated at different reaction conditions. The H2O2 destruction is strongly influenced by the oxidation state of Pd in the catalyst and also by the presence of different halide anions (viz. F-, Cl-, Br- and I-) in the acidic aqueous medium or in the catalyst, depending upon the concentration of halide anions. The cations associated with halide anions have, however, a little or no influence on the H2O2 destruction. The iodide anions strongly poisoned the catalyst, even at their very low concentration. The fluoride anions have only a small effect on the H2O2 destruction. The chloride or bromide anions drastically inhibit the rapid H2O2 decomposition, but promote the slower H2O2 hydrogenation. The H2O2 destruction reactions are strongly influenced by the halide anion and acid concentrations. The presence of acid (protons) plays a very important role in drastically reducing the H2O2 destruction, particularly in the presence of chloride anions. Both in the presence and absence of Cl- or Br- anions, the H2O2 destruction activity of the catalyst is markedly reduced because of the oxidation of Pd but it is drastically increased due to the presence of H-2. A plausible reaction mechanism for the rapid H2O2 decomposition and slower H2O2 hydrogenation reactions, prevailing under the different reaction conditions, has also been discussed. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {decomposition of H2O2, halide anions as catalyst promoter or indicator, Hydrogen peroxide, hydrogenation of H2O2, Pd/Al2O3}, issn = {0926-860X}, doi = {10.1016/j.apeata.2007.08.004}, author = {Choudhary, Vasant R. and Samanta, Chanchal and Jana, Prabhas} } @article { ISI:000246282600007, title = {Density functional static dipole polarizability and first-hyperpolarizability calculations of Na-n (n=2, 4, 6, 8) clusters using an approximate CPKS method and its comparison with MP2 calculations}, journal = {Journal of Chemical Theory and Computation}, volume = {3}, number = {3}, year = {2007}, month = {MAY}, pages = {716-727}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{We report the static dipole polarizability and first-hyperpolarizability of the sodium atom clusters, Na-n
}, issn = {1549-9618}, doi = {10.1021/ct6003627}, author = {Sophy, K. B. and Calaminici, Patrizia and Pal, Sourav} } @article { ISI:000249329300010, title = {Deprotonation of 1,2-dialkylpyridinium ions: a DFT study of reactivity and site selectivity}, journal = {Journal of Physical Chemistry A}, volume = {111}, number = {36}, year = {2007}, month = {SEP}, pages = {8823-8828}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A site-selectivity model, based on the Fukui function as a local reactivity descriptor, has been applied to 1.2-disubstituted pyridinium ions incorporating two competing sites of similar reactivity, i.e., 1-methylene and 2-methylene, which may undergo deprotonation depending on the nature of substituent present on these moieties. Applicability of the local HSAB rule, in context with the Li-Evans{\textquoteright} generalized HSAB principle suggesting the hard-hard interactions to be controlled by minimum Fukui function, has been illustrated. Global and local reactivity descriptors have been computed by carrying out DFT calculations at B3LYP/6-31++G** level using Mulliken and NPA methods for charge analysis. A comparison with the calculated deprotonation energies involving two sites indicates that the observed site selectivity in differently substituted pyridinium ions is better explained by the Li-Evans rule of minimum Fukui function for hard-hard interactions.
}, issn = {1089-5639}, doi = {10.1021/jp072812o}, author = {Gupta, Neelima and Garg, Reena and Shah, Kirti Kr. and Tanwar, Akhilesh and Pal, Sourav} } @article { ISI:000252235900014, title = {Design, synthesis, and micellar properties of bile acid dimers and oligomers linked with a 1,2,3-triazole ring}, journal = {Tetrahedron}, volume = {63}, number = {52}, year = {2007}, month = {DEC}, pages = {12927-12934}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
1,3-Dipolar cycloaddition of propargyl esters of bile acids to azide group attached at different positions of bile acids gave dimers, trimer, and tetramer linked with 1,2,3-triazole. These dimeric and oligomeric structures were able to solubilize hydrophilic dye-cresol red, in nonpolar solvent. (c) 2007 Elsevier Ltd. All rights reserved.
}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.10.042}, author = {Aher, Nilkanth G. and Pore, Vandana S. and Patil, Sachin P.} } @article { ISI:000244119200031, title = {Designing a self-associated cationic polymer for enhanced compatibility, palatability, and gastric release of cefuroxime axetil}, journal = {Biomacromolecules}, volume = {8}, number = {2}, year = {2007}, month = {FEB}, pages = {532-542}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Cefuroxime axetil (CA) has exhibited interactions with the polymers hydroxypropyl methylcellulose phthalate, cellulose acetate trimellitate, and Eudragit E resulting in the generation of unacceptable amounts of impurities and degradation. Formulations, which mask the bitter taste of CA and release it immediately in the stomach, have therefore not been possible. In an attempt to overcome the interaction with CA, we report a self-associated cationic polymer (NREP) containing methyl methacrylate (MMA), 2-hydroxy ethylmethacrylate (HEMA), and 4-vinyl pyridine (4-VP). The hydrogen bonding between the pyridine nitrogen and the hydroxyl groups of HEMA results in strong intrachain associations, prevents interactions between NREP and CA, and inhibits degradation of CA. This has been validated by differential scanning calorimetry, Fourier transform infrared spectroscopy, NMR, and high-performance liquid chromatography analysis. These self-associations restrict polymer chain motions, enhance biocompatibility, and lead to a higher T-g, which ensures that NREP does not become tacky in processes involving heat. The judicious choice of the hydrophobic and hydrophilic monomers renders the polymer hydrophobic enough as to mask the bitter taste of CA at near neutral pH. Incorporation of the basic monomer 4-VP ensures rapid dissolution of the polymer and release of CA at the acidic pH prevalent in the stomach. The work indicates an approach to design pH-sensitive polymers for dosage forms that meet the pharmacokinetic requirements of the drug.
}, issn = {1525-7797}, doi = {10.1021/bm060673v}, author = {Menjoge, Anupa R. and Kulkarni, Mohan G.} } @article { ISI:000245098400014, title = {Development of a soft sensor for a batch distillation column using support vector regression techniques}, journal = {Chemical Engineering Research \& Design }, volume = {85}, number = {A2}, year = {2007}, month = {FEB}, pages = {283-287}, publisher = {INST CHEMICAL ENGINEERS}, type = {Article}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {
A support vector regression (SVR)-based model is developed for a batch distillation process in order to estimate the product compositions from temperature measurements. Kernel function such as linear, polynomial and RBF are employed for SVR modelling. The original process data was generated by simulating the batch distillation process, varying the initial feed composition and boilup rate from batch to batch. Within each batch reflux ratio was also randomly changed to represent the true dynamics of the batch distillation. The results show the potential of the method for developing softsensor for chemical processes.
}, keywords = {Batch distillation, composition estimation, soft sensor, support vector regression}, issn = {0263-8762}, doi = {10.1205/cherd05026}, author = {Jain, P. and Rahman, I. and Kulkarni, B. D.} } @article { ISI:000251763600015, title = {Development of support vector regression (SVR)-based correlation for prediction of overall gas hold-up in bubble column reactors for various gas-liquid systems}, journal = {Chemical Engineering Science}, volume = {62}, number = {24, SI}, year = {2007}, note = {8th International Conference on Gas-Liquid and Gas-Liquid-Solid Reactor Engineering, Indian Inst Technol Delhi, New Delhi, INDIA, DEC 16-19, 2007}, month = {DEC}, pages = {7078-7089}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The objective of this study was to develop a unified data-driven correlation for the overall gas hold-up for various gas-liquid systems using support vector regression (SVR)-based modeling technique. Over the years, researchers have amply quantified the hydrodynamics of bubble column reactors in terms of the overall gas hold-up. In this work, about 1810 experimental points were collected from 40 open sources spanning the years 1965-2007. The model for overall gas hold-up was established as a function of several parameters which include superficial gas velocity, superficial liquid velocity, gas density, molecular weight of gas, sparger type, sparger hole diameter, number of sparger holes, liquid viscosity, liquid density, liquid surface tension, operating temperature, operating pressure and column diameter of the gas-liquid system. For understanding the hold-up behavior, the data used for training the model was grouped into various gas-liquid systems viz., air-water, gas-aqueous viscous liquids, gas-organic liquids, gas-aqueous electrolyte solutions and gas-liquid systems operated over a wide range of pressure. A generalized model established using SVR was evaluated for its performance for various gas-liquid systems. Statistical analysis showed that the proposed generalized SVR-based correlation for overall gas hold-up has prediction accuracy of 97\% with average absolute relative error (\% AARE) of 12.11\%. A comparison of this correlation with the selected system specific correlations in the literature showed that the developed SVR-based correlation significantly gives enhanced prediction of overall gas hold-up. (C) 2007 Published by Elsevier Ltd.
}, keywords = {bubble column reactor, overall gas hold-up, support vector regression}, issn = {0009-2509}, doi = {10.1016/j.ces.2007.07.071}, author = {Gandhi, Ankit B. and Joshi, Jyeshtharaj B. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000242468700017, title = {Development of transdermal drug-delivery films with castor-oil-based polyurethanes}, journal = {Journal of Applied Polymer Science}, volume = {103}, number = {2}, year = {2007}, month = {JAN}, pages = {779-788}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Two different types of polyurethanes (PUs) were prepared with castor oil, ethylene glycol, isophorene diisocyanate and castor oil, and isophoren diisocyanate and poly(ethylene glycol) (400 or 600). PU films were prepared and characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, and gel permeation chromatography. We prepared transdermal patches by loading different amounts of drug, plasticizer, and penetration enhancer. In vitro drug permeability through the castor-oil-based aliphatic PU patches was examined with a Keshary-Chien diffusion cell. The effect of castor oil on the film-forming properties and the effect of penetration enhancers on diffusion characteristics of indomethacin (IDM) drug through the castor-oil-based PU were investigated. Prolonged release of IDM was observed from the prepared PU patches. In vitro drug diffusion revealed that slow and prolonged release of IDM was achieved in the absence of penetration enhancers. The use of penetration enhancers showed a significant effect on drug diffusion. (c) 2006 Wiley Periodicals, Inc.
}, keywords = {castor oil, drug delivery, polyurethane, transdermal}, issn = {0021-8995}, doi = {10.1002/app.25070}, author = {Shelke, Namdev B. and Sairam, Malladi and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article {AYC:AYCHJ3047, title = {Different interaction motifs of dipolar S = O center dot center dot center dot C = O contacts that associate diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-{[(1S)-7,7-dimethyl-2-oxo-bicyclo[2.2.1]heptan-1-ylmethyl]-sulfonyl}-myo-inositol 1,3,5-ortho-acetate}, journal = {Acta Crystallographica Section C-Structural Chemistry}, volume = {63}, number = {9}, year = {2007}, month = {SEP}, pages = { O555-O558}, publisher = {Blackwell Publishing Ltd}, type = {Article}, abstract = {
Diastereomeric mixtures of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoesters associate in their crystal structures via different geometries of S=O...C=O short contacts, depending upon the substitution. A comparison of the dimeric association in the orthoacetate and orthoformate (solvated) derivatives shows a sheared parallel motif of dipolar S=O...C=O contacts bridging the former, whereas perpendicular S=O...C=O contacts occur in the latter. The title compound, C32H34O11S, is chiral, owing to the presence of the camphor moiety.
}, issn = {1600-5759}, doi = {10.1107/S0108270107035858}, author = {Manoj, Kochunnoonny and Gonnade, R. G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000246060000033, title = {Dipole moments and polarizabilities of some small radicals using constrained variational response to fock-space multi-reference coupled-cluster theory}, journal = {Chemical Physics Letters}, volume = {438}, number = {4-6}, year = {2007}, month = {APR}, pages = {321-325}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In this Letter, we present dipole moments and polarizabilities of some open-shell doublet radicals, obtained analytically using constrained variational response to Fock-space (FS) multi-reference (MR) coupled cluster (CC) theory. These radicals can be treated as electron attached (EA) states of the corresponding closed-shell cations. Additionally, we also report analytical polarizabilities of some doublet radicals, which can be considered as ionized (IP) states of the corresponding anions. We compare our results with finite field FSMRCC response and the available benchmark results. (c) 2007 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2007.02.075}, author = {Manohar, Prashant Uday and Pal, Sourav} } @article { ISI:000244006000001, title = {Direct comparison of the aging and memory effects of magnetic nanoclusters and nanoparticles}, journal = {Solid State Communications}, volume = {141}, number = {6}, year = {2007}, month = {FEB}, pages = {307-310}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The magnetic characteristics of a dense magnetic nanoparticle system and a spin glass system consisting of magnetic nanoclusters are compared. Zero field cooled and field cooled magnetization measurements, including aging and memory experiments, of the nanoparticle and the magnetic cluster systems show similar characteristics, suggesting a common origin for the spin glass-type behavior of the magnetic nanoparticle and nanocluster systems. (C) 2006 Published by Elsevier Ltd.
}, keywords = {Magnetic nanoparticles, magnetic properties, spin glasses}, issn = {0038-1098}, doi = {10.1016/j.ssc.2006.11.015}, author = {Sankar, C. Raj and Vijayanand, S. and Verma, Seema and Joy, Pattayil Alias} } @article { ISI:000251208900068, title = {Direct formation of H2O2 from H-2 and O-2 and decomposition/hydrogenation of H2O2 in aqueous acidic reaction medium over halide-containing Pd/SiO2 catalytic system}, journal = {Catalysis Communications}, volume = {8}, number = {12}, year = {2007}, month = {DEC}, pages = {2222-2228}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Formation of H2O2 from H-2 and O-2 and decomposition/hydrogenation of H2O2 have been studied in aqueous acidic medium over Pd/SiO2 catalyst in presence of different halide ions (viz. F-, Cl- and Br-). The halide ions were introduced in the catalytic system via incorporating them in the catalyst or by adding into the reaction medium. The nature of the halide ions present in the catalytic system showed profound influence on the H2O2 formation selectivity in the H-2 to H2O2 oxidation over the catalyst. The H2O2 destruction via catalytic decomposition and by hydrogenation (in presence of hydrogen) was also found to be strongly dependent upon the nature of the halide ions present in the catalytic system. Among the different halides, Br- was found to selectivity promote the conversion of H-2 to H2O2 by significantly reducing the H2O2 decomposition and hydrogenation over the catalyst. The other halides, on the other hand, showed a negative influence on the H2O2 formation by promoting the H-2 combustion to water and/or by increasing the rate of decomposition/hydrogenation of H2O2 over the catalyst. An optimum concentration of Br- ions in the reaction medium or in the catalyst was found to be crucial for obtaining the higher H2O2, yield in the direct synthesis. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Br- catalyst promoter, direct H2O2 formation, H2O2 decomposition, Pd/SiO2 catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.05.007}, author = {Samanta, Chanchal and Choudhary, Vasant R.} } @article { ISI:000244798300028, title = {Direct hydrothermal synthesis of mesoporous Sn-SBA-15 materials under weak acidic conditions}, journal = {Microporous and Mesoporous Materials}, volume = {100}, number = {1-3}, year = {2007}, month = {MAR}, pages = {210-226}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A direct synthetic route for the preparation of Sn-SBA-15 materials with n(Si)/n(Sn), ratios ranging from 100 to 10 under milder acidic conditions than normally employed for the preparation of Si-SBA-15 is reported. The changes in the pH conditions of the gel were made through an adjustment of the molar ratio of n(H2O) to n(HCl) (\< 1 pH \< 2) during preparation. The samples prepared under three different acidic conditions have been characterized by various techniques. An expansion of the lattice (powder XRD) and an increase in mesopore area (low temperature N-2 adsorption) indicate that the hexagonal structure of the SBA- 15 is maintained with no loss of long range ordering. The UV-vis reflectance spectra of Sn-SBA-15 samples show the presence of Sn4+ ions both in tetrahedral and octahedral environment. Si-29 MAS NMR spectra of samples prepared under an intermediate acid condition show the presence Of Q(3) and Q(4) species. Their ratio increases with a decrease in tin content. The presence of Si in (2Si, 2Sn) i.e., Q(2) environment may point to incorporation of considerable Sn4+ ions in tetrahedral positions. Sn-Mossbauer spectroscopic studies reveal that Sn2+ species form upon reductive treatments and can probably be stabilized in the pore wall upon reoxidation. This to some extent is an indication of the formation and stabilization of Si-O-Sn-O-Si linkages in Sn-SBA-15. A progressive increase in the pH of the medium (increasing the n(H2O) to n(HCl), ratio) results in the location of Sn4+ ions, (a) at the surface of the mesopores (surface of the corona region) as a thin film of SnO2 or small aggregates (loss in mesopore area) depending on the concentration of Sn; (b) at the walls of the mesopore structure, substituting Si4+ ions (some lattice expansion and tetrahedral Sn4+ ions); and/or (c) as a part of the corona region, neutralizing the resulting Si-OH groups (a loss of micropore area and octahedral Sn4+ ions). The studies reveal that the method of preparation, n(H2O)/n(HCl) ratio and the n(Si)/n(Sn) ratio (concentration of SnCl4) of the gel significantly influence the type of tin species in the resulting Sn-SBA-15 samples. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {direct synthesis of Sn-SBA-15, Si-29 and Sn-119 MAS-NMR, Sn-mossbauer spectroscopic studies, Sn-SBA-15, tin-mesoporous silica}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.10.042}, author = {Shah, P. and Ramaswamy, A. V. and Lazar, Karoly and Ramaswamy, Veda} } @article { ISI:000249542900010, title = {Direct oxidation of H-2 to H2O2 over Br and F-promoted Pd/Al2O3 in aqueous acidic medium: influence of the concentration of Br and F and the method of incorporation of the two halogens in the catalyst on their beneficial synergetic effect on the net H2O2}, journal = {Applied Catalysis A-General}, volume = {329}, year = {2007}, month = {OCT}, pages = {79-85}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Influence of the addition of F (0-1.1 mmol/g) in the pre-brominated Pd/Al2O3 (Br loading = 0.13 mmol/g) and also that of Br (0.13 mmol/g) in the pre-fluorinated Pd/Al2O3 (F loading = 0.53 mmol/g) on the net H2O2 formation in the H-2-to-H2O2 oxidation (with H-2/O-2 mole ratio of 1.0) over the halogenated catalysts in aqueous acidic (0.1 M H3PO4) medium have been investigated. In both the cases, the highest synergetic effect (resulting in the highest net H2O2 formation) produced by the addition of other halogen is observed at its optimum concentration (viz. 0.13 mmol Br/g in the fluorinated Pd/Al2O3 and 0.13 mmol F/g in the pre-brominated Pd/Al2O3). The beneficial synergetic effect of the two halogens is also found to be strongly influenced by the way of incorporation of the two halogens in the catalyst. The enhancement in the net rate of H2O2 formation due to the synergetic effect for the different methods of Pd/Al2O3 halogenation is in the following order: simultaneous bromination and fluorination \< first fluorination and then bromination \< first bromination and then fluorination. The fluorination (at optimum concentration of 0.13 mmol F/g) of the pre-brominated (0.13 mmol Br/g) Pd/Al2O3 led to the best catalyst for the H-2-to-H2O2 oxidation with 100\% H-2 conversion and 78\% H2O2 yield/selectivity. The destruction of H2O2 by its decomposition and/or hydrogenation over the halogenated catalysts has also been studied. (c) 2007 Published by Elsevier B.V.
}, keywords = {F and Br-promoted Pd/Al2O3, Hydrogen peroxide, oxidation of H-2-to-H2O2, synergetic effect of F and Br}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.06.024}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000251244900026, title = {Direct oxidation of hydrogen to hydrogen peroxide over Pd (or PdO)/Al2O3 in aqueous reaction medium: influence of different acids and halide anions in reaction medium on formation and destruction of H2O2}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {25}, year = {2007}, note = {Joint 6th International Symposium on Catalysis in Multiphase Reactors/5th International Symposium on Multifunctional Reactors (CAMURE-6/ISMR-5-), Pune, INDIA, JAN 14-17, 2007}, month = {DEC}, pages = {8566-8573}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Effects of different mineral acids (viz. H2SO4, H3PO4, HNO3, HCl, HBr, and HI), acid (H3PO4) concentration, different halide anions (viz. F-, Cl-, Br-, and I-), and halide anion concentration in aqueous reaction medium on the H2O2 formation (in H-2-to-H2O2 oxidation) and/or on the H2O2 destruction (by H2O2 decomposition and hydrogenation) activities of Pd (or PdO)/Al2O3 catalyst (at 300 K and atmospheric pressure) have been thoroughly investigated. Among the different halide anions, Br- anions are most effective for promoting the H2O2 formation and inhibiting the H2O2 destruction by both the H2O2 decomposition and/or hydrogenation. The cations associated with the halide anions, however, have only a little or no influence on both the H2O2 formation and destruction. The concentration of the different halide anions has a strong influence on the H-2 conversion and H2O2 formation and destruction activities of the Pd/Al2O3. The H2O2 formation activity in the presence of Br- or Cl- anions is highest at the optimum concentration of halide (about 1.0 mmol/dm(3)). it is also highest at the optimum concentration of phosphoric acid (between 0.1 and 0.3 mol/dm(3)). In general, the H2O2 formation is increased with decreasing the H2O2 destruction activity of the catalyst, indicating a close relationship between the two. Br- anions act as an excellent catalyst promoter for Pd/Al2O3 catalyst, but they show only a small promoting effect for PdO/Al2O3 catalyst. The next choice for halide promoter for Pd/Al2O3 catalyst is Cl- anions. F- and I- anions are, however, catalyst inhibitor and strong poison, respectively, for the H2O2 formation. At the same concentration, Br- anions are more effective than Cl- anions for inhibiting the H2O2 destruction reactions over Pd/Al2O3 Catalyst. For both halide promoters (Cl- and Br-), the net H2O2 formation is controlled by the H2O2 hydrogenation rather than by the H2O2 decomposition.
}, issn = {0888-5885}, doi = {10.1021/ie061653c}, author = {Choudhary, Vasant R. and Ingole, Yugesh V. and Samanta, Chanchal and Jana, Prabhas} } @article { ISI:000242759500015, title = {Direct synthesis of H2O2 from H-2 and O-2 over Pd/H-beta catalyst in an aqueous acidic medium: influence of halide ions present in the catalyst or reaction medium on H2O2 formation}, journal = {Catalysis Communications}, volume = {8}, number = {1}, year = {2007}, month = {JAN}, pages = {73-79}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The influence of different halide ions present in the catalyst or reaction medium on the performance of Pd/H-beta catalyst in the direct H2O2 synthesis in an aqueous acidic (0.03 M H3PO4) reaction medium at 27 degrees C and atmospheric pressure has been thoroughly investigated. The results showed a strong influence of both the bulk Pd oxidation state in the catalyst and the halide ions added to the reaction medium on the performance of the catalyst in the H-2 to H2O2 oxidation, H2O2 decomposition/hydrogenation reactions. The different ammonium halides impregnated reduced Pd/H-beta catalyst calcined in inert (N-2) and oxidizing (air) gaseous atmospheres also revealed that the bulk Pd oxidation state and nature of the halide ions present in the catalyst together control the overall performance of the catalyst in the H2O2 formation reaction. The presence of halide ions in reaction medium or in the catalyst significantly changes the selectivity for H2O2 formation in the direct H2O2 synthesis. Bromide ions are found to remarkably enhance the H2O2 selectivity in the direct H2O2 synthesis irrespective of the Pd oxidation state in the catalyst. The promoting action of Br- is attributed mainly to the large decrease in the H2O2 decomposition and hydrogenation activities of the catalyst and also inhibition for the non-selective H-2-to-water oxidation over the catalyst. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {direct H2O2 synthesis, H-P supported Pd catalyst, H2O2 decomposition, H2O2 hydrogenation, promoting action of bromide ions}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.05.027}, author = {Samanta, Chanchal and Choudhary, Vasant R.} } @article { ISI:000249864300003, title = {Direct synthesis of H2O2 from H-2 andO(2) and decomposition/hydrogenation of H2O2 in an aqueous acidic medium over halide-modified Pd/Al(2)O3 catalysts}, journal = {Applied Catalysis A-General}, volume = {330}, year = {2007}, month = {OCT}, pages = {23-32}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Direct synthesis Of H2O2 from its elements was carried out in an acidic aqueous reaction medium over halide-modified oxidized and reduced Pd/ Al2O3 catalysts under very mild conditions (at 27 degrees C and atmospheric pressure). The halide ions were introduced into the catalyst by incorporating halide ions into supported Pd/gamma-Al2O3 catalyst or via depositing halide ions on the support (gamma-Al2O3) prior to Pd deposition. The H2O2 decomposition and hydrogenation over the corresponding catalysts were also carried out under the reaction conditions similar to those employed for the H2O2 synthesis in order to elucidate the factors strongly affecting the H2O2 yield/selectivity in the direct H2O2 process. The performance of halide-modified Pd/Al2O3 catalysts in the direct H2O2 synthesis revealed that halide insertion in the catalyst system prior to or after Pd deposition on the support had comparable qualitative effect on the H2O2 formation. Both the Pd oxidation state and the nature of the halide ions had strong influences on the H-2 conversion (in direct H2O2 Synthesis process) and H2O2 decomposition and/or hydrogenation reaction. While the effect of Pd oxidation state on the H2O2 formation was significant for the catalytic system containing F- and Cl- ions, the influence of the Pd oxidation state was found less important for the catalyst system containing Br- ions; the H2O2 formation selectivity increased significantly due to the presence of Br- ions, irrespective of the Pd oxidation state. The nature of the H2O2 destruction pathway (i.e. hydrogenation and/or decomposition) in the presence of hydrogen over halide-modified Pd/Al2O3 catalysts was found to be strongly dependent upon the nature of the halide ions incorporated in the catalyst during halide-modification of the catalyst. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {direct H2O2 synthesis, H2O2 decomposition, H2O2 hydrogenation, halide-modification, Pd oxidation state}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.06.030}, author = {Samanta, Chanchal and Choudhary, Vasant R.} } @article {42760, title = {Displacement-induced switching rates of bioresponsive hydrogel microlenses}, journal = {Chemistry of Materials}, volume = {19}, year = {2007}, month = {MAY}, pages = {2527-2532}, type = {Article}, doi = {10.1021/cm063086p}, author = {Kim, Jongseong and Singh, Neetu and Lyon, L. Andrew} } @article { ISI:000250610300004, title = {Diverse forms of pin-II family proteinase inhibitors from capsicum annuum adversely affect the growth and development of helicoverpa armigera}, journal = {Gene}, volume = {403}, number = {1-2}, year = {2007}, month = {NOV}, pages = {29-38}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Novel forms of Pin-II type proteinase inhibitor (PIs) cDNAs (CanPIs) having three or four inhibitory repeat domains (IRD) were isolated from the developing green fruits of Capsicum annuum. Deduced amino acid (aa) sequences of the CanPIs showed up to 15\% sequence divergence among each other or reported inhibitors (CanPI-1 AF039398, CanPI-2 AF221097). Amino acid sequence analysis of these CanPIs revealed that three IRD Pls have trypsin inhibitory sites, while four IRD CanPIs have both trypsin and chymotrypsin inhibitory sites. Four CanPIs, two having three IRD (CanPI-3 AY986465 and CanPI-5 DQ005912) and two having four IRD (CanPI-7 DQ005913 and CanPI-9 DQ005915), were cloned in Pichia pastoris to express recombinant CanPIs. Recombinant CanPIs inhibited 90\% of bovine trypsin (TI), while chymotrypsin inhibition (0) varied with the number of chymotrypsin inhibitory sites in the CanPIs. Recombinant inhibitors inhibited over 70\% of the gut proteinase activity of Helicoverpa armigera. H. armigera larvae fed on recombinant CanPIs individually incorporated into artificial diet, showed 35\% mortality; in addition, weight gain in H. armigera larvae and pupae was severely reduced compared to controls. Of the four CanPIs, CanPI-7, which has two sites for TI and CI, was the only one to have a consistently antagonistic effect on H. armigera growth and development. We conclude that among the four recombinant Pls tested, CanPIs containing diverse IRDs are best suited for developing insect-resistant transgenic plants. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {insect resistance, IP repeats, PI-insect interaction, Pichia pastoris, potato type 2 inhibitors (Pot-II), Solanaceae}, issn = {0378-1119}, doi = {10.1016/j.gene.2007.07.024}, author = {Tamhane, Vaijayantl A. and Giri, Ashok P. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000246978800037, title = {DMFC at low air flow operation: study of parasitic hydrogen generation}, journal = {Electrochimica Acta}, volume = {52}, number = {19}, year = {2007}, month = {MAY}, pages = {6060-6067}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In this paper, the effect of hydrogen generation in direct methanol fuel cells (DMFC) is described. Under certain operating conditions hydrogen generation occurs in DMFC causing an additional methanol consumption and a decrease of the cell voltage. For the present experiments a segmented cell with an active area of 244 cm 2 is used. The cell has 196 segments which are regularly distributed on the whole area. By this experimental setup hydrogen generation was found in regions with insufficient air supply. Hydrogen generation was analyzed by systematically applying different air flow rates and detecting the local current densities. The theory for hydrogen generation is confirmed by the results obtained from the segmented cell. A correlation between open circuit voltage (OCV), air flow rate and hydrogen generation was observed. Furthermore, half-cell measurements with different methanol concentrations were performed and used for analyzing the processes during hydrogen generation. The work clearly indicates the importance of sufficient cathode air supply for DMFC. Starved cathode areas not only do not contribute to the overall current generation but in addition reduce the power and efficiency by the parasitic generation of hydrogen. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {DMFC, Efficiency, electrolytic hydrogen evolution, oxygen depletion, side-effects}, issn = {0013-4686}, doi = {10.1016/j.electacta.2007.03.067}, author = {Dohle, H. and Mergel, J. and Ghosh, P. C.} } @article { ISI:000251244900038, title = {Eco-friendly, selective hydroxylation of C-7 aromatic compounds catalyzed by TS-1/H2O2 system under solvent-free solid-liquid-liquid-type triphase conditions}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {25}, year = {2007}, note = {Joint 6th International Symposium on Catalysis in Multiphase Reactors/5th International Symposium on Multifunctional Reactors (CAMURE-6/ISMR-5-), Pune, INDIA, JAN 14-17, 2007}, month = {DEC}, pages = {8657-8664}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Direct ring hydroxylation of aromatics, namely, anisole, toluene, and benzylchloride, using TS-1 catalyst, a MFI-type titanium silicate molecular sieve, dilute H2O2 as oxidizing agent, and water as reaction medium, was investigated under solid-liquid-liquid (SLL)-type triphase conditions. The aim was to study the relative influence of commonly used organic solvents, under solid-liquid (SL)-type biphase reaction conditions, as compared to that of water, on the conversion and product selectivity. Under solvent-free triphase conditions, the ring hydroxylation of anisole, toluene, and benzylchloride leads to significant enhancement in the conversion, turn-over frequency, and para-selectivity. However, in the case of benzyl chloride, no ring hydroxylation took place under biphase conditions (using acetone as solvent) contrary to significant ring hydroxylation (ca. 60\% H2O2 efficiency) under triphase aqueous medium conditions. The simple product recovery (phase separation of organic and aqueous layers) and use of water as reaction medium are other advantages. Since TS-1 is relatively hydrophobic, the reaction is hindered in the presence of organic solvents as they compete favorably with the substrate for diffusion inside the TS-1 channels. However, in the presence of water, the organic substrate competes favorably with water, leading to increased conversion and para-selectivity.
}, issn = {0888-5885}, doi = {10.1021/ie070088q}, author = {Mukherjee, P. and Bhaumik, Asim and Kumar, Rajiv} } @article { ISI:000243163000032, title = {Eco-friendly synthesis of epichlorohydrin catalyzed by titanium silicate (TS-1) molecular sieve and hydrogen peroxide}, journal = {Catalysis Communications}, volume = {8}, number = {3}, year = {2007}, month = {MAR}, pages = {379-382}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In a mixed solvent system of acetonitrile and methanol, titanium silicate molecular sieve, TS-1, having MFI topology, efficiently catalyses the epoxidation of allyl chloride to the corresponding epichlorohydrin in excellent yields using dilute hydrogen peroxide (45\%) as an oxidizing agent. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {allyl chloride, epichlorohydrin, epoxidation, heterogeneous catalysis, selectivity, titanium silicalite-1}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.07.007}, author = {Pandey, Rajesh Kumar and Kumar, Rajiv} } @article { ISI:000254461400002, title = {Effect of auxin types on in vitro and ex vitro rooting and acclimatization of grapevine as influenced by substrates}, journal = {Indian Journal of Horticulture}, volume = {64}, number = {1}, year = {2007}, month = {MAR}, pages = {5-11}, publisher = {HORTICULTURAL SOC INDIA}, type = {Article}, address = {DIV FRUITS \& HORTICULTURAL TECHNOL, INDIAN AGRICULTURAL RESEARCH INST, NEW DELHI, 110 012, INDIA}, abstract = {
Transferring micropropagated plantlets from in vitro to in vivo conditions is a critical step because plantlets have under-developed cuticle and stomata which result in wilting due to low humidity, fungal attack and bleaching in high light intensities. The resumption of terminal growth indicates successful establishment which is a change from mixotrophy to autotrophy. The survival of Vitis vinifera cvs. 2A-Clone and Red Globe plantlets rooted in vitro was 86.66 and 83.33\%, respectively and the established plants showed a well-defined root system. Plantlets rooted in vivo by auxin pulse were easier to transfer and acclimatize with a survival percentage of 96.66 and 79.92 for 2A-Clone and Red Globe, respectively but the rooting was of fibrous type with few main roots and less number of root hairs. Coco-peat in combination with sand and soil was better for quick acclimatization and establishment (97.5 and 95\% survival for 2A-Clone and Red Globe respectively) of the micropropagated plantlets.
}, keywords = {auxin pulse, coco-peat, grape, micropropagation, plantlet survival}, issn = {0972-8538}, author = {Barreto, M. S. and Nookaraju, A.} } @article { ISI:000245599400011, title = {Effect of halogen addition to monolayer protected gold nanoparticles}, journal = {Journal of Materials Chemistry}, volume = {17}, number = {16}, year = {2007}, month = {FEB}, pages = {1614-1619}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The effects of N-halosuccinimide and halogen addition to monolayer protected gold nanoparticles (Au NPs) dispersed in organic media are described. Contrary to the expectation that nanoparticles dispersed in organic media are stable against aggregation, N-iodosuccinimide addition induced aggregation of octadecylamine capped gold nanoparticles in chloroform or toluene. It was observed that even KI and CuI addition could bring about the aggregation though they are very sparingly soluble in organic solvents. It was also found that even molecular iodine could bring about the above mentioned aggregation. Interestingly, when CuI is used the aggregated structures readily convert to very thin flat nanostructures upon exposure to an electron beam or UV irradiation. In fact when the aggregation is induced by the addition of KI or N-iodosuccinamide we do not see the flattening of the aggregated structures exemplifying the important role of Cu ions in making these flat structures.
}, issn = {0959-9428}, doi = {10.1039/b614934k}, author = {Singh, Sanjay and Pasricha, Renu and Bhatta, Umananda M. and Satyam, P. V. and Sastry, Murali and Bhagavatula L. V. Prasad} } @article { ISI:000246727900022, title = {Effect of pretreatment conditions on the catalytic activity of nano-sized TPA/ZrO2 dispersed in SBA-15 channels in acetylation reactions}, journal = {Microporous and Mesoporous Materials}, volume = {102}, number = {1-3}, year = {2007}, month = {MAY}, pages = {223-233}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Acetylation of an aromatic compounds such as veratrole (1,2-dimethoxybenzene), anisole, thioanisole, isobutyl benzene and 2-methoxynaphthalene with acetic anhydride has been investigated over a nano-sized 12-tungstophosphoric acid (TPA)/22.4 wt.\%ZrO2/SBA- 15 catalysts in the liquid phase conditions. Catalysts with different (\%) TPA and zirconia loadings calcined at different temperatures were prepared by wet-impregnation and characterized by XRD, N-2 adsorption-desorption, FT-Rarnan, X-ray photoelectron spectroscopy (XPS). The acidic behavior of the catalyst was studied by TPD of ammonia and FT-IR pyridine adsorption. Among the catalysts, 15 wt.\%TPA/22.4 wt.\%ZrO2/SBA- 15 calcined at 1123 K had the highest acidity and was the most active catalyst in veratrole acetylation with acetic anhydride. (C) 2007 Elsevier Inc. All rights reserved.
}, keywords = {acetylation, SBA-15, TPA/ZrO2, veratrole, wet-impregnation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.12.046}, author = {Sawant, Dhanashri P. and Hartmann, Martin and Halligudi, Shivaraj B.} } @article { ISI:000246157400009, title = {Effect of sparger design on the flow in a bubble column: symbolic analysis of LDA data}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {10}, year = {2007}, month = {MAY}, pages = {2996-3007}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
This paper aims at developing a methodology that helps in the characterization of the effects of a single point and multipoint sparger on the flow patterns in a bubble column reactor. The methodology uses the simultaneously measured instantaneous velocity-time data (two orthogonal velocity components) using LDA at different measurement locations. The data sets are transformed into their equivalent description in terms of polar coordinates, viz., resultant velocity vector and angle. This information is further transformed in terms of symbolic representation in a binary number format. The covariance matrices obtained from the binary data are analyzed for their eigenvalues, and the spectrum is used for the identification of the dominant, energy containing modes in the data. In the vicinity of the sparger, the nature of covariance matrix and the eigenvalue spectrum for the single point sparger (SPS) data was significantly different from that of the multipoint sparger (MPS). In the bulk region, for both types of spargers, the nature of the eigenvalues and the number of dominant modes is seen to be different from the near sparger region. In general, more numbers of eigenvalues are required to capture the total energy in the data for a multipoint sparger when compared to a single point sparger. This suggests a higher level of complexities existing due to the intricate hydrodynamics for the multipoint sparger. The possible use of this methodology for practical purposes, e.g., identification of malfunctioning of gas-liquid sparger reactors is discussed.
}, issn = {0888-5885}, doi = {10.1021/ie060778e}, author = {Kulkarni, A. A. and Deshpande, Suvarna S. and Joshi, J. B. and Kumar, V. Ravi and Kulkarni, B. D.} } @article { ISI:000251631200005, title = {Effect of substituent polarity, bulk, and substitution site toward enhancing gas permeation in dibromohexafluorobisphenol-A based polyarylates}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {45}, number = {23}, year = {2007}, month = {DEC}, pages = {3156-3168}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The gas permeation properties of polyarylates were tuned by varying nature and site of substituents present on both of its monomers, viz., bisphenol and dicarboxylic acid. The phenyl rings of hexafluorobisphenol-A were substituted in asymmetric manner by polar bromine to obtain dibromohexafluorobisphenol-A. This bisphenol was polymerized with equimolar mixture of iso- and terephthalic acid (base case), bromo- and nitroterephthalic acid (polar group substituted acids), 4,4{\textquoteright}-hexafluoroisopropylidene bis(benzoic acid), and t-butyl isophthalic acid (bulky group containing acids). Physical properties and gas permeation properties of these polyarylates were investigated to assess combined effects of asymmetric nature of bisphenol substitution, polar nature of substituent bromine, hexafluoroisopropylidene group present at the bridge position of bisphenol, and substituent present on the acid moiety. The combination of these substituent types led these polyarylates to lie near Robeson upper bound. The gas sorption analysis and estimation of diffusivity in these polyarylates shed a light on observed variations in gas permeation properties by attempted structural variations. (c) 2007 Wiley Periodicals, Inc.
}, keywords = {asymmetric substitution, Diffusion, Gas permeation, gas sorption, polyarylates, selectivity, structure-property relations}, issn = {0887-6266}, doi = {10.1002/polb.21314}, author = {Ishole, Yogesh S. and Karadkar, Prasad R. and Kharul, Ulhas K.} } @article { ISI:000250556100042, title = {Effect of surface chemistry of Fe-Ni nanoparticles on mechanistic pathways of azo dye degradation}, journal = {Environmental Science \& Technology}, volume = {41}, number = {21}, year = {2007}, month = {NOV}, pages = {7437-7443}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The degradation of Orange G a monoazo dye, in aqueous solutions was investigated using as-synthesized and stored Fe-Ni bimetallic nanoparticles. Batch experiments with a nanocatalyst loading of 3 g/L showed complete. dye degradation (150 mg/L) after 10 min of reactiontime. HPLC-MS analysis of the degradation products showed that assynthesized nanoparticles reductively cleaved the azo linkage to produce aniline as the major degradation product. However, 1-year-stored nanoparticles showed an oxidative degradation of Orange G through a hydroxyl-radical induced coupling of parent and/or product molecules. XPS analysis in corroboration with HPLC-MS data showed that the surface chemistry between Fe and Ni in assynthesized and stored nanoparticles play a crucial role. in directing the mode of degradation. Reductive dye degradation using as-synthesized nanoparticles proceeded through hydride transfer from nickel, whereas formation of a Fe (2+) -Ni(0) galvanic cell in stored nanoparticles generated hydroxyl radicals from water in a nonFenton type reaction. The latter were responsible for the generation of radical centers on the dye molecule, which led to a coupling-mediated oxidative degradation of Orange G. The generation of hydroxyl radicals is further substantiated with radical quenching experiments using ascorbic acid indicating that stored nanoparticles degrade Orange G through a predominantly oxidative mechanism. HPLC-MS and XPS analysis of dye degradation using as-synthesized nanoparticles exposed to air and water confirmed that the reductive or oxidative degradation capability of Fe-Ni nanoparticles is decided by the time and type of catalyst aging process.
}, issn = {0013-936X}, doi = {10.1021/es071107q}, author = {Bokare, Alok D. and Chikate, Rajeev C. and Rode, Chandrashekhar V. and Paknikar, Kishore M.} } @article { ISI:000252219700011, title = {Efficient and practical total synthesis of (+/-)-alpha-cuparenone}, journal = {Synthesis-Stuttgart }, number = {24}, year = {2007}, month = {DEC}, pages = {3827-3830}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A one-pot cyclopentannulation approach as the key step for the total synthesis of (+/-)-alpha-cuparenone is described.
}, keywords = {Alkylation, annulation, hydroboration-oxidation, reduction}, issn = {0039-7881}, doi = {10.1055/s-2007-990899}, author = {Chavan, Subhash P. and Dhawane, Abasaheb N. and Kalkote, Uttam R.} } @article { ISI:000249607400033, title = {Efficient, eco-friendly process for aldol and Michael reactions of trimethylsilyl enolate over organic base-functionalized SBA-15 catalysts (vol 264, pg 146, 2007)}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {275}, number = {1-2}, year = {2007}, month = {SEP}, pages = {241}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.07.015}, author = {Srivastava, Rajendra} } @article {42465, title = {Efficient higher-order cycloaddition reactions of 8,8-dicyanoheptafulvenes with dienes}, journal = {Synthesis-Stuttgart }, year = {2007}, month = {JUN}, pages = {1833-1836}, type = {Article}, abstract = {
The cycloaddition reactions of 8,8-dicyanoheptafulvene with electron-rich dienes afforded the higher order cycloaddition products in excellent yields. With cyclic dienes as well as dimeth-oxybutadiene the [8+2] adducts were obtained exclusively. With methyl- and dimethylbutadienes the [6+4] adducts were the only products isolated.
}, keywords = {cycloadditions - bicyclic compounds - polycycles - di-cyanoheptafulvene - tetrahydroazulenes}, doi = {10.1055/s-2007-983711}, author = {Nair, Vijay and Gopalakrishnan Abhilash, K. and Biju, Akkattu T. and Eringathodi, Suresh} } @article { ISI:000242759500013, title = {Efficient N-arylation of amines catalyzed by Cu-Fe-hydrotalcite}, journal = {Catalysis Communications}, volume = {8}, number = {1}, year = {2007}, month = {JAN}, pages = {65-68}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
An efficient N-arylation of amines with aryl halides in presence of heterogeneous recyclable Cu-Fe-hydrotalcite catalyst has been developed. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {amines, Aryl halides, Cu-Fe-hydrotalcite, heterogeneous catalyst, N-arylation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.05.030}, author = {Jadhav, Vinod H. and Dumbre, Deepa K. and Phapale, Vilas B. and Borate, Hanumant B. and Wakharkar, Radhika D.} } @article { ISI:000246431300013, title = {Efficient one-pot synthesis of alpha-amino phosphonates catalyzed by bismuth nitrate pentahydrate}, journal = {Synlett}, number = {5}, year = {2007}, month = {MAR}, pages = {745-748}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A simple, efficient, and environmentally benign method has been developed for the synthesis of alpha-amino phosphonates through a one-pot reaction of aldehydes with amines and diethyl phosphite in the presence of bismuth nitrate pentahydrate as a catalyst. Some of the major advantages of this protocol are: good yields, the involvement of a less-expensive and non-toxic catalyst, mild and solvent-free reaction conditions and also tolerance towards other functional groups present in the substrates. Eighteen examples are described, highlighting the substrate scope of the reaction.
}, keywords = {aldehydes, alkyl phosphite, alpha-amino phosphonates, amines, bismuth nitrate pentahydrate, synthetic methods}, issn = {0936-5214}, doi = {10.1055/s-2007-970762}, author = {Bhattacharya, Asish K. and Kaur, Tanpreet} } @article { ISI:000251621900034, title = {Efficient organocatalytic route to the atorvastatin side-chain}, journal = {Tetrahedron Letter}, volume = {48}, number = {48}, year = {2007}, month = {NOV}, pages = {8544-8546}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An organocatalytic route to the synthesis of the atorvastatin side-chain, a building block present in the statin family, is described using L-proline-catalyzed alpha-aminooxylation of an aldehyde. The method also employs an iodine-induced intramolecular electrophilic cyclization of a carbonate to produce the iodocarbonate in a highly diastereoselective manner. (C) 2007 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.09.133}, author = {George, Shyla and Sudalai, Arumugam} } @article { ISI:000252094200024, title = {Efficient synthesis of 2,4-disubstituted thiazoles using ionic liquid under ambient conditions: a practical approach towards the synthesis of Fanetizole}, journal = {Tetrahedron }, volume = {63}, number = {45}, year = {2007}, month = {NOV}, pages = {11066-11069}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A highly efficient and rapid synthesis of 2-amino-4-arylthiazoles and 2-methyl-4-arylthiazole from alpha-bromoketone and thiourea/thioamide is described using room temperature ionic liquid at ambient conditions. The method is simple, rapid and practical, generating thiazole derivatives in excellent isolated yields. This protocol is utilized for a commercially feasible synthesis of an anti-inflammatory agent, Fanetizole. (c) 2007 Published by Elsevier Ltd.
}, keywords = {alpha-bromo ketone, ionic liquids, thiazoles, thiourea/thioamide}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.08.036}, author = {Potewar, Taterao M. and Ingale, Sachin A. and Srinivasan, Kumar V.} } @article { ISI:000249394900019, title = {Efficient synthesis of azetidine-2,3-diones from L-(+)-diethyl tartrate}, journal = {Synlett}, number = {14}, year = {2007}, month = {SEP}, pages = {2242-2246}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A convenient route to enantiopure azetidine-2,3-diones is described. The chiral ketene generated from commercially available L-(+)-diethyl tartrate on Staudinger cycloaddition with different imines gave spiro-beta-lactams in good yields. These spiro-beta-lactams were transformed into azetidine-2,3-diones in excellent yields in a two-step process.
}, keywords = {Cycloaddition, imines, lactams, spiro compounds, stereoselective synthesis}, issn = {0936-5214}, doi = {10.1055/s-2007-985563}, author = {Chincholkar, Pinak M. and Puranik, Vedavati G. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000246682000006, title = {Efficient synthesis of fused 1,2,3-triazolo-delta-lactams using huisgen [3+2] dipolar cycloaddition {\textquoteleft}{\textquoteleft}click-chemistry{\textquoteright}{\textquoteright} in water}, journal = {Chemistry Letters}, volume = {36}, number = {5}, year = {2007}, month = {MAY}, pages = {592-593}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
A general approach for the quick synthesis of various 1,2,3-triazolo-delta-lactams has been described, which involves the Huisgen [3 + 2] dipolar cycloaddition of azides derived from different amino acids with dimethyl acetylenedicarboxylate in water followed by cyclization.
}, issn = {0366-7022}, doi = {10.1246/cl.2007.592}, author = {Kumar, Indresh and Rode, Chandrashekhar V.} } @article { ISI:000243519300018, title = {Efficient total synthesis of (-)-(3S,6R)-3,6-dihydroxy-10-methylundecanoic acid}, journal = {European Journal of Organic Chemistry}, number = {2}, year = {2007}, month = {JAN}, pages = {369-373}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
An efficient enantioselective synthesis of (-)-(3S,6R)-3,6-dihydroxy-10-methylundecanoic acid (1) from epichlorohydrin is described. The key steps include Jacobsen{\textquoteright}s HKR, Sharpless asymmetric dihydroxylation, regioselective opening of epoxide and cyclic sulfate. ((c) Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheim, Germany, 2007).
}, keywords = {cyclic sulfate, Dihydroxylation, Grignard reaction, hydroboration-oxidation, Jacobsen{\textquoteright}s hydrolytic kinetic resolution (HKR), regio selectivity}, issn = {1434-193X}, doi = {10.1002/ejoc.200600690}, author = {Pandey, Satyendra Kumar and Kumar, Pradeep} } @article { ISI:000241912700017, title = {Electrochromic device (ECD) cell characterization on electron beam evaporated MoO3 films by intercalating/deintercalating the H+ ions}, journal = {Current Applied Physics}, volume = {7}, number = {1}, year = {2007}, month = {JAN}, pages = {76-86}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Thin films of molybdenum oxide (MoO3) is one of the most interesting layered intercalation materials because of its excellent application in solid state batteries, large-area window and display systems. In recent years there has been considerable interest in variable transmittance electrochromic devices (ECD) based on Li+, H+ and K+ intercalation in transition metal oxide (MoO3) thin films. In the present investigation, thin films of MoO3 were prepared by electron beam evaporation technique on microscopic glass and fluorine doped tin oxide (FTO) coated glass substrates for the application in electrochromic device cells. The compositional stoichiometry of the films was studied by X-ray photoelectron spectroscopy (XPS). The electrochromic nature of the films has been analyzed by inserting H+ ions from the H2SO4 electrolyte solution using the cyclic-voltammetry (CV) technique. We studied the electrochromic device cells (ECD) incorporating an evaporated MoO3 thin films as electrochromic layers. The devices exhibit good optical properties with low transmittance values in the colored state, which make them suitable for large-area window applications. The maximum coloration efficiency of the cell was observed at about 70 cm(2)/c. (c) 2005 Published by Elsevier B.V.
}, keywords = {coloration efficiency, electrochromic device cells, molybdenum oxide thin films, optical density, stoichiometry}, issn = {1567-1739}, doi = {10.1016/j.cap.2005.12.001}, author = {Sivakumar, R. and Gopinath, Chinnakonda S. and Jayachandran, M. and Sanjeeviraja, C.} } @article { ISI:000249667400056, title = {Electronic structure of spherical quantum dots using coupled cluster method}, journal = {Journal of Chemical Physics}, volume = {127}, number = {11}, year = {2007}, month = {SEP}, pages = {114708}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
2, 6, 12, and 20 electron quantum dots have been studied using coupled cluster at singles and doubles level and extensive multireference coupled cluster (MRCC) method. A Fock-space version of MRCC (FSMRCC) containing single hole-particle excited determinants has been used to calculate low-lying excited states of the above system. The ionization potential and electron affinity are also calculated. The effect of correlation energy on excitation energy and charge density is shown by calculating them at the high density region (low value of density parameter r(s)) and at the low density region (high value of density parameter r(s)). (c) 2007 American Institute of Physics.
}, issn = {0021-9606}, doi = {10.1063/1.2768523}, author = {Heidari, Ideh and Pal, Sourav and Pujari, B. S. and Kanhere, Dilip G.} } @article { ISI:000243492800021, title = {Enantiomeric separation of novel anticancer agent 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2-en- 1-one}, journal = {Journal of Chromatography A}, volume = {1138}, number = {1-2}, year = {2007}, month = {JAN}, pages = {184-189}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The enantiomers of 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2-en- 1-one, a novel anticancer agent, were separated by derivatisation with caronaldehyde, separation of the resulting diastereoisomers of the corresponding esters by silica gel column chromatography and regeneration of alcohols (S)-5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2 -en-1-one and (R)5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2- en- 1-one under aqueous conditions. The absolute configuration of the enantiomers was determined by H-1 NMR studies of the corresponding Mosher esters. Alternatively, the enantiomers were separated by preparative HPLC to collect the (S)- and (R)-5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2 -en-1-ones with high purity which was comparable with that obtained by the chemical method. The details of these methods have been presented herein. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Anticancer, column chromatography, diaryl cyclopentenone, diastereoisomers, enantioseparation, HPLC, Resolution}, issn = {0021-9673}, doi = {10.1016/j.chroma.2006.10.076}, author = {Shinde, Popat D. and Jadhav, Vinod H. and Borate, Hanumant B. and Bhide, Sunil R. and Sonawane, Kiran B. and Wakharkar, Radhika D.} } @article {Shanbhag, title = {Enantioselective syntheses of (-)-pinellic acid, alpha- and beta-dimorphecolic acid}, journal = {Tetrahedron}, volume = {63}, number = {32}, year = {2007}, month = {AUG}, pages = {7624-7633}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient enantioselective convergent approach for the synthesis of (-)-pinellic acid 1, alpha- and beta- dimorphecolic acid (2 and 3) from 1,9-nonane diol is described. The synthetic strategy features Sharpless asymmetric hydroxylation, Sonogashira coupling and Birch reduction. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {asymmetric dihydroxylation, influenza, Sonogashira coupling}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.05.047}, author = {Baruah, Pranjal K. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article { ISI:000243630300013, title = {Enantioselective synthesis of (-)-cytoxazone and (+)-epi-cytoxazone via Rh-catalyzed diastereoselective oxidative C-H aminations}, journal = {Tetrahedron Letter}, volume = {48}, number = {1}, year = {2007}, month = {JAN}, pages = {65-68}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient enantioselective synthesis of (-)-cytoxazone (1) and (+)-epi-eytoxazone (2) using proline-catalyzed asymmetric alpha-amino-oxylation of aldehydes followed by Rh-catalyzed diastereoselective oxidative C-H amination as the key steps is described. syn or anti 1,2-aminoalcohols were obtained by Rh-catalyzed intramolecular amidation of the C-H bonds of carbamates or sulfamate esters with good to excellent diastereoselectivity. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.016}, author = {Narina, Srinivasarao V. and Kumar, Talluri Siva and George, Shyla and Sudalai, Arumugam} } @article { ISI:000245388700011, title = {Enantioselective synthesis of (-)-pinellic acid}, journal = {Tetrahedron Letter}, volume = {48}, number = {13}, year = {2007}, month = {MAR}, pages = {2279-2282}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An enantioselective convergent approach toward the total synthesis of pinellic acid 1 from 1,9-nonanediol is described. The synthetic strategy features iterative Sharpless asymmetric dihydroxylation, Sonogashira coupling and Birch reduction. (c) 2007 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.01.163}, author = {Naidu, S. Vasudeva and Kumar, Pradeep} } @article { ISI:000250607100014, title = {Enantioselective synthesis of (S)-dapoxetine}, journal = {Tetrahedron-Asymmetry}, volume = {18}, number = {17}, year = {2007}, month = {SEP}, pages = {2099-2103}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient enantioselective synthesis leading directly to (+)-(S)-dapoxetine has been described for the first time using Sharpless asymmetric dihydroxylation, Barton-McCombie deoxygention, and Mitsunobu reaction as the key steps. (C) 2007 Published by Elsevier Ltd.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2007.07.028}, author = {Siddiqui, Shafi A. and Srinivasan, Kumar V.} } @article { ISI:000248356100011, title = {Enantioselective synthesis of (S)-timolol via kinetic resolution of terminal epoxides and dihydroxylation of allylamines}, journal = {Tetrahedron}, volume = {63}, number = {14}, year = {2007}, month = {APR}, pages = {3026-3030}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient enantioselective synthesis of (S)-timolol has been described using chiral Co-salen-catalyzed kinetic resolution of less expensive (+/-)-epichlorohydrin with 3-hydroxy-4-(N-morpholino)-1,2,5-thiadiazole in good overall yield (55\%) and excellent enantioselectivity (98\%). Synthesis of (S)-timolol has also been achieved using hydrolytic kinetic resolution as well as asymmetric dihydroxylation routes in 90\% ee and 56\% ee, respectively. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {asymmetric reactions, diols, epoxides, Kinetic resolution, oxazolidinone}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.01.057}, author = {Narina, Srinivasarao V. and Sudalai, Arumugam} } @article { ISI:000247278400009, title = {Enantioselective synthesis of tarchonanthuslactone using proline-catalyzed asymmetric alpha-aminooxylation}, journal = {Tetrahedron-Asymmetry}, volume = {18}, number = {8}, year = {2007}, month = {MAY}, pages = {975-981}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A practical enantio selective synthesis of tarchonanthuslactone 1, an important natural product with a polyol unit, is described. The sequence of synthetic reactions involves proline-catalyzed alpha-aminooxylation and iodine-induced electrophilic cyclization as the chiral inducing steps. (c) 2007 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2007.04.008}, author = {George, Shyla and Sudalai, Arurnugam} } @article {Joshi, title = {Encapsulation of endoglucanase using a biopolymer Gum arabic for its controlled release}, journal = {Bioresource Technology}, volume = {98}, number = {2}, year = {2007}, month = {JAN}, pages = {368-372}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{Gum Arabic, a biodegradable natural polymer was used as a matrix to encapsulate endoglucanase from Thermomonospora sp. The modified enzyme retained complete biocatalytic activity and exhibited a shift in the optimum temperature [
}, keywords = {Enzyme catalysis, OPTA, Thermomonospora sp., Xylanase}, issn = {1525-7797}, author = {Ramakrishnan, Anish and Pandit, Nilesh and Badgujar, Mahesh and Bhaskar, C. and Rao, Mala} } @article { ISI:000245870400056, title = {Energy analysis of field emitted electrons from a ZnO tetrapod}, journal = {Applied Physics Letters}, volume = {90}, number = {16}, year = {2007}, month = {APR}, pages = {Article No. 162102}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
The experimental total energy distribution (TED) of the field emitted electrons from a single pod of a ZnO tetrapod has been obtained, exhibiting a two-peak feature. The energy difference between the two peaks in the TED is found to be nearly equal to the band gap of the bulk ZnO. The results show that field emitted electrons originate from both the conduction and valence bands. The peak position dependence on the applied voltage has also been observed. In the present case, the size of the ZnO tetrapod is not small enough to reflect the quantum confinement effects.
}, issn = {0003-6951}, doi = {10.1063/1.2723199}, author = {Al-Tabbakh, Ahmed A. and More, Mahendra A. and Joag, Dilip S. and Ramgir, Niranjan S. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article {45}, title = {Enforcing periodic secondary structures in hybrid peptides: a novel hybrid foldamer containing periodic gamma-turn motifs}, journal = {Journal of Organic Chemistry}, volume = {72}, number = {2}, year = {2007}, month = {JAN}, pages = {636-639}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
{This note describes the design, synthesis, and conformational studies of a novel hybrid foldamer that adopts a definite compact, three-dimensional structure determined by a combined effect of the special conformational properties of the foldamer constituents. The striking feature of this de novo designed foldamer is its ability to display periodic gamma-turn conformations stabilized by intramolecular hydrogen bonds. Conformational investigations by single-crystal X-ray studies, solution-state NMR, and ab initio MO theory at the HF/6-31G*
}, keywords = {ammonia-TPD, benzylation reaction, Ce-Al-MCM-41, Friedel-Crafts alkylation, pyridine-FrIR}, issn = {0935-9648}, doi = {10.1021/jo062032w}, author = {Baruah, Pranjal K. and Sreedevi, N. K. and Gonnade, Rajesh G. and Ravindranathan, Sapna and Damodaran, Krishnan and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000246431600023, title = {Enhanced permeability and dielectric constant of NiZn ferrite synthesized in nanocrystalline form by a combustion method}, journal = {Journal of the American Ceramic Society}, volume = {90}, number = {5}, year = {2007}, month = {MAY}, pages = {1494-1499}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
The performance parameters of Ni0.5Zn0.5Fe2O4, synthesized in the nanocrystalline form by an autocombustion method, have been investigated. The sample sintered at 1200 degrees C, with Bi2O3 as additive shows a very high value of initial permeability mu{\textquoteright}(i) of \> 400 at 1 MHz, with low loss. Similarly, a very high dielectric constant is obtained at lower frequencies. The results show that optimum magnetic and electrical properties can be achieved for the NiZn ferrite nanocrystalline powders synthesized by the present autocombustion method and sintered at a relatively lower temperature of 1200 degrees C when compared with a temperature of 1400 degrees C required for the materials synthesized by the conventional ceramic method.
}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2007.01560.x}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000243707500003, title = {Enhancement of the phase transformation temperature of gamma-Fe2O3 by Zn2+ doping}, journal = {Journal of Materials Chemistry}, volume = {17}, number = {5}, year = {2007}, month = {JAN}, pages = {453-456}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The phase transformation temperature of gamma-Fe2O3 to alpha-Fe2O3 is increased with Zn2+ doping and enhancement of the transition temperature by similar to 100 degrees C is obtained for doping of \>= 15 mol\% Zn in nanocrystalline gamma-Fe2O3 synthesized by an autocombustion method.
}, issn = {0959-9428}, doi = {10.1039/b616120k}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000251244900020, title = {Environmentally benign catalytic hydroformylation-oxidation route for naproxen synthesis}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {25}, year = {2007}, note = {Joint 6th International Symposium on Catalysis in Multiphase Reactors/5th International Symposium on Multifunctional Reactors (CAMURE-6/ISMR-5-), Pune, INDIA, JAN 14-17, 2007}, month = {DEC}, pages = {8480-8489}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Hydroformylation of 6-methoxy-2-vinylnaphthalene (MVN), using homogeneous Rh(CO)acac) as a catalyst and a chelating bidentate ligand (1,2-bis-(diphenylphosphino) ethane, dppe), followed by oxidation of the product (2-(6-methoxynaphthyl) propanal, 2-MNP) has been studied as an alternative route for the synthesis Of D,L-naproxen. The feasibility of the MVN hydroformylation route has been demonstrated, and a detailed study has been reported on the key hydroformylation step. The roles of the catalyst, ligands, and solvents, as well as the effect of reaction conditions on the reaction rate and regioselectivity of the product 2-MNP, have been investigated. With Rh(CO)2(acac) as a catalyst and dppe as a ligand, \> 98\% selectivity to 2-MNP (an important precursor to D,L-naproxen) has been achieved. A possible mechanism to explain the variation in regioselectivity with Rh(CO)(2)(acac) as a catalyst and dppe as a ligand has been discussed. The kinetics of the hydroformylation step has been investigated and a rate equation has been proposed. The second step in the proposed route for naproxen-the oxidation of 2-MNP to 2-(6-methoxynaphthyl) propanoic acid (2-MNPA, or naproxen) - has been studied using Na2WO4 as a catalyst and tetrabutyl ammonium hydrogen sulfate (TBAHS) as the phase-transfer catalyst with H2O2 as the oxidant for the first time. Screening of the catalysts that consisted of the early transition metals, such as salts of tungsten, vanadium, and molybdenum showed that Na2WO4 gives the best performance for the oxidation step with \> 80\% selectivity to 2-(6-methoxynaphthyl)propanoic acid (2-MNPA/naproxen). This study would be valuable in developing a new environmentally benign route for naproxen synthesis.
}, issn = {0888-5885}, doi = {10.1021/ie0700866}, author = {Rajurkar, Kalpendra B. and Tonde, Sunil S. and Didgikar, Mahesh R. and Joshi, Sunil S. and Chaudhari, Raghunath V.} } @article { ISI:000243799400004, title = {Estimation of gross calorific value of coals using artificial neural networks}, journal = {Fuel}, volume = {86}, number = {3}, year = {2007}, month = {FEB}, pages = {334-344}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The gross calorific value (GCV) is an important property defining the energy content and thereby efficiency of fuels, such as coals. There exist a number of correlations for estimating the GCV of a coal sample based upon its proximate and/or ultimate analyses. These correlations are mainly linear in character although there are indications that the relationship between the GCV and a few constituents of the proximate and ultimate analyses could be nonlinear. Accordingly, in this paper a total of seven nonlinear models have been developed using the artificial neural networks (ANN) methodology for the estimation of GCV with a special focus on Indian coals. The comprehensive ANN model developed here uses all the major constituents of the proximate and ultimate analyses as inputs while the remaining six sub-models use different combinations of the constituents of the stated analyses. It has been found that the GCV prediction accuracy of all the models is excellent with the comprehensive model being the most accurate GCV predictor. Also, the performance of the ANN models has been found to be consistently better than that of their linear counterparts. Additionally, a sensitivity analysis of the comprehensive ANN model has been performed to identify the important model inputs, which significantly affect the GCV. The ANN-based modeling approach illustrated in this paper is sufficiently general and thus can be gainfully extended for estimating the GCV of a wide spectrum of solid, liquid and gaseous fuels. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {Artificial neural network, gross calorific value (GCV), proximate and ultimate analyses}, issn = {0016-2361}, doi = {10.1016/j.fuel.2006.07.036}, author = {Patel, Shagufta U. and Kumar, B. Jeevan and Badhe, Yogesh P. and Sharma, B. K. and Saha, Sujan and Biswas, Subhasish and Chaudhury, Asim and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @conference { ISI:000291657600254, title = {Ethane bridged hybrid mesoporous silsesquioxanes with sulfonic acid functionalities: synthesis, characterization and catalytic applications}, booktitle = {From Zeolites to Porous Mof Materials: the 40th Anniversary of International Zeolite Conference, Proceedings of the 15th International Zeolite Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1899-1904}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {
Periodic mesoporous organosilicas having -CH(2)-CH(2)- groups in the framewall positions and sulfonic acid groups in the pore channels were prepared using 1,2-bis(triethoxysilyl) ethane, 3-mercaptopropyltriethoxysilane and cetyltrimethylammonium surfactant, under basic conditions, by a one-pot synthesis method. XRD, N(2) sorption isotherm and TEM analysis revealed that the mesoporous structural ordering is retained after the functionalization of organic groups while solid-state NMR techniques like (13)C CP MAS NMR and (29)Si MAS NMR show the presence of sulfonic acid groups and the stability of the mesoporous framework with integrated ethane moieties as bridging groups. The hybrid material was more active, selective and stable than the conventional sulfonic acid containing mesoporous catalysts in the Claisen-Schmidt condensation of acetophenone with benzaldehyde to form chalcone.
}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Shylesh, S. and Samuel, Prinson P. and Parischa, Renu and Singh, A. P.}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000253591400005, title = {Excellent exo/endo-selectivity in the 1,3-dipolar cycloaddition of cyclic azomethine ylide: exploring the facile investigation of cocaine antagonists}, journal = {Letters in Organic Chemistry}, volume = {4}, number = {8}, year = {2007}, month = {JAN}, pages = {550-552}, publisher = {BENTHAM SCIENCE PUBL LTD}, type = {Article}, chapter = {JAN}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
High exo-selectivity was achieved in the 1,3-dipolar cycloaddition of a cyclic azomethine ylide and phenyl vinyl sulfone or Opplozer{\textquoteright}s camphorsultam chiral dipolarophile leading to the synthesis of two novel tropane compounds.
}, keywords = {1, 3-dipolar cycloaddition, cocaine antagonists, cyclic azomethine ylide, exo/endo-selectivity., tropane}, issn = {1570-1786}, doi = {10.2174/157017807782795448}, author = {Laha, Joydev K.} } @article { ISI:000248062700019, title = {Exhaustive analysis of frontal copolymerization of functionalized monovinyl and divinyl monomers}, journal = {Chemistry-A European Journal}, volume = {13}, number = {20}, year = {2007}, month = {APR}, pages = {5862-5872}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A series of copolymers of 2-hydroxyethyl methacrylate (HEMA)/ glycidyl methacrylate (GMA) and ethylene dimethacrylate (EGDM) were synthesized by frontal polymerization (FP). This study was conducted to investigate the effect of crosslink density, type and concentration of initiator, the use of a complex initiator system, porogen, and diluent on the most relevant parameters of FP, such as sustainability of the front, temperature profile, front velocity, and yield. The products were also characterized for intruded pore volume, pore-size distribution, epoxy-functionality number, and surface morphology. Higher crosslink densities (CLDs) and initiator concentration produced higher front velocities, whereas no trend in front temperature was noted. A complex initiation system was effective in stabilizing and increasing the polymerization yield. Relative to suspension polymerization (SP), FP products synthesized without a solvent were microporous, whereas micro-to-macroporous products were obtained in the presence of a solvent (for HEMA-EGDM polymers). We also present, explain, and discuss the exotic patterns observed under a microscope. We observed two basic types of spatial patterns, namely, planar and nonplanar patterns. The type of planar pattern observed under scanning electron microscopy (SEM) has a spatial impulse that appears as a loop followed by regular periodic motion in the radial and axial directions. This behavior gives rise to a repeating pattern that is a few microns thick. Also, nonplanar patterns, namely, layered concentric rings and winding staircase patterns, were observed under SEM.
}, keywords = {copolymerization, patterns, Polymers, porosity}, issn = {0947-6539}, doi = {10.1002/chem.200601428}, author = {Pujari, Narahari S. and Inamdar, Satish R. and Ambekar, Jalindar D. and Kulkarni, B. D. and Ponrathnam, Surendra} } @article { ISI:000251275500002, title = {Expeditious assembly of 3,4-benzannulated 8-oxabicyclo[3.2.1]octane systems by [2+2+2] alkyne cyclotrimerisation: Total synthesis of (-)-bruguierol A}, journal = {European Journal of Organic Chemistry}, number = {33}, year = {2007}, month = {NOV}, pages = {5483-5486}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Facile construction of benzene-fused 8-oxabicyclo[3.2.1]octane systems by employing a cross alkyne cyclotrimerisation reaction was explored. With this procedure, (-)-bruguierol A was synthesised, and its absolute configuration was established.
}, keywords = {cyclotrimerisation, epoxidation, Total synthesis, Wilkinson{\textquoteright}s catalyst}, issn = {1434-193X}, doi = {10.1002/ejoc.200700648}, author = {Ramana, Chepuri V. and Salian, Sumanth R. and Gonnade, Rajesh G.} } @article { ISI:000250234900007, title = {Fabrication of an effusive molecular beam instrument for surface reaction kinetics - CO oxidation and NO reduction on Pd(111) surfaces}, journal = {Catalysis Letters}, volume = {119}, number = {1-2}, year = {2007}, month = {NOV}, pages = {50-58}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
A simple molecular beam instrument (MBI) was fabricated for measuring the fundamental parameters in catalysis such as, sticking coefficient, transient and steady state kinetics and reaction mechanism of gas/vapor phase reactions on metal surfaces. Important aspects of MBI fabrication are given in detail. Nitric oxide (NO) decomposition and NO reduction with carbon monoxide (CO) on Pd(111) surfaces were studied. Interesting results were observed for the above reactions and they support the efficiency of the MBI to derive the fundamental parameters of adsorption and catalysis. Sustenance of CO oxidation at 400 K is dependent mostly on the absence of CO-poisoning; apparently, CO + O recombination is the rate determining step \<= 400 K. NO adsorption measurements on Pd(111) surface clearly indicating a typical precursor kinetics. Displacement of the chemisorbed CO by NO on Pd(111) surfaces was observed directly with NO + CO beams in the transient kinetics. It is also relatively easy to identify the rate-determining step directly from the MBI data and the same was demonstrated for the above reactions.
}, keywords = {carbon monoxide, catalysis, kinetics, molecular beam, nitric oxide, Pd(111)}, issn = {1011-372X}, doi = {10.1007/s10562-007-9184-8}, author = {Thirunavukkarasu, Kandasamy and Gopinath, Chinnakonda S.} } @article { ISI:000245903300012, title = {Fabrication of MEMS composite-polymer gas sensor arrays for electronic nose}, journal = {Indian Journal of Pure \& Applied Physics}, volume = {45}, number = {4}, year = {2007}, note = {Indo-Chinese Workshop on Micro Electron Mechanical Systems (MEMS) and Related Technologies, Natl Phys Lab, New Delhi, INDIA, APR 05-07, 2006}, month = {APR}, pages = {321-325}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article, Proceeding Paper}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
Sensor arrays capable of sensing different gases combined with a sampling system and a means of pattern classification and recognition comprise a basic system for an {\textquoteleft}Electronic Nose{\textquoteright} In the present work, a complete process for the fabrication of micro-cavities with sensing electrodes and volumes ranging from 2.5 to 12 nano-liters for the development of polymer gas sensors has been reported. An array of eight sensing cells in four sizes have been fabricated using SU-8 negative tone resist through UV-LIGA process developed at CEERI, Pilani. The length and width of the SU-8 cavities are: 250 x 250, 300 x 300, 500 x 500 and 500 x 600 micron and the depth of each of them was optimized to be 40 micron. These cavities filled with different polymer composites comprise the basic sensing cells for a variety of gases. The current paper presents the salient features of the fabrication process in detail and the results obtained in ethanol and methanol ambient using a polymer composite developed through dissolution of styrene and polyaniline in PMMA. A number of other composites such as Pc-Ppy, Pr-Ppy, Fc(+)-PPy have also been synthesized and tested for a high sensitivity in carbon monoxide.
}, keywords = {composite polymer, conducting polymer, electronic nose, polymer gas sensor, selectivity, sensitivity, sensor array}, issn = {0019-5596}, author = {Pant, B. D. and Kutnar, Mahesh and Lakshmi, Subha and Arora, Anil and Prasad, Mahanth and Sharma, Akshdeep and Patel, Mohan and Radhakrishnan, S. and Dwivedi, V. K.} } @article { ISI:000243735500042, title = {Facile chemo-, regio-, and diastereoselective approach to cis-3,5-disubstituted gamma-butyrolactones and fused gamma-butyrolactones}, journal = {Journal of Organic Chemistry}, volume = {72}, number = {3}, year = {2007}, month = {FEB}, pages = {1009-1012}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Chemoselective S(N)2{\textquoteright} condensation of primary enolates of alkyl methyl ketones 2a-e with dimethyl bromomethylfumarate ( 1) followed by highly diastereoselective NaBH4 reduction of the ketone function in the formed ketodiesters 3a-e and the regioselective in situ lactonization of the unisolable intermediates 4a-e exclusively furnished the cis-3,5-disubstituted gamma-butyrolactones (+/-)-5a-e in very good yields. Similarly, the face-selective coupling reaction of cyclohexanone enolate with 1 to form a mixture of diastereomers in an 8: 2 ratio followed by a highly selective reductive cyclization of 9 plus 10 exclusively provided the cis-octahydrobenzofuran (+/-)- 12 in 70\% overall yield.
}, issn = {0022-3263}, doi = {10.1021/jo0619128}, author = {Baag, Md. Merajuddin and Puranik, Vedavati G. and N. P. Argade} } @article { ISI:000244773600022, title = {Facile phenol-driven intramolecular diastereoselective thermal/base-catalyzed dipolar [2+2] annulation reactions: an easy access to complex bioactive natural and unnatural benzopyran congeners}, journal = {Journal of Organic Chemistry}, volume = {72}, number = {6}, year = {2007}, month = {MAR}, pages = {2068-2076}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The complex bioactive natural and unnatural benzopyran congeners have been synthesized using one-/two-step approaches in very good yields from the reactions of two different dihydroxyphthalides, natural resorcyclic acid derivative, and trihydroxybenzophenone with citral and/or farnesal, via the phenol-driven intramolecular diastereoselective thermal/base-catalyzed dipolar [2 + 2] cycloaddition reactions and three different thermal intramolecular cyclization reactions. The effects of the nature and the position of phenolic groups in the starting materials on the course of these cycloaddition reactions have also been described. Depending upon the absence or presence of intramolecular hydrogen bonding of the phenolic group with the carbonyl moiety in the starting materials, these phenol-driven intramolecular thermal/base-catalyzed dipolar [2 + 2] cycloaddition reactions either furnished the kinetically controlled products or directly formed the thermodynamically controlled rearranged products, respectively.
}, issn = {0022-3263}, doi = {10.1021/jo0624344}, author = {Mondal, Mukulesh and Puranik, Vedavati G. and N. P. Argade} } @article {42603, title = {Facile S(N)2 {\textquoteright} coupling reactions of wittig reagents with dimethyl bromomethylfumarate: synthesis of enes, dienes, and related natural products}, journal = {Journal of Organic Chemistry}, volume = {72}, year = {2007}, month = {JUL}, pages = {4900-4904}, type = {Article}, doi = {10.1021/jo070728z}, author = {Patel, Ramesh M. and N. P. Argade} } @article { ISI:000243819800014, title = {Facile total synthesis of (+/-)-alpha-cuparenone employing diallylation and RCM as key steps}, journal = {Tetrahedron Letter}, volume = {48}, number = {6}, year = {2007}, month = {FEB}, pages = {965-966}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short and concise total synthesis of alpha-cuparenone employing one-pot diallylation and RCM as the key steps is described. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.12.023}, author = {Chavan, Subhash P. and Dhawane, Abasaheb N. and Kalkote, Uttam R.} } @conference { ISI:000252140200008, title = {Fault diagnosis using dynamic time warping}, booktitle = {Pattern Recognition and Machine Intelligence, Proceedings}, series = {LECTURE NOTES IN COMPUTER SCIENCE}, volume = {4815}, year = {2007}, note = {2nd International Conference on Pattern Recognition and Machine Intelligence, Calcutta, INDIA, DEC 18-22, 2007}, month = {DEC}, pages = {57-66}, publisher = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, organization = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, address = {Heidelberger Platz 3, D-14197 Berlin, Germany}, abstract = {
Owing to the superiority of Dynamic Time Warping as a similarity measure of time series, it can become an effective tool for fault diagnosis in chemical process plants. However, direct application of Dynamic Time Warping can be computationally inefficient, given the complexity involved. In this work we have tackled this problem by employing a warping window constraint and a Lower Bounding measure. A novel methodology for online fault diagnosis with Dynamic Time Warping has been suggested and its performance has been investigated using two simulated case studies.
}, isbn = {978-3-540-77045-9}, issn = {0302-9743}, author = {Rajshekhar and Gupta, Ankur and Samanta, A. N. and Kulkarni, B. D. and Jayaraman, Valadi K.}, editor = {Ghosh, A. and De, R. K. and Pal, S. K.} } @article { ISI:000245301300004, title = {Ferroelectric and ferromagnetic properties of (x)BaTiO3+(1-x)Ni0.94Co0.01Cu0.05Fe2O4 composite}, journal = {Journal of Physics D-Applied Physics}, volume = {40}, number = {7}, year = {2007}, month = {APR}, pages = {1864-1868}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
A group of elastically coupled ferroelectric and ferrite composites with the general formula (x) BaTiO3 + (1 - x) Ni0.94Co0.01Cu0.05Fe2O4 (where x = 0.85, 0.70 and 0.55) was prepared by the standard ceramic reaction method. The x-ray diffraction pattern of the composite reveals a spinel phase formation for the ferrite and perovskite phase formation for the ferroelectric phase without any other phase. The SEM micrographs were taken to determine the average grain size. The sintered composites exhibit typical hysteresis loops at room temperature. The effect of constituent phase variation on the hysteresis behaviour and the dielectric properties was examined. The parameters such as spontaneous polarization (P-s), breakdown voltage (E-b) and saturation magnetization (M-s) of the composites vary with the ferroelectric/ ferrite content. The temperature dependence of dielectric behaviour at a frequency of 1 kHz was also studied. With increasing content of BaTiO3, the dielectric constant increases and the Curie temperature decreases.
}, issn = {0022-3727}, doi = {10.1088/0022-3727/40/7/004}, author = {Devan, R. S. and Deshpande, S. B. and Chougule, B. K.} } @article {42684, title = {Ferromagnetic resonance in nanomagnetic metal core and noble metal shell systems}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, year = {2007}, month = {SEP}, pages = {3134-3139}, type = {Article}, abstract = {
The change in the line widths in the ferromagnetic resonance (FMR) spectra of Co and Ni nanoparticles upon shell formation with noble metals like gold or silver are described. The NicoreAgshell, CocoreAgshell, and CocoreAushell nanoparticles were prepared by a simple transmetallation reaction between the Co and Ni nanoparticles and the Ag+ or AuCl-4 ions. It is revealed that the FMR line width decreases upon Ag shell formation whereas it increases upon core{\textendash}shell composite formation with Au. Several probable explanations such as the differences in size distributions before and after the reaction or the changes occurring in shape anisotropy of the particles due to the shell formation or the different extents of electronic interaction between the core and shell materials have been offered for this observation.
}, keywords = {Fmr Study; Line Width Comparison; Magnetic Core-Noble Metal Shell Nanoparticles}, doi = {10.1166/jnn.2007.664}, author = {Bala, Tanushree and Enoki, Toshiaki and Bhagavatula L. V. Prasad} } @article { ISI:000249834900020, title = {Field emission investigations of RuO2-doped SnO2 wires}, journal = {Applied Surface Science}, volume = {253}, number = {23}, year = {2007}, month = {SEP}, pages = {9159-9163}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Field emission studies of a bunch and a single isolated RuO2:SnO2 wire have been performed. A current density of 5.73 x 10(4) A/cm(2) is drawn from the single wire emitter at an applied field of 8.46 x 10(4) V/mu m. Nonlinearity in the Fowler-Nordheim (F-N) plot has been observed and explained on the basis of electron emission from both the conduction and the valence bands of the semiconductor. The current stability recorded at the preset value of 1.5 LA is observed to be good. Overall the high emission current density, good stability and mechanically robust nature of the RuO2:SnO2 wires offer advantages as field emitters for many potential applications. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {doped semiconductor, field emission, field enhancement factor, RuO2, SnO2}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2007.05.058}, author = {Bhise, Ashok B. and Late, Dattatray J. and Ramgir, Niranjan S. and More, Mahendra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Joag, Dilip S.} } @article { ISI:000245291700016, title = {Finite size effects on the electrical properties of sol-gel synthesized CoFe2O4 powders: deviation from Maxwell-Wagner theory and evidence of surface polarization effects}, journal = {Journal of Physics D-Applied Physics}, volume = {40}, number = {6}, year = {2007}, month = {MAR}, pages = {1593-1602}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Fine particles of cobalt ferrite were synthesized by the sol-gel method. Subsequent heat treatment at different temperatures yielded cobalt ferrites having different grain sizes. X-ray diffraction studies were carried out to elucidate the structure of all the samples. Dielectric permittivity and ac conductivity of all the samples were evaluated as a function of frequency, temperature and grain size. The variation of permittivity and ac conductivity with frequency reveals that the dispersion is due to Maxwell-Wagner type interfacial polarization in general, with a noted variation from the expected behaviour for the cold synthesized samples. High permittivity and conductivity for small grains were explained on the basis of the correlated barrier-hopping model.
}, issn = {0022-3727}, doi = {10.1088/0022-3727/40/6/001}, author = {George, Mathew and Nair, Swapna S. and Malini, K. A. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000243704000028, title = {First enantiospecific synthesis of (-)-heritol: absolute configuration determination}, journal = {Tetrahedron Letters}, volume = {48}, number = {4}, year = {2007}, month = {JAN}, pages = {643-646}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The first enantiospecific synthesis of (-)-heritol, from naturally occurring (R)-(+)-citronellal and confirmation of its absolute configuration, is described. (c) 2006 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.123}, author = {Chavan, Subhash P. and Thakkar, Mahesh and Kalkote, Uttam R.} } @article { ISI:000250755100004, title = {Fluorescence quenching and time-resolved fluorescence studies of alpha-Mannosidase from Aspergillus fischeri (NCIM 508)}, journal = {Journal of Fluorescence}, volume = {17}, number = {6}, year = {2007}, month = {NOV}, pages = {599-605}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Apart from the vital role in glycoprotein biosynthesis and degradation, alpha-mannosidase is currently an important therapeutic target for the development of anticancer agents. Fluorescence quenching and time-resolved fluorescence of alpha-mannosidase, a multitryptophan protein from Aspergillus fischeri were carried out to investigate the tryptophan environment. The tryptophans were found to be differentially exposed to the solvent and were not fully accessible to the neutral quencher indicating heterogeneity in the environment. Quenching of the fluorescence by acrylamide was collisional. Surface tryptophans were found to have predominantly positively charged amino acids around them and differentially accessible to the ionic quenchers. Denaturation led to more exposure of tryptophans to the solvent and consequently in the significant increase in quenching with all the quenchers. The native enzyme showed two different lifetimes, tau (1) (1.51 ns) and tau (2) (5.99 ns). The average lifetime of the native protein (tau) (3.187 ns) was not affected much after denaturation (tau) (3.219 ns), while average lifetime of the quenched protein samples was drastically reduced (1.995 ns for acrylamide and 1.537 ns for iodide). This is an attempt towards the conformational studies of alpha-mannosidase.
}, keywords = {alpha-Mannosidase, Denaturation, fluorescence, lifetime, Solute quenching}, issn = {1053-0509}, doi = {10.1007/s10895-007-0227-8}, author = {Shashidhara, K. S. and Gaikwad, Sushama M.} } @article {sanjayan, title = {Formal synthesis of herbarumin III}, journal = {Tetrahedron-Asymmetry}, volume = {18}, number = {14}, year = {2007}, month = {JUL}, pages = {1688-1692}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An enantioselective synthesis of herbarumin III is described employing Jacobsen{\textquoteright}s hydrolytic kinetic resolution and Sharpless asymmetric dihydroxylation as the key steps. (c) 2007 Published by Elsevier Ltd.
}, keywords = {carboxymethyl-cellulase, F. moniliforme, pectate lyase, plant pathogenesis, polygalacturonase, Xylanase}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2007.07.022}, author = {Gupta, Priti and Kumar, Pradeep} } @article { ISI:000243831600013, title = {Formation from direct oxidation of H-2 and destruction by decomposition/hydrogenation of H2O2 over Pd/C catalyst in aqueous medium containing different acids and halide anions}, journal = {Applied Catalysis A-General}, volume = {317}, number = {2}, year = {2007}, month = {FEB}, pages = {234-243}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Direct oxidation of H-2 by O-2 to H2O2 and decomposition/hydrogenation of H2O2 (at 27 degrees C and atmospheric pressure) over Pd/C catalyst in an aqueous acidic reaction medium have been thoroughly investigated using different mineral acids (viz. 0.1 N H2SO4, H3PO4, H3BO3, HNO3, HCl, HBr or HI) and/or halide anions (viz. F-, Cl-, Br- or I-), covering their wide concentration range (0-24 mmol/dm(3)), in the reaction medium. In the absence of any externally added halide, appreciable H2O2 formation in the H2 oxidation occurred only when the medium contained HCl. However, the rates of H2O2 decomposition and hydrogenation are greatly reduced because of the presence of any acid; the influence on the H2O2 decomposition was, however, much larger for the halo acids. In the presence of acid (0.1 N H3PO4 or H2SO4), the H-2-to-H2O2 formation reaction is greatly enhanced by the externally added halide anions up to their optimum concentrations. However, above the optimum halide anion concentration, it is inhibited more than the H-2-to-water formation (parallel) reaction, causing a decrease in both the H2O2 yield and selectivity. Whereas, the H-2 conversion and H2O2 destruction activities of the catalyst are decreased continuously with increasing the halide anion (except F-) concentration. Among the halides, chloride is the best halide promoter for Pd/C catalyst in the H-2-to-H2O2 oxidation. At the optimum Cl-concentration (5.4 mmol/dm(3)), both the H-2 conversion and H2O2 yield are passed through a maximum and the H2O2 decomposition is greatly inhibited with increasing the phosphoric acid concentration. In the absence of either the chloride anions or the acid (or both) in the reaction medium, only a little or no H2O2 is formed in the H-2 oxidation and also the rate of H2O2 destruction is very fast, particularly in the presence of H-2; the rapid destruction of H2O2 is mainly due to its decomposition rather than its hydrogenation. The best H-2-to-H2O2 oxidation results are obtained at the optimum concentrations of both the acid and halide anions. In the presence of acid and chloride (or bromide) promoter, the H2O2 hydrogenation dominates the H2O2 destruction and hence the net H2O2 formation is mainly controlled by the H2O2 hydrogenation. (c) 2006 Published by Elsevier B.V.
}, keywords = {H2O2 decomposition, H2O2 hydrogenation, halide anion promoters, Hydrogen peroxide, oxidation of H-2-to-H2O2, Pd/C catalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.10.022}, author = {Choudhary, Vasant R. and Samanta, Chanchal and Jana, Prabhas} } @article { ISI:000250735600035, title = {Fungus-based synthesis of chemically difficult-to-synthesize multifunctional nanoparticles of CuAlO2}, journal = {Advanced Materials}, volume = {19}, number = {20}, year = {2007}, month = {NOV}, pages = {3295+}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Fungal nanosynthesis of ternary CuAlO2 phase is achieved at 50 degrees C. This phase is chemically difficult to synthesize at low temperatures because of the incompatible oxidation chemistry of Cu and Al. The synthesized protein-capped water-dispersible nanoparticles show blue luminescence and radio-frequency absorption (see figure).
}, issn = {0935-9648}, doi = {10.1002/adma.200602605}, author = {Ahmad, Absar and Jagadale, Tushar C. and Dhas, Vivek V. and Khan, Shadab and Patil, Shankar and Pasricha, Renu and Ravi, Venkat and Ogale, Satishchandra B.} } @article { ISI:000251200200005, title = {GaClx- or GaAlClx-grafted Si-MCM-41: highly active and moisture insensitive/stable catalyst for the acylation and benzylation of benzene, naphthalene and substituted benzenes}, journal = {Applied Catalysis A-General}, volume = {333}, number = {1}, year = {2007}, month = {DEC}, pages = {42-48}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
GaClx- and GaAlClx-grafted Si-MCM-41 catalysts were prepared by reacting anhydrous GaCl3 and mixed anhydrous GaCl3 and AlCl3, respectively, with the terminal hydroxyl groups of Si-MCM-41 (pore size: 2.5 nm) in a dry non-aqueous reaction medium (CCl4) under reflux. The catalysts showed high activity for both the acylation and benzylation (with benzoyl chloride and benzyl chloride, respectively) of benzene, toluene, p-xylene, cumene, mesitylene, anisole and naphthalene. Both the catalysts are moisture insensitive or less moisture sensitive; the presence of moisture has a beneficial effect in the acylation over both the catalysts. The catalytically active sites of the GaClx-grafted Si-MCM-41 are (-O-)(2)GaCl (i.e. partially chlorided Ga anchored to Si through -O- linkage) species and the equivalent sites of the GaAlClx-grafted Si-MCM-41 are (-O-)(2)Ga(or Al)Cl and (-O-)(3)Ga(or Al) species. The high acylation/benzylation activities of both the catalysts even in the presence of moisture are attributed to their redox properties (Ga3+ -\> Ga1+) rather than to their Lewis acid properties. After the grafting/chemical bonding, the grafted gallium chloride catalyst showed much higher acylation activity but lower benzylation activity than the physically deposited (on Si-MCM-41) or unsupported GaCl3. The GaAlClx-grafted Si-MCM-41 showed higher acylation activity than the GaClx-grafted Si-MCM-41, due to a synergetic effect of the Ga and Al species. However, the relative benzylation activity of the two catalysts showed strong dependence upon the presence or absence of electron donating group(s) and also upon the electron donating ability of the group(s) attached to the aromatic nucleus. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {acylation benzylation, GaAlClx-grafted Si-MCM-41, GaClx-grafted Si-MCM-41, moisture insensitive}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.09.001}, author = {Choudhary, Vasant R. and Jha, Rani} } @article { ISI:000250356300015, title = {Gas permeation in amine functionalized silicon rubber membranes}, journal = {Separation and Purification Technology}, volume = {57}, number = {2}, year = {2007}, month = {OCT}, pages = {304-313}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Silicon rubber (SR) based thin film composite (TFC) membranes find increasing applicability in various industrial separations owing to its excellent thermal and chemical stability. The functionalization of SR would provide enhanced separation characteristics for certain separation applications. The present research focuses on gas permeation properties of dense and thin film composite membranes based on amine substituted silicon rubber (ASR) and unsubstituted silicon rubber (SR). The dense membrane sorption analysis indicated that presence of amine functionality in ASR increased pressure dependant CO2 sorption capacity. Owing to this, an elevation Of CO2 permeability by 15\% and CO2 based selectivities by 22-34\% in comparison to that of unsubstituted SR was observed. The TFC membranes with SR and ASR as the selective layer on the top of different ultrafiltration (UF) supports with varying properties based on polyacrylonitrile and polysulfone were prepared. The effects of crucial parameters that affected TFC membrane performance, viz., coating solution concentration, UF support membrane porosity and nature of materials were investigated. The preparation of ASR based TFC membranes was demonstrated with a simple crosslinking agent-glutaraldehyde while analyzing effects of crosslinking time on their permeation properties. Polyacrylonitrile (PAN) was found to be better support layer material for ASR based TFC formation than polysulfone (PSF). Thin defect free coating layer can be obtained by appropriate combination of coating solution concentration and support UF membrane porosity. The analysis of effective skin layer thickness of TFC membranes indicated that careful optimization of these parameters is necessary to achieve defect free TFC membranes possessing a good combination of permeance and selectivity. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Carbon dioxide, Gas permeation, silicon rubber, thin film composite membrane}, issn = {1383-5866}, doi = {10.1016/j.seppur.2007.05.002}, author = {Achalpurkar, Manoj P. and Kharul, Ulhas K. and Lohokare, Harshada R. and Karadkar, Prasad B.} } @article { ISI:000250122000026, title = {Gas sorption and transport in polyarylates: effect of substituent symmetry and polarity}, journal = {Journal of Membrane Science}, volume = {303}, number = {1-2}, year = {2007}, month = {OCT}, pages = {244-251}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The gas sorption properties of polyarylates based on bisphenol-A possessing symmetric/asymmetric substitution by nonpolar -CH3 group and symmetrically linked terephthalic acid were examined. The effects of substitution of polar bromine on terephalic acid moiety of polyarylate based on asymmetrically substituted bisphenol were also studied for physical, sorption and transport properties. The estimation of dual mode sorption parameters, solubility and diffusion coefficient revealed that nature of the substituent and substitution type plays a crucial role in depicting permeation properties. An asymmetric substitution by -CH3 group increased solubility coefficient of pure gases (N-2, O-2, CH4 and CO2) up to 27\% and symmetric substitution increased the same up to 106\%. This was coupled with 7-35\% increase in solubility selectivity in both cases of substitution, which ascertained the usefulness of methyl group substitution in polyarylates based on terephalic acid. The pressure dependency of solubility coefficients and solubility selectivity was also investigated for these polyarylates. The sorption and transport properties of these polyarylates correlated well with physical properties of polyarylates and gases studied. The sorption/desorption kinetics of symmetrically substituted TMBisA-T was performed in order to deduce time dependent sorption behavior and to evaluate diffusivity coefficient. The apparent diffusion coefficients from sorption kinetics, desorption kinetics and from steady-states permeation-sorption were compared. The diffusion coefficients of CH4 and N-2 deduced by these methods correlated well with each other. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Diffusion, kinetics, permeation, polyarylates, Sorption}, issn = {0376-7388}, doi = {10.1016/j.memsci.2007.07.018}, author = {Karadkar, Prasad B. and Kharul, Ulhas K. and Bhole, Yogesh S. and Badhe, Yogesh P. and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @article { ISI:000243707700006, title = {General and efficient route to 3 {\textquoteleft}-deoxy-3 {\textquoteleft}-N-, S-, and C-substituted altropyranosyl thymines from 2{\textquoteright},3{\textquoteright}-O-anhydro-mannopyranosylthymine}, journal = {Tetrahedron}, volume = {63}, number = {3}, year = {2007}, month = {JAN}, pages = {602-608}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient route to 1-(2,3-O-anhydro-4,6-O-phenylmethylene{\textendash}D-mannopyranosyl) thymine from 1,2,4,6-tetra-O-acetyl-3-O-tosyl-beta-D-glucopyranose has been devised. This newly synthesized epoxide is opened up regioselectively at the C-3{\textquoteright}-position by N-, S-, and C-nucleophiles to afford a wide range of new 3-deoxy-3{\textquoteright}-substituted altropyranosyl thymines. (c) 2006 Published by Elsevier Ltd.
}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.11.025}, author = {Deshpande, Sachin G. and Pathak, Tanmaya} } @article { ISI:000246754200022, title = {Generation of hydrogen peroxide via the selective reduction of oxygen by hydrazine sulfate over Br-promoted Pd/Al2O3 catalyst in an aqueous medium at ambient conditions}, journal = {Applied Catalysis A-General}, volume = {323}, year = {2007}, month = {APR}, pages = {202-209}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The in situ generation of H2O2 via the selective reduction of OZ by hydrazine sulfate (in an aqueous medium) has been thoroughly investigated over the Br-promoted Pd(or PdO)/Al2O3 catalyst. The influence of the following factors have been addressed in this study: (a) Br concentration (in the reaction medium or incorporated in the catalyst); (b) reaction conditions (viz. reaction time, temperature); (c) concentrations of reducing agent and phosphoric acid in the reaction medium. Decomposition of N2H4 (from NH4-H2SO4) and its reaction with H2O2 under similar reaction conditions (in the absence of O-2) have also been studied. H2O2, which is an intermediate product of the O-2 reduction, is involved in further consecutive reactions. It can be converted to water via its decomposition and/or reaction with the unconverted NZH(4). In the presence of Br promoter, the later (reaction with unconverted N2H4) is more dominant. Both the consecutive reactions are drastically retarded in the presence of protons and Br promoter. A plausible reaction mechanism has been proposed for illustrating the role of the protons and Br promoter in the selective formation of H2O2 in the O-2 reduction process. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {brominated Pd/Al2O3 catalyst, hydrazine sulfate, Hydrogen peroxide, in situ H2O2 generation, oxygen reduction, Pd/Al2O3 catalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.02.014}, author = {Choudhary, Vasant R. and Jana, Prabhas and Samanta, Chanchal} } @article { ISI:000250820000027, title = {Genetic diversity analysis of mango cultivars using inter simple sequence repeat markers}, journal = {Current Science}, volume = {93}, number = {8}, year = {2007}, month = {OCT}, pages = {1135-1141}, publisher = {CURRENT SCIENCE ASSOC}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {
With 33 polymorphic Inter Simple Sequence Repeat (ISSR) markers, genetic diversity among 70 mango cultivars and a distant outgroup was analysed. Clustering was done using Dice and Jaccard coefficients with bootstrapping. Multivariate analysis was conducted using the Euclidean distances. Among the total 420 bands, 408 were polymorphic. Probability that any ISSR fragment is shared by two different cultivars was calculated to be 2.54 x 10(-1). Non-Indian mango cultivars were found genetically diverged from Indian mango germ pool. No separation was observed between North Indian and South Indian cultivars. Twelve different cultivar-specific bands were detected for six cultivars, which approved the effectiveness of ISSR markers in mango genetic diversity analysis.
}, keywords = {DNA finger printing, inter simple sequence repeat, Mangifera indica, principle coordinate analysis}, issn = {0011-3891}, author = {Pandit, Sagar S. and Mitra, Sirsha Sribas and Giri, Ashok P. and Pujari, Keshav H. and Patil, Bhimarao P. and Jambhale, Narayan D. and Gupta, Vidya S.} } @article { ISI:000246157400015, title = {Geometrical solution to the sharkskin instability}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {10}, year = {2007}, month = {MAY}, pages = {3048-3056}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We study the effect of die exit divergence on the sharkskin behavior, both experimentally as well as through the use of computational fluid dynamics (CFD) simulations. Sharkskin or surface fracture is known to occur immediately after the die exit, because of the large elongational deformation that a polymer melt experiences as it exits the die. We show that the diverging taper at the die exit postpones or completely removes the occurrence of sharkskin. The corresponding CFD simulations of an equivalent K-BKZ fluid show that the taper at the die exit significantly reduces the severity of the elongational flow, thereby reducing the normal stresses as the polymer melt leaves the die. We believe that, in an extrusion operation, the provision of a diverging taper at the die exit is one of the potential measures by which sharkskin instability can be eliminated on an industrial scale.
}, issn = {0888-5885}, doi = {10.1021/ie0610391}, author = {Pol, Harshawardhan V. and Joshi, Yogesh M. and Tapadia, Prashant S. and Lele, Ashish K. and Mashelkar, Raghunath Anant} } @article { ISI:000243366400007, title = {Glycine-assisted enhancement of 1,4-beta-D-xylan xylanohydrolase activity at alkaline pH with a pH optimum shift}, journal = {Biological Chemistry}, volume = {388}, number = {1}, year = {2007}, month = {JAN}, pages = {61-65}, publisher = {WALTER DE GRUYTER GMBH}, type = {Article}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {
This is the first report describing the enhancement of xylanase activity by the neutral amino acid glycine. Xylanase activity is increased seven-fold at alkaline pH in the presence of glycine and its pH optimum is shifted from pH 7 to 8 without using any protein engineering techniques. Analysis of the steady-state kinetics revealed that glycine in the reaction mixture increases the K-m and k(cat) values of the enzyme. Chemoaffinity labeling and studies using glycine esters indicate an involvement of the carboxylate ion of glycine in enhancing xylanase catalytic activity. A novel possible mechanism for the glycine-assisted catalytic action of xylanase is proposed.
}, keywords = {Enzyme catalysis, OPTA, Thermomonospora sp., Xylanase}, issn = {1431-6730}, doi = {10.1515/BC.2007.007}, author = {Vathipadiekal, Vinod and Verma, Anamika and Rao, Mala} } @article { ISI:000245142200047, title = {Grafting reactions of living macroanions with multi-walled carbon nanotubes}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {7}, number = {4-5}, year = {2007}, month = {APR}, pages = {1560-1567}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Grafting reactions of living polystyryllithium (PSLi) with acid chloride containing multi-walled carbon nanotubes (MWNTs-COCl) were performed under vacuum in benzene at room temperature. Covalent grafting of polystyrene (PS) was characterized using spectroscopic, microscopic, and thermogravimetric analyses. Grafting at different ratios of macroanion to acylchloride of the carbon nanotubes showed that the grafting efficiency was not dependent on the concentration of the macroanions. The mole percent of PS present in the MWNTs-g-PS samples was inversely proportional to the precursor molecular weight of PSLi. Direct reactions of PSLi, polybutadienyllithium and n-butyllithium with pristine MWNTs without any functional groups were also performed in the presence and in the absence of tetrahydrofuran in benzene. The grafting reactions of living macroanions either with MWNTs-COCl or with pristine MWNTs indicated a partial grafting of polymer on the carbon nanotubes in benzene at room temperature.
}, keywords = {Anionic polymerization, covalent functionalization, grafting, multi-walled carbon nanotubes}, issn = {1533-4880}, doi = {10.1166/jnn.2007.459}, author = {Baskaran, Durairaj and Sakellariou, Georgios and Mays, Jimmy W. and Bratcher, Matthew S.} } @conference { ISI:000252140200050, title = {Granular support vector machine based method for prediction of solubility of proteins on overexpression in Escherichia coli}, booktitle = {Pattern Recognition and Machine Intelligence, Proceedings}, series = {LECTURE NOTES IN COMPUTER SCIENCE}, volume = {4815}, year = {2007}, note = {2nd International Conference on Pattern Recognition and Machine Intelligence, Calcutta, INDIA, DEC 18-22, 2007}, month = {DEC}, pages = {406-415}, publisher = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, organization = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, address = {Heidelberger Platz 3, D-14197 Berlin, Germany}, abstract = {
We employed a granular support vector Machines(GSVM) for prediction of soluble proteins on over expression in Escherichia coli. Granular computing splits the feature space into a set of subspaces (or information granules) such as classes, subsets, clusters and intervals [14]. By the principle of divide and conquer it decomposes a. bigger complex problem into smaller and computationally simpler problems. Each of the granules is then solved independently and all the results are aggregated to form the final solution. For the purpose of granulation association rules was employed. The results indicate that a difficult imbalanced classification problem can be successfully solved by employing GSVM.
}, isbn = {978-3-540-77045-9}, issn = {0302-9743}, author = {Kumar, Pankaj and Jayaraman, Valadi K. and Kulkarni, B. D.}, editor = {Ghosh, A. and De, R. K. and Pal, S. K.} } @article {42752, title = {Group 11 metal complexes of mesocyclic thioether-aminophosphonites, (-OC10H6)}, journal = {European Journal of Inorganic Chemistry}, year = {2007}, month = {FEB}, pages = {720{\textendash}731}, type = {Article}, abstract = {
Group 11 metal complexes of the mesocyclic thioether aminophosphonites [-OC10H6(μ-S)C10H6O-]PNC4H8E {2a: E = O; 2b: E = NMe; IUPAC names: 4-(dinaphtho[2,1-d:1',2'-g][1,3,6,2]dioxathiaphosphocin-4-yl)morpholine (2a), 1-(dinaphtho[2,1-d:1',2'-g][1,3,6,2]dioxathiaphosphocin-4-yl)-4-methylpiperazine (2b)} are reported. Thioether aminophosphonites 2a and 2b react with CuX (X = Cl, Br, and I) in a 1:1 molar ratio to give the tricoordinate, dimeric complexes [{[{-OC10H6(μ-S)C10H6O-}PNC4H8E-κP]Cu(μ-X)}2] (4a: E = O, X = Cl; 4b: E = NMe, X = Cl; 5a: E = O, X = Br; 5b: E = NMe, X = Br; 6a: E = O, X = I; 6b: E = NMe, X = I), whereas with 2:1 molar ratios monomeric complexes of the type[{[-OC10H6(μ-S)C10H6O-]PNC4H8O-κP}2CuX] (7a: E = O, X = Cl; 7b: E = NMe, X = Cl; 8a: E = O, X = Br; 8b: E = NMe, X = Br; 9a: E = O, X = I; 9b: E = NMe, X = I) are obtained in excellent yield. The P,S-chelated cationic complexes[{[-OC10H6(μ-S)C10H6O-]PNC4H8E-κP,κS}2Cu]BF4 (10a: E = O; 10b: E = NMe) are obtained when 2a and 2b are treated with half an equivalent of [(MeCN)4Cu]BF4. Similarly, thesilver complexes [{[{-OC10H6(μ-S)C10H6O-}PNC4H8E-κP,κS]AgCF3SO3}2] (11a: E = O: 11b: E = NMe) and [{[-OC10H6(μ-S)C10H6O-]PNC4H8E-κP,κS}Ag(PPh3)]CF3SO3 (12a: E = O; 12b: E = NMe) are synthesized by the treatment of thioether aminophosphonites 2a and 2b with AgOTf and [Ag(PPh3)][OTf], respectively. Reactions of 2a and 2b with [AuCl(SMe2)] produce the simple monomeric gold(I) complexes [{[-OC10H6(μ-S)C10H6O-]PNC4H8E-κP}AuCl] (13a: E = O; 13b: E = NMe). The iodo derivatives [{[-OC10H6(μ-S)C10H6O-]PNC4H8E-κP}AuI] (14a: E = O; 14b: E = NMe) are obtained by the halide-exchange reaction of 13a and 13b with CuI at room temperature. The structures of complexes 5a, 7a, 8a, 13a, 13b, and 14a are confirmed by single-crystal X-ray diffraction studies. In all of these complexes, the sulfur atom in the mesocyclic ring shows coordinative interaction towards the phosphorus atom, and in 5a, 7a, 8a, and 14a towards the metal center as well. ({\textcopyright} Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheim, Germany, 2007)
}, doi = {10.1002/ejic.200600913}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article { ISI:000246320900026, title = {Hexamethyldisilazane-iodine induced intramolecular dehydrative cyclization of diamides: a general access to natural and unnatural quinazolinones}, journal = {Tetrahedron Letters}, volume = {48}, number = {18}, year = {2007}, month = {APR}, pages = {3243-3246}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple and efficient general approach to various quinazolinone scaffolds, including peptidomimetic examples, has been demonstrated by employing HMDS/I-2 for the intramolecular dehydrative cyclization of diamides. The protecting groups -Boc, -Fmoc and -Cbz tolerated the present reaction conditions and we did not observe any racemization. The present protocol has also been used as a key step for the efficient four-step syntheses of the naturally occurring quinazolinones, sclerotigenin, (-)-circumdatin-F and (-)-fumiquinazoline-F. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {diamides, HMDS/I-2, intramolecular dehydrative cyclizations, natural and unnatural quinazolinones, synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.03.032}, author = {Kshirsagar, Umesh A. and Mhaske, Santosh B. and N. P. Argade} } @article {42755, title = {Highly air-stable anionic mononuclear and neutral binuclear palladium(ii) complexes for C-C and C-N bond-forming reactions}, journal = {Inorganic Chemistry}, volume = {46}, year = {2007}, month = {NOV}, pages = {11316{\textendash}11327}, type = {Article}, abstract = {
The short-bite aminobis(phosphonite), PhN{P(-OC10H6(μ-S)C10H6O-)}2 (2), containing a mesocyclic thioether backbone is synthesized by either treating PhN(PCl2)2 with 2 equiv of thiobis(2,2{\textquoteleft}-naphthol) or reacting chlorophosphite (-OC10H6(μ-S)C10H6O-)PCl (1) with aniline in the presence of a base. Treatment of 2 with an equimolar amount of Pd(COD)Cl2 in the presence of H2O affords a P-N-P-bridged and P,S-metalated binuclear complex, [PhN(P(-OC10H6(μ-S)C10H6O-)-κP)2Pd2Cl2{P(-OC10H6(μ-S)C10H6O-)(O)-κP,κS}2] (3), whereas the same reaction with 2 equiv of Pd(COD)Cl2 in the presence of H2O and Et3N produces the mononuclear anionic complex [{(-OC10H6(μ-S)C10H6O-)P(O)-κP,κS}PdCl2](Et3NH) (5). By contrast, reaction of 2 with 2 equiv of Pd(COD)Cl2 and H2O in the absence of Et3N gives the hydrogen phosphonate coordinated complex [{(-OC10H6(μ-S)C10H6O-)P(OH)}PdCl2] (4) which converts to the anionic complex in solution or in the presence of a base. Compound 2 on treatment with Pt(COD)X2 (X = Cl or I) afforded P-coordinated four-membered chelate complexes [PhN(P(-OC10H6(μ-S)C10H6O-)-κP)2PtX2] (6 X = Cl, 7 X = I). The crystal structures of compounds 2, 3, 5, and 7 are reported. Compound 3 is the first example of a crystallographically characterized binuclear palladium complex containing a bidentate bridging ligand and its hydrolyzed fragments forming metallacycles containing a palladium-phosphorus σ bond. All palladium complexes proved to be very good catalysts for the Suzuki-Miyaura and Mizoroki-Heck cross-coupling and amination reactions with excellent turnover numbers (TON up to 1.46 {\texttimes} 105 in the case of the Suzuki-Miyaura reaction).
}, doi = {10.1021/ic701674x}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article { ISI:000249567000022, title = {Highly photostable dye entrapped core-shell particles}, journal = {Materials Letters}, volume = {61}, number = {25}, year = {2007}, month = {OCT}, pages = {4738-4742}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Organic dye namely Coumarin 7 has been entrapped in silica particles using a single silica precursor viz. tetraethylorthosilicate. Both bare Coumarin 7 dye and dye incorporated core-shell particles were studied. Investigations of these core-shell composites were carried out using different characterization techniques such as energy dispersive X-ray analysis, X-ray photoelectron spectroscopy and transmission electron microscopy. It has been shown that the photostability of dye molecules is improved along with an increase in photoluminescence. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {core-shell, coumarin 7 dye, Luminescence, photostability, tetraethylorthosilicate}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.03.030}, author = {Ethiraj, Anita S. and Kharrazi, Sharmin and Hebalkar, Neha and Urban, J. and Sainkar, S. R. and Kulkarni, S. K.} } @article { ISI:000243650800011, title = {High-temperature, polymer-graphite hybrid composites for bipolar plates: effect of processing conditions on electrical properties}, journal = {Journal of Power Sources}, volume = {163}, number = {2}, year = {2007}, month = {JAN}, pages = {702-707}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
High-temperature thermoplastic-graphite composites are prepared using polyphenylene sulfide (PPS) and polyether sulfone (PES) containing natural graphite powder. All samples are prepared by high pressure compaction and heating to high temperatures. The effect of a third additional conducting component on the electrical resistance of these composites is studied. A low resistance of the order of 0.1 Omega can be obtained even for a graphite concentration of 50\% by addition of the third component. The effect of a mixing/blending technique on the anisotropy of conductivity is investigated. Solution blending of PES with graphite leads to lower anisotropy values than powder mixing and compression moulding. The samples when exposed continuously to a working temperature of 100 degrees C give a small but significant reduction in electrical resistance. X-ray diffraction studies on composites prepared by different techniques indicate that there is restructuring and crystallite re-orientation of the graphite phase in the samples. A large reduction in the crystallite size is observed for samples prepared by solution blending while re-orientation occurs after heat treatment. The changes in electrical properties can be correlated with these structural transformations in the composites. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {bipolar plates, conducting polymer, fuel cell, graphite composites, hybrid materials, polyether sulfone, polypherylene sulfide}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2006.08.019}, author = {Radhakrishnan, S. and Ramanujam, B. T. S. and Adhikari, Arindam and Sivaram, S.} } @article { ISI:000249501700020, title = {Homogeneous nucleation temperatures in aqueous mixed salt solutions}, journal = {Journal of Physical Chemistry B}, volume = {111}, number = {37}, year = {2007}, month = {SEP}, pages = {10985-10991}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
This is the first report on the measurement of homogeneous nucleation temperature, T-H, in the presence of aqueous mixed salt systems of varying compositions and ionic strengths. The T-H,T-m (T-H value in aqueous mixed salt system) data for these systems have been analyzed in terms of a simple empirical equation. The T-H.m. values in simple aqueous mixed salts like NaCl-KCl can be approximated by linear summation of the products of ionic strength fraction and the T-H values of pure salt solutions at the same ionic strength as that of the mixture. The empirical parameter, q(0), indicating ionic interaction is related to the viscosity B-coefficients. The T-H.m data, though correlated on the basis of the B-coefficients also depends upon the mixing of two ions of like charges. Further, a linear correlation exists between the q(0) parameter and self-diffusion coefficient, D-0, of the ionic solute. The q(0) parameter is also well correlated with the rotational correlation time, T-c(h)/T-c(0) of the ionic species involved in the mixtures. It is possible to compute T-H,T-m for the salt mixtures with no common ions from the knowledge of the T-H,T-m values of the salt mixtures with common ions.
}, issn = {1520-6106}, doi = {10.1021/jp073846z}, author = {Kumar, Anil} } @article { ISI:000251763600057, title = {Hydrodynamics and liquid phase residence time distribution in mesh microreactor}, journal = {Chemical Engineering Science}, volume = {62}, number = {24, SI}, year = {2007}, note = {8th International Conference on Gas-Liquid and Gas-Liquid-Solid Reactor Engineering, Indian Inst Technol Delhi, New Delhi, INDIA, DEC 16-19, 2007}, month = {DEC}, pages = {7484-7493}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
This paper is focused on the experimental analysis of residence time distribution and phase hold-up in a mesh microreactor. A microreactor, where a finely weaved mesh is sandwiched between two flat plates with specific inlets for gas and liquid, is proposed. The microvolumes formed upon sandwiching the mesh are totally connected and thus it yields a view of several interconnected microvolumes. This system is easy to build and does not need precision micromachining. A high-speed photographic analysis yielded the phase distribution for different mesh types over a wide range of operating gas and liquid flow rates. The RTD was studied by measuring the liquid phase conductivity at the outlet of the reactor. Channeling prevailed for mesh with smaller open area. The ADEM was used for fitting the tracer curves with tailing ends. The RTD and the image analysis for all the mesh types showed hysteresis when the gas flow rate was maintained constant and the liquid flow rate was gradually increased and then decreased. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {hydrodynamics, hysteresis, image analysis, microreactor, residence time distribution}, issn = {0009-2509}, doi = {10.1016/j.ces.2007.08.063}, author = {Kulkarni, A. A. and Gorasia, A. K. and Ranade, V. V.} } @article { ISI:000251244900016, title = {Hydrodynamics of bubble column reactors at high gas velocity: experiments and computational fluid dynamics (CFD) Simulations}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {25}, year = {2007}, note = {Joint 6th International Symposium on Catalysis in Multiphase Reactors/5th International Symposium on Multifunctional Reactors (CAMURE-6/ISMR-5-), Pune, INDIA, JAN 14-17, 2007}, month = {DEC}, pages = {8431-8447}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
This paper focuses on the modeling of flow and mixing in a bubble column reactor operated at high gas velocities (up to 0.40 m/s). A dual-tip conductivity probe was used to measure local void properties such as local time-averaged gas holdup, chord length distribution, bubble velocity distribution, and interfacial area. Chord length distribution was converted to bubble size distribution, using the backward transformation method. Liquid-phase mixing time measurements were conducted using a conductivity probe. A computational fluid dynamics (CFD) model was developed to simulate the unsteady gas-liquid flow in a bubble column using commercial code FLUENT 6.2. The time-averaged flow properties predicted by CFD simulations were compared with the experimental data. The role of unsteady flow structures in mixing was studied. The {\textquoteleft}{\textquoteright} multiple snapshots {\textquoteleft}{\textquoteright} approach was used to simulate the mixing time using CFD. The mixing times that were predicted for all superficial gas velocities compared favorably to the measured values. This study of the hydrodynamic behavior of a bubble column at higher gas velocity provides a basis for understanding and simulating solid suspension (or solid mixing) in slurry bubble column reactors.
}, issn = {0888-5885}, doi = {10.1021/ie070079h}, author = {Rampure, Mohan R. and Kulkarni, Amol A. and Ranade, Vivek V.} } @article { ISI:000244855500011, title = {Hydrogen bonding in trivinyl monomers: implications for inclusion complexation and polymerization}, journal = {Macromolecules}, volume = {40}, number = {6}, year = {2007}, month = {MAR}, pages = {1824-1830}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Trimethylolpropane trimethacrylate (TMPTMA) formed a 1:2 inclusion complex (IC) with beta-cyclodextrin (beta-CD). Polymerization of the complex resulted in a soluble, linear polymer containing two pendant unsaturations per repeat unit since the methacryloyl groups included in the beta-CD cavity did not react with the growing radical chain. Trimethylolpropane triacrylate (TMPTA) formed a 1:1 complex with beta-CD. Yet a soluble polymer containing two pendant unsaturations per repeat unit was obtained. Computational analysis confirmed that in TMPTA hydrogen bonding between C-H center dot center dot center dot O=C brings two acryloyl groups in close vicinity of one another. As a result, both acryloyl groups were included in the same beta-CD cavity. Trimethylolpropane diacrylate 4-vinylbenzoate (TMPDAVB) once again formed 1:2 IC as a result of disruption of hydrogen bonds between two acryloyl groups. The study highlights that an understanding of the composition of the IC is more important than its stoichiometry alone.
}, issn = {0024-9297}, doi = {10.1021/ma062397i}, author = {Satav, Sunita S. and Karmalkar, Rohini N. and Kulkarni, Mohan G. and Mulpuri, Nagaraju and Sastry, G. Narahari} } @article { ISI:000246157400035, title = {Hydrogenation of hydrogen peroxide over palladium/carbon in aqueous acidic medium containing different halide anions under static/flowing hydrogen}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {10}, year = {2007}, month = {MAY}, pages = {3237-3242}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Kinetics of the hydrogenation of hydrogen peroxide (at 278 and/or 300 K) over Pd(5 wt\%)/carbon in aqueous medium with or without containing acid or different halide anions (F-, Cl-, Br-, or I-) under static H-2 (i.e. batchwise) or flowing H-2 (i.e. semi-batchwise) at atmospheric pressure have been thoroughly studied. In the absence of protons or halide anions and also in the presence of F- anions, a very rapid decomposition of H2O2 (H2O2 -\> H2O + 0.5O(2)) predominates over the H2O2 hydrogenation (H2O2 + H-2 -\> 2H(2)O). However, in the presence of both the protons and Cl- or Br- anions, the H2O2 conversion occurs mainly by the hydrogenation reaction. The hydrogenation is found to be a zero-order reaction with respect to the H2O2 concentration, and its activation energy and frequency factor are strongly influenced by the halide anions. The hydrogenation is found to be more and more inhibited with increasing halide (Cl- or Br-) anion concentration. The cations associated with the halide anions have, however, only a very little influence on the hydrogenation. Iodide anions act as a very strong catalyst poison for the hydrogenation. In the presence of acid, the hydrogenation is very strongly influenced by the different halides, but, in the presence of halide anions (5.4 mmol/dm(3)), it is very mildly influenced by the different mineral acids (except HI). In the absence of protons, the Cl- and Br- anions are ineffective for inhibiting the rapid H2O2 decomposition. A role played by protons and halide anions for drastically inhibiting the rapid H2O2 decomposition is discussed.
}, issn = {0888-5885}, doi = {10.1021/ie0608408}, author = {Choudhary, Vasant R. and Samanta, Chanchal and Jana, Prabhas} } @article { ISI:000254475400003, title = {Immobilization of invertase on functionalized mesoporous silica and properties of the immobilized biocatalyst}, journal = {Research Journal of Biotechnology}, volume = {2}, number = {1}, year = {2007}, month = {FEB}, pages = {12-17}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, type = {Article}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {
Invertase, which catalyses the hydrolysis of sucrose, is one of the simplest commercial carbohydrases and is used for the production of invert syrup (mixture of glucose and fructose). Fructose is the sweetest natural sugar having beneficial medicinal effects and is emerging as an alternative sweetener to sucrose in the pharmaceutical industry. beta fructofuranosidase (E C 3.2.1.26) purified from Kluyveromyces marxianus NCYC 2675, a thermotolerant yeast, was immobilized on functionalized mesoporous silica SBA- 15. Attempts were made to immobilize invertase on functionalized silicalite and cross linked with glutaraldehyde so as to obtain a highly active and stable immobilized enzyme preparation suitable for commercial exploitation. Cross linked enzyme silica complex as well as enzyme silica complex showed very good temperature and pH stability. Extrudates of the mesoporous silica also showed similar results. Bound enzyme showed excellent stability to repeated use and retained 90\% of its initial activity after ten cycles of reuse in batch mode.
}, keywords = {beta fructofuranosidase, extrudates, functionalized mesoporous silica, Invert syrup, invertase, SBA-15}, issn = {0973-6263}, author = {Prabhune, Asmita Ashutosh and Sulabha, Karandikar and Archana, Pundle and Shilpa, Deshpande and Sanjeevani, Pardhy} } @article { ISI:000250792200005, title = {Immobilization of mushroom polyphenol oxidase on poly(allyl glycidyl ether-co-ethylene glycol dimethacrylate) macroporous beaded copolymers}, journal = {Reactive \& Functional Polymers}, volume = {67}, number = {10}, year = {2007}, month = {OCT}, pages = {905-915}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Functional, macroporous, beaded copolymers containing epoxy groups were synthesized for immobilization of polyphenol oxidase (PPO) from edible mushroom (Agaricus bisporus). The effect of incorporation of two different sets of monomers such as glycidyl methacrylate (GMA) and allyl glycidyl ether (AGE) and the effect of cross-linking agent ethylene glycol dimethacrylate (EGDM) with varying cross-link densities on binding and expression of mushroom PPO activity were studied. The effect of porogen viz. cyclohexanol and hexanol on PPO immobilization was studied. AGE copolymers with hexanol as a porogen were found to give higher binding and expression of PPO activity than GE polymers. Crosslinking of amino groups of enzyme with 5\% glutaraldehyde for 6 h gave a stable binding of PPO on AGE-75(Hex) polymer with storage half-life of approximately 25 days. Under optimum conditions, AGE-75(Hex) polymer gave 70.3\% of activity yield while percent retention of PPO activity was found to be 83.5\%. Immobilized PPO showed a broader pH, higher temperature and excellent storage stability. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {cross-linking agent, Enzyme immobilization, Epoxy-activated support, mushroom PPO}, issn = {1381-5148}, doi = {10.1016/j.reactfunetpolym.2007.05.015}, author = {Vaidya, Bhalchandra K. and Karale, Abhijeet J. and Suthar, Hitesh K. and Ingavle, Ganesh C. and Pathak, Tara Sankar and Ponrathnam, S. and Nene, Sanjay} } @conference { ISI:000291657600253, title = {Immobilization of Ntn hydrolases on APTES fuctionalized SBA-15}, booktitle = {From Zeolites to Porous Mof Materials: the 40th Anniversary of International Zeolite Conference, Proceedings of the 15th International Zeolite Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1891-1898}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {
APTES Functionalized mesoporous silica SBA-15 molecular sieves have been prepared and used for immobilization of Penicillin G acylase. Physico chemical characterization was done by nitrogen adsorption, powder XRD and TEM methods to understand the nature of immobilized PGA enzyme. XRD data indicate a good mesoscopic order. The characteristic hexagonal features of SBA-15 were maintained in PGA immobilized SBA-15 samples. Incorporation of PGA does not affect the original pore structure of the parent SBA-15. The adsorption of PGA on SBA-15 from buffered solutions with a pH value, 7.8 has been studied as a model protein adsorption system. The maximum activity of the immobilized enzyme was observed at pH 7.8, slightly below the isoelectric point of the enzyme. The loading capacity of immobilized PGA is 34 mg protein per 0.5 g of SBA-15. The stability of Penicillin G acylase was enhanced by the physical entrapment in SBA-15.
}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Shah, Pallavi and Sridevi, N. and Prabhune, Asmita and Ramaswamy, Veda}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000251153900031, title = {Impact of orientational distribution of adsorbing objects on dynamics of Random Sequential Ballistic Adsorption (RSBA) dynamics}, journal = {Surface Science}, volume = {601}, number = {21}, year = {2007}, month = {NOV}, pages = {5010-5015}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Recently, by proposing a new variant of Random Sequential Adsorption (RSA) namely Random Sequential Ballistic Adsorption (RSBA) model [Pradip B. Shelke, A.G. Banpurkar, S.B. Ogale, A.V. Limaye, Surf. Sci. 601 (2007) 274], we addressed the issue of adsorption dynamics of extended objects where the objects, upon adsorption, protrude outside the substrate. This study brought out the role of the arriving trajectory in the adsorption dynamics. In the present work the possible role of the orientational distribution of the arriving objects in the RSBA dynamics is investigated. The dynamics of RSBA of needles (line segments) is studied analytically and by computer simulation for different types of theta distributions of arriving needles, theta being the angle made by the arriving needle with normal to the substrate. Three types of theta distributions, namely a uniform distribution over the range (0, pi/2), a Gaussian distribution and a distribution uniform over the solid angle, are considered. Analytical treatment establishes that in all the three cases, the number n(t) of adsorbed objects at a late time t follows a power law n(t) similar to t(alpha), and the exponent a depends on the specifics of the theta distribution. In general, for distribution f(theta) proportional to theta(beta), for theta -\> 0, alpha is found to be 2/(beta + 3). The simulation results are in excellent agreement with the analytical findings and together they reveal that the orientational distribution of arriving objects has significant consequences for the Random Sequential Ballistic Adsorption (RSBA) process. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Adsorption, adsorption kinetics, Monte Carlo simulations, random sequential adsorption (RSA)}, issn = {0039-6028}, author = {Shelke, Pradip B. and Banpurkar, Arun G. and Ogale, Satishchandra B. and Limaye, A. V.} } @article { ISI:000244902800037, title = {Improve polyethylene process control and product quality - using artificial intelligence-based sensors can improve costs}, journal = {Hydrocarbon Processing }, volume = {86}, number = {3}, year = {2007}, month = {MAR}, pages = {53+}, publisher = {GULF PUBL CO}, type = {Article}, address = {BOX 2608, HOUSTON, TX 77252-2608 USA}, issn = {0018-8190}, author = {Badhe, Yogesh P. and Lonari, J. and Tambe, S. S. and Kulkarni, B. D. and Valecha, N. K. and Deshmukh, S. V. and Ravichandran, S.} } @article { ISI:000250256700004, title = {In situ generation of hydrogen peroxide from reaction of O-2 with hydroxylamine from hydroxylammonium salt in neutral aqueous or non-aqueous medium using reusable Pd/Al2O3 catalyst}, journal = {Catalysis Communications}, volume = {8}, number = {11}, year = {2007}, month = {NOV}, pages = {1578-1582}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In situ generation of H2O2 with high yield can be accomplished by reacting 02 with NH2OH from hydroxylammonium salt [NH2OH.HCl or (NH2OH)(2) . H2SO4] in a neutral aqueous medium using a reusable heterogeneous Pd (1.0 wt\%)/Al2O3 catalyst, even at low temperature (10 degrees C), with the formation of harmless by-products (viz. N-2 and water). The presence of KCl or KBr in the medium has beneficial effect. The H2O2 generation is strongly influenced by the pH of medium, reaction period and temperature; best results are obtained at the optimum pH and reaction medium. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Hydrogen peroxide, hydroxylamine, Hydroxylammonium salt, in situ H2O2 generation, oxygen, Pd/AlO3 catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.01.003}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000244429400011, title = {In vitro clonal propagation of Casuarina equisetifolia forst. from mature tree-derived explants}, journal = {Current Science}, volume = {92}, number = {3}, year = {2007}, month = {FEB}, pages = {287-290}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Seth, Rupali and Kendurkar, Shuchishweta V. and Nadgauda, Rajani} } @article {42763, title = {Influence of ancillary binding and nonspecific adsorption on bioresponsive hydrogel microlenses}, journal = {Biomacromolecules}, volume = {8}, year = {2007}, month = {APR}, pages = {1157-1161}, type = {Article}, doi = {10.1021/bm070005p}, author = {Kim, Jongseong and Singh, Neetu and Lyon, L. Andrew} } @article { ISI:000243388500023, title = {Influence of electric field on the global and local reactivity descriptors: reactivity and stability of weakly bonded complexes}, journal = {Journal of Physical Chemistry A}, volume = {111}, number = {2}, year = {2007}, month = {JAN}, pages = {375-383}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The response of the global and local reactivity density-based descriptors (chemical potential, hardness, softness, Fukui function, and local softness) in the presence of external electric field has been studied for some of the simple prototype molecular systems. In addition to the analysis on the reactivity of these systems, the influence of the electric field on the interaction energy of the complexes formed by these systems has also been studied using the recently proposed semiquantitative model based on the local hard-soft acid-base principle. By using the inverse relationship between the global hardness and softness parameters, a simple relationship is obtained for the variation of hardness in terms of the Fukui function under the external electric field. It is shown that the increase in the hardness values for a particular system in the presence of external field does not necessarily imply that the reactivity of the system would be deactivated or vice versa.
}, issn = {1089-5639}, doi = {10.1021/jp065580m}, author = {Kar, Rahul and Chandrakumar, K. R. S. and Pal, Sourav} } @article { ISI:000250169800037, title = {Influence of film structure on mobilities of charge carriers in conducting polymers}, journal = {Electrochimica Acta}, volume = {52}, number = {28}, year = {2007}, month = {NOV}, pages = {8088-8095}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Two sorts of poly(3-hexylthiophene) (PHT) films with the same chemical compositions were prepared, and their electrochemical, spectroscopic, and transport properties were studied with a special interest in a possible influence of film structure on mobilities of charge carriers. One of the PHT films was electrochemically synthesized using 3-hexylthiophene as a monomer (as-grown film) and the other was obtained by dissolving the as-grown film in chloroform and then casting the polymer solution (cast film). A clear difference was observed in the mobility versus doping level plot between the two sorts of PHT films, demonstrating that the difference is caused only by a distinction in film structure. An initial decreasing feature of the mobility plot observed for the cast films was accounted for in terms of swelling of the films at an early stage of doping. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Doping, electrosynthesis, mobility, poly(3-hexylthiophene), swelling}, issn = {0013-4686}, doi = {10.1016/j.electacta.2007.07.007}, author = {Harima, Yutaka and Jiang, Xiaoqing and Patil, Rahul and Komaguchi, Kenji and Mizota, Haruo} } @article { ISI:000247943800001, title = {Influence of organic modification on mechanical properties of melt processed intercalated poly(methyl methacrylate)-organoclay nanocomposites}, journal = {Journal of Applied Polymer Science}, volume = {105}, number = {5}, year = {2007}, month = {SEP}, pages = {2433-2443}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The influence of organic modifiers on intercalation extent, structure, thermal and mechanical properties of poly(methyl methacrylate) (PMMA)-clay nanocomposites were studied. Two different organic modifiers with varying hydrophobicity (single tallow versus ditallow) were investigated. The nanocomposites were prepared from melt processing method and characterized using wide angle X-ray diffraction, transmission electron microscopy, thermogravimetric analysis, differential scanning calorimetry (DSC), and tensile tests. Mechanical properties such as tensile modulus (E), break stress (sigma(brk)), and 0\% break strain (epsilon(brk)) were determined for nanocomposites at various clay loadings. Extent of PMMA intercalation is sufficient and in the range 9-15 angstrom depending on organoclay and filler loading. Overall thermal stability of nanocomposites increases by 16-30 degrees C. The enhancement in T-g of nanocomposite is merely by 2-4 degrees C. With increase in clay loading, tensile modulus increases linearly while \% break strain decreases. Break stress is found to increase till 4 wt \% and further decreases at higher clay loadings. The overall improvement in thermal and mechanical properties was higher for the organoclay containing organic modifier with lower hydrophobicity and single tallow amine chemical structure. (c) 2007 Wiley Periodicals, Inc.
}, keywords = {mechanical properties, Nanocomposites, organoclay, structure, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.26192}, author = {Tiwari, Rajkiran R. and Natarajan, Upendra} } @article { ISI:000244008300028, title = {Influence of surfactant on ZnO varistors}, journal = {Ceramics International}, volume = {33}, number = {2}, year = {2007}, month = {MAR}, pages = {289-291}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
ZnO varistors with and without surfactant such as sodium dodecyl sulphate (SIDS) are prepared by nitrate-combustion process. The samples were identically heat treated and sintered at 1000 degrees C for 12 h to study the influence of the surfactant on the nonlinear electrical properties of polycrystalline ZnO. It is observed that the nonlinear coefficient decreases marginally (alpha = 35) for samples prepared with surfactant, whereas breakdown field (E-B = 130 V/mm) decreased significantly. The corresponding parameters for the samples synthesized without surfactant are alpha = 45 and E-B = 400 V/mm. Hence, this method can be used for the manufacture of varistors with low to moderate breakdown fields. (c) 2005 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {Chemical synthesis, Semiconductors, X-ray methods, ZnO}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2005.08.010}, author = {Dhage, S. R. and Navale, S. C. and Ravi, V.} } @article {42685, title = {Interaction of different metal ions with carboxylic acid group: a quantitative study}, journal = {Journal of Physical Chemistry A}, volume = {111}, year = {2007}, month = {JUN}, pages = {6183{\textendash}6190}, type = {Article}, abstract = {
The binding strength of the carboxylic acid group (-COOH) with different divalent metal ions displays considerable variation in arachidic acid (AA) thin films. It is considered that in AA thin films the metal ions straddle the hydrophilic regions of the stacked bilayers of AA molecules via formation of carboxylates. In this study first the uptake of different divalent cations in films of AA is estimated by atomic absorption spectroscopy (AAS). Through the amount of cation uptake, it is found that the strength of binding of different cations varies as Ca2+ \> Co2+ \> Pb2+ \> Cd2+. Variation in the binding strength of different ions is also manifested in experiments where AA thin films are exposed to metal ion mixtures. The higher binding strength of AA with certain metal ions when exposed individually, as well as the preference over the other metal ions when exposed to mixtures, reveal some interesting deviation from the expected behavior based on considerations of ionic radii. For example, Pb2+ is always found to bind to AA much more strongly than Cd2+ even though the latter has smaller ionic radius, indicating that other factors also play an important role in governing the binding strength trends apart from the effects of ionic radii. Then, to get a more meaningful knowledge regarding the binding capability, first-principles calculations based on density functional theory have been applied to study the interaction of different cations with the simplest carboxylic acid, acetic acid, that can result in formation of metal diacetates. Their electronic and molecular structures, cohesive energies, and stiffness of the local potential energy well at the cation (M) site are determined and attempts are made to understand the diversity in geometry and the properties of binding of different metal ions with -COOH group. We find that the calculated M-O bond energies depend sensitively on the chemistry of M atom and follow the experimentally observed trends quite accurately. The trends in M-O bond energies and hence the total M-acetate binding energy trends can actually be related to their molecular structures that fall into different categories: Ca and Cd have tetrahedral coordination; Fe, Ni, and Co exhibit planar 4-fold coordination; and Pb is off-centered from the planar structure (forming pyramidal structure) due to its stereochemically active lone pair of electrons.
}, doi = {10.1021/jp067906x}, author = {Bala, Tanushree and Bhagavatula L. V. Prasad and Sastry, Murali and Kahaly, Mousumi Upadhyay and Waghmare, Umesh V.} } @article { ISI:000243150300031, title = {Interface and defect structures in YBa(2)Cu(3)O(7-delta) and Nb : SrTiO(3) heterojunction}, journal = {Journal of Physics D-Applied Physics}, volume = {40}, number = {1}, year = {2007}, month = {JAN}, pages = {187-191}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
YBa(2)Cu(3)O(7-delta) thin films grown on a Nb-doped SrTiO(3) substrate by a pulsed laser deposition method have been fully characterized by scanning transmission electron microscopy Z- contrast imaging and electron energy loss spectroscopy techniques. The Nb distribution was found to be uniform and unchanged across the interface, ensuring a high quality p - n junction heterointerface. We first observed the coexistence of 124 and 125 YBCO defect structure phases, appearing as planar defects in a YBCO thin film. Dispersive Y(2)O(3) nanoparticles have also been observed in the thin film. The interaction of these defect structures and Y(2)O(3) nanoparticles is thought to be beneficial for pinning flux through the entire film thickness.
}, issn = {0022-3727}, doi = {10.1088/0022-3727/40/1/013}, author = {Fu, Lian-feng and Browning, Nigel D. and Ramadan, W. and Ogale, Satishchandra B. and Kundaliya, D. C. and Venkatesan, T.} } @article {17}, title = {Interfacial deposition of Ag on Au seeds leading to AucoreAgshell in organic media}, journal = {Journal of Colloid and Interface Science}, volume = {312}, number = {16}, year = {2007}, month = {AUG}, pages = {498-505}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, keywords = {core-shell nanoparticles, Gold, HRTEM, interfacial seeded growth, Silver, XPS}, issn = {0021-9797}, doi = {10.1016/j.jcis.2007.03.032}, author = {Chandran, S. Prathap and Ghatak, J. and Satyam, P. V. and Sastry, Murall} } @article {2}, title = {Investigating organization of molecules that facilitates intermolecular acyl transfer in crystals: reactivity and x-ray structures of O-benzoyl-myo-inositol 1,3,5-orthoesters}, journal = {European Journal of Organic Chemsitry}, volume = {293}, number = {7}, year = {2007}, month = {FEB}, pages = {1153-1159}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{Crystal structure analysis of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate reveals helical organization of the molecules, remarkably similar to that observed earlier in crystals of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthoformate. Both these dibenzoates are isostructural despite the bulkier phenyl substituent in place of hydrogen. The latter compound shows highly facile intermolecular benzoyl transfer reactivity in its crystals and as anticipated from the crystal structure, the orthobenzoate indeed exhibits facile benzoyl transfer reactivity in its crystals. 2-O-Benzoyl-myo-inositol 1,3,5-orthoformate and the corresponding orthobenzoate also undergo transesterification in their crystals, but the specificity of acyl transfer is very low, and the reaction yields a mixture of products. The parameters of helical molecular assembly that facilitates acyl transfer in crystals have been investigated. A comparison of the molecular assemblies and lattice interactions in crystals of all the four compounds with the observed reactivity patterns show that facile acyl transfer reaction is brought about by a modular {\textquoteleft}{\textquoteleft}reaction tunnel{\textquoteright}{\textquoteright}
}, keywords = {AOT, CdS-Ag2S, core-shell, Nanoparticles, w/o microemulsion, XPS}, issn = {0927-7757}, author = {Murali, Chebrolu and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000249986500041, title = {Ionic liquids as powerful solvent media for improving catalytic performance of silyl borate catalyst to promote Diels-Alder reactions}, journal = {Journal of Organic Chemistry}, volume = {72}, number = {21}, year = {2007}, month = {OCT}, pages = {8111-8114}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
[GRAPHICS] Use of the acidic chloroaluminate ionic liquid, including the recycled ones, can improve the catalytic activity of the toluene-coordinated silyl borate in enhancing rates, stereoselectivities, and yields of Diels-Alder reactions.
}, issn = {0022-3263}, doi = {10.1021/jo071099w}, author = {Kumar, Anil and Pawar, Sanjay S.} } @article { ISI:000251308700015, title = {Isopiestic osmotic coefficients of tetra-n-methylammonium chloride with guanidinium salts at 298.15 k}, journal = {Journal of Solution Chemistry}, volume = {36}, number = {11-12}, year = {2007}, month = {DEC}, pages = {1569-1584}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Isopiestic osmotic coefficients are presented for aqueous mixtures of tetra-n-methylammonium chloride, (CH3)(4)NCl, with guanidinium salts such as GnCl, CH(3)COOGn, GnNO(3), GnClO(4) and Gn(2)SO(4) at 298.15 K up to an ionic strength of 2 mol center dot kg(-1). The osmotic coefficients are analyzed in terms of the Scatchard-Rush-Johnson equations. The activity coefficients of each electrolyte in the mixtures were calculated and fitted by the Harned-type equations. The molar excess Gibbs energy of mixing, Delta(m) G(E), of the mixtures were analyzed with Friedman{\textquoteright}s equations.
}, keywords = {aqueous solutions, isopiestic method, Osmotic coefficients, Scatchard-Rush-Johnson equations, tetramethylammonium salts}, issn = {0095-9782}, doi = {10.1007/s10953-007-9206-6}, author = {Kumar, Anil} } @article { ISI:000244614500012, title = {Kinetics of hexene-1 polymerization using [(N,N {\textquoteleft}-diisopropylbenzene)-2,3-(1,8-napthyl)-1,4-diazabutadiene] dibromonickel/methylaluminoxane catalyst system}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {45}, number = {6}, year = {2007}, month = {MAR}, pages = {1093-1100}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
{Kinetics of hexene-1 polymerization was investigated using [(N,N{\textquoteright}-diiso-propylbenzene)2,3-(1,8-napthly)-1,4-diazabutadiene]/dibro monickel/methylaluminoxane catalyst. Experiments were performed at varying catalyst and monomer concentrations in the temperature range of -10 to 35 degrees C. First order time-conversion plot shows a downward curvature at temperatures of 20 degrees C and 35 degrees C indicating the presence of finite termination reactions. A nonlinear plot of degree of polymerization (P-n) with respect to conversion indicates occurrence of transfer reactions and slow initiation. The experimental molar masses are higher than predicted, which implies that a fraction of catalyst species could not be activated or is deactivated at the early stages of the reactions. The efficiency of the catalyst (Cat(eff)) varies from 0.77 to 0.89. The observed polydispersity of the poly(hexene-1) s is in the range of 1.18-1.48. The reaction order was found to be 1.11 with respect to catalyst. The Arrhenius plot obtained using the overall propagation rate constant, k(p), at five different temperatures (-10, 0, 10, 20, and 35 degrees C) was found to be linear with an activation energy
}, keywords = {Activation energy, chain transfer, degree of polymerization, hexene-1, kinetics (polym.), nickel (alpha-diimine)}, issn = {0887-624X}, doi = {10.1002/pola.21852}, author = {Subramanyam, Ummadisetty and Sivaram, Swaminathan} } @article { ISI:000246157400036, title = {Kinetics of reductive alkylation of p-phenylenediamine with methyl ethyl ketone using 3\% Pt/Al2O3 catalyst in a slurry reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {10}, year = {2007}, month = {MAY}, pages = {3243-3254}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Intrinsic kinetics of reductive alkylation of p-phenylenediamine (PPDA) with methyl ethyl ketone (MEK) using 3\% Pt/Al2O3 catalyst was studied in a slurry reactor. The overall reaction involves a combination of parallel and consecutive reactions involving equilibrium noncatalytic (homogeneous) and catalytic (heterogeneous) steps. For the purpose of kinetic modeling, the effects of PPDA concentration, catalyst loading, agitation speed, and partial pressure of hydrogen were studied in a temperature range of 373-413 K. Quantitative criteria were used to ensure that the reaction occurred in the kinetic regime. Different rate equations have been considered based on the elementary steps involving catalytic and noncatalytic reactions, which lay stress on the different types of interactions occurring between the reactants and the active catalyst sites. The best-fit rate model has been proposed by rigorous optimization and model discrimination procedures, by simulating the experimental concentration-time data. For the best-fit model, the agreement between the predicted and experimental data was found to be very good over a wide range of operating conditions.
}, issn = {0888-5885}, doi = {10.1021/ie0608556}, author = {Patil, Narendra G. and Roy, Debdut and Chaudhari, Amit S. and Chaudhari, Raghunath V.} } @article { ISI:000243268600010, title = {Lactic acid production from waste sugarcane bagasse derived cellulose}, journal = {Green Chemistry}, volume = {9}, number = {1}, year = {2007}, month = {JAN}, pages = {58-62}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Production of L(+) lactic acid from sugarcane bagasse cellulose, one of the abundant biomass materials available in India, was studied. The bagasse was chemically treated to obtain a purified bagasse cellulose sample, which is much more amenable to cellulase enzyme attack than bagasse itself. This sample, at high concentration (10\%), was hydrolyzed by cellulase enzyme preparations (10 FPU g(-1) cellulose) derived from mutants generated in our own laboratory. We obtained maximum hydrolysis (72\%), yielding glucose and cellobiose as the main end products. Lactic acid was produced from this bagasse cellulose sample by simultaneous saccharification and fermentation (SSF) in a media containing a cellulase enzyme preparation derived from Penicillium janthinellum mutant EU1 and cellobiose utilizing Lactobacillus delbrueckii mutant Uc-3. A maximum lactic acid concentration of 67 g l(-1) was produced from a concentration of 80 g l(-1) of bagasse cellulose, the highest productivity and yield being 0.93 g l(-1) h(-1) and 0.83 g g(-1), respectively. The mutant Uc-3 was found to utilize high concentrations of cellobiose (50 g l(-1)) and convert it into lactic acid in a homo-fermentative way. Considering that bagasse is a waste material available in abundance, we propose to valorize this biomass to produce cellulose and then sugars, which can be fermented to products such as ethanol and lactic acid.
}, issn = {1463-9262}, doi = {10.1039/b605839f}, author = {Adsul, Mukund G. and Varma, Anjanikumar and Gokhale, Digambar V.} } @article {42751, title = {Large bite bisphosphite, 2,6-C5H3N{CH2OP(-OC10H6)}, journal = {Journal of Organometallic Chemistry}, volume = {692}, year = {2007}, month = {MAR}, pages = {1683{\textendash}1689}, type = {Article}, abstract = {

Large bite bisphosphite ligand, 2,6-C5H3N{CH2OP({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2\ (2), is obtained by reacting chlorophosphite, {-OC10H6(μ-S)C10H6O-}PCl (1) with 2,6-pyridinedimethanol in presence of triethylamine.Treatment of\ 2\ with aqueous solution of H2O2\ or elemental sulfur resulted in the formation of bis(oxide) or bis(sulfide) derivatives, 2,6-C5H3N{CH2OP(E)({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2\ (3, E\ =\ O;\ 4, E\ =\ S) in quantitative yield.The 10-membered cationic chelate complex, [RuCl(η6-C10H14)η2-2,6-C5H3N{CH2OP({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2-κP,κP]Cl (5) is produced in the reaction between [Ru(p-cymene)(μ-Cl)(Cl)]2\ and bisphosphite\ 2, whereas the neutral chelate complex,\ cis-[Rh(CO)Cl{2,6-C5H3N{CH2OP({\textendash}OC10H6(μ-S)C10H6O{\textendash})}2}-κP,κP] (6) is isolated in the reaction of\ 2\ with 0.5 equiv.of [Rh(CO)2Cl]2.Compound\ 2\ on treatment with M(COD)Cl2\ (M\ =\ Pd, Pt) produce the chelate complexes, [MCl2{η2-2,6-C5H3N{CH2OP({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2}-κP,κP] (7, M\ =\ Pd;10, M\ =\ Pt).Similarly the reaction of bisphosphite\ 2\ with Pd(COD)MeCl affords\ cis-[PdMe(Cl)η2-2,6-C5H3N{CH2OP({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2-κP,κP] (8).Treatment of\ 2\ with [Pd(η3- C3H5)Cl]2\ in the presence of AgClO4\ furnish the cationic complex, [Pd(η3-C3H5)η2-2,6-C5H3N{CH2OP({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2-κP,κP]ClO4\ (9). The binuclear complex, [Au2Cl2{2,6-C5H3N{CH2OP({\textendash}OC10H6)(μ-S)(C10H6O{\textendash})}2}-κP,κP] (11) is obtained in the reaction of compound\ 2\ with two equiv. of AuCl(SMe2), where the ligand exhibits bridged bidentate mode of coordination. All the complexes are characterized by the\ 1H NMR,\ 31P NMR, elemental analysis and mass spectroscopy data. The cationic ruthenium complex\ 5\ is proved to be an active catalyst for the hydrogenation of styrene and α-methyl styrene.

\

\
}, doi = {10.1016/j.jorganchem.2006.12.037}, author = {Punji, Benudhar and Balakrishna, Maravanji S.} } @article { ISI:000246727900030, title = {Low density porous carrier based conceptual drug delivery system}, journal = {Microporous and Mesoporous Materials}, volume = {102}, number = {1-3}, year = {2007}, month = {MAY}, pages = {290-298}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Chronotherapy, a new approach for treating pathological conditions, is based on circadian rhythm. Present work conceptualizes a specific technology, based on combining floating and pulsatile principles to develop drug delivery system, intended for chronotherapy in arthritis. This approach was achieved by using low density microporous polypropylene, Accurel MP 1000 (R), as a multiparticulate carrier along with drug of choice ibuprofen. Carrier amount and solvent volume was kept invariant in designing this simple system by adsorbing drug via melting or solvent evaporation using different carrier: drug ratios. In solvent evaporation, methanol (M) and dichloromethane (DCM) were used. Drug loaded multiparticulate system was subjected to various characterization and evaluation parameters showing influence of adsorption process. Drug release study was performed in acidic environment using pH 1.2 HCl IP medium for 6 h to mimic gastric condition for evaluating gastroretention followed by basic environment using appropriate medium as phosphate buffer pH 7.2 IP for 3 h resembling transit. The release pattern showed influence of drug adsorption methods characterized by ever changing pore geometry with total release ranges in acidic medium as 10.7-27.6\% and final release as 55.6-88.6\%. Present drug delivery system devoid of any additives/excipients influencing drug release show distinct behaviour from other approaches/technologies in chronotherapy by (a) observing desired low drug release (11\%) in acidic medium (b) overcoming the limitations of process variables caused by multiple formulation steps (c) reducing time consumption due to single step process (d) can be extended to controlled release also. (C) 2007 Elsevier Inc. All rights reserved.
}, keywords = {chronotherapy, floating pulsatile drug delivery, low density porous carrier, melt adsorption, solvent polarity}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.01.001}, author = {Sher, Praveen and Ingavle, Ganesh C. and Ponrathnam, Surendra and Pawar, Atmaram P.} } @article { ISI:000244634100009, title = {Low density porous carrier - drug adsorption and release study by response surface methodology using different solvents}, journal = {International Journal of Pharmaceutics}, volume = {331}, number = {1}, year = {2007}, month = {FEB}, pages = {72-83}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Low density porous carriers are widely used in the pharmaceutical applications. Response surface methodology, using 3 2 factorial design was used to study drug adsorption on and its release patterns from microporous polypropylene (Accurel MP 1000((R))) in the absence of additives. Ibuprofen, as model drug, was adsorbed on the polymer by solvent evaporation using two organic solvents methanol (M) and dichloromethane (DCM). The amount of carrier (100 mg) and its particle size range (250-350 mu m) were kept invariant while solvent volume (X-1) and drug amount (X-2) were taken as variables. Drug adsorption pattern depended on the type and amount of solvent used. DSC, XRD, FTIR and TGA, predict crystalline nature and physical form of adsorption. SEM showed the penetration and adsorption of the drug in and on the microporous polymer. Accurel NIP 1000((R)) had a pore volume of 1.992 g/cm(3) and surface area of 55.9855 m(2)/g as detected by mercury porosimetery. On drug adsorption, pore volume ranged from 0.413 to 1.198 g/cm(3) for methanol and 0.280-0.759 g/cm(3) for DCM. Similarly surface area was in the range 38.445-25.497 m(2)/g for methanol and 18.710-32.528 m(2)/g for DCM. The drug release was investigated in phosphate buffer pH 7.2. All batches showed excellent in vitro floating property. Drug release was partial with recovery to complete dependent on type and volume of solvent. R 2 values relating to bulk density, pore volume, surface area and drug release at 60, 120 and 180 min were estimated. Effect of solvent properties shows a positive influence on drug adsorption and release. Release profiles of some batches could be considered as gastroretentive drug delivery system. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {3(2) factorial design, carrier, microporous polymer, Response surface methodology, solvent evaporation}, issn = {0378-5173}, doi = {10.1016/j.ijpharm.2006.09.013}, author = {Sher, Praveen and Ingavle, Ganesh C. and Ponrathnam, Surendra and Pawar, Atmaram P.} } @article { ISI:000245760900020, title = {Low temperature route to prepare LaFeO3 and LaCoO3}, journal = {Materials Letters}, volume = {61}, number = {10}, year = {2007}, month = {APR}, pages = {2030-2032}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A combination of digestion and further low temperature calcination to crystallize the product was employed to prepare LaFeO3 (LF) and LaCoO3 (LC) powders. Freshly co-precipitated lanthanum and ferric (or cobalt) hydroxide gels by sodium hydroxide were allowed to react at 100 degrees C under refluxing and stirring conditions for 4-6 h. These oven dried powders were heated at 450 degrees C to from crystalline LF (or LC) powders. The phase contents and lattice parameters were investigated by X-ray diffraction (XRD). Transmission electron microscope (TEM) investigations were carried out to examine the morphology and average particle size of these powders. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Chemical synthesis, LaFeO3, Precipitation, transmission electron microscopy, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.08.009}, author = {Jadhav, A. D. and Gaikwad, A. B. and Samuel, V. and Ravi, V.} } @article { ISI:000250178900006, title = {Low temperature synthesis and NOx sensing properties of nanostructured Al-doped ZnO}, journal = {Sensors and Actuators B-Chemical}, volume = {126}, number = {2}, year = {2007}, month = {OCT}, pages = {382-386}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Although ZnO is studied intensively as a sensing material, there are limited reports available on aluminum-doped ZnO (AZO) as a NO, sensor. This paper reports selective NO, sensing characteristics of M-doped ZnO synthesized in the form of porous pellets sintered at 350 degrees C. The salient feature of our experimental results is that our sensor can detect small concentrations of NO, at lower operating temperature. It is also observed that as compared to gases such as SOx HCl, LPG, H2S, H-2, ammonia, alcohol and acetone it selectively detects NOx due to Al-doping. The amount of Al in ZnO during synthesis is varied between 1 and 10 wt\%. Our sensor senses NO, concentration as low as 20ppm at 100 degrees C with a \%response of 11 and a \%response of 740 at 300 degrees C for 1 wt\% Al. Of all the compositions with Al-doping, I wt\% is found to give best results. Sensing experiments carried out at 350 C, however. do not show any significant improvement in the gas sensing properties. The phase contents and lattice parameters were determined by XRD and the average particle size was obtained using Scherrer formula. A probable mechanism for sensing NO, involving oxygen ion adsorption and desorption on the surface of sensor has been suggested. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {aluminum doping, nanomaterial, NOx, Sensor, ZnO}, issn = {0925-4005}, doi = {10.1016/j.snb.2007.03.019}, author = {Navale, S. C. and Ravi, V. and Mulla, Imtiaz S. and Gosavi, S. W. and Kulkarni, S. K.} } @article { ISI:000252511300009, title = {Low temperature synthesis of magnetite and maghemite nanoparticles}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {7}, number = {12}, year = {2007}, month = {DEC}, pages = {4294-4302}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
We report on the synthesis of iron oxide nanoparticles below 100 degrees C by a simple chemical protocol. The uniqueness of the method lies in the use of Ferrous ammoniurn sulphate (in conjugation with FeCl3) which helps maintain the stability of Fe-2+ state in the reaction sequence thereby controlling the phase formation. Hexamine was added as the stabilizer. The nanoparticles synthesized at three different temperatures viz, 5 degrees, 27 degrees, and 95 degrees C are characterized by several techniques. Generally, when a mixture of Fe3+ and Fe2+ is added to sodium hydroxide, alpha-Fe2O3 (the anti-ferromagnetic phase) is formed after the dehydration process of the hydroxide. In our case however, the phases formed at all the three temperatures were found to be ferro (ferri) magnetic, implying modification of the formation chemistry due to the specifics of our method. The nanoparticles synthesized at the lowest temperature exhibit magnetite phase, while increase in growth temperature to 95 degrees C leads to the maghemite phase.
}, keywords = {low temperature synthesis, maghemite, magnetite, Nanoparticles}, issn = {1533-4880}, doi = {10.1166/jnn.2007.873}, author = {Bhagwat, Shrikant and Singh, Hema and Athawale, Anjali and Hannoyer, Beatrice and Jouen, Samuel and Lefez, Benoit and Kundaliya, Darshan and Pasricha, Renu and Kulkarni, Shailaja and Ogale, Satishchandra B.} } @article { ISI:000252474200009, title = {Low voltage varistor ceramics based on SnO2}, journal = {Bulletin of Materials Science}, volume = {30}, number = {6}, year = {2007}, month = {DEC}, pages = {583-586}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
The nonlinear current (I)-voltage (V) characteristics of tin dioxide doped with either Nb2O5 and CoO or Sb2O3 and CoO show promising values of nonlinear coefficient (alpha) values (similar to 11) with low breakdown voltages (E-B, similar to 40 V mm(-1)). The pentavalent antimony or niobium acts as donor and increases the electronic conductivity. The crucial parameter for obtaining low breakdown voltage is the grain size, which depends upon sintering duration and temperature of these oxide ceramics.
}, keywords = {Chemical synthesis, electronic materials, Microstructure, tin oxide, X-ray diffraction}, issn = {0250-4707}, doi = {10.1007/s12034-007-0092-8}, author = {Dhage, S. R. and Ravi, V. and Yang, O. B.} } @article {42614, title = {Lubrication effects on the flow of wet granular materials}, journal = {Physical Review E}, volume = {76}, year = {2007}, month = {APR}, pages = {Article No. 031302}, type = {Article}, abstract = {
We investigate the dynamics of a partially saturated grain-liquid mixture with a rotating drum apparatus. The drum is partially filled with the mixture and then rotated about its horizontal axis. We focus on the continuous avalanching regime and measure the impact of the volume fraction and viscosity of the liquid on the dynamic surface angle. The inclination angle of the surface is observed to increase sharply to a peak and then decrease as a function of liquid volume fraction. The height of the peak is observed to increase with rotation rate. For higher liquid volume fractions, the inclination angle of the surface can decrease with viscosity before increasing. The viscosity where the minimum occurs decreases with the rotation rate of the drum. Limited measurements of the flow depth were made, and these were observed to show only fractional changes with volume fraction and rotation speeds. We show that the qualitative features of our observations can be understood by analyzing the effect of lubrication forces on the time scale over which particles come in contact.
}, doi = {10.1103/PhysRevE.76.031302}, author = {Xu, Qing and Orpe, Ashish V. and Kudrolli, Arshad} } @article {REDDY, title = {Macroporous beads for lipase immobilization: kinetic resolution of a racemic drug intermediate}, journal = {Journal of Bioactive and Compatible Polymers}, volume = {22}, number = {2}, year = {2007}, month = {MAR}, pages = {174-194}, publisher = {HORTICULTURAL SOC INDIA}, type = {Article}, address = {DIV FRUITS \& HORTICULTURAL TECHNOL, INDIAN AGRICULTURAL RESEARCH INST, NEW DELHI, 110 012, INDIA}, abstract = {
{Lipase isolated from Arthrobacter sp. (RRLJ-1, MTCC No. 5125, named ABL), is effective in resolving a wide range of racemic drug intermediates. In this study, ABL was immobilized on a series of synthetic macroporous epoxy copolymers beads with varying pore sizes, surface area and hydrophobicity. Poly(glycidyl methacrylate-co-ethylene dimethacrylate) beads, with 75\% crosslink density and 10\% of epoxy groups modified with dibutyl amine [
}, keywords = {auxin pulse, coco-peat, grape, micropropagation, plantlet survival}, issn = {0972-8538}, author = {Bhushan, Indu and Parshad, Rajinder and Qazi, G. N. and Ingavle, Ganesh C. and Jamalpure, Trupti M. and Rajan, C. R. and Ponrathnam, Surendra and Gupta, V. K.} } @article { ISI:000249655500007, title = {Magnetic transition and large magnetocaloric effect associated with surface spin disorder in Co and CocoreAgshell nanoparticles}, journal = {Journal of Physical Chemistry C}, volume = {111}, number = {38}, year = {2007}, month = {SEP}, pages = {14060-14066}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report a reversible, large magnetocaloric effect in the vicinity of a low-temperature magnetic transition in Co and CocoreAgshell nanoparticles synthesized using a wet chemical method. The as-synthesized assembly of the particles shows a sharp low-temperature peak in the zero-field-cooled (ZFC) magnetization well below the blocking transition temperature, and this feature is associated with the surface spin disorder. Co nanoparticles show a large increase in the magnetic entropy at around 15 K with a peak value of nearly 2.25 J/K center dot kg for an applied field of 30 kOe. A similar trend is also observed in the silver-coated Co particles. These are some of the largest NICE values observed in nanoparticles to date. The features are ascribed to the low-temperature spin-glass-like freezing transition associated with the surface spins in the shell region that is distinct from the behavior of core spins. Our studies reveal that manipulating the surface anisotropy in core-shell nanoparticles has the potential to lead to a large NICE effect and thus prove to be useful for magnetic refrigeration.
}, issn = {1932-7447}, doi = {10.1021/jp073274i}, author = {Poddar, P. and Srinath, S. and Gass, James and Bhagavatula L. V. Prasad and Srikanth, H.} } @article { ISI:000245041400042, title = {Mass transfer in bubble column reactors: effect of bubble size distribution}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {7}, year = {2007}, month = {MAR}, pages = {2205-2211}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Mass transfer in a bubble column is analyzed in a different perspective. The experiments were performed in a bubble column reactor that was operated in a regime where the overall rate of absorption of gas into liquid was dependent on both the mass-transfer coefficient and the rate of reaction. Homogeneous catalytic oxidation of sodium sulfite was considered as a model reaction. The local instantaneous velocity data was measured using LDA in the presence of reaction and was used to yield the bubble size distribution at several locations in the column. The role of individual bubble size during mass transfer with chemical reaction was observed to vary. The findings suggest that a narrow bubble size distribution would help to achieve uniformity in the performance at bubble scale, so that an identical regime of mass transfer with reaction exists at the individual bubble level.
}, issn = {0888-5885}, doi = {10.1021/ie061015u}, author = {Kulkarni, Amol A.} } @article { ISI:000250060600014, title = {Mechanistic investigations of phase behavior in Eudragit (R) blends}, journal = {International Journal of Pharmaceutics}, volume = {343}, number = {1-2}, year = {2007}, month = {OCT}, pages = {106-121}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Blends of Eudragit (R) E (EE) and polymeric excipients using thermal analysis and FTIR spectroscopy were examined. The interactions amongst the blend components were quantified in terms of parameters K-1 and K-2 in Schneider equation and were explained on the basis of interactions between the functional groups of the blend constituents investigated by FTIR spectroscopy. EE formed miscible blends with EC and polyelectrolyte complexes increasing in strength in the order: ES \< HPMCP \< CAP \< EL. From the T-g data the weight fraction of EE in the polyelectrolyte complex was determined. The importance of formulating polyelectrolyte complexes in stoichiometric ratios has been highlighted. The duration over which the release can be sustained by polyelectrolyte complexes has been correlated with equilibrium swelling of the polyelectrolyte complex and parameter K, for the first time. This would help in the choice of blend constituents and composition to tailor drug release. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {degree of swelling, Glass transition temperature, miscibility, polyelectrolyte complex, polymer blends, polymer-polymer interactions}, issn = {0378-5173}, doi = {10.1016/j.ijpharm.2007.05.033}, author = {Menjoge, Anupa R. and Kulkarni, M. G.} } @article { ISI:000251068800001, title = {Metal complexes of crosslinked chitosans. part II. an investigation of their hydrolysis to chitooligosaccharides using chitosanase}, journal = {International Journal of Biological Macromolecules}, volume = {41}, number = {5}, year = {2007}, month = {DEC}, pages = {491-496}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
This paper investigates the behavior of crosslinked chitosans and metal-complexed crosslinked chitosans under similar hydrolytic conditions. Crosslinked chitosans with trimellitic anhydride, diisocyanatohexane, and dibromodecane as crosslinking agents under heterogenous reaction conditions were used as metal complexing agents by equilibrating them with metal salts such as ZnCl2, MnSO4, CuSO4, CdSO4, Pb(NO3)(2), and HgCl2. Crosslinked chitosan without metal complexation had the same hydrolytic behavior as uncrosslinked chitosan. However, when the crosslinked chitosans were complexed with metals, their rates of hydrolysis and extent of hydrolysis were significantly reduced. Thus, while for chitosan about 840 mu g/ml reducing sugar was produced in 4 h time, and 780 mu g/ml was produced for diisocyanatohexane crosslinked chitosan, only 400 mu g/ml and 320 [mu g/ml reducing sugars were produced for cadmium sulfate with crosslinked chitosan and diisocyanatohexane crosslinked chitosan, respectively. Similar results are obtained for other crosslinking agents. Studies on preincubation of the metal with the enzyme show that of the metals studied, Mn has no effect on preincubatioin with the enzyme, Hg, Cd, Pb, and Cu completely deactivates the enzyme, while Zn reduces the enzyme activity by about 43.3\%. Preincubation of the metal salts with the chitosan shows that Hg and Cu completely deactivate the molecule from enzyme hydrolysis, Cd and Zn inactivate it to the extent of 56.8\% and 43.3\%, respectively, while Mn has no effect. Availability of the amino functions seems to be a key feature for the chitosanase to hydrolyze the chitosan polymer. This was also proved by the significant increase in the extent of hydrolysis for chitosan samples with 88\% (final value 1120 mu g/ml reducing sugar) and 85\% deacetylation (final value 840 mu g/ml reducing sugar). HPIC studies of the products show that a variety of oligomers are produced in the chitosanase enzyme hydrolytic reaction. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {chitooligosaccharides, Chitosan, chitosanase hydrolysis, Crosslinked chitosan, metal-complexed crosslinked chitosan}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2007.06.009}, author = {Trimukhe, K. D. and Bachate, S. and Gokhale, D. V. and Varma, Anjanikumar} } @article {sanjayan, title = {Metal-organic hybrids of 1,3,5-tris(4-pyridylsulfanylmethyl)-2,4,6-trimethylbenzene with mercuric halides}, journal = {European Journal of Inorganic Chemistry}, number = {8}, year = {2007}, month = {MAR}, pages = {1150-1158}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {Synthesis and solid-state structure elucidation of metal-organic hybrids of 1,3,5-tris(4-pyridylsulfanylmenthyl)-2,4,6-trimethylbenzene with Hg(II) halides (HgCl(2), HgBr(2), and HGI(2)) are reported. In the metal-hybrids of L(1), a reaction with HgCl(2) in dmso as well as in dmf gave host-guest complexes, 1a and 1b, respectively, with the corresponding solvent of crystallization as the guests, while a reaction with HgI(2) gave open-frame network structures without any solvent of crystallization from both dmso and dmf (1c). However, reaction with HgBr(2) gave crystals of two different morphologies from each solvent dmso and dmf (1d-1f), which corresponds to the structures with and without solvent of crystallization that resemble the related structures formed by HgCl(2) and HgI(2), respectively. Three-dimensional structures of all the compounds were characterized by single-crystal X-ray diffraction methods. While 1a and 1b crystallize in triclinic P (1) over bar space groups 1a: a = 9.049(2), b = 13.646(4), c = 16.298(4) angstrom, a = 111.99(1), beta = 90.43(1), gamma = 101.57(1)degrees, Z = 2, V = 1820.6(8) angstrom(3), 1b: a = 8.9799(3), b = 13.611(5), c = 16.355(5) angstrom, a = 111.57(1), beta = 92.37(1), gamma = 101.07(1)degrees, Z = 2, V = 1810.05(11) angstrom(3) complexes 1c-1f crystallize into monoclinic space groups [1c: C2/c, a = 27.661(7), b = 18.821(4), c = 15.786(4) angstrom, beta = 113.13(1), Z = 4, V = 7558(3) angstrom(3), 1d: P2(1)/c, a = 17.950(5), b = 9.031(2), c = 22.200(6) angstrom, beta = 113.62(1), Z = 4, V = 3297.3(15) angstrom(3), 1e: C2/c, a = 26.753(15), b = 18.415(10), c = 14.940(7) angstrom, beta = 109.50(1), Z = 4, V = 6938(6) angstrom(3), 1f: P2(1)/n, a = 17.697(10), b = 9.224(5), c = 21.933(12) angstrom, beta = 112.50(1), Z = 4, V = 3308(3) angstrom(3)]. ((c) Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheim, Germany, 2007).}, keywords = {Biomass, dominant, Modelling, pyrolysis shrinkage}, issn = {0196-8904}, doi = {10.1002/ejic.200600867}, author = {PrakashaReddy, Jayarama and Pedireddi, Venkateswara Rao} } @article { ISI:000248145900007, title = {MgBr2-mediated ionic Diels-Alder reaction of acetals of alpha,beta-unsaturated aldehydes and ketones with 1,3-dienes}, journal = {Synthetic Communications}, volume = {37}, number = {14}, year = {2007}, month = {JUL}, pages = {2337-2343}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A facile, mild, and efficient methodology for the ionic Diels-Alder reaction of acetals of alpha,beta-unsaturated ketones and aldehydes as dienophiles with various 1,3- dienes employing MgBr2 as the Lewis acid catalyst to furnish corresponding Diels-Alder adducts at ambient temperature is described.
}, keywords = {acetals, Catalysts, Diels-Alder reactions, dienes}, issn = {0039-7911}, doi = {10.1080/00397910701410814}, author = {Chavan, Subhash P. and Ethiraj, Krishna S. and Dantale, Shubhada W.} } @article { ISI:000251643300013, title = {Micropropagation of mature pongamia pinnata pierre}, journal = {In Vitro Cellular \& Developmental Biology-Plant}, volume = {43}, number = {6}, year = {2007}, month = {DEC}, pages = {608-613}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
Murashige and Skoog{\textquoteright}s (MS) basal medium with benzylaminopurine (BA), kinetin (KN), zeatin (Z), and thidiazuron (TDZ) were tested for induction of multiple shoots from mature-tree-derived axillary meristems of Pongamia pinnata. Sprouting of buds was 64\% on medium devoid of plant growth regulators (PGR). Incorporation of BA, KN, or Z was ineffective in enhancing sprouting frequency or induction of multiple shoots. Sprouting was completely suppressed in the presence of TDZ. Caulogenic buds appeared in nodal meristems of these explants after withdrawal of TDZ. The number of shoot buds was more on explants precultured in higher concentrations. At higher concentrations of this PGR, a swelling developed at the axil. Multiple shoot primordia appeared and differentiated from this swelling after culturing these explants on MS medium for six passages of 2 wk each. Shoots were harvested and cultured on 0.45 mu M TDZ for further proliferation. Primary explants after harvesting of shoots were identified as {\textquoteleft}stump{\textquoteright}. Reculturing of stumps on 0.45 mu M TDZ produced more shoots. This step was followed for six cycles to obtain additional shoots in each cycle. Shoots maintained on 0.45 mu M TDZ elongated and rooted (70\%) on growth regulator-free medium. Rooted shoots (65\%) survived transfer to a sand/soil mixture. This report describes the protocol for micropropagation of P. pinnata using mature-tree-derived nodal meristems. Recycling of mature stock to produce a stream of useable shoots for subculturing and eventual stabilization is of great value and can possibly be generalized as an isolation protocol especially for woody species. Repeated proliferation of caulogenic buds from the same origin may also find application in rescue of endangered germplasm.
}, keywords = {Biodiesel, Pongam, Pongamia, shoot differentiation, thidiazuron}, issn = {1054-5476}, doi = {10.1007/s11627-007-9049-2}, author = {Sujatha, K. and Hazra, Sulekha} } @article { ISI:000249699500005, title = {Mitochondrial haplotypes reveal a strong genetic structure for three Indian sheep breeds}, journal = {Animal Genetics}, volume = {38}, number = {5}, year = {2007}, month = {OCT}, pages = {460-466}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
This survey represents the first characterization of mitochondrial DNA diversity within three breeds of Indian sheep (two strains of the Deccani breed, as well as the Bannur and Garole breeds) from different geographic regions and with divergent phenotypic characteristics. A 1061-bp fragment of the mitochondrial genome spanning the control region, a portion of the 12S rRNA gene and the complete phenyl tRNA gene, was sequenced from 73 animals and compared with the corresponding published sequence from European and Asian breeds and the European Mouflon (Ovis musimon). Analysis of all 156 sequences revealed 73 haplotypes, 52 of which belonged to the Indian breeds. The three Indian breeds had no haplotypes in common, but one Indian haplotype was shared with European and other Asian breeds. The highest nucleotide and haplotype diversity was observed in the Bannur breed (0.00355 and 0.981 respectively), while the minimum was in the Sangamneri strain of the Deccani breed (0.00167 and 0.882 respectively). All 52 Indian haplotypes belonged to mitochondrial lineage A. Therefore, these Indian sheep are distinct from other Asian and European breeds studied so far. The relationships among the haplotypes showed strong breed structure and almost no introgression among these Indian breeds, consistent with Indian sheep husbandry, which discourages genetic exchange between breeds. These results have implications for the conservation of India{\textquoteright}s ovine biodiversity and suggest a common origin for the breeds investigated.
}, keywords = {Genetic diversity, Indian sheep, mitochondrial DNA, mitochondrial lineage, phylogeographic distribution, sheep domestication}, issn = {0268-9146}, doi = {10.1111/j.1365-2052.2007.01636.x}, author = {Pardeshi, V. C. and Kadoo, Narendra Y. and Sainani, Mohini N. and Meadows, J. R. S. and Kijas, J. W. and Gupta, Vidya S.} } @article { ISI:000251763600036, title = {Modeling of bubble column slurry reactor for reductive alkylation of p-phenylenediamine}, journal = {Chemical Engineering Science}, volume = {62}, number = {24, SI}, year = {2007}, note = {8th International Conference on Gas-Liquid and Gas-Liquid-Solid Reactor Engineering, Indian Inst Technol Delhi, New Delhi, INDIA, DEC 16-19, 2007}, month = {DEC}, pages = {7290-7304}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A bubble column slurry reactor (BCSR) model has been developed for the reductive alkylation of p-phenylenediamine (PPDA) with methyl ethyl ketone (MEK) to N, N{\textquoteright}-di-secondary-alkyl-p-phenylenediamine (Di-amine). This particular reaction system is commercially relevant and involves a combination of parallel and consecutive reactions comprising equilibrium non-catalytic (homogeneous) and catalytic (heterogeneous) steps. The proposed model is based on the {\textquoteleft}mixing cell approach{\textquoteright}. In this work the mixing cell approach has been extended by including a liquid backflow stream from all but the bottommost mixing cell. The model incorporates the contributions of gas-liquid and liquid-solid mass transfer, heat effects, and complex multistep reaction kinetics. CFD model is used to estimate the extent of backflow among mixing cells and its dependence on operating parameters. The effect of gas and liquid velocities, catalyst loading, inlet PPDA concentration, and temperature on the conversion, selectivity, global rate of hydrogenation, and temperature rise is discussed. The comparison of the current approach with the traditional mixing cell model is discussed. The BCSR model presented here will be useful to provide guidelines for designing and improving overall performance of bubble column reactors. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {bubble columns, CFD, kinetics, Mathematical modeling, Reductive alkylation}, issn = {0009-2509}, doi = {10.1016/j.ces.2007.08.065}, author = {Chaudhari, Amit S. and Rampure, Mohan R. and Ranade, Vivek V. and Jaganathan, Rengaswamy and Chaudhari, Raghunath V.} } @article { ISI:000247546800001, title = {Modified nucleic acid substructures in medicinal chemistry and drug development}, journal = {Current Topics in Medicinal Chemistry}, volume = {7}, number = {7}, year = {2007}, month = {JAN}, pages = {639}, publisher = {BENTHAM SCIENCE PUBL LTD}, type = {Article}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, issn = {1568-0266}, doi = {10.2174/156802607780487731}, author = {Kumar, Vaijayanti A.} } @article { ISI:000250584500016, title = {Multiutility sophorolipids as nanoparticle capping agents: synthesis of stable and water dispersible Co nanoparticles}, journal = {Langmuir}, volume = {23}, number = {23}, year = {2007}, month = {NOV}, pages = {11409-11412}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Sophorolipids are a class of glycolipids that can be obtained from fatty acids by simply treating them with yeast cells (Candida bombicola, ATCC 22214) and glucose. In this letter, we demonstrate the application of sophorolipids obtained from oleic acid as a capping agent for Co nanoparticles. Upon capping the nanoparticle surface, the sugar moiety of these sophorolipids is exposed to the solvent environment, making the nanoparticles stable and water-redispersible.
}, issn = {0743-7463}, doi = {10.1021/la702931j}, author = {Kasture, Manasi and Singh, Sanjay and Patel, Pitamber and Joy, Pattayil Alias and Prabhune, Asmita and Ramana, C. V. and Bhagavatula L. V. Prasad} } @article { ISI:000249893900002, title = {NaIO4/LiBr-Mediated direct conversion of benzylic alcohols and aromatic aldehydes to aromatic esters}, journal = {Synthetic Communications}, volume = {37}, number = {16}, year = {2007}, month = {AUG}, pages = {2641-2646}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Aromatic aldehydes or benzylic alcohols are directly converted to the corresponding aromatic esters in high yields on treatment with methanol or ethanol mediated by sodium metaperiodate (NaIO4)/LiBr in an acidic medium.
}, keywords = {aromatic ester, benazaldehyde, Benzyl alcohol, Lithium bromide, Sodium metaperiodate}, issn = {0039-7911}, doi = {10.1080/00397910701465032}, author = {Shaikh, Tanveer Mohammad Ali and Emmanuvel, Lourdusamy and Sudalai, Arumugam} } @article { ISI:000244127600016, title = {NaIO4-mediated asymmetric bromohydroxylation of alpha,beta-unsaturated carboxamides with high diastereoselectivity: a short route to (-)-cytoxazone and droxidopa}, journal = {Tetrahedron Letter}, volume = {48}, number = {8}, year = {2007}, month = {FEB}, pages = {1375-1378}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The NaIO4-mediated asymmetric bromohydroxylation of alpha,beta-unsaturated carboxamides was achieved using lithium bromide as the bromine source under acidic conditions at rt to afford the corresponding chiral alpha-bromo-beta-hydroxy carboxamides. Excellent yields (77-90\%) and diastereoselectivities (up to 10:1) along with exclusive control over regio- as well as anti-selectivity are the main features with a good scope of substrates. The method has successfully been applied in the enantioselective syntheses of two biologically important molecules, viz (-)-cytoxazone and L-threo-DOPS (droxidopa). (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {asymmetric bromohydroxylation, Carboxamide, cytoxazone, droxidopa, NaIO4}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.12.109}, author = {George, Shyla and Narina, Srinivasarao V. and Sudalai, Arumugam} } @article {56}, title = {NCL-7, a novel all silica analog of polymorph B rich member of BEA family: synthesis and characterization}, journal = {Microporous and Mesoporous Materials}, volume = {101}, number = {1-2}, year = {2007}, note = {International Symposium on Zeolite and Microporous Crystals (ZMPC 2006), Yonago, JAPAN, JUL 30-AUG 02, 2006}, month = {APR}, pages = {108-114}, publisher = {Japan Assoc Zeolites}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{Polymorph B-rich BEA type structure, NCL-7, was synthesized using hydrothermal method in fluoride medium using perchloric acid as promoter. The samples were characterized using XRD, low temperature N-2-adsorption and Si-29 MASNMR. As the structure of beta is highly disordered Rietveld refinement of powder XRD patterns is precluded. Phase composition is derived using the simulated patterns for the random intergrowths of polymorph A and B by DIFFaX. The stacking direction c{\textquoteright} is perpendicular to the a{\textquoteright}b{\textquoteright} plane of the layer. The composition of polymorph B is found to be ca. 60-65\%. Two other structures namely NCL-5 and NCL-6 with varying degree of polymorph B enrichment were also synthesized. Synthesis parameters such as effect of H2O/SiO2, TEAOH/SiO2, HClO4/SiO2 and crystallization temperature were studied thoroughly. The present article explains for the first time the synthesis and characterization of NCL-7, an analog of BEA type family with enrichment of polymorph B and its comparison with normal beta (*
}, keywords = {B-polymorph, DIFFaX, Promoter, Reitveld refinement, synthesis, zeolite beta}, issn = {1520-6106}, doi = {10.1016/j.micromeso.2006.10.033}, author = {Kadgaonkar, Mahesh D. and Kasture, Mahesh W. and Bhange, Deu S. and Joshi, Praphulla N. and Ramaswamy, Veda and Kumar, Rajiv} } @article { ISI:000249838300014, title = {Nearly complete oxidation of Au(0) in hydrophobized nanoparticles to Au(3+) ions by N-bromosuccinimide}, journal = {Journal of Physical Chemistry C}, volume = {111}, number = {39}, year = {2007}, month = {OCT}, pages = {14348-14352}, publisher = {AMER CHEMICAL SOC}, type = {article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Au degrees atoms in hydrophobized gold nanoparticles were oxidized to Au(3+) ions, nearly quantitatively, simply by treatment with N-bromosuccinimide and sonication. (1)H NMR results indicate that the octadecylamine molecules are detached from the Au degrees surface by NBS. The bromine molecules released by NBS are suggested to be the species responsible for the oxidation of Au degrees to Au(3+), which is supported by the observation that addition of molecular bromine also leads to similar results. A gratifying feature is that the Au(3+) ions could be subsequently reduced back to An nanoparticles.
}, issn = {1932-7447}, doi = {10.1021/jp073717i}, author = {Singh, Sanjay and Bhagavatula L. V. Prasad} } @article { ISI:000246869200003, title = {New technique to study kinetics of chain conformation in polyaniline films}, journal = {Polymer Journal}, volume = {39}, number = {4}, year = {2007}, month = {FEB}, pages = {296-297}, publisher = {SOC POLYMER SCIENCE JAPAN}, type = {Article}, address = {TSUKIJI DAISAN NAGAOKA BLDG, 2-4-2 TSUKIJI, CHUO-KU, TOKYO, 104, JAPAN}, keywords = {Conformation, kinetics, laser, polyaniline, reflection}, issn = {0032-3896}, doi = {10.1295/polymj.PJ2006188}, author = {Harima, Yutaka and Kishimoto, Kazuya and Ogawa, Fumiyuki and Jiang, Xiaoqing and Patil, Rahul} } @article { ISI:000244293000015, title = {Nitrate reductase-mediated synthesis of silver nanoparticles from AgNO3}, journal = {Biotechnology Letters}, volume = {29}, number = {3}, year = {2007}, month = {MAR}, pages = {439-445}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Synthesis of silver nanoparticles using alpha-NADPH-dependent nitrate reductase and phytochelatin in vitro has been demonstrated for the first time. The silver ions were reduced in the presence of nitrate reductase, leading to the formation of a stable silver hydrosol 10-25 nm diam. and stabilized by the capping peptide. The nanoparticles were characterized by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy and UV-Vis absorption. These studies will help in designing a rational enzymatic strategy for the synthesis of nanomaterials of different chemical composition, shapes and sizes as well as their separation.
}, keywords = {Capping Peptide, enzymatic method, nitrate reductase, silver nanoparticles}, issn = {0141-5492}, doi = {10.1007/s10529-006-9256-7}, author = {Kumar, S. Anil and Abyaneh, Majid Kazemian and Gosavi, S. W. and Kulkarni, Sulabha K. and Pasricha, Renu and Ahmad, Absar and Khan, Mohammad Islam} } @article { ISI:000246347900035, title = {Nitration and amination of polyphenylene oxide: synthesis, gas sorption and permeation analysis}, journal = {European Polymer Journal}, volume = {43}, number = {4}, year = {2007}, month = {APR}, pages = {1450-1459}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A high degree of nitration of polyphenylene oxide (PPO) was successfully achieved by carefully optimizing synthetic protocol. The reduction of nitro group to amino could be done quantitatively. The physical properties of formed polymers were investigated and correlated with gas sorption and permeation properties. The formed polymers were amorphous in nature as revealed by wide angle X-ray diffraction spectra. An increase in the packing density in comparison to unsubstituted PPO as a result of induced polarity was indicated by lowering of fractional free volume and d-spacing. The substitution by either nitro or amino group increased the chain stiffness as revealed by the dynamic mechanical analysis. Though both, nitro and amino group substitution on PPO led to a decrease in pure gas permeability, the selectivity of various gas pairs was increased by these substitutions. The gas sorption analysis revealed that both, solubility selectivity and diffusivity selectivity were increased by these polar group substitutions. The nitro group substitution was more effective in improving solubility selectivity, while amino group substitution was more effective in improving diffusivity selectivity. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Amination, nitration, permeation, polyphenylene oxide, Sorption}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2007.01.017}, author = {Bhole, Yogesh S. and Karadkar, Prasad B. and Kharul, Ulhas K.} } @article {35}, title = {N,N {\textquoteleft},N {\textquoteleft}{\textquoteright}-Tri-Boc-guanidine (TBG): a common starting material for both N-alkyl guanidines and amidinoureas}, journal = {Tetrahedron Letter}, volume = {48}, number = {10}, year = {2007}, month = {MAR}, pages = {1725-1727}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
{In this Letter, we describe the unexpected reaction pattern of N,N{\textquoteright},N{\textquoteright}{\textquoteright}
}, keywords = {1-substituted-1H-1, 2, 3, 4-tetrazoles, Ionic liquid, sodium azide, substituted amine, triethyl orthoformate}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.01.055}, author = {Prabhakaran, Panchami and Sanjayan, Gangadhar J.} } @article {Huang, title = {Novel hybrid of clay, cellulose, and thermoplastics. I. preparation and characterization of composites of ethylene-propylene copolymer}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {4}, year = {2007}, month = {MAY}, pages = {2672-2682}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
{The present study is aimed to prepare hybrid materials by incorporating layered silicates and microcrystalline cellulose into thermoplastic polymer. Using ethylene-propylene (EP) copolymer as thermoplastic polymer matrix and maleated EP (MEP) copolymer as compatibilizer, three types of composites were prepared by (i) melt mixing of cellulose with thermoplastics [
}, keywords = {abrupt contraction, Arbitrary Lagrangian Eulerian, finite element, simulations}, issn = {0957-4166}, doi = {10.1002/app.25659}, author = {Kumar, Annamalai Pratheep and Singh, Raj Pal} } @article { ISI:000244119800006, title = {Novel one-pot three-component synthesis of 2,4-disubstituted-3H-benzo[b][1,4]diazepines in water}, journal = {Green Chemistry}, volume = {9}, number = {2}, year = {2007}, month = {NOV}, pages = {146-152}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel green and efficient one-pot three-component synthesis of 2,4-disubstituted-3H-benzo[b][1,4]diazepines in excellent isolated yields has been reported. The methodology initially involves the formation of ynones via coupling of a wide range of acid chlorides with terminal alkynes catalysed by Pd(OAc)(2) under copper-, ligand- and solvent-free conditions in just 10 min at rt followed by the Michael addition and cyclocondensation of o-phenylenediamines added in situ using water as a solvent at reflux temprature. In addition, the structure of the benzodiazepine was confirmed to be the diimino molecule and not the enamine by X-ray crystallographic analysis of the benzodiazepine 4b. The methodology is suitable for the operation in combi-chem mode to generate libraries of a diverse array of benzodiazepines. The methodology has been successful in achieving the twin green chemistry objectives of a solvent and ligand free operation and the use of water as a non-hazardous, inexpensive and readily available solvent in the sequential reaction steps performed in situ, thus combining the features of both economic and environmental advantages.
}, issn = {1463-9262}, doi = {10.1039/b610523h}, author = {Palimkar, Sanjay S. and Lahoti, Rajgopal J. and Srinivasan, Kumar V.} } @article {42463, title = {Novel reaction of the {\textquotedblleft}huisgen zwitterion{\textquotedblright} with chalcones and dienones: an efficient strategy for the synthesis of pyrazoline and pyrazolopyridazine derivatives}, journal = {Angewandte Chemie-International Edition}, volume = {46}, year = {2007}, month = {MAR}, pages = {2070{\textendash}2073}, type = {Article}, abstract = {
Two unexpected transformations: The reaction of the Huisgen zwitterion derived from triphenylphosphane and diisopropyl azodicarboxylate (DIAD) with chalcones affords functionalized pyrazolines. In contrast, the reaction with dienones affords pyrazolopyridazines, presumably by Diels{\textendash}Alder reaction of the initially formed pyrazoline with excess DIAD (see scheme).
}, keywords = {chalcones; nitrogen heterocycles; pyrazolines; synthetic methods; zwitterions}, doi = {10.1002/anie.200604025}, author = {Nair, Vijay and Biju, Akkattu T. and Mathew, Smitha C. and Eringathodi, Suresh} } @article { ISI:000243164000035, title = {Novel technique to prepare LiNbO3 at low temperature}, journal = {Materials Letter}, volume = {61}, number = {3}, year = {2007}, month = {FEB}, pages = {765-766}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Fresh niobium hydroxide was first precipitated from NbF5 solution using an aqueous ammonium hydroxide under basic conditions. Then a simple procedure of mixing lithium and niobium hydroxides together and heating at a low temperature (400 degrees C) produced pure ultrafine single phase LiNbO3 (LN). In the literature, this is the lowest temperature so far reported on the formation of LN. The phase content and lattice parameters are determined by X-ray diffraction (XRD). The average particle size and morphology were studied by transmission electron microscopy (TEM). (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Chemical synthesis, Electron microscopy, electronic materials, LiNbO3, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.05.056}, author = {Samuel, V. and Gaikwad, A. B. and Jadhav, A. D. and Mirji, S. A. and Ravi, V.} } @article { ISI:000244304100004, title = {Nuclease Stn alpha from Streptomyces thermonitrificans: characterization of the associated adenylic acid preferential ribonuclease activity}, journal = {Current Microbiology}, volume = {54}, number = {3}, year = {2007}, month = {MAR}, pages = {186-189}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
Nuclease Stn alpha from Streptomyces thermonitrificans hydrolyses DNA and RNA at the rate of approximately 10:l. The optimum pH and temperature for RNA hydrolysis were 7.0 and 45 degrees C. The RNase activity of nuclease Stn alpha had neither an obligate requirement of metal ions nor was it activated in the presence of metal ions. The enzyme was inhibited by Zn2+, Mg2+, Co2+, and Ca2+; inorganic phosphate; pyrophosphate; NaCl; KCl; and metal chelators. It was stable at high concentrations of urea but susceptible to low concentrations of Sodium dodecyl sulfate and guanidine hydrochloride. The rates by which nuclease Stn alpha hydrolysed polyribonucleotides occurs in the order of poly A \>\> RNA \>\> poly U \> poly G \> poly C. The enzyme cleaved RNA to 3{\textquoteright} mononucleotides with preferential liberation of 3{\textquoteright}AMP, indicating it to be an adenylic acid preferential endonuclease.
}, issn = {0343-8651}, doi = {10.1007/s00284-006-0020-y}, author = {Deshmukh, Satej S.} } @article {42750, title = {O-2-Naphthyl diphenylthiophosphinate}, journal = {Acta Crystallographica Section E-Crystallographic Communications}, volume = {63}, year = {2007}, month = {DEC}, pages = {4644}, type = {Article}, abstract = {
The mol-ecule of the title compound, C10H7OP(S)(C6H5)2 or C22H17OPS, exhibits distorted tetra-hedral geometry about the P atom. The P=S bond of 1.9355 (4) {\r A} is shorter than that found in Ph3P=S [1.950 (3) {\r A}] because the replacement of one carbon on phospho-rus by oxygen increases the effective electronegativity of the P atom, thereby enhancing pπ{\textendash}dπ back-donation from a lone-pair orbital of the S atom.
}, doi = {10.1107/S1600536807056127}, author = {Mague, Joel T. and Punji, Benudhar and Ganesamoorthy, Chelladurai and Balakrishna, Maravanji S.} } @article { ISI:000244106200013, title = {One step synthesis of chromium-containing periodic mesoporous organosilicas and their catalytic activity in the oxidation of cyclohexane}, journal = {Microporous and Mesoporous Materials}, volume = {99}, number = {3}, year = {2007}, month = {FEB}, pages = {334-344}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Chromium-containing ethane-bridged hybrid mesoporous materials (Cr-PMO) with uniform hexagonal arrangement were synthesized by two different synthesis routes using 1,2-bis(triethoxysilyl)ethane (BTEE) and tetraethyl orthosilicate (TEOS) as silica sources and alkyltrimethyl ammonium salts (ATMA) as surfactants. Powder X-ray diffraction, TEM, N-2 adsorption-desorption, FT-IR, in situ FT-Raman, UV-ViS, XPS, Si-29 MAS NMR and C-13 CP MAS NMR were used to probe the mesoporous structure and the nature of chromium sites in the hybrid catalyst matrix. PXRD, TEM and N-2 adsorption-desorption analysis showed that the original hexagonal structure of the materials is maintained after chromium substitution, while FT-Raman, UV-Vis and XPS analysis showed that chromium atoms exist in a highly dispersed state. The catalytic performance of the chromium-containing hybrid samples was tested in the liquid-phase oxidation of cyclohexane with aqueous hydrogen peroxide (H2O2) and non-aqueous tert-butylhydroperoxide (TBHP) as oxidants. The hybrid materials exhibited better catalytic activities and were more stable than the conventional Cr-MCM-41 catalyst. The higher catalytic activity of the new chromium-containing molecular sieves is attributed to the improved hydrophobicity of the materials and to the complementary structural features that facilitates the accessibility of cyclohexane to the active framework chromium sites. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {Cr-MCM-41, Cr-PMO, Cyclohexane, hybrid mesoporous materials, Oxidation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.09.029}, author = {Shylesh, S. and Srilakshmi, Ch. and Singh, A. P. and Anderson, B. G.} } @article {43290, title = {One-step preparation of alpha-chlorostyrenes}, journal = {Tetrahedron Letters}, volume = {48}, year = {2007}, month = {JUL}, pages = {4869-4872}, abstract = {alpha-Chlorostyrenes were prepared via a one-step method involving Friedel-Crafts reaction of various aromatic substrates with acid chlorides in the presence of a heterogeneous Si-Fe catalyst. (c) 2007 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2007.05.065}, author = {Borate, Hanumant B. and Galkwad, Abaji G. and Maujan, Suleman R. and Sawargave, Sangmeshwer P. and Kalal, Kamalakar M.} } @article { ISI:000250085300004, title = {One-step preparation of nanosized Ag-PdCo-powder and its alloy formation at low temperature}, journal = {Synthesis and Reactivity in Inorganic Metal-Organic and Nano-Metal Chemistry}, volume = {37}, number = {7}, year = {2007}, month = {SEP}, pages = {531-539}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Nano-sized silver-palladium co-powder has been synthesized from silver nitrate-palladium chloride by wet chemical method. The present experimental conditions are applied for the first time for Ag-Pd co-powders wherein sodium formaldehyde sulfoxylate (SFS) has been used as an external reducing agent to simultaneously reduce respective metal salts. SFS reduces the metal salts at room temperature thus prevents formation of bigger particles of the respective metals in co-powder. Powder X-ray diffraction measurements ( XRD) and Transmission electron microscopy ( TEM) suggest the formation of nano-sized Ag-Pd co-powder with particle diameter in the range of about 25 nm. SEM shows that the powder morphology changes with temperature. Heat treatment of 90: 10 (Ag:Pd) composition showed shift in XRD peaks indicating alloy formation of Ag/Pd at lower temperature. Thick-films generated by use of the co-powder resulted in Ag/Pd alloy at about 500 degrees C as confirmed by the XRD. Thermal analysis showed that Ag/Pd co-powders initially gain the weight due to oxidation followed by the weight loss.
}, keywords = {alloy, Chemical synthesis, nano-powder, noble metal, Transition Metal}, issn = {1553-3174}, doi = {10.1080/15533170701563707}, author = {Khanna, P. K. and Singh, N. and Kulkarni, D. and Marimuthu, R. and Charan, Shobhit and Patil, K. R. and Jain, G. H.} } @article { ISI:000250931100037, title = {One-step synthesis of SBA-15 containing tungsten oxide nanoclusters: a chemoselective catalyst for oxidation of sulfides to sulfoxides under ambient conditions}, journal = {Chemical Communications}, number = {45}, year = {2007}, month = {SEP}, pages = {4806-4808}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Tungsten oxide nanoclusters supported highly ordered mesoporous SBA-15 material has been successfully synthesized in a single step using a non-ionic surfactant as a template and used for the selective oxidation of sulfur compounds, giving excellent yields at room temperature with exceptional catalyst recyclability.
}, issn = {1359-7345}, doi = {10.1039/b709459k}, author = {Bordoloi, Ankur and Vinu, Ajayan and Halligudi, Shivaraj B.} } @article { ISI:000249771600036, title = {Organocatalytic activation of TMSCN by basic ammonium salts for efficient cyanation of aldehydes and imines}, journal = {Tetrahedron Letters}, volume = {48}, number = {40}, year = {2007}, month = {OCT}, pages = {7211-7214}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Basic ammonium salts act as highly effective catalysts for the cyanosilylation of aldehydes and in Strecker-type aminonitrile synthesis using TMSCN as cyanide source at 25 degrees C under extremely mild conditions, affording very good to excellent yields of silylated cyanohydrins and alpha-aminonitriles. (C) 2007 Published by Elsevier Ltd.
}, keywords = {aldehydes, aminonitriles, cyanohydrin, cyanosilylation, multicomponent reactions, TMSCN}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.07.188}, author = {Raj, I. Victor Paul and Suryavanshi, Gurunath and Sudalai, A.} } @article { ISI:000252092000023, title = {Organo-catalytic approach to the enantioselective synthesis of (R)-selegiline}, journal = {Tetrahedron}, volume = {63}, number = {39}, year = {2007}, month = {SEP}, pages = {9758-9763}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient enantioselective synthesis of (R)-selegiline has been achieved by two routes, via proline-catalyzed alpha-aminooxylation as well as alpha-amination of phenylpropanaldehyde as the key step. (c) 2007 Elsevier Ltd. All rights reserved.
}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.07.012}, author = {Talluri, Siva Kumar and Sudalai, Arumugam} } @article { ISI:000244735900014, title = {Organocatalytic sequential alpha-amination-horner-wadsworth-emmons olefination of aldehydes: enantioselective synthesis of gamma-amino-alpha,beta-unsaturated esters}, journal = {Organic Letters}, volume = {9}, number = {6}, year = {2007}, month = {MAR}, pages = {1001-1004}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A novel and highly enantioselective method for the synthesis of gamma-amino-alpha,beta-unsaturated esters via tandem alpha-amination-Horner-Wadsworth-Emmons (HWE) olefination of aldehydes is described. The one-pot assembly has been demonstrated for the construction of functionalized chiral 2-pyrrolidones, subunits present in several alkaloids.
}, issn = {1523-7060}, doi = {10.1021/ol063012j}, author = {Kotkar, Shriram P. and Chavan, Vilas B. and Sudalai, Arumugam} } @article {51}, title = {Organotin-oxometalate coordination polymer catalyzed oxyfunctionalization of monoterpenes}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {270}, number = {1-2}, year = {2007}, month = {JUN}, pages = {177-184}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, keywords = {Heck reaction, kinetics, Palladacycle}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.01.035}, author = {Bordoloi, Ankur and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000248918000008, title = {Oxidation of benzylic alcohols and sulfides over LaCoO3 and TBHP}, journal = {Arkivoc}, number = {1}, year = {2007}, month = {JAN}, pages = {70-75}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
A simple and efficient methodology has been described for the selective oxidation of secondary benzylic alcohols to the corresponding ketones. In contrast, primary benzylic alcohols afforded dimethyl acetals.
}, keywords = {acetals, benzylic alcohols, Oxidation, perovskite LaCoO3}, issn = {1551-7004}, author = {Patil, Mahesh L. and Maujan, Suleman R. and Borate, Hanumant B. and Uphade, Balu S.} } @article { ISI:000251200200017, title = {Oxyfunctionalisation of adamantane using inorganic-organic hybrid materials based on isopoly and heteropoly anions: kinetics and mechanistic studies}, journal = {Applied Catalysis A-General}, volume = {333}, number = {1}, year = {2007}, month = {DEC}, pages = {143-152}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{Oxyfunctionalisation of adamantane with 30\% aq.H2O2 in butyronitrile solvent was efficiently catalyzed by inorganic-organic hybrid materials synthesized by the immobilisation of isopoly (WOx = sodium tungstate
}, keywords = {adamantane, inorganic-organic hybrid materials, oxyfunctionalisation, vanadium (V) superoxo intermediate}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.09.025}, author = {Bordoloi, Ankur and Vinu, Ajayan and Halligudi, Shivaraj B.} } @article { ISI:000243163000068, title = {Oxy-methane reforming over high temperature stable NiCoMgCeOx and NiCoMgOx supported on zirconia-haffnia catalysts: accelerated sulfur deactivation and regeneration}, journal = {Catalysis Communications}, volume = {8}, number = {3}, year = {2007}, month = {MAR}, pages = {561-564}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
NiCoMgOx and NiCoMgCeOx on commercial low surface area zirconia-haffnia catalysts have unusually high thermal stability (\>= 2000 degrees C) for syngas generation via the methane partial oxidation process (J. Catal., 233, 36, 2005). Herein we report the results on accelerated sulfur deactivation (0.74 mol\% sulfur in feed) and corresponding regeneration (at 800 degrees C in 1:1 O-2 + N-2 flow) over these catalysts. The NiCoMgCeOx catalyst, due to a larger mobility of lattice oxygen, showed a considerably higher resistance to sulfur poisoning; the higher mobility of the lattice oxygen in case of the NiCoMgCeOx catalyst may be related to the presence of CeO2. During the deactivation process, the selectivity for H-2 was decreased to a much greater extent than that for CO. Regeneration studies showed that even after complete deactivation of the catalysts, the original activity/selectivity of both the catalysts could be completely restored after a simple regeneration process. Based on their exceptionally high thermal stability, high activity/selectivity and easily regenerability, the NiCoMOx, and NiCoMgCeOx catalysts appear to be very promising candidates for the CPOM process. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Deactivation, high temperature stable, methane, Partial oxidation, Regeneration, Sulfur}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.08.007}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Choudhary, Tushar V.} } @article { ISI:000251908500042, title = {Pathway to copolymer collapse in dilute solution: uniform versus random distribution of comonomers}, journal = {Journal of Chemical Physics}, volume = {127}, number = {23}, year = {2007}, month = {DEC}, pages = {234901}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Monte Carlo simulations show that copolymers with uniformly (or periodically) distributed sticky comonomers collapse {\textquoteleft}{\textquoteleft}cooperatively,{\textquoteright}{\textquoteright} abruptly forming a compact intermediate comprising a monomer shell surrounding a core of the aggregated comonomers. In comparison, random copolymers collapse through a relatively less-compact intermediate comprising a comonomer core surrounded by a fluffy monomer shell that densifies over a wide temperature range. This difference between the collapse pathways for random and uniform copolymers persists to higher chain lengths, where uniform copolymers tend to form multiple comonomer cores. In this paper, we describe the formation of such an intermediate state, and the subsequent collapse, by recognizing that these arise from the expected balance between comonomer aggregation enthalpy and loop formation entropy dictated by the chain microstructure. (c) 2007 American Institute of Physics.
}, issn = {0021-9606}, doi = {10.1063/1.2802296}, author = {Dasmahapatra, Ashok Kumar and Nanavati, Hemant and Kumaraswamy, Guruswamy} } @article {42571, title = {PET-SWNT nanocomposites through ultrasound assisted dissolution-evaporation}, journal = {European Polymer Journal}, volume = {43}, year = {2007}, month = {JUN}, pages = {2279-2285}, type = {Article}, abstract = {
Poly(ethylene terephthalate) (PET) based nanocomposites have been prepared with single walled carbon nanotubes (SWNTs) through an ultrasound assisted dissolution-evaporation method. Differential scanning calorimetry studies showed that SWNTs nucleate crystallization in PET at weight fractions as low as 0.3\%, as the nanocomposite melt crystallized during cooling at temperature 24 degrees C higher than neat PET of identical molecular weight. Isothermal crystallization studies also revealed that SWNTs significantly accelerate the crystallization process. Mechanical properties of the PET-SWNT nanocomposites improved as compared to neat PET indicating the effective reinforcement provided by nanotubes in the polymer matrix. Electrical conductivity measurements on the nanocomposite films showed that SWNTs at concentrations exceeding 1 wt\% in the PET matrix result in electrical percolation. Comparison of crystallization, conductivity and transmission electron microscopy studies revealed that ultrasound assisted dissolution-evaporation method enables more effective dispersion of SWNTs in the PET matrix as compared to the melt compounding method. (c) 2007 Elsevier Ltd. All rights reserved.
}, doi = {10.1016/j.eurpolymj.2007.03.020}, author = {Anoop, Anand K. and Agarwal, U. S. and Nisal, Anuya and Joseph, Rani} } @article { ISI:000251574400013, title = {Phosphine ligand and base-free, Pd-catalyzed oxidative cross-coupling reaction of arylboronic acids with arylmercuric acetates}, journal = {Arkivoc}, number = {14}, year = {2007}, month = {JAN}, pages = {126-133}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
Arylmercuric acetates have been found to undergo Suzuki type cross coupling reactions with arylboronic acids catalyzed by palladium salts in non-polar solvents under ambient conditions to give biaryl derivatives in high yields. The reaction is mild and does not require any organic or inorganic base nor a phosphine ligand.
}, keywords = {Arylboronic acid, arylmercuric acetate, palladium salts, Suzuki coupling}, issn = {1424-6376}, author = {Emmanuvel, Lourdusamy and Sudalai, Arumugam} } @article { ISI:000242960400008, title = {Phosphotungstic acid as an efficient solid catalyst for intramolecular rearrangement of benzyl phenyl ether to 2-benzyl phenol}, journal = {Catalysis Communications}, volume = {8}, number = {2}, year = {2007}, month = {FEB}, pages = {139-144}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
An heteropoly acid (phosphotungstic acid, PTA) was found to be a promising solid acid catalyst as an alternative to the conventional stoichiometric reagents for the rearrangement of benzyl phenyl ether giving 2-benzyl phenol as a major product and 4-benzyl phenol and dibenzylated phenols as side products. Catalyst was recovered from the reaction mixture and reused again without loss of activity. Based on the observed product distribution for various substrates a plausible catalytic reaction pathway has also been proposed. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {benzyl phenyl ether, Intramolecular rearrangement, Phosphotungstic acid}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.05.046}, author = {Bhure, Mahesh H. and Rode, Chandrashekhar V. and Chikate, Rajeev C. and Patwardhan, Neeraj and Patil, Shraddha} } @article { ISI:000245141300053, title = {Photodegradation of ethylene/propylene/polar monomers, Co-, and terpolymers. II. prepared by Ni catalyst systems}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {3}, year = {2007}, month = {MAY}, pages = {1783-1791}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
The copolymers of ethylene/propylene as well as their terpolymers with polar monomers were prepared by Ni-catalyst systems and their photodegradation behavior was studied by Fourier transform infrared spectroscopy. The polar monomers used to synthesize co- and terpolymers of ethylene/propylene/polar monomer were 5-hexen-1-ol, 10-undecen-1-ol, acrylamide, methylmethacrylate, acrylonitrile, and methylvinyl ketone. The morphological changes of the irradiated samples were determined by scanning electron microscopy. The photodegradation kinetics has also been studied. The surface damage caused by polychromatic irradiation (lambda \>= 290 nm) at 55 degrees C in atmospheric air is presented in different micrographs. The rate of photo-oxidative degradation is very fast in terpolymers containing polar monomers as compared with copolymers and homopolymers. The morphological study of the photodegraded samples showed a very good correlation with the photodegraded results. (c) 2007 Wiley Periodicals, Inc.
}, keywords = {copolymerization, Ethylene, Photodegradation, polar monomers, propylene}, issn = {0021-8995}, doi = {10.1002/app.25828}, author = {Fernandes, Susete N. and Correia, Sandra and Matos, Ines and Marques, Maria M. and Rana, Sravendra and Kumar, Bijandra and Gupta, M. K. and Singh, R. P.} } @article { ISI:000206190100007, title = {Photo-oxidation of EPDM/layered double hydroxides composites: influence of layered hydroxides and stabilizers}, journal = {Express Polymer Letters}, volume = {1}, number = {11}, year = {2007}, month = {NOV}, pages = {748-754}, publisher = {BUDAPEST UNIV TECHNOL \& ECON}, type = {Article}, address = {DEPT POLYMER ENG, MUEGYETEM RKP 3, BUDAPEST, H-1111, HUNGARY}, abstract = {
The photo-oxidation of ethylene propylene diene monomer (EPDM)/layered double hydroxide (LDH) composites as well as EPDM/LDH with stabilizers is studied under accelerated UV irradiation (lambda \>= 290 nm) at 60 degrees C for different time intervals. The development of functional groups during oxidation was monitored by FT-IR spectroscopy. The photo-degradation of the pristine polymer and composites take place and the increase in hydroxyl and carbonyl groups with irradiation times, was estimated. EPDM filled LDH showed higher degradation rate than pristine EPDM, while in acidic medium EPDM/LDH showed almost equal degradation as in isolated conditions. These results show the advantages of LDHs as a filler as well as an acid killer. The effect of stabilizers is very less because of their concentration in comparison of LDH.
}, keywords = {EPDM, layered double hydroxides, Photo-oxidation, polymer composites}, issn = {1788-618X}, doi = {10.3144/expresspolymlett.2007.103}, author = {Kumar, B. and Rana, S. and Singh, R. P.} } @article { ISI:000251014000004, title = {Photo-stabilization of EPDM-clay nanocomposites: effect of antioxidant on the preparation and durability}, journal = {Polymers for Advanced Technologies}, volume = {18}, number = {11}, year = {2007}, note = {International Conference on Frontier in Polymer Science and Technology, Calcutta, INDIA, FEB 10-12, 2006}, month = {NOV}, pages = {891-900}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
The present study is to examine the photo-stabilization effect of an antioxidant on the photo-oxidation of ethylene-propylene-diene monomer (EPDM)-clay nanocomposites. During the preparation of EPDM-clay nanocomposites via melt processing antioxidants are usually incorporated along with clay, which allows phenolic antioxidant molecules to get adsorbed onto acidic clay platelets and their interaction with metallic impurities reduces the stabilizing efficiency of the antioxidant. The nanocomposites were obtained by solution dispersion followed by melt compounding of EPDM and organophilic montmorillonite (OMMT). The samples were characterized by conventional tools such as X-ray diffraction (XRD), Fourier Transform Infra Red (FT-IR) spectroscopy, and thermo-gravimetric analysis (TGA). It was found, upon photo-irradiation (lambda \> 290 nm) studies by following the changes in functional groups and surface morphology, that photo-degradation was lowered by the antioxidant and the efficiency of the antioxidant could be improved by initial incorporation of antioxidant in the EPDM matrix. In EPDM-clay nanocomposites, a stabilizing activity of the antioxidant was observed above some threshold concentration of the antioxidant. The relationship between the nanoclay reinforcement and stabilizing efficiency in terms of photo-oxidation and surface morphology for their applicability are discussed. The methodology adopted for this study is also justified through our observation. Copyright (C) 2007 John Wiley \& Sons, Ltd.
}, keywords = {ethylene-propylene-diene monomer, nanocomposites photo-degradation antioxidant and stabilization}, issn = {1042-7147}, doi = {10.1002/pat.925}, author = {Lonkar, Sunil P. and Kumar, A. Pratheep and Singh, Raj Pal} } @article {64}, title = {Polyethylene waxes: catalytic synthesis by ti-biphenolates}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {44}, number = {7-9}, year = {2007}, month = {JUL}, pages = {977-987}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
{Soluble complexes of Ti (IV) bearing biphenol groups such as 1,1{\textquoteright}-binaphthelene 2, 2{\textquoteright} diol (Binol), 1, 1{\textquoteright}-methylene di-2-naphthol, biphenol were prepared and characterized. These catalyst precursors formulated as [
}, keywords = {fibers, Nanoparticles, Self-assembly}, issn = {0021-9797}, author = {Umare, Prashant S. and Rao, Karumanchi and Tembe, Gopal L. and Dhoble, Deepa Arun and Trivedi, Bhavna} } @article { ISI:000246552100042, title = {Poly(o-anisidine) films on mild steel: electrochemical synthesis and biosensor application}, journal = {Journal of Physics D-Applied Physics}, volume = {40}, number = {8}, year = {2007}, month = {APR}, pages = {2555-2562}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Poly(o-anisidine) (POA) films were synthesized on mild steel from an aqueous oxalic acid solution by electrochemical polymerization of o-anisidine using cyclic voltammetry. These films were characterized by cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared (FTIR) spectroscopy and scanning electron microscopy (SEM). The enzyme glucose oxidase (GOx) was entrapped into the POA film by a physical adsorption method. The resulting POA-GOx films were characterized by UV-visible absorption spectroscopy, FTIR and SEM. The amperometric response of the POA-GOx films was measured as a function of glucose concentration in phosphate buffer solution (pH 7.3). The POA-GOx films exhibited a fast amperometric response (1-5 s) and a linear response in the range of 2-20 mM glucose. The maximum current density and Michaelis-Menten constant of POA/GOx films were found to be similar to 406 mu A cm(-2) and 1.03 mM, respectively. The shelf stability, operational stability and thermal stability of these films were also investigated.
}, issn = {0022-3727}, doi = {10.1088/0022-3727/40/8/021}, author = {Patil, Dewyani and Gaikwad, A. B. and Patil, Pradip} } @article { ISI:000244210600007, title = {Poly(o-ethylaniline) coatings for stainless steel protection}, journal = {Progress In Organic Coatings}, volume = {58}, number = {1}, year = {2007}, month = {JAN}, pages = {54-63}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The poly(o-ethylaniline) coatings were electrochemically synthesized on 304-stainless steel by using cyclic voltammetry from an aqueous salicylate medium. Cyclic voltammetry, UV-vis absorption spectroscopy, Fourier transform infrared spectroscopy and scanning electron microscopy were used to characterize these coatings, which indicates that the aqueous salicylate solution is a suitable medium for the electrochemical polymerization of o-ethyaniline on 304-stainless steel. The performance of poly(o-ethylaniline) as protective coating against corrosion of 304-stainless steel in aqueous 3\% NaCl was evaluated by the open circuit potential measurements, potentiodynamic polarization technique, cyclic potentiodynamic polarization measurements and electrochemical impedance spectroscopy. The results of the potentiodynamic polarization and cyclic potentiodynamic polarization demonstrate that the poly(o-ethylaniline) coating provides excellent protection to both localized and general corrosion of 304-stainless steel. The corrosion potential was about 0.190 V more positive in aqueous 3\% NaCl for the poly(o-ethylaniline) coated steel than that of bare steel and reduces the corrosion rate of steel almost by a factor of 20. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Conducting polymer coatings, Corrosion resistant coatings, cyclic voltammetry, Electrochemical polymerization, poly(o-ethylaniline) coatings, stainless steel}, issn = {0300-9440}, doi = {10.1016/j.porgcoat.2006.12.001}, author = {Chaudhari, Sudeshna and Sainkar, S. R. and Patil, P. P.} } @article { ISI:000244257400014, title = {Practical and facile approach towards indole alkaloids: (-)-mitralactonine}, journal = {Synlett}, number = {1}, year = {2007}, month = {JAN}, pages = {79-82}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
An efficient approach to (-)-mitralactonine using Pictet-Spengler cyclisation with a highly functionalised masked aldehyde is described. Sharpless asymmetric dihydroxylation (SAD) is utilised to introduce chirality in the key substrate.
}, keywords = {alkaloids, asymmetric, cyclisations, dihydroxylations, thioacetats}, issn = {0936-5214}, doi = {10.1055/s-2006-958434}, author = {Chavan, Subhash P. and Sharma, Pallavi and Sivappa, Rasapalli and Kalkote, Uttam R.} } @article { ISI:000249627100033, title = {Practical formal synthesis of camptothecin}, journal = {Tetrahedron Letter}, volume = {48}, number = {37}, year = {2007}, month = {SEP}, pages = {6561-6563}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The synthesis of the DE ring of camptothecin using simple and inexpensive starting materials, employing an addition elimination reaction and selective esterification of an aliphatic carboxylic acid as key steps is described. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {alkaloid, Anticancer, camptothecin, Natural product}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.07.017}, author = {Chavan, Subhash P. and Pathak, Ashok B. and Kalkote, Uttam R.} } @article { ISI:000246298900004, title = {Practical formal synthesis of D-(+)-biotin from 4-formylazetidin-2-one}, journal = {Synthesis-Stuttgart}, number = {8}, year = {2007}, month = {APR}, pages = {1159-1164}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A practical synthesis of (3S,6R)-1,3-dibenzyltetrahydro-1H-furo[3,4-d]imidazole-2,4-dione, an important intermediate in the synthesis of biotin, from 4-formyl-3-mesyloxyazetidin-2-one has been achieved. Acid-catalyzed azetidin-2-one ring opening followed by a one-pot conversion of diamine hydrochloride to a cyclic urea and hydroxymethylene to chloromethylene by triphosgene to obtain (4S,5R)-methyl-1,3-dibenzyl-5-chloromethyl-2-oxoimidazolidine-4-carboxyl ate is the key step in this synthesis.
}, keywords = {azetidin-2-one, beta-Lactams, cyclization, Lactone, reduction}, issn = {0039-7881}, doi = {10.1055/s-2007-965992}, author = {Kale, Ajaykumar S. and Puranik, Vedavati G. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000252029800002, title = {Practical synthesis of (+/-)-venlafaxine}, journal = {Synthetic Communications}, volume = {37}, number = {22-24}, year = {2007}, month = {NOV}, pages = {3901-3906}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A practical total synthesis of antidepressant (+/-)-venlafaxine is disclosed.
}, keywords = {antidepressant, Grignard reaction, Michael addition}, issn = {0039-7911}, doi = {10.1080/00397910701572266}, author = {Chavan, Subhash P. and Khobragade, Dushant A. and Thakkar, Mahesh and Kalkote, Uttam R.} } @article { ISI:000251244900001, title = {Preface: CAMURE-6 \& ISMR-5 symposium in Pune, India}, journal = {Industrial \& Engineering Chemical Research}, volume = {46}, number = {25}, year = {2007}, month = {DEC}, pages = {8291}, publisher = {AMER CHEMICAL SOC}, type = {Article, Editorial Material}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0888-5885}, doi = {10.1021/ie078009y}, author = {Chaudhari, Raghunath V. and Ranade, Vivek V.} } @article { ISI:000247943800041, title = {Preparation and evaluation of cellulose acetate butyrate and poly(ethylene oxide) blend microspheres for gastroretentive floating delivery of repaglinide}, journal = {Journal of Applied Polymer Science}, volume = {105}, number = {5}, year = {2007}, month = {SEP}, pages = {2764-2771}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
In this study, hollow microspheres of cellulose acetate butyrate (CAB) and poly(ethylene oxide) (PEO) were prepared by emulsion-solvent evaporation method. Repaglinide was successfully encapsulated into floating microspheres. Various formulations were prepared by varying the ratio of CAB and PEO, drug loading and concentration of poly(vinyl alcohol) (PVA) solution. Encapsulation of the drug up to 95\% was achieved. The microspheres tend to float over the simulated gastric media for more than 10 h. The micromeritic properties of microspheres reveal the excellent flow and good packing properties. The \% buoyancy of microspheres was found to be up to 87. SEM showed that microspheres have many pores on their surfaces. Particle size ranges from 159 to 601 mu m. DSC and X-RD revealed the amorphous dispersion in the polymer matrix. In vitro release experiments were performed in simulated gastric fluid. In vitro release studies indicated the dependence of release rate on the extent of drug loading and the amount of PEO in the microspheres; slow release was extended up to 12 h. The release data were fitted to an empirical equation to compute the diffusional exponent (n), which indicated that the release mechanism followed the non-Fickian trend. (C) 2007 Wiley Periodicals, Inc.
}, keywords = {cellulose acetate butyrate, Controlled release, floating drug delivery, microspheres, repaglinide}, issn = {0021-8995}, doi = {10.1002/app.26456}, author = {Rokhade, Ajit P. and Patil, Sangamesh A. and Belhekar, Anagha A. and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article { ISI:000248145100016, title = {Preparation of enantiopure trans-1,2-cyclohexanediol and trans-2-aminocyclohexanol}, journal = {Synthetic Communications}, volume = {37}, number = {10}, year = {2007}, month = {MAY}, pages = {1727-1733}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Trans-1,2-cyclohexanediol and trans-2-aminocycloxexanol are useful chiral auxiliaries. Simple chemical resolution procedures for these molecules are presented.
}, keywords = {chemical resolution, chiral auxiliaries, epoxide-cleavage}, issn = {0039-7911}, doi = {10.1080/00397910701266075}, author = {Chatterjee, A. and Sasikumar, M. and Joshi, Navalkishore N.} } @article { ISI:000246260000011, title = {Preparation of nanocrystalline ferroelectric CaBi4Ti4O15 by citrate gel method}, journal = {Ceramics International}, volume = {33}, number = {4}, year = {2007}, month = {JAN}, pages = {569-571}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A gel was formed when an aqueous solution of CaCl2, BiNO3, TiOCl2 and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 700 degrees C produced nano crystallites of the ternary oxide, CaBi4Ti4O15 (CBT). The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). The room temperature dielectric constant at 1 kHz is 390. The ferroelectric hysteresis loop parameters of these samples were also studied by a home-built Sawyer-tower circuit. (c) 2006 Elsevier Ltd and Techna Group S.H. All rights reserved.
}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2005.11.006}, author = {Murugan, A. Vadivel and Gaikwad, A. B. and Samuel, V. and Ravi, V.} } @article { ISI:000249921800011, title = {Production and partial characterization of two types of phytase from aspergillus niger NCIM 563 under submerged fermentation conditions}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {23}, number = {11}, year = {2007}, month = {NOV}, pages = {1585-1593}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Novel extracellular phytase was produced by Aspergillus niger NCIM 563 under submerged fermentation conditions at 30 degrees C in medium containing dextrin and glucose as carbon sources along with sodium nitrate as nitrogen source. Maximum phytase activity (41.47 IU/mL at pH 2.5 and 10.71 IU/mL at pH 4.0) was obtained when dextrin was used as carbon source along with glucose and sodium nitrate as nitrogen source. Nearly 13 times increase in phytase activity was observed when phosphate in the form of KH2PO4 (0.004 g/100 mL) was added in the fermentation medium. Physic-chemical properties of partially purified enzyme indicate the possibility of two distinct forms of phytases, Phy I and Phy II. Optimum pH and temperature for Phy I was 2.5 and 60 degrees C while Phy II was 4.0 and 60 degrees C, respectively. Phy I was stable in the pH range 1.5-3.5 while Phy II was stable in the wider pH range, 2.0-7.0. Molecular weight of Phy I and Phy II on Sephacryl S-200 was approximately 304 kDa and 183 kDa, respectively. Phy I activity was moderately stimulated in the presence of 1 mM Mg2+, Mn2+, Ca2+ and Fe3+ ions and inhibited by Zn2+ and Cd2+ ions while Phy II activity was moderately stimulated by Fe3+ ions and was inhibited by Hg2+, Mn2+ and Zn2+ ions at 1 mM concentration in reaction mixture. The Km for Phy I and II was 3.18 and 0.514 mM while Vmax was 331.16 and 59.47 mu mols/min/mg protein, respectively.
}, keywords = {Aspergillus niger, Phytase, phytate degradation, Poultry feed supplement, Submerged fermentation}, issn = {0959-3993}, doi = {10.1007/s11274-007-9404-9}, author = {Soni, Sarvesh Kumar and Khire, Jayant Malhar} } @article { ISI:000249627100034, title = {Propargyl 1,2-orthoesters as glycosyl donors: stereoselective synthesis of 1,2-trans glycosides and disaccharides}, journal = {Tetrahedron Letters}, volume = {48}, number = {37}, year = {2007}, month = {SEP}, pages = {6564-6568}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Propargyl 1,2-orthoesters are identified as glycosyl donors. Various glycosides and disaccharides were synthesized in a stereoselective manner using AuBr3 as the promoter. AuBr3 may activate the alkyne resulting in the formation of a 1,2-dioxolenium ion and also behaves as a Lewis acid to facilitate the attack of the glycosyl acceptor. The versatility of the protocol was demonstrated using a panel of aglycones comprising aliphatic, alicyclic, steroidal and sugar alcohols. (C) 2007 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.07.015}, author = {Sureshkumar, Gopalsamy and Hotha, Srinivas} } @article { ISI:000245563300037, title = {Protecting group directed ring-closing metathesis (RCM): the first total synthesis of an anti-malarial nonenolide}, journal = {Tetrahedron Letters}, volume = {48}, number = {14}, year = {2007}, month = {APR}, pages = {2621-2625}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The first synthesis of a newly found naturally occurring anti-malarial nonenolide is described. A pivotal step in the synthesis is the ring-closing metathesis of a dienoic ester prepared by coupling an acid and alcohol that were stereoselectively synthesized from (S)-alpha-hydroxy-gamma-butyrolactone and 1,2-O-isopropylidene D-glyceraldchyde, respectively. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {1, 2-O-isopropylidene, anti-malarial agent, D-glyceraldehyde, Nonenolide, Ring-closing metathesis, Yamaguchi esterification}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.02.040}, author = {Mohapatra, Debendra K. and Ramesh, Dhondi K. and Giardello, Michael A. and Chorghade, Mukund S. and Gurjar, Mukund K. and Grubbs, Robert H.} } @article { ISI:000243572800014, title = {Purification and characterization of a lectin from endophytic fungus fusarium solani having complex sugar specificity}, journal = {Archives of Biochemistry and Biophysics }, volume = {457}, number = {2}, year = {2007}, month = {JAN}, pages = {243-251}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
A lectin from the mycelial extract of an endophytic strain of Fusarium solani was purified. Its hemagglutinating activity was inhibited by glycoproteins possessing N-linked as well as O-linked glycans. The thermodynamics and kinetics of binding of glycans and glycoproteins to F. solani lectin Was Studied using SUH ace plasmon resonance. The lectin showed high affinity for asialofetuin, asia-lofibrinogen, asialofibrinogen, and thyroglobulin: and comparatively low affinity for mucin, fetuin, fibrinogen, and holotransferrin. Glycoproteins showed glycans with significant contribution from enthalpy and positive entropy, suggesting several fold higher affinity than their corresponding g the involvement of non-polar protein-protein interaction. Moreover, the higher affinity of the glycoproteins was due to their faster association rates and low activation energy. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {endophytic fungus, Fusarium solani, Lectin, Purification, SPR, Thermodynamic properties}, issn = {0003-9861}, doi = {10.1016/j.abb.2006.10.019}, author = {Khan, Feroz and Ahmad, Absar and Khan, Mohammad Islam} } @article { ISI:000244292900012, title = {Purification by silica gel chromatography using dialysis tubing and characterization of sophorolipids produced from Candida bombicola grown on glucose and arachidonic acid}, journal = {Biotechnology Letters}, volume = {29}, number = {2}, year = {2007}, month = {FEB}, pages = {267-272}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The yeast Candida bombicola (ATCC 22214) grown on primary carbon source glucose (100 g l(-1)) and secondary carbon, arachidonic acid (2 g l(-1)) produced mixture of sophorolipids up to 1.44 g l(-1). The crude product was a heterogeneous mixture of sophorolipids, which are glycolipids of sophorose linked to the fatty acid through glycosidic bond between omega and omega-1 carbon of arachidonic acid. The derived sophorolipids were isolated by silica gel chromatography using dialysis tubing. The purified sophorolipids were characterized by ESI-MS and FT-IR. Acid hydrolysis of the resolved sophorolipids were characterized by ESI-MS for the presence of 20-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid (20-HETE) and 19-hydroxy-5Z,8Z,11Z,14Z-eico-satetraenoic acid (19-HETE), compounds of pronounced pharmaceutical importance.
}, keywords = {19-HETE, 20-HETE, arachidonic acid, electrospray soft ionization mass spectroscopy, silica gel chromatography, Sophorolipid}, issn = {0141-5492}, doi = {10.1007/s10529-006-9221-5}, author = {Shah, Sachin and Prabhune, Asmita} } @article { ISI:000244979700010, title = {Quick method for isolating RNA from raw and ripe fleshy fruits as well as for co-isolating DNA and RNA from polysaccharide- and polyphenol-rich leaf tissues}, journal = {Journal of Plant Biology}, volume = {50}, number = {1}, year = {2007}, month = {FEB}, pages = {60-64}, publisher = {BOTANICAL SOCIETY OF KOREA}, type = {Article}, address = {CATHOLIC UNIV KOREA, DEPT LIFE SCIENCES, PUCHON 420-743, SOUTH KOREA}, abstract = {
Qualitative and quantitative changes in its chemical composition make it difficult to use any single procedure for isolating good-quality RNA from fruits at various ripening stages. Although the CTAB method has eliminated some specific problems, e.g., low pH in raw fruit or high levels of polysaccharides, oligosaccharides and phenolics in raw and ripe fruits, the total time required is long and unsuitable for high throughput. Here, we successfully modified this CTAB protocol to isolate good-quality RNA from (i) fleshy fruits, especially raw and ripe mangos; (ii) the leaves of a succulent air plant; and (iii) an oligosaccharide-rich onion epidermis. This RNA proved useful for downstream transcriptomic applications, where RT-PCR followed by RACE yielded the complete open reading frame of the (mango) terpene synthase gene. We also extended the utility of this protocol to co-isolate good-quality genomic DNA from the supernatant that remained after RNA precipitation. This preparation was useful for the arbitrary primer multilocus amplification of genomic DNA as well as for single locus diversity marker amplifications of the ctDNA and mtDNA.
}, keywords = {DNA-RNA co-isolation, fleshy fruit, Mango, oligosaccharide-rich, Ripening, transcriptomic studies}, issn = {1226-9239}, author = {Pandit, Sagar Subhash and Mitra, Sirsha Sribas and Giri, Ashok P. and Gupta, Vidya Shrikant} } @article { ISI:000242960400016, title = {Rate enhancement in palladium catalyzed Heck reactions by Lewis acid promoters}, journal = {Catalysis Communications}, volume = {8}, number = {2}, year = {2007}, month = {FEB}, pages = {183-186}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Significant enhancement in the rate of Heck reactions has been achieved when catalytic amounts of Lewis acid (like FeCl(3)) promoters in the presence of trace amounts of water (\> 2000 ppm) are used along with Pd complex catalysts. Experiments with different aryl halides, bases as well as olefins have been carried out to demonstrate the role of Lewis acid promoters. The increase in the reaction rates is due to the weakening of Ar-X bond by the Lewis acid in the manner similar to Friedel-Crafts reaction. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Heck reaction, Lewis acid, Palladium, Promoters}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.05.043}, author = {Sud, Abhishek and Deshpande, Raj Madhukar and Chaudhari, Raghunath V.} } @article {42462, title = {Reaction of huisgen zwitterion with diaryl-1,2-diones and ketones: an efficient protocol for carbon-nitrogen bond formation}, journal = {Synthesis-Stuttgart}, year = {2007}, month = {JAN}, pages = {697-704}, type = {Article}, abstract = {
The reaction of Huisgen zwitterion, derived from triphenylphosphine and dialkyl azodicarboxylate, with diaryl-1,2-diones afforded N,N-dicarboalkoxy monohydrazones via a mechanistically novel rearrangement. Cyclic and acyclic ketones furnished vinyl hydrazinedicarboxylates under similar conditions.
}, keywords = {betaines - diazo compounds - hydrazones - ketones - rearrangements}, doi = {10.1055/s-2007-965910}, author = {Nair, Vijay and Biju, Akkattu T. and Mathew, Smitha C.} } @article {42466, title = {Reaction of tpp-azodicarboxylate zwitterions and aldehydes: unprecedented synthesis of acyl carbamates}, journal = {Tetrahedron Letters}, volume = {48}, year = {2007}, month = {OCT}, pages = {9018{\textendash}9020}, type = {Article}, abstract = {
An efficient synthesis of acyl carbamates from aryl aldehydes by the reaction of triphenylphosphine and dialkyl azoesters is described.
}, doi = {10.1016/j.tetlet.2007.10.092}, author = {Nair, Vijay and Mathew, Smitha C. and Biju, Akkattu T. and Eringathodi, Suresh} } @article {Mueller, title = {Reactions of o-aminothiophenol and o-aminophenyl disulfide with itaconic anhydride and (-)-dimenthyl itaconate: access to enantiomerically pure 1,5-benzothiazepines and benzothiazolyl-2-methylacrylic acid}, journal = {Synthesis-Stuttgart}, number = {3}, year = {2007}, month = {FEB}, pages = {457-463}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
{A facile chemo- and regioselective reactions of o-aminothiophenol (o-ATP) with itaconic anhydride is described. 1,5-Benzothiazepinyl-3-acetic acid is obtained in 81\% yield via the exclusive Michael type addition of the thiol unit from o-ATP to the carbon-carbon double bond in itaconic anhydride followed by an intramolecular anhydride ring opening with an amine unit. The moderately stereoselective Michael type addition of the thiol unit from o-ATP to (-)-dimenthyl itaconate to obtain a mixture of diastereomers in a 7:3 ratio in 82\% yield has been demonstrated. The reductive sulfur-sulfur bond cleavage in the dicarboxylic acid, 2({2-[2-(3-carboxybut-3-enoylamino)phenyidisulfanyl]phenylcarbamoyl\
}, keywords = {Magnetic nanoparticles, magnetic properties, spin glasses}, issn = {0936-5214}, doi = {10.1055/s-2006-958977}, author = {Baag, Md. Merajuddin and Sahoo, Manoj Kumar and Puranik, Vedavati G. and N. P. Argade} } @article { ISI:000245961800014, title = {Reduction of oxygen by hydroxylammonium salt or hydroxylamine over supported Au nanoparticles for in situ generation of hydrogen peroxide in aqueous or non-aqueous medium}, journal = {Catalysis Communications}, volume = {8}, number = {5}, year = {2007}, month = {MAY}, pages = {811-816}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Reaction of O-2 with hydroxylamine or its salts over a number of supported gold catalysts containing An nanoparticles (at 10-70 degrees C) has been studied at atmospheric pressure for the in situ generation of H2O2 (required for organic oxidation reactions in the synthesis of fine/specialty chemicals) in aqueous (water) or non-aqueous medium. Hydrogen peroxide in high yields with harmless by-products (viz. water and nitrogen) can be generated in situ by the reduction Of O-2 by hydroxylammonium sulfate (or chloride) or hydroxylamine using the supported gold catalysts particularly Au/Gd2O3, Au/La2O3 and Au/MgO, in aqueous (water) or non-aqueous (viz. methanol) medium at close to ambient conditions. The reduction of O-2 by hydroxylammonium salt to H2O2, however, requires preneutralization of the salt by alkali; in the absence of the neutralization, only water is formed in the reaction. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Au Nanoparticles, Au/Gd2O3, Au/La2O3, Au/MgO, Hydrogen peroxide, hydroxylamine, hydroxylammonium salts, in situ H2O2 generation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.08.041}, author = {Choudhary, Vasant R. and Jana, Prabhas and Bhargava, Suresh Kumar} } @article { ISI:000249864300018, title = {Regio- and stereoselective synthesis of beta-amino alcohols over titanosilicate molecular sieves}, journal = {Applied Catalysis A-General}, volume = {330}, year = {2007}, month = {OCT}, pages = {145-151}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A novel application of titanosilicate molecular sieves in the synthesis of P-amino alcohols via aminolysis of epoxides, at mild and solvent-free conditions, is reported, for the first time. A range of beta-amino alcohols with nearly 100\% regio- and stereoselectivity was produced over these reusable solid catalysts in high yields. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Aminolysis of epoxides, synthesis of beta-amino alcohols, Ti-MCM-41, titanosilicate molecular sieves}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.07.019}, author = {Satyarthi, Jitendra K. and Saikia, Lakshi and Srinivas, Darbha and Ratnasamy, P.} } @conference {42803, title = {Removal of AS(III) and AS (V) from contaminated water sources by sorption onto novel pei-attached poly(hipe) beads", paper presented at international conference on ?role of analytical chemistry in nuclear technology?}, booktitle = {Role of Analytical Chemistry in Nuclear Technology}, year = {2007}, month = {DEC}, address = {BARC, Mumbai, India}, author = {Ingavle, Ganesh C. and Tayal, Rajeev and Shaikh, Wasif Abdul Lateef and Chaudhari, Sanjeev and Chavan, Nayaku and Rajan, Chelanattukizhakkemadath Raman and Ponrathnam, Surendra} } @article {42612, title = {Rheology of surface granular flows}, journal = {Journal of Fluid Mechanics}, volume = {571}, year = {2007}, month = {JAN}, pages = {1-32}, type = {Article}, abstract = {
Surface granular flow, comprising granular material flowing on the surface of a heap of the same material, occurs in several industrial and natural systems. The rheology of such a flow was investigated by means of measurements of velocity and number-density profiles in a quasi-two-dimensional rotating cylinder, half-filled with a model granular material {\textendash} monosize spherical stainless-steel particles. The measurements were made at the centre of the cylinder, where the flow is fully developed, using streakline photography and image analysis. The stress profile was computed from the number-density profile using a force balance which takes into account wall friction. Mean-velocity and root-mean-square (r.m.s.)-velocity profiles are reported for different particle sizes and cylinder rotation speeds. The profiles for the mean velocity superimpose when distance is scaled by the particle diameter d and velocity by a characteristic shear rate and the particle diameter, where βm is the maximum dynamic angle of repose and βs is the static angle of repose. The maximum dynamic angle of repose is found to vary with the local flow rate. The scaling is also found to work for the r.m.s. velocity profiles. The mean velocity is found to decay exponentially with depth in the bed, with decay length λ = 1.1d. The r.m.s. velocity shows similar behaviour but with λ = 1.7d. The r.m.s. velocity profile shows two regimes: near the free surface the r.m.s. velocity is nearly constant and below a transition point it decays linearly with depth. The shear rate, obtained by numerical differentiation of the velocity profile, is not constant anywhere in the layer and has a maximum which occurs at the same depth as the transition in the r.m.s. velocity profile. Above the transition point the velocity distributions are Gaussian and below the transition point the velocity distributions gradually approach a Poisson distribution. The shear stress increases roughly linearly with depth. The variation in the apparent viscosity η with r.m.s. velocity u shows a relatively sharp transition at the shear-rate maximum, and in the region below this point the apparent viscosity η \~{} u-1.5. The measurements indicate that the flow comprises two layers: an upper low-viscosity layer with a nearly constant r.m.s. velocity and a lower layer of increasing viscosity with a decreasing r.m.s. velocity. The thickness of the upper layer depends on the local flow rate and is independent of particle diameter while the reverse is found to hold for the lower-layer thickness. The experimental data is compared with the predictions of three models for granular flow.
}, doi = {10.1017/S002211200600320X}, author = {Orpe, Ashish V. and Khakhar, Devang V.} } @article { ISI:000245142600008, title = {Rh(II)-catalyzed intramolecular N-H insertion of D-glucose-derived delta-amino alpha-diazo beta-ketoester: Synthesis of pyrrolidine iminosugars}, journal = {Synlett}, number = {4}, year = {2007}, month = {MAR}, pages = {559-562}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
The rhodium acetate catalyzed reaction of D-glucose-derived delta-amino alpha-diazo beta-ketoester allows a stereoselective beta-facial intramolecular N-H insertion reaction that leads to formation of the bicyclic pyrrolidinone ring skeleton in high yield. The sugar-substituted pyrrolidinone thus obtained was elaborated to allow the synthesis of promising glycosidase inhibitors, namely, 2,5-dideoxy2,5-imino-L-glycero-alpha-D-galactoheptitol and 2,5-dideoxy-2,5-imino-D-galactitol.
}, keywords = {alkaloids, azasugars, carbohydrates, N-H insertion, Pyrrolidines, rhodium carbenoid}, issn = {0936-5214}, doi = {10.1055/s-2007-970743}, author = {Vyavahare, Vinod P. and Chattopadhyay, Subrata and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000250278300038, title = {Role of ionic diffusion in polymer gel mediated growth (PMG) technique for the synthesis of nanoparticulate fillers}, journal = {Materials Chemistry and Physics}, volume = {105}, number = {2-3}, year = {2007}, month = {OCT}, pages = {348-353}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Polymer mediated growth (PMG), which forms an important method for synthesis of nanoparticles, has one of the ions bound by polymer matrix while the other is allowed to diffuse and react to form desired compound. The exact role of ionic diffusion in the formation of nanoparticles has been investigated by taking specific case studies. Typically calcium carbonate, calcium phosphate and calcium sulfate have been formed in nano-size by PMG route using polyacrylamide gel. The extent of cross-linking of the polymer matrix in the formation of gel, affects the diffusivity of ions into polymer matrix and the size of particles formed. The rates of diffusion for different extents of cross-linking of polymer are estimated during the synthesis of nanoparticles using Fick{\textquoteright}s law. The inter-correlation between the particle size formation and the diffusion length has been clearly brought out in these studies. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {ionic diffusion, nanoparticulate fillers, polymeric gels}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2007.04.071}, author = {Sonawane, Pradip S. and Biradar, Santoshkumar S. and Radhakrishnan, S. and Kulkarni, B. D.} } @article { ISI:000246492900025, title = {Rotary Cement Kiln Simulator (RoCKS): integrated modeling of pre-heater, calciner, kiln and clinker cooler}, journal = {Chemical Engineering Science}, volume = {62}, number = {9}, year = {2007}, month = {MAY}, pages = {2590-2607}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
This paper presents an integrated reaction engineering based mathematical model for clinker formation in cement industry. Separate models for pre-heater, calciner, rotary kiln and cooler were initially developed and coupled together to build an integrated simulator. Appropriate models for simulating gas-solid contact and heat transfer in pre-heaters were developed. Calciner was modeled by considering simultaneous combustion of coal particles and calcination of raw meal. Complex heat transfer and reactions (solid-solid, gas-solid and homogeneous reactions in gas phase) in rotary kiln were modeled using three sub-models coupled to each other. Solid-solid reactions in the bed region of the kiln were modeled using pseudo-homogeneous approximation. Melting of solids in the bed and formation of coating within the kiln were accounted. Clinker cooler was simulated by developing a two-dimensional model to capture cross-flow heat transfer between air and hot clinkers. The individual models were coupled with each other via mass and energy communication through common boundaries. The coupled model equations were solved iteratively. The model predictions agree well with the observations and experience from cement industry. The model was used to gain better understanding of influence of operating conditions on energy consumption in cement plant. Several ways for reducing energy consumption were computationally investigated. The integrated model, the developed software RoCKS (for Rotary Cement Kiln Simulator) and results presented here will be useful for enhancing our understanding and for enhancing the performance of clinker manufacturing. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {cement, energy consumption, reaction engineering model}, issn = {0009-2509}, doi = {10.1016/j.ces.2007.01.063}, author = {Mujumdar, Kaustubh S. and Ganesh, K. V. and Kulkarni, Sarita B. and Ranade, Vivek V.} } @article { ISI:000244183400009, title = {[SbW9O33]-based polyoxometalate combined with a phase transfer catalyst: A highly effective catalyst system for selective oxidation of alcohols with H2O2, and spectroscopic investigation}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {262}, number = {1-2}, year = {2007}, month = {FEB}, pages = {52-58}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Na-9[SbW9O33] in conjunction with a phase transfer catalyst, methyltricapryl ammonium chloride, is highly efficient for selective oxidation of variety of alcohols with aq. H2O2 to yield corresponding carbonyls. Most importantly the reactions are carried out in the absence of any organic solvents especially halogenated solvents. In case of allylic alcohols, the catalyst is highly selective for the alcohol oxidation reaction and least selective for epoxidation reaction in the presence of aq. H2O2. IR studies support the formation of W-peroxo intermediate species and also support the stability of the catalyst in the presence of phase transfer compound under the present experimental condition. The catalyst can be reused after careful decomposition of peroxide of the final reaction mixture. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {Alcohol, Aq.H2O2, Nag[SbW9O33], Oxidation, Phase transfer catalyst, Polyoxometalate, polyoxotungstate}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.08.050}, author = {Ingle, Rohit H. and Raj, N. K. Kala and Manikandan, Palanichamy} } @article { ISI:000245500200046, title = {Scanning tunneling microscopy/spectroscopy on Au nanoparticles assembled using lauryl amine (LAM) and octadecane thiol (ODT)}, journal = {Applied Surface Science}, volume = {253}, number = {11}, year = {2007}, month = {MAR}, pages = {5109-5115}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In this report, we demonstrate scanning tunneling microscopy and spectroscopy on thin filins of lauryl amine (LAM) and octadecane thiol (ODT) protected gold nanoparticles. We show that the zero current in the I-V curves (measure of Coulomb blockade (CB) of the nanoparticles) depends on the properties of the spacer molecule. In both the cases the gap voltage and the tunneling current at which the images are obtained are quite different which is further confirmed from the fitting performed based on the orthodox theory. The values for the capacitance and charging energy obtained from the fitting for ODT capped particles are comparable to the values obtained using spherical capacitor model. In contrast, values of these parameters were found to differ for LAM capped nanoparticles. While imaging, ODT capped nanoparticles were observed to drag along the scan direction leading to ordering of particles. Images of LAM capped gold nanoparticles show local ordering in self-assembly of particles although no evidence of large scale ordering in spatial Fourier transform was seen. These observations suggest that nanoparticles with larger CB would be intaged nonevasively in contrast to small CB systems for which tip induced effects will be dominant. In both the systems the current was found to rise faster than theoretical curves based on the orthodox theory suggesting that mechanism of charge transfer in this case may involve field emission rather than tunneling through a rectangular barrier. An attempt has been made to explain charge transfer based on Fowler-Nordheim (F-N) plots of the I-V curves. (c) 2006 Elsevier B.V All rights reserved.
}, keywords = {Nanostructures, scanning tunneling microscopy (STM)}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2006.11.038}, author = {Datar, Suwarna and Chaudhary, Minakshi V. and Sastry, Murali and Dharmadhikari, C. V.} } @article { ISI:000245534900008, title = {Selective mono-N-methylation of aniline substrates on Cu1-xZnxFe2O4}, journal = {Applied Catalysis A-General}, volume = {320}, year = {2007}, month = {MAR}, pages = {64-68}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Selective mono-N-methylation of substituted anilines (o-, m- and p-toluidines, 2,6-xylidine, p-anisidine and p-aminoacetophenone) was carried out with methanol as methylating agent under vapor phase reaction conditions on Cu1-xZnxFe2O4 systems. The catalytic reactions with each aniline substrate were carried out at optimum reaction conditions (MeOH:anilines:water = 3: 1: 1, space velocity = 3.58 h(-1)) between 543 and 603 K. The presence of a ring-directing group did not have any significant influence on the N-methylaniline(s) selectivity, which remains very high; the same initial conversion/yield was observed for at least 11 h. Electronic effects due to different groups in the above aniline substrates influence the reactivity of the substrates in terms of conversion and yield. Toluidine reactivity varies with respect to the position (ortho, meta and para) of the methyl group on the phenyl ring. Para-substituted anilines (p-toluidine and p-anisidine) exhibit comparable catalytic activity, while p-aminoacetophenone shows higher conversion. The perpendicular orientation of toluidine substrates on catalyst surfaces influences the conversion and N-methyltoluidine yield. Increased crowding at ortho-position and hence steric hindrance (aniline \> o-toluidine \> 2,6-xylidine) restrict the substrates interaction with the catalyst surface, and 2,6-xylidine shows no reactivity. The best catalytic activity observed with Cu0.5Zn0.5Fe2O4 was due to a heterogeneous distribution of metal ions on the surface with Zn serving as active spacer group as well as methyl species source. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {mono-N-methylation, N-methylaniline, N-methylation, selective N-methvlation, spinel}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.12.016}, author = {Vijayaraj, Munusamy and Gopinath, Chinnakonda S.} } @article {36}, title = {Selective oxidation of anthracene using inorganic-organic hybrid materials based on molybdovanadophosphoric acids}, journal = {Journal of Catalysis}, volume = {247}, number = {2}, year = {2007}, month = {APR}, pages = {166-175}, publisher = {EUROPEAN POLYMER FEDERATION}, type = {Article}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {
{Inorganic-organic hybrid materials were synthesized by immobilization of molybdovanadophosphoric acids onto mesoporous silicas, such as MCM-41, MCM-48, and SBA-15, through an organic linker. 12-Molybdovanadophosphoric acids of the general formula H3+xPMO12-xVxO40 (x = 0-3).nH(2)O, such as H-4[
}, keywords = {EPDM, Photostabilization, polymeric HALS}, issn = {1618-7229}, doi = {10.1016/j.jcat.2007.01.020}, author = {Bordoloi, Ankur and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000247606200011, title = {Semi-synthesis of deoxyartemisinin}, journal = {Mendeleev Communications}, volume = {17}, number = {1}, year = {2007}, month = {JAN}, pages = {27-28}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The reaction of artemisinin with aluminium-nickel chloride hexahydrate in THF or nickel boride in MeOH furnishes deoxyartemisinin in an excellent yield.
}, issn = {0959-9436}, doi = {10.1016/j.mencom.2007.01.011}, author = {Bhattacharya, Asish K. and Pathak, Ashish K. and Sharma, Ram P.} } @article { ISI:000254309400007, title = {Shape resonance in electron molecule scattering using coupled cluster method}, journal = {Indian Journal of Physics and Proceedings of the Indian Association for the Cultivation of Science}, volume = {81}, number = {10}, year = {2007}, month = {OCT}, pages = {1061-1067}, publisher = {INDIAN ASSOC CULTIVATION SCIENCE}, type = {Article}, address = {INDIAN J PHYSICS, JADAVPUR, KOLKATA 700 032, INDIA}, abstract = {
The Fock space multi-reference coupled-cluster (FSMRCC) method along with the complex absorbing potential (CAP) is used for the study of the shape resonance energy and width in an electron molecule collision. We study the shape resonances in e(-) -H2CO and e(-) -CO.
}, keywords = {electron-molecule scattering, multi-reference coupled-cluster}, issn = {0973-1458}, author = {Pal, Sourav and Vaval, Nayana and Sajeev, Y.} } @article { ISI:000252029800038, title = {Short and efficient synthesis of rubrolide E}, journal = {Synthetic Communications}, volume = {37}, number = {22-24}, year = {2007}, month = {DEC}, pages = {4253-4263}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Short and efficient synthesis of rubrolide E from commercially available 4-methoxyacetophenone, employing ring-closing metathesis, Knoevenagel condensation, and Reformatsky reactions, are the key steps are described.
}, keywords = {antibiotics, antitumor, Epoxide, Natural products, Total synthesis}, issn = {0039-7911}, doi = {10.1080/00397910701575665}, author = {Chavan, Subhash P. and Pathak, Ashok B. and Pandey, Ankur and Kalkote, Uttam R.} } @article { ISI:000250545100010, title = {Short and efficient synthetic strategy for the total syntheses of (S)-(+)- and (R)-(-)-Plakolide A}, journal = {European Journal of Organic Chemistry}, number = {30}, year = {2007}, month = {OCT}, pages = {5059-5063}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Concise and efficient total syntheses of anticancer agents (S)(+)-Plakolide A and (R)-(-)-Plakolide A were accomplished in eight steps and an overall yield of 39 \% starting from geraniol. The key steps in our strategy are Sharpless asymmetric epoxidation, double elimination, and Stille coupling reactions.
}, keywords = {Cross-coupling, epoxidation, inhibitors, olefination}, issn = {1434-193X}, doi = {10.1002/ejoc.200700401}, author = {Mohapatra, Debendra K. and Pramanik, Chintnoy and Chorghade, Mukund S. and Gurjar, Mukund K.} } @article {17}, title = {Short synthesis of (+)-harzialactone A and (R)-(+)-4-hexanolide via proline-catalyzed sequential alpha-aminooxylation and horner-wadsworth-emmons olefination of aldehydes}, journal = {Tetrahedron-Asymmetry}, volume = {18}, number = {16}, year = {2007}, month = {AUG}, pages = {1795-1798}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
{In melts, ring polymers assume more compact conformations compared to linear chains with the same degree of polymerization N-r, i.e. R-r similar to N-r(nu) with nu approximate to 0.4, where R-r is the radius of gyration. Upon gradually substituting some of the ring polymers with linear chains, the ring molecules swell. In the limit of infinite dilution, their size scales as R-r similar to N-r(0.5). We present a scaling argument based on the blob model to capture this transition. Ring-linear blends are modeled as a semidilute solution of ring polymers in a theta-solvent consisting of linear chains. The model predicts that the size of the ring polymer remains unchanged up to the overlap concentration c(r)(*
}, keywords = {core-shell nanoparticles, Gold, HRTEM, interfacial seeded growth, Silver, XPS}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2007.07.031}, author = {Kotkar, Shriram P. and Suryavanshi, Gurunath S. and Sudalai, Arumugarn} } @article { ISI:000246832500007, title = {Simple and efficient approach to 1,3-aminoalcohols: application to the synthesis of (+)-negamycin}, journal = {Tetrahedron Letter}, volume = {48}, number = {22}, year = {2007}, month = {MAY}, pages = {3793-3796}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short and practical enantioselective synthesis of (+)-negamycin has been achieved in high enantio- and diastereomeric excess using an iterative Jacobsen{\textquoteright}s hydrolytic kinetic resolution as the key step. (C) 2007 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.03.169}, author = {Naidu, S. Vasudeva and Kumar, Pradeep} } @article { ISI:000243365800018, title = {Simple and efficient synthesis of thysanone methyl ether}, journal = {Tetrahedron}, volume = {63}, number = {1}, year = {2007}, month = {JAN}, pages = {166-170}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The synthesis of thysanone methyl ether is achieved by employing semivioxanthin methyl ether, which in turn is prepared by the tandem Michael addition of an anion of orsellinate to a substituted dihydropyrone. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {human pathogen, Michael addition, orsellinate derivative, semivioxanthin}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.10.038}, author = {Bulbule, Vivek J. and Koranne, Priti S. and Deshpande, Vishnu H. and Borate, Hanumant B.} } @article { ISI:000246532500010, title = {Simulation of viscoelastic flows of polymer solutions in abrupt contractions using an arbitrary lagrangian eulerian (ALE) based finite element method}, journal = {Journal of Non-Newtonian Fluid Mechanics}, volume = {143}, number = {2-3}, year = {2007}, month = {MAY}, pages = {157-169}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We present a method for simulation of viscoelastic flows using an Arbitrary Lagrangian Eulerian (ALE) technique based finite element formulation. The ALE technique provides advantages of both Lagrangian and Eulerian frameworks by allowing the computational mesh to move in an arbitrary manner, independent of the material motion. In the present method, a fractional step ALE technique is employed in which the Lagrangian phase of material motion and convection arising out of mesh motion are decoupled. In the first step the relevant flow and constitutive equations are solved in Lagrangian framework. The simpler representation of polymer constitutive equations in a Lagrangian framework avoids the difficulties associated with convective terms thereby resulting in a robust numerical formulation. In the second step the mesh is moved in ALE mode and the associated convection of the stress is performed using a Godunov type scheme. This ALE technique is easy to implement and can accurately simulate the complex viscoelastic behaviour of transient polymer flow through complex geometries. In the present study, steady flows through abrupt contractions of planar and axisymmetric geometries are studied by performing transient flow simulations until steady state is achieved. The proposed method is validated with previously published numerical and experimental studies for polymer solutions obeying the Oldroyd B and Phan Thien Tanner (PTT) models. The simulated corner and lip vortex enhancement mechanism and flow behavior are in good agreement with experimentally obtained flow visualization photographs. The strength of the proposed method lies in its ability to simulate free surface flows such as swell. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {abrupt contraction, Arbitrary Lagrangian Eulerian, finite element, simulations}, issn = {0377-0257}, doi = {10.1016/j.jnnfm.2007.02.009}, author = {Ganvir, Vivek and Lele, Ashish K. and Thaokar, Rochish and Gautham, Basavarsu P.} } @article { ISI:000243095400015, title = {Singlejet fluidized beds: experiments and CFD simulations with glass and polypropylene particles}, journal = {Chemical Engineering Science}, volume = {62}, number = {1-2}, year = {2007}, month = {JAN}, pages = {167-183}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Understanding hydrodynamics of bubbling fluidized beds is crucial in proper design and scale up of these beds. CFD models have shown promise in gaining this understanding. In order to generate confidence in CFD models, predicted time averaged and dynamical characteristics of the bubbling fluidized beds need to be validated against experimental data. This paper describes such studies with rectangular fluidized beds operated with a central jet. Digital image analysis and analysis of wall pressure fluctuations were used for this characterization. Fluidization of two types of particles, glass and polypropylene (PP) was studied at two different initial bed heights of H/D = 1 and 2 with three central jet velocities 5, 10 and 20 m/s. Time averaged as well as dynamical characteristics were studied. The Eulerian-Eulerian two fluid model based on kinetic theory of granular flows was used to simulate these experiments. The predicted results were compared with the experimental data and previously published correlations. Although, there is agreement with experimental data in some aspects, complete agreement was not found. The presented experimental data and comparison with CFD predictions will provide useful basis for further work on understanding bubbling fluidized beds. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {CFD, fluidized beds, hydrodynamics, image analysis, pressure fluctuations, single jet}, issn = {0009-2509}, doi = {10.1016/j.ces.2006.08.037}, author = {Utikar, Ranjeet P. and Ranade, Vivek V.} } @article { ISI:000246157500021, title = {Solid-state structures of 4-carboxyphenylboronic acid and its hydrates}, journal = {Crystal Growth \& Design}, volume = {7}, number = {5}, year = {2007}, month = {MAY}, pages = {944-949}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Solid-state structures of 4-carboxyphenylboronic acid (1a) and its mono- and quarter-hydrates (1b and 1c, respectively) obtained by crystallization from different solvents, acetone, methanol, and 2-proponal, respectively, have been reported. In the anhydrous and monohydrate structures (1a and 1b), the H-atoms on the -B(OH)(2) functional group exist in syn-syn conformation, but syn-anti conformation was found in the quarter-hydrate structure. While 1a and 1b crystallize through interactions between -B(OH)(2) and -COOH groups (heteromeric), homomeric interactions of the functional groups (COOH center dot center dot center dot COOH and B(OH)(2)center dot center dot center dot B(OH)(2)) were observed in 1c. In addition, although similar interactions prevail in 1a and 1b, the latter crystallizes in a noncentrosymmetric space group Ccc2, registering itself as a unique structure with unusual catenation features with the aid of water molecules. However, 1a and 1c show many common features in the molecular arrangement in the crystal lattices with the formation of sheet structures.
}, issn = {1528-7483}, doi = {10.1021/cg060860c}, author = {SeethaLekshmi, Nanappan and Pedireddi, Venkateswara Rao} } @article { ISI:000244666100011, title = {Solvent-free selective oxidation of benzyl alcohol by molecular oxygen over uranium oxide supported nano-gold catalyst for the production of chlorine-free benzaldehyde}, journal = {Green Chemistry}, volume = {9}, number = {3}, year = {2007}, month = {JAN}, pages = {267-272}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A detailed investigation on the production of chlorine-free benzaldehyde in the solvent-free oxidation of benzyl alcohol by O-2 over nano-gold supported on U3O8 has been carried out. Influence of different catalyst parameters (different methods of gold deposition on U3O8, gold loading and particle size, and catalyst calcination temperature) and reaction conditions (reaction period and temperature) on the process performance has been studied. The catalyst containing gold at higher concentration and with smaller gold particles showed the better process performance (higher benzyl alcohol conversion and benzaldehyde yield or selectivity). The benzyl alcohol conversion is largely increased but the selectivity for benzaldehyde is slightly decreased (while that of benzyl benzoate is increased) with increasing the reaction period or temperature. In the presence of solvent (viz. tolune, p-xylene, DMF or DMSO), the process performance was found to be inferior to that observed in the absence of any solvent. Substituted benzyl alcohols also can be oxidized by O-2 to corresponding aldehydes with high yield and/or selectivity, using the catalyst in the absence of any solvent.
}, issn = {1463-9262}, doi = {10.1039/b608304h}, author = {Choudhary, Vasant R. and Jha, Rani and Jana, Prabhas} } @article { ISI:000250399300023, title = {Spectroscopic and catalytic properties of SBA-15 molecular sieves functionalized with acidic and basic moieties}, journal = {Microporous and Mesoporous Materials}, volume = {105}, number = {1-2}, year = {2007}, month = {SEP}, pages = {170-180}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
SBA-15, grafted with Lewis acidic Ti4+ ions and basic amines (imidazole, guanine or adenine) exhibited high catalytic activity in the cycloaddition of CO2 to epoxides yielding selectively cyclic carbonate precursors of polycarbonates. In the second class of materials, the surface of SBA-15 was grafted with thiol or sulfonic acid functionalities. Mn(Salen)Cl was, then, covalently bound to these acidic groups. The resulting catalysts show enhanced chemo-, regio- and stereo-selective catalytic activity in the epoxidation of terpenes such as R-(+)limonene, alpha-pinene and Delta-carene with molecular oxygen. The acid-base properties of these modified SBA- 15 materials were investigated by temperature-programmed desorption and diffuse-reflectance infrared Fourier transform spectroscopy. Ammonia and pyridine were used as probe molecules for acidic sites and CO2 for basic sites. Acidic Ti sites activated epoxides and the grafted basic amines activated CO2. The simultaneous presence of both acidic and basic sites on amine/adenine-functionalized Ti-SBA-15 enabled synergistic enhancement in catalytic activity in the cycloaddition reaction of CO2 to epoxides. When Mn(Salen)Cl was immobilized on thiol or sulfonic acid-functionalized SBA-15, the oxidation state of Mn decreased from +3 to +2. The organo-acidic functional groups (thiol or sulfonic acid) axialk, coordinated to Mn ions modified the electronic structure of Mn ions enhancing the activity and selectivity of Mn(Salen) complexes in aerial oxidation reactions. (C) 2007 Elsevier Inc. All rights reserved.
}, keywords = {aerial oxidation of terpenes, CO2 utilization, cyclic carbonates synthesis, epoxidation, functionalization with acidic and basic moieties, immobilization of Mn complexes, organo-functionalization of SBA-15, solid acid-base catalysts}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.05.024}, author = {Srinivas, D. and Ratnasamy, P.} } @article { ISI:000244909500021, title = {Spider silk as an active scaffold in the assembly of gold nanoparticles and application of the gold-silk bioconjugate in vapor sensing}, journal = {Small}, volume = {3}, number = {3}, year = {2007}, month = {MAR}, pages = {466-473}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Spider silk is being viewed with interest by materials scientists due to its excellent resilience and mechanical properties. In this paper we show that spider silk is an excellent scaffold for the one-step synthesis and assembly of gold nanoparticles. Formation of a gold nanoparticle-spider-silk bioconjugate material is accomplished by simple reaction of the fibers with aqueous chloroauric acid. The gold nanoparticles thus formed are strongly bound to the spider-silk fiber surface enabling study of the electrical properties of the nano bioconjugate. Using the well-known contraction/expansion behavior of the fibers in solvents of varying polarity, we show that exposure of the gold nanoparticle-spider silk bioconjugate to vapors of methanol and chloroform leads to changes in electrical transport through the nanoparticles and thus, the possibility of developing a vapor sensor. The bioconjugate shows excellent response time and cycling efficiency to methanol vapors. The activation energy of electron transport from one gold nanoparticle to another in the nanobiocojugate was determined from temperature-dependent electron-transport measurements to be approximately 1.7 eV.
}, keywords = {bioconjugates, Gold, Nanoparticles, sensors, spider silk}, issn = {1613-6810}, doi = {10.1002/smll.200600413}, author = {Singh, Amit and Hede, Shantesh and Sastry, Murali} } @article { ISI:000244413600017, title = {Spinning wave motion in frontal polymerization}, journal = {Chemical Engineering Science}, volume = {62}, number = {5}, year = {2007}, month = {MAR}, pages = {1448-1455}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We present a mathematical model describing dynamics of spinning waves which propagate during frontal polymerization reaction taking place in a cylindrical reactor tube. The self-organization of spatio-temporal solution of wave equations due to interplay between thermal diffusion and kinetics gives rise to pattern formation. We begin with a fundamental equation of motion of radial coordinate after defining an asymptotic phase for spinmode. The motion is analyzed near a critical (Hopf) point and a perturbation solution is used to obtain patterns for a case of preparation of poly(2-hydroxyethyl methacrylate) (PHEMA) via frontal polymerization reaction. The model uses the distance as seen in photograph taken using scanning electron microscope (SEM) from which motion begins around core of spiral and calculates pitch of spiral which matches closely with experimental observation in micrograph. Also the model predicts qualitatively the ramp wave and spiral wave motion as observed under SEM. Both these results are reported in open literature for the first time to our best knowledge. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {frontal polymerization, spinning wave, spiral motion, wave dynamics}, issn = {0009-2509}, doi = {10.1016/j.ces.2006.11.037}, author = {Inamdar, Satish R. and Pujari, N. S. and Karimi, I. A. and Ponrathnam, S. and Tayal, R. K. and Kulkarni, B. D.} } @article {34}, title = {Stabilization of gamma-sterilized biomedical polyolefins by synergistic mixtures of oligomeric stabilizers. part II. polypropylene matrix}, journal = {Polymer Degradation and Stability}, volume = {92}, number = {2}, year = {2007}, month = {FEB}, pages = {299-309}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, author = {Alariqi, Sameh A. S. and Kumar, A. Pratheep and Rao, B. S. M. and Singh, R. P.} } @article { ISI:000251217800008, title = {Stereoselective hydrogenation of tert-butylphenols over charcoal-supported rhodium catalyst in supercritical carbon dioxide solvent}, journal = {Journal of Catalysis}, volume = {252}, number = {1}, year = {2007}, month = {NOV}, pages = {57-68}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Hydrogenation of 2-, 3-, and 4-tert-butylphenols was studied over a charcoal- supported rhodium catalyst in supercritical carbon dioxide (scCO(2)) solvent, and the results were compared with those in organic solvents. In the hydrogenation of 4-tert-butylphenol, a higher cis ratio for 4-tert-butylcyclohexanol (0.79) was obtained in scCO(2) (10 MPa) than in 2-propanol (0.70) and cyclohexane (0.64) under similar conditions of hydrogen pressure (2 MPa) and temperature (313 K). In the case of 2-tert-butylphenol, the cis ratio for 2-tert-butylcyclohexanol was as high as 0.95 in both scCO(2) and 2-propanol (hydrogen pressure, 2 MPa; reaction temperature, 313 K). In the case of hydrogenation of 3-tert-butylphenol, the cis ratio decreased with the progression of consecutive hydrogenation of 3-tert-butylcyclohexanone intermediate. In addition, the stereoselectivity to cis-tert-butylcyclohexanols in scCO(2) was improved in the presence of hydrochloric acid. It was found that the protons of hydrochloric acid accelerated the hydrogenation of the intermediates, tert-butylcyclohexanones, to the corresponding cis-tert-butylcyclohexanols. The hydrogenation mechanism of tert-butylphenols, particularly the enhanced selectivity to cis-tert-butylcyclohexanols in scCO(2), is postulated based on the observed reaction profiles. (c) 2007 Elsevier Inc. All rights reserved.
}, keywords = {charcoal-supported rhodium catalyst, stereoselective hydrogenation, supercritical carbon dioxide solvent, tert-butylcyclohexanol}, issn = {0021-9517}, doi = {10.1016/j.jcat.2007.08.01}, author = {Hiyoshi, Norihito and Rode, Chandrashekhar V. and Sato, Osamu and Tetsuka, Hiroyuki and Shirai, Masayuki} } @article {42464, title = {Stereoselective synthesis of 3,4-trans-disubstituted γ-lactams by cerium(iv) ammonium nitrate mediated radical cyclization of cinnamamides}, journal = {Synthesis-Stuttgart}, year = {2007}, month = {MAR}, pages = {1179-1184}, type = {Article}, abstract = {
A facile synthesis of 3,4-trans-disubstituted γ-lactams was developed, consisting of the radical cyclization of cinnam-amides mediated by cerium(IV) ammonium nitrate. The single-electron-transfer (SET) reaction of the methoxystyrenyl moiety mediated by cerium(IV) ammonium nitrate gives rise to a cation radical, whose cyclization followed by reaction with oxygen and methanol generates 3,4-trans-disubstituted γ-lactams.
}, keywords = {cerium(IV) ammonium nitrate - intramolecular cyclization - cinnamamides - single electron transfer - γ-lactams}, doi = {10.1055/s-2007-965981}, author = {Nair, Vijay and Mohanan, Kishor and Suja, Tachapully D. and Biju, Akkattu T.} } @article { ISI:000244732800019, title = {Stereoselective synthesis of 3-alkylidene/alkylazetidin-2-ones from azetidin-2,3-diones}, journal = {Tetrahedron}, volume = {63}, number = {11}, year = {2007}, month = {MAR}, pages = {2524-2534}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Azetidin-2,3-diones have been used as synthons for the synthesis of C-3 alkylidene/alkylazetidin-2-ones. Some of the 3-alkylazetidin-2-ones are well known for their cholesterol absorption inhibitor activity. A regio and stereoselective Grignard reaction on a keto group followed by dehydration using PPh3/CCl4 reagent is a key step in this synthesis. Hydrogenation of the 3-alkylideneazetidin-2-ones provided stereoselectively cis-3-alkylazetidin-2-ones in very good yields. (c) 2006 Published by Elsevier Ltd.
}, keywords = {3-diones, azetidin-2, azetidin-2-ones, beta-lactam, Grignard reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.12.010}, author = {Tiwari, Dharmendra Kumar and Shaikh, Ashif Y. and Pavase, Laxmikant S. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000252091800019, title = {Stereoselective synthesis of spiro-beta-lactams using D-(+)-glucose derived chiral pool: remarkable influence of the torquoelectronic effect}, journal = {Tetrahedron}, volume = {63}, number = {37}, year = {2007}, month = {SEP}, pages = {9179-9187}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Diastereoselective synthesis of spiro-beta-lactams via [2+2] cycloaddition reaction of imines and chiral ketenes is described. The chiral ketene was prepared from commercially available, inexpensive D-glucose. Although, theoretically four diastereomers are possible, the reaction yielded only two diastereomers stereoselectively in good to moderate yields. The stereochemical outcome of the reaction was in accordance with the torquoelectronic model. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {imines, ketenes, spiro-beta-lactams, Staudinger reaction, stereoselective synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.06.073}, author = {Chincholkar, Pinak M. and Puranik, Vedavati G. and Deshmukh, A. R. A. S.} } @article {42817, title = {Steric control in pd-mediated cycloisomerization of sugar alkynols: documentation of a rare allylic epimerization}, journal = {Tetrahedron Letters}, volume = {48}, year = {2007}, month = {JUL}, pages = {4771-4774}, type = {Article}, abstract = {
Pd-mediated cycloisomerization of C3-alkynylated glucofuranosyl derivatives revealed a dominance of steric factors over electronic factors. However, the intermediate glycals were epimerized prior to the ketalization and afforded the more stable cis-fused bicyclic ketals. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Bis-Homopropargylic Alcohols; Oriented Organic-Synthesis;Nucleophilic-Attack; Room-Temperature; Palladium; Chemistry; Heterocycles;Complexes; Transformations; Sonogashira}, doi = {10.1016/j.tetlet.2007.04.133}, author = {Ramana, Chepuri V. and Patel, Pitarnbar and Gonnade, Rajesh G.} } @article { ISI:000244820500020, title = {Strain improvement of penicillium janthinellum ncim 1171 for increased cellulase production}, journal = {Bioresource Technology}, volume = {98}, number = {7}, year = {2007}, month = {MAY}, pages = {1467-1473}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The strain of Penicilhuinjanthinellunt NOM 1171 was subjected to mutation involving treatment of Ethyl Methyl Sulfonate (EMS) for 24 h followed by UV-irradiation for 3 min. Successive mutants showed enhanced cellulase production (EMS-UV-8), clearance zone on Avicel containing plate (SM2) and rapid growth on Walseth cellulose agar plates containing 0.2\% 2-deoxy-D-glucose (SM3). These mutants were transferred to Walseth cellulose plates containing higher concentration (1.5\%) of 2-deoxy-D-glucose (SM4) in which only five mutants showed clearance zone on SM4. All these mutants showed approximately two-fold increase in activity of both FPase and CMCase in shake flask culture when grown on basal medium containing CP-123 (1\%) and wheat bran (2.5\%). The enzyme preparations from these mutants were used to hydrolyze Avicel. Higher hydrolysis yields of Avicel were obtained with enzyme preparations of EU1. This is the first report on the isolation and selection of mutants based on hydrolysis of Avicel, which is the most crystalline substrate. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {2-deoxy-D-glucose resistant mutants, cellulase activity, EMS and ultraviolet mutation, Penicillium janthinellum}, issn = {0960-8524}, doi = {10.1016/j.biortech.2006.02.036}, author = {Adsul, Mukund G. and Bastawade, Kulbhushan B. and Varma, Anjanikumar and Gokhale, D. V.} } @article { ISI:000243821700012, title = {Structural evolutions of hydrothermally prepared mesostructured MCM-48 silica using differently manufactured amorphous silica powders}, journal = {Journal of Non-Crystalline Solids}, volume = {353}, number = {2}, year = {2007}, month = {FEB}, pages = {194-199}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The hydrothermal synthesis of Si-MCM-48 mesoporous molecular sieves was carried out using a ternary SiO2:CTAOH:H2O System wherein differently manufactured amorphous silica powders such as fumed silica (FMDS), spray dried precipitated silica (SDPS) and flash dried precipitated silica (FDPS) were used as silica source materials. The changes in structural/textural properties were evaluated using powder XRD, N-2 adsorption-desorption and scanning electron microscopy techniques. Studies on the progressive development of MCM-48 mesophases revealed that, the reactivity of the silica source follow the trend: FMDS \> SDPS \> FDPS. MCM-48 synthesized using low cost FDPS has exhibited thicker pore walls but poorer orderness, while MCM-48 prepared from relatively expensive FMDS has thinner pore walls and more ordered structure. Moreover, the extent of contraction caused by calcinations, agglomerate size and structural stability were found to depend on the reactivity of the silica source used. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {long-range order, micelles, scanning electron microscopy, silica, silicates, sol-gels (xerogels), X-ray diffraction}, issn = {0022-3093}, doi = {10.1016/j.jnoncrysol.2006.10.005}, author = {Taralkar, U. S. and Jha, Ratnesh Kumar and Joshi, P. N.} } @article {42594, title = {Structure control for fine tuning fluorescence emission from side-chain azobenzene polymers}, journal = {Journal of Physical Chemistry B}, volume = {111}, year = {2007}, month = {MAY}, pages = {6364{\textendash}6373}, type = {Article}, abstract = {
New fluorescent azobenzene dyes and side-chain polymers have been synthesized and characterized and their photophysical properties studied. A series of azobenzene dyes having different fluorophores such as phenol (S1), phenylphenol (S2) and naphthol (S3) incorporated in them were synthesized. S2 had unusually high fluorescence with a quantum yield of φf = 0.2 recorded in dichloromethane (DCM), whereas S1 and S3 were found to be weakly fluorescent. The azobenzene dyes were converted into methacrylate monomers having short ethyleneoxy spacers and then free radically polymerized. Phenylphenol-based azobenzene polymer (P2) continued to show fluorescence, whereas fluorescence was completely quenched in the case of phenol (P1)- and naphthol (P3)-based polymers. Phenylphenol, though twisted in the ground state is known to have a more planar geometry in the excited statea factor that enables it to retain its fluorescence behavior even when it is incorporated as part of an azobenzene unit. In contrast, naphthol, which is a better fluorophore compared to phenylphenol, loses much of its emissive behavior upon coupling to the azobenzene unit. The extent of trans to cis photoisomerization in solution was very low (\~{}17\%) for P2 after 30 min of continuous irradiation using 365 nm light, in contrast to \~{} 40\% for P1 under identical conditions. This is attributed to the steric repulsion brought about by the bulky phenylphenol units that restrict rotation. A 2-fold enhancement in fluorescence emission was observed for P2 upon irradiation by UV light at 360 nm, which relaxed to the original intensity in about 7 day{\textquoteright}s time. The higher emission of the cis azobenzenes is generally attributed to an inhibition of photoinduced electron transfer (PET) mechanism. The emission of P2 showed a concentration dependence which increased initially and then decreased in intensity with the formation of a new red-shifted peak at higher concentration due to aggregation. Irradiation of the fluorescence quenched highly concentrated (1 {\texttimes} 10-3 M) sample of P2 showed an enhancement in emission from aggregates at 532 nm.
}, doi = {10.1021/jp071303j}, author = {Smitha, P. and Asha, S. K.} } @article { ISI:000247546800008, title = {Structure-editing of nucleic acids for selective targeting of RNA}, journal = {Current Topics in Medicinal Chemistry}, volume = {7}, number = {7}, year = {2007}, month = {JAN}, pages = {715-726}, publisher = {BENTHAM SCIENCE PUBL LTD}, type = {Article}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
The synthesis of backbone-modified nucleic acids has been an area of very intense research over the last two decades. The main reason for this research activity is the instability of nucleic acid based drugs in the intracellular conditions. Changes in the sugar-phosphate backbone invariably bring about the changes in the complementation properties of the nucleic acids. The naturally occurring deoxyribose- (DNA) and ribose (RNA) sugar-phosphate backbones are endowed with considerable differences in their binding affinities towards themselves. This occurs because of the different sugar conformations prevalent in DNA and RNA and the subtle structural changes accruing from these in hydrogen bonding, base-stacking interactions and hydration of major/minor grooves. The six-atom phosphodiester linkages and pentose-sugars give immense opportunities for chemical modifications that lead to several backbone-modified nucleic acid structures. This article is focused on such modifications that impart RNA-selective binding properties to the modified nucleic acid mimics and the rationale behind the said selectivity. It is found that the six-atom sugar-phosphate backbone could be replaced by either one-atom extended or one-atom edited repeating units, leading to the folded or extended geometries to maintain the internucleoside distance-complementarity. Other important contributions come from electronegativity of the substituent groups, hydration in the major/minor groove, base stacking etc.
}, issn = {1568-0266}, doi = {10.2174/156802607780487722}, author = {Kumar, Vaijayanti A. and Ganesh, Krishna N.} } @article { ISI:000244765100003, title = {Studies on gas sensing performance of pure and modified barium strontium titanate thick film resistors}, journal = {Bulletin of Materials Science}, volume = {30}, number = {1}, year = {2007}, month = {FEB}, pages = {9-17}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Barium strontium titanate ((Ba0.87Sr0.13)TiO3-BST) ceramic powder was prepared by mechanochemical process. The thick films of different thicknesses of BST were prepared by screen-printing technique and gas-sensing performance of these films was tested for various gases. The films showed highest response and selectivity to ammonia gas. The effect of film thickness on gas response was also studied. As prepared BST thick films were surface modified by dipping them into an aqueous solution of titanium chloride (TiCl3) for different intervals of time. Surface modification shifted response to H2S gas suppressing the responses to ammonia and other gases. The surface modification, using dipping process, altered the adsorbate-adsorbent interactions, which gave the unusual sensitivity and selectivity effect. Sensitivity, selectivity, thermal stability, response and recovery time of the sensor were measured and presented.
}, keywords = {(Ba0.87Sr0.13)TiO3 thick films, ammonia gas sensor, II2S gas sensor, selectivity, sensitivity}, issn = {0250-4707}, doi = {10.1007/s12034-007-0003-z}, author = {Jain, G. H. and Patil, L. A. and Patil, P. P. and Mulik, Uttam P. and Patil, K. R.} } @article { ISI:000244145600014, title = {Sugar-linked biodegradable polymers: regio-specific ester bonds of glucose hydroxyls in their reaction with maleic anhydride functionalized polystyrene and elucidation of the polymer structures formed}, journal = {Carbohydrate Polymers}, volume = {67}, number = {4}, year = {2007}, month = {FEB}, pages = {576-585}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
In the development of sugar-linked synthetic polymers as biodegradable polymers, it is imperative to know the variety of polymer structures formed by the reaction of a multi-functional sugar molecule with the functionalized synthetic polymer on which the sugar is to be anchored. Enzymes produced by the microorganisms causing the polymer to biodegrade can be sensitive to the particular type of sugar hydroxyl utilized (such as anomeric, primary, or secondary hydroxyl group) for getting anchored to the polymer. In this paper, we present synthesis of regio-specific ester derivatives of glucose with anhydride, functionalized polymers, i.e., ester formation specifically with the anomeric, primary or secondary hydroxyls of glucose. Characterization of these different esters groups was done using FTIR spectroscopy; each ester peak was further deconvoluted to yield its different components. For this purpose, we studied the reactions of D-glucose, 6-O-trityl glucose, methyl glucoside, 1,2-5,6-diisopropylidene-D-glucose, and 1,2,3,4-tetraacetyl-D-glucose with maleic anhydride functionalized polystyrene (PSMAH). In this study, the primary hydroxyl of glucose was found to be even more reactive than the anomeric hydroxyl. The peaks at similar to 1716, similar to 1725, and 1729-1737 cm(-1) were assigned to the ester carbonyl of the anomeric, primary, and secondary hydroxyls of glucose (C2, C3, and C4), respectively. An attempt was made to quantify the extent to which the different polymer structures are formed in a particular reaction by taking ratios of non-variable reference peaks (polystyrene peak at 1493 cm-1) and variable peaks caused by the reaction (the residual anhydride carbonyl at 1780 cm(-1)). (c) 2007 Published by Elsevier Ltd.
}, keywords = {Biodegradable polymers, functionalized synthetic polymer, glucose, regio-specific, sugar-linked polystyrene}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2006.06.035}, author = {Galgali, P. and Agashe, M. and Varma, Anjanikumar} } @article { ISI:000246066000033, title = {Sulfonamide- and hydrazine-based palladium catalysts: stable and efficient catalysts for C-C coupling reactions in aqueous medium}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {269}, number = {1-2}, year = {2007}, month = {MAY}, pages = {218-224}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Syntheses of a novel family of sulfonamide-based palladium complexes and phenylhydrazine-based palladacycles are described. These catalysts are thermally stable, and not sensitive to air and moisture and some are completely soluble in water. These catalysts have shown excellent activity (good yields and high turnover numbers) and product selectivity in several arylation reactions including Suzuki, Heck, and Sonogashira reactions carried out totally under aqueous conditions. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {arylation reaction, Heck reaction, palladium catalyst, Sonogashira reaction, Suzuki coupling reaction}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.12.023}, author = {Kumar, N. S. C. Ramesh and Raj, I. Victor Paul and Sudalai, A.} } @article { ISI:000249091400025, title = {Sulfonic acid functionalized mesoporous silicas and organosilicas: synthesis, characterization and catalytic applications}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {274}, number = {1-2}, year = {2007}, month = {SEP}, pages = {153-158}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Ethane bridged mesoporous organosilicas and MCM-41 having sulfonic acid groups in the pore channels were prepared by co-condensation method as well as grafting method, using 3-mercaptopropyltriethoxysilane (3-MPTS) as the sulfur precursor. TEM and N-2 sorption isotherm analysis revealed that the mesoporous structural ordering is retained after the functionalization and modifications of organic groups while FT-IR, Raman, XPS and solid-state C-13 CP MAS NMR shows the presence of sulfonic acid groups and the stability of the mesoporous framework. The catalytic activity of the developed materials was evaluated in the liquid phase Claisen-Schmidt condensation reaction of acetophenone with benzaldehyde, to probe the effect of mesoporous support surfaces as well as the role of preparation methods. Results showed that sulfonic acid functionalized ethane-silica samples were more active, selective and stable than the conventional sulfonic acid containing mesoporous catalysts. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {condensation, ethane-silica, heterogeneity, sulfonic acids}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.04.040}, author = {Shylesh, S. and Samuel, Prinson P. and Srilakshmi, Ch. and Parischa, Renu and Singh, A. P.} } @article { ISI:000250026200022, title = {Supported copper oxide as a highly active/selective catalyst for the epoxidation of styrene by TBHP to styrene oxide}, journal = {Catalysis Communications}, volume = {8}, number = {10}, year = {2007}, month = {OCT}, pages = {1556-1560}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Liquid phase epoxidation of styrene by anhydrous and aqueous TBHP to styrene oxide has been studied under reflux, using different supported CuO (viz. Cuo/Si-MCM-41, CuO/Al2O3, CuO/Ga2O3 and CuO/In2O3) as easily separable and reusable heterogeneous catalysts. The CuO/Ga2O3 catalyst showed the best performance in the epoxidation by aqueous TBHP. The CuO supported on In2O3 or Si-MCM-41 also showed very good performance in the epoxidation but only by anhydrous TBHP. However, the CUO/SiO2 catalyst, however, showed very good performance in the epoxidation by both the anhydrous and aqueous TBHP. Influence of the reaction conditions (temperature, time and TBHP/styrene ratio) on the epoxidation by aqueous TBHP over the best catalyst (CuO/Ga2O3) has been investigated. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {CuO/Al2O3, CuO/Ga2O3, CuO/In2O3, Cuo/Si-MCM-41, CuO/SiO2, epoxidation, styrene, Styrene oxide, tertiary butyl hydroperoxide}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.01.005}, author = {Choudhary, Vasant R. and Jha, Rani and Chaudhari, Nitin K. and Jana, Prabhas} } @article { ISI:000249948100006, title = {Supramolecular architecture in some 4-halophenylboronic acids}, journal = {Crystal Growth \& Design}, volume = {7}, number = {10}, year = {2007}, month = {OCT}, pages = {1958-1963}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Crystal structures of 4-chloro- and 4-bromophenylboronic acids (1 and 2) and hydrates of 2 and 4-iodophenylboronic acid in two different forms (2a, 3a, and 3b), which were characterized by single-crystal X-ray diffraction methods, are reported. In structures I and 2, -B(OH)2 forms a syn-anti conformation, but it exists in syn-syn as well as anti-anti conformations in the hydrated structures 2a, 3a, and 3b. In all the structures, the molecules are held together by O-H center dot center dot center dot O interactions formed by -B(OH)2 groups. The C-H center dot center dot center dot X (X = Cl, Br, and I) interactions play an important role in crystal packing. In 2, Br center dot center dot center dot Br interactions are also observed. Interestingly, all the three hydrates form similar types of three-dimensional structures with the formation of channels, which are occupied by water molecules. The two hydrates of 4-iodophenylboronic acid (3a and 3b) are distinguishable on the basis of O center dot center dot center dot O short contacts, with an identical host lattice of the boronic acid.
}, issn = {1528-7483}, doi = {10.1021/cg060863p}, author = {Shimpi, Manishkumar R. and SeethaLekshmi, Nanappan and Pedireddi, Venkateswara Rao} } @article { ISI:000249169900033, title = {Surface-state-mediated electron transfer at nanostructured ZnO multipod/electrolyte interfaces}, journal = {Journal of Physical Chemistry C}, volume = {111}, number = {35}, year = {2007}, month = {SEP}, pages = {13092-13102}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Redox kinetics of cyanoferrate(III) species adsorbed at an n-type ZnO multipod/electrolyte interface is explored using electrochemical techniques like cyclic voltammetry and impedance spectroscopy. The electrochemical impedance results are analyzed using a fluctuating energy level model, assuming isoenergetic tunneling of majority carriers through the Helmholtz layer. A shift in the slope of Mott-Schottky plots (C-sc(-2) versus E) together with evidence from cyclic voltammetry shows that the electron-transfer process is mediated by surface states formed because of the adsorption of ferricyanide ions (as evident from the results of Fourier transform infrared spectroscopy). More significantly, the pH of zero charge (point of zero zeta potential, pzzp) of ZnO multipods is found to be 4.5 (from capacitance vs pH plots) compared to that of bulk ZnO (pH 9.5), which could be explained on the basis of a lowering in the work function of the nanostructured semiconductor and its consequent susceptibility to the formation of surface states. This is in excellent agreement with our earlier observation of ultralow threshold field emission with this material in the light of the linear dependence of pzzp with work function of the electrode material. The flat-band potential of the nanostructures is found to be 200 mV more negative than that reported for bulk n-type ZnO electrodes, indicating a higher doping density in the former. A three-dimensional mapping of charge distribution in the surface states is attempted by correlating the capacitance response of the system subjected to a sinusoidal potential modulation to the semiconductor electrode with that resulting from a systematic variation of the redox potential of the dissolved acceptor (achieved by varying the pH of the electrolyte) which further reveals the polyenergetic nature of the surface states.
}, issn = {1932-7447}, doi = {10.1021/jp072695x}, author = {Parthasarathy, Meera and Ramgir, Niranjan S. and Sathe, Bhaskar R. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article { ISI:000243765100017, title = {Swelling and mechanical behavior of modified poly(vinyl alcohol)/laponite nanocomposite membranes}, journal = {Journal of Applied Polymer Science}, volume = {103}, number = {5}, year = {2007}, month = {MAR}, pages = {2896-2903}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Nanocomposite (NC) membranes based on hydrophobically modified PVA and laponite were synthesized with varying laponite content in the feed. The incorporation of laponite in NC membranes was investigated by FTIR spectroscopy and thermogravimetric analysis. The swelling ratio of membranes was determined as a function of temperature and laponite content. Swelling studies of NC membranes exhibited the decrease in swelling with an increase in laponite content in the NC membranes. The swelling ratio of NC membrane with 20\% laponite slightly increased with an increase in temperature. Dynamic mechanical analysis showed the systematic increase in storage modulus with laponite content, which indicates the enhancement of mechanical property upon laponite addition. There was also a decrease in the tan 6 peak values of NC membranes with an increase in laponite content in NCs. The permeabilities through NC membranes as a function of solute size and laponite content were studied and the results showed molecular screening based on size. The permeability of solute reduced due to the presence of well-dispersed laponite in the NC. (c) 2006 Wiley Periodicals, Inc.
}, keywords = {Dynamic mechanical analysis, laponite, membranes, nanocomposite hydrogel, poly(vinyl alcohol)}, issn = {0021-8995}, doi = {10.1002/app.25469}, author = {Nair, Shubhangi H. and Pawar, Kiran C. and Jog, Jyoti Prakash and Badiger, Manohar V.} } @article { ISI:000245148800020, title = {Synergetic effect of two halogen promoters present in acidic reaction medium or catalyst on the H2O2 formation (in H-2-to-H2O2 oxidation) and destruction over Pd/C (or Al2O3) catalyst}, journal = {Journal of Catalysis}, volume = {246}, number = {2}, year = {2007}, month = {MAR}, pages = {434-439}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
A strong synergetic effect of two different halide anions (F- and I-, Cl- and I-, Cl- and Br-, and F- and Br-) at optimum concentration in the catalyst or in an acidic reaction medium was observed in the H-2-to-H2O2 oxidation over Pd/C, Pd/Al2O3, and halogenated Pd/Al2O3 catalysts. The synergetic effect promote, the net H2O2 formation by inhibiting the H2O2 decomposition and hydrogenation reactions. The effect is most pronounced for the combination of fluoride (or chloride) and iodide anions. The Br (1 wt\%)-F (1 wt\%)-Pd (5 wt\%)/Al2O3 catalyst showed very high H2O2 yield (59\%)/selectivity (60\%) in the H-2-to-H2O2 oxidation. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {H-2-to-H2O2 oxidation, H2O2 decomposition H2O2 hydrogenation, halogen promoter, Hydrogen peroxide, Pd/Al2O3, Pd/C, synergetic effect}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.12.012}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000250387000005, title = {Synergistic effect of CPPU and benzyladenine on embryo rescue in six. stenospermocarpic cultivars of grapevine}, journal = {Vitis}, volume = {46}, number = {4}, year = {2007}, month = {JAN}, pages = {188-191}, publisher = {BUNDESANSTALT ZUCHTUNGS FORSCHUNG KULTURPFLANZEN}, type = {Article}, address = {INST REBENZUCHTUNG GEILWEILERHOF, D-76833 SIEBELDINGEN, GERMANY}, abstract = {
In ovulo/embryo culture technique has been used to recover hybrids from seedless grapevines. The present investigation was carried out to study the influence of pre-bloom sprays of N-(2-chloro-4-pyridyl)-N{\textquoteright}-phenylurea (CPPU) - a synthetic cytokinin, and N-6-benzyladenine (BA) supplemented in culture media on embryo recovery in six stenospermocarpic grapevine cultivars. The results showed synergistic effect of CPPU and BA on embryo recovery. Though a CPPU spray alone increased embryo recovery in four out of six cultivars tested, the efficiency was enhanced several fold on culture of excised ovules on media supplemented with BA. The percentage of embryo recovery also depended on BA concentration and varied among six cultivars indicating a genotypic influence as well. Germination percentage of rescued embryos varied among the six cultivars and mostly corresponded with embryo recovery. Germinated embryos developed into normal plantlets. Present study demonstrates that spraying of panicles with CPPU and incorporation of BA in the ovule culture medium can enhance the embryo recovery in stenospermocarpic cultivars of grapevine.
}, keywords = {benzyladenine, CPPU, embryo rescue, seedless grapes}, issn = {0042-7500}, author = {Nookaraju, A. and Barreto, M. S. and Karibasappa, G. S. and Agrawal, Dinesh C.} } @article { ISI:000243798400010, title = {Synergistic role of acid sites in the Ce-enhanced activity of mesoporous Ce-Al-MCM-41 catalysts in alkylation reactions: FTIR and TPD-ammonia studies}, journal = {Journal of Catalysis}, volume = {245}, number = {2}, year = {2007}, month = {JAN}, pages = {338-347}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The acidic properties of Ce-x-Al-y-MCM-41 with different Ce/Al/Si atomic ratios were examined by pyridine-FTIR and ammonia-TPD methods. Both the density and the strength of the acid sites were considerably higher in the samples containing both Ce and Al than in the samples with only one of these substituents. The IR spectra of chemisorbed pyridine revealed that the Ce-Al-MCM-41 samples contained at least two distinct Lewis acid sites, L-2 (1595-1444 cm(-1)) and L-1 (1613-1452 cm(-1)), where the L-2/L-1 ratio increased progressively with increasing Ce/Al atomic ratio in a series of samples with similar Si/Al ratios. In addition, the density of the Bronsted acid sites (B) as well as the B/L-1 ratio increased with increasing Ce/Al molar ratio in these samples. The findings of this study help us understand the synergistic role played by Lewis and Bronsted acid sites in the catalytic activity of these catalysts for the benzylation of toluene. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {ammonia-TPD, benzylation reaction, Ce-Al-MCM-41, Friedel-Crafts alkylation, pyridine-FrIR}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.10.022}, author = {Kalita, Pranjal and Gupta, Narendra M. and Kumar, Rajiv} } @article { ISI:000253154500023, title = {Syntheis of unusual tricyclic ring systems of biological interest}, journal = {Heterocycles}, volume = {73}, number = {1}, year = {2007}, month = {DEC}, pages = {269+}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We describe a new synthesis of tricyclic scaffolds that incorporate a fusion of triazole with 1,4-benzodiazepine utilizing intramolecular {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry.
}, keywords = {1, 2, 3-Triazole, 4-benzodiazepine, Click chemistry, nitrogen rich polycyclic hetero-system, privileged structure}, issn = {0385-5414}, author = {Mohapatra, Debendra K. and Maity, Pradip K. and Chorghade, Mukund S. and Gurjar, Mukund K.} } @article { ISI:000245341700009, title = {Syntheses of 1,2-amino alcohols and their applications for oxazaborolidine catalyzed enantioselective reduction of aromatic ketones}, journal = {Australian Journal of Chemistry}, volume = {60}, number = {3}, year = {2007}, month = {APR}, pages = {196-204}, publisher = {CSIRO PUBLISHING}, type = {Article}, address = {150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA}, abstract = {
Six new chiral 1,2-amino alcohol derivatives have been synthesized starting from (1R, 2R)-2-amino-1-phenylpropane-1,3- diol. Asymmetric reduction of aryl ketones with in-situ generated oxazaborolidine from these amino alcohol derivatives and BH3 center dot Me2S afforded secondary alcohols with good yield and moderate to high enantiomeric excess.
}, issn = {0004-9425}, doi = {10.1071/CH06412}, author = {Vatmurge, Namdev S. and Hazra, Braja G. and Pore, Vandana S.} } @article {Bhattacharya, title = {Synthesis and characterisation of polymer-anchored oxidovanadium(IV) complexes and their use for the oxidation of styrene and cumene}, journal = {European Journal of Inorganic Chemistry}, number = {16}, year = {2007}, month = {JUN}, pages = {2303-2314}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
{The Schiff bases H(2)fsal-ea (I), H(2)fsal-pa (II) and H(2)fsal-amp (III), derived from 3-formylsalicylic acid and 2-aminoethanol, 3-aminopropanol and 2-amino-2-methylpropanol, respectively, have been connected, by means of covalent bonds, to chloromethylated polystyrene cross-linked with 5\% divinylbenzene. On treatment with [
}, keywords = {dissolution rate, mass transfer coefficient, particle size distribution, polydisperse solid, reactive liquid}, issn = {0930-7575}, author = {Maurya, Mannar R. and Kumar, Umesh and Manikandan, Palanichamy} } @article { ISI:000245141300028, title = {Synthesis and characterization of hindered amine light stabilizers based on end functionalization of polypropylene}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {3}, year = {2007}, month = {MAY}, pages = {1596-1602}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
A polymeric hindered amine light stabilizer (HALS), where HALS moiety was attached at the terminal end of the polypropylene chain via end-functionalized vinylidine PP through simple organic reactions, was synthesized. It comprises the synthesis of vinylidine-terminated polypropylene by using Cp2ZrCl2/MAO as catalyst system and epoxidation of vinylidene polypropylene. The final product was synthesized by carrying out the reaction between epoxy end functionalized polypropylene and 4-amino-2,2,6,6-tetrametyl piperidine. The final product was characterized by using H-1 NMR, C-13 NMR, and FT-IR spectra. Functionality was calculated by using vapor phase osmometry and H-1 NMR. The solubility and diffusion coefficient of the product were calculated and also its stabilization performance was checked. (c) 2007 Wiley Periodicals, Inc.
}, keywords = {end functionalization, functionalization of polymers, polymeric HALS, polypropylene, vinylidine and photostabilization}, issn = {0021-8995}, doi = {10.1002/app.25745}, author = {Reddy, K. Raghunatha and Kumar, Bijendra and Rana, Sravendra and Tevtia, Amit K. and Singh, R. P.} } @article { ISI:000243695000025, title = {Synthesis and characterization of mesoporous carbon through inexpensive mesoporous silica as template}, journal = {Microporous and Mesoporous Materials}, volume = {98}, number = {1-3}, year = {2007}, month = {JAN}, pages = {189-199}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Mesoporous silica materials have been synthesized through sol-gel reaction using inexpensive sodium silicate as source of silica and low cost hydroxy carboxylic acid compounds as templates/pore forming agents. The material measured surface area of 1014 m(2)/g, pore diameter of 65 angstrom and pore volume of 1.4 cc/g when parameters like time and temperature of synthesis along with mole ratio of TA/SiO(2) were optimized. Here TA stands for tartaric acid. Carbonization of sucrose inside the pores of above silica material at 900 degrees C followed by removal of silica framework using aqueous ethanoic solution of NaOH gave rise to mesoporous carbon material. The resulting materials were characterized by N(2)-sorption, FTIR spectroscopy, X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, thermal analysis and cyclic voltammetry. Three dimensional interconnecting wormhole channel arrangement of mesoporous silica template leads to mesoporous carbon replica with surface area of 1200 m(2)/g. X-ray photoelectron spectroscopic study (XPS) of the mesoporous carbon material shows the concentration of carbon atom in the range of 97-98\% with 1-2\% oxygen and negligible amount of silica. The electrochemical double layer capacitance behavior of carbon material with the specific capacitance value of 88.0 F/g at the scan rate of 1 mV/s appears to be promising. (C) 2006 Elsevier Inc. All rights reserved.
}, keywords = {Electrochemical properties, hydroxy carboxylic acid, mesoporous carbon, Mesoporous silica, sodium silicate}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.09.003}, author = {Karandikar, Prashant R. and Patil, K. R. and Mitra, A. and Kakade, Bhalchandra A. and Chandwadkar, Asha J.} } @article { ISI:000250399300012, title = {Synthesis and characterization of NCL-5, NCL-6 and NCL-7: new zeolites enriched with polymorph B of the BEA family}, journal = {Microporous and Mesoporous Materials}, volume = {105}, number = {1-2}, year = {2007}, month = {SEP}, pages = {82-88}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The synthesis of all-silica analogs of polymorph B-enriched zeolites of the BEA family denoted as NCL-5, NCL-6 and NCL-7 was realized hydrothermally at lower water content in fluoride medium using perchloric acid as promoter and terraethylammonium hydroxide as template. The present article explains the effect of different synthesis parameters on NCL-5, NCL-6 and NCL-7. The samples were characterized using XRD, low temperature N-2-adsorption, Si-29 MAS NMR and FTIR spectroscopy. The phase composition of the structures was derived using simulated patterns for the random intergrowths of polymorphs A and B using DIFFaX Code. The stacking direction c{\textquoteright} is perpendicular to the a{\textquoteright}b{\textquoteright} plane of the layer. The phase composition of polymorph B derived using DIFFaX code was found to be 90-95\%. 70-75\% and 60-65\% in NCL-5, NCL-6 and NCL-7, respectively. The gradual decrease of polymorph B concentration in these samples showed a correlation with the decrease in water/SiO2 molar ratio in gel. The framework FTIR spectral analysis of NCL-5 and all-silica-beta supported the postulation that significant enrichment of polymorph B in NCL-5 compared to that in all-silica-beta, as indicated by the relative intensities of pair of bands at 1097 and 1018 cm(-1) and 460 and 423 cm(-1) vibrations, leads to more tortuous channel structure associated with polymorph B. (C) 2007 Elsevier Inc. All riahts reserved.
}, keywords = {BEA family, NCL-5, NCL-6, NCL-7, polymorph B enrichment, synthesis, zeolites}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.05.063}, author = {Kadgaonkar, Mahesh D. and Kasture, Mahesh W. and Bhange, Deu S. and Joshi, Praphulla N. and Ramaswamy, Veda and Gupta, Narendra M. and Kumar, Rajiv} } @article { ISI:000250410500033, title = {Synthesis and characterization of new aromatic polyesters containing biphenyl side groups}, journal = {Journal of Applied Polymer Science}, volume = {106}, number = {5}, year = {2007}, month = {DEC}, pages = {3105-3110}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Aromatic polyesters containing biphenyl side groups were synthesized by phase-transfer catalyzed interfacial polycondensation of 1-(4-biphenylyl)-1,1-bis(4-hydroxyphenyl) ethane (BBHPE) with terephthaloyl chloride (TPC), isophthaloyl chloride (IPC), and a mixture of TPC/IPC (50: 50 mol ratio). Copolyesters were synthesized by utilizing different molar proportions of BBHPE and 4,4-isopropylidenediphenol (BPA) with IPC and TPC. The inherent viscosities of polyesters were in the range 0.44-1.26 dL/g. All the polyesters were soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, meta-cresol, pyridine, N,N-dimethylformamide, N,N-dimethylacetamide, and 1-methyl-2-pyrrolidmone. Tough, transparent, and flexible films could be cast from chloroform solutions of these polyesters. WAXD measurements indicated that all the polyesters and copolyesters were amorphous in nature. Glass transition temperature of polyesters were in the range 198-256 degrees C, while the initial degradation temperature of polyesters were in the range 444-481 degrees C. Copolyesters derived from BBHPE exhibited improved solubility and higher glass transition temperatures compared to the corresponding polyesters based on BPA. (c) 2007 Wiley Periodicals, Inc.
}, keywords = {Aromatic polyesters, biphenyl side groups}, issn = {0021-8995}, doi = {10.1002/app.25862}, author = {Honkhambe, Pandurang N. and Avadhani, C. V. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000247807900003, title = {Synthesis and characterization of novel polyurethanes based on 4,4 {\textquoteleft}-[1,4-phenylenedi-diazene-2,1-dlyl] bis(2-carboxyphenol) and 4,4 {\textquoteleft}-[1,4-phenylenedi-diazene-2,1-diyl] bis(2-chlorophenol) hard segments}, journal = {Reactive \& Functional Polymers}, volume = {67}, number = {6}, year = {2007}, month = {JUN}, pages = {503-514}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Eight novel polyurethanes (PUs) based on 4,4{\textquoteright}-[1,4-phenylenedi-diazene-2,1-diyl]bis(2-carboxyphenot) and 4,4{\textquoteright}-[1,4phenylenedi-diazene-2,1-diyl]bis(2-chloro- phenol) as hard segments with four diisocyanates viz., 4,4-diphenyl-methane diisocyanate, toluene 2,4-diisocyanate, isophorone diisocyanate and hexamethylene diisocyanate were prepared. Structural and thermal characterization of the segmented PUs were determined by FT-IR, UV spectrophotometry, fluoroscence spectroscopy, H-1 NMR, C-13 NMR spectroscopy and DTA/TGA analysis. All the PUs contain domains of semi-crystalline and amorphous structures, as indicated by X-ray diffraction. PUs were soluble in polar aprotic solvents like N-methyl-2-pyrrolidone (NMP), dimethyl formamide (DMF) and dimethylsulfoxide (DIVISO). (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {azo polymers, fluorescence, hard segments, Morphology, phase separation, polyurethanes, spectroscopy, Thermal properties}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2007.02.003}, author = {Raghu, A. V. and Gadaginamath, G. S. and Mathew, Nevin T. and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article { ISI:000243242700003, title = {Synthesis and characterization of poly(higher-alpha-olefin)s with a nickel(alpha-diimine)/methylaluminoxane catalyst system: effect of chain running on the polymer properties}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {45}, number = {2}, year = {2007}, month = {JAN}, pages = {191-210}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Homopolymerization of octadecene-1 at different reaction conditions has been studied. Significant chain running can be seen at higher polymerization temperatures. Interestingly, insertion of octadecene-1 into a sterically hindered nickel-cation/carbon (secondary) bond is observed. The microstructure of the polymer was established using NMR spectroscopy. The effects of chain running on polymer melting, crystallization behavior, and dynamic mechanical thermal properties were studied using DSC and DMTA. The extent of chain running (i.e., 2 omega-, 1,omega-enchainments) decreases with an increase in the carbon number of alpha-olefins. (c) 2006 Wiley Periodicals, Inc.
}, keywords = {chain running, Crystallization, glass transition, melt transition, nickel (alpha-diimine), NMR, poly(alpha-olefin)s}, issn = {0887-624X}, doi = {10.1002/pola.21783}, author = {Subramanyam, Ummadisetty and Sivaram, Swaminathan} } @proceedings { ISI:000291657600051, title = {Synthesis and characterization of value added catalysts zeolite beta using environmentally detrimental flyash}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {438-443}, publisher = {Elsevier Science BV}, address = {Beijing, Peoples R China}, abstract = {
Fly ash is a major byproduct of Thermal power plant, which makes a lot of pollution to the environment due to its fineness. When a large amount of fly ash is dumped in the places near to power plants, it mixes in all segment of environment like water, air as well as soil. Though it can be utilized for different useful purposes, due to the lack of technical knowledge about how and proper motivation, no progress has been made in its utilization. It has been demonstrated that the fly ash can be used for making a value added catalyst zeolite beta by using simple and low cost process. In the present paper it is demonstrated that the fly ash can be used as a source of silica and alumina in the synthesis of value added catalyst zeolite beta. Moreover, the influence of different silica sources such as tetraethylortho silicate, silica sol and fumed silica on the physiochemical characteristics of well crystallized zeolite beta was also studied. The detailed characterization was carried out by using powder XRD, (27)Al and (29)Si MAS NMR, chemical analysis and low temperature nitrogen adsorption. Based on the data obtained from various systems containing different silica source, fumed silica is found to be most efficient source materials and showed superiority in the uniformity of aluminum distribution and possesses higher surface area.
}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Kasture, M. W. and Bokade, Vijay V. and Joshi, P. N. and Kumar, R.}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000248203200019, title = {Synthesis and evaluation of 1-deoxy-8-epi-castanospermine, 1-deoxy-8-hydroxymethyl castanospermine, and (6S,7S,8R,8aR)-8-amino-octahydroindolizine-6,7-diol}, journal = {Tetrahedron}, volume = {63}, number = {22}, year = {2007}, month = {MAY}, pages = {4756-4761}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short, versatile, and enantioselective synthesis of 1-deoxy-8-epi-castanospermine (5), 1-deoxy-8-hydroxymethyl castanospermine (6), and (6S,7S,8R,8aR)-8-amino-octahydroindolizine-6,7-diol (7) is achieved from a common template 12. The key step utilized is PET provoked amine radical cyclization of 11 to 12 in excellent diastereoselectivity. The exocyclic double bond at C-8 of the template is functionalized to obtain 5-7 as exclusive diastereomers. 1-Deoxy-8-epi-castanospermine exhibited inhibition of alpha- and beta-galactosidase and beta-glucosidase. Compounds 6 and 7 were found to be weak inhibitors of beta-glucosidase. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {1-deoxy-8-epi-castanospermine, castanospermine, Glycosidase inhibitors}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.03.085}, author = {Pandey, Ganesh and Dumbre, Shrinivas G. and Pal, Sujit and Khan, Mohammad Islam and Shabab, A.} } @article { ISI:000245634500005, title = {Synthesis and evaluation of 4/5-hydroxy-2,3-diaryl(substituted)-cyclopent-2-en-1-ones as cis-restricted analogues of combretastatin A-4 as novel anticancer agents}, journal = {Journal of Medicinal Chemistry}, volume = {50}, number = {8}, year = {2007}, month = {APR}, pages = {1744-1753}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new series of 2,3-diaryl-4/5-hydroxy-cyclopent-2-en-1-one analogues replacing the cis double bond of combretastatin A-4 (CA-4) by 4/5-hydroxy cyclopentenone moieties was designed and synthesized. The analogues displayed potent cytotoxic activity (IC50 \< 1 mu g/mL) against a panel of human cancer cell lines and endothelial cells. The most potent analogues 11 and 42 belonging to the 5-hydroxy cyclopentenone class were further evaluated for their mechanism of action. Both of the analogues led to cell cycle arrest at G2/M phase and induced apoptosis in endothelial cells. Antitubulin property of 42 was superior to 11 and comparable to CA-4. The compound 42 had better aqueous solubility, metabolic stability, and pharmacokinetic profile than CA-4 and also demonstrated significant tumor regression in the human colon xenograft model. Our data suggests that cis-restricted analogues of CA-4 are a new class of molecules that have the potential to be developed as novel agents for the treatment of cancer.
}, issn = {0022-2623}, doi = {10.1021/jm060938o}, author = {Gurjar, Mukund K. and Wakharkar, Radhika D. and Singh, Anu T. and Jaggi, Manu and Borate, Hanumant B. and Shinde, Popat D. and Verma, Ritu and Rajendran, Praveen and Dutt, Sarjana and Singh, Gurvinder and Sanna, Vinod K. and Singh, Manoj K. and Srivastava, Sanjay K. and Mahajan, Vishal A. and Jadhav, Vinod H. and Dutta, Kakali and Krishnan, Karthik and Chaudhary, Anika and Agarwal, Shiv K. and Mukherjee, Rama and Burman, Anand C.} } @article { ISI:000250179600010, title = {Synthesis and evaluation of antifungal properties of a series of the novel 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and its analogues}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {15}, number = {21}, year = {2007}, month = {NOV}, pages = {6705-6715}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A series of 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and various analogues have been synthesized in excellent isolated yields starting from various arylidenemalononitrile and 3-amino-2-cyclohexen-1-one in 1-propanol as solvent at reflux temperature in the absence of any added catalyst. All the synthesized compounds were evaluated for their antifungal activity. The relationship between functional group variation and biological activity of the evaluated compounds is discussed in the article. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Antifungal activity, antiproliferative activity, arylidenemalononitriles, arylquinoline carbonitrile, Michael addition}, issn = {0968-0896}, doi = {10.1016/j.bmc.2007.08.009}, author = {Gholap, Atul R. and Toti, Kiran S. and Shirazi, Fazal and Kumari, Ratna and Bhat, Manoj Kumar and Deshpande, Mukund V. and Srinivasan, Kumar V.} } @article { ISI:000250367600011, title = {Synthesis and glycosidase inhibitory studies of pentahydroxyindolizidines: D-Glucose-Derived aziridine-2-carboxylate approach}, journal = {European Journal of Organic Chemistry}, number = {29}, year = {2007}, month = {OCT}, pages = {4895-4901}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
D-Glucose -derived aziridine-2-carboxylate I was converted into a-amino aldehyde 7, which, after Wittig olefination, asymmetric dihydroxylation, hydrogenation followed by LiAlH4 reduction, and N-Cbz protection, afforded two diastereomeric pyrrolidines 11a and 11b with sugar appendages. Removal of the 1,2-acetonide functionality in 11a/11b and reductive animation gave the pentahydroxyindolizidine alkaloids 6g and 6h, respectively, with (S) absolute configurations at the ring junctions. The glycosidase inhibitory activities of these compounds were studied.
}, keywords = {asymmetric dihydroxylation (AD), Iminosugars, indolizidine, N-methylmorpholine, N-oxide (NNIO)}, issn = {1434-193X}, doi = {10.1002/ejoc.200700461}, author = {Kumar, K. S. Ajish and Chaudhari, Vinod D. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000246321200039, title = {Synthesis and LPG sensing properties of nano-sized cadmium oxide}, journal = {Talanta}, volume = {72}, number = {2}, year = {2007}, month = {APR}, pages = {594-599}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
This paper reports the synthesis and liquid petroleum gas (LPG) sensing properties of nano-sized cadmium oxide (CdO). The nano-sized CdO powder was successfully synthesized by using a chemical co-precipitation method using cadmium acetate and the ammonium hydroxide, as starting materials and water as a carrier. The resulting nano-sized powder was characterized by X-ray diffraction (XRD) measurements and the transmission electron microscopy (TEM). The LPG sensing properties of the synthesized nano-sized CdO were investigated at different operating temperatures and LPG concentrations. It was found that the calcination temperature and the operating temperature significantly affect the sensitivity of the nano-sized CdO powder to the LPG. The sensitivity is found to be maximum when the calcination temperature was 400 degrees C. The sensitivity to 75 ppm of LPG is maximum at an operating temperature 450 degrees C and it was found to be similar to 34 1 \%. The response and recovery times were found to be nearly 3-5s and 8-10s, respectively. The synthesized nano-sized CdO powder is able to detect up to 25 ppm for LPG with reasonable sensitivity at an operating temperature 450 degrees C and it can be reliably used to monitor the concentration of LPG over the range (25-75 ppm). The experimental results of the LPG sensing studies reveal that the nano-sized CdO powder synthesized by a simple co-precipitation method is a suitable material for the fabrication of the LPG sensor. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {chemical co-precipitation, Gas sensor, LPG, nano-sized CdO}, issn = {0039-9140}, doi = {10.1016/j.talanta.2006.11.024}, author = {Waghulade, R. B. and Patil, P. P. and Pasricha, Renu} } @article { ISI:000246042800003, title = {Synthesis and magnetic properties of Mn doped ZnO nanowires}, journal = {Solid State Communications}, volume = {142}, number = {4}, year = {2007}, month = {APR}, pages = {190-194}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Mn doped ZnO nanowires have been synthesized using a simple autocombustion method. The as-synthesized Mn doped ZnO nanowires were characterized by X-ray diffraction and transmission electron microscopy. An increase in the hexagonal lattice parameters of ZnO is observed on increasing the Mn concentration. Optical absorption studies show an increment in the band gap with increasing Mn content, and also give evidence for the presence of Mn2+ ions in tetrahedral sites. All Zn1-xMnxO (0 \<= x \<= 0.25) samples are paramagnetic at room temperature. However, a large increase in the magnetization is observed below 50 K. This behavior, along with the negative value of the Weiss constant obtained from the linear fit to the susceptibility data below room temperature, indicate ferrimagnetic behavior. The origin of ferrimagnetism is likely to be either the intrinsic characteristics of the Mn doped samples, or due to some spinel-type impurity phases present in the samples that could not be detected. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Combustion synthesis, diluted magnetic semiconductor, magnetic properties, Mn doped ZnO}, issn = {0038-1098}, doi = {10.1016/j.ssc.2007.02.017}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000242775700046, title = {Synthesis and MASNMR characterization of VPI-5 molecular sieve}, journal = {Asian Journal of Chemsitry}, volume = {19}, number = {1}, year = {2007}, month = {FEB}, pages = {347-353}, publisher = {ASIAN JOURNAL OF CHEMISTRY}, type = {Article}, address = {11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIA}, abstract = {
The synthesized VPI-5 sample was characterized by XRD, SEM, FTIR, TG/DTA, Al-27, P-31 and 3Q MASNMR techniques, which shows that the sample was highly crystalline. Carbon and nitrogen analysis reveals that the sample contains no template molecules; however, TG/DTA analysis shows the presence of physisorbed template molecules. MASNMR results show the presence of two different types of aluminium and phosphorus, 3Q MASNMR shows the presence of two types of environmentally different tetrahedral aluminium, which are not observable by ordinary MASNMR along with known octahedral aluminium.
}, keywords = {3Q-MASNMR, FTIR, MASNMR, SEM, synthesis, TG/DTA, VPI-5, XRD}, issn = {0970-7077}, author = {Venkatathri, N.} } @article { ISI:000248609900039, title = {Synthesis, characterization, and acoustic properties of new soluble polyurethanes based on 2,2 {\textquoteleft}-[1,4-phenylenebis(nitrilomethylylidene)diphenol and 2,2 {\textquoteleft}-[4,4 {\textquoteleft}-methylene-di-2-methylphenylene-1,1 {\textquoteleft}-bis(nitrilomethylylidene)]diphenol}, journal = {Journal of Applied Polymer Science}, volume = {106}, number = {1}, year = {2007}, month = {OCT}, pages = {299-308}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Eight novel polyurethanes based on 2,2{\textquoteright}-[1,4-phenylenebis(nitrilomethylylidene)]diphenol and 2,2-[4,4{\textquoteright}methylene-di-2-methylphenylene-1,1{\textquoteright}-bis(nitrilomethylylidene) ]diphenol acting as hard segments with two aromatic and two aliphatic diisocyanates (4,4{\textquoteright}-diphenytmethane diisocyanate, toluene 2,4-diisocyanate, isophorone diisocyanate, and hexamethylene diisocyanate) were prepared and characterized with Fourier transform infrared, UV spectrophotometry, fluorescence spectroscopy, H-1-NMR and C-13-NMR spectroscopy, thermogravimetric analysis, and differential thermal analysis. All the polyurethanes contained domains of semicrystalline and amorphous structures, as indicated by X-ray diffraction. The acoustic properties and solubility parameters were calculated with the group contribution method. (c) 2007 Wiley Periodicals, Inc.
}, keywords = {infrared spectroscopy, NMR, phase behavior, polyurethanes, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.26547}, author = {Raghu, A. V. and Gadaginamath, G. S. and Mathew, Nevin T. and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article { ISI:000251014600008, title = {Synthesis, characterization and actuation behavior of polyaniline-coated electroactive paper actuators}, journal = {Polymer International}, volume = {56}, number = {12}, year = {2007}, month = {DEC}, pages = {1530-1536}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
This investigation deals with the synthesis, characterization and actuation behavior of conductive polyaniline-coated electroactive paper actuators. The actuator is made by electrochemical deposition of conductive polyaniline on a cellulose paper. The aim of the investigation was to improve the bending displacement of electroactive paper actuators. The displacement outputs of the actuators show that a trilayer is better than a bilayer configuration. The nature of the dopant ion used in the electro-generation affects the performance. A change in humidity plays a vital role in actuation performance of the actuators. Comparing the performance of electroactive paper actuators with and without a conductive polyaniline coating, the coating improves the displacement output threefold. Finally, the actuation principle mechanism is addressed. (C) 2007 Society of Chemical Industry.
}, keywords = {bending actuator, conducting polymer, electroactive polymer (EAP), polyaniline}, issn = {0959-8103}, doi = {10.1002/pi.2297}, author = {Kim, Jaehwan and Yun, Sung-Ryul and Deshpande, S. D.} } @article { ISI:000246023000002, title = {Synthesis, characterization, and performance evaluation of polymeric hindered amine light stabilizers (HALS) in EPDM}, journal = {E-Polymers}, year = {2007}, month = {APR}, pages = {Article No. 038}, publisher = {EUROPEAN POLYMER FEDERATION}, type = {Article}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {
Polymeric hindered amine light stabilizer (HALS), wherein the hindered amine functionality was attached to the brominated ethylene-propylene-diene terpolymer (EPDM) was synthesized. The brominated EPDM was synthesized as an intermediate for the synthesis of a new polymeric hindered amine light stabilizer. The grafting and functionalization reactions were characterized by FTIR and (HNMR)-H-1 spectroscopy. The photostabilizing efficiency of this polymeric HALS was studied and compared with conventional HALS under accelerated weathering conditions. The results of the study give evidence for superiority of polymeric HALS over that of melt blended conventional HALS.
}, keywords = {EPDM, Photostabilization, polymeric HALS}, issn = {1618-7229}, author = {Rana, Sravendra and Singh, Raj Pal} } @article { ISI:000251574200016, title = {Synthesis, NMR, X-ray crystallography and bioactivity of some alpha-aminophosphonates}, journal = {Arkivoc}, number = {13}, year = {2007}, month = {JAN}, pages = {133-141}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
The synthesis of some new alpha-aminophosphonates (4a-l) was accomplished by one pot reaction of equimolar quantities of 2-amino-4-chlorophenol (1), various aromatic aldehydes (2a-l) and diethylphosphite (3) in dry toluene at reflux temperature. Products 4a-l were characterized by IR, H-1, C-13, P-31 NMR and in the case of 4g by X-ray crystal diffraction data.
}, keywords = {alpha-Aminophosphonates, Antibacterial}, issn = {1424-6376}, author = {Prasad, Gandavaram Syam and Krishna, Jadaprolu Radha and Manjunath, Manubolu and Reddy, Obulam Vijaya Sarathi and Krishnaiah, Musali and Reddy, Cirandur Suresh and Puranik, Vedavati G.} } @article { ISI:000250557100030, title = {Synthesis of 1-deoxy-1-hydroxymethyl- and 1-deoxy-1-epi-hydroxymethyl castanospermine as new potential immunomodulating agents}, journal = {Journal of Medicinal Chemsitry}, volume = {50}, number = {22}, year = {2007}, month = {NOV}, pages = {5519-5523}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Two new C-1 epimeric hydroxymethyl castanospermine congeners 2a and 2b, synthesized by stereocon trolled intramolecular double reductive amination Of D-glucose derived beta-keto ester as a key step, showed impressive immuno-potentiating property. The bioactivity was mediated through up-regulation of T-H1/T-H2 cytokine ratio. The finding suggested that immunmodulatory activity of polyhydroxylated indolizidine alkaloids can be tuned by minor structural/stereochemical alterations.
}, issn = {0022-2623}, doi = {10.1021/jm070660f}, author = {Vyavahare, Vinod P. and Chakraborty, Chaitali and Maity, Biswanath and Chattopadhyay, Subrata and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article {43063, title = {Synthesis of 2-[4-(10H-Substituted Phenothiazine-3-yl)-6-Pyrimidin-2-Phenylthiol/ol/amine/thiol] Pyrroles}, journal = {E-Journal of Chemistry}, volume = {4}, year = {2007}, month = {JAN}, type = {Article}, abstract = {
2-[4-Hydroxy benz-1(propene-1-one)]Pyrrole II on treatment with phenyl thiourea, guanidine carbonate, urea and thiourea in alcoholic KOH yielded compounds III, IV, V, VI which on treatment with different aryl anilines gave compounds VII, VIII, IX, X which under goes cyclisation with sulphur and iodine to give 2-[4-(10H-substituted phenothiazine-3-yl)-6-pyrimidin-2-phenylthiol/-ol/-amine/-thiol] pyrrole XI(a-j), XII(a-j), XIII(a-j) and XIV(a-j) respectively. The structural products were characterized by elemental analysis and spectral data.
}, doi = {10.1155/2007/572543}, author = {Narule, Meghasham and Meshram, Jyotsna S. and Santhakumari, B. and Shanware, A.} } @article { ISI:000252218700032, title = {Synthesis of an indole containing KDR kinase inhibitor by tandem Sonogashira coupling-5-endo-dig-cyclization as a key step}, journal = {Tetrahedron}, volume = {63}, number = {51}, year = {2007}, month = {DEC}, pages = {12786-12790}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient synthesis of the potent KDR kinase inhibitor 3-[5-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-1H-indol-2-yl]quin oline-2-(1H)-one using a Sonogashira coupling-5-eiido-dig-cyclization strategy is described. (c) 2007 Elsevier Ltd. All rights reserved.
}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.09.075}, author = {Palimkar, Sanjay S. and More, Vijaykumar S. and Kumar, P. Harish and Srinivasan, Kumar V.} } @article { ISI:000252176200024, title = {Synthesis of aromatic poly(amide-imide)s from novel diimide-diacid (DIDA) containing sulphone and bulky pendant groups by direct polycondensation with various diamines}, journal = {European Polymer Journal}, volume = {43}, number = {12}, year = {2007}, month = {DEC}, pages = {5047-5054}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A novel diimide-diacid (DIDA) monomer, 4-{4-[(4-methyl phenyl) sulphonyl]}-1,3-bis-trimellitoimido benzene containing sulphone and bulky pendant groups was successfully synthesized and used to synthesize a series of wholly aromatic poly(amide-imide)s (PAIs) by direct polycondensation method. The direct polycondensation of newly synthesized DIDA with different diamines was carried Out via Yamazaki{\textquoteright}s phosphorylation method using triphenyl phosphite and pyridine system. The resulting poly(amide-imide)s were obtained in quantitative yields with inherent viscosities 0.36-0.47 dl/g in DMAc at 30 +/- 0.1 degrees C. The poly(amide-imide)s were amorphous and were readily soluble in various solvents such as N-methyl-2-pyrrolidinone (NMP), NN-dimethylacetamide (DMAc), N,N-dimethylformamide (DMF), dimethylsulfoxide (DMSO), and pyridine. Tough and flexible films were obtained by casting their DMAc solution. According to thermogravimetric analysis, the polymers were fairly stable up to temperature around 396 degrees C, and 10\% weight losses in the temperature range of 476-511 degrees C that showed good thermal stabilities of these polymers. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {direct polycondensation, poly(amide-imide)s, sulphone and bulky pendant groups, thermally stable polymers}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2007.08.016}, author = {Patil, Prashant S. and Pal, Ravindra R. and Salunkhe, Manikrao M. and Maldar, Noormahamad N. and Wadgaonkar, Prakash P.} } @article {Hung, title = {Synthesis of Bio-diesel and Bio-lubricant by transesterification of vegetable oil with lower and higher alcohols over heteropolyacids supported by clay (K-10)}, journal = {Process Safety and Environmental Protection}, volume = {85}, number = {B5}, year = {2007}, note = {Theoretical Chemistry Symposium 2006 (TCS 2006), Bharathidasan Univ, Trichy, INDIA, DEC 11-13, 2006}, month = {SEP}, pages = {372-377}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{The use of different lower and higher alcohols viz; methanol, ethanol, n-propanol and n-octanol, for the synthesis of methyl, ethyl, propyl and octyl fatty acid esters by transesterification of vegetable oil (triglycerides) with respective alcohols also known as {\textquoteleft}Bio-diesel{\textquoteright} and {\textquoteleft}Biolubricants{\textquoteright} was studied in detail. The reactions were carried out in a batch process. The activity with different supports like clay (K-10), activated carbon, ZSM-5, H-beta and TS-1 were compared. The superacids (heteropolyacids, HPA) viz; Dodeca-Tungstophosphoric acid [
}, keywords = {coprecipitation, lithium aluminate, Microemulsion, Nanoparticles, sol-gel, Surfactants}, issn = {0167-577X}, author = {Bokade, Vijay V. and Yadav, G. D.} } @article { ISI:000251658100005, title = {Synthesis of C-2 methylene glycosides from C-2 propargyloxymethyl glycals exploiting the alkynophilicity of AuCl3}, journal = {Tetrahedron Letters}, volume = {48}, number = {51}, year = {2007}, note = {21st Carbo Symposium 2006, Univ Delhi, Delhi, INDIA, NOV 26-29, 2006}, month = {DEC}, pages = {8960-8962}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
C-2 Methylene glycosides were synthesized from C-2 propargyloxymethyl glycals in a stereoselective manner using a catalytic quantity of AuCl3. The Au-catalyzed reaction was explored using various aglycones. The current protocol enables the preparation of C-2 methylene glycosides, tolerates diverse functional groups and is fast, catalytic and mild. (c) 2007 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.10.144}, author = {Kashyap, Sudhir and Vidadala, Srinivasa Rao and Hotha, Srinivas} } @article { ISI:000244798300032, title = {Synthesis of hydrothermally stable aluminium-containing ethane-silica hybrid mesoporous materials using different aluminium sources}, journal = {Microporous and Mesoporous Materials}, volume = {100}, number = {1-3}, year = {2007}, month = {MAR}, pages = {250-258}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Aluminium-containing ethane-silica hybrid mesoporous materials having ethane groups in the frame wall positions are synthesized using aluminium isopropoxide as well as aluminium nitrate as the aluminium sources. The materials were characterized in detail using powder XRD, N-2 adsorption-desorption, SEM, TEM, TG-DTG, TPD, Si-29, C-13 and Al-27 MAS NMR techniques. Characterization techniques revealed that aluminium isopropoxide was the appropriate source for the synthesis of organo aluminosilicas on considering the structural ordering, acidity as well as the percentage of aluminium incorporation into the ethane bridge. Al-27 MAS NMR displays aluminium as tetrahedrally coordinated in both the aluminium-containing organosilicas. Unlike the conventional EtOH-HCl template extraction process, in the present studies, we had used EtOH-NH4OH as the surfactant-extracting medium and chemical analysis results suggest that using this procedure the extent of dealumination can be greatly reduced. XRD and nitrogen physisorption studies further proved that the materials are hydrothermally stable, that the ordered pore channels retains its structure even after 150 h reflux in boiling water, while the conventional Al-MCM-41 catalyst collapsed its mesostructure after 50 h reflux in water. The improved hydrothermal stability of the hybrid materials, even in presence of sodium ions, is attributed to the thick pore walls as well as due to the presence of hydrophobic bridging ethane groups in the wall positions. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {Al-HMM, Al-MCM-4l, hybrid materials, Hydrothermal stability}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.11.010}, author = {Shylesh, S. and Samuel, Prinson P. and Singh, A. P.} } @article { ISI:000248175000038, title = {Synthesis of La0.7Sr0.3MnO3 at 800 degrees C using citrate gel method}, journal = {Ceramics International}, volume = {33}, number = {6}, year = {2007}, month = {AUG}, pages = {1129-1132}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Manganite systems have been of considerable interest in the recent past due to their potential to operate in wide property range and also to serve as effective magnetic sensing and storing devices when synthesized using stringent conditions. We report a novel citrate gel method, in which La0.7Sr0.3MnO3 system has been synthesized at temperature 800 degrees C (LSMO800) with the synthesis duration is 6 h. The results have been compared with the sample synthesized at 1050 degrees C (LSMO1050). The synthesized bulk polycrystalline sample shows single-phase nature with the increase in particle size from similar to 50 nm to 300 nm with the increase in the sintering temperature. The magnetization data for LSMO800 shows well-defined hysteresis with saturation magnetization at around 1800 Oe and Curie temperature at 360 K, which is slightly lower than that of LSMO1050, which is 375 K. The results can be well attributed to the grain boundary effects. (C) 2006 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {Ceramics, Citrate gel method, CMR, Oxides}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2006.02.008}, author = {Ravi, V. and Kulkarni, S. D. and Samuel, V. and Kale, Sangeeta N. and Mona, J. and Rajgopal, R. and Daundkar, A. and Lahoti, P. S. and Joshi, Rakesh S.} } @article { ISI:000244678100004, title = {Synthesis of L-ido-configured six- and seven-membered carba-sugars}, journal = {Synthesis-Stuttgart}, number = {4}, year = {2007}, month = {FEB}, pages = {523-528}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Ring-closing olefin metathesis has been successfully applied to the modular construction of L-ido-configured six- and seven-membered carba-sugars.
}, keywords = {allylations, carbocycles, carbohydrates, Metathesis, Radical reactions}, issn = {0039-7881}, doi = {10.1055/s-2007-965899}, author = {Ramana, C. V. and Chaudhuri, Siddhartha Ray and Gurjar, Mukund K.} } @article {42600, title = {Synthesis of natural fimbrolides}, journal = {Synthesis-Stuttgart}, year = {2007}, month = {JUL}, pages = {2198-2202}, doi = {10.1055/s-2007-983755}, author = {Haval, Kishan P. and N. P. Argade} } @article {33}, title = {Synthesis of pharmaceutical intermediates by toluene benzylation over heteropoly acids on different support}, journal = {Journal of Natural Gas Chemistry}, volume = {16}, number = {2}, year = {2007}, note = {International Conference on Nano Science and Technology (ICONSAT 2006), New Delhi, INDIA, MAR 16-18, 2006}, month = {JUN}, pages = {186-192}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
{Selective formation of pharmaceutical intermediates like diphenylmethane, dimethyl-diphenylmethane, benzyl toluene and benzoic acid by liquid phase, toluene benzylation with benzyl chloride as a benzylating agent, was systematically studied over plane clay (K-10, montmorillonite), plane H-Beta, plane MFI structured titanosilicate (TS-1) and heteropoly acids [
}, keywords = {heteroassembly, nanoplates, polyfunctional capping agents, shape selective synthesis of gold-silver nanostructures, surface confinement}, issn = {1533-4880}, doi = {10.1016/S1003-9953(07)60046-2}, author = {Bokade, Vijay V. and Yadav, G. D.} } @article { ISI:000243013800061, title = {Synthesis of poly(aniline-co-o-toluidine) coatings and their corrosion-protection performance on low-carbon steel}, journal = {Journal of Applied Polymer Science}, volume = {103}, number = {3}, year = {2007}, month = {FEB}, pages = {1868-1878}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Strongly adherent poly(aniline-co-o-toluidine) coatings were synthesized on low-carbon-steel substrates by the electrochemical copolymerization of aniline with o-toluidine with sodium tartrate as the supporting electrolyte. These coatings were characterized with cyclic voltammetry, ultraviolet-visible absorption spectroscopy, Fourier transform infrared spectroscopy, nuclear magnetic resonance spectroscopy, and scanning electron microscopy. The formation of the copolymer with the mixture of monomers in the aqueous sodium tartrate solution was ascertained by a critical comparison of the results obtained from the polymerizations of the individual monomers, aniline and o-toluidine. The optical absorption spectrum of the copolymer was drastically different from the spectra of the respective homopolymers, polyaniline and poly(o-toluidine). The extent of the corrosion protection offered by poly(aniline-co-o-toluidine) coatings to low-carbon steel was investigated in aqueous 3\% NaCl solutions by open-circuit-potential measurements and a potentiodynamic polarization technique. The results of the potentiodynamic polarization measurements showed that the poly(aniline-co-o-toluidine) coatings provided more effective corrosion protection to low-carbon steel than the respective homo-polymers. The corrosion rate depended on the feed ratio of o-toluidine used for the synthesis of the copolymer coatings. (c) 2006 Wiley Periodicals, Inc.
}, keywords = {Coatings, conducting polymers, copolymerization, synthesis}, issn = {0021-8995}, doi = {10.1002/app.25346}, author = {Pawar, Pritee and Sainkar, S. R. and Patil, P. P.} } @article { ISI:000245142600010, title = {Synthesis of the C19-C34 segment of amphidinolide C}, journal = {Synlett}, number = {4}, year = {2007}, month = {MAR}, pages = {567-570}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
The synthesis of the C19-C34 segment of amphidinolide C is described. The key steps include the Mioskowski{\textquoteright}s Lewis acid catalyzed epoxide opening with the alcohol, ring-closing metathesis, Wittig reaction, and Nozaki-Hiyama-Kishi coupling reaction.
}, keywords = {amphidinolide C, Cytotoxic, Nozaki-Hiyama-Kishi coupling, Ring-closing metathesis, Wittig reaction}, issn = {0936-5214}, doi = {10.1055/s-2007-967968}, author = {Mohapatra, Debendra K. and Rahaman, Hasibur and Chorghade, Mukund S. and Gurjar, Mukund K.} } @article { ISI:000250026200021, title = {Synthesis of tinidazole by condensation-oxidation sequence using MoO3/SiO2 bifunctional catalyst}, journal = {Catalysis Communications}, volume = {8}, number = {10}, year = {2007}, month = {OCT}, pages = {1550-1555}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Antimicrobial drug, tinidazole has been synthesized by condensation of 2-methyl,5-nitro-imidazole and 2-ethyl-thio-ethanol over MoO3/SiO2 catalyst to obtain 1-(2-ethyl-thio-ethanol)-2-methyl-5-nitro-imidazole which is further oxidized using hydrogen peroxide using the same MoO3/SiO2 catalyst to obtain tinidazole. MoO3/SiO2 catalyst (20\%), synthesized by sol-gel process showed the highest acid strength and was successfully demonstrated to catalyze both condensation and oxidation in the synthesis of tinidazole. Due to the bifunctional activity of the catalyst, the use of acetic acid for condensation step and tungstic acid or ammonium molybdate for oxidation step in the conventional synthesis of tinidazole could be eliminated, thus making it an environmentally benign process. The catalysts could be recycled five times without any appreciable loss in the conversion and selectivity showing the potential for. the use of MoO3/SiO2 as bifunctional catalyst for the production of this industrially important compound. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {antimicrobial drug, condensation, MoO3/SiO2, Oxidation, solid acid catalyst, tinidazole}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.01.001}, author = {Chandorkar, J. G. and Shubhangi B. Umbarkar and Rode, C. V. and Kotwal, V. B. and Dongare, Mohan K.} } @article {12}, title = {Synthesis, structure, and reactivity of diazoketiminato complexes of platinum(II) and palladium(II): cytotoxic properties of a platinum complex}, journal = {European Journal of Inorganic Chemistry}, volume = {7}, number = {27}, year = {2007}, note = {19th International Symposium on Chemical Reaction Engineering (ISCRE 19), Pottsdam, GERMANY, SEP, 2006}, month = {SEP}, pages = {4272-4281}, publisher = {BASF; Bayer AG; Cargill bvba; Clariant Produkte GmbH; Degussa AG; Schering AG; Siemens AG; SOLVAY GmbH; UHDE GmbH; UHDE Inventa Fischer GbbH}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{Reaction of the 2-(arylazo)anilines Ar-N = N-C6H4NH2 [
}, keywords = {CFD, hydro processing, scale-down, scale-up, trickle bed}, issn = {1528-7483}, doi = {10.1021/cg070194v}, author = {Pratihar, Jahar Lal and Shee, Biswaranjan and Pattanayak, Poulami and Patra, Debprasad and Bhattacharyya, Arindam and Puranik, Vedavati G. and Hung, C. H. and Chattopadhyay, Surajit} } @article { ISI:000250647000072, title = {Template-assisted synthesis of ruthenium oxide nanoneedles: electrical and electrochemical properties}, journal = {Journal of Physical Chemistry C}, volume = {111}, number = {44}, year = {2007}, month = {NOV}, pages = {16593-16600}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We here demonstrate the formation of bundles of RuO2 nanoneedles (ca. 100 nm diameter) by a templateassisted electrodeposition from aqueous RuCl3 solution under potentiostatic conditions at room temperature. Cyclic voltammetric measurements in 0.5 M H2SO4 show significantly higher redox-related charging behavior for the RuO2 nanoneedles compared to that of the commercial sample, which is also supported by the electrochemical impedance data. A comparison of the specific capacitance reveals a higher value for nanoneedles (3 F/g instead of 0.4 F/g for the bulk), which has been explained on the basis of enhanced reactivity. More interestingly, electrical transport measurements reveal a transition from metallic to semiconducting behavior especially at low-temperature caused by an impurity scattering mechanism. We anticipate that the present simple route for the fabrication of RuO2 nanostructures will be useful to exploit their potentials in various fields such as electrocatalysis, nanoelectronics, and more importantly for designing supercapacitors.
}, issn = {1932-7447}, doi = {10.1021/jp0744836}, author = {Subhramannia, Mahima and Balan, Beena K. and Sathe, Bhaskar R. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article {Manoj, title = {Tethered Pd-complex on solid support: catalyst for acid-free carbonylation reactions}, journal = {Catalysis Communictions}, volume = {8}, number = {9}, year = {2007}, month = {SEP}, pages = {1386-1392}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{Palladium complex [
}, keywords = {decomposition, direct H2O2 synthesis, halides, Promoter}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.11.035}, author = {Sarkar, Bibbas R. and Mukhopadhyay, Kausik and Chaudhari, Raghunath V.} } @article { ISI:000245842600009, title = {Thermal stability of the Mobil Five type metallosilicate molecular sieves - an in situ high, temperature X-ray diffraction study}, journal = {Materials Research Bulletin}, volume = {42}, number = {5}, year = {2007}, month = {MAY}, pages = {851-860}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We have carried out in situ high temperature X-ray diffraction (HTXRD) studies of silicalite-1 (S-1) and metallosilicate molecular sieves containing iron, titanium and zirconium having Mobil Five (MFI) structure (iron silicalite-1 (FeS-1), titanium silicalite-1 (TS-1) and zirconium silicalite-1 (ZrS-1), respectively) in order to study the thermal stability of these materials. Isomorphous substitution of Si4+ by metal atoms is confirmed by the expansion of unit cell volume by X-ray diffraction (XRD) and the presence of Si-O-M stretching band at similar to 960 cm(-1) by Fourier transform infrared (FTIR) spectroscopy. Appearance of cristobalite phase is seen at 1023 and 1173 K in S-1 and FeS-1 samples. While the samples S-1 and FeS-1 decompose completely to cristobalite at 1173 and 1323 K, respectively, the other two samples are thermally stable upto 1623 K. This transformation is irreversible. Although all materials show a negative lattice thermal expansion, their lattice thermal expansion coefficients vary. The thermal expansion behavior in all samples is anisotropic with relative strength of contraction along {\textquoteleft}a{\textquoteright} axes is more than along {\textquoteleft}b{\textquoteright} and V axes in S- 1, TS-1, ZrS-1 and vice versa in FeS-1. Lattice thermal expansion coefficients (alpha(v)) in the temperature range 298-1023 K were -6.75 x 10(-6) K-1 for S-1, -12.91 x 10(-6) K-1 for FeS-1, -16.02 x 10(-6) K-1 for TS-1 and -17.92 x 10(-6) K-1 for ZrS-1. The highest lattice thermal expansion coefficients (alpha(v)) obtained were -11.53 x 10(-6) K-1 for FeS-1 in temperature range 298-1173 K, -20.86 x 10(-6) K-1 for TS-1 and -25.54 x 10(-6) K-1 for ZrS-1, respectively, in the temperature range 298-1623 K. Tetravalent cation substitution for Si4+ in the lattice leads to a high thermal stability as compared to substitution by trivalent cations. (c) 2006 Elsevier Ltd. All rights reserved.
}, keywords = {microporous materials, Thermal expansion, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2006.08.024}, author = {Bhange, Deu S. and Ramaswamy, Veda} } @article {42754, title = {Thioether-functionalized ferrocenyl-bis(phosphonite), Fe{(C5H4)P(-OC10H6(μ-S)C10H6O-)}2: synthesis, coordination behavior, and application in suzuki-miyaura cross-coupling reactions}, journal = {Inorganic Chemistry}, volume = {46}, year = {2007}, month = {OCT}, pages = {10268{\textendash}10275}, type = {Article}, abstract = {
The thioether-functionalized metalloligand ferrocenyl-bis(phosphonite), Fe(C5H4PR)2 (4, R = -OC10H6(μ-S)C10H6O-) is synthesized in three steps starting from ferrocene, and its coordination behavior toward various transition-metal derivatives is described. The reactions of 4 with [Rh(CO)2Cl]2 or M(COD)Cl2 afforded the chelate complexes, cis-[Rh(CO)Cl{Fe(C5H4PR)2-κP,κP}] (5) or cis-[MCl2{Fe(C5H4PR)2-κP,κP}] (6, M = PdII; 7, M = PtII), respectively. However, treatment of 4 with CuX (X = Cl, Br, and I) produces binuclear complexes, [Cu2(μ-X)2(MeCN){Fe(C5H4PR)2-κP,κP}] (8, X = Cl; 9, X = Br; 10, X = I) where the sulfur atom on one side of the ligand is involved in a weak interaction with the copper center. Reaction of 4 with 1 equiv of Ag(PPh3)OTf gives the mononuclear chelate complex [Ag(OTf)PPh3{Fe(C5H4PR)2-κP,κP}] (11), whereas treatment with 2 equiv of AuCl(SMe2) produces the dinuclear gold complex [Au(Cl){Fe(C5H4PR)2-κP,κP}Au(Cl)] (12). The crystal structures of 10 and 12 are reported, where a strong metallophilic interaction is observed between the closed-shell metal centers. The palladium complex 6 catalyzes the Suzuki cross-coupling reactions of aryl bromides with phenylboronic acid with excellent turnover numbers (TON up to 1.36 {\texttimes} 105).
}, doi = {10.1021/ic701537k}, author = {Punji, Benudhar and Mague, Joel T. and Balakrishna, Maravanji S.} } @article { ISI:000248795100038, title = {Titania nanoparticles synthesis in mesoporous molecular sieve MCM-41}, journal = {Journal of Colloid and Interface Science}, volume = {314}, number = {1}, year = {2007}, month = {OCT}, pages = {310-316}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Nanocrystalline titanium oxide (TiO2) is one of the most useful oxide material, because of its widespread applications in photocatalysis, solar energy conversion, sensors and optoelectronics. The control of particle size and monodispersity of TiO2 nanoparticles is a challenging task. The use of MCM-41, an inorganic template of uniform pore size (2-10 nm), can overcome this difficulty and produce stable nanoparticles of uniform size and shape. Here, we demonstrate the synthesis of titania nanoparticles inside the pores of silica based MCM-41 forming a TiO2/Si-MCM composite. Composites are formed in the alcoholic medium by incipient wetness impregnation method. Titania particles of average 3 nm size are obtained. Effect of silica and titania precursors on the quality of nanoparticles has been investigated. The characterization of titania-MCM-41 composites has been carried out using a variety of techniques like UV-vis absorption spectroscopy, X-ray diffraction, FT-IR spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscopy and photoluminescence spectroscopy. It has been found that the titania particles are co-ordinated with Si-MCM by Si-O-Ti covalent bond. (C) 2007 Elsevier Inc. All rights reserved.
}, keywords = {incipient wetness impregnation, Mesoporous material, template, titania}, issn = {0021-9797}, doi = {10.1016/j.jcis.2007.05.069}, author = {Lihitkar, N. B. and Abyaneh, Majid Kazemian and Samuel, V. and Pasricha, R. and Gosavi, S. W. and Kulkarni, S. K.} } @article {40}, title = {Toluene alkylation with methanol to p-xylene over heteropoly acids supported by clay}, journal = {Journal of Natural Gas Chemistry}, volume = {16}, number = {1}, year = {2007}, month = {MAR}, pages = {42-45}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{The alkylation of toluene with methanol for the selective formation of p-xylene was systematically studied. Very few studies have been reported on the use of superacids such as heteropolyacids on cheap supports, such as clay. This article deals with the use of different heteropoly acids (HPAs), viz, Dodeca-Tungstophosphoric acid [
}, keywords = {co-crystalline, p-xylene, toluene alkylation, ZSM-12, ZSM-5}, issn = {1003-9953}, doi = {10.1016/S1003-9953(07)60024-3}, author = {Bokade, Vijay V. and Deshpande, Suvarna S. and Patil, R. and Jain, S. and Yadav, G. D.} } @article {42816, title = {Total syntheses of schulzeines B and C}, journal = {Journal of Organic Chemistry}, volume = {72}, year = {2007}, month = {AUG}, pages = {6591-6594}, type = {Article}, abstract = {
Schulzeines B (2) and C (3) were synthesized by a convergent strategy using epimeric tricyclic lactam building blocks, 4 and 5, and the C28 fatty acid side chain 6. Syntheses of tricyclic lactams (4/5) were achieved by Bischler-Napieralski reaction. Sharpless asymmetric dihy-droxylation and BINAL-H-mediated asymmetric reduction of an enone was employed to prepare the key fatty acid side chain 6. The spectral as well as analytical data of 2 and 3 were in good agreement with the reported data for the natural products, thus confirming their assigned structures.
}, keywords = {Alpha-Glucosidase Inhibitors; Asymmetric Dihydroxylation; Adjuvant Activity; Pinellic Acid; Ketones; Reduction; Reagents; Configuration; Imbricatine;Alkaloids}, doi = {10.1021/jo070560h}, author = {Gurjar, Mukund K. and Pramanik, Chinmoy and Bhattasali, Debabrata and Ramana, Chepuri V. and Mohapatra, Debendra K.} } @article { ISI:000250836500003, title = {Total synthesis of (+)-camptothecin via an intramolecular palladium-catalyzed cyclization strategy}, journal = {Synlett}, number = {17}, year = {2007}, month = {OCT}, pages = {2635-2638}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
The novel cascade intramolecular Pd-catalyzed cyclization followed by aromatization for the construction Of D ring of (+)-camptothecin as a key step is demonstrated.
}, keywords = {alkaloids, antitumor, cyclizations, Natural products, Palladium}, issn = {0936-5214}, doi = {10.1055/s-2007-991054}, author = {Chavan, Subhash P. and Pathak, Ashok B. and Kalkote, Uttam R.} } @article { ISI:000243703200018, title = {Total synthesis of pachastrissamine (jaspine B) enantiomers from D-glucose}, journal = {Tetrahedron Letters}, volume = {48}, number = {2}, year = {2007}, month = {JAN}, pages = {265-268}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Synthesis of both enantiomers of pachastrissamine is described from a common chiral template. The stereoselective construction of the central tetrahydrofuran units was based on the pseudodesymmetrization of a pentodialdo-1,4-furanose derivative taking advantage of the latent symmetry present. (c) 2006 Published by Elsevier Ltd.
}, keywords = {4-furanose, chiron approach, Ohira-Bestmann reaction, pachastrissamine/jaspine B, pentodialdo-1, ring isomerization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.048}, author = {Ramana, C. V. and Giri, Awadut G. and Suryawanshi, Sharad B. and Gonnade, Rajesh G.} } @article { ISI:000247620500052, title = {Total synthesis of pulchellalactam via an RCM strategy}, journal = {Synthetic Communications}, volume = {37}, number = {7-9}, year = {2007}, month = {MAY}, pages = {1503-1510}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Total synthesis of (Z) pulchellalactam, a CD protein tyrosine phosphatase inhibitor, from commercially available methallyl chloride employing ring-closure metathesis (RCM) as a key step is described.
}, keywords = {alkaloid, Natural products, pulchellalactam, RCM, Total synthesis}, issn = {0039-7911}, doi = {10.1080/00397910701229131}, author = {Chavan, Subhash P. and Pathak, Ashok B. and Dhawane, Abasaheb N. and Kalkote, Uttam R.} } @article { ISI:000249308700005, title = {Towards the enantioselective synthesis of anti-HIV agents litseaverticillols C and K from D-glucose}, journal = {Tetrahedron}, volume = {63}, number = {12}, year = {2007}, month = {MAR}, pages = {2613-2621}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The first enantioselective synthesis towards the litseaverticillols C and K has been achieved, from D-glucose, using the ring closing metathesis (RCM) and Wittig reactions as key steps. (c) 2007 Elsevier Ltd. All rights reserved.
}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.01.037}, author = {Mohapatra, Debendra K. and Mondal, Dhananjoy and Guriar, Mukund K.} } @article { ISI:000249949800021, title = {Transesterification of alpha-haloesters and beta-ketoesters over Mg-Al-hydrotalcites (HT)-like anionic clays}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {276}, number = {1-2}, year = {2007}, month = {OCT}, pages = {158-161}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Transesterification of alpha-haloesters was achieved by reaction of alcohols in the presence of Mg-Al-HT-like anionic clays. beta-Ketoesters were also transesterified under similar conditions on reaction with alcohols with a wide variety of functional groups. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {alpha-haloesters, beta-ketoesters, heterogeneous catalyst, Hydrotalcites, transesterification}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.07.006}, author = {Bulbule, Vivek J. and Borate, Hanumant B. and Munot, Yogesh S. and Deshpande, Vishnu H. and Sawargave, Sangmeshwer P. and Gaikwad, Abaji G.} } @article { ISI:000249567000008, title = {Transport study on as-grown and cast films of electrogenerated poly(3-hexylthiophene)}, journal = {Materials Letter}, volume = {61}, number = {25}, year = {2007}, month = {OCT}, pages = {4687-4689}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Two kinds of poly(3-hexylthiophene) films with identical chemical compositions are prepared. One of the films is obtained by electropolymerization of 3-hexylthiophene (as-grown film) and the other is prepared by casting a solution dissolving the as-grown film (cast film). A clear difference is found in the mobility vs. doping level plots between the as-grown and cast films and its reason is discussed. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {mobility, poly(3-hexylthiophene), swelling, thin film, transport mechanism}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.03.010}, author = {Jiang, Xiaoqing and Harima, Yutaka and Patil, Rahul} } @article { ISI:000245519000057, title = {Tryptophan residue is identified in the substrate binding of penicillin G acylase from Kluyvera citrophila}, journal = {Enzyme and Microbial Technology}, volume = {40}, number = {5}, year = {2007}, month = {APR}, pages = {1389-1397}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Penicillin acylases are important enzymes in pharmaceutical industry for the production of semi-synthetic beta-lactam antibiotics via the key intermediate 6-aminopenicillanic acid. The penicillin G acylase purified from Kluyvera citrophila (KcPGA) on modification with tryptophan-specific reagents such as N-bromo succinamide (NBS) and 2-hydroxy 5-nitrobenzylbromide (HNBB) showed partial loss of activity and substrate protection. Various solute quenchers and substrate were used to probe the microenvironment of the putative reactive tryptophan through fluorescence quenching. Homology modeling of KcPGA structure has been carried out. Docking substrate on this modeled KcPGA structure identifies the tryptophan residue that is directly influenced by substrate binding. To confirm the biological significance of this particular tryptophan, we did a sequence comparison of PGAs from various organisms. The sequence alignment clustered the matches into two sets, those closer to (\> 40\% identical) KcPGA and had the tryptophan of interest present in them formed the first set, while those less identical (\< 30\%) to KcPGA and the particular tryptophan absent in them formed the second set. It is clear from the reported kinetic parameters of representative members of these two sets that the affinity for penicillin G (penG) of the former class is several times better. Thus, based on our studies we suggest that the tryptophan residue in the identified position is important for binding substrate penG by the acylases. (c) 2006 Elsevier Inc. All rights reserved.
}, keywords = {fluorescence measurement, K. citrophila, Penicillin G acylase, sequence alignment, substrate-docking, tryptophan modification}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2006.10.022}, author = {Kumar, R. Suresh and Prabhune, Asmita and Pundle, A. V. and Karthikeyan, Muthukumarasamy and Suresh, C. G.} } @conference { ISI:000291657600173, title = {Tungstophosphoric acid and zirconia supported on mesoporous silica catalyst in veratrole acetylation}, booktitle = {From ZEOLITES to Porous Mof Materials: The 40th Anniversary of International ZEOLITE Conference, Proceedings of The 15th International ZEOLITE Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1325-1330}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {
Tungstophosphoric acid (TPA) over zirconia dispersed uniformly in mesoporous silica (MS) channels of MCM-41 and MCM-48 was synthesised and tested for its catalytic activity in veratrole acetylation. Catalysts with different TPA loadings (5 to 50 wt.\%) on 22.4 wt.\% ZrO(2)/MCM-41 and 15 wt.\% TPA on different zirconia loadings (10-70 wt.\%)/MCM-41 were prepared and calcined at 1123 K. Catalysts were characterised by known techniques. Mesoporous silica supports play an important role in stabilising catalytically active TPA along with tetragonal phase of zirconia. Among the catalysts, 15 wt.\% TPA/22.4 wt.\% ZrO(2)/MCM-41 calcined at 1123 K was found to have the highest acidity and be at least four times more active than neat 15 wt.\% TPA/ZrO(2) in veratrole acetylation to acetoveratrone by acetic anhydride.
}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Halligudi, Shivaraj B.}, editor = {Xu, R. and Gao, Z. and Chen, J. and Yan, W.} } @article { ISI:000245961800012, title = {Tungstophosphoric acid supported on titania: a solid acid catalyst in benzylation of phenol with benzylalcohol}, journal = {Catalysis Communictions}, volume = {8}, number = {5}, year = {2007}, month = {MAY}, pages = {800-806}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{Benzylation of phenol with benzylalcohol was carried out in liquid phase over tungstophosphoric acid (TPA) supported on titania. The catalysts were prepared with different TPA (10-25\%) loading by wet impregnation method, were calcined at 700 degrees C and characterized by XRD, surface area, FTIR and acidity of the catalysts was measured by temperature programmed desorption of NH(3)-TPD, FTIR pyridine adsorption. The catalysts have been represented by a general formula as xPTiO(2)-Y (where x = wt\%
}, keywords = {benzyl ether, benzyl phenol, benzylalcohol, Heteropolyacid, phenyl benzyl ether, titania, tungstophosphoric acid}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.08.027}, author = {Kumbar, Suresh M. and Halligudi, Shivaraj B.} } @article { ISI:000244183400015, title = {Tungstophosphoric acid supported over zirconia in mesoporous channels of MCM-41 as catalyst in veratrole acetylation}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {262}, number = {1-2}, year = {2007}, month = {FEB}, pages = {98-108}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Tungstophosphoric acid (TPA) over zirconia dispersed uniformly in mesoporous silica (MS) channels of MCM-41 and MCM-48 were synthesized and tested for their catalytic activity in veratrole acetylation. Catalysts with different TPA loadings (5-50 wt.\%) on 22.4 wt.\%ZrO2/MCM-41 and 15 wt.\%TPA on different zirconia loadings (10-70 wt.\%)/MCM-41 were prepared and calcined at 1123 K. The physico-chemical characterization of the supported catalysts was done by powder X-ray diffraction (XRD), surface area measurement (BET), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transformed-infrared (FT-IR) spectroscopy, UV-vis diffuse reflectance spectra, Temperature programmed desorption (TPD) of ammonia, FT-IR pyridine adsorption and (31) P cross polarization-magic angle spinning (CP-MAS) NMR spectroscopy. The mesoporous silica supports play an important role in stabilizing catalytically active TPA along with tetragonal phase of zirconia. Among the catalysts, 15 wt.\%TPA/22.4 wt.\%ZrO2/MCM-41 calcined at 1123 K was found to have highest acidity and at least four times more active than neat 15 wt.\%TPA/ZrO2 in veratrole acetylation to acetoveratrone by acetic anhydride. Reaction conditions were evaluated with 15 wt.\%TPA/22.4 wt:\%ZrO2/MCM-41 calcined at 1123 K to get higher conversion of acetic anhydride to acetoveratrone. The reaction was found to be heterogeneously catalyzed and no contribution from homogeneous (leached) TPA into the medium under the reaction conditions. (c) 2006 Elsevier B.V. All rights reserved.
}, keywords = {acetoveratrone, acetylation, MCM-41, TPA/ZrO2, veratrole}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.08.027}, author = {Sawant, Dhanashri P. and Vinu, A. and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000244470700016, title = {Two new eudesmanolides from sphaeranthus indicus (Linn)}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {46}, number = {2}, year = {2007}, month = {FEB}, pages = {379-381}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
Two new eudesmanolides have been isolated from the aerial part of Sphaeranthus indicus and their structures have been established as 11 alpha,13-dihydro-3 alpha,7 alpha-dihydroxyeudesm-4-en 6 alpha, 12-olide 1, 4-en-6 beta,7 alpha-eudesmanolide 3, on the basis of spectral data and comparison of spectral data with those of reported data of compounds 2, 4 and 5.
}, keywords = {eudesmanolides, olide, Sphaeranthus indicus}, issn = {0376-4699}, author = {Jadhav, Ravindra B. and Sonawane, Kiran B. and Deshpande, Nirmala R. and Rojatkar, Supada R.} } @article { ISI:000248002800006, title = {Unprecedented two-dimensional polymeric [Zn(OOC-C6H4-COO)(2)](2_)(n)[+H3N-(CH2)(3)-NH(3])(+)n system bearing one-dimensional chain of zinc(II) bis(phthalate) dianions held by propane-1,3-diammonium cations: crystal structure, thermal and fluorescent pr}, journal = {Solid State Sciences}, volume = {9}, number = {6}, year = {2007}, month = {JUN}, pages = {491-495}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A novel zinc(II) phthalate compound, [Zn{C6H4(COO)(2)}(2)](n)(2-)[NH3-(CH2)(3)-NH3](n)(2+), 1 Which contains four different phthalate moieties coordinated to the Zn(II) ion through one each of their carboxyl ate moieties in a eta(1)-form and each phthalate moiety acting as a bridging unit with an overall tetrahedral geometry around the metal ion has been prepared and structurally characterized. The structure is unique in the sense that the dianionic moieties [Zn{C6H4(COO)(2)}(2)](2-) form an infinite one-dimensional network composed of 14-membered cyclic units interconnected in a way that they are disposed alternatively in almost perpendicular planes. The dicationic [NH3-(CH2)(3)-NH3](2+) units are seen to hold these one-dimensional chains by strong coulombic and hydrogen bond interaction, resulting in an infinite two-dimensional layered structure of 1. The compound is thermally stable up to 250 degrees C. Above this temperature it loses one equivalent of phthalate moiety along with the diammonium unit to yield Zn(II) phthalate. The thermodynamic and kinetic parameters associated with this process could be evaluated using Coats-Redfern equation which shows the activation energy Ea for the process as 305.0 kJ mol(-1), the frequency factor A as 1.49 x 10(11) s(-1) and the entropy change Delta S as -35.90 JK(-1) mol(-1). Fluorescent emission properties of 1 was studied by exciting the compound at 380 nm and also at 322 nm which were found to be the two lambda(max) corresponding to absorptions of the molecule. Interestingly, the compound gave same type of emission spectra showing a maximum around 444 nm on exciting at these two different wavelengths, indicating that the molecule comes to the first excited state from the higher excited state by a fast non-radiative process before it exhibits singlet emission to come to the ground state. (C) 2007 Elsevier Masson SAS. All rights reserved.
}, keywords = {1, 3-diammonium, cyclic chain, fluorescent emission, layered structure, propane, zinc(II) bis(phthalate) dianion, zinc-phthatate}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2007.04.009}, author = {Padmanabhan, A. and Joseph, K. C. and Puranik, Vedavati G. and Huang, Xiaoying and Li, Jing} } @article { ISI:000248376400006, title = {Unusual trisulphide linkage in bromine-thiourea reaction: crystal structure of formamidinium trisulphide complex with bromine}, journal = {Molecular Crystals and Liquid Crystals}, volume = {469}, year = {2007}, month = {SEP}, pages = {69+}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
{A new complex of formamidinium trisulphide with bromine has been synthesized. Single-crystal X-ray analysis of this compound revealed a novel trisulphide linkage in the formamidinium trisulphide moiety. The crystals belong to orthorhombic space group Fdd2 with a = 14.9119(15)
}, keywords = {bromine, crystal structure, formamidinium trisulphide, thiourea}, issn = {1542-1406}, doi = {10.1080/15421400701431265}, author = {Tol, Abhaya D. and Natu, Arun D. and Puranik, Vedavati G.} } @article { ISI:000248609900029, title = {Use of poly(o-toluidine)/ZrO2 nanocomposite coatings for the corrosion protection of mild steel}, journal = {Journal of Applied Polymer Science}, volume = {106}, number = {1}, year = {2007}, month = {OCT}, pages = {220-229}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
This study explored the possibility of using poly(o-toluidine) (POT)/ZrO2 nanocomposite coatings for the corrosion protection of mild steel in a chloride environment. POT/ZrO2 nanocomposite coatings were synthesized on steel substrates through an electrochemical route. These coatings were characterized with cyclic voltammetry, ultraviolet-visible absorption spectroscopy, Fourier transform infrared spectroscopy, scanning electron microscopy, and X-ray photoelectron spectroscopy. The performance of POT/ZrO2 nanocomposites as protective coatings against the corrosion of mild steel in aqueous 3 wt \% NaCl was evaluated with the potentiodynamic polarization technique and electrochemical impedance spectroscopy. The results of this study demonstrate that POT/ZrO2 nanocomposite coatings provide better protection for mild steel against corrosion than pure POT coatings. The corrosion potential was about 0.312 V versus a saturated calomel electrode, more positive in aqueous 3 wt \% NaCl for the nanocomposite-coated steel than the uncoated steel, and the corrosion rate of steel was reduced by a factor of almost 51. (c) 2007 Wiley Periodicals, Inc.
}, keywords = {Coatings, conjugated polymers, FTIR, Nanocomposites, synthesis}, issn = {0021-8995}, doi = {10.1002/app.26469}, author = {Chaudhari, Sudeshna and Patil, P. P. and Mandale, A. B. and Patil, K. R. and Sainkar, S. R.} } @article { ISI:000248860300003, title = {Using pseudo amino acid composition to predict protein subnuclear localization: approached with PSSM}, journal = {Pattern Recognition Letters}, volume = {28}, number = {13}, year = {2007}, month = {OCT}, pages = {1610-1615}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Identification of Nuclear protein localization assumes significance as it can provide in depth insight for genome regulation and function annotation of novel proteins. A multiclass SVM classifier with various input features was employed for nuclear protein compartment identification. The input features include factor solution scores and evolutionary information (position specific scoring matrix (PSSM) score) apart from conventional dipeptide composition and pseudo amino acid composition. All the SVM classifiers with different sets of input features performed better than the previously available prediction classifiers. The jack-knife success rate thus obtained on the benchmark dataset constructed by Shen and Chou [Shen, H.B., Chou, K.C., 2005, Predicting protein subnuclear location with optimized evidence-theoretic K-nearest classifier and pseudo amino acid composition. Biochem. Biophys. Res. Commun. 337, 752-756] is 71.23\%, indicating that the novel pseudo amino acid composition approach with PSSM and SVM classifier is very promising and may at least play a complimentary role to the existing methods. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {factor solution score, multiclass SVM, nuclear protein, PSSM, subnuclear localization}, issn = {0167-8655}, doi = {10.1016/j.patrec.2007.04.001}, author = {Mundra, Piyushkumar and Kumar, Madhan and Kumar, K. Krishna and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000250986500008, title = {Using recurrence quantification analysis descriptors for protein sequence classification with support vector machines}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {25}, number = {3}, year = {2007}, month = {DEC}, pages = {289-297}, publisher = {ADENINE PRESS}, type = {Article}, address = {2066 CENTRAL AVE, SCHENECTADY, NY 12304 USA}, abstract = {
In this work, we integrate a non-linear signal analysis method, recurrence quantification analysis (RQA), with the well-known machine-learning algorithm, support vector machines for the binary classification of protein sequences. Two different classification problems were selected, discriminating between aggregating and non-aggregating proteins and mostly disordered and completely ordered proteins, respectively. It has also been shown that classification performance of SVM models improve on selection of the most informative RQA descriptors as SVM input features.
}, issn = {0739-1102}, author = {Mitra, Joydeep and Mundra, Piyushkumar and Kulkarni, B. D. and Jayaraman, Valadi K.} } @article { ISI:000244008300031, title = {Varistors based on Ta-doped TiO2}, journal = {Ceramics International}, volume = {33}, number = {2}, year = {2007}, month = {MAR}, pages = {301-303}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The nonlinear current (I)-voltage (V) characteristics of titanium dioxide are examined when doped with small quantities (0.05-0.5 at.\%) of tantalum pentaoxide. For optimum compositions, the nonlinear coefficients are found to be in the range of 25-30 and the breakdown field strength (EB) is similar to 4000 V/cm. The obtained alpha- and E-B-values are higher than the previously reported values for TiO2 ceramics. The acceptor like surface states at the grain boundary adsorb oxygen during sintering and cooling, leading to formation of grain boundary barrier. The grain boundary barrier height (OB) is calculated using Schottky equation. (c) 2005 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {Ceramics, Oxides, Schottky barrier, TiO2, varistor}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2005.07.026}, author = {Navale, S. C. and Murugan, A. Vadivel and Ravi, V.} } @article {42611, title = {Velocity correlations in dense granular flows observed with internal imaging}, journal = {Physical Review Letters}, volume = {98}, year = {2007}, month = {JUN}, pages = {238001}, type = {Article}, abstract = {
We show that the velocity correlations in uniform dense granular flows inside a silo are similar to the hydrodynamic response of an elastic hard-sphere liquid. The measurements are made using a fluorescent refractive-index-matched interstitial fluid in a regime where the flow is dominated by grains in enduring contact and fluctuations scale with the distance traveled, independent of flow rate. The velocity autocorrelation function of the grains in the bulk shows a negative correlation at short time and slow oscillatory decay to zero similar to simple liquids. Weak spatial velocity correlations are observed over several grain diameters. The mean square displacements show an inflection point indicative of caging dynamics. The observed correlations are qualitatively different at the boundaries.
}, doi = {10.1103/PhysRevLett.98.238001}, author = {Orpe, Ashish V. and Kudrolli, Arshad} } @article { ISI:000251868800001, title = {Versatile method for the preparation of conjugates of peptides with DNA/PNA/analog by employing chemo-selective click reaction in water}, journal = {Nucleic Acids Research}, volume = {35}, number = {21}, year = {2007}, month = {DEC}, pages = {e139}, publisher = {OXFORD UNIV PRESS}, type = {Article}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {
The specific 1,3 dipolar Hisgen cycloaddition reaction known as {\textquoteleft}click-reaction{\textquoteright} between azide and alkyne groups is employed for the synthesis of peptideoligonucleotide conjugates. The peptide nucleic acids (PNA)/DNA and peptides may be appended either by azide or alkyne groups. The cycloaddition reaction between the azide and alkyne appended substrates allows the synthesis of the desired conjugates in high purity and yields irrespective of the sequence and functional groups on either of the two substrates. The versatile approach could also be employed to generate the conjugates of peptides with thioacetamido nucleic acid (TANA) analog. The click reaction is catalyzed by Cu (I) in either water or in organic medium. In water, similar to 3-fold excess of the peptide-alkyne/azide drives the reaction to completion in 2 h with no side products.
}, issn = {0305-1048}, doi = {10.1093/nar/gkm935}, author = {Gogoi, Khirud and Mane, Meenakshi V. and Kunte, Sunita S. and Kumar, Vaijayanti A.} } @article { ISI:000244006300011, title = {Water-triggered frontal polymerization}, journal = {Macromolecular Rapid Communications}, volume = {28}, number = {1}, year = {2007}, month = {JAN}, pages = {109-115}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
A totally new mode of frontal polymerization (FP) of acrylamide is established which is triggered by the simple addition of a minute, specific volume of water. Experimental conditions under which this mode of polymerization yields linear and water-soluble polyacrylamide were carefully established, paving the way to synthesize commercially pertinent homo- and copolymers. A new redox couple was identified to circumvent the imidization and the ensuing gelation, hitherto associated with FP of acrylamide. Effects of reaction variables such as type and concentration of redox couple and volume of water on measurable parameters of FP such as front velocity, front temperature, shape of front and yield have been studied. Two types of redox couples are reported. Nonplanar frontal regime was observed in few redox couples. We could visually observe helical patterns with naked eyes, while layered patterns were observable under SEM. Additionally, micro-phase separation and heterogeneity in the polymer matrix was observed due to unreacted pockets of monomer which evolve via bulk mode. This nonlinear phenomenon is described.
}, issn = {1022-1336}, doi = {10.1002/marc.200600572}, author = {Pujari, Narahari S. and Inamdar, Satish R. and Ponrathnam, Surendra and Kulkarni, Bhaskar D.} } @article { ISI:000245736400045, title = {Zirconia enrichment in zircon sand by selective fungus-mediated bioleaching of silica}, journal = {Langmuir}, volume = {23}, number = {9}, year = {2007}, month = {APR}, pages = {4993-4998}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
One of the important routes for the production of zirconia is by chemical treatment and removal of silica from zircon sand (ZrSixOy). We present here a completely green chemistry approach toward enrichment of zirconia in zircon sand; this is based on the reaction of the fungus Fusarium oxysporum with zircon sand by a process of selective extracellular bioleaching of silica nanoparticles. Since this reaction does not result in zirconia being simultaneously leached out from the sand, there is a consequent enrichment of the zirconia component in zircon sand. We believe that fungal enzymes specifically hydrolyze the silicates present in the sand to form silicic acid, which on condensation by certain other fungal enzymes results in room-temperature synthesis of silica nanoparticles. This fungus-mediated twofold approach might have vast commercial implications in low-cost, ecofriendly, room-temperature syntheses of technologically important oxide nanomaterials from potentially cheap naturally available raw materials like zircon sand.
}, issn = {0743-7463}, doi = {10.1021/la062535x}, author = {Bansal, Vipul and Syed, Asad and Bhargava, Suresh Kumar and Ahmad, Absar and Sastry, Murali} } @article { ISI:000253061900009, title = {[2+2+2]-cyclotrimerization approach for the synthesis of enantiopure isochromans using a carbohydrate derived dialkyne template}, journal = {Tetrahedron Letters}, volume = {49}, number = {3}, year = {2008}, month = {JAN}, pages = {445-448}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An easy access to enantiopure isochromans through cross alkyne trimerization of a glucose derived dialkyne was developed. One of the synthesized isochromans was converted into a novel tricyclic nucleoside by simple transformations. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {isochroman, tricyclic nucleoside, Vorbruggen reaction, Wilkinson{\textquoteright}s catalyst, [2+2+2]-Cyclotrimerization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.11.103}, author = {Ramana, C. V. and Suryawanshi, Sharad B.} } @article { ISI:000254804700001, title = {2(7-3) fractional factorial optimization of polybenzimidazole based membrane electrode assemblies for H-2/O-2 fuel cells}, journal = {Journal of Applied Electrochemistry}, volume = {38}, number = {5}, year = {2008}, month = {MAY}, pages = {583-590}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
We describe the usefulness of a statistical fractional factorial design to obtain consistent and reproducible behavior of a membrane-electrode-assembly (MEA) based on a phosphoric acid (PA) doped polybenzimidazole (PBI) membrane, which allows a H-2/O-2 fuel cell to operate above 150 degrees C. Different parameters involved during the MEA fabrication including the catalyst loading, amount of binder, processing conditions like temperature and compaction load and also the amount of carbon in the gas diffusion layers (GDL) have been systematically varied according to a 2(7-3) fractional factorial design and the data thus obtained have been analyzed using Yates{\textquoteright}s algorithm. The mean effects estimated in this way suggest the crucial role played by carbon loading in the gas diffusion layer, hot compaction temperature and the binder to catalyst ratio in the catalyst layer for enabling continuous performance. These statistically designed electrodes provide a maximum current density and power density of 1,800 mA cm(-2) and 280 mW cm(-2), respectively, at 160 degrees C using hydrogen and oxygen under ambient pressure.
}, keywords = {Carbon loading, Fractional factorial optimization, MEA, PBI, PEMFC}, issn = {0021-891X}, doi = {10.1007/s10800-007-9475-1}, author = {Kannan, Ramaiyan and Islam, Md. Nazrul and Rathod, D. and Vijay, M. and Kharul, Ulhas K. and Ghosh, P. C. and Vijayamohanan, K.} } @article { ISI:000257172700016, title = {Accumulation of cadmium in growing peanut (Arachis hypogaea L.) seedlings - its effect on lipid peroxidation and on the antioxidative enzymes catalase and gualacol peroxidase}, journal = {Journal of Plant Nutrition and Soil Science}, volume = {171}, number = {3}, year = {2008}, month = {JUN}, pages = {440-447}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
In plants exposed to high metal concentrations, mechanisms to counteract the oxidative burst are crucial for its survival. To investigate the temporal sequence of physiological reactions of peanut seedlings (Arachis hypogaea L.) to cadmium exposure, seeds were cultured in increasing concentrations of CdCl(2), ranging from 50 to 300 mu M. Germination frequency was scored, and the distributions of Cd in root, stem, and leaves were determined after 2 and 4 weeks of culture. Lipid peroxidation and activities of antioxidative enzymes including catalase (CAT, EC 1.11.1.6) and guaiacol peroxiclase (GPX; EC 1.11.1.7) were estimated in these three parts of the plant. Germination of seedlings was not affected, but the growth of seedlings was severely suppressed with increasing concentrations of CdCl(2) and incubation period. Pattern of Cd distribution in the three organs varied with concentration and period of exposure to Cd. Increased lipid peroxidation was detected in all parts of the developing seedlings with increasing metal accumulation. Catalase and guaiacol peroxidase activity varied in the three parts of the seedlings with concentration of Cd and incubation period. Guaiacol peroxidase activity appears to be more active in scavenging the reactive oxygen species in developing peanut seedlings. The results of the present experiment demonstrate the advantages of a tissue-culture model system in studying the complex network of interactions of various factors in stress tolerance.
}, keywords = {Abiotic stress, heavy metal, stress tolerance, TBARS, thiobarbituric acid, Tissue culture}, issn = {1436-8730}, doi = {10.1002/jpln.200700083}, author = {Kumar, Sunil and Mehta, Urmil J. and Hazra, Sulekha} } @article { ISI:000260978000002, title = {Active sites in vanadia/titania catalysts for selective aerial oxidation of beta-picoline to nicotinic acid}, journal = {Journal of Catalysis}, volume = {259}, number = {2}, year = {2008}, month = {OCT}, pages = {165-173}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Vanadia/titania catalysts with varying vanadium content were prepared by impregnation using three different titania carrier materials of varying surface area, The structure of active vanadium species for beta-picoline oxidation was investigated. Vanadium is mainly in the +5 oxidation state as revealed by electron paramagnetic resonance (EPR) and V-51 magic-angle spinning nuclear magnetic resonance (V-51 MAS NMR) spectroscopy techniques. Diffuse reflectance UV-visible (DRUV-vis) spectroscopy and spectral deconvolution enabled identification of at least five different types of vanadium oxide species in these catalysts: monomeric tetrahedral VO43-, polymeric distorted tetrahedral VO3-, square pyramidal V2O5, octahedral V2O62- and V4+ oxide species. While both VO43- and VO3- species are active in beta-picoline oxidation, the latter having a distorted tetrahedral geometry yielded the desired products-picolinaldehyde and nicotinic acid. High surface area, anatase structure for the support and dispersed, distorted tetrahedral vanadium oxide species are the key parameters determining the activity and selectivity of these oxidation catalysts. (C) 2008 Elsevier Inc. All rights reserved.
}, keywords = {Active vanadium species, Nicotinic acid, Oxidation of beta-picoline, Selective aerial oxidation, Spectroscopic investigations, Vanadia/titania}, issn = {0021-9517}, doi = {10.1016/j.jcat.2008.07.019}, author = {Srinivas, Darbha and Hoelderich, Wolfgang F. and Kujath, Steffen and Valkenberg, Michael H. and Raja, Thirumalaiswamy and Saikia, Lakshi and Hinze, Ramona and Ramaswamy, Veda} } @article { ISI:000257637000008, title = {Adsorption of fluoride ions by Zn-Al layered double hydroxides}, journal = {Applied Clay Science}, volume = {40}, number = {1-4}, year = {2008}, month = {JUN}, pages = {54-62}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Zn-Al layered double hydroxides (LDHs) with different molar ratios Zn/Al (0, 0.17, 0.34, 0.97, 3.47, proportional to) were prepared by the co-precipitation of chlorides, characterized and evaluated for their fluoride adsorption at room temperature from aqueous solutions. The fluoride adsorption of the as-synthesized LDHs was influenced by the chemical composition of the LDHs and ZA-11 (Zn/Al = 0.97) had the highest capacity for fluoride adsorption (1.14-4.16 mg/g). The adsorption increased after calcination of the LDH up to 500 degrees C. The equilibrium data were fitted to the Freundlich, Langmuir, and Temkin equations. The kinetics of fluoride adsorption followed the pseudo-second order model. (C) 2007 Elsevier B.V All rights reserved.
}, keywords = {Adsorption, Anionic clay, Fluoride, Layered double hydroxide}, issn = {0169-1317}, doi = {10.1016/j.clay.2007.07.004}, author = {Mandal, Sujata and Mayadevi, S.} } @article { ISI:000258460400012, title = {Adsorption of sulfonated dyes by polyaniline emeraldine salt and its kinetics}, journal = {Journal of Physical Chemistry B}, volume = {112}, number = {33}, year = {2008}, month = {AUG}, pages = {10153-10157}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A method for the removal of anionic (sulfonated) dyes from aqueous dye solutions using the chemical interaction of dye molecules with polyaniline is reported. Polyaniline (PANI) emeraldine salt was synthesized by chemical oxidation. Sulfonated dyes undergo chemical interactions with the charged backbone of PANI, leading to significant adsorption of the dyes. This phenomenon of selective adsorption of the dyes by PANI is reported for the first time and promises a green method for removal of sulfonated organics from wastewater. The experimental observations from UV-vis spectroscopy, X-ray diffraction, and conductivity measurements rule out the possibility of secondary doping of polyaniline salt by sulfonated dye molecules. A possible mechanism for the chemical interaction between the polymer and the sulfortated dye molecules is proposed. The kinetic parameters for the adsorption of sulfonated dyes on PANI are also reported.
}, issn = {1520-6106}, doi = {10.1021/jp803903x}, author = {Mahanta, Debajyoti and Madras, Giridhar and Radhakrishnan, S. and Patil, Satish} } @article { ISI:000259509600003, title = {Albumin competitively inhibits glycation of less abundant proteins}, journal = {Protein and Peptide Letters}, volume = {15}, number = {7}, year = {2008}, month = {JUL}, pages = {663-667}, publisher = {BENTHAM SCIENCE PUBL LTD}, type = {Article}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Glycation, a non-enzymatic reaction between glucose and protein is the primary cause of diabetic complications. Albumin, the most abundant plasma protein undergoes glycation both in vivo and in vitro. The influence of albumin on glycation of less abundant proteins has not been addressed. For the first time, we show that albumin competitively inhibits the glycation of less abundant proteins. This study suggests that at least in the initial stages of diabetes, albumin may protect other proteins from glycation.
}, keywords = {Diabetes, glucose, insulin, MALDI-TOF-MS, vascular complication}, issn = {0929-8665}, doi = {10.2174/092986608785133690}, author = {Bhonsle, Hemangi S. and Singh, Sameer Kumar and Srivastava, Ghanshyam and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000253450900068, title = {Alkene epoxidation catalyzed by vanadomolybdophosphoric acids supported on hydrated titania}, journal = {Catalysis Communications}, volume = {9}, number = {5}, year = {2008}, month = {MAR}, pages = {931-938}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Vanadomolybdophosphoric acids wet-impregnated oil hydrated titania (TiO(2) - xH(2)O), make ail efficient catalytic system for the epoxidation of a variety of alkenes with organic solvent extracted TBHP as the oxidant. By,in appropriate choice of solvent, the catalyst call be reused at least three times without much loss in the activity for subsequent runs. XRD shows that the heteropoly acid is uniformly dispersed over the support and up to 15 wt\% loading of the heteropoly acid, no additional peak of the same call be seen in the XRD pattern of the catalyst. The reactivity varied with the nature of alkene but the major product was always the corresponding epoxide. The catalytic system is free of high temperature calcination steps and tedious multi-step procedures, normally encountered in the heter-ogenization of heteropoly acids. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {alkenes, epoxidation, heteropoly acids, TBHP, titania, vanadomolybdophosphoric acids}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.09.022}, author = {Ingle, Rohit H. and Vinu, A. and Halligudi, Shivaraj B.} } @article { ISI:000255318800025, title = {Amberlite-IR 120 catalyzed three-component synthesis of alpha-amino phosphonates in one-pot}, journal = {Tetrahedron Letters}, volume = {49}, number = {16}, year = {2008}, month = {APR}, pages = {2598-2601}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple, efficient, and environmentally benign method for a three-component reaction of an amine, an aldehyde or a ketone, and diethyl phosphite catalyzed by Amberlite-IR 120 resin has been developed to afford alpha-amino phosphonates in high yields and short reaction times under solvent-free reaction conditions. The major advantages of the present method are good yields, inexpensive, ecofriendly and reusable catalyst, mild and solvent-free reaction conditions and tolerance towards various functionalities present in the substrates. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {aldehydes, alkyl phosphite, alpha-amino phosphonates, amines, ion-exchange resin, multi-component reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.02.102}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C.} } @article { ISI:000256583100002, title = {Analysis of reactive oxygen species and antioxidant defenses in complex I deficient patients revealed a specific increase in superoxide dismutase activity}, journal = {Free Radical Research}, volume = {42}, number = {5}, year = {2008}, month = {MAY}, pages = {415-427}, publisher = {INFORMA HEALTHCARE}, type = {Article}, address = {TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND}, abstract = {
The mechanism of free radical production by complex I deficiency is ill-defined, although it is of significant contemporary interest. This study studied the ROS production and antioxidant defenses in children with mitochondrial NADH dehydrogenase deficiency. ROS production has remained significantly elevated in patients compared to controls. The expression of all antioxidant enzymes significantly increased at mRNA level. However, the enzyme activities did not correlate with high mRNA or protein expression. Only the activity of superoxide dismutase (SOD) was found to correlate with higher mRNA expression in patient derived cell lines. The activities of the enzymes such as glutathione peroxidase (GPx), Catalase (CAT) and glutathione-S-transferase (GST) were significantly reduced in patients (p \< 0.05 or p \< 0.01). Glutathione reductase (GR) activity and intracellular glutathione (GSH) levels were not changed. Decreased enzyme activities could be due to post-translational or oxidative modification of ROS scavenging enzymes. The information on the status of ROS and marking the alteration of ROS scavenging enzymes in peripheral lymphocytes or lymphoblast cell lines will provide a better way to design antioxidant therapies for such disorders.
}, keywords = {antioxidant enzymes, mitochondrial complex I, mitochondrial myopathies, Reactive Oxygen Species (ROS)}, issn = {1071-5762}, doi = {10.1080/10715760802068571}, author = {Wani, Aijaz A. and Rangrez, Ashraf Y. and Kumar, Himanshu and Bapat, Sharmila A. and Suresh, C. G. and Barnabas, Shama and Patole, Milind S. and Shouche, Yogesh} } @article { ISI:000252284200102, title = {Anomalous microwave heating effects in Ce-doped La(0.7)Sr(0.3)MnO(3): possible role of grain boundary capacitative effects across cerium solubility limit}, journal = {Applied Physics Letters}, volume = {92}, number = {1}, year = {2008}, month = {JAN}, pages = {Article No. 012512}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Ce-doped manganite bulk nanocompacts [La(0.7-x)Ce(x)Sr(0.3)MnO(3) (0 \< x \< 0.1)] are studied for their microwave heating properties at 2.45 GHz. The heating effect is found to be nonmonotonic as a function of cerium concentration, and anomalously large heating (burning) is observed for a small concentration window near x=0.03. The x-ray diffraction studies show signatures of CeO(2) phase in x\>0.03 samples. The various characterizations collectively point to the key role of the developing grain boundary CeO(2) layer which leads to highest capacitative intergrain-coupling and related charging-discharging effects when it is thinnest near the apparent Ce solubility limit of x similar to 0.03. (c) 2008 American Institute of Physics.
}, issn = {0003-6951}, doi = {10.1063/1.2827184}, author = {Kale, Sangeeta N. and Mona, J. and Lofland, S. E. and Kulkarni, S. D. and Ogale, Satishchandra B.} } @article { ISI:000258784000005, title = {Antibacterial activity of synthesized 2,4,5-trisubstituted imidazole derivatives}, journal = {Chemical Biology \& Drug Design}, volume = {72}, number = {3}, year = {2008}, month = {SEP}, pages = {197-204}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Some novel chemically synthesized 2,4,5-trisubstituted imidazoles from aryl aldehydes and 1,2-diketones or alpha-hydroxyketone were screened against eight different human pathogenic bacteria and fungi. Seven compounds were found to be active against different bacteria. These compounds showed variation in activity and were found to be active against Gram-positive as well as Gram-negative bacteria. Compound 4-(4,5-diphenyl-1H-imidazol-2-yl)-phenol, 3d was the only compound which showed activity against Klebsiella pneumoniae while rest of the compounds did not show significant activity against this micro-organism. Minimum inhibitory concentrations of the compounds were in the range of 0.50 to 6.1 mu g/mL and minimum bactericidal concentration ranges from 1.11 to 12.9 mu g/mL. The candidature of active compounds to be an effective and novel drug was examined based on Lipinski{\textquoteright}s rule of Five which explained ClogP, LogS, H-bond acceptors, H-Bond donors and rotational bonds. Compounds 3a-d and 3f satisfies Lipinski{\textquoteright}s rule of Five and could be proposed as potent new antibacterial drugs.
}, keywords = {1, 2, 2-Diketones, 4, 5-trisubstituted imidazoles, alpha-hydroxyketone, antibacterial activity, aryl aldehydes}, issn = {1747-0277}, doi = {10.1111/j.1747-0285.2008.00691.x}, author = {Khan, Mohd Sajid and Siddiqui, Shafi Ahmad and Siddiqui, Mohammad Shaik Rafi Ahmad and Goswami, Usha and Srinivasan, Kumar Venkatraman and Khan, Mohammad Islam} } @article { ISI:000255318800037, title = {Asymmetric synthesis of (S)-vigabatrin (R) and (S)-dihydrokavain via cobalt catalyzed hydrolytic kinetic resolution of epoxides}, journal = {Tetrahedron Letters}, volume = {49}, number = {16}, year = {2008}, month = {APR}, pages = {2646-2648}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A concise route to the asymmetric synthesis of (S)-vigabatrin(R) and (S)-dihydrokavain has been described using Co-catalyzed hydrolytic kinetic resolution of racemic epoxides and regiospecific opening of terminal epoxides with dimethylsulfonium methylide as the key steps. (C) 2008 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.02.064}, author = {Raj, I. Victor Paul and Sudalai, A.} } @article { ISI:000255661000004, title = {Atomic sizes and atomic properties}, journal = {Journal of Physics B-Atomic Molecular and Optical Physics}, volume = {41}, number = {10}, year = {2008}, month = {MAY}, pages = {105002}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
We examine the dependence of atomic properties on a new atomic size, r(n)(Z)(c), that has been rigorously defined by the presence of an interaction without depending on the strength or nature of the interaction. We have thus related the static dielectric polarizability radius, r(alpha), the inverse of the first ionization potential, I(-1), the inverse of Pauling electronegativity scale, chi(-1)(P) and the size CR of atoms that contribute to interatomic distance involving atoms of the main group elements in the periodic table. There is a linear relationship between r(n)(Z)(c) and a size-dependent atomic property P of the form P = C(P)r(atom) + D(P), where r(atom) is a simple and transparent function of r(n)(Z)(c) and DP is simply related to the property of the hydrogen atom, except for P = I(-1) when DP is a property of the occupancy of the valence s-and p-electrons. We find a strict criterion for metallicity in elements based on atomic sizes and show how this criterion can be used to account for changes in descriptions of interatomic distance for gas-phase MX compounds of metallic elements.
}, issn = {0953-4075}, doi = {10.1088/0953-4075/41/10/105002}, author = {Ganguly, P.} } @article { ISI:000252860400082, title = {Au-ZnO: a tunable localized surface plasmonic nanocomposite}, journal = {Applied Physics Letters}, volume = {92}, number = {4}, year = {2008}, month = {JAN}, pages = {043107}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
In this letter, we report the thermal processing controlled tunability of localized surface plasmon resonance (LSPR) of Au nanoparticles embedded in ZnO matrix. Au-ZnO nanocomposite films were prepared by atom beam cosputtering and were annealed from 200 to 600 degrees C in Ar. A regular redshift similar to 110 nm (from 505 to 615 nm) in LSPR peak with increase in annealing temperature up to 600 degrees C is observed. Transmission electron microscopy results confirm the formation of Au nanoparticles supported by ZnO nanorods at annealing temperature of 600 degrees C. The Au-ZnO nanocomposite exhibits significant enhancement in the Raman signal for C(70) molecules. (C) 2008 American Institute of Physics.
}, issn = {0003-6951}, doi = {10.1063/1.2838302}, author = {Mishra, Y. K. and Mohapatra, S. and Singhal, R. and Avasthi, D. K. and Agarwal, Dinesh C. and Ogale, S. B.} } @article { ISI:000257271600057, title = {Bacterial synthesis of copper/copper oxide nanoparticles}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {6}, year = {2008}, month = {JUN}, pages = {3191-3196}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
A bacterial mediated synthesis of copper/copper oxide nanoparticle composite is reported. A Gram-negative bacterium belonging to the genus Serratia was isolated from the midgut of Stibara sp., an insect of the Cerambycidae family of beetles found in the Northwestern Ghats of India. This is a unique bacterium that is quite specific for the synthesis of copper oxide nanoparticles as several other strains isolated from the same insect and common Indian mosquitoes did not result in nanoparticle formation. By following the reaction systematically, we could delineate that the nanoparticle formation occurs intracellularly. However, the process results in the killing of bacterial cells. Subsequently the nanoparticles leak out as the cell wall disintegrates. The nanoparticles formed are thoroughly characterized by UV-Vis, TEM, XRD, XPS and FTIR studies.
}, keywords = {bacterial synthesis, Nanoparticles, TEM, XPS, XRD}, issn = {1533-4880}, doi = {10.1166/jnn.2008.095}, author = {Hasan, Syed Saif and Singh, Sanjay and Parikh, Rasesh Y. and Dharne, Mahesh S. and Patole, Milind S. and Bhagavatula L. V. Prasad and Shouche, Yogesh S.} } @article { ISI:000256073500012, title = {Bacterial synthesis of silicon/silica nanocomposites}, journal = {Journal of Materials Chemistry}, volume = {18}, number = {22}, year = {2008}, month = {APR}, pages = {2601-2606}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The synthesis of silicon/silica nanoparticle composites by the bacterium Actinobacter sp. is demonstrated. More specifically, the formation of silicon/silica nanocomposite is shown to occur when the bacterium is exposed to K(2)SiF(6) precursor under ambient conditions. Based on the earlier reports where this bacterium has been shown to synthesize iron oxide and iron sulfide nanoparticles, it is hypothesized that this bacterium secretes reductases and oxidising enzymes, which lead to the Si/SiO(2) nanocomposite synthesis. The particles obtained by bacterial synthesis were thoroughly characterized. The cytotoxicity studies revealed that the particles do not display any cytotoxicity to human skin cells. The synthesis of silica nanoparticles by bacteria in the present study demonstrates the versatility of the organism, and the formation of elemental silicon by this environmentally friendly process expands further the scope of microorganism based nanomaterial synthesis.
}, issn = {0959-9428}, doi = {10.1039/b719528a}, author = {Singh, Sanjay and Bhatta, Umananda M. and Satyam, P. V. and Dhawan, Alok and Sastry, Murali and Bhagavatula L. V. Prasad} } @article { ISI:000256232900024, title = {Bacteria-mediated precursor-dependent biosynthesis of superparamagnetic iron oxide and iron sulfide nanoparticles}, journal = {Langmuir}, volume = {24}, number = {11}, year = {2008}, month = {JUN}, pages = {5787-5794}, publisher = {AMER CHEMICAL SOC}, type = {Article}, chapter = { }, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The bacterium Actinobacter sp. has been shown to be capable of extracellularly synthesizing iron based magnetic nanoparticles, namely maghemite (gamma-Fe2O3) and greigite (Fe3S4) Under ambient conditions depending on the nature of precursors used. More precisely, the bacterium synthesized maghemite when reacted with ferric chloride and iron sulfide when exposed to the aqueous solution of ferric chloride-ferrous sulfate. Challenging the bacterium with different metal ions resulted in induction of different proteins, which bring about the specific biochemical transformations in each case leading to the observed products. Maghemite and iron sulfide nanoparticles show superparamagnetic characteristics as expected. Compared to the earlier reports of magnetite and greigite synthesis by magnetotactic bacteria and iron reducing bacteria, which take place strictly under anaerobic conditions, the present procedure offers significant advancement since the reaction occurs under aerobic condition. Moreover, reaction end products can be tuned by the choice of precursors used.
}, issn = {0743-7463}, doi = {10.1021/la704019p}, author = {Bharde, Atul A. and Parikh, Rasesh Y. and Baidakova, Marina and Jouen, Samuel and Hannoyer, Beatrice and Enoki, Toshiaki and Bhagavatula L. V. Prasad and Shouche, Yogesh S. and Ogale, Satishchandra B. and Sastry, Murali} } @article { ISI:000257626900005, title = {Bactericidal activity of 2-nitroimidazole against the active replicating stage of mycobacterium bovis BCG and mycobacterium tuberculosis with intracellular efficacy in THP-1 macrophages}, journal = {International Journal of Antimicrobial Agents}, volume = {32}, number = {1}, year = {2008}, month = {JUL}, pages = {40-45}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
This study evaluated the antituberculous potential of 2-nitroimidazole under in vitro conditions. Minimal bactericidal concentrations of the compound against actively replicating Mycobacterium bovis BCG and Mycobacterium tuberculosis H37Ra were found to be 0.226 mu g/mL and 0.556 mu g/mL in enriched and minimal medium, respectively. Minimal inhibitory concentrations were \> 100 times lower than reported antituberculous nitroimidazoles such as nitrofurantoin and furaltadone, indicating the greater potential of 2-nitroimidazole. No discernible effect of 2-nitroimidazole was seen on saprophytic Mycobacterium smegmatis and the representative bacterial strain Escherichia coli DH5 alpha, indicating the specificity of the molecule against tuberculous mycobacteria. The compound was also found to be effective against M. tuberculosis in the intracellular environment of the human monocytic cell line THP-1, with a reduction in viability of bacilli by 2.5 log after 144 h of incubation at a concentration of 0.113 mu g/mL. A five-fold higher concentration (0.565 mu g/mL) of 2-nitroimidazole sterilised the macrophages of intracellular pathogens within 192 h, without affecting the host. However, 2-nitroimidazole was unable to affect significantly the viability of dormant non-replicating bacilli of M. bovis BCG and M. tuberculosis in Wayne{\textquoteright}s in vitro model. Overall, the results indicate that 2-nitroimidazole is a potent antituberculous agent active against the organism{\textquoteright}s active replicating stage, with promising intracellular efficacy as well. (c) 2008 Elsevier B.V. and the International Society of Chemotherapy. All rights reserved.
}, keywords = {2-nitroimidazole, antimycobacterial agents, nitroimidazoles, THP-1 macrophage, tuberculosis}, issn = {0924-8579}, doi = {10.1016/j.ijantimicag.2008.02.022}, author = {Khan, Arshad and Sarkar, Sampa and Sarkar, Dhiman} } @article { ISI:000259888700043, title = {Biocomposites of cellulose reinforced starch: improvement of properties by photo-induced crosslinking}, journal = {Bioresource Technology}, volume = {99}, number = {18}, year = {2008}, month = {DEC}, pages = {8803-8809}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
In the present study, the composite films have been prepared from the aqueous dispersions of starch with microcrystalline cellulose using glycerol as plasticizer and irradiated under ultraviolet (UV) light using sodium benzoate as photo-sensitizer. Photocrosslinking was characterized by measuring the water absorption under 100\% relative humidity, swelling degree and gel fraction in dimethylsulphoxide (DMSC), upon irradiation time. Both, the incorporation of cellulose and photo-irradiation were found to decrease the water absorption, swelling in DMSO and increase the gel fraction. Thermal transitions indicated the anti-plasticization of amylopectin chains at the fiber/matrix interface. With increasing content of cellulose and photo-irradiation time, the tensile modulus and strength were found to improve. It is summarized that the combination of cellulose reinforcement and photo-crosslinking of matrix has improved the physical and mechanical properties. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Biocomposites, cellulose, Photo-irradiation and crosslinking, Starch}, issn = {0960-8524}, doi = {10.1016/j.biortech.2008.04.045}, author = {Kumar, Annamalai Pratheep and Singh, Raj Pal} } @proceedings { ISI:000257623000146, title = {Blob-spring model for the dynamics of ring polymer in obstacle environment}, volume = {1027}, year = {2008}, note = {15th International Congress on Rheology/80th Annual Meeting of the Society-of-Rheology, Monterey, CA, AUG 03-08, 2008}, month = {AUG}, pages = {445-447}, publisher = {Soc Rheol}, address = {2 Huntington Quadrangle, STE 1no1, Melville, NY 11747-4501 USA}, abstract = {
The dynamical behavior of cyclic macromolecules in a fixed obstacle (FO) environment is very different than the behavior of linear chains in the same topological environment; while the latter relax by a snake-like reptational motion from their chain ends(1) the former can relax only by contour length fluctuations since they are endless.(2) Duke, Obukhov and Rubinstein proposed a scaling model (the DOR model) to interpret the dynamical scaling exponents shown by Monte Carlo simulations of rings in a FO environment.(2) We present a model (blob-spring model) to describe the dynamics of flexible and non-concatenated ring polymer in FO environment based on a theoretical formulation developed for the dynamics of an unentangled fractal polymer.(3) We argue that the perpetual evolution of ring perimeter by the motion of contour segments results in an extra frictional load. Our model predicts self-similar dynamics with scaling exponents for the molecular weight dependence of diffusion coefficient and relaxation times that are in agreement with the scaling model proposed by Obukhov et al.(2).
}, keywords = {fractal polymer dynamics, linear viscoelasticity, ring polymer dynamics}, isbn = {978-0-7354-0549-3}, issn = {0094-243X}, author = {Lele, Ashish K. and Iyer, Balaji V. S. and Juvekar, Vinay A.}, editor = {Co, A. and Leal, L. G. and Colby, R. H. and Giacomin, A. J.} } @article { ISI:000252529400004, title = {Bridging the gap between micropores and mesopores by the controlled transformation of bifunctional periodic mesoporous silicas}, journal = {Microporous and Mesoporous Materials}, volume = {108}, number = {1-3}, year = {2008}, month = {FEB}, pages = {29-40}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Novel bifunctional periodic mesoporous silicas having high content of organic groups in the pore channels and chromium in the frame wall has been synthesized by direct co-condensation method, using organo trialkoxysilanes (chloro propyl, vinyl, methyl), chromium nitrate and tetraethyl orthosilicate, in presence of cetyltrimethyl ammonium surfactants. The obtained materials show one main peak in the XRD patterns up to a molar ratio of 1: 1 between TEOS and organosilane in the synthesis gel and N-2 adsorption-desorption analysis shows that the mesopore structure remains intact after the surfactant removal process. Among the organosilanes, chloro propyl and vinyl pendant chromium samples shows a shift in the main peak to higher 2-theta values with a corresponding decrease in pore volume and pore diameter, with the percentage of organosilane functionalization. Small-pore silicas and chromium silicas can be prepared from the large pore mesoporous MCM-41, by effectively removing the organic groups by calcination. By this method, the pore size of the material can be tailored into the super-microporous region, without changing the chain length of the surfactant used in the assembly process. The shrinkage in pore size is dependent on the nature and percentage of the organic pendant groups that the chloro propyl and vinyl pendant mesoporous materials show the maximum pore size shrinkage than the small chain length methyl units. Because of the tailorable pore size and with better textural characteristics, chromium-silica materials find applications in the field of shape selective heterogeneous catalysis, as demonstrated in the oxidation reaction of cyclohexane, than the conventional metal-containing mesoporous materials. (c) 2007 Elsevier Inc. All rights reserved.
}, keywords = {bifunctional silicas, chromium, Cyclohexane, MCM-41, Oxidation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.03.039}, author = {Shylesh, S. and Srilakshini, Ch. and Singh, A. P. and Anderson, B. G.} } @article { ISI:000259876700012, title = {Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: convergence studies}, journal = {Journal of Chemical Physics}, volume = {129}, number = {13}, year = {2008}, month = {OCT}, pages = {134111}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Vibrational excited state energies have been calculated using vibrational coupled cluster linear response theory (CCLRT). The method has been implemented on formaldehyde and water molecule. Convergence studies have been shown with varying the cluster operator from S(4) to S(6) as well as the excitation operator from four bosons to six bosons. A good agreement with full configuration interaction results has been observed with S(6) truncation at coupled-cluster method level and six bosonic excitations at CCLRT level. (C) 2008 American Institute of Physics.
}, issn = {0021-9606}, doi = {10.1063/1.2982502}, author = {Banik, Subrata and Pal, Sourav and Prasad, M. Durga} } @article { ISI:000258059800003, title = {Capsaicin: preclinical and clinical studies}, journal = {Plant Archives}, volume = {8}, number = {1}, year = {2008}, month = {APR}, pages = {7-11}, publisher = {R S YADAV}, type = {Article}, address = {606-2 S CIVIL LINES, MUZAFFARNAGAR, 251 001, INDIA}, abstract = {
Drugs obtained from plant sources occupy important position in different pharmacopoeias. Many of the life saving drugs in the present day allopathic system are obtained from plant origin only. Extensive scientific research on capsaicin, a natural compound, pungent principle, present in the fruits of plant Capsicum anum, has been performed. In preclinical studies capsaicin shows lipid lowering by stimulating its metabolism, gastroprotection against aspirin and ethanol induced ulcers. Capsaicin in rodents shows anticancer activity against NKK induced lung and liver cancer. It also exhibits antidiabetic, antimicrobial, anti-inflammatory and antioxidant properties in rodents. In clinical studies Capsaicin shows gastroprotection in healthy volunteers. In double blind studies capsaicin proved to be useful in skin disorders against prutitic psoriasis and prurigo nodularis with randomized double blind studies. It also exhibits good analgesic activity against post-therapeutic neuralgia, osteo-arthritis, rheumatoid arthritis and diabetic neuropathy. Capsaicin is fairly safe with oral dose 0.5-1.0 mg/kg.
}, keywords = {capsaicin, Capsicum anum, clinical studies, preclinical}, issn = {0972-5210}, author = {Qureshi, Absar A. and Qureshi, Azfar A. and Omer, Shaista and Sanghai, Dhirendra B. and Setty, S. R. and Bhajipale, N. S.} } @article { ISI:000260756600004, title = {Carbohydrate templates for the synthesis of prototype renin inhibitors}, journal = {Tetrahedron-Asymmetry}, volume = {19}, number = {18}, year = {2008}, month = {SEP}, pages = {2123-2129}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A concise synthesis of a prototype renin inhibitor and its 7-epimer has been accomplished starting from readily available D-glucose. (C) 2008 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2008.08.007}, author = {Mohapatra, Debendra K. and Sahoo, Gokarneswar and Sankar, Kuppusamy and Gurjar, Mukund K.} } @article { ISI:000255698500035, title = {Carbohydrate-based approach for the total synthesis of aculeatin D and 6-epi-aculeatin D}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {10}, year = {2008}, month = {MAY}, pages = {3915-3918}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A concise approach for the total synthesis of aculeatin D and 6-epi-aculeatin D employing differentially protected anti,anti-1,3,5-triol alkyne prepared from alpha-D-glucoheptonic-gamma-lactone derivative is documented. Phenol protecting group manipulation for selective O-debenzylation during the hydrogenation of the diyne intermediate and one-pot phenolic oxidation with concomitant spiroketalization highlight the accomplished total synthesis.
}, issn = {0022-3263}, doi = {10.1021/jo800026n}, author = {Ramana, C. V. and Srinivas, Burgula} } @article { ISI:000257737200004, title = {Carbon nano horn and bovine serum albumin hierarchical composite: towards bio-friendly superhydrophobic protein film surfaces}, journal = {Journal of Materials Chemistry}, volume = {18}, number = {29}, year = {2008}, month = {JUN}, pages = {3422-3425}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Highly hydrophilic glass substrates when coated with films of carbon nano horns dispersed in the ubiquitous protein bovine serum albumin display hydrophobic characteristics. Incidentally both the materials used to create the final hydrophobic surface are known to be highly bio-compatible. The features observed are accredited to the replication of the micro and nanoscale hierarchical structures of carbon nano horns in the final film composite.
}, issn = {0959-9428}, doi = {10.1039/b806777e}, author = {Jadhav, Anil D. and Ogale, Satishchandra B. and Bhagavatula L. V. Prasad} } @article {42461, title = {Carbon-nitrogen bond-forming reactions of dialkyl azodicarboxylate: a promising synthetic strategy}, journal = {Chemistry an Asian Journal}, volume = {3}, year = {2008}, month = {MAY}, pages = {810{\textendash}820}, type = {Article}, abstract = {
Azodicarboxylates have found applications in electrophilic amination reactions and in pericyclic reactions. The nucleophilic trigger in Mitsunobu reactions, that is, the zwitterion formed from triphenylphosphine and dialkyl azodicarboxylate, has been utilized recently in various heterocyclic constructions. This Focus Review summarizes the potential utility of azodicarboxylates in various carbon{\textendash}nitrogen bond-forming reactions.
}, keywords = {amination reactions; azodicarboxylates; C[BOND]N bond formation; heterocycles; Huisgen zwitterion}, doi = {10.1002/asia.200700341}, author = {Nair, Vijay and Biju, Akkattu T. and Mathew, Smitha C. and Pattoorpadi, Beneesh Babu} } @article { ISI:000256179700013, title = {Catalyst-free efficient synthesis of 2-aminothiazoles in water at ambient temperature}, journal = {Tetrahedron}, volume = {64}, number = {22}, year = {2008}, month = {MAY}, pages = {5019-5022}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A highly efficient and facile method has been described for the synthesis of substituted 2-aminothiazoles in water without any added catalyst or co-organic solvent. The reaction was carried out at ambient temperature and the products were obtained in excellent isolated yields. The developed protocol is successfully applied for the preparation of an anti-inflammatory drug, fanetizole. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {2-aminothiazoles, ambient temperature, environment-friendly synthesis, Water}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.03.082}, author = {Potewar, Taterao M. and Ingale, Sachin A. and Srinivasan, Kumar V.} } @article { ISI:000256892200001, title = {Catalytic hydrogenation of 2-butyne-1,4-diol: activity, selectivity and kinetics studies}, journal = {Journal of the Japan Petroleum Institute}, volume = {51}, number = {3}, year = {2008}, month = {MAY}, pages = {119-133}, publisher = {JAPAN PETROLEUM INST}, type = {Article}, address = {YOYU-KANDA BLDG. 4F, 1-8-4 KANDASUDA-CHO, CHIYODA-KU, TOKYO, 108-0041, JAPAN}, abstract = {
The reaction pathway for hydrogenation of 2-butyne-1,4-diol involves parallel and consecutive isomerization as well as hydrogenation reactions forming other side products along with cis-2-butene-1,4-diol and butane-1,4-diol. Hence, achieving the highest selectivity to butene- and/or butanediol is critical from industrial point of view. Hydrogenation of butynediol is also of fundamental significance, due to its adsorption characteristics leading to the formation of active species and their role in determining the product distribution. Studies on designing various catalyst systems including colloidal as well supported palladium nanoparticles for the hydrogenation of butynediol, role of additives, catalyst pretreatment, kinetic studies carried out in our group has been presented in this review. Interestingly, almost complete selectivity to the intermediate olefinic diol was achieved with 1\% Pd/CaCO3-NH3 catalyst system. This could be due to the competitive adsorption of ammonia on the palladium surface along with the substrate 2-butyne-1,4-diol. Studies on catalyst pretreatment and kinetics using palladium catalyst have also been presented here. Nanostructure palladium both colloidal as well as supported catalysts showed a very high catalytic activity (10-40 times more) in the hydrogenation 2-butyne-1,4-diol to cis-2-butene-1,4-diol compared with the corresponding conventional Pd catalysts. For platinum based catalysts, formation of side products was completely eliminated in the hydrogenation of butyne diol. The increase in the basic strength of alkali metal doped Pt catalysts measured by CO2-TPD, led to the increase in electron density of Pt hence, faster desorption and higher selectivity to butenediol. In the case of continuous hydrogenation, the selectivity pattern was completely different from that found in the case of batch slurry reactor and by varying the contact time, the selectivity to both butene- and butanediols could be varied over a wide range of conditions.
}, keywords = {2-butene-1, 2-butyne-1, 4-diol, alkali metal doping, catalyst pretreatment, nano palladium catalyst, Selective hydrogenation}, issn = {1346-8804}, doi = {10.1627/jpi.51.119}, author = {Rode, Chandrashekhar V.} } @article { ISI:000256929600004, title = {Cationic polymerization of epoxides using novel xanthenyl phosphonium salts as thermo-latent initiator}, journal = {Polymer Bulletin}, volume = {60}, number = {6}, year = {2008}, month = {JUN}, pages = {755-763}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The present article describes the effect of steric and electronic factors on the efficiency of initiators based on novel xanthenyl phosphonium salts for cationic polymerization of epoxide monomers. 2-substituted (I(H), I(Cl), I(Me), and I(OMe)) xanthenyl phosphonium hexafluoroantimonate were synthesized and characterized by NMR ((1)H, (13)C and (31)P) and IR spectroscopy. The order of initiator activity in polymerization of glycidyl phenyl ether (GPE), was found as I(H)\> I(Cl)\> I(Me)\> I(OMe). To understand the effect of steric factor, the polymerization of cyclohexene oxide (CHO) was performed and the order of activity was found as I(Cl)\> I(H)\> I(Me) \> I(OMe). All the initiators were found to be latent at ambient temperature and initiates polymerization on thermal initiation. The order of initiator activity was influenced by electronic and steric factors in the system. The thermal stability of these salts was measured by Thermo gravimetric analysis (TGA). The solubility of the initiators in various organic solvents and epoxy monomers is also discussed.
}, issn = {0170-0839}, doi = {10.1007/s00289-008-0910-1}, author = {Gupta, Mukesh Kumar and Singh, Raj Pal} } @article { ISI:000253497900006, title = {Cellular polyamines influence maturation and germination of somatic embryos from pro-embryonal masses of two grapevine cultivars}, journal = {Vitis}, volume = {47}, number = {1}, year = {2008}, month = {JAN}, pages = {31-34}, publisher = {BUNDESANSTALT ZUCHTUNGS FORSCHUNG KULTURPFLANZEN}, type = {Article}, address = {INST REBENZUCHTUNG GEILWEILERHOF, D-76833 SIEBELDINGEN, GERMANY}, abstract = {
Somatic embryos of grapevine multiply repeatedly and often fail to mature and germinate due to factors like dormancy and embryo teratology. The present investigation was carried out to improve the maturation and germination of somatic embryos from pro-embryonal masses (PEM) of 2A-Clone and {\textquoteleft}Crimson Seedless{\textquoteright}, two seedless grapevine cultivars. Also, the aim was to study a correlation between cellular and residual polyamine (PA) levels in PEM and culture media. The efficiency of maturation and germination of embryos from PEM varied significantly between the two cultivars and depended on incubation period and type of PAs in the medium. HPLC analysis showed that higher levels of cellular putrescine in PEM had correlation with maturation and germination percentages in both cultivars. The levels of three PAs depleted in the media rapidly indicating its uptake by PEM. Of the three PAs, putrescine (PUT) was the most effective and resulted in 100.0 or 92.0 \% maturation at 14 d or 30 d in 2A-Clone or {\textquoteleft}Crimson Seedless{\textquoteright}, respectively. The maximum germination of somatic embryos was recorded with PUT at 14 d or 21 d in 2A-Clone or {\textquoteleft}Crimson Seedless{\textquoteright}, respectively.
}, keywords = {germination, Grapevine, maturation, polyamines, {\textquoteleft}2A-Clone{\textquoteright}, {\textquoteleft}Crimson Seedless{\textquoteright}}, issn = {0042-7500}, author = {Nookapaju, A. and Barreto, M. S. and Agrawal, Dinesh C.} } @article { ISI:000262296200001, title = {Cellulose conversion under heterogeneous catalysis}, journal = {ChemSusChem}, volume = {1}, number = {12}, year = {2008}, month = {NOV}, pages = {969-975}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
In view of current problems such as global warming, high oil prices, food crisis, stricter environmental laws, and other geopolitical scenarios surrounding the use of fossil feedstocks and edible resources, the efficient conversion of cellulose, a non-food biomass, into energy, fuels, and chemicals has received much attention. The application of heterogeneous catalysis could allow researchers to develop environmentally benign processes that lead to selective formation of value-added products from cellulose under relatively mild conditions. This Minireview gives insight into the importance of biomass utilization, the current status of cellulose conversion, and further transformation of the primary products obtained
}, keywords = {Biomass, cellulose, heterogeneous catalysis, supported catalysts}, issn = {1864-5631}, doi = {10.1002/cssc.200800129}, author = {Dhepe, Paresh Laxmikant and Fukuoka, Atsushi} } @article { ISI:000257474100021, title = {Cellulose supported layered double hydroxides for the adsorption of fluoride from aqueous solution}, journal = {Chemosphere}, volume = {72}, number = {6}, year = {2008}, month = {JUN}, pages = {995-998}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Cellulose supported layered double hydroxides (CSLDHs) were synthesized and tested for adsorption of fluoride in aqueous medium. Three samples of cellulose supported LDHs were synthesized by varying the LDH loading on cellulose. The raw cellulose, unsupported LDH and cellulose supported LDHs were characterized by XRD, SEM and BET surface area. Batch adsorption as well as fixed-bed column experiments were performed for determining the fluoride adsorption characteristics of CSLDHs. The fluoride adsorption properties of CSLDHs were found to be superior to that of reported adsorbents, including activated alumina and carbon nanotubes. Defluoridation capacity of the CSLDHs was 2-4 times higher than that of unsupported LDH. The cellulose supported LDH, CSLDH-50, having an LDH loading of 27\% showed maximum fluoride uptake capacity (5.29 mg g(-1) of CSLDH, 25.18 mg g(-1) of LDH) in fixed-bed column study. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Adsorption, cellulose, Fluoride, Layered double hydroxide}, issn = {0045-6535}, doi = {10.1016/j.chemosphere.2008.03.053}, author = {Mandal, Sujata and Mayadevi, S.} } @article { ISI:000207604400003, title = {CFD modeling of rotary cement kilns}, journal = {Asia-Pacific Journal of Chemical Engineering}, volume = {3}, number = {2}, year = {2008}, month = {APR}, pages = {106-118}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Rotary cement kilns are widely used to convert calcineous raw meal into cement clinker, and are key components in the cement industry. In this article, we report a comprehensive computational fluid dynamics (CFD)-based model to capture key transport processes in rotary cement kilns. Separate but coupled computational models were developed for the bed and the freeboard regions of the rotary kiln. The complex swirling airflow produced by kiln burners, coal combustion, gas-phase combustion of volatile matter and radiative heat transfer in the freeboard region were modeled. The clinkerization reactions in the bed region were modeled assuming solids as pseudo fluids. Coating formation in cement kilns (for both bed and freeboard regions) was considered. Appropriate source and sink terms were developed to model transfer of CO(2) from the bed to the freeboard region due to calcination reaction in the bed region. The developed bed and freeboard models were coupled by mass and energy communication through common interface. These coupled computational models were able to quite satisfactorily predict the available data from industrial kilns and previously published results. The computational models were also able to capture the intricacies of the burning zones of rotary cement kilns for changing burner-operational parameters like axial to swirl ratio and oxygen enrichment. The developed approach, computational models and simulation results will not only help in developing better understanding of cement kilns but also provide quantitative information about influence of burner design and other design parameters on kiln performance. (C) 2008 Curtin University of Technology and John Wiley \& Sons, Ltd.
}, keywords = {burner, CFD, coal combustion, rotary cement kiln}, issn = {1932-2143}, doi = {10.1002/apj.123}, author = {Mujumdar, Kaustubh S. and Ranade, Vivek V.} } @article { ISI:000258442800009, title = {CFD simulation of gas-liquid flows in a reactor stirred by dual rushton turbines}, journal = {International Journal of Chemical Reactor Engineering}, volume = {6}, year = {2008}, month = {JAN}, pages = {Article No. A60}, publisher = {BERKELEY ELECTRONIC PRESS}, type = {Article}, address = {2809 TELEGRAPH AVENUE, STE 202, BERKELEY, CA 94705 USA}, abstract = {
In the present work, we have simulated gas-liquid flows in a tall stirred reactor equipped with dual Rushton turbines. A two fluid model along with the standard k-epsilon turbulence model and modified drag coefficient, (proposed by Khopkar \& Ranade, 2006) accounting for the effect of bulk turbulence, was used to simulate the dispersed gas-liquid flow in a stirred reactor. The multiple reference frames (MRF) approach was used to simulate impeller rotation in a fully baffled reactor. The computational model was mapped on to a commercial solver FLUENT 6.2 (of Fluent Inc. USA). The model was used to simulate three distinct flow regimes in a gas-liquid stirred reactor: L33-VC (lower impeller-upper impeller), S33-VC and VC-VC. The model predictions were compared with the published experimental data of Bombac \& Zun (2000). The predicted results show good agreement with the experimental data for all the three flow regimes. The computational model presented in this work would be useful for simulating different flow regimes in a gas-liquid stirred vessel.
}, keywords = {computational fluid dynamics, dual Rushton turbine, Flow regimes, gas hold-up distribution, stirred reactor}, issn = {1542-6580}, author = {Kasat, Gopal R. and Pandit, Aniruddha B. and Ranade, V. V.} } @article { ISI:000258368000004, title = {CFD simulation of liquid-phase mixing in solid-liquid stirred reactor}, journal = {Chemical Engineering Science}, volume = {63}, number = {15}, year = {2008}, month = {AUG}, pages = {3877-3885}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A comprehensive CFD model was developed to gain an insight into solid suspension and its implications on the liquid-phase mixing process in a solid-liquid stirred reactor. The turbulent solid-liquid flow in a stirred reactor was simulated using a two-fluid model with the standard k-epsilon. turbulence model with mixture properties. The multiple reference frames (MRFs) approach was used to simulate impeller rotation in a fully baffled reactor. The computational model with necessary sub-models was mapped on to a commercial solver FLUENT 6.2 (of Fluent Inc., USA). The predicted solid concentration distribution was compared with the experimental data of Yamazaki et al. [ 1986. Concentration profiles of solids suspended in a stirred tank. Powder Technology 48, 205-216]. The computational model was then further extended to simulate and understand the implications of the suspension quality on liquid-phase mixing process. The computational model and the predicted results discussed here will be useful for understanding the liquid-phase mixing process in stirred slurry reactors in various stages of solid suspension. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {CFD, mixing, solid suspension, stirred reactor}, issn = {0009-2509}, doi = {10.1016/j.ces.2008.04.018}, author = {Kasat, Gopal R. and Khopkar, A. R. and Ranade, V. V. and Pandita, A. B.} } @article { ISI:000259799300016, title = {C-glycosides of dodecanoic acid: new capping/reducing agents for glyconanoparticle synthesis}, journal = {Tetrahedron Letters}, volume = {49}, number = {43}, year = {2008}, month = {OCT}, pages = {6227-6230}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A concise synthesis of 12-C-glycosylated dodecanoic acids employing an olefin cross-metathesis reaction is developed. Examination of these acids as capping agents for the synthesis of metal nanoparticles reveals that they do not cap the Co-metal nanoparticles synthesized in aqueous phase, but that two of them can reduce and cap the Ag nanoparticles in water without any aggregation. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {C-Glycosides, Cross metathesis, glyconanoparticles, Grubbs{\textquoteright} catalyst, silver nanoparticles}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.08.030}, author = {Ramana, C. V. and Durugkar, Kulbhushan A. and Puranik, Vedavati G. and Narute, Sachin B. and Bhagavatula L. V. Prasad} } @article { ISI:000258950500040, title = {Changes in dynamics of SRE-RNA on binding to the VTS1p-SAM domain studied by C-13 NMR relaxation}, journal = {Journal of the American Chemical Society}, volume = {130}, number = {36}, year = {2008}, month = {SEP}, pages = {12007-12020}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
RNA recognition by proteins is often accompanied by significant changes in RNA dynamics in addition to conformational changes. However, there are very few studies which characterize the changes in molecular motions in RNA on protein binding. We present a quantitative C-13 NMR relaxation study of the changes in RNA dynamics in the pico-nanosecond time scale and micro-millisecond time scale resulting from interaction of the stem-loop SRE-RNA with the VTS1p-SAM domain. C-13 relaxation rates of the protonated carbons of the nucleotide base and anomeric carbons have been analyzed by employing the model-free formalism, for a fully C-13/N-15-labeled sample of the SRE-RNA in the free and protein-bound forms. In the free RNA, the nature of molecular motions are found to be distinctly different in the stem and the loop region. On binding to the protein, the nature of motions becomes more homogeneous throughout the RNA, with many residues showing increased flexibility at the aromatic carbon sites, while the anomeric carbon sites become more rigid. Surprisingly, we also observe indications of a slow collective motion of the RNA in the binding pocket of the protein. The observation of increased motions on binding is interesting in the context of growing evidence that binding does not always lead to motional restrictions and the resulting entropy gain could favor the free energy of association.
}, issn = {0002-7863}, doi = {10.1021/ja8023115}, author = {Oberstrass, Florian C. and Allain, Frederic H. T. and Ravindranathan, Sapna} } @article { ISI:000262796500004, title = {Characterization of MoSe2 thin film deposited at room temperature from solution phase}, journal = {Journal of Crystal Growth}, volume = {311}, number = {1}, year = {2008}, month = {DEC}, pages = {15-19}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple, low-temperature method has been developed to synthesis molybdenum diselenide semiconductor thin films, based on the chemical reaction of conlplexed ammonium molybdate, hydrazine hydrate and sodium Selenosulphate in aqueous alkaline medium. The deposition parameter of the MoSe2 thin film is interpreted in the present investigation. The films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), optical absorption and electrical measurements. The deposited film was found to be polycrystalline in hexagonal form. The direct band gap {\textquoteleft}E-g{\textquoteright} for the film was found to be 1.43eV and electrical conductivity in the order of 10(-2)(Omega cm)(-1) with n-type conduction mechanism. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Crystal morphology, Growth from solution, Inorganic compound, Polycrystalline deposition, Semiconducting materials, X-ray diffraction}, issn = {0022-0248}, doi = {10.1016/j.jcrysgro.2008.09.188}, author = {Hankare, P. P. and Patil, A. A. and Chate, P. A. and Garadkar, K. M. and Sathe, D. J. and Manikshete, A. H. and Mulla, Imtiaz S.} } @article { ISI:000258819000009, title = {Characterization of smallest active monomeric penicillin V acylase from new source: a yeast, rhodotorula aurantiaca (NCIM 3425)}, journal = {Process Biochemistry}, volume = {43}, number = {9}, year = {2008}, month = {SEP}, pages = {961-967}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
An intracellular monomeric penicillin V acylase (PVA) of 36,000 Da exhibiting pI of 4.19, purified from newly identified yeast source, Rhodotorula aurantiaca (NCIM 3425). The enzyme was purified by hydrophobic interaction chromatography. The enzyme showed optimal activity at 45 degrees C and retained 80\% activity after incubation at 45 degrees C and pH 5.5 for I h. The enzyme showed maximum activity at pH 5.5 and was very stable between pH 5.5-6.5 with optimum stability at pH 6.0. It exhibited 50\% of its original activity after 30 min incubation at 60 degrees C. Enzyme hydrolyzed substrates with benzyl side chain but preferred penicillin V as primary substrate. N-terminally located serine supports the fact that it belongs to Ntn (N-terminal nucleophile)-hydrolase superfamily. The initial ten amino acid residues of R. aurantiaca PVA were identical to the initial sequence of NADH dehydrogenase (EC 1.6.99.3): however the enzyme lacks dehydrogenase activity. EGTA, EDTA, hexane and ethyl acetate stabilized the activity where as small chain alcohols inhibited it. 1,4-Dioxane, THF (tetrahydrofurane), phenol and benzyl alcohol severely inhibited enzyme activity while BME and DTT increased it. Tween 80 and Tween 20 highly enhanced the activity where as SIDS and Triton X-100 inhibited it. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Intracellular enzyme, N-terminal sequencing, Penicillin V acylase, Purification, Rhodotorula aurantiaca, Substrate specificity}, issn = {1359-5113}, doi = {10.1016/j.procbio.2008.04.024}, author = {Kumar, Atul and Prabhune, Asmita and Suresh, C. G. and Pundle, Archana} } @article { ISI:000253283700034, title = {Chemical inhomogeneity and mixed-state ferromagnetism in diluted magnetic semiconductor Co : TiO2}, journal = {Chemistry of Materials}, volume = {20}, number = {4}, year = {2008}, month = {FEB}, pages = {1344-1352}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Diluted magnetic semiconductors (DMS) are among the most intensely investigated materials in recent times in view of their great application potential. Yet, they are also the most controversial because of the possibility of extrinsic effects attributable to dopant solubility and clustering, point defects, incorporation of unintentional impurities, etc. This has highlighted the central role of materials chemistry in rendering a specific microstate and property response. In this work, we provide a combined window of high-resolution scanning transmission electron microscopy and electron energy-loss spectrometry, X-ray absorption (XAS)/X-ray magnetic circular dichroism (XMCD), and magnetization measurements on epitaxial rutile CoxTi1-xO2 (x = 0-0.06) system (the first discovered oxide-DMS, which continues to be controversial) grown at low temperature (400 degrees C) under different ambient atmospheres. The study brings out a mixed-state scenario of ferromagnetism involving intrinsic DMS (uniform dopant distribution at low dopant concentration) and coupled cluster magnetism, involving cobalt associations within the matrix at higher concentrations. We also show that by matrix valence control during growth, it is possible to realize a uniform embedded cluster state and the related coupled cluster magnetism.
}, issn = {0897-4756}, doi = {10.1021/cm702089z}, author = {Ogale, Satishchandra B. and Kundaliya, Darshan and Mehraeen, Shareghe and Fu, Lian-feng and Zhang, Shixiong and Lussier, Alexandre and Dvorak, Joe and Browning, Nigel D. and Idzerda, Yves and Venkatesan, Thirumalai} } @article { ISI:000255189100003, title = {Chemoselective synthesis of beta-amino acid derivatives by hydroamination of activated olefins using AISBA-15 catalyst prepared by post-synthetic treatment}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {284}, number = {1-2}, year = {2008}, month = {APR}, pages = {16-23}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
beta-Amino acid derivatives have a wide variety of applications viz. in the synthesis of peptide analogues, precursor for amino alcohols, optically active amino acids, lactums and diamines. Chemoselective anti-Markovnikov hydroamination reaction of activated olefins was effectively used to synthesize beta-amino acid derivatives using AlSBA-15 and AlMCM-41 catalysts. These catalysts with different Si/Al ratios were synthesized by isomorphous substitution of aluminium into the framework of SBA-15, which induces the Bronsted and Lewis acid sites. The structural integrity of the catalysts was established by characterizing with XRD, N-2-sorption, TEM, NH3-TPD Al-27 MAS NMR and Si-29 MAS NMR techniques. Hydroamination of ethyl acrylate with aniline was used as a test reaction, which gave N-[2-(ethoxycarbonyl)ethyl] aniline with high selectivity. The performance of AlSBA-15 catalyst was also determined with different acrylates and amines to know the general applicability of the catalyst in hydroamination reactions. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {acrylate, activated olefin, addition, AlMCM-41, AlSBA-15, Amine, beta-amino acid, Catalyst, hydroamination, Mesoporous}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.12.025}, author = {Shanbhag, Ganapati V. and Kumbar, S. M. and Halligudi, Shivaraj B.} } @article { ISI:000252757100011, title = {Chimeric (alpha-amino acid plus nucleoside-beta-amino acid)(n) peptide oligomers show sequence specific DNA/RNA recognition}, journal = {Chemical Communications}, number = {6}, year = {2008}, month = {JAN}, pages = {706-708}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An alpha/beta-peptide backbone oligonucleotide comprising natural alpha-amino acids alternating with a beta-amino acid component derived from thymidine sequence specifically recognizes and binds to deoxy- and ribo-oligoadenylates in triplex mode.
}, issn = {1359-7345}, doi = {10.1039/b716835g}, author = {Gogoi, Khirud and Kumar, Vaijayanti A.} } @article { ISI:000258274200014, title = {Chiral Mn(III) salen complex immobilized onto ionic liquid modified mesoporous silica for oxidative kinetic resolution of secondary alcohols}, journal = {Tetrahedron Letters}, volume = {49}, number = {33}, year = {2008}, month = {AUG}, pages = {4865-4868}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A supported ionic liquid strategy has been applied for the immobilization of a chiral Mn(III) salen complex onto ionic liquid modified mesoporous silica SBA-15. The immobilized catalyst demonstrated high enantioselectivity and activity in the oxidative kinetic resolution of secondary alcohols, and could be recycled five times without obvious loss of activity. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Mesoporous silica SBA-15, Mn(III) salen, Oxidative kinetic resolution, Secondary alcohol, Supported ionic liquid}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.06.014}, author = {Sahoo, Suman and Kumar, Pradeep and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000252416000015, title = {Co : CdS diluted magnetic semiconductor nanoparticles: radiation synthesis, dopant-defect complex formation, and unexpected magnetism}, journal = {Chemistry of Materials}, volume = {20}, number = {2}, year = {2008}, month = {JAN}, pages = {440-446}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Incorporating a dopant into a nanoparticle is a nontrivial proposition in view of the size dependent surface versus bulk energy considerations and the intrinsic proximity of the surface to the interior, which facilitates migration to the surface. If realized and controlled, however, it can open up new avenues to novel nanomaterials. Some previous studies have shown the dopability of nanosystems but only with specific surface functionalization. Here, we demonstrate the successful dopant incorporation via a new route of pulsed high energy electron induced synthesis. We choose a system Co:CdS (dilutely cobalt doped cadmium sulfide) in view of the well-known application-worthy properties of CdS and the potential possibility of its conversion to a diluted magnetic semiconductor of interest to spintronics. By using various techniques, we show that matrix incorporation and uniform distribution of cobalt are realized in US nanocrystals without the need for additional chemical or physical manipulation. Optical and photoluminescence properties also support dopant incorporation. Interestingly, although magnetism is realized, it is weak, and it decreases at higher cobalt concentration. First principle density functional calculations are performed to understand this counterintuitive behavior. These calculations suggest that the introduction of parent cation or anion vacancies lead to magnetic moment reduction, albeit marginally. However, with some Co impurity fraction in the octahedral interstitial site inside the wurtzite cage, the magnetic moment drops down drastically. This study reveals that defect states may have an interesting role in dopant stabilization in nanosystems, with interesting system dependent consequences for the properties.
}, issn = {0897-4756}, doi = {10.1021/cm702118w}, author = {Bogle, Kashinath A. and Ghosh, Saurabh and Dhole, Sanjay D. and Bhoraskar, Vasant N. and Fu, Lian-feng and Chi, Miao-Fang and Browning, Nigel D. and Kundaliya, Darshan and Das, Gour P. and Ogale, Satishchandra B.} } @article { ISI:000256378800020, title = {Co-catalyzed mild and chemoselective reduction of phenyl esters with NaBH(4): a practical synthesis of (R)-tolterodine}, journal = {Tetrahedron Letters}, volume = {49}, number = {23}, year = {2008}, month = {JUN}, pages = {3790-3793}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
CoCl(2) catalyzes effectively the chemoselective reduction of phenyl carboxylic esters to the corresponding saturated alcohols in high yields using NaBH(4) at ambient conditions. By employing this methodology, the synthesis of (R)-tolterodine, a muscarinic receptor antagonist, has been achieved in high yield and optical purity. (C) 2008 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.04.007}, author = {Jagdale, Arun R. and Sudalai, Arumugam} } @conference { ISI:000271775103415, title = {COLL 41-studies in biosurfactants: sophorolipids}, booktitle = { 235th American-Chemical-Society National Meeting}, volume = {235}, year = {2008}, note = {235th American-Chemical-Society National Meeting, New Orleans, LA, APR 06-10, 2008}, month = {APR}, pages = {Meeting Abstract : 41 - Coll}, publisher = {American Chemical Society}, organization = {American Chemical Society}, type = {Meeting Abstract}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, keywords = {Biosurfactants, Candida bombicola ATCC 22214, Fermentation Process, sophorolipids}, issn = {0065-7727}, author = {Momin, Shamim A. and Prabhune, Asmita and Sonchal, Bhushan P. and Shah, Sachin and Kothekar, Shrinivas C.} } @article { ISI:000252539500001, title = {Comparative biochemical and structural characterizations of fungal polygalacturonases}, journal = {Biologia}, volume = {63}, number = {1}, year = {2008}, month = {FEB}, pages = {1-19}, publisher = {WALTER DE GRUYTER GMBH}, type = {Article}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {
Endo- and exo-polygalacturonases produced by various fungi are involved in the degradation of pectic substances. They have found a wide range of applications in the food and textile industries. Several phyto-pathogenic fungi secrete polygalacturonases and they act as virulence factors during plant pathogenesis. The comparison of biochemical properties of different fungal polygalacturonases, their mechanism of actions, structural aspects and interactions with inhibitors/proteins could be used as a possible strategy for the fungal-crop disease management. This review focuses on fungal polygalacturonases, including their regulation, comparative biochemical and structural characterizations and their interactions with inhibitors.
}, keywords = {pectate lyase, plant pathogenesis, polygalacturonase, polygalacturonase-inhibiting proteins}, issn = {0006-3088}, doi = {10.2478/s11756-008-0018-y}, author = {Niture, Suryakant K.} } @article { ISI:000253511900004, title = {Comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory}, journal = {Journal of Physical Chemistry B}, volume = {112}, number = {9}, year = {2008}, month = {MAR}, pages = {2573-2579}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Periodic density functional theory has been employed to characterize the differences in the structural, Lewis acidic and hydrophilic properties of Sn-BEA and Ti-BEA. We show that the incorporation of Sri increases the Lewis acidity of BEA compared to the incorporation of Ti. Hence, the present work gives insight into the role of Sn in increasing the efficiency of the oxidation reactions. The results also justify that the percentage of Sri substituted in BEA is less than Ti. The structural analysis shows that the first coordination shell of Sri is larger than that of Ti. However, the second coordination of both sites remains the same. The water adsorption properties of these substituted zeolites are quantified. Moreover, we explain the higher Lewis acidity of Sn than the Ti site on the basis of the Fukui functions and charge population analysis.
}, issn = {1520-6106}, doi = {10.1021/jp709846s}, author = {Shetty, Sharan and Kulkarni, Bhakti S. and Kanhere, Dilip G. and Goursot, Annick and Pal, Sourav} } @article { ISI:000254480500087, title = {Comparative study of the shape-dependent electrocatalytic activity of platinum multipods, discs, and hexagons: applications for fuel cells}, journal = {Langmuir}, volume = {24}, number = {7}, year = {2008}, month = {APR}, pages = {3576-3583}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We here demonstrate a remarkable potential-dependent morphological evolution of platinum mesostructures in the form of multipods, discs, and hexagons using a porous anodic alumina membrane (PAAM). These structures prepared potentiostatically at -0.7, -0.5 and -0.3 V, respectively, reveal unique shape-dependent electrocatalytic activity toward both formic acid and ethanol oxidation reactions. A comparison of the electrooxidation kinetics of these structures illustrates that hexagons show better performance toward formic acid oxidation whereas, for ethanol oxidation, multipods show significantly enhanced activity. Interestingly, the enhancement factor (R) for these mesostructures with respect to that of commercial platinized carbon toward formic acid oxidation ranges up to 2000\% for hexagons whereas for multipods and disc they are about 700\% and 300\%, respectively. Similarly, for ethanol oxidation, the calculated value of R varies up to 600\% for multipods while for disc and hexagons these values are 500\% and 200\%, respectively. These shape-dependent electrocatalytic activity of Pt mesostructures have been further correlated with XRD results. Thus, the present results demonstrate the importance of precise control of morphology by an electric field and their potential benefits especially for fuel cell applications since designing a better electrocatalyst for many fuel cell reactions continues to be an important challenge.
}, issn = {0743-7463}, doi = {10.1021/la702983z}, author = {Subhramannia, Mahima and Ramalyan, Kannan and Pillal, Vijayamohanan K.} } @article { ISI:000259622100005, title = {Comparison of Metarhizium isolates for biocontrol of helicoverpa armigera (Lepidoptera : Noctuidae) in chickpea}, journal = {Biocontrol Science and Technology}, volume = {18}, number = {8}, year = {2008}, month = {FEB}, pages = {809-828}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Metarhizium isolates from soil (53) and insect hosts (10) were evaluated for extracellular production of cuticle degrading enzyme (CDE) activities such as chitinase, chitin deacetylase (CDA), chitosanase, protease and lipase. Regression analysis demonstrated the relation of CDE activities with Helicoverpa armigera mortality. On basis of this relation, ten isolates were selected for further evaluation. Subsequently, based on LT(50) of the 10 isolates towards H. armigera, five isolates were selected. Out of these five isolates, three were selected on the basis of higher conidia production (60-75 g/kg rice), faster sedimentation time (ST(50)) (2.3-2.65 h in 0.1\% (w/v) Tween 80) and lower LC(50) (1.4- 5.7 x 10(3) conidia/mL) against H. armigera. Finally, three Metarhizium isolates were selected for the molecular fingerprinting using ITS sequencing and RAPD patterning. All three isolates, M34412, M34311 and M81123, showed comparable RAPD patterns with a 935G primer. These were further evaluated for their field performance against H. armigera in a chickpea crop. The percent efficacies with the three Metarhizium isolates were from 65 to 72\%, which was comparable to the chemical insecticide, endosulfan (74\%).
}, keywords = {appressorium formation, chitin deacetylase, chitinase, chitosanase, Helicoverpa armigera, Lipase, Metarhizium anisopliae, Protease}, issn = {0958-3157}, doi = {10.1080/09583150802366475}, author = {Kulkarni, Shuklangi A. and Ghormade, Vandana and Kulkarni, Girish and Kapoor, Manisha and Chavan, Santosh B. and Rajendran, Armugam and Patil, Sanjay K. and Shouche, Yogesh and Deshpande, Mukund V.} } @article { ISI:000251444400008, title = {Complexation of heavy metals by crosslinked chitin and its deacetylated derivatives}, journal = {Carbohydrate Polymers}, volume = {71}, number = {1}, year = {2008}, month = {JAN}, pages = {66-73}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Chitin was crosslinked using diisocyanatohexane (HDI), trimellitic anhydride (TMA), and dibromodecane (DBD), then deacetylated in strong aqueous alkali. This led to a product with amine functional groups on the exposed surface of the crosslinked chitin, which could be utilized for complexation with heavy metals. Thus, a key feature of the crosslinked derivatives prepared was that only the hydroxy Groups were utilized in the crosslinking reaction, and the acetylamino groups of chitin were hydrolyzed only after the crosslinking was accomplished. This ensured that all amino groups of the chitosans so produced would be available for metal complexation, and not partially used up in crosslinking. This proposed advantage was proved by the similar binding observed for heavy metals like Hg (348-372 mg/g), Cu (91-119 mg/g), Zn (71-92 mg/g), Mn (3-10 mg/g), Cd (121-160 mg/g), and Pb (32-86 mg/g) using these crosslinked polymers, whereas the control polymer (uncrosslinked chitosan powder) had complexation values for Hg (348-361 mg/g), Cu (100-106 mg/g), Zn (81-92 mg/g), Mn (4-7 mg/g), Cd (135 mg/g), and Pb (25-59 mg/g). Additionally, in a case where chitosan was crosslinked with HDI. the amino groups were consumed in the crosslinking reaction, and the metal complexation capacity has found to be decreased for Cu (91-109 mg/g), Cd (133 mg/g), and Zn (71-77 mg/g), while remaining nearly the same for Hg (362 mg/g). The literature value for Cu complexation is 59.67 mg/g for chitosan crosslinked with glutaraldehyde. The crosslinked derivatives have the added advantage of insolubility even in low pH aqueous media, making their repeated re-use possible. Further, these crosslinked derivatives could be used in powder form, and the additional step of preparing beads was found to be not necessary for ease of separation of the crosslinked powder by filtration. The binding capacity of various crosslinked chitin and deacetylated derivatives for Cu, Cd, Hg, Zn, Mn. and Pb was in the region of 100, 140, 360 88, 5, and 60 mg/g (rounded off values) of polymer, respectively, very close to the values obtained for uncrosslinked chitosan. The metal binding for crosslinked chitosan was slightly lower than that of crosslinked chitin and deacetylated derivatives, due to use of some amino groups in crosslinking. For Cu ions, the Langmuir equation was found to be the best fit for HDI crosslinked deacetylated chitin and TMA crosslinked deacetylated chitin. The morphological studies conducted using WAXRD are in close agreement with the metal complexation data, showing complete loss of original chitosan peaks for the heavily complexed derivatives, and minor changes for the weakly complexed metals. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Chitosan, Crosslinked chitosan, deacetylated chitin, metal complexation, Morphology}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2007.05.016}, author = {Trimukhe, K. D. and Varma, Anjanikumar} } @article { ISI:000256290100015, title = {Composites of polypropylene with layered Mg-silsesquioxanes show an unusual combination of properties}, journal = {Industrial \& Engineering Chemistry Research}, volume = {47}, number = {11}, year = {2008}, month = {JUN}, pages = {3891-3899}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report the synthesis of vinyl modified magnesium silsesqiuoxanes ({\textquoteright}{\textquoteright}vinyl clay{\textquoteright}{\textquoteright}), and the formation of their composites with isotactic polypropylene (iPP) by melt compounding. Vinyl clay is a layered compound with a layer thickness of approximately 1 nm. Vinyl clay does not exfoliate in iPP; rather, it disperses to form a network that exhibits a characteristic low frequency solid-like plateau in the elastic modulus in dynamic melt theological measurements. Strangely, vinyl clay also plasticizes iPP-there is a decrease in the high frequency complex viscosity. The decrease in the complex viscosity is higher at higher frequencies, suggesting the influence of slip at the iPP-vinyl clay interface. The combination of the low frequency elastic plateau and plasticization makes the vinyl clay composite significantly more shear thinning than the matrix iPP. In the solid state, vinyl clay-iPP composites exhibit increased tensile modulus (showing approximate to 50\% increase for a 5\% loading), but surprisingly, no corresponding decrease in the elongation at break. Thus, while microstructural characterization indicates that only a small fraction, if any, of the vinyl clay is exfoliafed, the enhancement in mechanical properties is similar to that observed for iPP-exfoliated montmonillonite nanocomposites. Our compounding protocol is unable to effectively disperse the clay in the iPP at clay loadings greater than about 7.5\%. Therefore, the low frequency plateau in the melt elastic modulus and the solid tensile modulus increase with clay loading until 7.5\% but exhibit a nonmonotonic decrease at higher clay loadings.
}, issn = {0888-5885}, doi = {10.1021/ie071658p}, author = {Kumaraswamy, Guruswamy and Deshmukh, Yogesh S. and Agrawal, Vikrant V. and Nisal, Anuya} } @article { ISI:000255827100025, title = {Concise synthesis of protected (2S,4R)-4-hydroxyornithine}, journal = {Tetrahedron Letters}, volume = {49}, number = {20}, year = {2008}, month = {MAY}, pages = {3297-3299}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short synthesis of the nonproteinogenic amino acid, (2S,4R)-4-hydroxyornithine is described. Starting from racemic benzyl glycidol, the scaffold of the target compound was constructed in high enantio- and diastereoselectivity using Jacobsen{\textquoteright}s hydrolytic kinetic resolution (HKR) and regioselective opening of an epoxide as key steps. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Epoxide, Grignard reaction, hydroxyornithine, Jacobsen{\textquoteright}s HKR, Natural product}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.03.076}, author = {Pandey, Satyendra Kumar and Pandey, Menaka and Kumar, Pradeep} } @article { ISI:000259146100007, title = {Conformational preferences of hypermodified nucleoside lysidine (k(2)C) occurring at wobble position in anticodon loop of tRNA(IIe)}, journal = {Nucleosides Nucleotides \& Nucleic Acids}, volume = {27}, number = {10-11}, year = {2008}, month = {JUN}, pages = {1158-1174}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Conformational preferences of hypermodified nucleoside, 4-amino-2-(N(6)-lysino)-1-(beta-D-ribofuranosyl) pyrimidinium (Lysidine or 2-lysyl cytidine), usually designated as k(2)C, have been investigated theoretically by the quantum chemical perturbative configuration interaction with localized orbitals (PCILO) method. The zwitterionic, non-zwitterionic, neutral, and tautomeric forms have been studied. Automated geometry optimization using molecular mechanics force field (MMFF), semi-empirical quantum chemical PM3, and ab initio molecular orbital Hartree-Fock SCF quantum mechanical calculations have also been made to compare the salient features. The predicted most stable conformations of zwitterionic, non-zwitterionic, neutral, and tautomeric form are such that in each of these molecules the orientation of lysidine moiety (R) is trans to the N(1) of cytidine. The preferred base orientation is anti (chi = 3 degrees) and the lysine substituent folds back toward the ribose ring. This results in hydrogen bonding between the carboxyl oxygen O(12a) of lysine moiety and the 2{\textquoteright}-hydroxyl group of ribose sugar. In all these four forms of lysidine O(12a)...H-C(9) and O(12b)...H-N(11) interactions provide stability to respective stable conformers. Watson-Crick base pairing of lysidine with A is feasible only with the tautomeric form of usual anti oriented lysidine. This can help in recognition of AUA codon besides in avoiding misrecognition of AUG.
}, keywords = {hypermodified, k(2)C, lysidine, stable conformers}, issn = {1525-7770}, doi = {10.1080/15257770802341475}, author = {Sonawane, Kailas D. and Tewari, Ravindra} } @article { ISI:000259450800027, title = {Continuous flow nitration of salicylic acid}, journal = {Organic Process Research \& Development}, volume = {12}, number = {5}, year = {2008}, month = {SEP}, pages = {995-1000}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Continuous flow nitration of salicylic acid using HNO3/AcOH was studied in the SS316 tubular microreactor. At specific reaction conditions, complete conversion of the reactant was achieved in less than 7 min. It yielded only mononitro derivatives with a higher selectivity of 5-nitrosalicylic acid. Presence of the lower amount of acetic acid in the reaction mixture was seen to be detrimental, leading to precipitation of the desired product (5-nitrosalicylic acid). Reaction at higher temperatures yielded byproducts. The continuous mode operation using the system comprising the microdevices was demonstrated for 2 h with consistent composition at the outlet.
}, issn = {1083-6160}, doi = {10.1021/op800112u}, author = {Kulkarni, Amol A. and Nivangune, Nayana T. and Kalyani, Vishwanath S. and Joshi, Ramesh A. and Joshi, Rohini R.} } @article { ISI:000256603500023, title = {Controlled synthesis of ZnO from nanospheres to micro-rods and its gas sensing studies}, journal = {Talanta}, volume = {75}, number = {5}, year = {2008}, month = {JUN}, pages = {1315-1319}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
1D ZnO rods are synthesized using less explored hydrazine method. Here we find, besides being combustible hydrazine can also be used as a structure-directing agent. The ratio of zinc nitrate (ZN) to hydrazine is found to control the morphology of ZnO. At lower concentration of ZN as compared with hydrazine the morphology of ZnO is found to be spherical. As we increase the hydrazine content the morphology changes from spherical (diameter similar to 100 nm) to the elongated structures including shapes like Y, T as well dumbbell (diameter similar to 40 nm and length similar to 150 nm). Interestingly for more than 50\% of hydrazine ZnO micro-rods are formed. Such rods are of diameter similar to 120 mn having length of about 1 mu m for ZN to hydrazine ratio of 1:9, isolated as well as bundle of rods are seen in scanning electron microscopy (SEM). The X-ray diffraction (XRD) reveals the phase formation with average particle size of 37 nm as calculated using Scherrer{\textquoteright}s formula. The high-resolution transmission electron microscopy (HRTEM) is also done to confirm the d-spacing in ZnO. Gas sensing study for these samples shows high efficiency and selectivity towards LPG at all operating temperatures. Photoluminescence (PL) study for these samples is performed at room temperature to find potential application as photoelectric material. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Hydrazine, LPG sensor, Nanostructures, photoluminescence, ZnO}, issn = {0039-9140}, doi = {10.1016/j.talanta.2008.01.063}, author = {Navale, Shalaka C. and Gosavi, S. W. and Mulla, Imtiaz S.} } @article { ISI:000259161600016, title = {Convenient access to 1, 3,4-trisubstituted pyrazoles carrying 5-nitrothiophene moiety via 1,3-dipolar cycloaddition of sydnones with acetylenic ketones and their antimicrobial evaluation}, journal = {European Journal of Medicinal Chemistry}, volume = {43}, number = {8}, year = {2008}, month = {AUG}, pages = {1715-1720}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, type = {Article}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
Novel 1-aryl-3-(5-nitro-2-thienyl)-4-aroyl-pyrazoles 7 have been synthesized by the 1,3-dipolar cycloaddition of 3-arylsydnones 3 with 1-aryl-3-(5-nitro-2-thienyl)-2-propyn- 1-ones 6. The newly synthesized compounds were well characterized by elemental analysis, IR, (1)H NMR and mass spectral studies. They were also screened for their antibacterial and antifungal activities against a variety of microorganisms and the results of such studies have been discussed in this article. (c) 2007 Elsevier Masson SAS. All fights reserved.
}, keywords = {1, 3-dipolar cycloaddition, 5-nitrothiophene, acetylenic ketone, Antibacterial, antifungal, Pyrazole, sydnone}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2007.08.002}, author = {Rai, N. Satheesha and Kalluraya, Balakrishna and Lingappa, B. and Shenoy, Shaliny and Puranik, Vedavati G.} } @article { ISI:000256822100005, title = {Convenient synthesis of 1-acetyl-2,2-dimethyl-3-arylcyclopropanes}, journal = {Organic Preparations and Procedures International}, volume = {40}, number = {3}, year = {2008}, month = {JUN}, pages = {311-315}, publisher = {ROUTLEDGE JOURNALS, TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXFORDSHIRE, ENGLAND}, issn = {0030-4948}, author = {Muthusubramanian, Lakshmi and Mitra, Raiat B.} } @article { ISI:000252413800017, title = {Copolyester nanocomposites based on carbon nanotubes: reinforcement effect of carbon nanotubes on viscoelastic and dielectric properties of nanocomposites}, journal = {Polymer International}, volume = {57}, number = {1}, year = {2008}, month = {JAN}, pages = {114-123}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Nanocomposites based on an amorphous copolyester, poly(ethylene glycol-co-cyclohexane-1,4-dimethanol terephthalate) and carbon nanotubes were fabricated using a simple melt processing technique. The reinforcement effect of carbon nanotubes in the copolyester was investigated experimentally using different approaches based on dynamic mechanical analysis, theology and dielectric analysis. The nanocomposites show a mechanical reinforcement effect with significant increase in the stiffness especially in the rubbery regime with increasing nanotube content. An increase in T-g and a decrease in damping are seen, which are derived from the presence of a percolating superstructure of the filler. Rheological experiments show an increase in storage modulus up to four orders of magnitude. Viscolelastic characterization shows that the percolation threshold is at 3 wt\% of nanotubes. Dielectric relaxation spectroscopy confirms the presence of this percolating structure. We conclude that the responses of both rheological and electrical properties are different, although both are related to the formation of a percolating network superstructure of the filler. (c) 2007 Society of Chemical Industry.
}, keywords = {Carbon nanotubes, dielectric analysis, nanocomposites., reinforcement, viscoelastic properties}, issn = {0959-8103}, doi = {10.1002/pi.2325}, author = {Kalgaonkar, Rajendra A. and Jog, Jyoti Prakash} } @article { ISI:000254698300035, title = {Co-precipitation method for preparation of Bi3TiNbO9 powders}, journal = {Ceramics International}, volume = {34}, number = {3}, year = {2008}, month = {APR}, pages = {675-677}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A simple co-precipitation technique has been successfully used for the preparation of pure, ultrafine, single phase Bi3TiNbO9 (BTN). An aqueous ammonium hydroxide solution was used to simultaneously precipitate Bi3+, Ti4+ and Nb5+, cations as hydroxides under basic conditions (pH similar to 9). No pyrochlore phase was found while heating powder at 500 degrees C and pure BTN phase was found to be formed by X-ray diffraction (XRD). For comparison, BTN samples were also synthesized by the traditional solid state method. The sequence of phase formation in both cases were investigated by XRD studies. (c) 2007 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {Ceramics, Chemical synthesis, electronic material, Oxides, XRD}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2007.02.002}, author = {Gupta, U. N. and Samuel, V. and Muthurajan, H. and Kumar, H. H. and Patil, S. D. and Ravi, V.} } @article { ISI:000257538200034, title = {Co-precipitation technique to prepare BiNbO4 powders}, journal = {Ceramics International}, volume = {34}, number = {6}, year = {2008}, month = {AUG}, pages = {1565-1567}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A simple co-precipitation technique was successfully used for the preparation of pure ultrafine single phase BiNbO4. A standard ammonium hydroxide solution was used to precipitate Bi3+ and Ta5+ cations as hydroxides simultaneously under basic conditions. For comparison, BN powders were also prepared by the traditional solid-state method. It is observed that the co-precipitation technique produces BiNbO4 on heating at 600 degrees C, whereas complete phase formation occurs only at 800 degrees C in the solid-state method. The phase contents and lattice parameters were Studied by powder X-ray diffraction (XRD). (C) 2007 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {BiNbO4, Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2007.03.022}, author = {Radha, R. and Gupta, U. N. and Samuel, V. and Muthurajan, H. and Kumar, H. H. and Ravi, V.} } @article { ISI:000252408000041, title = {Co-precipitation technique to prepare BiTaO4 powders}, journal = {Materials Letters}, volume = {62}, number = {3}, year = {2008}, month = {FEB}, pages = {501-503}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple co-precipitation technique has been successfully used for the preparation of pure ultrafine single phase BiTaO4. A standard ammonium hydroxide solution was used to precipitate Bi3+ and Ta5+ cations as hydroxides simultaneously under basic conditions. This precursor, on heating at 600 degrees C, produced product phase. This is the lowest temperature for the formation of BiTaO4 phase so far reported in the literature. For comparison BiTaO4 powders were also prepared by the traditional solid state method. The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {BiTaO4, Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.05.074}, author = {Muthurajan, H. and Gupta, U. N. and Rituraj, B. and Rao, N. Koteswara and Pradhan, Sivaram and Radha, R. and Ravi, V.} } @article { ISI:000253642200008, title = {Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halobenzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts}, journal = {CrystEngComm}, volume = {10}, number = {3}, year = {2008}, month = {FEB}, pages = {288-296}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
{Racemic 2,6-di-O-(p-halobenzoyl)-myo-inositol 1,3,5-orthoformates (bromo (1) and chloro (2)) produced two polymorphs each, thin needle type crystals (Form I) were obtained from methanol, whereas larger rectangular crystals (Form II) were produced from ethyl acetate. Both forms could be produced concomitantly on crystallization (of 1 or 2) from ethyl acetate-light petroleum ether mixture; the yield of Form II crystal was always much more compared to Form I crystals. Although, a one-dimensional isostucturality linking molecules via O-H center dot center dot center dot O hydrogen bonding is seen in both forms, the difference arises in linking these chains. In larger Form II crystals (of 1 and 2), the adhesions are via halogen bonding (C-X center dot center dot center dot O=C
}, issn = {1466-8033}, doi = {10.1039/b712528c}, author = {Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000260728300004, title = {Cu-Ce mixed oxides supported on Al-pillared clay: effect of method of preparation on catalytic activity in the preferential oxidation of carbon monoxide}, journal = {Applied Catalysis B-Environmental}, volume = {84}, number = {1-2}, year = {2008}, month = {OCT}, pages = {21-29}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The possibility of using Al-pillared montmorillonite (Al-PILC) clay as a high-surface-area support for CuO-CeO2-based catalysts has been investigated. The preparation of the samples was done by three different methods, viz., amorphous citrate route (ACR), deposition precipitation (DP) and wet impregnation method (WIM). Samples with different CuO-CeO2 loadings (10-50 wt.\%) were prepared by each of the three methods. The catalytic activity of these samples was investigated for the preferential oxidation (PROX) of carbon monoxide (CO) in excess of H-2. The samples prepared by DP and WIM methods show better activity than the samples prepared by ACR method. At low Cu content, the samples prepared by DP method have a slight edge over samples prepared by WIM method. The DP-30 sample shows a very high CO conversion of 96.1\% at 423 K. A higher dispersion of CuO-CeO2 on pillared montmorillonite clay and better reducibility of copper oxide species may be responsible for the good activity of these samples even at lower reaction temperatures. A higher O-2/CO ratio increased the CO conversion but led to a reduction in oxidation selectivity. No methanation of CO or CO2 was observed at the reaction temperature. These CuO-CeO2/Al-PILC samples could be considered as comparable in performance with supported noble metal catalysts for the preferential oxidation of CO in excess hydrogen. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Alumina-pillared clay, Clay-supported CuO-CeO2, CuO-CeO2, PROX of CO}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2008.02.023}, author = {Ramaswamy, Veda and Malwadkar, Sachin S. and Chilukuri, Satyanarayana V.} } @article { ISI:000257838400007, title = {Cu(OTf)(2) catalyzed Biginelli type condensation of aldehydes, beta-keto esters and carbamates: synthesis of 3,4-dihydro[1,3]oxazin-2-ones}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {47}, number = {7}, year = {2008}, month = {JUL}, pages = {1091-1095}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, type = {Article}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
Cu(OTf)(2) catalyzes effectively a new multicomponent reaction comprising aldehydes, beta-ketoester and methy carbamate in acetonitrile to afford substituted 3,4-dihydro[1,3]oxazin-2-ones in 60-82\% yields. These compounds have been found to show inhibition activity against HL-60 cancer cell.
}, keywords = {aldehydes, Catalysts, Copper, Multicomponent reaction}, issn = {0376-4699}, author = {Jagdale, Arun R. and Paraskar, Abhimanyu S. and Sudalai, Arumugam} } @article { ISI:000253646700006, title = {Cyanuryl peptide nucleic acid: synthesis and DNA complexation properties}, journal = {Tetrahedron Letters}, volume = {49}, number = {8}, year = {2008}, month = {FEB}, pages = {1314-1318}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The synthesis of cyanuryl PNA monomer (CyaPNA) 6 was achieved by direct N-monoalkylation of cyanuric acid with N-(2-Boc-aminoethyl)-N{\textquoteright}-(bromoacetyl)glycyl ethyl ester 4. Compound 6 was incorporated as a T-mimic into PNA oligomers and biophysical studies on their triplexes/duplex complexes with complementary DNA oligomers indicated unusual stabilization of PNA:DNA hybrids when the cyanuryl unit was located in the middle of the PNA oligomer. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {cyanuryl PNA, PNA}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.12.095}, author = {Vysabhattar, Raman and Ganesh, Krishna N.} } @article { ISI:000256536200010, title = {De novo shoot regeneration from root cultures of garcinia indica choiss}, journal = {Indian Journal of Experimental Biology}, volume = {46}, number = {6}, year = {2008}, month = {JUN}, pages = {482-486}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
Roots of plantlets of Garcinia indica when cultured for long time on half strength MS medium supplemented with BAP (0.44-2.22 mu M) showed production of de novo shoots. Roots attached to mother plant showed more number of shoots, while excised root segments produced lesser shoots. Shoots (0.5-0.8 cm) were transferred to elongation medium consisting of Woody Plant Medium (WPM) supplemented with BAP (4.44-22.69 mu M), IAA (5.71 mu M and kinetin (4.65 mu M). It was observed that shoot length increased to 1-2 cm. WPM medium supplemented with NAA (2.69-10.74 mu M) and IBA (4.90 mu M) induced rooting within 20-25 days. Using the present protocol, 20-25 plantlets could be regenerated from single root explant within 3 to 4 months. The protocol has potential for large scale production of elite plants.
}, keywords = {Garcinia indica, guttifereae, organogenesis, roots, shoots}, issn = {0019-5189}, author = {Deodhar, Swapna R. and Thengane, R. J. and Thengane, Shubhada Ratnakar} } @article { ISI:000255704100017, title = {Density functional investigations of electronics structure and dehydrogenation reactions of Al- and Si-substituted magnesium hydride}, journal = {ChemPhysChem }, volume = {9}, number = {6}, year = {2008}, month = {APR}, pages = {928-934}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
{The effect on the hydrogen storage attributes of magnesium hydride (MgH2) of the substitution of Mg by varying fractions of Al and Si is investigated by an ab initio plane-wave pseuodopotential method based on density functional theory. Three supercells, namely, 2 x 2 x x 3 x 1 x 1 and 5 x 1 x 1 are used for generating configurations with varying amounts (fractions x=0.0625, 0.1, and 0.167) of impurities. The analyses of band structure and density of states (DOS) show that, when a Mg atom is replaced by Al, the band gap vanishes as the extra electron occupies the conduction band minimum. In the case of Si-substitution, additional states are generated within the band gap of pure MgH2-significontly reducing the gap in the process. The reduced band gaps cause the Mg-H bond to become more susceptible to dissociation. For all the fractions, the calculated reaction energies for the stepwise removal of H-2 molecules from Al- and Si-substituted MgH2 ore much lower than for H-2 removal from pure MgH2. The reduced stability is also reflected in the comparatively smaller heats of formation (Delta H-f) of the substituted MgH2 systems. Si causes greater destabilization of MgH2 than Al for each x. For fractions x = 0.167 of Al
}, keywords = {band structure, Density functional calculations, hydrides, Hydrogen storage, Thermodynamics}, issn = {1439-4235}, doi = {10.1002/cphc.200700860}, author = {Kelkar, Tuhina and Pal, Sourav and Kanhere, Dilip G.} } @article { ISI:000252569600003, title = {Development and application of a method for analysis of lufenuron in wheat flour by gas chromatography-mass spectrometry and confirmation of bio-efficacy against Tribolium castaneum (Herbst) (Coleoptera : Tenebrionidae)}, journal = {Journal of Chromatography B-Analytical Technologies in the Biomedical and Life Sciences}, volume = {861}, number = {1}, year = {2008}, month = {JAN}, pages = {16-21}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A new analytical method using gas chromatography with mass spectrometry (GC-MS) for the quantitative determination of lufenuron, a benzoylphenylurea (BPU) class of insecticide, from wheat flour has been developed and applied for time-dependant residue monitoring in treated wheat flour. The analyte was extracted from wheat flour by a single step solid-liquid extraction by using ethyl acetate and subsequently cleaned up using the Primary Secondary Amine as a sorbent prior to GC-MS analysis. The present method provides sufficient sensitivity as reflected by the values of limit of detection (LOD) and limit of quantification (LOQ), 5 ng/mL (S/N similar to 3) and 50 ng/mL (the lowest validation point on the calibration curve), respectively. The calibration curve showed an excellent linearity in the concentration range of 50-1000 ng/mL (r(2) = 0.998). The average recovery for spiked samples at three concentrations (150, 300, and 450 ng/g) was 98.23 +/- 2.52\% R.S.D. The method was applied for the determination of lufenuron residues in treated wheat flour samples. Simultaneous determination of bio-efficacy of lufenuron residues was also carried out against the red flour beetle, Tribolium castaneum to correlate the actual residual effect of lufenuron as detected by the analytical method, over a period of 3 months. The findings revealed that the residual concentration of lufenuron were neither uniform nor in descending order over a period of 3 months in wheat flour, possibly because of an uneven dispersal in the treated wheat which was subsequently milled into flour, as confirmed by GC-MS analysis. However, the residues of lufenuron were sufficient to produce 100\% mortality of T. castaneum larvae up to 3 months. The results have been discussed in view of the potential of lufenuron as a candidate molecule for the control of stored product pests. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {bio-efficacy, GC-MS, lufenuron, method development, residue analysis, Tribolium castaneum, Wheat}, issn = {1570-0232}, doi = {10.1016/j.jchromb.2007.11.026}, author = {Ahire, Kedar C. and Arora, Manjit S. and Mukherjee, Samindra N.} } @article { ISI:000252815300072, title = {Development of nanofibrous morphology in LDPE/LLDPE/PP blends and its effect on mechanical properties of blend films}, journal = {Journal of Applied Polymer Science}, volume = {107}, number = {6}, year = {2008}, month = {MAR}, pages = {4005-4012}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Nanofibrous morphology has been observed in ternary blends of low density polyethylene (LDPE), linear low density polyethylene (LLDPE), and isotactic polypropylene (PP) when these were melt-extruded via slit die followed by hot stretching. The morphology was dependent on the concentration of the component polymers in ternary blend LDPE/LLDPE/PP. The films were characterized by wide angle X-ray diffraction (XRD), scanning electron microscopy (SEM), and testing of mechanical properties. The XRD patterns reveal that the P phase of PP is obtained in the as-stretched nanofibrillar composites, whose concentration decreases with the increase of LLDPE concentration. The presence of PP nanofibrils shows significant nucleation ability for crystallization of LDPE/LLDPE blend. The SEM observations of etched samples show an isotropic blend of LDPE and LLDPE reinforced with more or less randomly distributed and well-defined nanofibrils of PP, which were generated in situ. The tensile modulus and strength of LDPE/LLDPE/PP blends were significantly enhanced in the machine direction than in the transverse direction with increasing LLDPE concentration. The ultimate elongation increased with increasing LLDPE concentration, and there was a critical LLDPE concentration above which it increased considerably. There was a dramatic increase in the falling dart impact strength for films obtained by blow extrusion of these blends. These impressive mechanical properties of extruded samples can be explained on the basis of the formation of PP nanofibrils with high aspect ratio (at least 10), which imparted reinforcement to the LDPE/LLDPE blend. (C) 2007 Wiley Periodicals, Inc.
}, keywords = {linear low density polyethylene, low density polyethylene, mechanical properties, melt-extruded films, nanofibrous morphology, polypropylene, ternary blends}, issn = {0021-8995}, doi = {10.1002/app.27630}, author = {Sonawane, Pradip S. and Radhakrishnan, S. and Bhangale, J. A. and Gadhavi, A. L. and Khare, Anagha} } @article { ISI:000260290900014, title = {Diastereoselective addition of planar N-heterocycles to vinyl sulfone-modified carbohydrates: a new route to isonucleosides}, journal = {Tetrahedron}, volume = {64}, number = {45}, year = {2008}, month = {NOV}, pages = {10406-10416}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Michael-type addition reactions of planar N-heterocycles at the C-2 positions of vinyl sulfone-modified carbohydrates provide an efficient and general route for the carbon-N-heterocycle bond formation. Therefore, the addition pattern of planar heterocycles, such as imidazole, triazole, thymine, and adenine to 3-C-phenyisulfonyl-hex-2-enopyranosides (1 alpha/1 beta) and 3-C-p-toluenesulfonyl-pent-2-enofuranosides (2 alpha/2 beta) was studied for developing a general methodology for the synthesis of new classes of isonucleosides possessing a carbon-N-heterocycle linkage at C-2 positions of furanosyl and pyranosyl sugars. To a great extent, the anomeric configurations of the starting vinyl sulfones play crucial roles in deciding the diastereoselectivity of addition of heterocycles. However, the trityl protected 3-C-p-toluenesulfonyl-hex-2-enopyranosides (33 alpha/33 beta) were judged to be More practical starting materials for desulfortylation and deprotection for the synthesis of a new class of thymine and adenine deoxyisonucleosides. (C) 2008 Elsevier Ltd. All rights reserved.
}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.08.050}, author = {Sanki, Aditya K. and Bhattacharya, Rahul and Atta, Ananta Kumar and Suresh, Cheravakkattu G. and Pathak, Tanmaya} } @article { ISI:000263686300008, title = {Dielectric relaxations in PVDF/BaTiO3 nanocomposites}, journal = {Express Polymer Letters}, volume = {2}, number = {4}, year = {2008}, month = {APR}, pages = {294-301}, publisher = {BUDAPEST UNIV TECHNOL \& ECON}, type = {Article}, address = {DEPT POLYMER ENG, MUEGYETEM RKP 3, BUDAPEST, H-1111, HUNGARY}, abstract = {
The present work aims at the study of molecular relaxations in PVDF/BaTiO3 nanocomposites using broadband dielectric spectroscopy. The nanocomposites of PVDF with BaTiO3 ( 10-30\% by wt\%) are prepared using simple melt mixing method. In dielectric permittivity study, two relaxation processes are identified corresponding to the crystalline, glass transition in the PVDF/BaTiO3 nanocomposites. The peaks shift to higher frequencies as the temperature is increased. Electric modulus formalism is used to analyze the dielectric relaxations to overcome the conductivity effects at low frequencies. In M {\textquoteleft}{\textquoteright} spectra two peaks are observed only at high temperature and low frequency whereas a single relaxation peak appears at low temperatures. The single relaxation peak appearing at low temperatures is the alpha(c) relaxation attributed to crystalline chain relaxation in PVDF and the second relaxation peak which appears only at high temperatures and at a frequency lower than alpha(c) relaxation is identified as MWS relaxation. The temperature dependence of alpha(c) relaxation and MWS relaxation follows Arrhenius type behavior.
}, keywords = {dielectric spectroscopy, Interfacial polarization, MWS relaxation, Nanocomposites}, issn = {1788-618X}, doi = {10.3144/expresspolymlett.2008.35}, author = {Chanmal, Chetan and Jog, Jyoti Prakash} } @article { ISI:000254736700028, title = {Differential accumulation of manganese in three mature tree species (Holoptelia, Cassia, Neem) growing on a mine dump}, journal = {Current Science}, volume = {94}, number = {5}, year = {2008}, month = {MAR}, pages = {639-643}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Three trees, including Cassia siamea (Cassia), Azadirachta indica (Neem), Holoptelia integrifolia (Holoptelia) belonging to three different families were identified from a manganese mine tailing dump. Manganese content in dump soil and in the stem, green leaves and dry, fallen leaves of the plants was determined. Values were compared with similar samples collected from normal vegetation. Under control condition, manganese content was highest in Cassia. Distribution of metal in samples collected from the dump site revealed that Holoptelia has a special ability to accumulate high amounts of manganese under stress condition followed by Cassia and Neem. There is no literature on metal accumulation in Holoptelia. Mechanism of manganese sequestration in Holoptelia is different from the other two trees growing in the same soil.
}, keywords = {Azadirachta indica, Cassia siamea, Holoptelia integrifolia, hyperaccumulator, manganese, mine dump}, issn = {0011-3891}, author = {Raju, D. and Kumar, Sunil and Mehta, Urmil J. and Hazra, Sulekha} } @article { ISI:000261558700024, title = {Digestive duet: midgut digestive proteinases of manduca sexta ingesting nicotiana attenuata with manipulated trypsin proteinase inhibitor expression}, journal = {Plos One}, volume = {3}, number = {4}, year = {2008}, month = {APR}, pages = {e2008}, publisher = {PUBLIC LIBRARY SCIENCE}, type = {Article}, address = {185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA}, abstract = {
Background: The defensive effect of endogenous trypsin proteinase inhibitors (NaTPIs) on the herbivore Manduca sexta was demonstrated by genetically altering NaTPI production in M. sexta{\textquoteright}s host plant, Nicotiana attenuata. To understand how this defense works, we studied the effects of NaTPI on M. sexta gut proteinase activity levels in different larval instars of caterpillars feeding freely on untransformed and transformed plants. Methodology/Principal Findings: Second and third instars larvae that fed on NaTPI-producing (WT) genotypes were lighter and had less gut proteinase activity compared to those that fed on genotypes with either little or no NaTPI activity. Unexpectedly, NaTPI activity in vitro assays not only inhibited the trypsin sensitive fraction of gut proteinase activity but also halved the NaTPI-insensitive fraction in third-instar larvae. Unable to degrade NaTPI, larvae apparently lacked the means to adapt to NaTPI in their diet. However, caterpillars recovered at least part of their gut proteinase activity when they were transferred from NaTPI-producing host plants to NaTPI-free host plants. In addition extracts of basal leaves inhibited more gut proteinase activity than did extracts of middle stem leaves with the same protein content. Conclusions/Significance: Although larvae can minimize the effects of high NaTPI levels by feeding on leaves with high protein and low NaTPI activity, the host plant{\textquoteright}s endogenous NaTPIs remain an effective defense against M. sexta, inhibiting gut proteinase and affecting larval performance.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0002008}, author = {Zavala, Jorge A. and Giri, Ashok P. and Jongsma, Maarten A. and Baldwin, Ian T.} } @article { ISI:000253334800010, title = {Dimethyl sulfoxide pivaloyl chloride: a new reagent for oxidation of alcohols to carbonyls}, journal = {Synthetic Communications}, volume = {38}, number = {5}, year = {2008}, month = {FEB}, pages = {746-753}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
An efficient procedure for conversion of alcohols to the corresponding carbonyl compounds, an alternative to the classical Swern oxidation, is described. Pivaloyl chloride is employed as a mild and inexpensive electrophile. A possible reaction mechanism is proposed.
}, keywords = {Alcohols, carbonyls, DMSO, pivaloyl chloride, Swern oxidation}, issn = {0039-7911}, doi = {10.1080/00397910701820343}, author = {Dubey, Abhishek and Kandula, Subba Rao V. and Kumar, Pradeep} } @article { ISI:000259412500020, title = {Direct H(2)-to-H(2)O(2) oxidation in aqueous acidic medium containing Br promoter over Pd/Al(2)O(3) and Pd/C catalysts thermally pretreated under different conditions}, journal = {Catalysis Letters}, volume = {125}, number = {3-4}, year = {2008}, month = {OCT}, pages = {296-301}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Influence of thermal pretreatments (under N(2), air or H(2) gas atmosphere at 500 degrees C or 700 degrees C) has been investigated for the Pd/Al(2)O(3) and Pd/Carbon catalysts in terms of its effect on their Pd particle size and performance in the H(2)-to-H(2)O(2) oxidation and H(2)O(2) destruction (by decomposition and/or hydrogenation) reactions in aqueous acidic medium containing Br promoter. The influence on the net H(2)O(2) formation is found to depend strongly upon the catalyst support due to support-Pd cluster interactions. For both the catalysts, the thermal treatments (except in air) caused a large increase in their Pd particle size. The increase in Pd particle size caused an increase in the H(2)O(2) formation activity of Pd/Al(2)O(3) but a decrease in the H(2)O(2) formation activity of Pd/C.
}, keywords = {Hydrogen peroxide, oxidation of H(2) to H(2)O(2), Pd/Al(2)O(3), Pd/C}, issn = {1011-372X}, doi = {10.1007/s10562-008-9482-9}, author = {Choudhary, Vasant R. and Jana, Prabhas and Bhargava, Suresh Kumar} } @article { ISI:000254979800018, title = {Direct oxidation of H-2 to H2O2 over different supported PdO catalysts in aqueous acidic medium: Influence of the reduction, calcination temperature and support of the catalyst on its net H2O2 formation activity}, journal = {Catalysis Communications}, volume = {9}, number = {7}, year = {2008}, month = {APR}, pages = {1624-1629}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Effects of the catalyst reduction (by hydrazine), calcination temperature (400-800 degrees C) and support (viz. Al2O3, SiO2, CeO2, ZrO2, HP or HM) on the performance of supported PdO (2.5 wt\%) catalyst in the H-2-to-H2O2 oxidation (with H-2:O-2 = 1: 1) in an aqueous acidic (0.1 M H3PO4) medium under ambient conditions have been investigated. All the supported PdO catalysts showed lower H2 conversion activity, but higher H2O2 selectivity, as compared to their reduced counter parts. The catalyst performance for the net H2O2 formation is strongly influenced by both the support and calcination temperature of the supported PdO catalysts. The catalysts calcined at 400 degrees C showed better performance. Among the catalysts, PdO/Al2O3 catalyst (calcined at 400 degrees C) showed the best performance (17.0\% H2O2 yield) in the H-2-to-H2O2 oxidation. The influence of the calcination temperature of PdO/Al2O3 catalyst on its H2O2 decomposition and hydrogenation activities has also been investigated. Both the H2O2 decomposition and hydrogenation activities increased with increasing the calcination temperature. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Hydrogen peroxide, oxidation of H-2 to H2O2, supported PdO catalysts}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.01.012}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000254794300007, title = {Direct oxidation of H-2 to H2O2 over Pd/CeO2 catalyst under ambient conditions: influence of halide ions}, journal = {Chemical Engineering Journal}, volume = {136}, number = {2-3}, year = {2008}, month = {MAR}, pages = {126-132}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Direct oxidation of H-2 by O-2 to H2O2 and decomposition/hydrogenation of H2O2 have been investigated over Pd/CeO2 catalyst in presence of different halide ions. All reactions were carried out in an aqueous acidic (0.03 M H3PO4) medium at room temperature (25 degrees C) and atmospheric pressure. When different halide ions were added directly to the reaction medium or incorporated in the catalyst, the activity/selectivity of Pd/CeO2 catalyst in the H-2 to H2O2 oxidation changed significantly, depending upon the nature of the halide ions. Different ammonium halides impregnated reduced Pd/CeO2 catalyst calcined under inert (flowing nitrogen) and oxidizing (static/flowing air) gaseous atmospheres revealed that bulk oxidation state of Pd and the nature of the halide ions incorporated into the catalyst cooperatively control the activity/selectivity of catalyst in H-2 to H2O2 oxidation. Both H2O2 decomposition and hydrogenation were found to affect strongly depending upon the nature of the halide ions present in the reaction medium or in the catalyst. Among the different halides, bromide was found the most effective promoter for enhancing the H2O2 yield/selectivity in H-2 to H2O2 oxidation, irrespective of the Pd oxidation state in the catalyst. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Br- ions, H-2 to H2O2 oxidation, H2O2 decomposition, H2O2 hydrogenation, Pd/CeO2 catalyst}, issn = {1385-8947}, doi = {10.1016/j.cej.2007.03.016}, author = {Samanta, Chanchal and Choudhary, Vasant R.} } @article { ISI:000259104700018, title = {Direct oxidation of H-2 to H2O2 over PdO/Al2O3 catalysts in aqueous acidic medium: influence on H2O2 formation of Pd loading, calcination temperature and reduction of catalyst and presence of halide anions}, journal = {Catalysis Communications}, volume = {9}, number = {14}, year = {2008}, month = {AUG}, pages = {2371-2375}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Effects of the Pd loading (0.2-10 wt\%), calcination temperature (400-900 degrees C) and reduction of PdO/Al2O3 on its performance in the H-2-to-H2O2 oxidation (with H-2/O-2 = 1:1) in an aqueous 0.1 M H3PO4 medium, in the absence and presence of different halide anions, under ambient conditions have been investigated. The effect of calcination temperature on the H2O2 formation varied depending upon the Pd loading. The influence of the different halide anions was found to depend strongly on the nature of halide anion (F-, Cl-, Br- or I-) and the oxidation state of Pd and its loading in the catalyst. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {halide catalyst promoters, Hydrogen peroxide, oxidation of H-2 to H2O2, Pd/Al2O3, PdO/Al2O3}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.05.034}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000259484700016, title = {Direct shoot organogenesis and plant regeneration from hypocotyl explants in selected genotypes of Leucaena leucocephala - a leguminous pulpwood tree}, journal = {Indian Journal of Biotechnology}, volume = {7}, number = {3}, year = {2008}, month = {JUL}, pages = {388-393}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, type = {Article}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
An efficient in vitro plant regeneration system in subabul (Leucaena leucocephala), a leguminous pulp wood tree species, was established. The induction of shoots was achieved from selected elite clones of subabul K-8, K-636 and also wild type on MS medium supplemented with 2\% sucrose and different concentrations (0.88 to 24.6 mu M) of plant growth regulators (BA, Kn, 2iP \& TDZ). The best medium for shoot regeneration was MS with 22.2 mu M BA (5 shoots per explant), followed by 22.7 mu M TDZ (4.6 shoots per explant). Addition of putriscine (9.3 mu M) to MS medium containing 22.2 mu M BA enhanced the number of multiple shoots to 7-8 but not the frequency of response. Shoot initials (measuring 1 cm) when separated and transferred on to MS medium containing 1.4 mu M GA(3) elongated to 2-5 cm in 15.20 d with 80\% frequency. The per cent frequency of shoot differentiation was almost identical in the genotypes K-8 and K-636 but it differed significantly from the wild type. Leaf yellowing and abscission in all the genotypes was curtailed by supplementing the medium with 685 mu M glutamine or 540 mu M adenine. The excised shoots were transferred to root regeneration media containing 2.46 and 4.98 mu M IBA or 2.6 and 5.3 mu M NAA. Root regeneration was noticed with 100\% frequency in all the three genotypes in presence of IBA or NAA. Plantlets were transferred successfully to the pots with 70\% survival rate with no visible morphological variations. The protocol can be utilized for mass propagation and genetic transformation studies of this important pulpwood species.
}, keywords = {hypocotyl explants, Leucaena lucocephala, pulpwood leguminous tree, shoot organogenesis}, issn = {0972-5849}, author = {Sirisha, V. L. and Prashant, S. and Ranadheer, D. and Ramprasad, P. and Shaik, N. M. and Arha, Manish and Gupta, S. K. and Srivastava, Sarneer and Yadav, A. K. and Kulkarni, P. S. and Othalathara U. Abhilash and Khan, Bashir Mohammad and Rawal, Shuban K. and Kishor, P. B. Kavi} } @article { ISI:000260944500001, title = {Direct synthesis of hydrogen peroxide from hydrogen and oxygen: an overview of recent developments in the process}, journal = {Applied Catalysis A-General}, volume = {350}, number = {2}, year = {2008}, month = {NOV}, pages = {133-149}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Hydrogen peroxide (H(2)O(2)) is an important commodity chemical and its demand is growing significantly in the chemical synthesis due to its {\textquoteleft}{\textquoteleft}green{\textquoteright}{\textquoteright} character. Currently, H(2)O(2) is produced almost exclusively by the anthraquinone auto-oxidation (AO) process. The AO process involves indirect oxidation of hydrogen and thus avoids potentially explosive H(2)/O(2) mixture. However, this large-scale process presents significant safety issues associated with the transport of bulk H(2)O(2). Moreover, the AO process can hardly be considered ail environmentally friendly method. In view of this, more economical and environmentally cleaner routes have been explored for the production of H(2)O(2). The liquid-phase catalytic direct synthesis of H(2)O(2) from H(2) and O(2) offers an attractive green technology for small-scale/onsite production of H(2)O(2). However, the direct synthesis process suffers from two major drawbacks: (i) potential hazards associated with H(2)/O(2) mixtures and (ii) poor selectivity for H(2)O(2) because the catalysts used for H(2)O(2) synthesis are also active for its decomposition and hydrogenation to water as well as for H(2) combustion. These serious issues and the recent developments in the direct H(2)O(2) synthesis are discussed in this review. The roles of protons (H(+)) and halide ions in promoting the H(2)O(2) selectivity are also examined in detail. (C) 2008 Elsevier B.V. All rights reserved
}, keywords = {Bimetallic catalysts, Direct H(2)O(2) synthesis, Microreactor technology, Pd catalysts}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.07.043}, author = {Samanta, Chanchal} } @article { ISI:000255448400001, title = {Distributed chemical computing using chemstar: an open source java remote method invocation architecture applied to large scale molecular data from pubchem}, journal = {Journal of Chemical Information and Modeling}, volume = {48}, number = {4}, year = {2008}, month = {APR}, pages = {691-703}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
present the application of a Java remote method invocation (RMI) based open source architecture to distributed chemical computing. This architecture was previously employed for distributed data harvesting of chemical information from the Internet via the Google application programming interface (API; ChemXtreme). Due to its open source character and its flexibility, the underlying server/client framework can be quickly adopted to virtually every computational task that can be parallelized. Here, we present the server/client communication framework as well as an application to distributed computing of chemical properties on a large scale (currently the size of PubChem; about 18 million compounds), using both the Marvin toolkit as well as the open source JOELib package. As an application, for this set of compounds, the agreement of log P and TPSA between the packages was compared. Outliers were found to be mostly non-druglike compounds and differences could usually be explained by differences in the underlying algorithms. ChemStar is the first open source distributed chemical computing environment built on Java RMI, which is also easily adaptable to user demands due to its {\textquoteleft}{\textquoteleft}plug-in architecture{\textquoteright}{\textquoteright}. The complete source codes as well as calculated properties along with links to PubChem resources are available on the Internet via a graphical user interface at http://moltable.nel.res.in/chemstar/.
}, issn = {1549-9596}, doi = {10.1021/ci700334f}, author = {Karthikeyan, Muthukumarasamy and Krishnan, S. and Pandey, Anil Kumar and Bender, Andreas and Tropsha, Alexander} } @article { ISI:000256441200268, title = {Di-tert-butyl N,N {\textquoteleft}-(octahydropentalene-2,5-diyl) dicarbamate}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {64}, number = {6}, year = {2008}, month = {JUN}, pages = {O1149-U2804}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
In the molecule of the title compound, C18H32N2O4, the central bicyclo[3.3.0] octane (octahydropentalene) has a rigid ring junction. Both rings of the bicyclo[3.3.0] octane unit adopt an envelope conformation, and the flexible tert-butylcarbamoyl side chains each have an extended conformation. Such a constrained bicyclo[3.3.0] octane aliphatic template is of interest with respect to the design of novel self-assembling motifs. Molecules related by c-glide symmetry are linked via intermolecular N-H center dot center dot center dot O hydrogen bonds, forming a two-dimensional layer structure. Neighboring layers are weakly associated along the a axis due to the close approach of the tert-butylcarbamoyl groups (2.55 angstrom).
}, issn = {1600-5368}, doi = {10.1107/S1600536808014876}, author = {Kendhale, Amol M. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article { ISI:000260255800065, title = {Divergent nanostructures from identical ingredients: unique amphiphilic micelle template for polyaniline nanofibers, tubes, rods, and spheres}, journal = {Macromolecules}, volume = {41}, number = {20}, year = {2008}, month = {OCT}, pages = {7706-7715}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Here, we report a unique soft templating approach based oil all in-built amphiphilic azobenze-nesulfonic acid for tuning various types of polyaniline nanomaterials Such as fibers, rods, spheres, and tubes. The dopant molecule is freely soluble in water, and DLS measurements Of the resultant Solution revealed that it forms spherical micelles of diameter similar to 4.29 nm. The addition of aniline induces self-organization in the dopant micelles which produce micrometer-sized cylindrical aggregates or layerlike assemblies depending upon the aniline/dopant composition in the feed. In the emulsion route. the oxidation of these cylindrical or layerlike micelle aggregates produce nanofibers and nanotubes, respectively. The dilution of thick emulsion microaggregates led to the formation Of uniformly distributed small 175 nm aggregated micelles. which template for the nanorods (dilution route). Alternatively, the dopant micelles form spherical shape aggregates with oxidizing agent ammonium persulfate (APS) in water. Aniline molecules diffuse through the organic/aqueous interface and get absorbed at these spherical aggregates, and subsequent chemical oxidation produces exclusively polyaniline nanospheres (interfacial route). The mechanism of the polyaniline nanomaterials formation was investigated by dynamic light scattering (DLS) and high-resolution transmission electron microscopy (TEM). DLS studies of the polymerization mixtures in water evident for the formation of micrometer range aggregates. TEM analysis confirmed the shape of the template as cylindrical, cylindrical + spherical, and spherical geometry for the complexes of dopant with aniline and APS in the emulsion, dilution, and interfacial routes, respectively. The amphiphilic nature of the dopant solubilizes the nanomaterials in water and organic solvents, and the optical properties of nanomaterials were studied in various solvents by UV-vis spectroscopy. The wide-angle X-ray diffraction Studies confirmed the appearance of a new peak at lower angle (d = 13.6 angstrom) corresponding to the highly crystalline and ordered polyaniline nanomaterials. The solid-state properties of the nanomaterials were found to he highly dependent on the size and shape of polymerization templates employed for the synthesis.
}, issn = {0024-9297}, doi = {10.1021/ma801090f}, author = {Anilkumar, P. and Jayakannan, M.} } @article { ISI:000256081700004, title = {Double metal cyanides as efficient solid acid catalysts for synthesis of beta-amino alcohols under solvent-free conditions}, journal = {Catalysis Letters}, volume = {123}, number = {1-2}, year = {2008}, month = {JUN}, pages = {24-31}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
A novel application of Fe-Zn double metal cyanide complexes as solid, acid catalysts for regioselective synthesis of beta-amino alcohols under solvent-free conditions via ring-opening of epoxides with amines is reported for the first time. The conversion of epoxides to beta-amino alcohols is nearly 100\%. In the reaction with styrene oxide, regioselective beta-amino alcohol formation is higher with aromatic than with aliphatic amines. Strong Lewis acidic Zn(2+) ions in the catalyst are probably the active sites in this reaction.
}, keywords = {beta-Amino alcohols, double metal cyanide (DMC), regioselective ring-opening of epoxides, Single crystal x-ray structure, solid Lewis-acid catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-008-9410-z}, author = {Saikia, Lakshi and Satyarthi, J. K. and Gonnade, Rajesh G. and Srinivas, Darbha and Ratnasamy, P.} } @article { ISI:000263917200017, title = {Dr. Y. S. Kulkarni (1910-2008) Obituary}, journal = {Indian Journal of Microbiology}, volume = {48}, number = {3}, year = {2008}, month = {SEP}, pages = {408}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0046-8991}, doi = {10.1007/s12088-008-0050-1}, author = {Deshpande, Mukund V.} } @article { ISI:000259273200027, title = {Durability of crosslinked polydimethylsyloxanes: the case of composite insulators}, journal = {Science and Technology of Advanced Materials}, volume = {9}, number = {2}, year = {2008}, note = {International Conference on Magneto-Science, Hiroshima, JAPAN, NOV, 2007}, month = {JUN}, pages = {024406}, publisher = {NATL INST MATERIALS SCIENCE}, type = {Article}, address = {NATL INST MATERIALS SCIENCE, 1-2-1 SENGEN, TSUKUBA-CITY, IBARAKI, 305-0047, JAPAN}, abstract = {
Most applications of silicones are linked to their hydrophobic properties and (or) their high resistance to ageing (e. g. thermal ageing and photoageing). However, when placed in extreme environments, these materials can fail as in the case of epoxy/fiber glass composite powerlines insulators, where crosslinked polymethylsyloxanes (PDMSs) are used as the protective envelope (housing) of the insulator. We report on the behavior of both pure/noncrosslinked PDMSs and typical formulations used in industrial insulators, i.e. containing peroxide crosslinked PDMS, alumina trioxide hydrated (ATH) and silica. Special attention is paid on both (i) the sources of potential degradation and (ii) the best analytical methods that can be applied to the study of very complex formulations. (i) Aside from conventional types of ageing such as photo-ageing and thermal, hydrolytic, and service life ageings, treatments with acidic vapors, plasma and ozone possibly generating species from the reaction of a high electric field with air were also performed, which allowed to accelerate electrical and out-door ageings and to obtain differently aged materials. (ii) Aside from conventional analytical methods of polymer degradation such as FTIR/ATR spectroscopy and SEC, TG, hardness measurements, more specific methods like photo/DSC, TG/IR, thermoporosimetry, resistivity and density measurements were also performed to characterize the chemical and physical evolutions of polymer materials. In particular, it was found that treatment with nitric acid vapor has detrimental effects on the properties of both fire retardants (e. g. ATH) and PDMSs, affecting the hardness and resistivity of the formulated material.
}, keywords = {composite insulators, durability, PDMS, post-crosslinking, silicone}, issn = {1468-6996}, doi = {10.1088/0031-8949/9/2/024406}, author = {Delor-Jestin, Florence and Tomer, Namrata S. and Singh, Raj Pal and Lacoste, Jacques} } @article { ISI:000255305200006, title = {Effect of fuel and its concentration on the nature of Mn in Mn/CeO2 solid solutions prepared by solution combustion synthesis}, journal = {Acta Materialia}, volume = {56}, number = {7}, year = {2008}, month = {APR}, pages = {1461-1472}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Nano and microcrystalline, Mn/CeO2 solid solutions (5 mol.\% Mn) have been prepared by solution combustion synthesis using urea, glycine or polyethylene glycol (PEG) as fuel. The nature of the fuel and its concentration (fuel to metal mole ratio, F/M have a strong influence on the physical and chemical characteristics of the resulting Mn/CeO2 solid solutions. The variations in the physicochemical properties are attributed to differences in (i) the adiabatic/real flame temperature realized with these fuels at different F/M ratios; (ii) the sustenance of the temperature or the quenching effect of the fuel at higher F/M ratios; (iii) combustion or decomposition of the precursors as the main course of the reaction; and (iv) the generation of gaseous products during combustion. Since the addition of the fuel to the initial precursor solution does not change the pH of the medium, the differences in the type of Mn species formed are mainly attributed to the combustion process. (C) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Combustion synthesis, Mn-ceria, Nanocomposites, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS)}, issn = {1359-6454}, doi = {10.1016/j.actamat.2007.11.035}, author = {Murugan, B. and Ramaswamy, A. V. and Srinivas, D. and Gopinath, Chinnakonda S. and Ramaswamy, Veda} } @article { ISI:000255686900001, title = {Effect of gold dispersion on the photocatalytic activity of mesoporous titania for the vapor-phase oxidation of acetone}, journal = {International Journal of Photoenergy}, year = {2008}, month = {JAN}, pages = {Article No. 789149}, publisher = {HINDAWI PUBLISHING CORPORATION}, type = {Article}, address = {410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USA}, abstract = {
Mesostructured titanium dioxide photocatalyst, having uniform crystallite size (6-12 nm) and average pore diameter of similar to 4.2 nm, was synthesized by using a low-temperature nonsurfactant hydrothermal route, employing tartaric acid as a templating agent. Gold additions from 0.5 to 2wt\% were incorporated, either during the hydrothermal process or by postsynthesis wet impregnation. Compared to the impregnation-prepared samples, the samples synthesized hydrothermally contained smaller-size (\<= 1 nm) gold clusters occluded in the pores of the host matrix. Whereas CO(2) and H(2)O were the main reaction products in UV-assisted vapor-phase oxidation of acetone using these catalysts, C(2)H(6) and HCO(2)CH(3) were also produced for higher acetone concentrations in air. The conversion of acetone was found to increase with decrease in the size of both TiO(2) and gold particles. In situ IR spectroscopy revealed that titania and gold particles serve as independent adsorption and reaction sites for acetone and oxygen molecules. Acetone molecules adsorb exclusively at TiO(2) surface, giving rise to a strongly adsorbed (condensed) state as well as to the formation of formate- and methyl formate- type surface species. Hydroxyl groups at titania surface participate directly in these adsorption steps. Nanosize gold particles, on the other hand, were primarily responsible for the adsorption and activation of oxygen molecules. Mechanistic aspects of the photochemical processes are discussed on the basis of these observations. Copyright (C) 2008.
}, issn = {1110-662X}, doi = {10.1155/2008/789149}, author = {Awate, S. V. and Belhekar, Anagha A. and Bhagwat, S. V. and Kumar, R. and Gupta, N. M.} } @article { ISI:000260283800018, title = {Effect of hydrodynamic cavitation on zooplankton: a tool for disinfection}, journal = {Biochemical Engineering Journal}, volume = {42}, number = {3}, year = {2008}, month = {DEC}, pages = {320-328}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Application of hydrodynamic cavitation for disinfection of water is gaining momentum, as it provides environmentally and economically sound options. In this effort, the effect of cavitating conditions created by differential pump valve opening and that created by flowing through a cavitating element (orifice plates) on the microbes (zooplankton in sea water) is described. The experimental results are compared with modelling of cavitating conditions that includes cavity dynamics, turbulence generated by individual oscillating cavity, cell wall strength and geometrical and operating parameters of cavitation device. Theoretical model for quantifying the cavitationally generated turbulent shear and extent of microbial disinfection has been developed. Experimental results indicated that cavitation and/or turbulent fluid shear dominantly originating from cavitation are effective tools for sea water disinfection as more than 80\% of the zooplankton present in the sea water were killed. It was also observed that shock waves generated due to cavitation is not the sole cause for zooplankton disruption. A correct physical mechanism accounting fluid turbulence and shear, generated from stable oscillation of cavity, significantly contribute towards the disruption. Further refinement of the model presented will serve as a basis for higher degree of disinfection and provide a practical tool for sea water disinfection. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Cell disruption, heat transfer, Hydrodynamic cavitation, Modelling, Wastewater treatment, Zooplankton}, issn = {1369-703X}, doi = {10.1016/j.bej.2008.08.001}, author = {Sawant, Subhash Shivram and Anil, Arga Chandrashekar and Krishnamurthy, Venkat and Gaonkar, Chetan and Kolwalkar, Janhavi and Khandeparker, Lidita and Desai, Dattesh and Mahulkar, Amit Vinod and Ranade, Vivek Vinayak and Pandit, Aniruddha Balchandra} } @article { ISI:000259755300059, title = {Effect of organic modifiers and silicate type on filler dispersion, thermal, and mechanical properties of ABS-Clay nanocomposites}, journal = {Journal of Applied Polymer Science}, volume = {110}, number = {4}, year = {2008}, month = {NOV}, pages = {2374-2383}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Acrylonitrile-butadiene-styrene (ABS)-clay composite and intercalated nanocomposites were prepared by melt processing, using Na-montmorillonite (MMT), several chemically different organically modified MMT (OMMT) and Na-laponite clays. The polymer-clay hybrids were characterized by WAXD, TEM, DSC, TGA, tensile, and impact tests. Intercalated nanocomposites are formed with organoclays, a composite is obtained with unmodified MMT, and the nanocomposite based on synthetic laponite is almost exfoliated. An unintercalated nanocomposite is formed by one of the organically modified clays, with similar overall stack dispersion as compared to the intercalated nanocomposites. T, of ABS is unaffected by incorporation of the silicate filler in its matrix upto 4 wt \% loading for different aspect ratios and organic modifications. A significant improvement in the onset of thermal decomposition (40-44 degrees C at 4 wt \% organoclay) is seen. The Young{\textquoteright}s modulus shows improvement, the elongation-at-break shows reduction, and the tensile strength shows improvement. Notched and unnotched impact strength of the intercalated MMT nanocomposites is lower as compared to that of ABS matrix. However, laponite and overexchanged organomontmorillonite clay lead to improvement in ductility. For the MMT clays, the Young{\textquoteright}s modulus (E) correlates with the intercalation change in organoclay interlayer separation (Delta d(001)) as influenced by the chemistry of the modifier. Although ABS-laponite composites are exfoliated, the intercalated OMMT-based nanocomposites show greater improvement in modulus. (C) 2008 Wiley Periodicals, Inc. J Appl Polym Sci 110:2374-2383, 2008
}, keywords = {clay, filler, mechanical, structure characterization, styrene-butadiene}, issn = {0021-8995}, doi = {10.1002/app.28699}, author = {Tiwari, Rajkiran R. and Natarajan, Upendra} } @article { ISI:000255689100002, title = {Effect of repeated in vitro sub-culturing on the virulence of metarhizium anisopliae against helicoverpa armigera (Lepidoptera : Noctuidae)}, journal = {Biocontrol Science and Technology}, volume = {18}, number = {4}, year = {2008}, month = {MAY}, pages = {337-355}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
The effect of repeated conidial sub-culturing of Metarhizium anisopliae on its virulence against Helicoverpa armigera (Hbner) was studied. The LT(50) observed against third instar larvae of H. armigera for the first sub-culture was 3.4 days; it increased to 4.5 and 5.6 days for the 20th and the 40th sub-cultures, respectively. The LT50 values after passage of the 40th sub-culture on H. armigera decreased to 4.4 and 3.7 days for the 40th (first in vivo) and the 40th (fifth in vivo) passages, respectively. Similarly, the LC(50) of M. anisopliae towards third instar larvae of H. armigera increased from the first sub-culture (0.17x10(4)) to (3.0x10(4)) for the 40th conidial transfers on potato dextrose agar and again decreased to 0.74x10(4) and 0.23x10(4) in the 40th (first in vivo) and the 40th (fifth in vivo) passage, respectively. Similar trends for LC(50) and LT(50) values were seen when sugarcane woolly aphid, Ceratovacuna lanigera Zehntner was used as a host. Significant variation in appressorium formation and cuticle-degrading enzyme production such as chitinase, chitin deacetylase, chitosanase and protease during subsequent sub-culturing and passage through H. armigera was observed. Though there was no effect on internal transcribed spacer (ITS) sequence pattern, interestingly, in randomly amplified polymorphic DNA (RAPD), significant differences in the band intensities and in the banding pattern for different sub-cultures of M. anisopliae were observed. As stable virulence towards the insect pest is desirable for commercialisation of a mycoinsecticide, such changes in virulence due to repeated in vitro transfer need to be monitored and minimised.
}, keywords = {appressorium formation, chitin deacetylase, chitinase, Helicoverpa armigera, in vitro sub-culturing, Lipase, Metarhizium anisopliae, Protease}, issn = {0958-3157}, doi = {10.1080/09583150801935650}, author = {Nahar, Pallavi B. and Kulkarni, Shuklangi A. and Kulye, Mahesh S. and Chavan, Santosh B. and Kulkarni, Girish and Rajendran, Armugham and Yadav, Priya D. and Shouche, Yogesh and Deshpande, Mukund V.} } @article { ISI:000256410700035, title = {Effect of sintering conditions and microstructure on the magnetostrictive properties of cobalt ferrite}, journal = {Journal of the American Ceramic Society}, volume = {91}, number = {6}, year = {2008}, month = {JUN}, pages = {1976-1980}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
The effects of sintering temperature and dwell time on the magnetostrictive properties of polycrystalline cobalt ferrite synthesized by the conventional ceramic method have been investigated. The present study showed that the magnitude of magnetostriction strongly depends on the microstructure of the final sintered product. The presence of small and uniform grains with less porous structure in the sintered material leads to enhancement of the magnetostrictive strain. Higher magnetostriction is obtained for samples sintered at a relatively lower temperature of 1100 degrees C. These results are further corroborated by analyzing the effect of some additives during sintering on the microstructural and magnetostrictive properties.
}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2008.02367.x}, author = {Bhame, Shekhar D. and Joy, Pattayil Alias} } @article { ISI:000258437100008, title = {Effect of synthesis procedure on the structure and properties of palladium/polycarbonate nanocomposites}, journal = {Polymer}, volume = {49}, number = {16}, year = {2008}, month = {JUL}, pages = {3413-3418}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
In this paper, we compare two procedures for the synthesis of palladium (Pd)/polycarbonate (PC) nanocomposites as well as their morphological, optical, thermal and electrical properties. Pd nanoclusters were produced by the reduction of palladium chloride using a variation of Brust{\textquoteright}s method. Discrete I{\textquoteright}d nanoclusters of similar to 15 nm size were formed in the absence of PC in the reaction mixture (ex situ method) while agglomeration of Pd nanoclusters was noticed in the presence of PC in the reaction mixture (in situ method). Fourier transform infrared spectroscopy (FTIR) suggests nanoparticle-polymer interactions and polymer conformational changes in the in situ nanocomposite films. Even after having the same Pd content, the ex situ nanocomposites films were found to transmit more light than the in situ nanocomposites. The glass transition temperature (T-g), decreased by similar to 16 degrees C for both the ex situ and in situ samples. Thermogravimetric analysis (TGA) indicated that the presence of Pd nanoclusters significantly improved the thermal stability of the nanocomposites, as evidenced by the enhanced onset of degradation by similar to 20 degrees C and similar to 40 degrees C for the in situ and ex situ nanocomposites, respectively. The electrical conductivity measurement shows a dramatic difference between these nanocomposites with a significantly higher value for the in situ nanocomposite (resistivity = 2.1 X 10(5) Omega m) compared to the ex situ nanocomposite (resistivity = 7.2 x 10(13) Omega m). (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {in situ and ex situ syntheses, Morphology, Nanocomposites}, issn = {0032-3861}, doi = {10.1016/j.polymer.2008.05.036}, author = {Valmikanathan, O. P. and Ostroverkhova, O. and Mulla, Imtiaz S. and Vijayamohanan, K. and Atre, S. V.} } @article { ISI:000256086600009, title = {Effect of TDZ and 2, 4-D on peanut somatic embryogenesis and in vitro bud development}, journal = {Plant Cell Tissue and Organ Culture}, volume = {94}, number = {1}, year = {2008}, month = {JUL}, pages = {85-90}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Failure of peanut somatic embryos to convert into plantlets is attributed to the abnormal development of the plumule. Thidiazuron (TDZ) was effective in the conversion of peanut somatic embryos to plantlets by triggering morphogenetic activity in the abnormal plumules of the rooted somatic embryos. The present study aimed to induce normal embryo differentiation by culturing the embryogenic masses in embryo development medium containing 2,4-D and various concentrations of TDZ. Although this was not achieved due to restricted somatic embryo development in the presence of TDZ, bud-like projections appeared in the embryogenic masses when these were cultured in media containing combinations of 2,4-D and TDZ. These projections developed into buds, which subsequently formed shoots and plantlets. The response varied with the concentration and exposure of TDZ. At lower concentrations, the buds appeared in a defined row in the equatorial region of the explant, and with extended incubation, more and more buds appeared in rows alongside the initial row. Induction of multiple buds in a defined row in this specific site (equatorial region) suggested the presence of potent cells around this region. At higher concentrations, these projections appeared in large numbers spread over the whole upper part of the embryogenic mass starting from the equatorial region. The ability of embryogenic mass to convert into organogenic mass and to produce large number of organogenic buds provides an excellent system for basic studies and for the genetic transformation of peanut.
}, keywords = {Arachis hypogaea, embyogenic mass, somatic embryogenesis, thidiazuron}, issn = {0167-6857}, doi = {10.1007/s11240-008-9390-0}, author = {Joshi, Madhumita and Sujatha, K. and Hazra, Sulekha} } @article { ISI:000257834700017, title = {Effective arsenic removal using polyacrylonitrile-based ultrafiltration (UF) membrane}, journal = {Journal of Membrane Science}, volume = {320}, number = {1-2}, year = {2008}, month = {JUL}, pages = {159-166}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Applicability of polyacrylonitrile (PAN)-based negatively charged ultrafiltration (UF) membrane for effective arsenic removal has been demonstrated, to our knowledge, for the first time. The hydrolysis of PAN-based UF membrane surface by NaOH leading to the formation of carboxylate (-COO-) groups and reduction in initial pore size rendered As-V rejection capability by Donnan exclusion principle. A lowering in pore size was indicated by the reduction in water flux and elevation in rejection of protein and polyethylene glycol (PEG). NaOH treatment leading to formation of carboxylate group on the membrane surface was indicated by FTIR-ATR, while contact angle measurement indicated increased hydrophilicity. This treatment rendered membrane surface smoothening as confirmed by SEM and AFM analyses. The molecular weight cut off after the NaOH treatment was found to be similar to 6 kDa. The rejection of pentavalent arsenic (As-V) by these surface modified membranes was studied with different feed concentration, cross-flow velocity, pressure, temperature and pH. Experiments with 50 ppb As-V in feed showed that arsenic rejection was close to 100\% and remained constant up to 6 h. Feed sample concentration of 1000 ppb and 50 ppm of As-V showed \>95\% rejection at pH 7 and room temperature, but for 1000 ppm feed concentration, the rejection was 40-65\%. For concentrations \<= 50 ppm of arsenic in the feed, the rejection coefficient was not dependent on cross-flow velocity or transmembrame pressure. The rejection for 1000 ppm. concentration of As-V varied from 40 to 65\% with variation in the cross-flow velocity and transmembrane pressure as the concentration polarization was important. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Arsenic rejection, concentration polarization, cross-flow velocity, Polyacrylonitrile, surface modification, Ultrafiltration}, issn = {0376-7388}, doi = {10.1016/j.memsci.2008.03.068}, author = {Lohokare, Harshada R. and Muthu, M. R. and Agarwal, Gopal P. and Kharul, Ulhas K.} } @article { ISI:000260843200008, title = {Efficacy of 4-methyl-7-hydroxy coumarin derivatives against vectors aedes aegypti and culex quinquefasciatus}, journal = {Indian Journal of Experimental Biology}, volume = {46}, number = {11}, year = {2008}, month = {NOV}, pages = {788-792}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
4-Methyl-7-hydroxy coumarin is considered as a lead molecule as a biopesticide. Its mono bromo and tribromo derivatives were synthesized. Two more derivatives were synthesized by acylation. Compound 1 (3.6,8-tribromo-7-hydroxy-4-methyl-chromen-2-one) was found to be the most potent against IV(th) instar larvae of C. quinquefasciatus and A. aegypti the LC(50) being 1.49 and 2.23 ppm respectively. It showed 100\% larval mortality at 25 ppm against A. aegypti and at 10 ppm against C. quinquefasciatus. Compounds 1 and 2 (3,6,8-tribromo-7-hydroxy-4-methyl-chromen-2{\textquoteright}-oxo-2H-chromen-7-yl acetate) showed remarkable ovicidal activity. Significant reduction of 80-85\%, hatching of eggs of both mosquito species was observed at the highest dose of 100 ppm. The hatched larvae showed 100\% mortality in the successive instars. Compounds 3 and 4 (3-bromo-7-hydroxy-4-methyl-chromen-2-one and 3-bromo-4-methyl-2{\textquoteright}-oxo-2H-chromen-7-yl acetate) showed moderate activity against both mosquito species.
}, keywords = {4-Methyl-7-hydroxy coumarin, Aedes aegypti, Culex quinquefasciatus, Larval mortality, Ovicidal activity}, issn = {0019-5189}, author = {Deshmukh, Madhavi and Pawar, Pushpa and Joseph, Mary P. and Phalgune, Usha and Kashalkar, Rajashree and Deshpande, Nirmala R.} } @article { ISI:000260411100014, title = {Efficient and eco-friendly synthesis of 2-amino-1,3-selenazoles in an ionic liquid/water system under ambient conditions}, journal = {Arkivoc}, number = {12}, year = {2008}, month = {JAN}, pages = {117-125}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
An efficient and eco-friendly synthesis of 2-amino-1,3-selenazoles in ionic liquid/water solvent system is described. The paper describes synthesis of 2-amino-1,3-selenazoles by condensation of various phenacyl bromide with selenourea under ambient conditions in short reaction times. This protocol has notable advantages such as the absence of any added catalyst, simple operation and excellent yields of products and recyclability of the ionic liquid.
}, keywords = {2-Amino-1, 3-selenazoles, ambient conditions, heterocycles, ionic liquid/water system, selenoureas, substituted phenacyl bromide}, issn = {1551-7004}, author = {Potewar, Taterao M. and Ingale, Sachin A. and Srinivasan, Kumar V.} } @article { ISI:000252339100015, title = {Efficient method for the synthesis of acylals from aldehydes under solvent-free conditions catalyzed by antimony trichloride}, journal = {Synthetic Communications}, volume = {38}, number = {1}, year = {2008}, month = {MAY}, pages = {128-134}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A mild and efficient method has been developed for the preparation of acylals from aldehydes catalyzed by antimony trichloride under solvent-free conditions in very good to excellent yields. The easy availability, low cost, and ease of handling of the catalyst make this procedure especially attractive for large-scale synthesis.
}, keywords = {acetic anhydride, Acylals, aldehydes, antimony trichloride, solvent-free conditions}, issn = {0039-7911}, doi = {10.1080/00397910701651284}, author = {Bhattacharya, Asish K. and Mujahid, Mohammad and Natu, Arvind A.} } @article { ISI:000255728500004, title = {Efficient route towards the covalent functionalization of single walled carbon nanotubes}, journal = {Applied Surface Science}, volume = {254}, number = {16}, year = {2008}, month = {JUN}, pages = {4936-4943}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple and efficient method of chemical functionalization of both single and multiwalled carbon nanotubes has been discussed to give enhanced water solubility by rapidly and efficiently generating an appreciable amount of hydrophilic functional groups using microwave radiation. Surface functionalization containing more than 30 wt\% of oxygen has been achieved, resulting into solubility of 2-5 mg/mL. Further covalent functionalization of such soluble SWNTs provides a remarkable degree of aniline functionalization through amidation, where the formation of polyaniline has been avoided. Functionalization of SWNTs is confirmed by techniques like electron microscopy, Fourier transform infrared spectroscopy, thermogravimetry, Raman spectroscopy, cyclic voltammetry and impedance spectroscopy. Electrochemical analysis suggests an enhanced double layer capacitance (similar to 110 F/g) of nanotubes after microwave treatment. Aniline functionalization of SWNTs shows possible variations on the nanotube topography with concomitant formation of a dynamic polymer layer on the nanotube surface. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Carbon nanotubes, Functionalization, Microwave, solubility}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2008.01.148}, author = {Kakade, Bhalchandra A. and Pillai, Vijayamohanan K.} } @article { ISI:000254443900045, title = {Efficient synthesis of 1,8-dioxo-octahydro-xanthene derivatives promoted by a room temperature ionic liquid at ambient conditions under ultrasound irradiation}, journal = {Ultrasonics Sonochemistry}, volume = {15}, number = {4}, year = {2008}, month = {APR}, pages = {548-553}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The condensation reaction involving an aldehyde and diketone was efficiently promoted by the Ionic liquid, [Hbim]BF(4) (IL) as a reaction medium with methanol as co-solvent at ambient temperature under ultrasonic irradiation to afford the corresponding 1,8-dioxo-octahydroxantliene (xanthene) derivatives in excellent yields. The advantages of this method include among others the use of a recyclable, non-volatile ionic liquid, which promotes this protocol under ambient temperature without the requirement of ally added catalyst. The reaction times and yields are compared with p-TSA catalyzed synthesis of xanthenes under thermal conditions, which is also reported for the first time under our reaction conditions. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {aldehydes, ambient conditions, Bronsted acidity, dimedone, Ionic liquid, Ultrasound, Xanthenes}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2007.06.001}, author = {Venkatesan, K. and Pujari, Suresh S. and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000260290500013, title = {Efficient synthesis of antifungal pyrimidines via palladium catalyzed Suzuki/Sonogashira cross-coupling reaction from Biginelli 3,4-dihydropyrimidin-2(1H)-ones}, journal = {Tetrahedron}, volume = {64}, number = {44}, year = {2008}, month = {OCT}, pages = {10214-10223}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient regioselective approach to the synthesis of tetrasubstituted pyrimidines was developed by sequential functionalization of easily available Biginelli 3,4-dihydropyrimidine-2(1H)-ones via dehydrogenation, chlorination followed by palladium catalyzed C-C Suzuki/Sonogashira coupling reaction. All the synthesized compounds were evaluated in vitro for their antifungal activities against Candida albicans, Cryptococcus neoformans, Benjaminiella poitrasii, Yarrowia lipolytica, and Fusarium oxysporum, and antibacterial activities against Gram-negative Escherichia coli and Gram-positive Staphylococcus aureus. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Antifungal activities, Biginelli compounds, chlorination, Oxidation, Pyrimidines, Suzuki coupling}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.08.033}, author = {Gholap, Atul R. and Toti, Kiran S. and Shirazi, Fazal and Deshpande, Mukund V. and Srinivasan, Kumar V.} } @article { ISI:000260209800002, title = {Efficient synthesis of quinoxalines in the ionic liquid 1-n-butylimidazolium tetrafluoroborate ([Hbim]BF4) at ambient temperature}, journal = {Synthetic Communications}, volume = {38}, number = {21}, year = {2008}, month = {FEB}, pages = {3601-3612}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Quinoxaline derivatives have been synthesized in excellent yields using an ionic liquid (IL) (viz., 1-n-butylimidazolium tetrafluoroborate) as a reaction medium as well as promoter from various 1,2-diketones and aryl-1,2-diamines. The process is general for the synthesis of quinoxaline derivatives from aromatic as well as aliphatic-1,2-diketones. The advantages of the present method are ambient reaction temperature, simplicity of operation, high yields of products, the recyclability of the IL, and ecofriendly nature of the reaction medium.
}, keywords = {1, 2-diamines, 2-Diketones, Aryl-1, ionicliquid(IL), quinoxalines}, issn = {0039-7911}, doi = {10.1080/00397910802054271}, author = {Potewar, Taterao M. and Ingale, Sachin A. and Srinivasan, Kumar V.} } @article { ISI:000253919900008, title = {Efficient total synthesis of decarestrictine D}, journal = {European Journal of Organic Chemistry}, number = {7}, year = {2008}, month = {MAR}, pages = {1195-1202}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
An efficient total synthesis of decarestrictine D has been achieved using cross-metathesis or ring-closing metathesis and Yamaguchi macrolactonization as key steps. The stereogenic centres were generated by means of hydrolytic kinetic resolution (HKR) and Sharpless asymmetric dihydroxylation (AD).
}, keywords = {Cross metathesis, Hydrolytic kinetic resolution, Macrolides, Ring-closing metathesis, sharpless asymmetric dihydroxylation}, issn = {1434-193X}, doi = {10.1002/ejoc.200700868}, author = {Guptali, Priti and Kumar, Pradeep} } @article { ISI:000259140200017, title = {Electric field induced, superhydrophobic to superhydrophilic switching in multiwalled carbon nanotube papers}, journal = {Nano Letters}, volume = {8}, number = {9}, year = {2008}, month = {SEP}, pages = {2693-2696}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Superhydrophobic multiwalled carbon nanotube bucky paper, fabricated after ozonolysis, shows fascinating electrowetting behavior, which could be remarkably tuned by changing key solution variables like the ionic strength, the nature of the electrolyte, and the pH of the water droplet. More significantly, the droplet behavior can be reversibly switched between superhydrophobic, Cassie-Baxter state to hydrophilic, Wenzel state by the application of an electric field, especially below a threshold value.
}, issn = {1530-6984}, doi = {10.1021/nl801012r}, author = {Kakade, Bhalchandra A. and Mehta, Rutvik and Durge, Apurva and Kulkarni, Sneha and Pillai, Vijayamohanan} } @article { ISI:000256765900007, title = {Electric field response of molecular reactivity descriptors: a case study}, journal = {Theoretical Chemistry Accounts}, volume = {120}, number = {4-6}, year = {2008}, month = {JUL}, pages = {375-383}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
In the present article, we study the influence of external electric field on the density-based global and local reactivity descriptors using examples of some planar nonlinear polyatomic molecules with C-2V point group symmetry. The study mainly involves the application of weak electric field in a direction along the principal axis and along its perpendicular direction. We also discuss the strength of the electric field studied in this work in terms of the strength of the molecular interaction. The work is expected to throw light on the effect of interactions within the above range on reactivity descriptors. Results are presented for a few prototype molecules.
}, keywords = {electric field, molecular interaction, planar nonlinear polyatomic molecules, Reactivity descriptors}, issn = {1432-881X}, doi = {10.1007/s00214-008-0437-4}, author = {Kar, Rahul and Pal, Sourav} } @article { ISI:000257271600056, title = {Electrochemical sensing of sulphur dioxide: a comparison using dodecanethiol and citrate capped gold nanoclusters}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {6}, year = {2008}, month = {JUN}, pages = {3184-3190}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
A comparison of cyclic voltammograms of dodecanethiol (DDT) capped Au nanoclusters (5.0 +/- 0.5 nm) and trisodium citrate (Cit) capped Au nanoclusters (similar to 10-15 nm) modified glassy carbon electrode shows a dramatic variation in the current when exposed to a small amount of sulphur dioxide. This is explained using the electrocatalytic properties of Au nanoclusters towards the oxidation of SO2, thus facilitating the fabrication of electrochemical sensors for the detection of SO2. The intrinsic redox changes observed for gold nanocluster-modified glassy carbon electrodes disappear on passing SO2, despite a dramatic current increase, which indeed scales up with the amount of dissolved SO2. Interestingly, a complete rejuvenation of the redox behavior of gold is also observed on subsequent removal of SO2 from the solution by passing pure nitrogen for 15 minutes. Further, these nanoclusters when characterized with X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) after SO2 passage reveal a variety of SO2 adsorption modes on gold surface. XP spectra also show a shift of 1.03 eV towards higher binding energy indicating a strong adsorption of SO2 gas, while FTIR gives conclusive evidence for the interaction of SO2 with gold nanoparticles.
}, keywords = {cyclic voltammetry, Fourier transform infrared spectroscopy, monolayer protected gold nanoclusters (Au-MPCs), SO2 sensor, X-ray photoelectron spectra}, issn = {1533-4880}, doi = {10.1166/jnn.2008.094}, author = {Sathe, Bhaskar R. and Risbud, Mandar S. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article { ISI:000253646100010, title = {Enantioselective hydrogenation of olefins by chiral iridium phosphorothioite complex covalently anchored on mesoporous silica}, journal = {Journal of Catalysis}, volume = {254}, number = {1}, year = {2008}, month = {FEB}, pages = {91-100}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Chiral monodentate phosphorous-based ligands have proven effective for the enantioselective hydrogenation of olefins. Binol-derived monodentate phosphorothioite (PS) ligand was synthesized from binol and thiopropyltriethoxysilane, and its iridium complex was covalently anchored to mesoporous silica supports like SBA-15, MCM-41, and MCM-48. These catalysts were characterized by different physicochemical techniques and assessed for their catalytic performances in the heterogeneous asymmetric hydrogenation of itaconic acid and its derivatives. It was found that the catalytic activities and enantioselectivities of the heterogenized iridium complex (IrPSSBA-15) in the hydrogenation reactions were comparable to its homogeneous analogue. Binol-derived monodentate phosphorothioite ligand in heterogeneously anchored form (iridium complex) is a more effective catalyst than the reported monodentate phosphorous ligand systems in the hydrogenation reactions, possibly due to the changes in electronic properties around the iridium metal center. The effects of substrate-to-catalyst molar ratio, solvents, and temperature on substrate conversions and enantioselectivities, of the products were investigated in hydrogenation reactions. (c) 2007 Elsevier Inc. All rights reserved.
}, keywords = {binol, Enantioselective hydrogenation, Immobilization, iridium complex, itaconic acid, Mesoporous silica SBA-15, monodentate ligand, phosphorothioite ligand}, issn = {0021-9517}, doi = {10.1016/j.jcat.2007.12.002}, author = {Sahoo, Suman and Kumar, Pradeep and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000253594300007, title = {Energy-efficient syngas production through, catalytic oxy-methane reforming reactions}, journal = {Angewandte Chemie-International Edition}, volume = {47}, number = {10}, year = {2008}, month = {JAN}, pages = {1828-1847}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, keywords = {fuels, heterogeneous catalysis, methane activation, Partial oxidation, Syngas}, issn = {1433-7851}, doi = {10.1002/anie.200701237}, author = {Choudhary, Tushar V. and Choudhary, Vasant R.} } @article { ISI:000261896400061, title = {Enhanced conversion efficiency in dye-sensitized solar cells based on ZnO bifunctional nanoflowers loaded with gold nanoparticles}, journal = {Applied Physics Letters}, volume = {93}, number = {24}, year = {2008}, month = {DEC}, pages = {Article No. 243108}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
The ZnO nanoflowers loaded with gold (Au) nanoparticles (NPs) are synthesized by a hydrothermal route using mixed precursors and controlled conditions. The dye-sensitized solar cells based on the ZnO nanoflowers with Au NPs show power conversion efficiency of 2.5\%, which is considerably higher than that of ZnO nanoflowers without Au NPs. Detailed characterizations are performed, presented, and discussed.
}, keywords = {crystal growth from solution, Gold, II-VI semiconductors, Nanocomposites, Nanoparticles, solar cells, wide band gap semiconductors, zinc compounds}, issn = {0003-6951}, doi = {10.1063/1.3049131}, author = {Dhas, Vivek V. and Muduli, Subas and Lee, Wonjoo and Han, Sung-Hwan and Ogale, Satishchandra B.} } @article { ISI:000257231200057, title = {Enhanced field emission from hexagonal rhodium nanostructures}, journal = {Applied Physics Letters}, volume = {92}, number = {25}, year = {2008}, month = {JUN}, pages = {253106}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Shape selective synthesis of nanostructured Rh hexagons has been demonstrated with the help of a modified chemical vapor deposition using rhodium acetate. An ultralow threshold field of 0.72 V/mu m is observed to generate a field emission current density of 4 x 10(-3) mu A/cm(2). The high enhancement factor (9325) indicates that the origin of electron emission is from nanostructured features. The smaller size of emitting area, excellent current density, and stability over a period of more than 3 h are promising characteristics for the development of electron sources. (C) 2008 American Institute of Physics.
}, issn = {0003-6951}, doi = {10.1063/1.2943657}, author = {Sathe, Bhaskar R. and Kakade, Bhalchandra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Late, Dattatray J. and More, Mahendra A. and Joag, Dilip S.} } @article { ISI:000254416300010, title = {Enhanced shape anisotropy and magneto-optical birefringence by high energy ball milling in NixFe1-xFe2O4 ferrofluids}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {320}, number = {6}, year = {2008}, month = {MAR}, pages = {815-820}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Ferrofluids belonging to the series NixFe1-xFe2O4 were synthesised by two different procedures-one by standard co-precipitation techniques, the other by co-precipitation for synthesis of particles and dispersion aided by high-energy ball milling with a view to understand the effect of strain and size anisotropy on the magneto-optical properties of ferrofluids. The birefringence measurements were carried out using a standard ellipsometer. The birefringence signal obtained for chemically synthesised samples was satisfactorily fitted to the standard second Langevin function. The ball-milled ferrofluids showed a deviation and their birefringence was enhanced by an order. This large enhancement in the birefringence value cannot be attributed to the increase in grain size of the samples, considering that the grain sizes of sample synthesised by both modes are comparable; instead, it can be attributed to the lattice strain-induced shape anisotropy(oblation) arising from the high-energy ball-milling process. Thus magnetic-optical (MO) signals can be tuned by ball-milling process, which can find potential applications. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {birefringence, Co-precipitation, ferrofluid, HEBM}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2007.08.032}, author = {Nair, Swapna S. and Xavier, Francis and Joy, Pattayil Alias and Kulkarni, S. D. and Anantharaman, Maliemadom R.} } @article { ISI:000260051800014, title = {Enhancement of glycerol conversion to acetol in high-temperature liquid water by high-pressure carbon dioxide}, journal = {Chemistry Letters}, volume = {37}, number = {9}, year = {2008}, month = {SEP}, pages = {926-927}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
Dehydration of glycerol to acetol proceeded in high-temperature liquid water at 573 K in a batch reactor. The acetol formation rate increased with an addition of high-pressure carbon dioxide.
}, issn = {0366-7022}, doi = {10.1246/cl.2008.926}, author = {Yamaguchi, Aritomo and Hiyoshi, Norihito and Sato, Osamu and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article { ISI:000261410200003, title = {Environment friendly crosslinked chitosan as a matrix for selective adsorption and purification of lipase of aspergillus niger}, journal = {International Journal of Biological Macromolecules}, volume = {43}, number = {5}, year = {2008}, month = {DEC}, pages = {422-425}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Chitosan and its derivatives have been used as affinity matrices for purification of lipase from Aspergillus niger NCIM 1207. Trimellitic anhydride (TMA)-crosslinked deacetylated chitin adsorbed lipase selectively, yielding approximately 5-fold purification of the crude lipase with 70\% yield. Further 9-fold purification occurred on eluting through Sephacryl-100. These results suggest that chitosan derivatives can be used as inexpensive biopolymer matrices for the purification of lipases for industrial applications. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Adsorption, Chitosan, Lipase, Matrix, Purification}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2008.08.005}, author = {Trimukhe, K. D. and Mahadik, N. D. and Gokhale, D. V. and Varma, Anjanikumar} } @article { ISI:000255107700017, title = {EPR and DRS evidence for NO2 sensing in Al-doped ZnO}, journal = {Sensors and Actuators B-Chemical}, volume = {130}, number = {2}, year = {2008}, month = {MAR}, pages = {668-673}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Zinc oxide (ZnO) is a well-known semiconducting multifunctional material wherein properties right from the morphology to gas sensitivity can be tailor-made by doping or surface modification. Aluminum (Al)-incorporated porous zinc oxide (AI:ZnO) exhibits good response towards NO2 at low-operating temperature. The NO2 gas concentration as low as 20 ppm exhibits S = 17\% for 5 wt. \% Al-incorporated ZnO. The NO2 response increases with operating temperature and concentration and reaches to its maximum at 300 degrees C without any interference from other gases such as SO3, HCl, LPG and alcohol. Physico-chemical characterization likes differential thermogravimetric analysis (TG-DTA) electron paramagnetic resonance (EPR) and diffused reflectance spectroscopy (DRS) have been used to understand the sensing behavior for pure and A]-incorporated ZnO. The TG-DTA depicts formation of ZnO phase at 287 degrees C. The EPR study reveals distinct variation for O- (g=2.003) and Zn interstitial (g = 1.98) defect sites in pure and Al:ZnO. The DRS studies elucidate signature of adsorbed NO, species in aluminium-incorporated zinc oxide indicating its tendency to adsorb these species even at low temperatures. This paper is an attempt to correlate the gas sensing behavior with the physico-chemical studies such as EPR and DRS. (c) 2007 Published by Elsevier B.V.
}, keywords = {aluminum doping, DRS, EPR, NO2 sensor, ZnO}, issn = {0925-4005}, doi = {10.1016/j.snb.2007.10.055}, author = {Navale, Shalaka C. and Ravi, V. and Srinivas, D. and Mulla, Imtiaz S. and Gosavi, S. W. and Kulkarni, S. K.} } @article {42610, title = {Erosion of a granular bed driven by laminar fluid flow}, journal = {Journal of Fluid Mechanics}, volume = {605}, year = {2008}, month = {JUN}, pages = {47-58}, type = {Article}, abstract = {
Motivated by examples of erosive incision of channels in sand, we investigate the motion of individual grains in a granular bed driven by a laminar fluid to give us new insights into the relationship between hydrodynamic stress and surface granular flow. A closed cell of rectangular cross-section is partially filled with glass beads and a constant fluid flux Q flows through the cell. The refractive indices of the fluid and the glass beads are matched and the cell is illuminated with a laser sheet, allowing us to image individual beads. The bed erodes to a rest height hr which depends on Q. The Shields threshold criterion assumes that the non-dimensional ratio θ of the viscous stress on the bed to the hydrostatic pressure difference across a grain is sufficient to predict the granular flux. Furthermore, the Shields criterion states that the granular flux is non-zero only for θ \> θc. We find that the Shields criterion describes the observed relationship hr ∝ Q1/2 when the bed height is offset by approximately half a grain diameter. Introducing this offset in the estimation of θ yields a collapse of the measured Einstein number q* to a power-law function of θ - θc with exponent 1.75 {\textpm} 0.25. The dynamics of the bed height relaxation are described well by the power-law relationship between the granular flux and the bed stress.
}, doi = {10.1017/S0022112008001389}, author = {Lobkovsky Alexander E. and Orpe, Ashish V. and Molloy, Ryan and Kudrolli, Arshad and Rothman, D. H.} } @article { ISI:000265542500019, title = {Ethyl cyanoacetate - a versatile reagent}, journal = {Research Journal of Chemistry and Environment}, volume = {12}, number = {4}, year = {2008}, month = {DEC}, pages = {102-103}, publisher = {DR JYOTI GARG}, type = {Article}, address = {SECTOR A/80 SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE MP, 452 010, INDIA}, abstract = {
Ethyl cyanoacetate is widely used as an active methylene reagent in variety of condensation reactions. It also plays a very important role in organic synthesis as well as in medicinal chemistry due to ease formation of C-C bond formations reactions.
}, issn = {0972-0626}, author = {Mrunali, Kale S.} } @article { ISI:000257280500014, title = {Expeditious one-step entry to the tetracyclic core of integrastatins}, journal = {Chemical Communications}, number = {27}, year = {2008}, month = {MAY}, pages = {3151-3153}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein we describe a one-step assembly of structurally complex small molecules representing the central skeleton of integrastatins by employing a simple pinacol transform.
}, issn = {1359-7345}, doi = {10.1039/b801755g}, author = {Ramana, C. V. and Reddy, Challa Nageswara and Gonnade, Rajesh G.} } @article { ISI:000253622800027, title = {Experimental analysis of the lift force on bubbles in a swarm}, journal = {Chemical Engineering Science}, volume = {63}, number = {6}, year = {2008}, month = {OCT}, pages = {1710-1723}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The lift force acting on bubbles in a swarm has been estimated by analyzing the instantaneous velocity-time data obtained using LDA in a cylindrical bubble column. Phase distinction was achieved through the multiresolution analysis of the velocity-time data. Several important issues related to the transverse motion of bubbles subjected to a shear field have been discussed quantitatively. The actually measured bubble sizes, the respective slip velocity values in transverse and axial directions and the local shear rates (gamma) enabled the verification of known formulations for the lift coefficient (C-L) for bubbles. At many locations in the column the radial flux of the gas phase by turbulent dispersion and the radial slip were estimated. The radially inward movement of bubbles from low to high axial velocity (from column wall to center, i.e., C-L \< 0) was observed at most of the measurement locations. The local lift coefficient was estimated using the transverse drag force and the values support the results from the material balance approach. The estimated C-L values showed a wide variation over the column cross-section. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Bubble, Bubble column, bubble size, hydrodynamics, LDA, lift force}, doi = {10.1016/j.ces.2007.10.029}, author = {Kulkarni, Amol A.} } @article { ISI:000253283700051, title = {Extracellular bacterial synthesis of protein-functionalized ferromagnetic Co3O4 nanocrystals and imaging of self-organization of bacterial cells under stress after exposure to metal ions}, journal = {Chemistry of Materials}, volume = {20}, number = {4}, year = {2008}, month = {FEB}, pages = {1484-1491}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Co3O4, which crystallizes in the spinet phase at temperatures much higher than ambient temperatures, orders antiferromagnetically below its Neel temperature (similar to 40 K). However, in nanosize, it shows ferromagnetic ordering due to surface canting, disorder, imperfect oxygen atom coordination, etc. Here, for the first time, we report the synthesis of single-crystalline, ferromagnetic Co3O4 nanoparticles functionalized with proteins (size 5-7 nm) using cobalt acetate as precursor at room temperature in aqueous medium by a metal-tolerant marine bacterium isolated from the coast of the Arabian Sea. Energetically unfavorable change in the oxidation state of Co atoms from (+2 to +3) during synthesis by the bacterial strain was evidenced by X-ray photoelectron spectroscopy. The effect on the morphology of bacterial cells after exposure to the cobalt acetate was imaged by scanning electron microscopy showing cooperative, self-organized. structured colony formation, possibly due to the interbacterial communication under external stress.
}, issn = {0897-4756}, doi = {10.1021/cm702727x}, author = {Kumar, Umesh and Shete, Ashvini and Harle, Arti S. and Kasyutich, Oksana and Schwarzacher, W. and Pundle, Archana and Poddar, Pankaj} } @article { ISI:000256975600012, title = {Extracellular synthesis of crystalline silver nanoparticles and molecular evidence of silver resistance from morganella sp.: towards understanding biochemical synthesis mechanism}, journal = {ChemBioChem}, volume = {9}, number = {9}, year = {2008}, month = {JUN}, pages = {1415-1422}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
There has been significant progress in the biological synthesis of nanomaterials. However, the molecular mechanism of synthesis of such bio-nanomaterials remains largely unknown. Here, we report the extracellular synthesis of crystalline silver nanoparticles (AgNPs) by using Morganella sp., and show molecular evidence I of silver resistance by elucidating the synthesis mechanism. The AgNPs were 20 +/- 5 nm in diameter and were highly stable at 1 room temperature. The kinetics of AgNPs formation was investigated. Detectable particles were formed after on hour of reaction, and their production remained exponential up to 18 h, and saturated at 24 h. Morganella sp. was found to be highly resistant to silver cations and was able to grow in the presence of more than 0.5 mm AgNO3. Three gene homologues viz. silE, silP and silS were identified in silver-resistant Morganella sp. The homologue of silE from Morganella sp. showed 99\% nucleotide sequence similarity with the previously reported gene, silE, which encodes a periplasmic silver-binding protein. The homologues of silP and silS were also highly similar to previously reported sequences. Similar activity was totally absent in closely related Escherichia coli; this suggests that a unique mechanism of extracellular AgNPs synthesis is associated with silver-resistant Morganella sp. The molecular mechanism of silver resistance and its gene products might have a key role to play in the overall synthesis process of AgNPs by Morganella sp. An understanding of such biochemical mechanisms at the molecular level might help in developing an ecologically friendly and cost-effective protocol for microbial AgNPs synthesis.
}, keywords = {Biosynthesis, Morganella sp., Nanoparticles, sil gene homologues, Silver}, issn = {1439-4227}, doi = {10.1002/cbic.200700592}, author = {Parikh, Rasesh Y. and Singh, Sanjay and Bhagavatula L. V. Prasad and Patole, Milind S. and Sastry, Murali and Shouche, Yogesh S.} } @article { ISI:000253620600025, title = {Facile air-oxidation of N-homopiperonyl-5,6-dimethoxyhomophthalimide: simple and efficient access to nuevamine}, journal = {Tetrahedron}, volume = {64}, number = {8}, year = {2008}, month = {FEB}, pages = {1786-1791}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A facile six-step synthesis of naturally occurring (+/-)-nuevamine with 55\% overall yield has been described, starting from methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate via the quantitative benzylic air-oxidation of the corresponding N-homopiperonyl-5,6-dimethoxy-homophthalimide to N-homopiperonyl-5,6-dimethoxyisoquinoline-1,3,4-trione as the key reaction, followed by base catalyzed regioselective alcoholysis of the trione with ring contraction, acid catalyzed dehydrative ring closure of the formed lactamol and decarboxylation pathway. (C) 2007 Elsevier Ltd. All rights reserved.
}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.11.104}, author = {Wakchaure, Prasad B. and Easwar, Srinivasan and Puranik, Vedavati G. and N. P. Argade} } @article { ISI:000253042200004, title = {Facile and highly selective deprotection of tert-butyldimethyl silyl ethers using sulfated SnO2 as a solid catalyst}, journal = {Synthetic Communications}, volume = {38}, number = {3}, year = {2008}, month = {JAN}, pages = {346-353}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Highly selective deprotection of tert-butyldimethylsilyl ethers at room temperature has been described using sulfated SnO2 as an efficient solid catalyst.
}, keywords = {deprotection, sulfated SnO2, TBDMS ethers}, issn = {0039-7911}, doi = {10.1080/00397910701767056}, author = {Bhure, Mahesh H. and Kumar, Indresh and Natu, Arun D. and Rode, Chandrashekhar V.} } @article { ISI:000258374700003, title = {Facile biogenetic synthesis of pulcheotine A}, journal = {Synthesis-Stuttgart}, number = {15}, year = {2008}, month = {AUG}, pages = {2321-2322}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Starting from homopiperonylamine and 4-methoxyphenylacetic acid, a facile biogenetic route to naturally occurring pulcheotine A has been demonstrated via Pictet-Spengler cyclization and two different air oxidation processes.
}, keywords = {4-methoxyphenylacetic acid, homopiperonylamine, Pictet-Spengler cyclization, pulcheotine A, regioselective air oxidations}, issn = {0039-7881}, doi = {10.1055/s-2008-1067162}, author = {Wakchaure, Prasad B. and N. P. Argade} } @article { ISI:000254017900032, title = {Facile single-step technique for simultaneous in situ fabrication of Ag/Ag2S-polymer nanocomposites via PPS cyclization route}, journal = {Chemistry Letters}, volume = {37}, number = {2}, year = {2008}, month = {FEB}, pages = {194-195}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
We herein propose a facile single-step approach involving solid-state reaction between silver salt and engineering thermoplastic polyphenylene sulfide for simultaneous in situ generation of nanoscale metallic silver as well as semiconducting silver sulfide.
}, issn = {0366-7022}, doi = {10.1246/cl.2008.194}, author = {Waghmare, Sujata and Shinde, Manish and Gholap, Ramkrishna S. and Rao, N. Koteswara and Seth, Tanay and Amalnerkar, Dinesh P.} } @article { ISI:000259420300006, title = {Facile synthesis and gas sensing properties of nanotriangular tin oxide}, journal = {Materials Letters}, volume = {62}, number = {28}, year = {2008}, month = {NOV}, pages = {4328-4331}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In the present study we report a simple and convenient chemical route using pentaerythritol as a structure-directing agent for the synthesis of crystalline nanotriangular SnO2. We propose the scheme for the formation of nanotriangular structures wherein the preliminary spherical nanocrystallites are formed due to the low surface energy associated with them. These spherical nanocrystallites grow into the various linear intermediate shapes like Y, bi and tripods, which finally lead to the triangles, pyramids and bipyramids. Such variation in the structure occurs due to the structure directing pentaerythritol. These polycrystalline SnO2 nanomaterials with structural peculiarities were tested for the gas sensing characteristics. Their response towards ethanol vapor, H-2 and LPG were investigated. It was found to exhibit high response towards ethanol vapors at the operating temperature of 250 degrees C. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Nanomaterials, Oxides, Semiconductors, sensors}, issn = {0167-577X}, doi = {10.1016/j.matlet.2008.07.021}, author = {Deshmukh, Rupali G. and Badadhe, Satish S. and Vaishampayan, Mukta V. and Mulla, Imtiaz S.} } @article { ISI:000253366100013, title = {Factors influencing the in situ generation of hydrogen peroxide from the reduction of oxygen by hydroxylamine from hydroxylammonium sulfate over Pd/alumina}, journal = {Applied Catalysis A-General}, volume = {335}, number = {1}, year = {2008}, month = {FEB}, pages = {95-102}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Influence of the concentration of bromide (KBr) promoter, reaction period, temperature, catalyst loading and initial concentration of hydroxylammonium sulfate on the formation of H2O2 due to the reaction between hydroxylamine from the hydroxylammonium salt and molecular oxygen over Pd (1 wt\%)/Al2O3 catalyst in a neutral aqueous medium at close to the ambient conditions has been investigated. Effect of pH and temperature on the destruction of H2O2, Occurring in the consecutive reactions, over the catalyst in the presence or absence of bromide promoter and hydroxylamine has also been studied. In the absence of O-2, the conversion of hydroxylamine by its decomposition over the catalyst increases sharply with increasing the pH, particularly above the pH of 7.0; at or below the pH of 7.0, it is quite small. The H2O2 destruction increases markedly with increasing the pH of medium and reaction temperature but it is found to decrease in the presence of hydroxylamine. For the highest net H2O2 formation, not only the optimum pH (7.0) of reaction medium but also the optimum other reaction conditions (viz. bromide promoter concentration, reaction period, temperature or catalyst loading) are necessary. The reaction path and mechanism for the generation of H2O2 have also been suggested. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {H2O2 destruction, Hydrogen peroxide, hydroxylamine, Hydroxylammonium sulfate, Pd/Al2O3 catalyst, reduction of O-2}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.11.015}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000263598900010, title = {Fast decay of the velocity autocorrelation function in dense shear flow of inelastic hard spheres}, journal = {EPL}, volume = {84}, number = {6}, year = {2008}, month = {DEC}, pages = {64003}, publisher = {EDP SCIENCES S A}, type = {Article}, address = {17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE}, abstract = {
We find in complementary experiments and event-driven simulations of sheared inelastic hard spheres that the velocity autocorrelation function psi(t) decays much faster than t(-3/2) obtained for a fluid of elastic spheres at equilibrium. Particle displacements are measured in experiments inside a gravity-driven flow sheared by a rough wall. The average packing fraction obtained in the experiments is 0.59, and the packing fraction in the simulations is varied between 0.5 and 0.59. The motion is observed to be diffusive over long times except in experiments where there is layering of particles parallel to boundaries, and diffusion is inhibited between layers. Regardless, a rapid decay of psi(t) is observed, indicating that this is a feature of the sheared dissipative fluid, and is independent of the details of the relative particle arrangements. An important implication of our study is that the non-analytic contribution to the shear stress may not be present in a sheared inelastic fluid, leading to a wider range of applicability of kinetic theory approaches to dense granular matter. Copyright (C) EPLA, 2008
}, issn = {0295-5075}, doi = {10.1209/0295-5075/84/64003}, author = {Orpe, Ashish V. and Kumaran, V. and Reddy, K. Anki and Kudrolli, Arshad} } @article { ISI:000251708300041, title = {Feasibility studies and dynamics of catalytic liquid phase esterification reactions in a micro plant}, journal = {Chemical Engineering Journal}, volume = {135}, number = {1}, year = {2008}, note = {9th International Conference on Microreaction Technology, Berlin, GERMANY, SEP 06-08, 2006}, month = {JAN}, pages = {S270-S275}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
We present a new micro reactor concept which is suitable for investigations of heterogeneously catalyzed liquid phase reactions. In the set-up two reactants are mixed in a commercially available interdigital micro mixer. The outlet of the micro mixer is connected to a modular micro reactor that consists of stacked plates. Each plate contains a milled meandering channel filled with catalyst beads. By using a variable number of plates the residence time can be manipulated and thus adjusted for a specific task. The synthesis of butyl acetate is considered as a model reaction since it has been investigated in detail in conventional reaction systems. In a first step, some experimental results of the heterogeneously catalyzed reaction are presented. In the second part, the set-up is operated as a chromatographic reactor. Dynamic behaviour is investigated applying the frontal analysis mode and the elution chromatography mode. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {chromatographic reactor, heterogeneous catalysis, integrated process, modular micro reactor}, issn = {1385-8947}, doi = {10.1016/j.cej.2007.07.024}, author = {Kulkarni, A. A. and Zeyer, K. -P. and Jacobs, T. and Kaspereit, M. and Kienle, Achim} } @article { ISI:000255692100010, title = {Fe-doped SnO(2) nanomaterial: a low temperature hydrogen sulfide gas sensor}, journal = {Materials Chemistry and Physics}, volume = {109}, number = {2-3}, year = {2008}, month = {JUN}, pages = {230-234}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The effect of Fe-doping on the surface chemistry and gas-sensing properties of nanocrystalline tin oxide is analyzed. The pristine and Fe-doped SnO(2) are synthesized by the modified Pechini citrate route that produces around 40 and 18 nm sized nanoparticles, respectively. 1 at.\% Fe-doped SnO(2) shows significantly high selectivity towards hydrogen sulfide gas with capability to detect even 10 ppm of hydrogen sulfide at room temperature, with change of about one order of magnitude in the resistance within 5-15 s. In comparison, pristine SnO(2) shows negligible response towards H(2)S at room temperature. The ideal response and recovery of Fe-doped SnO(2) at low concentration of gas suggests Fe-doped SnO(2) nanomaterial as a potential low cost, low temperature H(2)S gas sensor. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Fe-doping, H(2)S, nanomaterial, Sensor, tin oxide}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2007.11.024}, author = {Vaishampayan, Mukta V. and Deshmukh, Rupah G. and Walke, Pravin and Mulla, Imtiaz S.} } @article { ISI:000253152700039, title = {Ferrocene-linked thymine/uracil conjugates: base pairing directed self-assembly and supramolecular packing}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {4}, year = {2008}, month = {FEB}, pages = {1508-1515}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Ferrocene-linked bis(nucleobase) (la-c) and chimeric nucleobase (1d) conjugates have been synthesized from mono- and bis(hydroxybutyl)ferrocene 6 via Mitsunobu reaction as the key step. X-ray crystallographic studies of ferrocene bis(nucleobase) conjugates reveal two-dimensional supramolecular organizations of backbones through self-assembled Watson-Crick and reverse Watson-Crick type pairs. Ferrocene-bis(thymine) conjugate self-assembles by reverse Watson-Crick pairing, while the corresponding bis(uracil) conjugate self-assembles by alternating WC and reverse WC type pairing. Such continuous assemblies are not seen in monosubstituted ferrocene nucleobase conjugates which form only planar sheets. The results are interesting from the point of understanding and engineering supramolecular assemblies through rational design of base pairing patterns.
}, issn = {0022-3263}, doi = {10.1021/jo7023416}, author = {Patwa, Amit N. and Gupta, Susmita and Gonnade, Rajesh G. and Kumar, Vaijayanti A. and Bhadbhade, Mohan M. and Ganesh, Krishna N.} } @article { ISI:000262312300018, title = {First asymmetric total synthesis of penarolide sulfate A(1)}, journal = {European Journal of Organic Chemistry}, number = {36}, year = {2008}, month = {DEC}, pages = {6213-6224}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Penarolide sulfate A(1), with three contiguous stereogenic centers on a macrocyclic skeleton, affords promise as an alpha-glucosidase inhibitor. Herein, we describe the first asymmetric total synthesis of this natural product. A stereoselective strategy for rapid assembly of the complete framework of the 30-membered macrocyclic core is delineated herein. Sequential amidation and intramolecular Sonogashira cross-coupling reactions were pivotal to the success of our efforts. ((C) Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheim, Germany, 2008)
}, keywords = {Asymmetric synthesis, C-C coupling, Dihydroxylation, epoxidation, Macrocycles, Regioselectivity, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.200800680}, author = {Mohapatra, Debendra K. and Bhattasali, Debabrata and Gujar, Mukund K. and Khan, Mohammad Islam and Shashidhara, K. S.} } @article { ISI:000256005300018, title = {First principles calculations of thermal, equations of state and thermodynamical properties of MgH2 at finite temperatures}, journal = {Computational Materials Science}, volume = {42}, number = {3}, year = {2008}, month = {MAY}, pages = {510-516}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We present the first principles calculations of the thermodynamical properties of magnesium hydride (MgH2) over a temperature range of 0-1000 K. The phonon dispersions are determined within the density functional framework and are used to calculate the free energy of MgH2 within the quasiharmonic approximation (QHA) at each cell volume and temperature T. Using the free energies the thermal equation of state (EOS) is derived at several temperatures. From the thermal EOS structural parameters such as the equilibrium bell volume (V-0) and elastic properties, namely, bulk modulus (K-0) and its pressure derivative (K-0({\textquoteright})) are computed. The free energies are also used to calculate various thermodynamical properties within QHA. These include internal energy E, entropy S, specific heat capacity at constant pressure C-P, thermal pressure P-thermal(V,T) and volume thermal expansion Delta V/V (\%). The good agreement of calculated values of S and Cp with experimental data exhibits that QHA can be used as a tool for calculating the thermodynamical properties of MgH2 over a wide temperature range. P-thermal(V,T) increases strongly with T at all the volumes but it is a slowly varying function of volume for T = 298-500 K. According to Karki [B.B. Karki, Am. Miner. 85 (2000) 1447] such volume based variations can be neglected and so it is possible to estimate the thermal EOS only with the knowledge of the measured P-thermal(V,T) versus temperature at ambient pressure and isothermal compression data at ambient temperature. Temperature dependence of Delta V/V(\%) shows that V-0 increased with increase in temperature. However, the percentage decrease in K-0 superseded this percentage increase in V-0 even at temperatures moderately higher than 298 K. Therefore, we suggest application of temperature (T \> 298 K) as an approach to enhance the hydrogen storage capacity of MgH2 because of its better compressibility at these temperatures. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {equation of state, Hydrogen storage, lattice dynamics, magnesium hydride, Thermodynamic properties}, issn = {0927-0256}, doi = {10.1016/j.commatsci.2007.08.014}, author = {Kelkar, Tuhina and Kanhere, Dilip G. and Pal, Sourav} } @article { ISI:000255046700003, title = {Flow pattern in vortex diode: experiments and CFD simulations}, journal = {AICHE Journal}, volume = {54}, number = {5}, year = {2008}, month = {MAY}, pages = {1139-1152}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Vortex diodes are used as leaky nonreturn valves in applications, where it is desirable to avoid valves with moving parts. Despite their use in practice for several decades, no detailed analysis of the flow inside the vortex diodes is available. A strategy was derived for the CFD simulations of the vortical flow in diodes. A good agreement was seen between pressure drop (Delta P) across the inlet-outlet ports from CFD simulations, and the experimental data for five diode sizes. The simulations showed that in the reverse flow situation tangential velocity was dominant and resulted in conservation of angular momentum in the chamber until it reaches the axial exit port. This vortical motion induced a significant pressure drop (Delta P-r). The axial velocity gradient over the chamber cross-section helps in inducing relaminarization of the flow. In the forward flow mode, the fluid gets distributed radially over the chamber and exits through the tangential port, yielding low Delta P-f. The analysis showed that the performance of a diode is strongly affected by diode geometry, size, aspect ratio, nozzle configuration and Reynolds number. Among different configurations, the nozzles with entry port size equal to diode yielded higher diodicity. Simulations showed that using angle of divergence for diffuser sections of nozzles of the order of 7 degrees exhibited higher diodicity than smaller angles. It was also observed that at higher flow rates significantly higher diodicity was obtained using axial nozzles with larger radius of curvature for expander section. The modeling methodology and results presented will be useful for evolving better designs of vortex diodes.
}, keywords = {CFD, Diodicity, pressure drop, relaminarization, Vortex diode}, issn = {0001-1541}, doi = {10.1002/aic.11439}, author = {Kulkarni, Amol A. and Ranade, V. V. and Rajeev, R. and Koganti, S. B.} } @article { ISI:000256212400012, title = {Foldamers with unusual structural architecture from spirobi(indane) building blocks}, journal = {Chemical Communications}, number = {22}, year = {2008}, month = {JUN}, pages = {2541-2543}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This communication demonstrates the utility of inherently rigid building blocks such as 1,1{\textquoteright}-spirobi(indane) for generating conformationally ordered synthetic oligomers with structural architectures distinct from those classically observed.
}, issn = {1359-7345}, doi = {10.1039/b800825f}, author = {Kendhale, Amol M. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000260776600007, title = {Functionalization of single-walled carbon nanotubes with azides derived from amino acids using click chemistry}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {7}, year = {2008}, month = {JUL}, pages = {3351-3356}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Single-walled carbon nanotubes (SWCNTs) were chemically functionalized with amino acid-based moieties. The covalent functionalization of alkyne-derived SWCNTs with well defined azides derived from amino acids was accomplished through Cu(I)-catalyzed Huisgen [3+2] dipolar cycloaddition click chemistry. Transmission electron microscopy, Raman spectroscopy, and infrared spectroscopic measurements confirmed the functionalization of SWCNTs by organic molecules derived from amino acids, and the resulting material showed some good solubility in the organic solvents such as tetrahydrofuran, CH2Cl2, and CHCl3.
}, keywords = {Amino acids, Carbon nanotubes, Click chemistry, Functionalization}, issn = {1533-4880}, doi = {10.1166/jnn.2008.109}, author = {Kumar, Indresh and Rana, Sravendra and Rode, Chandrashakher V. and Cho, Jae Whan} } @article { ISI:000257719700006, title = {Functionalized SBA-15 and its catalytic applications in selective organic transformations}, journal = {Catalysis Surveys from Asia}, volume = {12}, number = {2}, year = {2008}, month = {JUN}, pages = {114-130}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Ordered, mesoporous SBA-15 functionalized with organic and inorganic moieties exhibits efficient catalytic activity in a variety of organic transformations. In this account, reviewing our own work, three-sets of surface-modified SBA-15 materials have been investigated. The first-set of materials consists of SBA-15 modified with organo-acidic (propyl thiol and propyl sulfonic acid) and basic (propyl amine and propyl adenine) moieties. The second-set of materials was prepared by grafting Mn complexes to the organo-functionalized SBA-15. The third-set composes of nanocrystalline metal oxides supported on SBA-15. All these catalysts have been characterized by structural and spectroscopic techniques. Catalytic activities of the first-set of solid materials have been investigated in acid/base-catalyzed reactions viz., ring-opening of epoxides with amines (producing beta-amino alcohols), esterification, three-component-Mannich reactions and cycloaddition of CO(2) to epoxides. The Mn complexes grafted on organofunctionalized SBA-15 are efficient catalysts for the chemo-, regio- and stereoselective aerial oxidation of monoterpenes at ambient conditions. TiO(x), VO(x), MoO(x) and WO(x) supported on SBA-15 catalyzed biomimetic oxyhalogenation of aromatic compounds. In all these reactions, the functionalized SBA-15 showed high selectivity.
}, keywords = {grafted Mn-Salen complexes, Ordered mesoporous silica, organofunctionalized SBA-15, oxidation catalysts, Oxyhalogenation of aromatics}, issn = {1571-1013}, doi = {10.1007/s10563-008-9044-6}, author = {Srinivas, Darbha and Saikia, Lakshi} } @article { ISI:000261950600017, title = {Furfural: hemicellulose/xylosederived biochemical}, journal = {Biofuels Bioproducts \& Biorefining-Biofpr}, volume = {2}, number = {5}, year = {2008}, month = {SEP}, pages = {438-454}, publisher = {JOHN WILEY \& SONS LTD}, type = {Review}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
Hemicellulose, the second, most common polysaccharide in nature constitutes approximately 20-35\% of lignocellulosic biomass. Effective utilization of biomass, hitherto underutilized, is gaining tremendous importance for the production of energy, fuels, and chemicals. Amongst the vast array of chemicals derived from lignocellulosics, furfural is the key chemical that finds wide applications in oil refining, plastics, pharmaceutical and agrochemical industries. There is no synthetic route for the production of furfural. A few conventional technologies currently in practice for its separation and subsequent isolation are appropriately reviewed. Major disadvantages associated with processes currently used for the production of furfural based on acid-catalyzed hydrolysis have been discussed. A need to develop a process which is devoid of all the shortcomings associated with conventional process is emphasized. Several important aspects of chemistry underlying the acid hydrolysis of xylose are discussed. The importance of myriad pre-treatment steps involved to surmount the physical and chemical barriers and to liberate xylose from the confines of acid-resistant layer of lignin has been emphasized. New developments in the production of furfural from cyclodehydration of xylose using solid acid catalysts in the recent past have been reviewed appropriately in present communication. Finally, the production of furfural and furfuryl alcohol, their domestic market and export in China deserve some coverage and therefore have appropriately been discussed as well. (c) 2008 Society of Chemical Industry and John Wiley \& Sons, Ltd
}, keywords = {acid hydrolysis, cyclodehydration, furfural, Hemicellulose, pre-treatment of lignocellulosics, Xylose}, issn = {1932-104X}, doi = {10.1002/bbb.95}, author = {Mamman, Ajit Singh and Lee, Jong-Min and Kim, Yeong-Cheol and Hwang, In Taek and Park, No-Joong and Hwang, Young Kyu and Chang, Jong-San and Hwang, Jin-Soo} } @article { ISI:000253961400025, title = {GaAlCl(x)-grafted Mont.K-10 clay: highly active and stable solid catalyst for the friedel-crafts type benzylation and acylation reactions}, journal = {Catalysis Communications}, volume = {9}, number = {6}, year = {2008}, month = {MAR}, pages = {1101-1105}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A liquid phase reaction of anhydrous GaCl(3) and AlCl(3) with the surface hydroxyl groups (with HCl evolution) of Mont. K-10 clay in dry CCL(4) under reflux resulted in a novel GaAlCl(x),-grafted Mont.K-10 catalyst [with Cl/(Ga + Al) = 1]. The catalyst showed high activity and stability in the Freidel-Crafts type benzylation and benzoylation (by benzyl chloride and benzoyl chloride, respectively) of benzene, naphthalene and substituted benzenes, even in the presence of moisture. It also showed good activity for the benzoylation of nitrobenzene (i.e. even in the presence of strong electron withdrawing group, like nitro group, attached to the benzene ring). The catalytically active surface species in the catalyst are -(O)(2)-Ga(or Al)Cl. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {benzoylation of aromatics, benzylation of aromatics, GaAlCl(x)-grafted Mont.K-10}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.10.014}, author = {Choudhary, Vasant R. and Jha, Rani} } @article { ISI:000258379300046, title = {Gas-sensing properties of zinc ferrite nanoparticles synthesized by the molten-salt route}, journal = {Journal of the American Ceramic Society}, volume = {91}, number = {8}, year = {2008}, month = {AUG}, pages = {2724-2726}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
Zinc ferrite (ZnFe2O4) nanoparticles have been synthesized at 700 degrees C using sodium chloride as a growth inhibitor. Single-phase formation of spinel zinc ferrite having crystallite size in the range of 15-20 nm was observed by XRD and confirmed by TEM. In the present work, the gas-sensing properties of these zinc ferrite nanoparticles toward ethanol, LPG, H-2, NOx. SOx, and H2S have been studied. It was found that they exhibit excellent selective sensitivity toward 200 ppm of H2S at the operating temperature of 250 degrees C, and thus this nanosized ferrite is expected to be useful in an industrial application as a potential H2S gas sensor.
}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2008.02475.x}, author = {Darshane, Sonali L. and Deshmukh, Rupali G. and Suryavanshi, Shankar S. and Mulla, Imtiaz S.} } @article { ISI:000254624600015, title = {Gelatin hydrogels: enhanced biocompatibility, drug release and cell viability}, journal = {Journal of Materials Science-Materials in Medicine}, volume = {19}, number = {6}, year = {2008}, month = {JUN}, pages = {2351-2358}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Biodegradability and enhanced biocompatibility with pH-sensitivity of hydrogels are becoming very important issues for biomaterials applications so as to minimize the host-body reactions such as, inflammatory, antigenic, and immunogenic problems. This study involves development of hydrogel matrices of gelatin conjugated/modified with highly hydrophilic, pH-sensitive and biocompatible polymer, poly (2-ethyl-2-oxazoline) and glyoxylic acid respectively. Various compositions of gelatin conjugated/modified with poly (2-ethyl-2-oxazoline) (gp) and glyoxylic acid (gg) were synthesized. The swelling kinetics, cell viability and drug release capability from the gels at pH 4.5 and 7.4 were investigated. The results of swelling kinetics showed that, both the degree of swelling (DS) and the maximum degree of swelling (MDS) increased as function of modification (increase in modification) and pH with an increase of time, which is due to increase in ionic groups. The drug-release (1\% chlorhexidine) studies at pH 7.4 and 4.5 confirmed a proportional drug release with an increase in degree of swelling. The results of in-vitro cytotoxicity tests using mouse embryonic 3T3 fibroblast cells indicated, an improved cell viability for gelatin gels conjugated/modified with poly (2-ethyl-2-oxazoline) (gp) and glyoxylic acid (gg) gels, when compared with 1\% glutaraldehyde cross-linked gelatin gels (gx). Hence, cross-linked gelatin gels can be replaced with gp/gg for potential use in biomedical applications as a matrix for drug delivery.
}, issn = {0957-4530}, doi = {10.1007/s10856-007-3334-9}, author = {Rathna, G. V. N.} } @article { ISI:000254883500012, title = {Gelation of covalently edge-modified laponites in aqueous media. 1. rheology and nuclear magnetic resonance}, journal = {Journal of Physical Chemistry B}, volume = {112}, number = {15}, year = {2008}, month = {APR}, pages = {4536-4544}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We describe the covalent modification of the edges of laponite with organic groups and the influence of this modification on gelation behavior. We compare three materials: an unmodified laponite, a laponite edge modified with a trimethyl moiety (MLap), and an octyldimethyl moiety (OLap). Gelation is investigated using rheology and NMR T-1 relaxation measurements and nuclear Overhauser enhancement spectroscopy (NOESY). MLap and OLap show qualitatively different gelation. Gelation of MLap is very similar to laponite: MLap gels over the same time scale as laponite and has about the same solid modulus, and the MLap gel is almost as transparent as laponite. In contrast, OLap gels rapidly relative to laponite and forms a weak, turbid gel. We believe that gelation in laponite and MLap results from the formation of a network of well-dispersed platelets (or a few platelets), while in OLap, gelation results from a network of stacks of several platelets. NMR relaxation measurements indicate that gelation does not affect the average relaxation of water protons. However, T, increases marginally for the protons in the organic moieties in MLap and decreases for protons in the organic moieties in OLap. Relaxation measurements, analyses of line width, and NOESY taken together suggest that, in OLap, gelation is a consequence of association of the organic moieties on the laponite edges, and that this association strengthens with time. Thus, the time-dependent changes in NMR suggest a structural origin for the time-dependent changes in the rheological behavior.
}, issn = {1520-6106}, doi = {10.1021/jp710489n}, author = {Patil, Suhas P. and Mathew, Renny and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Mahesh, T. S. and Kumaraswamy, Guruswamy} } @conference { ISI:000257623000188, title = {Gelation of regenerated fibroin solution}, booktitle = {15th International Congress on Rheology/80th Annual Meeting of the Society-of-Rheology}, series = {AIP CONFERENCE PROCEEDINGS}, volume = {1027}, year = {2008}, note = {15th International Congress on Rheology/80th Annual Meeting of the Society-of-Rheology, Monterey, CA, AUG 03-08, 2008}, month = {AUG}, pages = {573-575}, publisher = {Amer Inst Physics, 2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, organization = {Amer Inst Physics, 2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, address = {Monterey, CA.}, abstract = {
Silk fibroin is a high molecular weight multiblock ampiphillic protein known for its ability to form high strength fibers. It is also biocompatible; silk sutures have been traditionally used for many centuries. Recently, there has been much interest in making silk hydrogels for applications ranging from tissue engineering to controlled delivery. Fibroin gels can be formed from aqueous solutions by changing one or more state variables such as pH, temperature and ionic strength. In this work we present our investigations on the gelation of aqueous fibroin solutions derived from Bombyx Mori silk using light scattering, confocal microscopy and rheological techniques.
}, keywords = {dynamic light scattering, Rheology, silk fibroin gel}, isbn = {978-0-7354-0549-3}, issn = {0094-243X}, author = {Nagarkara, Shailesh and Lele, Ashish K. and Chassenieux, Christophe and Nicolai, Taco and Durand, Dominique}, editor = {Co, A. and Leal, L. G. and Colby, R. H. and Giacomin, A. J.} } @article { ISI:000254229100020, title = {General model for analyzing data on the rate of reactive dissolution of poly-disperse particulate solids}, journal = {Chemical Engineering Journal}, volume = {137}, number = {2}, year = {2008}, month = {APR}, pages = {347-360}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A model has been presented which successfully simulates the experimentally observed integral batch reactive dissolution rate data while accounting for the poly-dispersity of the solid particulate charge. This allowed avoiding arbitrary assumptions about the particulate inventory and size independence of the mass transfer coefficient. There is also no need for a priori identification of the controlling regime, which can change from kinetic to mass transfer during the process, apart from the possibility of the shift with the specified process and operating conditions. The model was applied with equal ease to a simple isothermal reaction, an exothermic reaction with runaway potential and to a phase-transfer catalysis reaction with a complex mechanism. The model was shown to predict the time required for a specified extent of conversion of the particulate reactant or the rate of consumption of a key liquid reactant under a variety of process and operating conditions, like temperature, liquid reactant and the catalyst concentration, particle size, poly-dispersity of the charge and agitation speed. Such information is useful in reactor design and scale-up. Where dissolution is accompanied with a runaway reaction, the model can predict quantities of interest in hazard assessment and should aid safe reactor design. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {kinetic model, particle size distribution, poly-disperse solid reactant, reactive dissolution, reactive thermal hazard, solid-liquid PTC reaction}, issn = {1385-8947}, doi = {10.1016/j.cej.2007.05.004}, author = {Bhattacharya, Arijit} } @article { ISI:000258908000075, title = {General strategy for the synthesis of natural and unnatural dialkylmaleic anhydrides}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {17}, year = {2008}, month = {SEP}, pages = {6936-6938}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Starting from alkylidenesuccinimides, a wide range of dialkylmaleic anhydrides have been synthesized via the generation of a carbanion on a succinimide unit and its condensation with various alkyl halides as the key reaction.
}, issn = {0022-3263}, doi = {10.1021/jo801284r}, author = {Haval, Kishan P. and N. P. Argade} } @article { ISI:000259381100010, title = {Gold mediated glycosylations: selective activation of propargyl 1,2-orthoesters in the presence of aglycones containing a propargyl moiety}, journal = {Chemical Communications}, number = {36}, year = {2008}, month = {JUL}, pages = {4282-4284}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Selective activation of propargyl 1,2-orthoesters in the presence of propargyl glycosides and propargyl ethers was studied; a catalytic amount of AuBr(3) activated the propargyloxy, group of the 1,2-orthoester thereby giving access to disaccharides with the propargyl group at the reducing end; furthermore, propargyl ethers were unaffected under the reaction conditions.
}, issn = {1359-7345}, doi = {10.1039/b806707d}, author = {Sureshkumar, Gopalsamy and Hotha, Srinivas} } @article { ISI:000259408300012, title = {Gold nanoparticle superlattices}, journal = {Chemical Society Reviews}, volume = {37}, number = {9}, year = {2008}, month = {SEP}, pages = {1871-1883}, publisher = {ROYAL SOC CHEMISTRY}, type = {Review}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Ordered metal nanoparticle assemblies-superlattices-have captivated and stirred the imagination of scientists and engineers alike and promise great prospect for future technologies. This potential though will greatly be determined by the understanding and control that can be exerted on the assembling processes. This tutorial review presents a brief account of the factors that govern the formation of superlattices and then presents several examples of gold nanoparticle superlattices that are distinguished by the size of participating particles, chain length/functional group of the capping agent, the substrates on which they form etc.
}, issn = {0306-0012}, doi = {10.1039/b712175j}, author = {Bhagavatula L. V. Prasad and Sorensen, C. M. and Klabunde, Kenneth J.} } @article { ISI:000207604400001, title = {Guest editorial: computational fluid dynamics}, journal = {Asia-Pacific Journal of Chemical Engineering}, volume = {3}, number = {2}, year = {2008}, month = {MAR}, pages = {95-96}, publisher = {JOHN WILEY \& SONS INC}, type = {Editorial Material}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, issn = {1932-2143}, doi = {10.1002/apj.130}, author = {Ranade, Vivek V. and Pareek, Vishnu} } @article { ISI:000259337100008, title = {Heteronuclear dipolar decoupling effects on multiple-quantum and satellite-transition magic-angle spinning NMR spectra}, journal = {Magnetic Resonance in Chemistry}, volume = {46}, number = {10}, year = {2008}, month = {OCT}, pages = {948-954}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
We here report on the influence of heteronuclear dipolar decoupling on the Al-27 3QMAS, 5QMAS, and the double-quantum filter-satellite-transition magic-angle spinning (DQF-STMAS) spectra of a strongly dipolar-coupled system, gibbsite. The requirements for heteronuclear dipolar decoupling increase with the order of coherence evolving in the indirect dimension of a two-dimensional (2D) experiment. The isotropic line width of the high-resolution 2D spectra, in samples like gibbsite, is composed of four parts: the distribution of isotropic shifts (delta(ISO), delta(QIS)), the homogeneous broadening related to the proton-proton flip-flop terms, the Al-27-Al-27 homonulcear dipolar couplings, and the H-1-Al-27 heteronuclear dipolar couplings. It is shown that, even in the case of gibbsite, where a strong proton-proton bath exists, the main resolution limiting factor in these experiments resides in the H-1-Al-27 dipolar interaction. Copyright (C) 2008 John Wiley \& Sons, Ltd.
}, keywords = {heteronuclear broadening, heteronuclear decoupling, homogeneous broadening, MQMAS, quadrupolar nuclei, Solid-state NMR, STMAS, TPPM}, issn = {0749-1581}, doi = {10.1002/mrc.2286}, author = {Ganapathy, Subramanian and Delevoye, L. and Arnoureux, J. P. and Madhu, Perunthiruthy K.} } @article { ISI:000254872600028, title = {Heteropoly acid encapsulated SBA-15/TiO(2) nanocomposites and their unusual performance in acid-catalysed organic transformations}, journal = {Chemistry-A European Journal}, volume = {14}, number = {10}, year = {2008}, month = {FEB}, pages = {3200-3212}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
The preparation of SBA-15/TiO(2) nanocomposites with different loadings of Keggin-type 12-tungsto-phosphoric acid (TPA) nanocrystals in their mesochannels through a simple and effective vacuum impregnation method is reported for the first time. The catalysts have been characterised by various sophisticated techniques, including XRD, HRSEM, and TEM. It has been found that the acidity and the textural parameters of the nanocomposites can be controlled by simply changing the loadings of TPA and TiO(2) or the calcination temperature. TPA and TiO(2) loadings of 15 and 22.4 wt \%, respectively, and a calcination temperature of 1123 K have proved to be optimal for obtaining mesoporous nanocomposite materials with the highest acidity. Moreover, the activities of these catalysts in promoting hydroamination as well as Mannich and Claisen rearrangement reactions have been extensively investigated. The results show that the amount of TPA has a great influence on the activity of the nanocomposites in all of the reactions studied. The effects of other reaction parameters, such as temperature and reaction time, on the conversion and product selectivity have also been studied in detail. A kinetic analysis of the formation of the products under various reaction conditions is presented. It has been found that the activity of the nanocomposite composed of 15 wt \% TPA deposited on 22.4 wt of TiO(2) on SBA-15 in promoting the studied reaction is remarkably higher than the catalytic activities shown by pure TPA, TiO(2)-loaded SBA-15, or TPA-loaded SBA-15. The results obtained have indicated that the acidity and the structural control of the nanocomposite materials are highly critical for obtaining excellent catalytic activity, and the presented highly acidic nanocomposites are considered to show great potential for use as catalysts in promoting many acid-catalysed organic transformations.
}, keywords = {Bronsted acids, mesoporous materials, nanoreactors, nanotechnology, supported catalysts}, issn = {0947-6539}, doi = {10.1002/chem.200701562}, author = {Sawant, Dhanashri P. and Justus, Josena and Balasubramanian, Veerappan V. and Ariga, Katsuhiko and Srinivasu, Pavuluri and Velmathi, Sivan and Halligudi, Shivappa B. and Vinu, Ajayan} } @article { ISI:000260978000009, title = {Heteropoly acid-based supported ionic liquid-phase catalyst for the selective oxidation of alcohols}, journal = {Journal of Catalysis}, volume = {259}, number = {2}, year = {2008}, month = {OCT}, pages = {232-239}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
A supported ionic liquid strategy has been applied for the immobilization of a heteropolyacid, molybdovanadophosphoric acid, onto ionic liquid-modified mesoporous silica SBA-15. The immobilized catalyst demonstrated high activity in the aerobic oxidation of primary and secondary alcohols to aldehydes and ketones, respectively. No overoxidation of the primary alcohols to carboxylic acids was observed. Secondary alcohols were chemoselectively oxidized to ketones in the presence of primary alcohol, hetero atom, and allyl groups. This catalyst could be recycled five times without obvious loss of activity. (C) 2008 Elsevier Inc. All rights reserved.
}, keywords = {Air as an oxidant, Mesoporous silica SBA-15, Molybdovanadophosphoric acid, Selective oxidation, Supported ionic liquid}, issn = {0021-9517}, doi = {10.1016/j.jcat.2008.08.010}, author = {Bordoloi, Ankur and Sahoo, Suman and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000256178900021, title = {Heteropolyacid supported on acidic clay: a novel efficient catalyst for alkylation of ethylbenzene with dilute ethanol to diethylbenzene in presence of C-8 aromatics}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {285}, number = {1-2}, year = {2008}, month = {APR}, pages = {155-161}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Vapor phase alkylation of ethylbenzene with ethanol to diethylbenzene is industrially relevant. Diethylbenzene is an important raw material for the conversion of divinyl benzene monomer. Conventionally, it is prepared from diacetophenone by reduction. It is also prepared by vapor phase alkylation of ethylbenzene with ethylene using zeolitic catalysts. The efficacy of dodecatungsotphosphoric acid (DTPA) supported on acid treated clay has been evaluated in the current work in the alkylation of ethylbenzene with 80\% (w/w) ethanol. 15\% (w/w) DTPA/K-10 clay was found to be an efficient and robust catalyst. The use of aqueous ethanol and a mixed C-8 stream lowers the cost of production. A kinetic model is developed by studying the important process parameters with 15\% (w/w) DTPA/K-10 as the catalyst. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Alkylation, diethylbenzene, Heteropolyacid, kinetics, Solid acids}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.11.018}, author = {Bokade, Vijay V. and Yadav, Ganapati D.} } @article { ISI:000255190300006, title = {Hexavalent chromate reduction by immobilized streptomyces griseus}, journal = {Biotechnology Letters}, volume = {30}, number = {6}, year = {2008}, month = {JUN}, pages = {1005-1010}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Hexavalent chromium, which is a mutagen and carcinogen, was efficiently reduced by Streptomyces griseus. This activity was associated with the cell. Cr6+ reduction by free as well as immobilized cells was studied: cells in PVA- alginate had the highest ( 100\%) Cr6+ removal efficiency in 24 h with reduction rates similar to free cells. Immobilized cells completely reduced 25 mg Cr6+ l(-1) in 24 h. PVA- alginate immobilized cells could be reused four times to completely reduce 25 mg Cr6+ l(-1) in 24 h each time. Chromate in a simulated effluent containing Cu2+, Mg2+, Mn2+ and Zn2+ was completely reduced by PVA- alginate immobilized cells within 9 h.
}, keywords = {Chromate reduction, Immobilized cells, polyvinyl alcohol, Streptomyces griseus}, issn = {0141-5492}, doi = {10.1007/s10529-008-9662-0}, author = {Poopal, Ashwini C. and Laxman, Ryali Seeta} } @article { ISI:000258456000007, title = {High frequency occurrence of single cotyledonary embryo morphotype and repetitive somatic embryogenesis in {\textquoteleft}Thompson Seedless{\textquoteright} crossed with seven grapevine male parents}, journal = {Vitis}, volume = {47}, number = {3}, year = {2008}, month = {JAN}, pages = {169-174}, publisher = {JKI-INSTITUT REBENZUCHTUNG}, type = {Article}, address = {GEILWEILERHOF, D-76833 SIEBELDINGEN, GERMANY}, abstract = {
Direct somatic embryogenesis was observed in zygotic embryos rescued from intra- and inter-specific crosses between {\textquoteleft}Thompson Seedless{\textquoteright} and seven male parents of grapevine when the embryos were cultured on Woody Plant Medium (WPM) supplemented with benzyladenine (1 mu M). Repetitive somatic embryogenesis occurred on the same medium, which also supported a high percentage of embryo maturation, germination and plantlet development. The cultures retained embryogenic potential for more than two years. We observed a high frequency occurrence of mono-cotyledonous embryo morphotype and other morphological variations in somatic embryos of all the crosses. The percentage of embryos having mono-, di-, tri-, multiple and abnormal cotyledons varied among the crosses. The overall percentage of monocot embryos was 35.50 \%, as against 38.64 \% of dicot embryos, while the germination rates for mono- and dicot- embryos were 24.44 \% and 24.15 \%, respectively. Shoot development was poor in tri- and multiple-cotyledonary embryos, while there was no shoot formation in abnormal embryos. We assume that the relatively high occurrence of single cotyledonary morphotype, may be due to the repetitive exposure of embryogenic tissues to a medium containing benzyladenine.
}, keywords = {cotyledon, Grapevine, somatic embryo, Vitis}, issn = {0042-7500}, author = {Bharathy, P. V. and Agrawal, Dinesh C.} } @article { ISI:000255086600041, title = {Highly active nanostructured Co3O4 catalyst with tunable selectivity for liquid phase air oxidation of p-cresol}, journal = {Chemistry Letters}, volume = {37}, number = {3}, year = {2008}, month = {MAR}, pages = {310-311}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
This is a first report of highly efficient heterogeneous nanostructured Co3O4 catalyst (6-8 nm) having high surface area (95 m(2)/g) developed for selective liquid phase air oxidation of p-cresol under atmospheric pressure conditions.
}, issn = {0366-7022}, doi = {10.1246/cl.2008.310}, author = {Kshirsagar, Vikas S. and Vijayanand, Subramanian and Potdar, Hari S. and Joy, Pattayil Alias and Patil, Kashinath R. and Rode, Chandrashekhar V.} } @article { ISI:000252252400015, title = {Highly chemoselective catalytic system for hydrogenation of diketones to ketols: an environmentally benevolent system}, journal = {Catalysis Letters}, volume = {120}, number = {3-4}, year = {2008}, month = {JAN}, pages = {257-260}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
Ru(Phen)(2)Cl-2 [Phen = Phenanthroline] anchored in organo-functionalized MCM-41 [Ru(Phen)(2)Cl-NH-MCM-41] efficiently catalyzes highly chemoselective hydrogenation of diketones to ketols (Sel. similar to 99\%) under environmentally benign tri-phasic (solid-liquid-liquid) reaction condition in aqueous medium.
}, keywords = {Chemoselective, dione, Hydrogenation, ketol, ruthenium phenanthroline, Water}, issn = {1011-372X}, doi = {10.1007/s10562-007-9278-3}, author = {Deshmukh, Amit A. and Kinage, Anil K. and Kumar, Rajiv} } @article { ISI:000254979800027, title = {Highly efficient and chemo selective catalyst system for the synthesis of blossom orange fragrance and flavoring compounds}, journal = {Catalysis Communications}, volume = {9}, number = {7}, year = {2008}, month = {APR}, pages = {1671-1675}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{Acetal and acylal formation reactions of organic compounds are efficiently catalyzed by zirconia-supported mixed oxide systems under liquid-phase reaction conditions. 15WZ-750 (where
}, keywords = {Acetal, acylal, Silicotungstic acid, tungsten oxide, tungstophosphoric acid, Zirconia}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.01.025}, author = {Justus, Josena and Vinu, Ajayan and Devassy, Biju M. and Balasubramanian, Veerappan V. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000253042300017, title = {Highly efficient sulfimidation of 1,3-dithianes by Cu(I) complexes}, journal = {Synthetic Communications}, volume = {38}, number = {4}, year = {2008}, month = {FEB}, pages = {619-625}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A series of four Cu(I) complexes were tested for sulfimidation of 1,3-dithianes in the presence of [N-(p-tolysulfonyl)imino]phenyliodinane (PhI = NTs) as the nitrene-transfer agent. Cu(TMPhen)(PPh3)Br is an efficient catalyst with more than 90\% yield of the corresponding product with less reaction time as compared to the literature copper(I) complexes.
}, keywords = {1, 3-dithianes, Cu(I) complexes, PhI = NTs, sulfimidation}, issn = {0039-7911}, doi = {10.1080/00397910701798200}, author = {Giribabu, Lingamallu and Singh, Surya P. and Patil, Nandkumar M. and Kantam, M. Lakshmi and Gupte, Sunil P. and Chaudhari, Raghunath V.} } @article { ISI:000258433400008, title = {Highly selective approach for the total synthesis of (+)-heliconol A}, journal = {Tetrahedron-Asymmetry}, volume = {19}, number = {13}, year = {2008}, month = {JUL}, pages = {1568-1571}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The total synthesis of heliconol A, a representative of a new class of polyketide-derived hemiketals containing a reduced furanocyclopentane unit, has been achieved via the stereoselective reduction of a ketone, the face selective dihydroxylation, a Sonogashira coupling reaction, and a cis-selective reduction as the key steps. (C) 2008 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2008.05.031}, author = {Mohapatra, Debendra K. and Chatterjee, Bhaskar and Gurjar, Mukund K.} } @article { ISI:000258800700002, title = {Highly selective catalytic hydrogenation of arenes using rhodium nanoparticles supported on multiwalled carbon nanotubes}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {35}, year = {2008}, month = {SEP}, pages = {13317-13319}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Rhodium nanoparticles (RhNPs; 4.9 +/- 0.4 nm) supported on multiwalled carbon nanotubes (Rh/MWNT), prepared by simple microwave treatment, show a remarkable catalytic activity for arene hydrogenation with enhanced turnover numbers of similar to 10000; disubstituted arenes show selective conversion of thermodynamically less favorable cis products (\>80\%). A series of arenes have been tested using various Rh-based catalysts, and a comparison of the results with that of reported rhodium catalysts shows unique selectivity under mild conditions.
}, issn = {1932-7447}, doi = {10.1021/jp804843h}, author = {Kakade, Bhalchandra A. and Sahoo, Suman and Halligudi, Shivappa B. and Pillai, Vijayamohanan K.} } @article { ISI:000254979800023, title = {Highly selective synthesis of mono-ethylene glycol phenyl ethers via hydroxyalkoxylation of phenols by cyclic carbonates using large pore zeolites}, journal = {Catalysis Communications}, volume = {9}, number = {7}, year = {2008}, month = {APR}, pages = {1649-1655}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Hydroxyalkoxylation of phenols by cyclic carbonates catalyzed by alkali loaded large pore zeolites has been reported. The study shows that KL type zeolite was recyclable and selective in producing mono-ethylene glycol pheryl ethers in similar to 98.5\% yield. Various substituted simple phenols were converted into mono-ethylene glycol ether of phenols with over 90\% yields, except 3-bromo and 2-methyl phenols. Mono hydroxyl plienols such as hydroquinone, biphenol and BPA (2,2-bis(4-hydroxyphenyl)propane) also produce corresponding mono- and di-ethylene glycol ethers. The ratio of ethylene carbonate to phenol was found to be critical for selective formation of monoethylene glycol phenyl ether of phenols. A ratio of two results in formation of appreciable amount of diether derivative viz., 2-(2-phenoxyethoxy) ethanol. Compared to ethylene carbonate, a lower reactivity of 1,2-propane carbonate was found for hydroxyalkoxylation of phenol. It was found that ring opening at less hindered methylene carbon of 1,2-propylene carbonate prevailed giving rise to selective formation of beta-hydroxy phenyl ethers. The reactivity of ethylene carbonate towards O-alkylation versus transesterification of phenol has been explained on the basis of HSAB concept. Finally, it has been shown that yield of mono-ethylene glycol phenyl ether is controlled both by basicity and channel architecture of zeolite structure. KL zeolite was found to be the most effective zeolite because of it{\textquoteright}s intermediate basicity and one dimensional channel architect. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {cyclic carbonate, ethylene glycol phenyl ether, hydroxyalkoxylation, phenol}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.01.019}, author = {Kinage, Anil K. and Gupte, Sunil P. and Chaturvedi, Rajiv K. and Chaudhari, Raghunath V.} } @article { ISI:000255627700001, title = {High-purity synthesis of scrolled mats of multi-walled carbon nanotubes using temperature modulation}, journal = {Carbon}, volume = {46}, number = {4}, year = {2008}, month = {APR}, pages = {567-576}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Felt-like mats (6-7 mu m thick) of multimalled carbon nanotubes wrapped into scrolls have been synthesized by chemical vapor deposition from a toluene-ferrocene mixture using a temperature ramp from 680 degrees C to 550 degrees C in hydrogen-argon atmosphere. Thermogravimetric analysis reveals a very low catalyst content of ca. 1.25 wt\% in the as-synthesized sample while, X-ray photo electron and Raman spectroscopies suggest the results matching with that of multiwalled carbon nanotubes. Considering, different time scales of various reactions and the diffusion of different reactants and products a tentative base growth mechanism has been proposed as per the available characterization data in conjunction with possible scrolling effects. Thermal expansion effects could explain a tentative mechanism for rolling action of sheets. Interestingly, electrical conductivity measurements as a function of temperature suggest a semiconducting behavior, despite being governed by different electron transport mechanisms with activation energies of 0.33 and 1.03 meV corresponding to two temperature ranges respectively. Cyclic voltammetry and electrochemical impedance analysis show a reversible redox behavior due to very low catalyst content and an irreversible etching of the Fe catalyst after acid treatment. (C) 2007 Elsevier Ltd. All rights reserved.
}, issn = {0008-6223}, doi = {10.1016/j.carbon.2007.12.020}, author = {Kakade, Bhalchandra A. and Allouche, Hatem and Mahima, Subhramanyam and Sathe, Bhaskar R. and Pillai, Vijayamohanan K.} } @article { ISI:000259651700007, title = {Hydrated clay for catalyst removal in copper mediated atom transfer radical polymerization(a)}, journal = {Macromolecular Rapid Communications}, volume = {29}, number = {18}, year = {2008}, month = {SEP}, pages = {1538-1543}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
A simple method has been described to remove catalyst from the copper mediated atom transfer radical polymerization (ATRP) of benzyl methacrylate and methyl methacrylate in anisole at 25 degrees C using hydrated natural clay (sodium montmorillonite, Na-clay). The method consists of (1) addition of hydrated clay (CU(I/)clay approximate to 5 wt.-\%) either during or after the polymerization, (2) oxidation of catalyst complex by exposing the terminated reaction mixture in air, and (3) filtration to obtain catalyst free polymer solution. A strong coordination of CuBr-ligand complex onto hydrated clay (10 wt.-\%
}, keywords = {Atom transfer radical polymerization (ATRP), Catalysts, clay, selectivity, synthesis}, issn = {1022-1336}, doi = {10.1002/marc.200800240}, author = {Munirasu, Selvaraj and Deshpande, Ashwini and Baskaran, Durairaj} } @article { ISI:000260776600040, title = {Hydrazine based facile synthesis and ordered assembly of metal nanoparticles (Au, Ag) on a bacterial surface layer protein template}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {7}, year = {2008}, month = {JUL}, pages = {3565-3569}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
An efficient and facile procedure is developed for concurrent in situ synthesis and ordered assembly of metal nanoparticles on a periodic two dimensional protein array. The S-layer protein of Bacillus subtilis exhibiting uniform pore size is used as template. Synthesis of gold and silver nanoparticles anchoring on the pores of S-layer is achieved by chemical reduction of respective metal salt laden protein template. Transmission electron microscopy reveals formation of well ordered and separated gold and silver nanoparticles with an average diameter of 6 +/- 1 nm and 4 +/- 1 nm, respectively. The periodic arrangement of nanoparticles is dictated by the native structure of S-layer protein array as the nanoparticle locations are found to be correlated to the nanosized pores of the crystalline S-layer array.
}, keywords = {Bacteria, Metal Nanoparticles, synthesis}, issn = {1533-4880}, doi = {10.1166/jnn.2008.135}, author = {Puranik, Sarang S. and Joshi, Hrushikesh M. and Ogale, S. B. and Paknikar, K. M.} } @article { ISI:000256501000031, title = {Hydrogen bonding-directed metallosupramolecular structural motifs based on a peripheral urea fused bipyridine tecton}, journal = {Crystal Growth \& Design}, volume = {8}, number = {6}, year = {2008}, month = {JUN}, pages = {1952-1960}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The potential of bipyridine glycoluril (BPG), a urea fused bipyridine, tecton to form metal-organic frameworks (MOFs) has been explored by structural characterization of BPG and its complexes [Ru(phen)(BPG)(2)]Cl(2) (1) and [Ru(BPG)(3)]Cl(2) (2). The single crystal X-ray structure of BPG reveals that the inherent H-bond donor (N-H) and acceptor groups (C=O) exhibit a potential to generate diverse supramolecular motifs depending on the stoichiometry of tectons. The single crystal X-ray analysis of the secondary building units 1 and 2 provide evidence for this hydrogen-bonding capacity which results in supramolecular self-assembled metal-organic frameworks (MOF) via C-H center dot center dot center dot Cl, C-H.center dot center dot center dot O, N-H center dot center dot center dot Cl, and N-H center dot center dot center dot O interactions with a cluster of water molecules and chlorine anions surrounding secondary building units in I and channels encapsulating mixed water-dimethylsulfoxide clusters in 2.
}, issn = {1528-7483}, doi = {10.1021/cg8000015}, author = {Deshpande, Megha S. and Kumbhar, Avinash S. and Puranik, Vedavati G.} } @article { ISI:000252293400023, title = {Hydrogenation activity and selectivity behavior of supported palladium nanoparticles}, journal = {Catalysis Communications}, volume = {9}, number = {3}, year = {2008}, month = {MAR}, pages = {441-446}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Enhancement in activity and selectivity of catalytic hydrogenation using supported nanosize palladium catalyst has been investigated. Pd/C catalyst prepared in the presence of polyvinyl pyrrolidone (PVP) as a stabilizer gave Pd particle size in a narrow range of 3-5 nm. While, evaluating for hydrogenation of 2-butyne-1,4-diol, the rate enhancement was found to be 10 times higher as compared to the conventional (bulk) Pd catalysts. A proper choice of stabilizer (PVP) giving small particle size as well as highly dispersed nature of nano particles were the major factors for such a dramatic enhancement of activity. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {butynediol, Catalytic hydrogenation, nanosize palladium, Selective hydrogenation, SEM-EDX analysis, size distribution, supported Pd nanoparticles}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.07.023}, author = {Nadgeri, J. M. and Telkar, M. M. and Rode, C. V.} } @article {42592, title = {Hydrogen-bonding-induced conformational change from J to H aggregate in novel highly fluorescent liquid-crystalline perylenebisimides}, journal = {Chemistry of Materials}, volume = {20}, year = {2008}, month = {DEC}, pages = {169{\textendash}181}, type = {Article}, abstract = {
A series of highly fluorescent liquid-crystalline perylenebisimide molecules having amide or ester linkage and end-capped by phenyl, monododecyloxy phenyl, or tridodecyloxy phenyl units have been synthesized and fully characterized. The amide-functionalized series self-organized to form H type aggregates regardless of their end-capping in organic solvents like tetrahydrofuran (THF), toluene, and dichloromethane. On the other hand, only the monododecyloxy phenyl end-capped molecule in the ester series showed a tendency to self-organize with a typical J type aggregation in toluene. In both series, the highest aggregation tendency was shown by the one having monododecyloxy phenyl end-capping, with the transition temperature from aggregated to molecularly dissolved species occurring at 60 {\textdegree}C for the amide and 50 {\textdegree}C for the ester molecule. At higher concentrations in toluene, the fluorescence spectra of the monododecyloxy phenyl and tridodecyloxy phenyl terminal-substituted amide derivatives showed the formation of a new peak corresponding to excimer emission at 670 nm. Thin drop cast films of the perylenebisimide ester and amide series gave only excimer emission \~{}670 nm upon excitation. Thermal analysis using differential scanning calorimetry (DSC), polarized light microscopy (PLM), and powder X-ray diffraction measurements were utilized to study the liquid-crystalline (LC) characteristics of the molecules. Scanning electron micrograph (SEM) of thin drop-cast samples that were annealed in toluene showed the formation of supramolecular rods several micrometers in length, especially for the amide derivatives. The ester derivative, on the other hand, showed a leaflike morphology thus differentiating it from the amide series, which have both hydrogen bonding and π-π interactions to support self-organization.
}, doi = {10.1021/cm702497y}, author = {Jancy, B. and Asha, S. K.} } @article { ISI:000258722100083, title = {Hydroxyl-functionalized polyaniline nanospheres: tracing molecular interactions at the nanosurface via vitamin C sensing}, journal = {Langmuir}, volume = {24}, number = {17}, year = {2008}, month = {SEP}, pages = {9754-9762}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Here, we report a synthesis of novel polyaniline nanospheres bearing mono- and bishydroxyl functional groups were to trace the molecular interactions at the nanosurfaces through vitamin C sensing. Two new aniline monomers synthesized via a tailor-made approach and polymerized to produce soluble and uniform polyaniline nanospheres. The structures of the monomers and polymers were characterized by NMR, FT-IR, and MS techniques, and the morphology of the nanomaterials was analyzed by SEM and TEM. The mechanistic aspects of the nanomaterial formations were analyzed by FT-IR and dynamic light scattering techniques. These studies revealed that the hydroxyl-functionalized monomers have strong hydrogen bonding at the monomer level and form spherical aggregates in water, which are templates for the polyaniline nanospheres 600 +/- 100 nm in size. A controlled synthesis was also carried out using aniline hydrochloride as an unsubstituted counterpart, which yields polyaniline nanofibers. WXRD analysis confirmed the presence of a sharp peak at lower angle at 2 theta = 7.3 degrees (d-spacing of 13.4 angstrom) in hydroxyl-substituted nanospheres with respect to enhancement of solid-state ordered crystalline domains, whereas unsubstituted nanofibers were found to be highly amorphous. Vitamin C was employed as an analyte to trace the molecular interaction at the nanosphere surface and Study the influence of nanosurface functionalization on the sensing ability of biomolecules. The bishydroxyl-functionalized polyaniline nanospheres were found to show efficient molecular interactions toward vitamin C, whereas nanospheres with a monohydroxyl group or unsubstituted nanofibers failed as sensing materials. In a nut shell, in the present investigation, for the first time, we have proved the importance of surface functionalization of polyaniline nanomaterial, exclusively nanospheres, using hydroxyl groups for studying the molecular interactions at the nanosurfaces with biomolecules such as vitamin C.
}, issn = {0743-7463}, doi = {10.1021/la801128j}, author = {Anilkumar, P. and Jayakannan, M.} } @article { ISI:000260976900021, title = {Identification and characterization of flow structures in chemical process equipment using multiresolution techniques}, journal = {Chemical Engineering Science}, volume = {63}, number = {21}, year = {2008}, month = {NOV}, pages = {5330-5346}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Planar information of velocity from 2D particle image velocimetry (PIV) and large eddy simulation (LES) data have been studied using multiresolution wavelet transform (WT) formalisms, i.e., discrete and continuous WT. Identification of dominant energy containing structures with their characterization in terms of fractal spectra have been carried out for industrially important equipment exhibiting turbulent behavior. These include annular centrifugal contactor, jet loop reactor, ultrasound reactor, channel flow, stirred tank and bubble column reactor. The characterization of their dynamics based on denoising the data and studying the local energy along the WT scales show sensitive variation and this helps in identifying the size and shape of structures. A dependency is seen between mixing time and the higher order moments of length scale distribution, viz., skewness and kurtosis and a generalized correlation has been built up for important types of equipment and associated flow parameters. The correlation is not only based on the knowledge of reactor geometry and operating conditions but also on the flow structures via their statistical parameters. Wavelet transform modulus maxima (WTMM) methodology has been used to study the evolution of structures and their interaction in a reduced dimensionality by evaluating the fractal spectra. Classification studies have been carried out using principal component analysis (PCA) of the fractal spectra. The results obtained show clear classes for the six types of equipments and delineate regimes to obtain benchmark patterns of flow hydrodynamics based on PCA co-ordinates. This methodology offers a generalized way for the optimal design and operation of different types of reactors. (c) 2008 Published by Elsevier Ltd .
}, keywords = {Chemical reactors, hydrodynamics, Length scale distribution, mixing, Model reduction, Turbulence, Wavelet transform}, issn = {0009-2509}, doi = {10.1016/j.ces.2008.06.010}, author = {Deshpande, Sagar S. and Joshi, Jyeshtharaj B. and Kumar, V. Ravi and Kulkarni, B. D.} } @article {43067, title = {Identification of ripening specific proteins in tomato by intact tissue MALDI-TOF-MS.}, journal = {Electronic Journal of Food and Plants Chemistry}, volume = {3}, year = {2008}, month = {JAN}, pages = {10-13}, author = {Korwar, Arvind M. and Santhakumari, B. and Kulkarni, Mahesh J.} } @article { ISI:000256281800005, title = {Imaging the interaction between dengue 2 virus and human blood platelets using atomic force and electron microscopy}, journal = {Journal of Electron Microscopy}, volume = {57}, number = {3}, year = {2008}, month = {JUN}, pages = {113-118}, publisher = {OXFORD UNIV PRESS}, type = {Article}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {
Thrombocytopenia is frequently associated with dengue virus infection. Host factors such as anti-platelet immunopathogenic processes have been implicated in the origin of dengue-associated thrombocytopenia but the role of dengue virus in directly interacting with platelets and altering their hemostatic property remains incompletely understood. In the present study, we examined the effect of dengue 2 virus on the morphology and physiological activation profile of normal human platelets using atomic force microscopy, electron microscopy and flowcytometry. Platelets obtained from healthy donors were exposed to a cell culture-adapted 10(4) LD(50) dengue 2 virus isolate in vitro and the subsequent effect on morphology and activation biology studied. Our results show that dengue 2 virus exposure at doses comparable to natural viremic states in human infections can activate platelets with an increase in P-selectin expression and fibrinogen-binding property. Atomic force, scanning and transmission electron microscopy also showed typical activation-related morphological changes such as altered platelet membrane architecture, degranulation, presence of filopodia and dilatation of the open canalicular system in the dengue 2 virus-exposed platelets but not in the controls. Importantly, Japanese encephalitis virus exposure at the same dose did not activate platelets or show any morphological changes. Our findings suggest that dengue 2 virus may directly interact with and activate platelets - an event that might be important in the origin of dengue-associated thrombocytopenia. Detailed molecular characterization of this effect might provide key knowledge toward better prophylaxis of the hemostatic complications of dengue disease.
}, keywords = {AFM, dengue virus, Electron microscopy, platelet}, issn = {0022-0744}, doi = {10.1093/jmicro/dfn007}, author = {Ghosh, Kanjaksha and Gangodkar, Shobha and Jain, Preksha and Shetty, Shrimati and Ramjee, Sandhya and Poddar, Pankaj and Basu, Atanu} } @article { ISI:000257200200028, title = {Imaging the stomatal physiology of somatic embryo-derived peanut leaves by scanning electrochemical microscopy}, journal = {Analytical and Bioanalytical Chemistry}, volume = {391}, number = {6}, year = {2008}, month = {JUL}, pages = {2227-2233}, publisher = {SPRINGER HEIDELBERG}, type = {Article}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
The stomatal physiology, chlorophyll distribution and photosynthetic activity of somatic embryo (SE)- and seedling-derived peanut plants grown in vitro (test tube-grown) and extra vitrum (soil-grown) are investigated using scanning electrochemical microscopy (SECM). This SECM imaging is performed in two different feedback modes, corresponding to oxygen evolution and chlorophyll distribution. More specifically, the oxygen evolution profiles of the in vitro leaves indicate important differences in leaf anatomy between the SE- and seedling-derived leaves. On the other hand, the chlorophyll distribution images show individual stomata of size ca. 27 +/- 5 mu m. Further studies on senescing (aged) leaves reveal interesting voltammograms that vary widely over the stomatal complexes and the surrounding tissues, probably due to the release of electroactive metabolites during chlorophyll breakdown when the leaves turn yellow. Thus, the present investigation could open up new opportunities for characterizing botanical systems using electroanalytical techniques. In addition, it could provide further insights into various areas of current relevance, including signal transduction, cell fate/differentiation and developmental biology.
}, keywords = {leaf senescence, oxygen evolution, photosynthesis, SECM, somatic embryogenesis, stomata}, issn = {1618-2642}, doi = {10.1007/s00216-008-2132-7}, author = {Parthasarathy, Meera and Singh, Shweta and Hazra, Sulekha and Pillai, Vijayamohanan K.} } @article { ISI:000254479300039, title = {Immobilization of Candida rugosa lipase on poly(allyl glycidyl ether-co-thylene glycol dimethacrylate) macroporous polymer particles}, journal = {Bioresource Technology}, volume = {99}, number = {9}, year = {2008}, month = {JUN}, pages = {3623-3629}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Macroporous polymer particles containing surface epoxy groups were synthesized for immobilization of Candida rugosa lipase (CRL). The effect of incorporation of two different sets of monomers [allyl glycidyl ether (AGE) and glycidyl methacrylate (GMA)] and the effect of crosslinking density on immobilization of lipase were studied. AGE-co-EGDM polymers gave higher binding and expression of lipase than GMA-co-EGDM polymers. Optimization of immobilization parameters was done with respect to immobilization time and enzyme loading. Amongst AGE-co-EGDM polymer series, AGE-150 polymer found to give maximum lipase activity yield and therefore evaluated for temperature, pH and storage stability. Under optimum conditions, AGE-150 polymer gave 78.40\% of activity yield. Immobilized lipase on AGE-150 showed a broader pH, higher temperature and excellent storage stability. (C) 2007 Published by Elsevier Ltd.
}, keywords = {Candida rugosa lipase, Enzyme immobilization, Epoxy-activated support}, issn = {0960-8524}, doi = {10.1016/j.biortech.2007.07-035}, author = {Vaidya, Bhalchandra K. and Ingavle, Ganesh C. and Ponrathnam, S. and Kulkarni, B. D. and Nene, Sanjay N.} } @article { ISI:000261282400004, title = {Immobilization of penicillin G acylase on amino functionalized mesoporous silica}, journal = {Research Journal of Biotechnology}, volume = {3}, number = {4}, year = {2008}, month = {NOV}, pages = {18-21}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, type = {Article}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {
Penicillin G acylase was immobilized on Amino functionalized mesoporous silica by adsorption method. In this paper we present the effect of penicillin G acylase immobilization on amino-functionalized mesoporous silica and the effect of silica as host matrix on enzyme kinetics. The loading capacity of immobilized Penicillin G acylase is 34 mg protein per 0.5 g of SBA-15. About 65\% of the protein was adsorbed on mesoporous silica. The stability of penicillin acylase was enhanced after immobilization on mesoporous silica. The adsorbed enzyme is more stable than the soluble form, both to temperature and pH environments and retained 73\% of its activity.
}, keywords = {Amino functionalized mesoporous silica, Immobilization, Penicillin G acylase, pH and temperature stabilities}, issn = {0973-6263}, author = {Sridevi, N. and Pallavi, Shah and Asmita, Prabhune} } @article { ISI:000255310900005, title = {Improved procedure for the synthesis of (2R)-N-propenoylbornane-2,10-sultam}, journal = {Organic Preparations and Procedures International}, volume = {40}, number = {2}, year = {2008}, month = {APR}, pages = {209-213}, publisher = {ROUTLEDGE JOURNALS, TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXFORDSHIRE, ENGLAND}, issn = {0030-4948}, author = {Laha, Joydev K.} } @article { ISI:000256200500004, title = {Improved pulse schemes for separated local field spectroscopy for static and spinning samples}, journal = {Solid State Nuclear Magnetic Resonance}, volume = {33}, number = {3}, year = {2008}, month = {MAR}, pages = {57-63}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
An improved pulse sequence for SLF experiments based on the magic sandwich (MS) scheme for homonuclear dipolar decoupling is proposed. The sequence incorporates a double MS, both on I and S spins and has been named as EXE-MS2. The proposed scheme which has a scaling factor of 1 is observed to be free from low intensity artifacts and provides better line-widths particularly for S spins labeled at multiple sites. The pulse sequence which has been applied on static oriented samples incorporates the EXE scheme where direct polarization of the S spin in the B-0 field is utilized in the place of polarization inversion and is observed to perform well without any loss of sensitivity while ensuring considerable reduction in rf power input into the sample. The EXE scheme has also been tested for solid samples under MAS. (C) 2008 Elsevier Inc. All rights reserved.
}, keywords = {magic sandwich pulses, PISEMA, SLF}, issn = {0926-2040}, doi = {10.1016/j.ssnmr.2008.03.001}, author = {Das, Bibhuti B. and Ajithkumar, Thalasseril G. and Ramanathan, K. V.} } @article { ISI:000262377000003, title = {In situ synthesis of ligand reduced/capped silver nanoparticles and the effect of temperature and ligand structure on the size of silver nanoparticles}, journal = {Journal of Chemical Sciences}, volume = {120}, number = {6}, year = {2008}, note = {International Conference on Molecules and Materials - New Directions, Bangalore, INDIA, DEC 04, 2008}, month = {JAN}, pages = {515-520}, publisher = {INDIAN ACAD SCIENCES}, type = {Article, Proceedings Paper}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
We report in situ synthesis of silver nanoparticles using biosurfactants called sophorolipids as reducing and capping agents. We further study the effect of temperature and the structure of sophorolipid on the size of silver nanoparticles obtained. The silver nanoparticles were characterized by UV-visible, transmission electron microscope (TEM) and light scattering (DLS) analysis techniques.
}, keywords = {dynamic light scattering, Nucleation and growth, silver nanoparticles, Sophorolipid}, issn = {0974-3626}, doi = {10.1007/s12039-008-0080-6}, author = {Kasture, M. B. and Patel, P. and Prabhune, Asmita and Ramana, C. V. and Kulkarni, A. A. and Bhagavatula L. V. Prasad} } @article { ISI:000254648100007, title = {In situ synthesis of Pt nanoparticles in SBA-15 by encapsulating in modified template micelles: size restricted growth within the mesochannels}, journal = {Journal of Materials Chemistry}, volume = {18}, number = {15}, year = {2008}, month = {FEB}, pages = {1765-1770}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A truly in situ and simple method is developed for nanoparticle incorporation within the mesochannels of SBA-15 involving dispersion of metal precursors in surfactant-modified polymer micelles. The diffusion of the precursor within the micellar structure is aided by interaction with the cationic head group of the surfactant leading to a unique method to facilitate the formation of highly disperse, uniform nanoparticles molded by the walls of the mesochannels. The nanoparticle incorporated mesoporous material has a highly enhanced surface area and adsorption capabilities in comparison to its parent materials without any pore blockage which makes this method ideal for the preparation of nanocatalysts.
}, issn = {0959-9428}, doi = {10.1039/b717991j}, author = {Prashar, Atul K. and Hodgkins, Robert P. and Kumar, Rajiv and Devi, R. Nandini} } @article { ISI:000257844000009, title = {In vitro regeneration of {\textquoteleft}Green Sweet{\textquoteright} apple via nucellus-raised callus}, journal = {Journal of Horticultural Science \& Biotechnology}, volume = {83}, number = {4}, year = {2008}, month = {JUL}, pages = {447-452}, publisher = {HEADLEY BROTHERS LTD}, type = {Article}, address = {INVICTA PRESS, ASHFORD TN24 8HH, KENT, ENGLAND}, abstract = {
For the first time, an in vitro regeneration system for {\textquoteleft}Green Sweet{\textquoteright} apple has been developed from nucellus-raised callus. Callus induction (100\%) occurred in nucellar explants excised from immature fruit when cultivated on Murashige and Skoog (MS) basal medium, free of plant growth regulators (PGR) and supplemented with 3.0\% (w/v) sucrose and 0.8\% (w/v) agar. When cultured on MS basal medium supplemented with 10.0 mu M benzyladenine (BA) and 1.0 mu M gibberellic acid (GA(3)), calli showed 88.9 +/- 5.6\% shoot regeneration with 4.1 +/- 0.1. shoots per explant, and a mean shoot length of 3.5 +/- 0.2 cm. Elongated shoots produced roots (44.4 +/- 5.6\%) when placed in half-strength MS basal medium supplemented with 1.0 mu M indole-3-butyric acid (IBA) and 1.0 mu M a-naphthaleneacetic acid (NAA). Maximum rooting percentage (55.6 +/- 5.6\%) was obtained on 0.4\% (w/v) agar, while the highest number of roots per shoot (2.8 +/- 0.4 roots) and root length (3.4 +/- 0.2 cm) were recorded on 0.6\% (w/v) agar. Acclimatisation of in vitro-raised plantlets resulted in 39.1 \% surviving plantlets. The findings of this study indicate that nucellus-raised callus of the apple cultivar {\textquoteleft}Green Sweet{\textquoteright} can efficiently regenerate shoots that can be rooted and successfully acclimatised.
}, issn = {1462-0316}, author = {Joshi, Soumai Kant and Bisht, Vandana and Dhar, Uppeandra and Joshi, Meena and Bisht, Anil Kumar} } @article { ISI:000252803200006, title = {Inactivation of polygalacturonase and pectate lyase produced by pH tolerant fungus Fusarium moniliforme NCIM 1276 in a liquid medium and in the host tissue}, journal = {Microbiological Research}, volume = {163}, number = {1}, year = {2008}, month = {JAN}, pages = {51-62}, publisher = {ELSEVIER GMBH, URBAN \& FISCHER VERLAG}, type = {Article}, address = {OFFICE JENA, P O BOX 100537, 07705 JENA, GERMANY}, abstract = {
Fusarium moniliforme NCIM 1276 produced pH dependent an extracellular potygalacturonase (PG) and pectate lyase (PL) at pH 5 and pH 8, respectively. In the extracellular medium about 20.3\% PG and 54\% of PL protein concentrations were present in the active state at pH 5 and pH 8, respectively, whereas in intracelluarly, more than 86\% of both protein contents remained in the active state at all pH tested. We found two possible reasons, end-product inhibition and effect of environmental. pH on conformation of the proteins after their release into the medium. Additionally, in infected tomato and cauliflower plants, the fungus secreted similar proteins which were located near to the epidermal and vascular regions of the hypocotyts. In infected tissues, between 26.9\% and to 41.5\% of PG and only 0.84\% - 13.4\% of PL protein concentrations were present in active state. Thus, the medium/cell sap pH and concentrations of substrate/end products seem to play an important role in fungal invasion during plant pathogenesis are discussed with current literature. (c) 2006 Elsevier GmbH. All rights reserved.
}, keywords = {Fusarium moniliforme, pathogenesis, pectate lyase, polygatacturonase}, issn = {0944-5013}, doi = {10.1016/j.micres.2006.03.004}, author = {Niture, Suryakant K. and Kumar, Ameeta R. and Parab, Pradeep B. and Pant, Aditi} } @article { ISI:000252529400025, title = {Incorporation of zirconium in medium-pore aluminophosphate molecular sieves with AEL framework}, journal = {Microporous and Mesoporous Materials}, volume = {108}, number = {1-3}, year = {2008}, month = {FEB}, pages = {223-229}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Zirconium incorporated alurninophosphate molecular sieves ZrAPO-11 was synthesized by hydrothermal method. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy, thermogravimetric/differential thermal analysis (TGA/DTA), diffuse reflectance UV-visible spectroscopy, magic-angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy (P-31 and Al-27). The acidity of the materials were determined by temperature programmed desorption (TPD) of ammonia. X-ray diffraction and scanning electron microscopy reveals formation of crystalline material in pure phase. Thermal analysis shows higher template content in zirconium containing samples than the corresponding AlPOs. MAS NMR suggests incorporation of zirconium in the framework. TPD reveals that the ZrAPO-11 samples were of higher acidity than AIPO(4)-11 (c) 2007 Elsevier Inc. All rights reserved.
}, keywords = {AlPO4-11, Aluminophosphate, catalysis, Molecular sieve, ZrAPO-11}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.03.044}, author = {Ganguli, J. N. and Chakrabortty, Dhruba and Satyanarayana, C. V. V.} } @article { ISI:000262395200001, title = {Influence of alkali metal doping on surface properties and catalytic activity/selectivity of CaO catalysts in oxidative coupling of methane}, journal = {Journal of Natural Gas Chemistry}, volume = {17}, number = {4}, year = {2008}, month = {DEC}, pages = {313-320}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Surface properties viz. surface area, basicity/base strength distribution, and crystal phases) of alkali metal doped CaO (alkali metal/Ca = 0.1 and 0.4) catalysts and their catalytic activity/selectivity ill oxidative coupling of methane (OCM) to higher hydrocarbons at different reaction conditions (viz. temperature. 700 and 750 degrees C: CH(4)/O(2) ratio. 4.0 and 8.0 and space velocity. 5140-20550 cm(3). g(-1).h(-1)) have been investigated. The influence of catalyst calcination temperature on the activity/selectivity has also been investigated. The surface properties (viz. surface area, basicity/base strength distribution) and catalytic activity/selectivity of the alkali metal doped CaO Catalysts are strongly influenced by the alkali metal promoter and its concentration in the alkali metal doped CaO catalysts. An addition of alkali Metal promoter to CaO results in a large decrease in the surface area but a large increase in the surface basicity (strong basic sites) and the C(2+) Selectivity and yield of the catalysts in the OCM process. The activity and selectivity are strongly influenced by the catalyst calcination temperature. No direct relationship between surface basicity and catalytic activity/selectivity has been observed. Among the alkali metal doped CaO catalysts. Na-CaO (Na/Ca = 0.1. before calcination) catalyst (calcined at 750 degrees C), showed best performance (C(2+) selectivity of 68.8\% with 24.7\% methane conversion), whereas (lie poorest performance was shown by the Rb-Cao Catalyst in the OCM process.
}, keywords = {alkali metal doped CaO catalysts, basicity/base strength distribution, catalytic activity/selectivity, oxidative coupling of methane}, issn = {1003-9953}, author = {Rane, V. H. and Chaudhari, Sopan T. and Choudhary, Vasant R.} } @article { ISI:000254901800024, title = {Influence of electronic factors on palladium-mediated cycloisomerization: a systematic investigation of competitive 5-exo-dig versus 6-endo-dig cyclizations of sugar alkynols}, journal = {Tetrahedron}, volume = {64}, number = {1}, year = {2008}, month = {JAN}, pages = {219-233}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Pd-mediated cycloisomerization of 3-C-alkynyl-allo- and ribofuranose derivatives was investigated in detail to understand the influence of electronic factors on the regioselectivity in ring closure reaction. The reactions in general are influenced by the electronic nature of the substituent on the alkyne unit. A preference for endo-dig cyclization over exo-dig is noted, if the alkynyl substituent is not sufficiently electron withdrawing, (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {C-alkynyl furanose, cycloisomerization, enol ether, Palladium, Spiroketal}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.10.072}, author = {Ramana, C. V. and Mallik, Rosy and Gonnade, Rajesh G.} } @article { ISI:000256116100044, title = {Influence of Pd doping on morphology and LPG response of SnO2}, journal = {Sensors and Actuators B-Chemical}, volume = {131}, number = {2}, year = {2008}, month = {MAY}, pages = {665-672}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
In the present study nanocrystalline pristine and Pd-doped SnO2 (Pd:SnO2) with various mol\% Pd have been synthesized by a modified Pechini citrate route. Transmission electron microscopy and X-ray powder diffraction studies were used to characterize the morphology, crystallinity, and structure of the SnO2 and Pd:SnO2. The response of the pristine SnO2 and Pd:SnO2 was studied towards different reducing gases. The 1.5 mol\% Pd doping showed an enhanced response of 75 and 95\% towards LPG at as low as 50 and 100 degrees C, respectively, which were quite large high value as compared with pristine SnO2 (38 and 35\% at 50 and 100 degrees C, respectively). Structural characterization revealed that Pd doping reduced the crystallite size of SnO2 and helps in the formation of distinct spherical nanospheres at a calcinations temperature of 500 degrees C. Thus the increase in LPG response can be correlated with the spherical morphology, a decrease in the crystallite size (11 nm) due to doping with Pd as compared with the pristine SnO2 (26 nm) and main role of Pd as a catalyst. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {LPG sensor, nanospheres, palladium doping, tin oxide}, issn = {0925-4005}, doi = {10.1016/j.snb.2007.12.055}, author = {Vaishampayan, Mukta V. and Deshmukh, Rupali G. and Mulla, Imtiaz S.} } @article { ISI:000255865500030, title = {Influence of pretreatment of agriculture residues on phytase production by aspergillus niger NCIM 563 under submerged fermentation conditions}, journal = {African Journal of Biotechnology}, volume = {7}, number = {8}, year = {2008}, month = {APR}, pages = {1101-1106}, publisher = {ACADEMIC JOURNALS}, type = {Article}, address = {P O BOX 5170-00200 NAIROBI, VICTORIA ISLAND, LAGOS 73023, NIGERIA}, abstract = {
The extracellular phytase production by Aspergillus niger NCIM 563 was evaluated in medium containing various agriculture residues under submerged fermentation conditions. Phytase production was affected by inorganic phosphate content of agriculture residues which ranged from 2.8 to 8 mg/g. The agriculture residues containing less than 4 mg/g inorganic phosphate supported phytase production with maximum activity of 68 IU/ml in medium containing 1\% rice bran on 11(th) day of fermentation. Addition of glucose up to 5\% in fermentation medium containing 1\% rice bran, enhanced phytase production. Pretreatment of agriculture residues with water to remove excess inorganic phosphate has significantly enhanced the phytase activity in case of de-oiled rice bran, wheat bran, peanut cake (low and high oil) and coconut cake. Maximum increase of 20.3 times in phytase activity was observed in case of wheat bran as compared to de-oiled rice bran, coconut cake, peanut cake high and low oil in which the increase in phytase activity was 6.85, 6.1, 5.3 and 3.0 times, respectively. Maximum phytase activity of 68 IU/ml was produced on the 11(th) day of fermentation compared to earlier reported 41.47 IU/ml phytase activity on the 15(th) day of submerged fermentation using 5\% dextrin and 2.5\% glucose, thus increasing productivity.
}, keywords = {Agriculture residue, Aspergillus niger, Phytase, phytate degradation, Poultry feed supplement, Submerged fermentation}, issn = {1684-5315}, author = {Bhavsar, Kavita P. and Shah, Parin and Soni, Sarvesh Kumar and Khire, Jayant Malhar} } @article { ISI:000258977500033, title = {Influence of synthesis conditions on structural properties of MCM-48}, journal = {Journal of Physics and Chemistry of Solids}, volume = {69}, number = {8}, year = {2008}, month = {AUG}, pages = {2075-2081}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The influence of synthesis variables such as time, cetyltrimethyl ammonium hydroxide (CTAOH) concentration, water content, pH, temperature and silica source on the structural properties of Si-MCM-48 is investigated. Time-dependent studies on the progressive development of MCM-48 have indicated that synthesis time is a crucial parameter, which influences the unit cell parameter. The formation of different mesophases was observed when the concentration of CTAOH and pH of the initial gel were varied. The Si-29 MASNMR results showed that the (Q(2) +W-3)/Q(4) ratio decreases with the increase in synthesis temperature. On account of increase in W units at high-temperature synthesis run, Si-MCM-48 with highly polymerized silica walls with lower surface area was obtained when compared with Si-MCM-48 prepared at lower temperature. Such effect was not significant when Si-MCM-48 was synthesized at the same temperature but using silica sol as a source in place of fumed silica. (c) 2008 Elsevier Ltd. All rights reserved.
}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2008.03.004}, author = {Taralkar, U. S. and Kasture, M. W. and Joshi, P. N.} } @article { ISI:000259845000014, title = {Inorganic-organic hybrid materials based on functionalized silica and carbon: a comprehensive understanding toward the structural property and catalytic activity difference over mesoporous silica and carbon supports}, journal = {Microporous and Mesoporous Materials}, volume = {115}, number = {3}, year = {2008}, month = {NOV}, pages = {345-355}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Inorganic-organic hybrid materials based on functionalized silica and carbon were synthesized by anchoring molybdovanadophosphoric acid (H-5[PMo10V2O40]center dot 32.5H(2)O) onto amine-functionalized SBA-15, ethane-bridged SBA-15 and mesoporous carbon, respectively. Small angle X-ray diffraction, N-2 sorption analysis, HRTEM, SEM, IFT-IR, CP-MAS NMR were used to diagnose the mesoporous structure of inorganic-organic hybrid materials. The structural integrity of molybdovanadophosphoric acid has been found to be retained after immobilization over mesoporous materials. These inorganic-organic hybrid materials were tested in the environmentally friendly oxidation of 2-methylnaphthalene (2MN) with 30\%, aqueous hydrogen peroxide. Molybdovanadophosphoric acid containing mesoporous organosilica hybrid material (ethane-bridged SBA-15) exhibited higher catalytic activities in the oxidation of 2MN to give a clean product 2-methy-1,4-naphthoquinone (menadione vitamin K3 precursor), because of the improved hydrophobicity of the material. The correlation between structural properties and catalytic activities of these hybrid materials has been well addressed in our present studies. (c) 2008 Elsevier Inc. All rights reserved.
}, keywords = {2-Methylnaphthalene, inorganic-organic hybrid materials, mesoporous carbon, mesoporous organosilica, Oxidation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.02.005}, author = {Bordoloi, Ankur and Mathew, Nevin T. and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000253515100019, title = {Inositol derived crown ethers: effect of auxiliary protecting groups and the relative orientation of crown ether oxygen atoms on their metal ion binding ability}, journal = {Tetrahedron}, volume = {64}, number = {9}, year = {2008}, month = {FEB}, pages = {2160-2171}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The binding constants of crown ethers prepared from tetra-O-substituted myo- and scyllo-inositol derivatives and 2-O-substituted myo- and scyllo-inositol-1,3,5-orthoformates, with metal picrates show that the O-substituents and the relative orientation of the crown ether oxygen atoms contribute significantly to the binding of crown ethers with metal ions. In particular, the binding efficiency of myo-inositol derived crown ethers to silver and potassium ions could be enhanced by introducing benzyl ethers in the inositol ring. Hence binding efficacy and selectivity of metal ions to inositol derived crown ethers can be tuned by varying substituents on the myo-inositol ring and/or the relative orientation of crown ether oxygen atoms. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {crown ether, Cyclitol, Inositol, ligand, metal complex, supramolecule}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.12.034}, author = {Dixit, Shailesh S. and Shashidhar, Mysore S.} } @article { ISI:000256743300032, title = {Insight into the micellization of dodecyldimethylethylammonium bromide (DDAB) in the presence of bovine serum albumin (BSA)}, journal = {Journal of Colloid and Interface Science}, volume = {323}, number = {2}, year = {2008}, month = {JUL}, pages = {426-434}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
in this work, we report the effect of concentration of bovine serum albumin (BSA) on the micellization of a cationic surfactant, doclecyldimethylethylammonium bromide (DDAB). Several samples covering a wide range of concentrations of protein and surfactant have been investigated. The interactions between the moieties are investigated by measuring fluorescence quenching of BSA molecules. The aggregation number of DDAB micelles is found to be small in the presence of BSA. The formation of DDAB-BSA complex is confirmed by FTIR. Absorbance spectroscopy indicates that at higher concentration, the conformational stability of BSA in DDAB is higher. The viscosity data for protein-surfactant systems confirm conformational changes in protein chains induced by the surfactant. The cmc values for DDAB increase with increasing concentration of BSA. At higher temperatures the micellization-complexation becomes enthalpy-dominated. (c) 2008 Elsevier Inc. All rights reserved.
}, keywords = {Aggregation number, BSA, conductivity, conformational stability, DDAB, FFIR, fluorescence, UV-visible, viscosity}, issn = {0021-9797}, doi = {10.1016/j.jcis.2008.04.026}, author = {Mehta, S. K. and Bhawna and Bhasin, K. K. and Kumar, Anil} } @article { ISI:000253700400019, title = {Integrated process for extraction and purification of alcohol dehydrogenase from Baker{\textquoteright}s yeast involving precipitation and aqueous two phase extraction}, journal = {Biochemical Engineering Journal}, volume = {38}, number = {3}, year = {2008}, month = {MAR}, pages = {414-420}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The potential of aqueous two phase extraction for the purification of alcohol dehydrogenase (ADH) from Baker{\textquoteright}s yeast (Saccharomyces cerevisiae) is demonstrated. An integrated process involving precipitation followed by aqueous two phase extraction (ATPE) is used for effective recovery of the enzyme. This is carried out in two schemes. In the first scheme, ammonium sulphate precipitation is carried out followed by ATPE of the precipitate after suspending it in buffer. While the second scheme involves polyethylene glycol precipitation followed by ATPE of the supernatant. The effect of various process parameters such as molecular weight of polymer, tie line length, phase volume ratio and neutral salt is investigated for enhancing the activity recovery of ADH. First scheme resulted in about 85\% enzyme activity recovery of ADH with purification factor of 4.2 while the second scheme about 90\% enzyme activity recovery with 6.6-fold purification. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Alcohol dehydrogenase, aqueous two phase extraction, enzyme extraction, Precipitation, Purification, Yeast}, issn = {1369-703X}, doi = {10.1016/j.bej.2007.08.007}, author = {Madhusudhan, M. C. and Raghavarao, K. S. M. S. and Nene, Sanjay} } @article { ISI:000260923000048, title = {Intramolecular Diels-Alder reaction in ionic liquids: effect of ion-specific solvent friction}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {22}, year = {2008}, month = {NOV}, pages = {9075-9083}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The present work aims at understanding the role of viscosity or solvent friction in ionic liquids for an intramolecular Diels-Alder (IMDA) reaction of (E)-1-phenyl-4-[2-(3-methyl-2-butenyloxy)benzylidene]-5-pyrazolone (1). The results have been analyzed on the basis of the current theoretical models, and their failure to account for the observed trends is discussed in terms of {\textquoteleft}{\textquoteleft}effective{\textquoteright}{\textquoteright} viscosity or microviscosity. The rates of the reaction decrease with the increasing viscosity of the ionic liquids. As evident from the anionic effect, the solute-solvent specific interactions play a role in governing the kinetics of the reaction. The lower viscosities of the bistrifluoromethanesulfonimide [NTf(2)](-) based ionic liquids as compared to those based on tetrafluoroborate [BF(4)](-) anion fail to result in a corresponding acceleration in the rates of the reaction. These contradictory results indicate that solvent microviscosity, rather than the bulk macroscopic viscosity, should be the criteria for selecting the ionic liquids as reaction media.
}, issn = {0022-3263}, doi = {10.1021/jo801802q}, author = {Tiwari, Shraeddha and Khupse, Nageshwar D. and Kumar, Anil} } @article { ISI:000260640600003, title = {Intrinsic viscosity of aqueous solutions of carboxymethyl guar in the presence and in the absence of salt}, journal = {Macromolecular Chemistry and Physics}, volume = {209}, number = {20}, year = {2008}, month = {OCT}, pages = {2087-2093}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Intrinsic viscosities were determined for solutions of CMG in pure water and 0.9 wt.-\% aqueous NaCl. To avoid the 0/0-type extrapolation typical for Huggins plots, a new procedure was used. For CMG and pure water, this requires only two adjustable parameters: the specific hydrodynamic volume of the polymer in the limit of infinite dilution and a hydrodynamic interaction parameter. The intrinsic viscosity of CMG (no salt) at room temperature is 6 050 mL . g(-1); approximately half as large as that of Na-PSS of comparable molar mass. The ratio of the intrinsic viscosities with and without salt is approximate to 7 for CMG, as compared to \>100 for Na-PSS. The reasons 1:5 5 for the different behaviors of the two types of polyelectrolytes are being discussed.
}, keywords = {Biopolymers, Carboxymethyl guar, intrinsic viscosity, polyelectrolyte, salt-free solutions}, issn = {1022-1352}, doi = {10.1002/macp.200800238}, author = {Badiger, Manohar V. and Gupta, Nivika R. and Eckelt, John and Wolf, Bernhard A.} } @article {43246, title = {Introduction to the density matrix renormalization group ansatz in quantum chemistry}, journal = {Frontiers in Quantum Systems in Chemistry and Physics}, volume = {18}, year = {2008}, month = {JAN}, pages = {49-65}, type = {Proceedings Paper}, abstract = {The Density Matrix Renormalisation Group (DMRG) is an electronic structure method that has recently been applied to ab-initio quantum chemistry. Even at this early stage, it has enabled the solution of many problems that would previously have been intractable with any other method, in particular, multireference problems with very large active spaces. Historically, the DMRG was not originally formulated from a wavefunction perspective, but rather in a Renormalisation Group (RG) language. However, it is now realised that a wavefunction view of the DMRG provides a more convenient, and in some cases more powerful, paradigm. Here we provide an expository introduction to the DMRG ansatz in the context of quantum chemistry.}, author = {Chan, Garnet Kin-Lic and Dorando, Jonathan J. and Ghosh, Debashree and Hachmann, Johannes and Neuscamman, Eric and Wang, Haitao and Yanai, Takeshi} } @article { ISI:000261262000024, title = {Invertase inhibition based electrochemical sensor for the detection of heavy metal ions in aqueous system: application of ultra-microlelectrode to enhance sucrose biosensor{\textquoteright}s sensitivity}, journal = {Biosensors \& Bioelectronics}, volume = {24}, number = {4}, year = {2008}, month = {DEC}, pages = {657-664}, publisher = {ELSEVIER ADVANCED TECHNOLOGY}, type = {Article}, address = {OXFORD FULFILLMENT CENTRE THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
We are reporting fabrication and characterization of electrochemical sucrose biosensor using ultra-microelectrode (UME) for the detection of heavy metal ions (Hg(II), Ag(I), Pb(II) and Cd(II)). The working UME, with 25 mu m diameter, was modified with invertase (INV, EC: 3.2.1.26) and glucose oxidase (GOD, EC: 1.1.3.4) entrapped in agarose-guar gum. The hydrophilic character of the agarose-guar gum composite matrix was checked by water contact angle measurement. The atomic force microscopy (AFM) images of the membranes showed proper confinement of both the enzymes during co-immobilization. The dynamic range for sucrose biosensor was achieved in the range of 1 x 10(-10) to 1 x 10(-7) M with lower detection limit 1 x 10(-10) M at pH 5.5 with 9 cycles of reuse. The spectrophotometric and electrochemical studies showed linear relationship between concentration of heavy metal ions and degree of inhibition of invertase. The toxicity sequence for invertase using both methods was observed as Hg(2+) \> Pb(2+) \> Ag(+) \> Cd(2+). The dynamic linear range for mercury using electrochemical biosensor was observed in the range of 5 x 10(-10) to 12.5 x 10(-10) M for sucrose. The lower detection limit for the fabricated biosensor was found to be 5 x 10(-10) M. The reliability of the electrochemical biosensor was conformed by testing the spike samples and the results were comparable with the conventional photometric DNSA method. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Co-immobilization, Electrochemical biosensor, Heavy metal ions, Invertase (INV)-glucose oxidase (GOD), Mercury, Ultra-microelectrode (UME)}, issn = {0956-5663}, doi = {10.1016/j.bios.2008.06.027}, author = {Bagal-Kestwal, Dipali and Karve, Meena S. and Kakade, Bhalchandra A. and Pillai, Vijayamohanan K.} } @article { ISI:000256649100007, title = {Ionic interactions in aqueous mixtures of hydrophilic and -phobic ions}, journal = {Pure and Applied Chemistry}, volume = {80}, number = {6}, year = {2008}, note = {30th International Conference on Solution Chemistry, Murdoch Univ, Perth, AUSTRALIA, JUL 16-20, 2007}, month = {JUN}, pages = {1267-1279}, publisher = {INT UNION PURE APPLIED CHEMISTRY}, type = {Article}, address = {104 TW ALEXANDER DR, PO BOX 13757, RES TRIANGLE PK, NC 27709-3757 USA}, abstract = {
Ions of both hydrophilic and -phobic nature play a pivotal role in biological systems and during synthesis of many organic molecules. However, the interaction of a hydrophilic ion with a hydrophobic one is not a simple physical process and is useful in understanding the rate enhancement in organic transformations and thermal stability of DNA and RNA. During the talk, an attempt was made to present some of the experimental work on aqueous mixtures of these ions carried out at National Chemical Laboratory, Pune, and give a theoretical interpretation of the binary, ternary, and quaternary interactions operating in these systems. The contribution of these interaction terms to the excess free energy of mixing, Delta(m)G(E), will be analyzed.
}, keywords = {aqueous solutions, excess free energy, hydrophobic ions, ionic solutions, mixing effects}, issn = {0033-4545}, doi = {10.1351/pac200880061267}, author = {Kumar, Anil} } @article { ISI:000255223800001, title = {Ionic liquids: physico-chemical, solvent properties and their applications in chemical processes}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {47}, number = {4}, year = {2008}, month = {APR}, pages = {495-503}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
A new class of compounds, called as ionic liquids, has recently emerged as potential substitute for volatile organic solvents. Ionic liquids possess certain special physico-chemical characteristics that render them very useful in different areas of research and development. In this review, the physico-chemical properties and the applications of ionic liquids in chemical processes are critically discussed and recommendations made for probing further the poorly understood aspect of this newly emerging class of compounds.
}, issn = {0376-4710}, author = {Singh, Geetanjali and Kumar, Anil} } @article { ISI:000253521600009, title = {Iron-nickel bimetallic nanoparticles for reductive degradation of azo dye orange G in aqueous solution}, journal = {Applied Catalysis B-Environmental}, volume = {79}, number = {3}, year = {2008}, month = {MAR}, pages = {270-278}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The degradation of Orange G, a monoazo dye, in aqueous solutions was investigated using Fe-Ni bimetallic nanoparticles. Transmission electron microscopy (TEM) of as-synthesized nanoparticles showed the presence of spherical particles having a size of 20-40 nm. X-ray photoelectron spectroscopy (XPS) did not detect the presence of nickel on the nanoparticle surface, which suggested a uniform distribution of both metals inside the particle core. Batch experiments with a minimum nanocatalyst loading of 3 g/L showed complete dye degradation after 10 min of reaction time. The degradation efficiency was linearly dependent on the initial dye concentration, pH of the solution and total Fe-Ni catalyst concentration. The efficiency increased with increasing Fe-Ni concentration and decreasing pH of the solution, but decreased with an increase in the dye concentration. The degradation rate followed first order reaction kinetics with respect to the dye concentration. High performance liquid chromatography-mass spectrometry (HPLC-MS) analysis of the degradation products revealed that the degradation mechanism proceeds through a reductive cleavage of the azo linkage resulting in the formation of aniline and surface-adsorbed naphthol amine derivatives. The latter are subsequently hydroxylated through an oxidative process. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Azo Dye, Degradation, iron, Nanoparticles, Nickel}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2007.10.033}, author = {Bokare, Alok D. and Chikate, Rajeev C. and Rode, Chandrashekhar V. and Paknikar, Kishore M.} } @article { ISI:000257961500018, title = {Isolation and heterologous expression of PHA synthesising genes from Bacillus thuringiensis R1}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {24}, number = {9}, year = {2008}, month = {SEP}, pages = {1769-1774}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The polyhydroxyalkanoate biosynthesis gene locus from Bacillus thuringiensis R1 was isolated, cloned and analyzed at the molecular level. We found that a similar to 5 kb SacI-ClaI digested fragment of genomic DNA from B. thuringiensis R1 encoding the PHA synthesising genes, conferred PHA producing ability to E. coli. The fragment was sequenced and found to be of 4787 bp with five open reading frames. Sequence alignment with closely related species of Bacillus in the existing database revealed that the ORFs correspond to phaP, phaQ, phaR, phaB and phaC genes. However, E. coli harboring phaP, phaQ, phaR, phaB and phaC locus produced very low PHA. Furthermore, complementation of the locus with phaA from Ralstonia eutropha increased the PHA production in the recombinant E. coli from 3.0\% to 24\% of cell dry mass. The putative promoter regions and ribosome binding sites were identified for each of the gene. Conserved domains for PHA synthase and aceto-acetyl-coA reductase were also identified. We hence conclude that the PHA operon of Bacillus thuringiensis R1 consists of phaP, phaQ, phaR, phaB, phaC and complementation of the same with phaA is accountable for its high PHA production.
}, keywords = {aceto-acetyl-coA reductase, Bacillus thuringiensis R1, PHA synthase, polyhydroxyalkanoate}, issn = {0959-3993}, doi = {10.1007/s11274-008-9669-7}, author = {Desetty, Rohini D. and Mahajan, Vineet S. and Khan, Bashir Mohammad and Rawal, Shuban K.} } @article { ISI:000254229100016, title = {Kinetic modeling of liquid phase autoxidation of cumene}, journal = {Chemical Engineering Journal}, volume = {137}, number = {2}, year = {2008}, month = {APR}, pages = {308-319}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A new kinetic model for the liquid phase autoxidation of cumene has been developed utilizing the existing knowledge about the traditional free-radical mechanism involving the initiation of the free-radicals, the chain propagation and transfer and the various modes of radical termination. Unlike previous work, in the re-organized reaction network an important cross-termination step replaces an often used but less likely one and a new derivation of the rate model has been provided. A base set of rate parameters for the elementary steps within this reaction network were chosen, many of them were same or very similar to those published in the literature, with a few critical ones re-estimated for correct match with directly observed kinetic data reported in the literature on cumene oxidation in bench scale reactors. Embedding this kinetic sub-model within a simple reaction engineering model for a single air-sparged continuous cumene oxidator, the liquid oxidate composition at the reactor exit could be predicted that compared closely with some limited published data from an industrial reactor. It is hoped that the kinetic model presented here would be a useful tool in the analysis and design of other autoxidation reactors as well with minor adaptations. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {air-sparged continuous oxidator, cumene oxidation, free-radical mechanism, kinetic model, liquid phase autoxidation}, issn = {1385-8947}, doi = {10.1016/j.cej.2007.04.043}, author = {Bhattacharya, Arijit} } @article { ISI:000255905400010, title = {Kinetics of PbCrO(4) nanorod growth by oriented attachment at the air-water interface}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {20}, year = {2008}, month = {MAY}, pages = {7557-7561}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Oriented attachment is a new way of crystal growth to transform preformed nanoparticles into hierarchical assemblies. Here, we demonstrate the use of liquid-liquid interfaces toward the formation of PbCrO(4) nanoparticles and their subsequent time-dependent self-assembly at the air-water interface into nanorods by oriented attachment. EDAX and XPS analysis indicate the formation of stoichiometric PbCrO(4). TEM studies at different stages of aging reveal that the transformation from nanoparticles to nanorods is kinetically governed. HRTEM analysis indicates nanorod growth along the [110] plane. UV-visible spectra reveal the presence of peaks at 425 and 515 nm for nanorods, while for the nanoparticle sample, a single peak at 425 urn is evident. As formation of ultrathin films over a large area (typically equal to or greater than 1 mu m x 1 mu m) concomitantly accompanies this approach, it can be extended to other materials as well for nanostructured device applications.
}, issn = {1932-7447}, doi = {10.1021/jp801577y}, author = {Hawaldar, Ranjit R. and Sathaye, Shivaram D. and Harle, Arti S. and Gholap, Ramkrishna S. and Patil, Kashinath R.} } @article { ISI:000254820000016, title = {La0.67Ce0.03Sr0.3MnO3-coupled microwave assisted ultra-fast synthesis of nanocrystalline cobalt oxide and Bismuth oxide}, journal = {Materials Letters}, volume = {62}, number = {10-11}, year = {2008}, month = {APR}, pages = {1511-1513}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Bismuth hydroxide and Cobalt hydroxide gels were freshly prepared by adding aqueous sodium hydroxide to their corresponding nitrates under basic conditions. Then they were oven dried at 373 K and found to be amorphous in X-ray diffraction (XRD) study. They crystallized into their respective oxides by microwave irradiation (2.45 GHz) in merely 2 min using La0.67Ce0.03Sr0.3MnO3 (LCSMO) as couplant in a microwave domestic oven (similar to 100 W). This is the lowest temperature treatment and synthesis time so far reported in the literature for the formation of these systems. Formation of nanocrystallites of Bi2O3 (10 nm) and Co3O4 (15 nm) has been confirmed by XRD. Normally these hydroxides produce oxides only on heating at temperature \>673 K or digesting them at 373 K for 4 - 6 hours as reported by us earlier. Microwave assisted heating proves to be a novel technology whose applications can be carefully harnessed due to its unique effects compared to the conventional heating, such as rapid volumetric heating, shortened reaction time and energy saving. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Citrate gel method, Manganites, Microwave, Oxides}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.09.013}, author = {Rajagopal, Rajashree and Mona, J. and Joshi, Rakesh S. and Kale, Sangeeta N. and Pradhan, Sivararn and Gaikwad, A. B. and Ravi, V.} } @article { ISI:000260803700002, title = {Lacunary Keggin type polyoxotungstates in conjunction with a phase transfer catalyst: an effective catalyst system for epoxidation of alkenes with aqueous H2O2}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {294}, number = {1-2}, year = {2008}, month = {OCT}, pages = {8-13}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Na-9[SbW9O33] in conjunction with a phase transfer catalyst (methyl tricapryl ammonium chloride) is a highly efficient catalytic system for the selective epoxidation of alkenes with aqueous H2O2 as the oxidant. Importantly, the reactions can be carried out in the absence of any organic solvents. The alkene epoxidation reactions with both, a transition metal ion substituted polyoxotungstate as well as a transition metal ion free polyoxotungstate precursor indicates that the tungstate group is the active center for the oxidation reaction. It was also observed that the transition metal ion does not play any significant role in the reaction. IR studies support the formation of tungsten-peroxo species and also show that the catalyst is stable in the presence of phase transfer catalyst when aqueous H2O2 is used as an oxidant. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {alkenes, Aqueous H2O2, epoxidation, Na-9[SbW9O33], Phase transfer catalyst, polyoxometalates}, issn = {1381-1169}, doi = {10.1016/j.molcata.2008.07.003}, author = {Ingle, Rohit H. and Raj, N. K. Kala} } @article { ISI:000254425200040, title = {Linear assembly of hexadecanethiol coated gold nanoparticles}, journal = {Chemical Physics Letters}, volume = {454}, number = {4-6}, year = {2008}, month = {MAR}, pages = {345-349}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
An interesting formation of linear assembly of hexadecanethiol coated gold nanoparticles is demonstrated. The nanoparticles used were synthesized in an organic medium and then were subjected to digestive ripening to finally yield monodisperse nanoparticles. A simple drop casting on TEM grid lead to the results observed. Based on the thermo gravimetric analysis, it is hypothesized that inclusion of the particles in Au(I)-thiolate template is mainly responsible for the formation of linear assembly. (c) 2008 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2008.02.053}, author = {Sidhaye, Deepti S. and Bhagavatula L. V. Prasad} } @article { ISI:000255130000001, title = {Lipase enzyme immobilization on synthetic beaded macroporous copolymers for kinetic resolution of chiral drugs intermediates}, journal = {Process Biochemistry}, volume = {43}, number = {4}, year = {2008}, month = {APR}, pages = {321-330}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Lipase isolated from Arthrobacter sp. (bacterial strain, MTCC No. 5125) at RRL Jammu, being used for various process development. Arthrobacter sp. lipase (ABL) now has been immobilized on synthetic polymers and reused many a times. In this investigation number of various synthetic macroporous alkylated glycidyl epoxy copolymers with varying hydrophobicity, pore volume and surface area were prepared and used for this study. Among all the polymers prepared and used only two epoxy polymers GMA-EGDM 75-20(I) and GMA-EGDM 75-30(I) with particle size in the range of 150-450 nm, epoxy groups 80 and 70\%, tertiary amino groups 20 and 30\% was found suitable for immobilization of lipase (ABL). Dibutyl amine (DBA) incorporation created an internal pore radii 20-50 nm and hydrophobic microenvironment in both the polymers for binding the enzyme, which led to improvement in stability and enatioselectivity in racemic resolution process especially by binding to one of the isomers. The optimal ABL binding capacity of polymer GMA-EGDM 75-20(I) was 60 units, 34 mg protein and GMA-EGDM 75-30(l) was 36 units, 21 mg protein/g polymer. The immobilized lipase matrices displayed enhanced pH, thermal, organic solvent and long-term storage stability. Both the immobilized enzyme matrices were tested firstly for the hydrolysis of triglycerides using tributyrin as substrate. After testing, both the matrices were reused for racemic resolution of ethyl-3-hydroxy-3-phenyl propanoate (fluoxetine intermediate, an antidepressant drug) and racemic chiral auxiliary, acetyl-1-phenyl ethanol (intermediate of many chiral drugs) for 15 cycles. These immobilized lipase matrices have shown very high stability on recycling, high-enantioselectivity, high conversion and faster recovery of product compare to free enzyme, therefore these matrices may find use in kinetic resolution process developments. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {1-phenyl ethanol and enantioselectivity, chiral resolution, enantiomeric excess (ee), ethyl-3-hydroxy-3-phenyl propanoate, Immobilization, Lipase}, issn = {1359-5113}, doi = {10.1016/j.procbio.2007.11.019}, author = {Bhushan, Indu and Parshad, Rajinder and Qazi, Gulam Nabi and Ingavle, Ganesh C. and Rajan, C. R. and Ponrathnam, Surendera and Gupta, Vijay Kumar} } @article { ISI:000254798300018, title = {Lipases catalyzed enantioselective hydrolysis of (R,S)-methyl 1,4-benzodioxan-2-carboxylate intermediate for (S)-doxazosin mesylate}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {24}, number = {4}, year = {2008}, month = {APR}, pages = {577-579}, publisher = {SPRINGER}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
(S)-1,4-benzodioxan-2-carboxylic acid-1 is used as starting compound for the production of the more effective (S) enantiomer of the drug doxazosin mesylate. The catalytic ability of some commercial lipases for preparations of (S) enantiomer of 1 from (+/-) methyl 1,4-benzodioxin-2-carboxylate-2 is reported. Lipases from bacterial sources were more successful in resolving the ester than those from the yeast lipases. About 85\% enantiomerically pure ester was achieved by lipase from alcaligenes sp.
}, keywords = {1, 4-benzodioxan-2-carboxylate, 4-benzodioxan-2-carboxylic acid, doxazosin, Enantioselectivity, Lipases}, issn = {0959-3993}, doi = {10.1007/s11274-007-9504-6}, author = {Varma, Rita and Kasture, Sangita M. and Nene, Sanjay and Kalkote, Uttam R.} } @article { ISI:000255706500009, title = {Liquid-phase synthesized mesoporous electrochemical supercapacitors of nickel hydroxide}, journal = {Electrochimica Acta}, volume = {53}, number = {15}, year = {2008}, month = {JUN}, pages = {5016-5021}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Electrochemical supercapacitive (ES) properties of liquid-phase synthesized mesoporous (pore size distribution centered similar to 12 nm) and of 120 m(2)/g surface area nickel hydroxide film electrodes onto tin-doped indium oxide substrate are discussed. The amounts of inner and outer charges are calculated to investigate the contribution of mesoporous structure on charge storage where relatively higher contribution of inner charge infers good ion diffusion into matrix of nickel hydroxide. Effect of different electrolytes, electrolyte concentrations, deposit mass and scan rates on the current-voltage profile in terms of the shape and enclosed area is investigated. Specific capacitance of similar to 85 F/g at a constant current density of 0.03 A/g is obtained from the discharge curve. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {electrochemical supercapacitors, mesoporous structure, nickel hydroxide}, issn = {0013-4686}, doi = {10.1016/j.electacta.2008.01.100}, author = {Chang, Jinho and Park, Mira and Ham, Dukho and Ogale, S. B. and Mane, Rajaram S. and Han, Sung-Hwan} } @article { ISI:000254543000039, title = {Local electronic structure and magnetic properties of LaMn(0.5)Co(0.5)O(3) studied by x-ray absorption and magnetic circular dichroism spectroscopy}, journal = {Physical Review B}, volume = {77}, number = {12}, year = {2008}, month = {MAR}, pages = {125124}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
We have studied the local electronic structure of LaMn(0.5)Co(0.5)O(3) using soft-x-ray absorption spectroscopy at the Co-L(3,2) and Mn-L(3,2) edges. We found a high-spin Co(2+)-Mn(4+) valence state for samples with the optimal Curie temperature. We discovered that samples with lower Curie temperatures contain low-spin nonmagnetic Co(3+) ions. Using soft-x-ray magnetic circular dichroism, we established that the Co(2+) and Mn(4+) ions are ferromagnetically aligned. We also revealed that the Co(2+) ions have a large orbital moment: morb/mspin approximate to 0.47. Together with model calculations, this suggests the presence of a large magnetocrystalline anisotropy in the material and predicts a nontrivial temperature dependence for the magnetic susceptibility.
}, issn = {1098-0121}, doi = {10.1103/PhysRevB.77.125124}, author = {Burnus, T. and Hu, Z. and Hsieh, H. H. and Joly, V. L. Joseph and Joy, Pattayil Alias and Haverkort, M. W. and Wu, Hua and Tanaka, A. and Lin, H. -J. and Chen, C. T. and Tjeng, L. H.} } @article { ISI:000257367100016, title = {Low temperature synthesis and characterization of BiNbO4 powders}, journal = {Materials Characterization}, volume = {59}, number = {8}, year = {2008}, month = {AUG}, pages = {1083-1087}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
BiNbO4 powders, a potential microwave dielectric ceramic were prepared by both coprecipitation and solid state techniques. In the former method, an aqueous ammonium hydroxide was used to precipitate Bi3+ and Ta5+ cations as hydroxides simultaneously under basic conditions. It is observed that the co-precipitation produces BiNbO4 phase on heating at 600 degrees C, whereas complete phase formation occurs only at 800 degrees C in the case of solid state method. The phase contents and lattice parameters were studied by powder X-ray diffraction. The sequence of the reaction and phase evolution of BiNbO4 were also studied by the X-ray diffraction. The samples were characterized by the differential-thermal/thermo-gravimetric analyses and scanning electron microscopy techniques. (C) 2007 Elsevier Inc. All rights reserved.
}, keywords = {BiNbO4, Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {1044-5803}, doi = {10.1016/j.matchar.2007.08.026}, author = {Radha, R. and Muthurajan, H. and Rao, N. Koteswara and Pradhan, Sivaram and Gupta, U. N. and Jha, Ratnesh Kumar and Mirji, S. A. and Ravi, V.} } @article { ISI:000261361900032, title = {Low temperature synthesis of nanocrystalline lithium ferrite by a modified citrate gel precursor method}, journal = {Materials Research Bulletin}, volume = {43}, number = {12}, year = {2008}, month = {DEC}, pages = {3447-3456}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Single phase nanocrystalline lithium ferrite is synthesized by a modified citrate gel precursor technique. Ferrite nanoparticles of average size of 8 nm, obtained after calcination of the citrate gel Made by the usual method at 450 degrees C, show superparamagnetic behavior. However, small amounts of alpha-Fe(2)O(3) is formed as an impurity phase clue to the initial formation of some gamma-Fe(2)O(3) phase. Oil the other hand, when the pH of the mixed Solution is increased to 7 after the addition of ammonia Solution, a lower calcination temperature of 200 degrees C is sufficient for the formation of single phase lithium ferrite nanoparticles of size 30 nm. No impurity phases are detected when the nanocrystalline powders arc calcined at higher temperatures. The magnetic properties of the ferrite nanoparticles of different sizes obtained by calcining the powders at different temperatures are studied. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Chemical synthesis, Magnetic materials, magnetic properties, Nanostructures, Oxides}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2008.01.023}, author = {Verma, Seema and Joy, Pattayil Alias} } @article { ISI:000253106100026, title = {Low temperature synthesis of SrNb2O6 and SrTa2O6 using hydroxide precursor}, journal = {Materials Letters}, volume = {62}, number = {6-7}, year = {2008}, month = {MAR}, pages = {892-894}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
SrNb2O6 (SN) or SrTA(2)O(6) (ST) compounds were prepared at low temperatures for the first time from hydroxide precursors. A simple procedure of mixing commercially purchased strontium hydroxide and niobium (or tantalum) hydroxide thoroughly together and heating at a low temperature (\<400 degrees C) produced SrNb2O6 (SN) or SrTa2O6 (ST) powders. This is the lowest temperature so far reported for the formation of these phases. These materials are potential candidates for ferroelectric and electro-optic applications. The reaction sequence and evolution of the phase formation were investigated by X-ray diffraction (XRD) studies. The average particle size and morphology of these powders were studied by scanning electron microscopy (SEM). (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Chemical synthesis, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.07.006}, author = {Muthurajan, H. and Kumar, H. H. and Koteswara Rao, N. and Pradhan, Sivaram and Jha, Ratnesh Kumar and Ravi, V.} } @article { ISI:000258195800007, title = {Low temperature synthesis of ZnSe nanoparticles}, journal = {Materials Letters}, volume = {62}, number = {23}, year = {2008}, month = {AUG}, pages = {3803-3805}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Synthesis of thioglycerol capped zinc selenide nanoparticles with a relatively narrow size distribution by a simple and inexpensive low temperature (similar to 80 degrees C) wet chemical method is reported here. Main advantage of this method is the use of non-toxic precursors. The size of the nanoparticles can be varied easily by changing the concentration of the capping agent. The extracted nanoparticles remain stable under normal atmospheric conditions and can be redispersed in suitable solvents. The sharp absorption features obtained in the UV-Visible absorption spectra reveal the formation of monodispersed ZnSe nanoparticles. The nanoparticles were characterized using X-ray photoelectron spectroscopy, X-ray diffraction, UV-Visible absorption spectroscopy, photoluminescence and transmission electron microscopy. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Luminescence, Nanomaterials, Semiconductor, X-ray techniques}, issn = {0167-577X}, doi = {10.1016/j.matlet.2008.04.082}, author = {Deshpande, Aparna and Singh, Shashi B. and Abyaneh, Majid Kazemian and Pasricha, Renu and Kulkarni, S. K.} } @article { ISI:000261061100016, title = {Magnetic and Mossbauer spectroscopic studies of NiZn ferrite nanoparticles synthesized by a combustion method}, journal = {Hyperfine Interactions}, volume = {183}, number = {1-3}, year = {2008}, month = {APR}, pages = {99-107}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The properties of nanocrystalline Ni(0.5)Zn(0.5)Fe(2)O(4) synthesized by an auto-combustion method have been investigated by magnetic measurements and Mossbauer spectroscopy. The as-synthesized single phase nanosized ferrite powder is annealed at different temperatures in the range 673-1,273 K to obtain nanoparticles of different sizes. The powders are characterized by powder X-ray diffraction, vibrating sample magnetometer, transmission electron microscopy and Mossbauer spectroscopy. The as-synthesized powder with average particle size of similar to 9 nm is superparamagnetic. Magnetic transition temperature increases up to 665 K for the nanosized powder as compared to the transition temperature of 548 K for the bulk ferrite. This has been confirmed as due to the abnormal cation distribution, as evidenced from room temperature Mossbauer spectroscopic studies.
}, keywords = {Ferrite, magnetic properties, Mossbauer spectroscopy, Nanoparticles}, issn = {0304-3843}, doi = {10.1007/s10751-008-9736-3}, author = {Sreeja, V. and Vijayanand, S. and Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000259602400109, title = {Manufacturing of tinidazole by recovering and recycling catalyst}, journal = {Asian Journal of Chemistry}, volume = {20}, number = {4}, year = {2008}, month = {APR}, pages = {3289-3291}, publisher = {ASIAN JOURNAL OF CHEMISTRY}, address = {11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIA}, abstract = {
In this paper, the recycle process of tungstic acid by recovering it from waste during the manufacture of tinidazole is described. The recovered tungstic acid gives desired quality and quantity of tinidazole.
}, keywords = {Recovery, tinidazole, tungstic acid}, issn = {0970-7077}, author = {Dongare, Mohan K. and Chandorkar, J. G. and Rode, C. V.} } @article { ISI:000256920000046, title = {MCM-41-supported organometallic-derived nanopalladium as a selective hydrogenation catalyst}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {25}, year = {2008}, month = {JUN}, pages = {9428-9433}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Palladium nanocatalysts have been prepared by anchoring (eta(3)-C(3)H(5))(2)Pd(2)Cl(2) onto dian-tine-functionalized MCM-41 supports followed by reaction with hydrogen under catalytic conditions. The catalyst precursor and used catalyst have been studied by solid-state NMR ((13)C, (29)Si), XPS, and TEM. The organometallic-derived catalyst exhibits the best performance (activity and selectivity) to date toward the selective hydrogenation of industrially relevant o- and m-chloronitrobenzene to the corresponding chloroaniline derivatives and is distinctly superior to 5\% Pd/C. Grazing angle XPS studies reveal that conversion of the tethered molecular species to the nanoparticles of palladium produces a core-shell nanostructure.
}, issn = {1932-7447}, doi = {10.1021/jp8007656}, author = {Maity, Niladri and Rajamohanan, Pattuparambil R. and Ganapathy, Subramanian and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000257904900015, title = {MCM-41-supported ruthenium carbonyl cluster-derived catalysts for asymmetric hydrogenation reactions}, journal = {Applied Catalysis A-General}, volume = {344}, number = {1-2}, year = {2008}, month = {JUL}, pages = {124-130}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{The anionic ruthenium carbonyl cluster [Ru-4(mu-H)(3)(CO)(12)](-) has been ion-paired with (3-chloropropyl)-trimethoxysilyl-cinchonidium or sparteinium groups chemically bound to the surfaces of MCM-41 [(MCM-41-)(-O)(3)SiCH2CH2CH2NR3+Cl-
}, keywords = {asymmetric catalysis, functionalized MCM-41, hydrogenation catalysts, nanocatalyst, ruthenium carbonyl cluster}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.04.009}, author = {Indra, Arindam and Basu, Susmit and Kulkarni, Dhanashree G. and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000254833600003, title = {Media optimization for the production of cephalosporin C acylase from a novel bacterial source: alcaligenes xylosoxidans MTCC*491}, journal = {Research Journal of Biotechnology}, volume = {3}, number = {1}, year = {2008}, month = {FEB}, pages = {16-21}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {
The Gram-negative bacterium Alcaligenes xylosoxidans MTCC *491 has been studied for the production of cephalosporin C acylase (CCA), a pharmaceutically important enzyme. The enzyme hydrolyses cephalosporin C (CPC), a natural product, to 7-aminocephalosporanic acid, a key intermediate in the production of semisynthetic cephalosporin antibiotics. Effect of medium, pH, temperature, carbon source, nitrogen source and incubation time, on the production of CCA was studied. 7.7 IU/ml activity was obtained when Luria Bertani broth (LB) was used as a fermentation medium. Glucose and galactose increased the enzyme activity by 9 \% and 22 \%, while all the nitrogen sources tested showed a repressive effect. Maximum CCA activity was observed around the 5(th) day of incubation indicating potential role of CCA in secondary metabolism. pH 8.0 and 40 degrees C were found to be the optimum conditions for acylase activity.
}, keywords = {alcaligenes xylosoxidans MTCC*491, cephalosporin C (CPC), cephalosporin C acylase (CCA), fermentation carbon source, nitrogen source}, issn = {0973-6263}, author = {Nupura, Hirve and Asmita, Tingare and Sharat, B. and Asmita, Prabhune} } @article { ISI:000251870400005, title = {Microwave assisted low temperature rapid synthesis of manganite system using La0.67Ce0.03Sr0.3MnO3 mini-cavity furnace}, journal = {Materials Letters}, volume = {62}, number = {2}, year = {2008}, month = {JAN}, pages = {191-193}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Amorphous La0.7Sr0.3MnO3 (LSMO) and La0.7Ca0.3MnO3 (LCMO) precursor powders synthesized by the citrate gel method at 673 K, have been found to crystallize by microwave irradiation in just 60 s using La0.67Ce0.03Sr0.3MnO3 (Ce-LSMO) as couplant. This is the lowest temperature treatment and synthesis time so far reported in literature for the fort-nation of manganite systems. Using ceramic route, the same amorphous samples crystallize on heat treatment only at temperatures greater than 1000 K. The microwave heating through this method is novel and has tremendous potential for accelerating the evolution of the product phase in very shorter durations, with just low temperature processing of the precursors, which cannot be realized in normal process. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Citrate gel method, LSMO, Manganites, Microwave, Oxides}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.05.002}, author = {Kale, Sangeeta N. and Rajagopal, Rajashree and Mona, J. and Londhe, D. P. and Joshi, Rakesh S. and Jagadale, Tushar C. and Satyanarayana, C. and Ravi, V.} } @article { ISI:000256931600006, title = {Microwave studies on synthesis of biologically active chalcone derivatives}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {47}, number = {6}, year = {2008}, month = {JUN}, pages = {927-931}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
Synthesis of pyrazole derivative using microwave energy has been carried out. The compound 1-[4-(2-hydroxy-ethoxy)-phenyl]-ethanone, is prepared from p-hydroxy-acetophenone and 2-chloro-ethanol. Chalcone derivative has been prepared by the condensation reaction of 1-[4-(2-hydroxy-ethoxy)-phenyl]- ethanone with 4-chlorobenzaldehyde. This chalcone. derivative cyclised with hydrazine hydrate and glacial acetic acid under microwave irradiation conditions give pyrazole derivative. These products have been characterized by detailed spectral analysis and have been screened for their antimicrobial activity, against Escherichia coli, Proteus vulgaris, and Salmonella typhimurium.
}, keywords = {Antimicrobial activity, chalcones, Pyrazole}, issn = {0376-4699}, author = {Katade, Sushama and Phalgune, Usha and Biswas, Sujata and Wakharkar, Radhika and Deshpande, Nirmala} } @article { ISI:000254672800002, title = {Modeling of a fluidized bed propylene polymerization reactor operated in condensed mode}, journal = {Journal of Applied Polymer Science}, volume = {108}, number = {4}, year = {2008}, month = {MAY}, pages = {2067-2076}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The gas-phase polymerization of propylene is one of the most widely accepted and commercially used processes for the manufacture of polypropylene (PP). Because of the highly exothermic nature of polymerization reactions, temperature runaway and subsequent polymer melting and agglomeration may occur, and the reactor has to be operated in a small operating window for safety. The addition of liquid monomer for heat removal (condensed mode) broadens the operating window and can substantially increase (by 50-100\%) the capacity of given reactor hardware. This article describes the extension of a comprehensive mathematical model for the simulation of fluidized bed PP reactors to include the condensed mode of operations. The model is used to determine the influence of the operating parameters on the polymer properties and particle size distribution. The model is also used to determine the effects of two active sites and the reaction kinetics on macroscopic variables. The developed framework is useful for simulating multimonomer, multisite Ziegler-Natta-type olefin fluidized bed polymerization reactors operated under condensed mode. (C) 2008 Wiley Periodicals, Inc. J Appl Polym Sci 108: 2067-2076, 2008.
}, keywords = {Modeling, Polyolefins, Ziegler-Natta polymerization}, issn = {0021-8995}, doi = {10.1002/app.27748}, author = {Utikar, Ranjeet P. and Harshe, Yogesh M. and Mehra, Anurag and Ranade, Vivek V.} } @article { ISI:000261711400041, title = {Molecular association via halogen bonding and other weak interactions in the crystal structures of 11-bromo-12-oxo-5 beta-cholan derivatives}, journal = {Journal of Molecular Structure}, volume = {892}, number = {1-3}, year = {2008}, month = {DEC}, pages = {246-253}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Methyl 3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 2, methyl 11 alpha-bromo-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 3, methyl 11 beta-bromo-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 4 and methyl 11,11-dibromo-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 5 were synthesized. The crystal structures of these molecules were resolved to study the effect of bulky bromine atom in the steroid skeleton of cholic acid with different stereo-chemical orientations at C-11 on the two-dimensional arrangement of molecules and solid-state properties. All the molecules associate only via weak intermolecular interactions in their crystal structures, notable one being the Halogen Bonded assembly (C-Br center dot center dot center dot O) in 5. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {11-Bromosteroids, Cholic acid, crystal structure, Halogen bonding}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2008.05.051}, author = {Salunke, Deepak B. and Hazra, Braja G. and Gonnade, Rajesh G. and Pore, Vandana S. and Bhadbhade, Mohan M.} } @article { ISI:000261582300006, title = {Molecular dynamics of copolyester/clay nanocomposites as investigated by viscoelastic and dielectric analysis}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {46}, number = {23}, year = {2008}, month = {DEC}, pages = {2539-2555}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
We have investigated the molecular dynamics of poly(ethylene glycol-co-cycloxeane-1,4-dimethanol terephthalate) (PETG) nanocomposites based on a organically modified layered silicate. Intercalated namocomposites were prepared by melt compounding technique as evidenced from the X-ray diffraction and transmission electron microscopy studies. Two relaxation processes were observed in pure PETG as well as in the nanocomposites. The low-temperature beta-process was assigned to the local motions of C=O polar groups and the alpha-process was due to the glass-rubber transition or the segmental relaxations associated with the polymer chain backbone. Presence of layered silicates accelerated alpha-relaxation dynamics in the nanocomposites accompanied by a depression in T(g) which was attributed to the reduced intermolecular cooperativity between intercalated polymers chains. Additionally, a direct comparison between the viscoelastic and dielectric studies shows excellent agreement between the accelerated alpha dynamics of the nanocomposites. (C) 2008 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 46: 2539-2555, 2008
}, keywords = {clay, Dielectric relaxation, Nanocomposites, polyesters}, issn = {0887-6266}, doi = {10.1002/polb.21603}, author = {Kalgaonkar, Rajendra A. and Jog, Jyoti Prakash} } @article { ISI:000256601200022, title = {Molecular genetic mapping of quantitative trait loci associated with loaf volume in hexaploid wheat (Triticum aestivum)}, journal = {Journal of Cereal Science}, volume = {47}, number = {3}, year = {2008}, month = {MAY}, pages = {587-598}, publisher = {ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD}, type = {Article}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {
Major efforts in wheat research are being made to improve the yield and quality of wheat. Loaf volume (Lv) is the main quality parameter deciding the bread making potential of wheat. To genetically dissect quantitative trait loci (QTLs) for Lv, a Recombinant Inbred Line (RIL) population (F-8) was developed from a cross between two Indian wheat varieties {\textquoteleft}{\textquoteleft}H 1977{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}HD 2329{\textquoteright}{\textquoteright}. A total of 914 SSR and 100 ISSR primers were used for molecular analysis and the genetic map comprising 19 chromosomes was constructed with 202 SSR markers and 2 HMW glutenin subunit loci: Glu-B1 and Glu-B1. The phenotypic data were collected from six environments including three different agro-climatic zones for 2 consecutive years. Dissection of Lv through AMMI model revealed significant G x E variance for the trait. QTL analysis was performed using composite interval mapping. A total of 30 QTLs for Lv were detected and significant QTLs were identified on 6B and 6D chromosomes; 1B, 1D, 2A, 3A, 513 and 5D also contributed genetically to Lv. Association between 6B and 6D QTLs and variable expression of gliadins on group 6 chromosomes were discussed. QTLs detected in this study were compared with other QTL analysis in wheat. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {breadmaking, loaf volume, QTL, SSR, wheat quality}, issn = {0733-5210}, doi = {10.1016/j.jcs.2007.07.003}, author = {Elangovan, M. and Rai, R. and Dholakia, Bhushan B. and Lagu, Meena D. and Tiwari, R. and Gupta, R. K. and Rao, V. S. and Roeder, M. S. and Gupta, V. S.} } @article { ISI:000256043100031, title = {Molecules to supermolecules and self assembly: a study of some cocrystals of cyanuric acid}, journal = {Tetrahedron Letters}, volume = {49}, number = {22}, year = {2008}, month = {MAY}, pages = {3666-3671}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The preparation and structure elucidation of cocrystals 1a, 1b, 2a- 4a, formed from cyanuric acid (CA) and the aza-donor compounds 4,7-phenanthroline, 1,7-phenanthroline, phenazine and 1, 3 -bis(4-pyridyl) propane, respectively, have been reported. While CA forms different types of self-assembling modes-monomers (la), dimers (1b and 4a) and infinite tapes (2a and 3a)-the recognition of the constituents, however, is through a triple hydrogen-bonding pattern, consisting of an N-H center dot center dot center dot N and two C-H center dot center dot center dot O hydrogen bonds, except in 4a. (C) 2008 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.03.143}, author = {Marivel, S. and Suresh, E. and Pedireddi, V. R.} } @article { ISI:000260431100004, title = {Monte carlo simulations of chain dimensions and conformational properties of various poly(n-alkyl methacrylates) in solution}, journal = {Journal of Macromolecular Science Part B-Physics}, volume = {47}, number = {6}, year = {2008}, month = {OCT}, pages = {1075-1086}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Rotational Isomeric State (RIS) Metropolis Monte Carlo (RMMC) simulations of the conformational properties and chain dimensions of a series of chemically different poly(n-alkyl methacrylates) including poly(methyl methacrylate), poly(n-butyl methacrylate), poly(n-hexyl methacrylate), and poly(phenyl methacrylate), in the theta state were investigated, and (r(2)/M)(1/2), (s(2)/M)(1/2) and C(n) were calculated and compared in order to obtain fundamental understanding of the influence of the chemical structure. Simulations were conducted for different molecular weights. Results obtained from the simulations are compared with experimentally obtained dimensions in the literature using the Mark-Houwink relationship as well as, in some cases, data available from direct determinations in theta solvents. Good agreement between simulation and experimental data was obtained. The backbone conformation is predominantly trans in these polymers. Increase in bulkiness and rigidity of the substituting acrylate side group results in an increase in trans and a decrease in gauche backbone conformer population. In the case of rotatable bonds in the side-group structure, increase in rigidity of the side group leads to a decrease in the trans population, although this effect is not uniformly observed.
}, keywords = {chain dimensions, Monte Carlo simulation, polymethacrylate, theta solvent}, issn = {0022-2348}, doi = {10.1080/00222340802266397}, author = {Karyappa, Rahul B. and Natarajan, Upendra} } @article { ISI:000253115600026, title = {Morphological study of heavy metal complexes of chitosan and crosslinked chitosans by SEM and WAXRD}, journal = {Carbohydrate Polymers}, volume = {71}, number = {4}, year = {2008}, month = {MAR}, pages = {698-702}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Metal complexes of salts of Hg, Cu, Cd, Pb, Zn, and Mn with chitosan and crosslinked chitosans were prepared, and their morphologies were studied using scanning electron microscopy and wide angle X-ray diffraction. The metal ions which were specifically and strongly complexed to the amino functions of chitosans, like Hg, showed smooth surface morphology inspite of large number of ions complexed (372 mg/g of chitosan). The presence of metal ions on the surface of the chitosans could be detected with decrease in metal ion binding, in the following sequence Hg \> Cu \> Cd \> Zn \> Pb \> Mn. Particularly in the case of Pb ions, the presence of these ions is clearly seen on the surface of the polymer by SEM. The number of ions of Mn complexed on the polymers was too few (5 mg/g of chitosan) to be visible. SEM of Hg and Cu complexes do not show the {\textquoteleft}{\textquoteleft}holes{\textquoteright}{\textquoteright} observed in the crosslinked polymers as they bind specifically to amino groups of chitosan, but for Cd, Zn, Mn, and Pb complexes, these {\textquoteleft}{\textquoteleft}holes{\textquoteright}{\textquoteright} are clearly visible. These results are also in agreement with the morphologies studied by WAXRD. The metal complexation data for each of these metal ions was also in the same sequence. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Chitosan, Crosslinked chitosan, metal complex, Morphology, SEM, WAXRD}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2007.07.010}, author = {Trimukhe, K. D. and Varma, Anjanikumar} } @article { ISI:000258965100011, title = {Mossbauer spectroscopic investigations of nanophase iron oxides synthesized by thermal plasma route}, journal = {Materials Characterization}, volume = {59}, number = {9}, year = {2008}, month = {SEP}, pages = {1215-1220}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Magnetic nanoparticles of iron oxide were synthesized by transferred arc plasma induced gas phase condensation method. Structural, morphological and magnetic studies of the as synthesized powder were carried out using X-ray diffraction, transmission electron microscopy and Mossbauer spectroscopy. These studies have revealed the simultaneous nucleation and condensation of different magnetic phases with a broad size distribution of the nanoparticles which is peaked at 30-50 nm and ranges from 10 nm to 80 nm. 57 Fe Mossbauer spectra recorded at various temperatures (5 K-300 K) in presence of external magnetic field (at 5 K) have suggested the presence of different phases of iron oxide with sizable amounts of gamma-Fe2O3 and alpha-Fe2O3 in addition to Fe3O4. The relative concentrations of these phases have been obtained by a self consistent spectral area analysis and were found to be 44:22:34 (\%). (C) 2007 Elsevier Inc. All rights reserved.
}, keywords = {iron oxides, Mossbauer spectroscopy, phase analysis, plasma synthesis}, issn = {1044-5803}, doi = {10.1016/j.matchar.2007.10.003}, author = {Nagar, Harshada and Kulkarni, Naveen V. and Karmakar, Soumen and Sahoo, B. and Banerjee, Indrani and Chaudhari, P. S. and Pasricha, R. and Das, A. K. and Bhoraskar, S. V. and Date, Sadgopal K. and Keune, W.} } @article { ISI:000251070500021, title = {Multicanonical jump walk annealing assisted by tabu for dynamic optimization of chemical engineering processes}, journal = {European Journal of Operational Research}, volume = {185}, number = {3}, year = {2008}, month = {MAR}, pages = {1213-1229}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A hybrid methodology, viz., multicanonical jump walk annealing assisted by tabu list (MJWAT) is proposed for solving dynamic optimization problems in chemically reacting systems. This method combines the power of multicanonical sampling with the beneficial features of simulated annealing. Incorporating tabu list further enhances the efficiency of the method. The superior performance of the MJWAT is highlighted with the help of five benchmark case studies. (C) 2006 Elsevier B.V. All rights reserved.
}, keywords = {dynamic optimization, metaheuristics, Monte Carlo simulations, multicanonical algorithms, simulated annealing, tabu conditions}, issn = {0377-2217}, doi = {10.1016/j.ejor.2006.06.049}, author = {Shelokar, P. S. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000259104700034, title = {Multi-component carbon-carbon bond forming Mannich reaction catalyzed by yttria-zirconia based Lewis acid}, journal = {Catalysis Communications}, volume = {9}, number = {14}, year = {2008}, month = {AUG}, pages = {2445-2448}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A direct three component Mannich-type reaction of aldehyde, amine, and ketone (without silyl enolates) were efficiently catalyzed by yttria-zirconia based strong Lewis acid in aqueous acetonitrile. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {beta-amino carbonyls, Mannich reaction, multi-component reaction, yttria-zirconia based Lewis acid}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.06.011}, author = {Ramalingam, S. and Kumar, Pradeep} } @article {43320, title = {Multiple weak supramolecular interactions stabilize a surprisingly twisted As2L3 assembly}, journal = {Chemical Communications}, year = {2008}, month = {OCT}, pages = {3936 - 3938}, abstract = {A combined crystallographic, DFT and NMR spectroscopic study of a flexible As(2)(3) assembly reveals temperature dependent conformational behavior in solution and a highly asymmetric structure stabilized by As-pi and edge-to-face aromatic interactions.}, doi = {10.1039/b806958a}, author = {Pitt, Melanie A. and Zakharov, Lev N. and Vanka, Kumar and Thompson, Ward H. and Laird, Brian B. and Johnson, Darren W.} } @article {43318, title = {Multipoint anchoring of the [2.2.2.2]metacyclophane motif to a gold surface via self-assembly: coordination chemistry of a cyclic tetraisocyanide revisited}, journal = {Inorganic Chemistry}, volume = {47}, year = {2008}, month = {MAY}, pages = {3284-91}, abstract = {A one-pot transformation of bis(2-isocyano-3-methylphenyl)ethane affords gram quantities of 8,16,24,32-tetraisocyano[2.2.2.2]metacyclophane ( 3). The solid state structure of 3 is remarkably close to the lowest energy conformation found on the potential energy landscape for 3 by DFT. In solution, the structure of metacyclophane 3 is mobile but can be locked in a rectangular gauche- anti- gauche- anti conformation by coordination of the isocyanide substituents to the [W(CO) 5] units to give [M] 4(mu 4-eta (1):eta (1):eta (1):eta (1)- 3) ( 5). The tetranuclear [M] 4(mu 4-eta (1):eta (1):eta (1):eta (1)- 3) motif featured in crystallographically characterized 5 may be present in several insoluble complexes of 3 previously described as mononuclear eta (4) species. A self-assembled monolayer of metacyclophane 3 is formed upon exposing a solution of 3 to the gold(111) surface with no precautions to exclude air or light. The monolayer nature of the film was confirmed by optical ellipsometry. The isocyanide stretching band for 3 shifts from 2119 cm (-1) in solution to 2175 cm (-1) upon chemisorption to metallic gold. The FTIR spectrum of the film indicates interaction of 3 with the gold surface via all four of its isocyanide anchors. No gold-facilitated oxidation of the -NC junctions was detected under ambient conditions. The energy cost associated with accessing the conformations of 3 suitable for mu 4-eta (1):eta (1):eta (1):eta (1) interaction of the molecule with the Au(111) surface is under 8 kcal/mol, a value that can be easily offset by formation of a gold-isocyanide bond. Two different mu 4-eta (1):eta (1):eta (1):eta (1) coordination arrangements of 3 with respect to gold atoms on the (111) face of the fcc Au lattice are suggested.}, doi = {10.1021/ic702401b}, author = {Toriyama, Masaharu and Maher, Tiffany R. and Holovics, Thomas C. and Vanka, Kumar and Day, Victor W. and Berrie, Cindy L. and Thompson, Ward H. and Barybin, Mikhail V.} } @article { ISI:000260397500006, title = {NaIO4-KI-NaN3 as a new reagent system for C-H functionalization in hydrocarbons}, journal = {Tetrahedron Letters}, volume = {49}, number = {45}, year = {2008}, month = {NOV}, pages = {6401-6403}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The NaIO4-KI-NaN3 combination has been found to be an efficient, reliable, and inexpensive reagent system for mono- and 1,2-difunctionalization of hydrocarbons via C-H bond activation to afford vicinal azido- and acetoxy iodinations of cyclic hydrocarbons. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {azides, C-H activation, Iodination, NaIO4}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.08.071}, author = {Chouthaiwale, Pandurang V. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000260944500007, title = {Nano-gold supported on Fe2O3: a highly active catalyst for low temperature oxidative destruction of methane green house gas from exhaust/waste gases}, journal = {Applied Catalysis A-General}, volume = {350}, number = {2}, year = {2008}, month = {NOV}, pages = {186-190}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A number of nano-gold catalysts were prepared by depositing gold on different metal oxides (viz. Fe2O3, Al2O3, Co3O4, MnO2, CeO2, MgO, Ga2O3 and TiO2), using the homogeneous deposition precipitation (HDP) technique. The catalysts were evaluated for their performance in the combustion of methane (1 mol\% in air) at different temperatures (300-600 degrees C) for a GHSV of 51,000 h(-1). The supported nano-gold catalysts have been characterized for their gold loading (by ICP) and gold particle size (by TEM/HRTEM or XRD peak broadening). Among these nano-gold catalysts, the Au/Fe2O3 (Au loading = 6.1\% and Au particle size = 8.5 nm) showed excellent performance. For this catalyst, temperature required for half the methane combustion was 387 degrees C, which is lower than that required for Pd(1\%)/Al2O3 (400 degrees C) and Pt(1\%)/Al2O3 (500 degrees C) under identical conditions. A detailed investigation on the influence of space velocity (GHSV = 10,000-100,000 cm(3) g(-1) h(-1)) at different temperatures (200-600 degrees C) on the oxidative destruction of methane over the Au/Fe2O3 catalyst has also been carried out. The Au/Fe2O3 catalyst prepared by the HDP method showed much higher methane combustion activity than that prepared by the conventional deposition precipitation (DP) method. The XPS analysis showed the presence of Au in the different oxidation states (Au-0, Au1+ and Au3+) in the catalyst. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Au/Fe2O3, Deposition precipitation, Homogeneous deposition precipitation, Methane combustion, Supported nano-gold catalysts}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.08.008}, author = {Choudhary, Vasant R. and Patil, V. P. and Jana, Prabhas and Uphade, B. S.} } @article { ISI:000258442800007, title = {Nanoreactors for nanostructured materials}, journal = {International Journal of Chemical Reactor Engineering}, volume = {6}, year = {2008}, month = {JAN}, pages = {A62}, publisher = {BERKELEY ELECTRONIC PRESS}, address = {2809 TELEGRAPH AVENUE, STE 202, BERKELEY, CA 94705 USA}, abstract = {
Organized systems such as micelles, reverse micelles, vesicles, polyelectrolyte capsules, liquid crystals, etc., formed through a self-assembling process represent nanoreactors that can be used for preparing nanostructured materials. Besides a fascinating academic subject, these nanoreactors provide a unique way to develop a special type of advanced material for a wide variety of applications in electronics, photonics, biomedical and other areas. The article examines the formation, functioning, properties and special attributes of these nanoreactors with a view towards their engineering analysis, design and possible integration in manufacturing technology.
}, keywords = {nanoreactors, Nanostructured materials, organized self-assemblies}, issn = {1542-6580}, author = {Khomane, Ramdas B. and Kulkarni, Bhaskar D.} } @article {42584, title = {Nanowires of metal-organic complex by photocrystallization: a system to achieve addressable electrically bistable devices and memory elements}, journal = {Langmuir}, volume = {24}, year = {2008}, month = {MAY}, pages = {5937{\textendash}5941}, abstract = {
A new method has been achieved to form a Cu:benzoquinone derivative (DDQ) charge-transfer complex by the photoexcitation of [Cu(DDQ)2(CH3COO)2] (1) that has been synthesized by the reaction of DDQ and hydrated cupric acetate in acetonitrile. Photoexcitation of coordinated complex 1 leads to the formation of charge-transfer complex Cu2+(DDQ{\textbullet}-)2 (2). The charge transfer complex 2, when spun on solid substrates, forms nanowires. Sandwich structures of 2 exhibit electrical bistability associated with memory phenomenon. Read-only and random-access memory phenomena are evidenced in nanowires of 2 providing a route to attend the issues pertaining to the addressibility of organic memory devices.
}, doi = {10.1021/la703871g}, author = {Rath, Arup Kumar and Dhara, Koushik and Banerjee, Pradyot and Pal, Amlan J.} } @article { ISI:000261559400012, title = {Natural gum reduced/stabilized gold nanoparticles for drug delivery formulations}, journal = {Chemistry-A European Journal}, volume = {14}, number = {33}, year = {2008}, month = {OCT}, pages = {10244-10250}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
{\textquoteleft}{\textquoteleft}Gellan Gum{\textquoteright}{\textquoteright}, widely used in food and confectionary industry as a thickening and gelling agent, has been employed as a reducing and stabilizing agent for the synthesis of gold nanoparticles. These nanoparticles display greater stability to electrolyte addition and pH changes relative to the traditional citrate and borohydride reduced nanoparticles. Subsequently these have been used to load anthracycline ring antibiotic doxorubicin hydrochloride. The drug loaded on these nanoparticles showed enhanced cytotoxic effects on human glioma cell lines LN-18 and LN-229.
}, keywords = {Apoptosis, Cytotoxicity, drug delivery, Gold, Nanostructures, natural gums}, issn = {0947-6539}, doi = {10.1002/chem.200801093}, author = {Dhar, Sheetal and Reddy, E. Maheswara and Shiras, Anjali and Pokharkar, Varsha and Bhagavatula L. V. Prasad} } @article { ISI:000259140700055, title = {N-doped TiO2 nanoparticle based visible light photocatalyst by modified peroxide sol-gel method}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {37}, year = {2008}, month = {SEP}, pages = {14595-14602}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The peroxide gel route is employed to synthesize N-doped TiO2 nanoparticles (NP) at low temperature using titanium tetraisopropoxide, ethylmethylamine, and hydrogen peroxide as precursors. Structural studies show anatase phase in the undoped titania NPs as well as at 5 at. \% N-doped titania NPs, although with a degree of matrix disorder in the latter case. The annealing of N-doped titania NPs at different temperatures shows that above 400 degrees C nitrogen escapes the O-Ti-O matrix and at 500 degrees C the sample becomes crystalline. Transmission electron microscopy reveals that the particle size is in the range of 20-30 nm for the undoped TiO2 but only 5-10 nm for N-doped TiO2. At higher nitrogen concentration (10 at. \%) bubble-like agglomerates form. FTIR and photoluminescence quenching also confirm the incorporation of nitrogen in anatase TiO2. Optical properties reveal an extended tailing of the absorption edge toward the visible region upon nitrogen doping. X-ray photoelectron spectroscopy is used to examine the electronic state of doped nitrogen and the associated possible electronic modification of the TiO2 matrix. Under visible light irradiation the undoped TiO2 NPs do not show any significant photocatalytic activity, as expected; however, the 5 at. \% N-doped TiO2 NPs show excellent activity.
}, issn = {1932-7447}, doi = {10.1021/jp803567f}, author = {Jagadale, Tushar C. and Takale, Shrikant P. and Sonawane, Ravindra S. and Joshi, Hrushikesh M. and Patil, Shankar I. and Kale, Bharat B. and Ogale, Satishchandra B.} } @article { ISI:000262377000014, title = {Near-complete phase transfer of single-wall carbon nanotubes by covalent functionalization}, journal = {Journal of Chemical Sciences}, volume = {120}, number = {6}, year = {2008}, note = {International Conference on Molecules and Materials - New Directions, Bangalore, INDIA, DEC 04, 2008}, month = {NOV}, pages = {599-606}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
We describe here an efficient phase transfer of single wall carbon nanotubes (SWNTs) from aqueous to non-aqueous media using a unique amide functionalization route, where water soluble SWNTs (2.6 mg/mL) are effectively transferred to solvents like chloroform, toluene and CS(2). A maximum of 30 wt\% of oxygenated groups have been generated on the side walls by rapid microwave treatment, leading to a solubility of more than 2.6 mg/mL in water. Approximate surface amine coverage of 50\% has been accomplished after oxalyl chloride treatment as inferred from thermogravimetry and X-ray photoelectron spectroscopy by controlling several key parameters associated with the extent of functionalization including purity of the sample, temperature and time.
}, keywords = {Carbon nanotubes, microscopy, Microwave, Nanostructures, solubility of SWNTs}, issn = {0253-4134}, doi = {10.1007/s12039-008-0091-3}, author = {Kakade, Bhalchandra A. and Patil, Sanjay and Sathe, Bhaskar and Gokhale, Suresh and Pillai, Vijayamohanan} } @article { ISI:000258370500015, title = {New approach towards imaging lambda-DNA using scanning tunneling microscopy/spectroscopy (STM/STS)}, journal = {Bulletin of Materials Science}, volume = {31}, number = {3}, year = {2008}, note = {National Review and Coordination Meeting on Nanoscience and Nanotechnology, Hyderabad, INDIA, 2007}, month = {JUN}, pages = {309-312}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
A new methodology to anchor A-DNA to silanized n-Si(111) surface using Langmuir Blodget trough was developed. The n-Si (111) was silanized by treating it with low molecular weight octyltrichlorosilane in toluene. Scanning tunneling microscopy (STM) image of lambda-DNA on octyltrichlorosilane deposited Si substrate shows areas exhibiting arrayed structures of 700 nm length and 40 nm spacing. Scanning tunneling spectroscopy (STS) at different stages depict a broad distribution of defect states in the bandgap region of n-Si(111) which presumably facilitates tunneling through otherwise insulating DNA layer.
}, keywords = {DNA, Langmuir Blodget technique, Scanning tunneling microscopy, silanization}, issn = {0250-4707}, doi = {10.1007/s12034-008-0049-6}, author = {Dey, Shirshendu and Pethkar, Sushama and Adyanthaya, Suguna D. and Sastry, Murali and Dharmadhikari, C. V.} } @article { ISI:000261133600029, title = {New microporous MOF material based on Zn(II)-polycarboxylate coordination polymer synthesized with the aid of 1,6-diaminohexane as template}, journal = {Microporous and Mesoporous Materials}, volume = {116}, number = {1-3}, year = {2008}, month = {DEC}, pages = {204-209}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A new microporous metal-organic framework (MOF) material ZBTEC-1 has been synthesized by designing infinite coordination polymer network formed between Zn(II) and 1,2,4,5-benzenetetracarboxylic acid (BTEC) under solvothermal conditions in the presence of 1,6-diaminohexane (DAH) as a single molecule template. Powder XRD data demonstrate that the ZBTEC-1 material has a new MOF structure. N-2 sorption studies indicated moderately good surface area (306 m(2) g(-1)) with large size micropores (average pore diameter ca. 0.7 nm) and very high pore volume (1.93 ccg(-1)). C-13 solid state MAS-NMR, FT-IR and UV-visible spectroscopic studies showed the presence of BTEC moieties in the framework. TEM and FE-SEM analysis indicated 30-60 nm diameter size microporous spherical particles for the ZBTEC-1 crystallites. This novel MOF material showed good hydrogen adsorption capacity at 77 K, indicating its potential application in hydrogen storage. (C) 2008 Elsevier Inc. All rights reserved.
}, keywords = {Coordination polymer, Metal-organic framework, Microporous material, porosity, Zinc complex}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.04.003}, author = {Chandra, Debraj and Kasture, Mahesh W. and Bhaumik, Asim} } @article { ISI:000254004400057, title = {New poly(phenylene oxide)/polystyrene blend nanocomposites with clay: intercalation, thermal and mechanical properties}, journal = {Journal of Applied Polymer Science}, volume = {108}, number = {3}, year = {2008}, month = {MAY}, pages = {1818-1828}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
We present the first study and results on the preparation and characterization of montmorillonite clay filter based polymer blend nanocomposites of the miscible poly(phenylene oxide)/polystyrene blend. Intercalated nanocomposites, prepared by a melt-processing method with 2-6 wt \% commercially available organically modified sodium montmorillonite, have been characterized with wide-angle X-ray diffraction, transmission electron microscopy analysis, thermal analysis (thermogravimetric analysis and differential scanning calorimetry), and mechanical tensile tests. We show that nanocomposites can be successfully prepared in a batch mixer at temperatures much below the conditions conventionally used for this blend without organic degradation. Thermal stability is enhanced by nanoscale hybrid formation. The level of intercalation (change in the d-spacing) does not change with the clay loading. Better dispersion of clay in the blend matrix has been observed at a low level of clay content. The nanocomposites show improved tensile modulus (by 31\%) in comparison to the blend, whereas the tensile strength (stress at break) and elongation decrease in the presence of the filler with an increase in the clay loading. The Halpin-Tsai model is able to predict the modulus of the nanocomposites in very good agreement with the experimental data. (c) 2008 Wiley Periodicals, Inc.
}, keywords = {mechanical properties, Nanocomposites, organoclay, poly(phenylene oxide), Polystyrene, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.27743}, author = {Tiwari, Rajkiran R. and Khilar, Kartic C. and Natarajan, Upendra} } @article { ISI:000258370500013, title = {New route for preparation of luminescent mercaptoethanoate capped cadmium selenide quantum dots}, journal = {Bulletin of Materials Science}, volume = {31}, number = {3}, year = {2008}, note = {National Review and Coordination Meeting on Nanoscience and Nanotechnology, Hyderabad, INDIA, 2007}, month = {JUN}, pages = {291-296}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
We report a synthesis of cadmium selenide quantum dots (Q-CdSe) by refluxing a mixture of cadmium acetate, selenium powder, sodium sulfite and 2-mercaptoethanol in N,N{\textquoteright}-dimethyl formamide (DMF)/water solution. X-ray and electron diffractions suggest the formation of hexagonal phase of size quantized CdSe. Based on TEM analysis, the formation of nanoparticles with an average diameter of 3.5 +/- 0.5 nm is inferred. Their sols in DMF and dimethyl sulphoxide (DMSO) gave characteristic absorption peaks at 300 nm and 327 nm, which is attributed to the formation of high quality, size quantized CdSe particles. Extracted particles from the sol were readily redispersed in DMF and DMSO, which were diluted further with water without losing their optical and colloidal properties. FTIR spectroscopy suggested the formation of 2-mercaptoethanol thiolate on the particle surface, with free -OH groups available for linkage. Sols in DMSO and their solutions in water displayed an intense photoluminescence (PL).
}, keywords = {chalcogenides, Chemical synthesis, photoluminescence, semiconductor quantum dots}, issn = {0250-4707}, doi = {10.1007/s12034-008-0047-8}, author = {Wankhede, Manoj E. and Inamdar, Shaukatali N. and Deshpande, Aparna and Thete, Aniket R. and Pasricha, Renu and Kulkarni, Sulabha K. and Harani, Santosh K.} } @article {43210, title = {New route to eremophilanes: synthesis of (+/-)-eremophilenolide, (+/-)-eremophiledinone, and (+/-)-deoxyeremopetasidione}, journal = {Tetrahedron Letters}, volume = {49}, year = {2008}, month = {OCT}, pages = {6084-6086}, abstract = {A new and efficient route to the family of eremophilanes is reported. Key steps are the highly stereocontrolled Diels-Alder reaction and aldol condensation to furnish a cis-decalin system with the desired stereochemistry present in the eremophilane family of natural products. This approach is general and was utilized for the synthesis of (+/-)-eremophilenolide, (+/-)-eremophiledinone, and (+/-)-deoxyeremopetasidione. (C) 2008 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2008.08.006}, author = {Srinivas, P. and Reddy, D. Srinivasa and Kumar, K. Shiva and Dubey, P. K. and Iqbal, Javed and Das, Parthasarathi} } @article { ISI:000253699900005, title = {Nonaqueous synthesis and characterization of capped alpha-Fe2O3 nanoparticles from iron(III) hydroxy-oleate precursor}, journal = {Polyhedron}, volume = {27}, number = {3}, year = {2008}, month = {FEB}, pages = {933-938}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The synthesis of capped alpha-Fe2O3 nanoparticles from thermal treatment of iron (III) hydroxy-oleate in boiling organic solvents around 250 degrees C with retention of the integrity of the oleate units during the reaction process is reported. The formation of capped iron oxide particles is accomplished under aerobic conditions while the solvents used in the synthesis have strong influence on the nature and morphology of nanoparticles. These nanoparticles are studied by means of X-ray powder diffraction, IR and XPS while the morphology and particle size of nanocrystals are evaluated using SEM and TEM analysis suggesting the formation of monocrystalline alpha-Fe2O3 particles having cubical and spherical morphologies with sizes ranging from 20 to 30 nm. This organophilic material with oleate capping around the surfaces can be readily dispersed in organic solvents thus forming organosols. These organosols exhibit band-edge emission photoluminescence band both in toluene as well as in solid state while FT-IR analysis reveals formation oleate capped nanoparticles The XPS data indicate ferric state having doublet from Fe 2P(3/2) and Fe 2p(1/2) core-level electrons. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {alpha-Fe2O3, capped nanoparticles, cubic morphology, ferrofluids, nonaqueous synthesis, Oleic acid, organosol}, issn = {0277-5387}, doi = {10.1016/j.poly.2007.11.021}, author = {Chikate, Rajeev C. and Jun, Ki-Won and Rode, Chandrasekhar V.} } @article { ISI:000257362100009, title = {Non-isothermal kinetic studies of the template decomposition from silicalite-1 framework-high temperature X-ray diffraction and thermogravimetric analysis}, journal = {Microporous and Mesoporous Materials}, volume = {113}, number = {1-3}, year = {2008}, month = {AUG}, pages = {64-71}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Non-isothermal decomposition of the tetrapropylammonium cations (TPA(+)) intercalated in silicalite-1 framework has been carried out using thermogravimetric (TG) analysis and high temperature powder X-ray diffraction (HTXRD) techniques. Conversion factor for template decomposition is calculated using two methods viz., \% weight loss from the thermogravimetric analysis and changes in the intensities of the Bragg reflections 101/011 and 200/020 in the HTXRD patterns scanned at different temperatures (range 298823 K). The calculated apparent activation energy for template decomposition in air was 129 and 125 kJ mol(-1), respectively, for the two techniques TG and HTXRD, calculated using the Kissinger method. By Flynn-Wall-Ozawa approach of isoconversion, apparent activation energy for template decomposition in air was 123 and 124 U mol-1, respectively, for TG and HTXRD data. The reaction order was determined using the method of Kennedy and Clark and it is similar to 2 by both the techniques. The second order of template decomposition can be attributed to the fact that TPA+ is positioned in two different orientations inside the silicalite-1 framework. Template removal occurs with a contraction in unit cell dimensions. There is a decrease in the lattice parameters of the as-synthesized silicalite-1 sample after removal of template from the framework. (C) 2007 Elsevier Inc. All rights reserved.
}, keywords = {HTXRD, non-isothermal kinetics, Silicalite-1}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.11.002}, author = {Bhange, Deu S. and Pandya, N. A. and Jha, Ratnesh Kumar and Ramaswamy, Veda} } @article { ISI:000260533000029, title = {Noniterative density functional response approach: application to nonlinear optical properties of p-nitroaniline and its methyl-substituted derivatives}, journal = {Journal of Physical Chemistry A}, volume = {112}, number = {44}, year = {2008}, month = {NOV}, pages = {11266-11272}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report the effect of substitution, position of the substituent, and the symmetry on the nonlinear optical properties of p-nitroanline (PNA) and its derivatives using our implementation of the noniterative approximation of couple-perturbed Kohn-Sham (CPKS) equation in the deMon2k. Dipole moment, static polarizability, and first hyperpolarizability of these pi-conjugated donor-acceptor organic derivatives of PNA and its methyl-substituted analogs are calculated using our method at different exchange correlation functionals, namely, BP86, BPW91, and BLYP, using 6-31++G** basis set. A comparison of results obtained by our method with those obtained by MP2 (finite-field perturbation) method is presented in this paper. The effect of optical gap on charge transfer and subsequently on polarizabilities has been illustrated.
}, issn = {1089-5639}, doi = {10.1021/jp806204q}, author = {Sophy, K. B. and Shedge, Sapana V. and Pal, Sourav} } @article { ISI:000261275000005, title = {Non-phosgene route for the synthesis of methyl phenyl carbamate using ordered AISBA-15 catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {295}, number = {1-2}, year = {2008}, month = {NOV}, pages = {29-33}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Methyl phenyl carbamate (MPC) has been synthesized Under liquid phase conditions from dimethyl carbonate and aniline by using mesoporous AISBA-15 catalyst. The catalyst with different Si/Al ratio was synthesized by isomorphous Substitution of aluminium into the framework of siliceous SBA-15. The structural integrity of the catalyst system was diagnosed with the help of various characterization techniques Such as X-ray diffraction, Surface analysis, and the acidity measurement has been done by TPD using ammonia as probe molecule. AISBA-15 (Si/Al = 10) exhibited highest catalytic activity in the synthesis of MPC under the reaction Conditions Studied. The effect of parameters Such as molar ratio of reactants, catalyst concentration. reaction temperature and time on the conversion of aniline was investigated. The results demonstrated that an aniline conversion of 99\% and MPC selectivity of 71\% were achieved when the reaction was carried out at 100 C, DMC to aniline mole ratio of 10 with 5\% of catalyst (wt\% of total reaction mixture) for 3 h. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {amines, Dimethyl carbonate, Mesoporous AISBA-15, Methoxycarbonylation, Methyl phenyl carbamate}, issn = {1381-1169}, doi = {10.1016/j.molcata.2008.08.009}, author = {Lucas, Nishita and Amrute, Amol P. and Palraj, K. and Shanbhag, G. V. and Vinu, Ajayan and Halligudi, Shivaraj B.} } @article { ISI:000257365900027, title = {Novel hydroxide precursors for low temperature synthesis of selected ternary oxides}, journal = {Materials Research Bulletin}, volume = {43}, number = {7}, year = {2008}, month = {JUL}, pages = {1842-1849}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A novel method of using hydroxide precursors to reduce the synthesis temperature for few selected ternary oxides has been presented here. This technique is very useful and advantageous when the ternary oxides contain an alkaline earth element. The selected compositions for this method are BaCeO3 (BC), BaBiO3 (BB), La0.7Sr0.3CoO3 (LSCO) and BaBi2Nb2O9 (BBN). Commercially purchased strontium (or barium) hydroxide and freshly prepared lanthanum, cobalt, bismuth and niobium hydroxides were mixed thoroughly in stoichiometric ratio and heated at different temperatures ranging from 100 to 700 degrees C for 10 h for corresponding compositions. The sequence of the reaction and evolution of the product phase were studied by the X-ray diffraction (XRD) studies. The phase purity and lattice parameters were also determined by XRD investigations. All the product phases in each case were formed at relatively low temperature than when they were prepared by co-precipitation or solid state method. The morphology and average particle size of these powders were investigated by scanning electron microscopy (SEM). (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2007.07.006}, author = {Muthurajan, H. and Rao, N. Koteswara and Gupta, U. N. and Pradhan, Sivaram and Jha, Ratnesh Kumar and Kumar, H. H. and Mirji, S. A. and Ravi, V.} } @article { ISI:000254698300034, title = {Novel hydroxide precursors to prepare NaNbO3 and KNbO3}, journal = {Ceramics International}, volume = {34}, number = {3}, year = {2008}, month = {APR}, pages = {671-673}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Firstly, fresh niobium, hydroxide was precipitated from NbF5 solution using an aqueous ammonium hydroxide under basic conditions. Then a simple procedure of mixing potassium (or sodium) and niobium hydroxides together and heating at a low temperature (\<400 degrees C) produced KNbO3 (KN) or NaNbO3 (NN) powders. This is the lowest temperature so far reported for the formation of these phases. The phase content and lattice parameters are determined by X-ray diffraction (XRD). The average particle size and morphology were studied by scanning electron microscopy (SEM). (c) 2007 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {chemical preparation, niobates, Perovskites, powders, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2006.12.014}, author = {Muthurajan, H. and Kumar, H. H. and Samuel, V. and Gupta, U. N. and Ravi, V.} } @article { ISI:000253450900017, title = {Novel method for the protection of amino alcohols and carbonyl compounds over a heterogeneous, reusable catalyst}, journal = {Catalysis Communications}, volume = {9}, number = {5}, year = {2008}, month = {MAR}, pages = {645-649}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A novel application of Al-SBA-15 catalyst in the protection of amino alcohols and carbonyl compounds is reported. N-t-butoxy carbonyl [N(Boc)] amino alcohols were protected using 2,2-dimethoxyproparic (DMP) to form acetonides. Acetonide deprotection was also studied using the same catalyst to obtain the parent amino alcohol. Protection of carbonyl compounds was Studied using neopentyl glycol, ethylene glycol and propylene glycol as the protecting agents. A series of commercially important molecules Such as 2-substituted and 2,2-disubstituted 1,3-benzodioxoles were synthesized by reacting carbonyl compounds with catechol. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Acetalization, acetonide, Amino alcohol, benzodioxole, protection}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.07.008}, author = {Srivastava, P. and Srivastava, R.} } @article { ISI:000258775400012, title = {Novel process for the synthesis of class I antiarrhythmic agent (+/-)-cibenzoline and its analogs}, journal = {Synthetic Communications}, volume = {38}, number = {17}, year = {2008}, month = {AUG}, pages = {2967-2982}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Synthesis of (+/-)-cibenzoline and its analogs has been achieved by a simple sequence of reactions. The diaryl cyanoolefin intermediate 3 could be prepared by Knoevenagel condensation of benzophenone with ethylcyanoacetate to form the tetra-substituted olefin intermediate 2 followed by Krapcho deethoxycarbonylation or from beta-hydroxynitrile intermediate 2{\textquoteright} followed by the elimination of hydroxyl group respectively. The 2,2-diphenylcyclopropanecarbonitrile 4 was synthesized from intermediate 3 by cyclopropanation, which was converted to (+/-)-2-(2,2-diphenylcyclopropyl)-2-imidazoline 5 by reaction with ethylenediamine in the presence of a catalytic amount of sulfur. Moreover, the obtained 2-imidazolines were smoothly oxidized to the corresponding imidazoles 6 in good to moderate yields.
}, keywords = {Benzophenone, cibenzoline, cyclopropanation, diaryl cyanoolefin}, issn = {0039-7911}, doi = {10.1080/00397910802006388}, author = {Gholap, Atul R. and Paul, Vincent and Srinivasan, Kumar V.} } @article { ISI:000253625100010, title = {Novel stereoselective synthesis of pachastrissamine (jaspine B) starting from 1-pentadecanol}, journal = {Tetrahedron-Asymmetry}, volume = {19}, number = {2}, year = {2008}, month = {FEB}, pages = {209+}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A novel stereoselective synthesis of pachastrissamine (jaspine B), starting from commercially available 1-pentadecanol is described. Sharpless asymmetric dihydroxylation and a chelation controlled vinyl Grignard reaction are the key steps in this synthetic strategy. (C) 2007 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2007.12.001}, author = {Venkatesan, K. and Srinivasan, K. V.} } @article { ISI:000253478500012, title = {Novel synthesis of SrBi2Nb2O9 powders from hydroxide precursors}, journal = {International Journal of Applied Ceramic Technology}, volume = {5}, number = {1}, year = {2008}, month = {JAN}, pages = {101-104}, publisher = {BLACKWELL PUBLISHING}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {
Simple hydroxide precursors were used for the first time for the synthesis of a typical Aurivillius compound (SrBi2Nb2O9 (SBN)) at a low temperature. This method is very advantageous because it circumvents the use of SrCO3 in the case of conventional ceramics as well in the coprecipitation methods, thereby lowering the formation of the product phase. Commercially purchased strontium hydroxide is mixed thoroughly with freshly precipitated bismuth and niobium hydroxides in a stoichiometric ratio and heated at different temperatures ranging from 100 degrees C to 750 degrees C for 12 h. The sequence of the reaction and evolution of the product phase was monitored by X-ray diffraction (XRD) studies by recording the XRD for samples calcined at different temperatures. The incipient SBN phase begins to form at temperatures as low as 400 degrees C, and phase formation was complete only at 650 degrees C as revealed by the XRD observations. The differential thermal/thermogravimetric analyses) also corroborate this result. The morphology and average particle size of these powders were investigated by transmission electron microscopy studies.
}, issn = {1546-542X}, doi = {10.1111/j.1744-7402.2008.02182.x}, author = {Gupta, Upendra Nath and Rao, Koteswara and Pradhan, Sivaram and Jha, Ratnesh Kumar and Muthurajan, Harries and Ravi, Venkat} } @article { ISI:000254698300033, title = {Novel technique to prepare LiTaO3 at low temperature}, journal = {Ceramics International}, volume = {34}, number = {3}, year = {2008}, month = {APR}, pages = {669-670}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Firstly, fresh tantalum hydroxide was precipitated from TaF5 solution using an aqueous ammonium hydroxide under basic conditions. Then a simple procedure of mixing lithium and tantalum hydroxides together and heating at a low temperature (450 degrees C) produced pure ultrafine single phase LiTaO3 (LT). This is the lowest temperature so far reported for the formation of LT in the literature. The phase content and lattice parameters are determined by X-ray diffraction (XRD). The average particle size and morphology were studied by transmission electron microscopy (TEM). (c) 2006 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {chemical synthesis X-ray diffraction, Electron microscopy, electronic materials, LiTaO3}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2006.11.003}, author = {Muthurajan, H. and Kumar, H. H. and Natarajan, N. and Ravi, V.} } @article { ISI:000254450600014, title = {Novel three dimensional cubic Fm3m mesoporous aluminosilicates with tailored cage type pore structure and high aluminum content}, journal = {Advanced Functional Materials}, volume = {18}, number = {4}, year = {2008}, month = {FEB}, pages = {640-651}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Novel three dimensional cubic Fm3m mesoporous aluminosilicates (AIKIT-5) with very high structural order and unprecedented loadings of Al in the silica framework have been successfully prepared for the first time by using non ionic surfactant as a template in a highly acidic medium. The obtained materials have been unambiguously characterized in detail by several sophisticated techniques such as XRD, N, adsorption, HRTEM, HRSEM, EDS, elemental mapping, Al-27 MAS NMR, and NH3-TPD. We also demonstrate that the nature, and the amount of Al incorporation in the silica framework can easily be controlled by simply varying the n(H2O)/n(HCl) and the n(Si)/n(Al), ratios, and the Al sources in the synthesis gel. Among the Al sources examined, the Al isopropoxide (AiPr) is superior over other Al sources. Al-27 MAS NMR results reveal that the amount of tetrahedral Al in the framework can be controlled by simply adjusting the nSi/nAl ratio in the synthesis gel, which increases with increasing the Al incorporation. One of the interesting findings in the work is the increase of the specific surface area, specific pore volume and the pore diameter of AIKIT-5 with increasing the Al incorporation in the silica framework (up to n(Si)/n(Al), ratio of 10) while retaining the well-ordered three dimensional cage type porous structure, and the mechanism for the unusual behavior has been discussed in detail. Finally, the acidity and the catalytic activity in the acetylation of veratrole of the AIKIT-5 catalysts have been studied and the results have been compared with the several zeolites catalysts. Among the catalysts examined, AIKIT-5(10) is found to be superior over the zeolites catalysts such as mordenite, zeolite H-Y, zeolite H-beta, and ZSM-5.
}, issn = {1616-301X}, doi = {10.1002/adfm.200701027}, author = {Srinivasu, Pavuluri and Alam, Sher and Balasubramanian, Veerappan V. and Velmathi, Sivan and Sawant, Dhanashri P. and Boehlmann, Winfred and Mirajkar, Subhash P. and Ariga, Katsuhiko and Halligudi, Shivappa B. and Vinu, Ajayan} } @article { ISI:000253715400006, title = {Observations of enhanced aerosol longwave radiative forcing over an urban environment}, journal = {Geophysical Research Letters}, volume = {35}, number = {4}, year = {2008}, month = {FEB}, pages = {L04817}, publisher = {AMER GEOPHYSICAL UNION}, address = {2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA}, abstract = {
Collocated measurements of sun/ sky radiance, aerosol chemical composition and radiative fluxes have been utilized to estimate longwave aerosol radiative forcing over Pune, an Indian urban site during dry winter [Dec2004 to Feb2005] by two methods. Hybrid method which uses observed downwelling and modeled upwelling longwave fluxes for different aerosol loadings yielded a surface forcing of 9.4 Wm(-2). Model approach includes utilization of skyradiometer derived spectral aerosol optical properties in the visible and near infra-red wavelengths, modeled aerosol properties in 1.2-40 mu m using observed soot and chemical composition data, MODIS water vapor and TOMS column ozone in a radiative transfer model. Estimates from model method showed longwave enhancement of 6.5 and 8.2Wm(-2) at the surface with tropical model atmosphere and temporally varying profiles of temperature and humidity, respectively. Study reveals that about 25\% of the aerosol shortwave cooling is being compensated by increase in longwave radiation due to aerosol absorption.
}, issn = {0094-8276}, doi = {10.1029/2007GL032879}, author = {Panicker, A. S. and Pandithurai, G. and Safai, P. D. and Kewat, S.} } @article { ISI:000257228100019, title = {Optimal xylanase production using Penicilium janthinellum NCIM 1169: a model based approach}, journal = {Biochemical Engineering Journal}, volume = {40}, number = {2}, year = {2008}, month = {JUN}, pages = {348-356}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Xylanases are an industrially important class of hydrolytic enzymes that degrade xylans. Production of xylanase from a fungal culture by submerged fermentation and optimization of the operating conditions for maximum activity are the two aims of the present study. Penicillium janthinellum NCIM 1169 with Mandels-Weber medium, sugarcane bagassse (40\#) as a carbon source and beef extract as a nitrogen source were used in the experiments. We did 41 experiments to see the effect of variations in carbon, nitrogen source, pH, and inoculum on xylanase activity. This data was then used to build an input/output model using multiple linear regression, back propagation neural network and lazy learning algorithm. It was found that lazy learning model correlated well in mapping input/output data. This model was then utilized as an objective function in genetic algorithm to find the optimal combination of the operating conditions to get the maximum xylanase activity. It was observed that with carbon source, 1.63\%, nitrogen source, 0.16\%, pH, 4.1, and inoculum, 5.5\%, maximum xylanase activity of 28.98 +/- 1.73 U/ml was achieved. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Artificial intelligence, Enzyme activity, Fermentation, Modeling, Optimization, Xylanase}, issn = {1369-703X}, doi = {10.1016/j.bej.2008.01.003}, author = {Meshram, Mukesh and Kulkarni, Abhijit and Jayaraman, Valadi K. and Kulkarni, B. D. and Lele, S. S.} } @article {43245, title = {Orbital optimization in the density matrix renormalization group, with applications to polyenes and ss-carotene}, journal = {Journal of Chemical Physics}, volume = {128}, year = {2008}, month = {APR}, doi = {10.1063/1.2883976}, author = {Ghosh, Debashree and Hachmann, Johannes and Yanai, Takeshi and Chan, Garnet Kin-Lic} } @article { ISI:000271775108158, title = {ORGN 511-Total synthesis of 7-chloro-10-methoxycamptothecin: an important synthon for commercially important derivatives of camptothecin}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {235}, year = {2008}, note = {235th American-Chemical-Society National Meeting, New Orleans, LA, APR 06-10, 2008}, month = {APR}, publisher = {Amer Chem Soc}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0065-7727}, author = {Sharma, Anil and Chavan, Subhash P. and Venkatraman, M. S.} } @article { ISI:000253382100048, title = {PdCl2(bipy) complex - an efficient catalyst for Heck reaction in glycol-organic biphasic medium}, journal = {Catalysis Today}, volume = {131}, number = {1-4}, year = {2008}, note = {4th Asia-Pacific Congress on Catalysis, Nanyang Technol Univ, Singapore, SINGAPORE, DEC 06-08, 2006}, month = {FEB}, pages = {353-359}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The Palladium complex PdCl2(bipy) (1) was found to be efficient in catalyzing the Heck reaction of aryl halides in a biphasic system comprising ethylene glycol along with an organic solvent. A proper tailoring of the organic phase ensured that the leaching of the catalyst to the organic phase was negligible. The catalyst was active for the Heck reaction of a number of olefins, aryl halides, in presence of organic and inorganic bases. The PdCl2(bipy) catalyst was stable and could be recycled for five times without any loss in activity and selectivity. A major advantage of this work is that unlike hitherto reported biphasic systems; it does not employ a water-soluble ligand to achieve biphasic catalysis. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Biphasic catalysis, C-C coupling, Heck reaction, PdCl2(bipy) complex}, issn = {0920-5861}, doi = {10.1016/j.cattod.2007.10.043}, author = {Jagtap, Sangeeta Vijay and Deshpande, Raj Madhukar} } @article { ISI:000257287600018, title = {Peculiarities of the adsorption kinetics of mixed convex plus concave contour objects}, journal = {Physical Review E}, volume = {77}, number = {6, 2}, year = {2008}, month = {JUN}, pages = {066111}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
Random sequential adsorption of mixed convex plus concave contour (MC) objects exhibits some distinctly different peculiar characteristics than the cases of purely convex objects. Though the substrate coverage approaches the jamming limit with time t as t(-p), same as that for convex objects, the law p similar to 1/d(f), valid for convex objects with d(f) degrees of freedom, does not hold for MC objects. Interestingly, for a fixed number of degrees of freedom, the exponent p changes with the degree of nonconvexity and bears a near perfect correlation with the same.
}, issn = {1539-3755}, doi = {10.1103/PhysRevE.77.066111}, author = {Shelke, Pradip B. and Ogale, S. B. and Khandkar, M. D. and Limaye, A. V.} } @article { ISI:000261329400003, title = {Periodic mesoporous silicas and organosilicas: an overview towards catalysis}, journal = {Catalysis Surveys from Asia}, volume = {12}, number = {4}, year = {2008}, month = {DEC}, pages = {266-282}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Micelle-templated mesoporous and organic-inorganic hybrid mesoporous materials are important in many fields of material research, especially for hosting catalysts in confined space. Among this class, the recent discovery of periodic mesoporous organosilicas (PMOs) represent an exciting new group of organic-inorganic nanocomposites targeted for a broad range of applications ranging from catalysis to microelectronics. Compared to the earlier generation of organic-inorganic hybrid mesoporous samples, obtained by the cocondensation reaction or by the grafting reaction, PMOs represent the right combination of organic and inorganic groups in the frame wall positions. This article reviews the current state of art in organic-inorganic hybrid mesoporous material research with special emphasis over periodic mesoporous organosilica materials having various redox centers (Ti, V, Cr) suitable for oxidation reactions as well as acidic sites (Al, -SO(3)H) for the organic transformation of bulky molecules.
}, keywords = {Acid catalysis, epoxidation, Mesoporous organosilicas, Organic-inorganic hybrid materials}, issn = {1571-1013}, doi = {10.1007/s10563-008-9056-2}, author = {Shylesh, S. and Samuel, Prinson P. and Sisodiya, Sheetal and Singh, A. P.} } @article { ISI:000208979401243, title = {Permeabilization effect of organic solvents on cell bound penicillin v acylase activity of Erwinia aroideae (DSMZ 30186)}, journal = {Journal of Biotechnology}, volume = {136}, number = {S}, year = {2008}, month = {OCT}, pages = {S321}, publisher = {ELSEVIER SCIENCE BV}, type = {Meeting Abstract}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2008.07.1932}, author = {Kumar, Atul and Pundle, Archana} } @article { ISI:000260809600008, title = {pH Induced structural alterations in an aspartic protease from Vigna radiata indicating an alkali induced molten globule state}, journal = {International Journal of Biological Macromolecules}, volume = {43}, number = {4}, year = {2008}, month = {NOV}, pages = {373-376}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
pH-dependent transitions in secondary and tertiary structure are described for a plant aspartic protease from Vigna radiata. The enzyme was pH stable with pH optima of 3.0. The Lineweaver Burk analysis at various pH yielded pK(a) values of 3.3 and 4.29 indicating acidic amino acids at the active site of the enzyme. The structural changes exemplified compact secondary structure collapsed tertiary structure and exposure of hydrophobic patches at pH 10. The changes at pH 10 are typical of a molten globule state. This alkali induced molten globule is novel since acid induced molten globule state is more reported. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Alkali induced molten globule, Plant aspartic protease, Structural transitions}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2008.07.017}, author = {Kulkarni, Aarohi and Gaikwad, Sushama M. and Rao, Mala} } @article { ISI:000256183700015, title = {Phosphotungstic acid on silica with modified acid sites as a solid catalyst for selective cleavage of tert-butyldimethylsilyl ethers}, journal = {Catalysis Communications}, volume = {9}, number = {9}, year = {2008}, month = {MAY}, pages = {1863-1868}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The strength and nature of acid sites of bulk phosphotungstic acid could be modified after dispersing it on silica support which was characterized by XRD, ammonia TPD and (31)P MAS NMR techniques. This solid acid catalyst was found to be highly selective for the cleavage of tert-butyldimethylsilyl ethers at room temperature. The catalyst was easily recovered by filtration and could be reused for several times without loss of any activity giving a TON of 9.5 x 10(5). (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Ammonia TPD, Catalytic cleavage, reaction pathway, solid acid, tert-butyldimethylsilyl ethers, XRD}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.03.017}, author = {Bhure, Mahesh H. and Kumar, Indresh and Natu, Arun D. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article { ISI:000255292000009, title = {Photocatalytic activity and characterization of sol-gel-derived Cr(III)-doped TiO(2)-coated active carbon composites}, journal = {Philosophical Magazine}, volume = {88}, number = {5}, year = {2008}, month = {APR}, pages = {767-779}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Cr(III)-doped, TiO(2)-coated active carbon (Cr-TiO(2)/AC) were prepared by a sol-gel method. The effect of supports, including TiO(2) and active carbon (AC), on the molecular structure and photocatalytic activity of chromium oxide for complete decomposition of EDTA has been examined with respect to the content of Cr on the catalyst surface. The photocatalytic activity of the Cr-TiO(2)/AC composites was evaluated in the decomposition of EDTA solution under UV irradiation. The results indicate that Cr-TiO(2)/AC has a higher efficiency in decomposition of EDTA than TiO(2), TiO(2)/AC or active carbon. This was attributed to the different functions of active carbon and chromate species. (1) Nanosize TiO(2) particles on composites were not reunited, possible because active carbon retards transformation of anatase into rutile and decreases the crystallite size. (2) Production of high concentrations of organic compound near Cr-TiO(2). (3) Carbon in active carbon causes some of the TiO(2) to reduce to Ti(3+) ions, which prevents electron-hole pair recombination. (4) Formation of polychromate species, with a stronger redox capability, on the surface of TiO(2)/AC. It was found that the addition of Cr to TiO(2) sol could suppress the grain growth of TiO(2) crystals and increase the hydroxyl content on the surface of TiO(2)/AC. The photocatalytic efficiency and activity of the composites remained good, even after three cycles.
}, keywords = {EDTA, photoactive, sol-gel, Titanium dioxide, XPS}, issn = {1478-6435}, doi = {10.1080/14786430801955261}, author = {Gambhire, A. B. and Lande, Machhindra K. and Mandale, A. B. and Patil, K. R. and Arbad, B. R.} } @article { ISI:000255295700013, title = {Photocatalytic decomposition of methylene nanocrystalline titania prepared by different blue on methods}, journal = {Materials Research Bulletin}, volume = {43}, number = {5}, year = {2008}, month = {MAY}, pages = {1145-1152}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Nanocrystalline particles of pure anatase titania were prepared by two different methods. One is the sol-gel method at ambient temperature using ultrasonication (TiO2-SG-US) and conventional stirring method (TiO2-SG-S) and the other by surfactant assisted hydrothermal synthesis (TiO2-HT). More uniform distribution/dispersion of the nanoparticles (SEM), marginally higher surface area, better thermal stability and phase purity are some of the advantages of preparation of nanocrystalline titania by sol gel ultrasonication method and hydrothermal synthesis method. The behavior of anatase titania in photocatalytic decomposition of methylene blue in aqueous medium was studied as a function of the method of preparation and the crystallite size. The nanoparticles prepared by ultrasonication method were more effective than both, the sample prepared by conventional stirring method and commercial Degussa P-25. The higher photocatalytic activity of TiO2-SG-US is attributed to the more uniform size of the particles as compared to TiO2-SG-S samples. Both TEM and XRD data on TiO2-HT samples reveal a uniform and nanocrystalline TiO2 particles, which showed photocatalytic activity in both UV and visible region although brookite phase was also present. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Catalytic properties, Nanostructures, Sol-gel chemistry}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2007.06.003}, author = {Ramaswamy, Veda and Jagtap, Neelam and Vijayanand, S. and Bhange, Deu S. and Awati, Preeti} } @article { ISI:000255001300003, title = {Physicomechanical and magnetic properties of neoprene based rubber ferrite composites}, journal = {Polymer-Plastics Technology and Engineering}, volume = {47}, number = {2}, year = {2008}, month = {JAN}, pages = {137-146}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Fine (approximately 18nm) particles of nickel ferrite were synthesized by the sol-gel technique, and their structural properties were evaluated by X-ray diffraction. Neoprene-based rubber ferrite composites were prepared by incorporating these nickel ferrite powders in the rubber matrix according to a specific recipe. The cure characteristics were analyzed, and the samples were molded into particular shapes whose properties were determined according to ASTM standards. Magnetization studies were carried out using a Vibrating Sample Magnetometer. This study indicates that neoprene rubber-based flexible magnets with desired magnetic properties and appropriate mechanical properties can be prepared by incorporating an adequate amount of nanoscale nickel ferrite particles within the rubber matrix.
}, keywords = {Ferrite, ferrite composites, flexible magnets, neoprene rubber, rubber, Sol-gel method}, issn = {0360-2559}, doi = {10.1080/03602550701815946}, author = {Prema, K. H. and Kurian, Philip and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000258059800006, title = {Phytochemical constituents and pharmacological activities of calotropis procera}, journal = {Plant Archives}, volume = {8}, number = {1}, year = {2008}, month = {APR}, pages = {23-27}, publisher = {R S YADAV}, address = {606-2 S CIVIL LINES, MUZAFFARNAGAR, 251 001, INDIA}, abstract = {
In spite of many synthetic compounds, the most efficient drugs have their origin directly or indirectly related with the plant kingdom. Many of the plant extracts have proven to posses important pharmacological actions depending upon the chemical constituents present. Calotropis procera, plant generally considered as a poisonous whereas widely used in the traditional medicinal system like Ayurveda and Unani. This plant has been reported to poses alkaloids, glycosides, flavonoids, triterpines etc in different parts and exhibit various pharmacological activities like anti-fertility, wound healing, antimalerial, antidiarrhoeal, anti-inflammatory etc. This review highlights some of the phytochemical and pharmacological aspects of Calotropis procera.
}, keywords = {calactin, calotoxin, Calotropis procera, pharmacological activities, phytochemical constituents, procesterol}, issn = {0972-5210}, author = {Qureshi, Absar A. and Qureshi, Azfar A. and Omer, Shaista and Sanghai, Dhirendra B. and Setty, S. R. and Bhajipale, N. S.} } @article { ISI:000258683600017, title = {pK(a)-Directed host-guest assemblies: rational analysis of molecular adducts of 2,4-diamino-6-methyl-1,3,5-triazine with various aliphatic dicarboxylic acids}, journal = {Chemistry-A European Journal}, volume = {14}, number = {23}, year = {2008}, month = {JUL}, pages = {6967-6977}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Molecular adducts of 2,4-diamino-6-methyl-1,3,5-triazine (1) have been prepared with various aliphatic dicarboxylic acids. The molecular complexes (1a-1i) thus formed by co-crystallizing 1 with oxalic, malonic, succinic, fumaric, acetylene dicarboxylic, glutaric, thiodiglycolic, diglycolic, and adipic acids have been found to give two types of host-guest assemblies that have voids or channels in a three-dimensional arrangement. The different types of host-guest arrangement appear to result from differences in the acidity of the dicarboxylic acids, that is, acids with pK(a) \< 3.0 give host networks that consist of 1 and the corresponding acid with water or solvent molecules of crystallization present as guests, whereas acids with pK(a) \> 3.0 exist as guests in voids in a host network formed by 1. The former arrangement is observed in adducts 1a, 1b, 1c, and 1h and the latter arrangement is found in adducts 1c, 1d, 1f, 1g and 1i.
}, keywords = {dicarboxylic acids, host-guest systems, hydrogen bonds, molecular recognition, supramolecular chemistry}, issn = {0947-6539}, doi = {10.1002/chem.200800649}, author = {Delori, Amit and Suresh, Eringathodi and Pedireddi, V. R.} } @article { ISI:000257321700001, title = {Poly(4-methyl-1-pentene)/MWNT nanocomposites}, journal = {E-Polymers}, year = {2008}, month = {JUL}, pages = {079}, publisher = {EUROPEAN POLYMER FEDERATION}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {
Nanocomposites of poly(4-methyl-1-pentene) (PMP) with various weight fractions of multiwall carbon nanotubes (MWNT{\textquoteright}s) were prepared by melt compounding. The nanocomposites are characterized for structure using scanning electron microscopy. The viscoelastic behavior of the nanocomposites is investigated in solid as well as melt state. The study reveals a significant increase in storage modulus especially in the rubbery regime of the polymer matrix and reduced tan delta. Rheological properties in melt show that the complex viscosity and shear storage modulus are increased as a result of incorporation of MWNT. A systematic decrease in the cross over frequency is noted which is attributed to the increased relaxation time. In dielectric analysis, composition dependent enhanced permittivity and conductivity are observed. The thermal stability of the polymer is found to be significantly improved in presence of MWNT{\textquoteright}s.
}, issn = {1618-7229}, author = {Patil, Prashant A. and Wanjale, Santosh D. and Jog, Jyoti Prakash} } @article { ISI:000254869800024, title = {Polymer electrolyte fuel cells using nafion-based composite membranes with functionalized carbon nanotubes}, journal = {Angewandte Chemie-International Edition}, volume = {47}, number = {14}, year = {2008}, month = {FEB}, pages = {2653-2656}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, keywords = {fuel cells, membranes, nanotubes, Polymers, proton transport}, issn = {1433-7851}, doi = {10.1002/anie.200704343}, author = {Kannan, Ramaiyan and Kakade, Bhalchandra A. and Pillai, Vijayamohanan K.} } @article { ISI:000260079300001, title = {Population proportion approach for ranking differentially expressed genes}, journal = {BMC Bioinformatics}, volume = {9}, year = {2008}, month = {SEP}, pages = {Article No. 380}, publisher = {BIOMED CENTRAL LTD}, type = {Article}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {
Background: DNA microarrays are used to investigate differences in gene expression between two or more classes of samples. Most currently used approaches compare mean expression levels between classes and are not geared to find genes whose expression is significantly different in only a subset of samples in a class. However, biological variability can lead to situations where key genes are differentially expressed in only a subset of samples. To facilitate the identification of such genes, a new method is reported. Methods: The key difference between the Population Proportion Ranking Method (PPRM) presented here and almost all other methods currently used is in the quantification of variability. PPRM quantifies variability in terms of inter-sample ratios and can be used to calculate the relative merit of differentially expressed genes with a specified difference in expression level between at least some samples in the two classes, which at the same time have lower than a specified variability within each class. Results: PPRM is tested on simulated data and on three publicly available cancer data sets. It is compared to the t test, PPST, COPA, OS, ORT and MOST using the simulated data. Under the conditions tested, it performs as well or better than the other methods tested under low intraclass variability and better than t test, PPST, COPA and OS when a gene is differentially expressed in only a subset of samples. It performs better than ORT and MOST in recognizing non differentially expressed genes with high variability in expression levels across all samples. For biological data, the success of predictor genes identified in appropriately classifying an independent sample is reported.
}, issn = {1471-2105}, doi = {10.1186/1471-2105-9-380}, author = {Gadgil, Mugdha} } @article { ISI:000261995800008, title = {Potential plasmid-curing agent, 8-epidiosbulbin E acetate, from dioscorea bulbifera L. against multidrug-resistant bacteria}, journal = {International Journal of Antimicrobial Agents}, volume = {32}, number = {5}, year = {2008}, month = {NOV}, pages = {405-410}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Bioassay-guided fractionation of an aqueous methanolic extract of Dioscorea bulbifera L. bulbs was performed using organic solvents. A novel plasmid-curing compound was identified as 8-epidiosbulbin E acetate (EEA) (norditerpene) on the basis of modern spectroscopic analysis and X-ray crystallography. EEA exhibited broad-spectrum plasmid-curing activity against multidrug-resistant (MDR) bacteria, including vancomycin-resistant enterococci. EEA cured antibiotic resistance plasmids (R-plasmids) from clinical isolates of Enterococcus faecalis, Escherichia coli, Shigella sonnei and Pseudomonas aeruginosa with 12-48\% curing efficiency. The reference plasmids of Bacillus subtilis (pUB110), E. coli (RP4), P. aeruginosa (RIP64) and Salmonella typhi (R136) were cured with efficiency ranging from 16\% to 64\%. EEA-mediated R-plasmid curing decreased the minimal inhibitory concentration of antibiotics against MDR bacteria, thus making antibiotic treatment more effective. The antibiotic resistance pattern revealed that the compound was effective in the reversal of bacterial resistance to various antibiotics. In addition, the compound did not show any cytotoxicity against a broad range of human cancer cell lines, namely MCF-7 (breast cancer), SiHa (cervical cancer) and A431 (epidermal carcinoma), and hence has the potential to be used as a lead compound for drug discovery programmes. (C) 2008 Elsevier B. V. and the International Society of Chemotherapy. All rights reserved.
}, keywords = {8-Epidiosbulbin E acetate, Antibiotic resistance, Dioscorea bulbifera, Plasmid curing}, issn = {0924-8579}, doi = {10.1016/j.ijantimicag.2008.05.013}, author = {Shriram, Varsha and Jahagirdar, Sheetal S. and Latha, C. and Kumar, Vinay and Puranik, Vedavati G. and Rojatkar, Supada and Dhakephalkar, Prashant K. and Shitole, M. G.} } @article { ISI:000259886100006, title = {Practical syntheses of 4-fluoroprolines}, journal = {Journal of Fluorine Chemistry}, volume = {129}, number = {9}, year = {2008}, month = {SEP}, pages = {781-784}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
4-Fluoroprolines are among the most useful nonnatural amino acids in chemical biology. Here, practical routes are reported for the synthesis of the 2S, 4R, 2S, 4S, and 2R,4S diastereomers of 4-fluoroproline. Each route starts with (2S,4R)-4-hydroxyproline, which is a prevalent component of collagen and hence readily available, and uses a fluoride salt to install the fluoro group. Hence, the routes provide process-scale access to these useful nonnatural amino acids. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {4-Fluoroproline, 4-Hydroxyproline, collagen, Nonnatural amino acid, Process-scale synthesis}, issn = {0022-1139}, doi = {10.1016/j.jfluchem.2008.06.024}, author = {Chorghade, Mukund S. and Mohapatra, Debendra K. and Sahoo, Gokarneswar and Gurjar, Mukund K. and Mandlecha, Manish V. and Bhoite, Nitin and Moghe, Santosh and Raines, Ronald T.} } @article { ISI:000254446000024, title = {Pre-organization-mediated macrocylization: efficient synthesis and structural investigations of BINOL-m-phenylenediamine-derived macrocycles}, journal = {Tetrahedron Letters}, volume = {49}, number = {13}, year = {2008}, month = {MAR}, pages = {2139-2142}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
This letter describes a serendipitous discovery of an efficient synthetic route to BINOL-m-phenylenediamine-derived macrocycles. These macrocycles are quickly accessible in an one-pot procedure by the direct condensation of (R) and (S) BINOL bis-acids with suitably substituted m-phenylenediamine analogs. Structural investigations by single crystal X-ray crystallography and solution-state NMR studies provided convincing evidence of their intramolecular hydrogen bonding arrangement and rigid structural architecture. The striking feature of these macrocycles is their ready accessibility in optically pure form coupled with their ease of synthesis. (C) 2008 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.01.116}, author = {Srinivas, Deekonda and Gonnade, Rajesh G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000263687000002, title = {Preparation and characterization of electrospun fibers of nylon 11}, journal = {Express Polymer Letters}, volume = {2}, number = {8}, year = {2008}, month = {AUG}, pages = {540-545}, publisher = {BUDAPEST UNIV TECHNOL \& ECON}, address = {DEPT POLYMER ENG, MUEGYETEM RKP 3, BUDAPEST, H-1111, HUNGARY}, abstract = {
Nylon 11 nanofibers mats were successfully prepared by electrospinning process from formic acid solution. The scanning electron microscopy (SEM) images showed that nanofibers with uniform diameter were produced when the polymer concentration was 10\% w/v, whereas ribbons were formed at a higher concentration. The crystalline structure of the nanofibers mats was investigated using X-ray diffraction (XRD) and it was found that the nanofibers mats crystallized in gamma form. The melt crystallized as well as solution casted films however exhibited a form. The thermal properties of these samples were studied using differential scanning calorimetry (DSC) and it was observed that electrospun fibers showed higher crystallinity than the melt-crystallized samples. However, the crystallinity of electrospun fibers was lower than the solution-crystallized sample.
}, keywords = {biocompatible polymers, electrospinning, Nanomaterials, Nylon 11}, issn = {1788-618X}, doi = {10.3144/expresspolymlett.2008.65}, author = {Dhanalakshmi, M. and Jog, Jyoti Prakash} } @article { ISI:000251802900022, title = {Preparation and characterization of novel hybrid of chitosan-g-PDMS and sodium montmorrilonite}, journal = {Journal of Biomedical Materials Research Part B-Applied Biomaterials}, volume = {84}, number = {1}, year = {2008}, month = {JAN}, pages = {184-190}, publisher = {WILEY-LISS}, address = {DIV JOHN WILEY \& SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Preparation and properties of Chitosan (CS)-clay nanocomposites grafted with polydimethyl siloxane (PDMS) with different clay ratios are herein discussed. CS is intercalated into sodium montmorrilonite and PDMS is grafted onto CS under UV irradiation. Sample films of CS intercalated into clay and grafted with PDMS were prepared by solvent casting method with varying amount of nanoclay and PDMS. They were characterized by conventional techniques such as X-ray diffractometry, fourier transform infrared spectroscopy, C-13 NMR, thermo gravimetric analysis, and differential thermal analysis. Sorption behavior of samples has been followed by measuring swelling degree and issues on the interactions of biopolymers with clay are also discussed. The water absorption of composites films reduces with an increase in the amount of incorporated clay. This is due to the barrier formation in the form of cross-linking points, which prevents water permeation into CS. The amount of adsorbed water is more, when the amount of CS exceeds the amount of PDMS. This shows high water retention capacity of CS. (c) 2007 Wiley Periodicals, Inc.
}, keywords = {Chitosan, graft copolymerization, Nanocomposites, PDMS, water absorption}, issn = {1552-4973}, doi = {10.1002/jbm.b.30860}, author = {Depan, Dilip and Kumar, Bijandra and Singh, Raj Pal} } @article { ISI:000257815100074, title = {Preparation and electrochemical characterization of lithium cobalt oxide nanoparticles by modified sol-gel method}, journal = {Materials Research Bulletin}, volume = {43}, number = {8-9}, year = {2008}, month = {AUG}, pages = {2497-2503}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Uniformly distributed nanoparticles of LiCoO2 have been synthesized through the simple sol-gel method in presence of neutral surfactant (Tween-80). The powders were characterized by X-ray diffractometry, transmission electron microscopy and electrochemical method including charge-discharge cycling performance. The powder calcined at a temperature of 900 degrees C for 5 h shows pure phase layered LiCoO2. The results show that the particle size is reduced in presence of surfactant as compared to normal sol-gel method. Also, the sample prepared in presence of surfactant and calcined at 900 degrees C for 5 h shows the highest initial discharge capacity (106 mAh g(-1)) with good cycling stability as compared to the sample prepared without surfactant which shows the specific discharge capacity of 50 mAh g(-1). (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Electrochemical properties, intercalation reactions, Layered compounds, Sol-gel chemistry, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2007.08.033}, author = {Khomane, Ramdas B. and Agrawal, Amit C. and Kulkarni, B. D. and Gopukumar, S. and Sivashanmugam, A.} } @article { ISI:000255612400002, title = {Preparation of ferroelectric CaBi(4)Ti(4)O(15) powders from novel hydroxide precursors}, journal = {Materials Letters}, volume = {62}, number = {12-13}, year = {2008}, month = {APR}, pages = {1751-1753}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Ferroelectric CaBi(4)Ti(4)O(15) (CBT) powders were prepared for the first time from their respective hydroxides. Commercially purchased Ca(OH)(2) is mixed thoroughly with freshly prepared Bi(OH)(3) and Ti(OH)(4) in stoichiometrie ratio and heated at different temperatures ranging from 100 to 600 degrees C. The CBT phase found to be formed at 500 degrees C by the X-ray diffraction studies. This is the lowest temperature so far reported in the literature for the formation of CBT phase. The advantage of this method is that it also avoids the formation of calcium carbonate phase during synthesis. The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD) method. The average particle size and morphology were studied by scanning electron microscopy (SEM) technique. (c) 2007 Elsevier B.V All rights reserved.
}, keywords = {CaBi(4)Ti(4)O(15), Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray methods}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.09.080}, author = {Deshmukh, Rupali G. and Vaishampayan, Mukta V. and Darshane, Sonali L. and Mulla, Imtiaz S. and Gaikwad, A. B. and Rao, N. Kotaserwara and Ravi, V.} } @article { ISI:000262590700009, title = {Presence of a functional nitrate assimilation pathway in mycobacterium smegmatis}, journal = {Microbial Pathogenesis}, volume = {44}, number = {1}, year = {2008}, month = {JAN}, pages = {71-77}, publisher = {ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {
Ability of Mycobacterium smegmatis to assimilate nitrate was evaluated in its active and dormant phase. Nitrate (10 mM), nitrite (0.5 mM) and ammonia (10 mM)allowed growth of M. smegmatis concomitant with their complete depletion from the culture in 144, 120 and 96 h, respectively, when used as sole nitrogen Source. Azide (50 mu M) stopped the growth of M. smegmatis when nitrate was used as sole nitrogen source. L-methionine-S-sulfoximine (L-MSO), which is a well-known inhibitor of glutamine synthetase, an enzyme also involved in nitrogen metabolic pathway, when applied at 10 mu g/ml concentration, completely inhibited the growth of the organism when nitrate or nitrite was used as sole nitrogen source. There was no effect of either azide or L-MSO at above concentrations on the growth of the organism when asparagine or ammonia was used as sole nitrogen source. More significantly, utilization of nitrate, nitrite and ammonia continued even in oxygen depletion induced dormant culture at the rates of 289, 25 and 354 mu M/day, respectively. These rates were 5-8 times slower than the rates of 1966, 127 and 2890 mu M/day, respectively, in active replicating phase. In the presence of azide (50 mu M) and L-MSO (10 mu g/ml), 2.1 and 1.51 logs reduction in viability of dormant M. smegmatis was observed using nitrate and nitrite, respectively, as sole nitrogen source. Altogether, the results indicated the presence of nitrate assimilation pathway operating in both active and dormant stage of M. smegmatis. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Dormant bacilli, Glutamine synthetase, L-methionine-S-sulfoximine, Mycobacterium smegmatis, Nitrate assimilation}, issn = {0882-4010}, doi = {10.1016/j.micpath.2007.08.006}, author = {Khan, Arshad and Akhtar, Shamim and Ahmad, Jawid N. and Sarkar, Dhiman} } @article { ISI:000255803800012, title = {Production and single step purification of cyclodextrin glycosyltransferase from alkalophilic bacillus firmus by ion exchange chromatography}, journal = {Biochemical Engineering Journal}, volume = {39}, number = {3}, year = {2008}, month = {MAY}, pages = {510-515}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Production and purification of starch digesting cyclodextrin glycosyl transferase (CGTase) from alkalophilic Bacillus firmus was investigated. Fermentation was carried out in 141 bioreactor at 28 degrees C using a medium containing dextrin, yeast extract, peptone, (NH4)H2PO4 and MgSO4.7H(2)O. The extracellular enzyme was concentrated by tangential flow ultrafiltration. The concentrated enzyme was chromatographed using DEAE-sepharose and phenyl sepharose. DEAE-sepharose could be used to purify CGTase in a single step with 23.1 fold purification and 80.6\% recovery. The enzyme obtained had homogeneity and the molecular weight was 76 kDa confirmed by SDS-PAGE. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {alkalophilic, Bacillus firmus, CGTase, cyclodextrin, Purification}, issn = {1369-703X}, doi = {10.1016/j.bej.2007.09.020}, author = {Savergave, Laman S. and Mule, Santosh S. and Jogdand, Vitthal V. and Nene, Sanjay N. and Gadre, Ramchandra V.} } @article { ISI:000253014400014, title = {Protection of oligo deoxynucleotides against nuclease degradation through association with self-assembling peptides}, journal = {Biomaterials}, volume = {29}, number = {8}, year = {2008}, month = {MAR}, pages = {1099-1108}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Aggregates of the self-assembling peptide EAK16II or EAK16IV and oligodeoxynucleotides (ODNs) were prepared, and their stability upon diluting the solution was investigated by UV-vis spectroscopy. The aggregates prepared at pH 4 and pH 7 did not dissociate after the solution was diluted 5- and 10-fold. The resistance against Escherichia coli exonuclease I of the ODN located in the EAK-ODN aggregates was studied by fluorescence resonance energy transfer (FRET) after the ODN had aggregated with EAK 16II or EAK 16IV at pH 4 or pH 7. The effect that the peptide sequence, peptide concentration, pH, and centrifugation had on protecting the aggregated ODN against nuclease degradation was investigated. Significant nuclease resistance was obtained after the EAK-ODN aggregates had been prepared at pH 4, with an EAK16IV concentration greater than a threshold value, and ensuring that the solution was not centrifuged immediately after sample preparation. Centrifuging the EAK16IV-ODN solution immediately after sample preparation resulted in the loss of this nuclease protection. However, if the solution of EAK-ODN aggregates was centrifuged 24h after sample preparation, the nuclease protection afforded by the EAK16IV-ODN aggregates to the ODN was maintained even after being subject to a 10-fold dilution and up to 4 rounds of centrifugation over 4 days. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {aggregate, centrifugation, Fluorescence resonance energy transfer (FRET), nuclease resistance, oligonucleotide, self-assembling peptide}, issn = {0142-9612}, doi = {10.1016/j.biomaterials.2007.10.049}, author = {Wang, M. and Adikane, H. V. and Duhamel, J. and Chen, P.} } @article { ISI:000254697200009, title = {Purification and characterization of a T-antigen specific lectin from the coelomic fluid of a marine invertebrate, sea cucumber (Holothuria scabra)}, journal = {Fish \& Shellfish Immunology}, volume = {24}, number = {4}, year = {2008}, month = {APR}, pages = {450-458}, publisher = {ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {
A novel lectin was purified from the coelomic fluid of the sea cucumber Holothuria scabra (HSL), subjected to bacterial challenge. HSL is a monomeric glycoprotein of molecular mass 182 kDa. The lectin is highly thermostable as it retains full activity for 1 h at 80 degrees C. Further, the hemagglutination activity of HSL is unaffected by pH in the range 2-11. Unlike other lectins purified from marine invertebrates, the hemagglutination activity of HSL does not require any divalent metal ions. The affinity profile of HSL was studied by a combination of hemagglutination inhibition and fluorescence spectroscopy. HSL binds to desialylated glycoproteins, Me alpha Gal, T-antigen and T (alpha-ser)-antigen with a distinction between beta 1-4 and beta 1-3 linkages. Me alpha-T-antigen was a potent ligand having highest affinity (K-a 8.32 x 10(7) M-1). Monosaccharide binding is enthalphically driven while disaccharide binding involves both entropic and enthalpic contributions. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Fluorescence spectroscopy, Holothuria scabra, Lectin, marine invertebrate, Thermodynamic properties}, issn = {1050-4648}, doi = {10.1016/j.fsi.2008.01.002}, author = {Gowda, Nagaraj M. and Goswami, Usha and Khan, Mohammad Islam} } @article {42593, title = {Random and AB diblock copolymers of tricyclodecanemethanol urethane methacrylate with styrene: synthesis and morphology characterization}, journal = {Journal of Polymer Science Part A: Polymer Chemistry}, volume = {46}, year = {2008}, month = {DEC}, pages = {1278{\textendash}1288}, abstract = {
A monomer design having a bulky terminal tricyclodecane (TCD) unit linked via hydrogen bondable urethane to an ethyleneoxy methacrylate unit, and capable of generating three-dimensional honeycomb patterns upon solvent casting has been investigated. Random copolymers as well as a diblock copolymer Poly(Sty42-b-TCD18) of this monomer with styrene were prepared by free-radical polymerization route and atom transfer radical polymerization (ATRP) route. Morphology characterization was carried out using scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analysis. Particle size was measured by dynamic light scattering measurements (DLS). Irrespective of the wide differences in molecular weight and polydispersity index values, the random copolymers having TCD content \>30 mol \% were found to form microporous films upon solvent casting from a THF/water 9:1 solvent combination. The amount of TCD in the copolymer was found to have an influence on the pore size formed. The diblock copolymer formed microspheres \~{}200 nm in diameter. The thermal properties of all the polymers were studied using differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA), and the copolymers were found to have good thermal stability. {\textcopyright} 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 1278{\textendash}1288, 2008
}, doi = {10.1002/pola.22469}, author = {Deepak, V. D. and Asha, S. K.} } @article { ISI:000260561800007, title = {Rapid and high biodegradation of phenols catalyzed by Candida tropicalis NCIM 3556 cells}, journal = {Enzyme and Microbial Technology}, volume = {43}, number = {6}, year = {2008}, month = {NOV}, pages = {431-435}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Cells of 19 yeast cultures, belonging to genus Candida were screened for biodegradation of phenol. The cultures procured from NCIM culture collection and were selected so as to contain a representative of varied strains of the species. These were grown in MGYP3 medium and tested for biodegradation of phenol. C. tropicalis (CT) nos. 3118, 3556 and C. lipolytica 3472 effectively degraded \>90\% 2 g l(-1) phenol. The C. tropicalis 3556 strain was selected for further studies as it metabolized \>95\% phenol in just 16 h as compared to the other two which took 48 h. The maximum substrate concentration that could be completely degraded was 2 g l(-1). A study of induction, of different concentration of phenol in the growth medium showed that toxicity to cell growth increased with increasing phenol levels in growth media. Biodegradation of phenol derivatives - o-cresol, m-cresol. 2,6-dimethyl phenol, alpha-naphthol, o-chlorophenol and p-nitrophenol, by the selected three strains indicated that the specificity of each culture varied for different substrate. (C) 2008 Elsevier Inc. All rights reserved.
}, keywords = {Biodegradation, Candida lipolytica, Candida tropicalis, phenol, Phenol derivatives}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2008.07.008}, author = {Varma, Rita J. and Gaikwad, Bhaskar G.} } @article { ISI:000257694300013, title = {Rapid extraction and separation of indium(III) with a high molecular weight amine}, journal = {Indian Journal of Chemical Technology}, volume = {15}, number = {3}, year = {2008}, month = {MAY}, pages = {291-297}, publisher = {NATL INST SCIENCE COMMUNICATION}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
The liquid-liquid extraction of indium(III) from sodium succinate media using n-octylaniline in toluene as an extractant was studied. Quantitative extraction of indium(III) was observed in the range of 0.004-0.0075 M sodium succinate at pH 3.8-6.0 with 4\% n-octylaniline in toluene. Indium(III) was completely stripped from the metal loaded organic phase of the extractant with water and determined complexometrically. The stoichiometry of the extracted species was determined on the basis of;slope analysis. The extraction was found to proceed by a ion-pair mechanism with the extracted species being [RNH3+In(succinate)(2)(-)](org). Separation of indium(III) was carried out from some associated metals like Tl(I), Mg(II), Ni(II), Cu(II), Zn(II),. Cd(II), Hg(II), Pb(II), GC(IV), Sb(III), Bi(III). The selectivity of the extraction of indium(III) can also be achieved by use of a suitable masking agent for estimation and determination from the synthetic mixture corresponding to alloy to show the practical utility of the extractant.
}, keywords = {Indium(III), n-octylaniline, Separation, solvent extraction, succinate}, issn = {0971-457X}, author = {Shilmkar, T. N. and Kolekar, S. S. and Wadgaonkar, P. P. and Anuse, Mansing A.} } @article { ISI:000255421300007, title = {Rapid liquid-liquid extraction of thallium(III) from succinate media with 2-octylaminopyirdine in chloroform as the extractant}, journal = {Journal of the Serbian Chemical Society}, volume = {73}, number = {4}, year = {2008}, month = {JAN}, pages = {435-451}, publisher = {SERBIAN CHEMICAL SOC}, address = {KARNEGIJEVA 4, PO BOX 462, YU-11001 BELGRADE, YUGOSLAVIA}, abstract = {
A simple solvent extraction study of thallium(III) was conducted. Selective and quantitative extraction of thallium(III) by 2-octylaminopyridine (2-OAP) in chloroform occurred from aqueous sodium succinate medium (0.0075 M) at pH 3.0. Thallium(III) was back extracted with acetate buffer (pH 4.63). The effect of the concentration of succinate and 2-OAP, the role of various diluents, stripping agents, loading capacity of 2-OAP, equilibrium time and aqueous:organic volume ratio on the extraction of thallium(III) was studied. The stoichiometry of the extracted species was determined based on the slope analysis method and found to be 1: 2: 1 (metal: acid: extractant). The temperature dependence of the extraction equilibrium constant was also examined to estimate the apparent thermodynamic functions Delta H, Delta G and Delta S for the extraction reaction. The method is free from interference of a large number of cations and anions. The method was used for the selective extraction of thallium(III) from its binary mixture with Zn(II), Cd(II), Hg(II), Bi(ill), Pb(II), Se(IV), Te(IV), Sb(III), Ga(III), In(III), AI(III), TI(I) and Fe(III). The proposed method was applied to the synthetic mixtures and alloys. It is simple, selective, rapid and eco-friendly.
}, keywords = {2-OAP, liquid-liquid extraction, succinate media, Temperature effect, thallium(III)}, issn = {0352-5139}, doi = {10.2298/JSCO804435M}, author = {Mahamuni, Sandip V. and Wadgaonkar, Prakash P. and Anuse, Mansing A.} } @article { ISI:000253767100014, title = {Rapid phase-controlled microwave synthesis of nanostructured hierarchical tetragonal and cubic beta-In2S3 dandelion flowers}, journal = {Chemical Physics Letters}, volume = {452}, number = {4-6}, year = {2008}, month = {FEB}, pages = {301-305}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Phase controlled synthesis of hierarchical nanostructured beta-In2S3 dandelion flowers is realized by a rapid microwave solvothermal process using indium metal, nitric acid and thiourea as precursors. The tetragonal and cubic phases of the compound have been successfully and separately stabilized in the same type of dandelion morphology by using aqueous-mediated and methanol-mediated synthesis, respectively. The possible mechanism responsible for phase control is discussed. Optical properties of the flowers as well as their hydrogen generation capability by photodecomposition of H2S under visible light are also reported. (c) 2007 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2007.12.048}, author = {Naik, S. D. and Jagadale, Tushar C. and Apte, S. K. and Sonawane, S. and Kulkarni, M. V. and Patil, S. I. and Ogale, Satishchandra B. and Kale, B. B.} } @article { ISI:000253366100001, title = {Rare earth metal triflates promoted diels-alder reactions in ionic liquids}, journal = {Applied Catalysis A-General}, volume = {335}, number = {1}, year = {2008}, month = {FEB}, pages = {1-6}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Rare earth metal triflates, when used with ionic liquids can promote Diels-Alder reactions carried out with different dienes and dienophiles suggesting an enhancement in the catalytic power of the triflates in ionic liquids. It is possible to recover and reuse the ionic liquid phase with triflates to give comparable yields and stereoselectivities even after six cycles. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Diels-Alder reactions, ionic liquids, rare earth metal triflates}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.10.026}, author = {Sarma, Diganta and Kumar, Anil} } @article { ISI:000255455300004, title = {Reaction kinetics of liquid phase air oxidation of p-cresol to p-hydroxybenzaldehyde}, journal = {Applied Catalysis A-General}, volume = {339}, number = {1}, year = {2008}, month = {APR}, pages = {28-35}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The kinetics of liquid phase oxidation of p-cresol to p-hydroxybenzaldehyde has been investigated using insoluble cobalt oxide (CO3O4) catalyst at oxygen partial pressures in the range 0.1-1.5 MPa, reaction temperatures 333-393 K, p-cresol concentrations 0.49-1.53 kmol/m(3) and catalyst loadings 0.38-3.03 kg/m(3). The effects of oxygen partial pressure, reaction temperature, p-cresol concentration and catalyst loading on the initial rate of reaction have been studied. The initial rate varied linearly with catalyst loading up to 1.5 kg/m(3) beyond which it was independent of the catalyst loading while first-order dependence was observed with variation in oxygen partial pressure. A rate expression has been proposed considering Langmuir-Hinshelwood (LH) type mechanism, based on the initial rate data. A batch reactor model was also developed based on the kinetics studied and the concentration time profile predicted by the model was in good agreement with the experimental data. The activation energy for the liquid phase oxidation of p-cresol was found to be 39.6 kJ/mol. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Co3O4, kinetics, p-cresol oxidation, XPS, XRD}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.01.006}, author = {Kshirsagar, V. S. and Nadgeri, J. M. and Tayade, P. R. and Rode, C. V.} } @article {42460, title = {Reaction of huisgen zwitterion with diaryl ketones leading to the facile synthesis of mono- and bis(alkoxycarbonyl)hydrazones}, journal = {Synthesis-Stuttgart}, year = {2008}, month = {MAR}, pages = {1078-1084}, abstract = {
The Huisgen zwitterion, generated from triphenylphosphine and dialkyl azodicarboxylates, afforded upon reaction with diaryl ketones both mono- and bis(alkoxycarbonyl)hydrazones, depending on the reaction conditions.
}, doi = {10.1055/s-2008-1032125}, author = {Nair, Vijay and Mathew, Smitha C. and Biju, Akkattu T. and Eringathodi, Suresh} } @article { ISI:000259602400108, title = {Recovery of ammonical salts from mother liquid of 2-methyl-5-nitroimidazole}, journal = {Asian Journal of Chemistry}, volume = {20}, number = {4}, year = {2008}, month = {APR}, pages = {3287-3288}, publisher = {ASIAN JOURNAL OF CHEMISTRY}, address = {11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIA}, abstract = {
An attempt have been made to recover the ammonical salt (ammonium sulphate and ammonium nitrate) from the mother liquid of 2-methyl-5-nitroimidazole successfully.
}, keywords = {2-methyl-5-nitroimidazole, ammonium nitrate, ammonium sulphate, Recovery}, issn = {0970-7077}, author = {Dongare, Mohan K. and Rode, C. V. and Chandorkar, J. G.} } @article {42583, title = {Resistive switching in rose bengal and other xanthene molecules is a molecular phenomenon}, journal = {Organic Electronics}, volume = {9}, year = {2008}, month = {FEB}, pages = {495{\textendash}500}, abstract = {
There has been a debate on the mechanism of resistive switching in Rose Bengal and other Xanthene class molecules. While some authors proposed that the switching was due to an oxide layer at the Rose Bengal/Aluminum interface, some inferred the switching as an extrinsic effect like filament formation. We show results from Rose Bengal and other Xanthene class molecules on doped Si. Conductance switching in such monolayers induced by Pt/Ir tip of a scanning tunneling microscope (STM) in a non-contact mode shows that resistive switching in these molecules, initially reported by us in 2003 (in thin films), is indeed a molecular phenomenon.
}, doi = {10.1016/j.orgel.2008.02.013}, author = {Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000255774700006, title = {Rigid bicyclo[3.3.0]octane (octahydropentalene): a heavily constrained novel aliphatic template for molecular self-assembly}, journal = {Tetrahedron Letters}, volume = {49}, number = {19}, year = {2008}, month = {MAY}, pages = {3056-3059}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
This Letter reports the utility of a heavily constrained cis-fused bicyclo[3.3.0]octane (octahydropentalene) aliphatic template for effecting molecular self-assembly. An attractive feature of this system is its heavily constrained alicyclic backbone that would allow for the exploration of self-assembling systems with conformationally ordered features. (C) 2008 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.03.062}, author = {Kendhale, Amol M. and Gonnade, Rajesh G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000261767400044, title = {Role of solvent molecules as a trigger for the crystal phase transition of syndiotactic polystyrene/solvent complex}, journal = {Macromolecules}, volume = {41}, number = {24}, year = {2008}, month = {DEC}, pages = {9814-9818}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The phase transitions occurring in the syndiotactic polystyrene-norbornadiene complex were investigated by simultaneous measurements of wide-angle X-ray diffraction (WAXD) and differential scanning calorimetry (DSC). To understand the effect of norbornadiene molecules on the phase-transition behavior, the delta form samples with different contents of norbornadiene were prepared. By heating these samples, we found that the delta-to-gamma transition occurred well below 100 degrees C in a broad temperature range, and the onset of the transition temperature depended on the content of norbornadiene included in the starting sample. The sample without norbornadiene molecules showed the delta-to-gamma transition to be above 100 degrees C. Upon further heating, the gamma form transformed into a mixture of alpha and beta forms in the presence of norbornadiene molecules, whereas the sample without norbornadiene transformed into only the alpha form. In this way, it has been found that the solvent molecules, which are not completely evaporated from the sample but are transiently trapped in the amorphous region because of the slow diffusion, have a significant role in facilitating the phase transitions as well as the transition temperatures in the crystalline region. On the basis of WAXD and DSC results, a phase-transition model has been reasonably constructed.
}, issn = {0024-9297}, doi = {10.1021/ma801742p}, author = {Gowd, E. Bhoje and Tashiro, Kohji and Ramesh, C.} } @article { ISI:000258037300073, title = {RuO(2) doped SnO(2) nanobipyramids on Si (100) as a field emitter}, journal = {Thin Solid Films}, volume = {516}, number = {18}, year = {2008}, month = {JUL}, pages = {6388-6391}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Thin films of RuO(2): SnO(2) nanobipyramids have been grown on silicon (100) flat substrates, and their field emission behavior has been investigated. The field emission experiments have been performed in parallel plate configuration. In this experiment, the onset field for 0. 1 gA/ cm 2 current density has been found to be 0.2 V/mu m. The Fowler-Nordheim plot shows non-linear nature typical that of a semiconductor. The field enhancement factor has been estimated to be 35,600 cm(-1), indicating that the field emission originates from the nanometric features of the emitter. The current stability recorded at a preset value of I tA is observed to be good. Our field emission results on RuO(2): SnO(2) nanobipyramids indicate that, RuO(2): SnO(2) nanobipyramids are a potential candidate for futuristic field emission based devices. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {doped semiconductor, field emitter, field enhancement factor, ruthenium oxide, tin oxide}, issn = {0040-6090}, doi = {10.1016/j.tsf.2007.12.160}, author = {Bhise, Ashok B. and Late, Dattatray J. and Ramgir, Niranjan S. and More, Mahendra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Joag, Dilip S.} } @article { ISI:000260452200009, title = {[Ru(salen)(NO)] complex encapsulated in mesoporous SBA-16 as catalyst for hydrogenation of ketones}, journal = {Catalysis Communications}, volume = {10}, number = {1}, year = {2008}, month = {OCT}, pages = {45-48}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
SBA-16 mesoporous silica with cubic lm3m structure was synthesized using Pluronic F127 poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) triblock copolymer (EO106PO70EO106) and it blends with Pluronic P123 triblock copolymer (EO20PO70EO20) as supramolecular templates. The resulting material was used for encapsulating [Ru(salen)(NO)] complex and used in the hydrogenation of ketones to the corresponding alcohols. The pore entrance size of SBA-16 was precisely tailored by silylation with diphenyldichlorosilane to trap [Ru(salen)(NO)] complex in the cage of SBA-16. Small angle XRD, N-2 sorption measurements, UV-Vis and FT-IR analysis evidences the structural integrity of mesoporous silica as well as the complex. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Encapsulation, Hydrogenation, Ketones, SBA-16, [Ru(salen)(NO)] complex}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.07.029}, author = {Bordoloi, Ankur and Amrute, Amol P. and Halligudi, Shivaraj B.} } @article { ISI:000256530800003, title = {SbCl(3) as a highly efficient catalyst for the acetylation of alcohols, phenols, and amines under solvent-free conditions}, journal = {Synthetic Communications}, volume = {38}, number = {10}, year = {2008}, month = {APR}, pages = {1518-1526}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Antimony trichloride has been found to be an efficient and expedient catalyst for the acylation of alcohols, phenols, amines, and sugars with acetic anhydride in high yields and in a short reaction time under solvent-free conditions at room temperature. Also, racemization of chiral alcohols and epimerization of sugars were not observed in any of the substrates.
}, keywords = {acetic anhydride, acetylation, antimony trichloride, solvent-free conditions}, issn = {0039-7911}, doi = {10.1080/00397910801928640}, author = {Bhattacharya, Asish K. and Diallo, Mamadou A. and Ganesh, Krishna N.} } @article { ISI:000260230400034, title = {Scanning tunneling microscopic and field emission microscopic studies of nanostructured molybdenum film synthesized by electron cyclotron resonance plasma}, journal = {Vacuum}, volume = {83}, number = {2}, year = {2008}, month = {SEP}, pages = {435-443}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Cathodic sputtering is demonstrated to be effective in synthesizing thin films of molybdenum nanoparticles. An electron cyclotron resonance plasma reactor has been used as the source. The particle size distribution is found to be controllable by proper choice of the cathodic bias potential. Sizes ranging between 20 and 30 nm deposited at the optimum bias potential are found to exhibit a self assembled structure as observed by scanning tunneling microscopy. Field emission microscopic studies on these films supported on W have exhibited very stable emission current over a period of 3 h. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {ECR plasma, Field emission microscopy, Hollow cathode chemical sputtering, Mo nanoparticles, Scanning tunneling microscopy}, issn = {0042-207X}, doi = {10.1016/j.vacuum.2008.04.077}, author = {Purohit, Vishwas S. and Bhise, Ashok B. and Dey, Shirshendu and More, Mahendra A. and Dharmadhikari, C. V. and Joag, Dilip S. and Pasricha, Renu and Bhoraskar, S. V.} } @article { ISI:000261168700002, title = {Second world ayurveda congress (Theme: Ayurveda for the Future) inaugural address: part III}, journal = {Evidence-Based Complementary and Alternative Medicine}, volume = {5}, number = {4}, year = {2008}, month = {DEC}, pages = {367-369}, publisher = {HINDAWI PUBLISHING CORPORATION}, address = {410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USA}, issn = {1741-427X}, doi = {10.1093/ecam/nen015}, author = {Mashelkar, Raghunath Anant} } @article { ISI:000256270300003, title = {Second world ayurveda congress (Theme: Ayurveda for the Future) - inaugural address: part I}, journal = {Evidence-Based Complementary and Alternative Medicine}, volume = {5}, number = {2}, year = {2008}, month = {JUN}, pages = {129-131}, publisher = {HINDAWI PUBLISHING CORPORATION}, address = {410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USA}, issn = {1741-427X}, doi = {10.1093/ecam/nen013}, author = {Mashelkar, Raghunath Anant} } @article { ISI:000258961900002, title = {Second world ayurveda congress (Theme: Ayurveda for the Future) - inaugural address: part II}, journal = {Evidence-Based Complementary and Alternative Medicine}, volume = {5}, number = {3}, year = {2008}, month = {SEP}, pages = {243-245}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, issn = {1741-427X}, doi = {10.1093/ecam/nen014}, author = {Mashelkar, Raghunath Anant} } @article { ISI:000256178900015, title = {Selective cis-dihydroxylation of olefins using recyclable homogeneous molybdenum acetylide catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {285}, number = {1-2}, year = {2008}, month = {APR}, pages = {111-119}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Selective cis-dihydroxylation of various olefins has been carried out using molybdenum acetylide complex CpMO(CO)(3)(C CPh) (1) as catalyst and hydrogen peroxide as an efficient and environmentally benign oxidant. In case of cyclohexene, very high conversion (95\%) and selectivity (86\%) for cis-dihydroxylated product has been achieved using H2O2 as an oxidant and t-butanol as a solvent. cis-Dihydroxylation of other substrates like styrene, a-methyl styrene, limonene and cyclopentene has also been carried out with very high selectivity for diol. The catalyst and intermediate species have been characterized using FT-IR, UV-vis spectral analysis and XPS studies as well as cyclic voltametric studies. These studies suggest that molybdenum oxo-peroxo complex is the catalytically active species. The intermediate blue complex when characterized by ESI MS suggested the formation of dimeric molybdenum complex and XPS and cyclic voltametric studies confirm the presence of mixed valence Mo(V) and Mo(VI) in the reaction intermediate. Based on the characterization results possible mechanism for dihydroxylation is proposed. Interestingly, even though the catalyst is homogeneous; it could be recovered quantitatively by extraction in aqueous phase and recycled five times without any appreciable loss in cyclohexene conversion and selectivity for cis-1,2-cyclohexanediol. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {acetylide complex, cis-dihydroxylation, Homogeneous catalysis, Hydrogen peroxide, recyclable}, issn = {1381-1169}, doi = {10.1016/j.molcata.2008.01.034}, author = {Biradar, Ankush V. and Sathe, Bhaskar R. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000260988200019, title = {Selective epoxidation of styrene to styrene oxide by TBHP using simple transition metal oxides (NiO, CoO or MoO3) as highly active environmentally-friendly catalyst}, journal = {Catalysis Communications}, volume = {10}, number = {2}, year = {2008}, month = {NOV}, pages = {205-207}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Simple transition metal oxides, such as NiO, CoO or MoO3, etc. show high catalytic activity for the selective epoxidation of styrene to styrene oxide by TBHP. The order of choice for different transition metal oxides for epoxidation is NiO \> CoO \> MoO3 \> Cr2O3 \> Fe2O3 \> ZnO \>= U3O8 \>\> TiO2 \>\> MnO2. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {CoO, epoxidation, MoO3, NiO, styrene, Styrene oxide, TBHP}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.08.020}, author = {Choudhary, Vasant R. and Jha, Rani and Jana, Prabhas} } @article { ISI:000256043100018, title = {Selective N-oxidation of aromatic amines to nitroso derivatives using a molybdenum acetylide oxo-peroxo complex as catalyst}, journal = {Tetrahedron Letters}, volume = {49}, number = {22}, year = {2008}, month = {MAY}, pages = {3616-3619}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The molybdenum acetylide oxo-peroxo complex obtained in situ by the treatment of the corresponding molybdenum acetylide carbonyl complex, CpMo(CO)(3)(C CPh); Cp = eta(5-)C(5)H(5) with H(2)O(2), has been used as an efficient catalyst for selective N-oxidation of primary amines to nitroso derivatives. Excellent amine conversion (up to 100\%) and very high selectivity for nitroso compounds (99\%) have been obtained using 30\% hydrogen peroxide as an oxidant. The oxo peroxo, Mo(VI) complex has also been found to be very active for the oxidation of various substituted primary aromatic amines with electron donating as well as electron withdrawing substituents on the aromatic ring. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {aromatic amine, Homogenous catalyst, Hydrogen peroxide, Molybdenum complex, nitroso, Oxidation, Oxo-peroxo}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.04.005}, author = {Biradar, Ankush V. and Kotbagi, Trupti V. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000252563300006, title = {Selective oxidation of ethane over Mo-V-Al-O oxide catalysts: insight to the factors affecting the selectivity of ethylene and acetic acid and structure-activity correlation studies}, journal = {Catalysis Letters}, volume = {121}, number = {1-2}, year = {2008}, month = {FEB}, pages = {39-51}, publisher = {SPRINGER}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
Catalysts of general formula, MoVAlOx were prepared with the initial elemental composition of 1:0.34:0.167 (Mo:V:Al) at a pH value in the range of 1-4. The elemental analysis showed that the final composition of the catalysts is pH dependant. The performance of the catalysts was tested for selective oxidation of ethane to give ethylene and acetic acid. While all of them were active for ethane oxidation with a moderate conversion, the catalyst prepared at pH 2 showed a highest activity with 23\% ethane conversion and a combined selectivity of 80.6\% to ethylene and acetic acid. The catalyst prepared at pH 4 was least selective to ethylene and acetic acid. Various techniques like powder XRD, SEM, Raman, UV-Vis and EPR were used to characterize the catalysts and to identify the active phases responsible for the selective oxidation of ethane. The powder XRD data showed that the catalysts prepared at pH 1 and 2 contain mainly of MoO3 and MoV2O8 along with traces of Mo4O11. The amount of MoO3 was slightly higher in the catalyst prepared at pH 1. However, the catalyst prepared at pH 3 contains mainly of MoV2O8 with no trace of MoO3. The catalyst prepared at pH 4 showed V2O5 as the major phase along with MoVAlO4 phase. The Raman data corroborated the XRD results. EPR and UV-Vis studies indicated the presence of traces of V-4 in pH 1 and 2 catalysts and significant amount of Mo5+ in all the catalysts. Thus, the high activity and selectivity to ethylene and acetic acid are attributed to the presence of MoV2O8 phase and other reduced species like Mo4O11 phase supported on MoO3. The presence of V and Mo ions in a partially reduced form seems to play a crucial role in the selective oxidation of ethane.
}, keywords = {Acetic acid, ethane, Ethylene, mixed metal oxide, Selective oxidation}, issn = {1011-372X}, doi = {10.1007/s10562-007-9289-0}, author = {Sankaranarayanan, T. M. and Ingle, Rohit H. and Gaikwad, T. B. and Lokhande, S. K. and Raja, T. and Devi, R. N. and Ramaswamy, V. and Manikandan, Palanichamy} } @article { ISI:000260587200010, title = {Self-diffusion coefficient of ring polymers in semidilute solution}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {46}, number = {21}, year = {2008}, month = {NOV}, pages = {2370-2379}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
In a topologically constraining environment the size of a flexible nonconcatenated ring polymer (macrocycles) and its dynamics are known to differ from that of linear polymers. Hence, the diffusion coefficient of ring polymers can be expected to be different from linear chains. We present here scaling arguments for the concentration and molecular weight dependence of self-diffusion coefficient of ring polymers in semidilute solutions, and show that contrary to expectations these scaling relations are identical to what is known for linear polymers. At higher concentrations excluded volume interactions arising from possibilities of segmental overlap can become effective for large ring polymers. In this regime the diffusion coefficient of large ring polymers shows a relatively weaker dependence on concentration and molecular weight. (C) 2008 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 46: 2370-2379, 2008
}, keywords = {Diffusion, Macrocycles, Monte Carlo simulation}, issn = {0887-6266}, doi = {10.1002/polb.21569}, author = {Iyer, Balaj V. S. and Shanbhag, Sachin and Juvekar, Vinay A. and Lele, Ashish K.} } @article { ISI:000263320900032, title = {Sequence-specific unusual (1 -> 2)-type helical turns in alpha/beta-hybrid peptides}, journal = {Journal of the American Chemical Society}, volume = {130}, number = {52}, year = {2008}, month = {DEC}, pages = {17743-17754}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
This article describes novel conformationally ordered (alpha/beta-hybrid peptides consisting of repeating L-proline-anthranilic acid building blocks. These oligomers adopt a compact, right-handed helical architecture determined by the intrinsic conformational preferences of the individual amino acid residues. The striking feature of these oligomers is their ability to display an unusual periodic pseudo beta-turn network of nine-membered hydrogen-bonded rings formed in the forward direction of the sequence by 1{\textendash}\>2 amino acid interactions both in solid-state and in solution. Conformational investigations of several of these oligomers by single-crystal X-ray diffraction, solution-state NMR, and ab initio MO theory suggest that the characteristic steric and dihedral angle restraints exerted by proline are essential for stabilizing the unusual pseudo beta-turn network found in these oligomers. Replacing proline by the conformationally flexible analogue alanine (Ala) or by the conformationally more constrained alpha-amino isobutyric acid (Aib) had an adverse effect on the stabilization of this structural architecture. These findings increase the potential to design novel secondary structure elements profiting from the steric and dihedral angle constraints of the amino acid constituents and help to augment the conformational space available for synthetic oligomer design with diverse backbone structures.
}, issn = {0002-7863}, doi = {10.1021/ja804297f}, author = {Prabhakaran, Panchami and Kale, Sangram S. and Puranik, Vedavati G. and Rajamohanan, P. R. and Chetina, Olga and Howard, Judith A. K. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000257640400029, title = {Serine protease inhibitor from hemolymph of green mussel, perna viridis}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {18}, number = {14}, year = {2008}, month = {JUL}, pages = {3963-3967}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Bioactivity guided fractions of cell-free hemolymph of bacterially challenged marine mussel, Perna viridis led to the isolation of a novel quaternary alkaloid 1, which was identified by its spectral data. The isolated molecule 1 has been found to be a potent serine protease inhibitor ( SPI) showing IC(50) and K(i) values of 102.5 and 97.1-104.68 mu M, respectively. The E(t)/K(i) value of SPI is 6.3, whereas E(t)/K(m) value is 1.04. The Van{\textquoteright}t Hoff analysis showed that the value of K(i) decreases with increase in temperature, and the binding of the inhibitor is entropically driven. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {hemolymph, Natural product, Perna viridis, protease inhibitor}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.06.010}, author = {Khan, M. S. and Goswami, U. and Rojatkar, S. R. and Khan, Mohammad Islam} } @article { ISI:000261745700001, title = {Shape-dependent electrocatalytic activity of platinum nanostructures}, journal = {Journal of Materials Chemistry}, volume = {18}, number = {48}, year = {2008}, month = {SEP}, pages = {5858-5870}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Since many metallic nanostructures with different shapes exhibit unique chemical and physical properties, a systematic attempt to synthesize these shape-controlled structures for property-shape correlation remains an important challenge in contemporary materials chemistry. Main difficulties like poor shape selectivity, low yield, presence of impurity phases, difficulty of separation, etc., are exacerbated since metallic structures have high surface energies which favour lower surface areas, and consequently many synthesis strategies, including the use of hard and soft templates and external nucleating agents, are being employed along with theoretical guidelines from density functional calculations on simpler systems. One of the important application areas where these structures have gained profound attention is in electrocatalysis, where the kinetics of many structure-sensitive reactions of technological relevance have been experimentally observed to show drastic changes with shape especially in the nanosize domain, at least in one dimension. Considering their scientific and technological importance, this feature article provides an overview of the recent progress on the shape-controlled synthesis of metallic nanostructures with special emphasis on platinum, and their crucial role in the electrocatalysis of anodic reactions for polymer electrolyte fuel cells.
}, issn = {0959-9428}, doi = {10.1039/b811149a}, author = {Subhramannia, Mahima and Pillai, Vijayamohanan K.} } @article { ISI:000252757100013, title = {Sheet-forming abiotic hetero foldamers}, journal = {Chemical Communications}, number = {6}, year = {2008}, month = {DEC}, pages = {712-714}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Abiotic hetero oligomers, adopting a well-defined extended self-assembled sheet-like structure, derived from conformationally constrained aliphatic and aromatic amino acid residues repeating at regular intervals are reported.
}, issn = {1359-7345}, doi = {10.1039/b713229h}, author = {Baruah, Pranjal K. and Sreedevi, Naduthottiyil K. and Majumdar, Baisakhi and Pasricha, Renu and Poddar, Pankaj and Gonnade, Rajesh G. and Ravindranathan, Sapna and Sanjayan, Gangadhar J.} } @article { ISI:000260843500013, title = {Short enantioselective synthesis of (-)-bestatin via L-proline-catalyzed alpha-amination of an aldehyde}, journal = {Tetrahedron Letters}, volume = {49}, number = {48}, year = {2008}, month = {NOV}, pages = {6791-6793}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short and high yielding enantioselective synthesis of (-)-bestatin, a naturally occurring aminopeptidase inhibitor, is described Via L-proline-catalyzed asymmetric alpha-amination of 3-phenylpropionaldehyde as the key reaction. The methodology also involves a Pd-catalyzed intramolecular cyclization of an allylic acetate giving a trans-oxazoline in a highly diastereoselective manner (dr \> 14:1). (C) 2008 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.09.054}, author = {George, Shyla and Suryavanshi, Gurunath S. and Sudalai, Arumugam} } @article { ISI:000259537800008, title = {Short enantioselective synthesis of (+)-L-733,060 via Shi epoxidation of a homoallylic carboxylate}, journal = {Tetrahedron Letters}, volume = {49}, number = {40}, year = {2008}, month = {SEP}, pages = {5736-5738}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short and efficient enantioselective synthesis of (+)-L-733,060 in 92\% ee via Shi epoxidation of a homoallylic carboxylate is described. Johnson-Claisen rearrangement was employed to obtain the required carbon backbone, whilst intramolecular reductive O-to-N-ring expansion of a delta-azidolactone was used in the construction of the piperidine moiety. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {1, 2-aminoalcohols, 3, 3-sigmatropic rearrangement, asymmetric epoxidation, Lactone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.07.086}, author = {Emmanuvel, Lourdusamy and Sudalai, Arumugam} } @article { ISI:000257349100007, title = {Silicate nanoparticles by bioleaching of glass and modification of the glass surface}, journal = {Journal of Non-Crystalline Solids}, volume = {354}, number = {29}, year = {2008}, month = {JUL}, pages = {3433-3437}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Bioleaching is examined as a low temperature (50 degrees C) soft chemical approach to nanosynthesis and surface processing. We demonstrate that fungus based bioleaching of borosilicate glass enables synthesis of nearly monodispersed ultrafine (similar to 5 +/- 0.5 nm) silicate nanoparticles. Using various techniques such as X-ray diffraction, X-ray photoelectron spectroscopy and FTIR we compare the constitution and composition of the nanoparticles with that of the parent glass, and establish the basic similarities between the two. The bioleaching process is shown to enhance the non-bridging oxygen component and correspondingly influence the Si-O-Si network. The root mean square roughness of glass surface is seen to increase from 1.27 nm for bare glass to 2.52 nm for 15 h fungal processed case, this increase being equivalent to that for glass annealed at 500 degrees C. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Bioglass, Biomaterials, borosilicates, narroparticles}, issn = {0022-3093}, doi = {10.1016/j.jnoncrysol.2008.03.025}, author = {Kulkarni, Sneha and Syed, Asad and Singh, Sanjay and Gaikwad, Anil and Patil, Kashinath and Vijayamohanan, K. and Ahmad, Absar and Ogale, Satishchandra} } @article { ISI:000254948900017, title = {Simple and efficient one-pot, three-component, solvent-free synthesis of beta-enaminones via sonogashira coupling-Michael addition sequences}, journal = {Synthetic Communications}, volume = {38}, number = {9}, year = {2008}, month = {APR}, pages = {1456-1469}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A simple, efficient, and environmentally friendly one-pot, three-component synthesis of beta-enaminones via Sonogashira coupling-Michael addition sequences under solvent-free conditions has been reported. Also the synthesis of beta-enaminones has been achieved in high yields by the direct reaction of amines with ynones under solvent-free conditions.
}, keywords = {Alkynes, beta-enaminones, coupling, Michael additions, solvent free, ynones}, issn = {0039-7911}, doi = {10.1080/00397910801914343}, author = {Palimkar, Sanjay S. and More, Vijaykumar S. and Srinivasan, Kumar V.} } @article { ISI:000255300600009, title = {Simple whole cell based high throughput screening protocol using Mycobacterium bovis BCG for inhibitors against dormant and active tubercle bacilli}, journal = {Journal of Microbiological Methods}, volume = {73}, number = {1}, year = {2008}, month = {APR}, pages = {62-68}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
This study aimed at developing a whole cell based high throughput screening protocol to identify inhibitors against both active and dormant tubercle bacilli. A respiratory type of nitrate reductase (NarGHJI), which was induced during dormancy, could reflect the viability of dormant bacilli of Mycobacterium bovis BCG in microplate adopted model of in vitro dormancy. Correlation between reduction in viability and nitrate reductase activity was seen clearly when dormant stage inhibitor metronidazole and itaconic anhydride were applied in this in vitro microplate model. Active replicating stage could also be monitored in the same assay by measuring the A(620) of the culture. MIC values of 0.08, 0.075, 0.3 and 3.0 mu g/ml, determined through monitoring A(620) in this assay for rifampin, isoniazid, streptomycin and ethambutol respectively, were well in agreement with previously reported by BACTEC and Bio-Siv assays. S/N ratio and Z{\textquoteright} factor for the assay were 8.5 and 0.81 respectively which indicated the robustness of the protocol. Altogether the assay provides an easy, inexpensive, rapid, robust and high content screening too] to search novel antitubercular molecules against both active and dormant bacilli. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {high throughput screening, tuberculosis, Wayne{\textquoteright}s dormancy model, whole cell based assay}, issn = {0167-7012}, doi = {10.1016/j.mimet.2008.01.015}, author = {Khan, Arshad and Sarkar, Dhiman} } @article { ISI:000259342400009, title = {Size dependent coordination behavior and cation distribution in MgAl2O4 nanoparticles from Al-27 solid state NMR studies}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {38}, year = {2008}, month = {SEP}, pages = {14737-14744}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Nanoparticles of spinel-type oxides such as ferrites offer great advantages and applications in many important areas. Decreasing the size of the particles to nanometer size will increase the surface-to-volume ratio and this will strongly influence the physical and chemical properties of these materials. For magnetic nanoparticles, the exchange interactions at the surface of a particle will be different from those inside due to changes in the coordination behavior at the surface. Therefore, studying and understanding the coordination and distribution behavior of the different metal ions in the nanoparticles of spinel-type oxides is very important. Solid state NMR is a useful and important technique to obtain information on local structural variations. The degree of the distribution of the Al3+ ions in the tetrahedral and octahedral sites in the nanoparticles of the nonmagnetic spinet MgAl2O4 having different particle sizes has been determined by Al-27 magic-angle spinning (MAS) NMR spectroscopy. It has been observed that the inversion parameter decreases with increasing particle size. Apart from the usual tetrahedral and octahedral coordinations present in the bulk material, the presence of five- and three-coordinated At has been observed in nanoparticles with sizes less than 18 nm and a second octahedral coordination is observed for nanoparticles of larger sizes.
}, issn = {1932-7447}, doi = {10.1021/jp800412k}, author = {Sreeja, V. and Smitha, T. S. and Nand, Deepak and Ajithkumar, Thalasseril G. and Joy, Pattayil Alias} } @article { ISI:000253339800027, title = {Sn-119 magic angle spinning NMR of nanocrystalline SnO2}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {1}, year = {2008}, month = {JAN}, pages = {321-328}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Nanocrystalline SnO2 samples of different grain sizes, prepared by inert gas condensation technique (IGCT) and chemical precipitation method and conforming to the tetragonal phase, have been studied by variable speed (3-10 kHz) Sn-119 MAS NMR at 11.74 Tesla field. Sn-119 solid-state NMR results show that the IGCT prepared samples have good crystallinity and phase purity compared to the samples prepared by the chemical method. The determination of Sn-119 chemical shielding parameters (delta(iso), Delta delta and eta) from slow MAS spectra shows that the Sn-119 isotropic chemical shift (delta(iso)) is strongly influenced at smaller grain sizes, attributable to the change in the O2- local symmetry for the surface Sn-119 ions at smaller grain sizes. The observed line widths in MAS spectra are significantly larger than the life-time broadening due to spin-lattice (T-1) and spin-spin (T,) relaxation. The Sn-119 MAS NMR spectra are thus inhomogeneously broadened by a distribution of isotropic chemical shifts, the line broadening increasing with decrease in grain size.
}, keywords = {Hydrolysis, IGCT, MAS NMR, nanocrystalline SnO2}, issn = {1533-4880}, doi = {10.1166/jnn.2008.015}, author = {Sabarinathan, V. and Chandran, C. Vinod and Ramasamy, S. and Ganapathy, Subramanian} } @article { ISI:000260774300012, title = {Sol-gel synthesis of MoO(3)/SiO(2) composite for catalytic application in condensation of anisole with paraformaldehyde}, journal = {Catalysis Letters}, volume = {126}, number = {3-4}, year = {2008}, month = {DEC}, pages = {286-292}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
MoO(3)/SiO(2) composite with varying amounts of MoO(3) loading (1-20 wt.\%) were prepared by sol-gel method and calcined at 500 C. These catalysts were employed for the liquid phase condensation of anisole with paraformaldehyde. All the catalysts were characterized by N(2) sorption, XRD, and NH(3)-TPD. The activities of synthesized MoO(3)/SiO(2) catalysts were compared with p-toluene sulfonic acid (p-TSA), the most frequently used catalyst for the condensation reactions, and with a supported metal oxide (WO (x) /ZrO(2)). Under the similar reaction conditions, synthesized 10 wt.\% MoO(3)/SiO(2) catalyst calcined at 500 C was found to be the most active in the condensation of anisole with paraformaldehyde.
}, keywords = {4, 4{\textquoteright}-Dimethoxydiphenylmethane, Condensation of anisole, MoO(3)/SiO(2) composites, Paraformaldehyde, Sol-gel synthesis}, issn = {1011-372X}, doi = {10.1007/s10562-008-9611-5}, author = {Amrute, Amol P. and Bordoloi, Ankur and Lucas, Nishita and Palraj, K. and Halligudi, Shivaraj B.} } @article { ISI:000254587500014, title = {Solvent-free and nonisocyanate melt transurethane reaction for aliphatic polyurethanes and mechanistic aspects}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {46}, number = {7}, year = {2008}, month = {APR}, pages = {2445-2458}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
A novel melt transurethane polycondensation route for polyurethanes under solvent-free and nonisocyanate condition was developed for soluble and thermally stable aliphatic or aromatic polyurethanes. The new transurethane process was investigated for A + 13, A-A + B, and A-A + B-B (A-urethane and B-hydroxyl) type condensation reactions, and also monomers bearing primary and secondary urethane or hydroxyl functionalities. The transurethane process was confirmed by H-1 and C-13 NMR, and molecular weight of the polymers were obtained as M-n = 10-15 X 10(3) and M-w = 15-45 X 10(3) g/mol. The mechanistic aspects of the melt transurethane process and role of the catalyst were investigated using model reactions, H-1 NMR, and MALDI-TOF-MS. The model reactions indicated the occurrence of 97\% reaction in the presence of catalyst, whereas its absence gave only less than 2\% of the product. The polymer samples were subjected for end-group analysis using MALDI-TOF-MS, which confirms the Ti-catalyst mediated nonisocyanate pathway in the melt transurethane process. Almost all the polyurethanes were stable up to 280 degrees C, and the T-g of the polyurethanes can be easily fine-tuned from -30 to 120 degrees C by using appropriate diols in the melt transurethane process. (C) 2008 Wiley Periodicals, Inc.
}, keywords = {MALDI, melt polymerization, nonisocyanate, Polycondensation, polyurethanes, thermal stability, transurethane}, issn = {0887-624X}, doi = {10.1002/pola.22578}, author = {Deepa, P. and Jayakannan, M.} } @article { ISI:000254798300017, title = {Spectrophotometric method for estimation of aliphatic primary amines in biological samples}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {24}, number = {4}, year = {2008}, month = {APR}, pages = {573-576}, publisher = {SPRINGER}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
A method based on Rimini test for aliphatic amines was studied and developed for quantitative estimation of aliphatic primary amines. The method involves action of the amine with acetone to form schiff base which complexes with sodium nitroprusside to give violet colour. The absorption maximum in the visible range of the spectrum, for the reaction mixture was found to be 550 nm. The pH (8-11) and reaction time scan for the assay were optimized. A linear relation of concentration (0.2-3 mg/mL) of amine against absorbance at 550 nm was established. Interference due to other reaction components was negligible (+/- 0.02 mg/mL) as compared to the sample in buffer. 1,3-dimethyl butylamine was used as the model amine and the method was applied to other amines; it was observed that when electron-withdrawing substituents are present in the molecule the reaction is retarded, as the incubation time was longer. This method is useful for estimation of aliphatic primary amine in biological samples.
}, keywords = {determination, estimation, primary aliphatic amines, Schiffs base, sodium nitroprusside, spectrophotometric}, issn = {0959-3993}, doi = {10.1007/s11274-007-9499-z}, author = {Varma, Rita J. and Gaikwad, Bhaskar G.} } @article { ISI:000260776800046, title = {Static and dynamic magnetic properties of Co nanoparticles}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {8}, year = {2008}, note = {International Conference on Advanced Nano-Materials, Indian Inst Technol, Phys Dept, Bombay, INDIA, JAN 08-10, 2007}, month = {AUG}, pages = {4086-4091}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Co nanoparticles have been synthesized using wet-chemical methods. As-synthesized particles show a sharp low temperature peak in zero-field cooled (ZFC) magnetization well below the blocking transition temperature and this feature is associated with surface spin disorder. We have investigated the dynamic magnetic properties of Co using ac susceptibility and resonant RF transverse susceptibility (TS). We also studied the memory and relaxation effects in these nanoparticle systems. From these measurements we show a typical blocking behavior of an assembly of superparamagnetic nanoparticles with a wide distribution of blocking temperatures. The transverse susceptibility measurements on these particles show the presence of anisotropy even above the blocking temperature. The role of surface anisotropy and the size distribution of the particles on the observed memory and magnetic relaxation effects are discussed.
}, keywords = {Ac Susceptibility, Co Nanoparticles, Magnetic relaxation, Transverse Susceptibility}, issn = {1533-4880}, doi = {10.1166/jnn.2008.AN06}, author = {Srinath, S. and Poddar, P. and Sidhaye, Deepti S. and Bhagavatula L. V. Prasad and Gass, James and Srikanth, H.} } @article { ISI:000253896400027, title = {Steady state and time-resolved fluorescence studies of a hemagglutinin from Moringa oleifera}, journal = {Journal of Fluorescence}, volume = {18}, number = {2}, year = {2008}, month = {MAR}, pages = {479-485}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The saccharide binding and conformational characterization of a hemagglutinin, a low molecular weight protein from the seeds of Moringa oleifera was studied using steady state and time resolved fluorescence. The lectin binds sugars LacNAc (K-a = 1380 M-1) and fructose (K-a = 975 M-1), as determined by the fluorescence spectroscopy. It has a single tryptophan per monomer which is exposed on the surface and is in a strong electropositive environment as revealed by quenching with iodide. Quenching of the fluorescence by acrylamide involved both static (K-s = 0.216 M-1) and collisional (K-sv= 8.19 M-1) components. The native protein showed two different lifetimes, tau(1) (1.6 ns) and tau(2) (4.36 ns) which decrease and get converted into a single one, (2.21 ns) after quenching with 0.15 M acrylamide. The bimolecular quenching constant, k(q) was 7.55 x 10(11) M-1 s(-1). ANS binding studies showed that the native protein has exposed hydrophobic patches which get further exposed at extreme acidic or alkaline pH. However, they get buried in the interior of the protein in presence of 1 M GdnHCl or urea.
}, keywords = {ANS binding, fluorescence, Hemagglutinin, lifetime, Moringa oleifera, saccharide binding, Solute quenching}, issn = {1053-0509}, doi = {10.1007/s10895-007-0289-7}, author = {Katre, Uma V. and Suresh, C. G. and Khan, Mohammad Islam and Gaikwad, Sushama M.} } @article { ISI:000256839100021, title = {Stereoselective synthesis of beta-C-Allyl- and beta-C-propargyl-D-arabinofuranosides}, journal = {Synthesis-Stuttgart}, number = {11}, year = {2008}, month = {JUN}, pages = {1783-1787}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
The stereoselective synthesis of beta-configured C-allyl- and C-propargyl-D-arabinofuranosides (4,7-anhydro-1,2,3-deoxy-D-gluco-oct-1-enitols and -oct-1-ynitols) was addressed by employing allylation/propargylation of a dialdofuranose under aqueous Barbier reaction conditions and acid-catalyzed furan ring transposition of 5-O-mesyl-manno-oct-7-eno- or 5-O-mesyl-manno-oct-7-ynofuranoside derivatives.
}, keywords = {Allylation, Barbier reaction, C-glycoside, D-mannose, propargylation, Ring transposition}, issn = {0039-7881}, doi = {10.1055/s-2008-1067016}, author = {Ramana, C. V. and Narute, Sachin B. and Gonnade, Rajesh G. and Patil, Rahul S.} } @article { ISI:000263106900028, title = {Stereoselective synthesis of (S)-dapoxetine starting from trans-cinnamyl alcohol}, journal = {Arkivoc}, year = {2008}, month = {JAN}, pages = {302-310}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
A novel stereoselective synthesis of (S)-dapoxetine starting from commercially available trans-cinnamyl alcohol is described. Sharpless Asymmetric Epoxidation (SAE) is utilized as the key step in this synthetic strategy.
}, keywords = {(S)-dapoxetine, antidepressant, Sharpless asymmetric epoxidation, stereoselective synthesis}, issn = {1424-6376}, author = {Venkatesan, K. and Srinivasan, K. V.} } @article { ISI:000253170200010, title = {Stereoselective synthesis of the C33-C44 fragment of palau{\textquoteright}amide}, journal = {Tetrahedron Letters}, volume = {49}, number = {5}, year = {2008}, month = {JAN}, pages = {786-789}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient stereoselective synthesis of the C33-C44 fragment of palau{\textquoteright}amide is described using a Sharpless asymmetric epoxidation, a regioselective nucleophilic ring opening of the epoxide, a Grignard reaction and a Luche stereoselective reduction of a keto compound as the key steps. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Cytotoxic, Luche{\textquoteright}s stereoselective reduction, palau{\textquoteright}amide, Sharpless asymmetric epoxidation, Stereoselective}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.11.200}, author = {Mohapatra, Debendra K. and Nayak, Sabita} } @article {42823, title = {Stochastic modeling of biological reactions}, journal = {Journal of the Indian Institute of Science}, volume = {88}, year = {2008}, month = {JAN}, pages = {45-55}, abstract = {
Several biological systems comprise of reaction networks where the low number of molecules makes it inappropriate to completely characterize system behavior using a continuous approach. Biological systems are also characterized by discrete states (e.g. infected, dead) that are not amenable to the use of a continuous descriptor. This review discusses the need for adopting a discrete stochastic modeling approach for analyzing biological reactions networks. Various stochastic simulation procedures and theoretical studies are presented. The challenges in the theoretical and computational analysis of discrete stochastic biological reaction networks are discussed.
}, author = {Gadgil, Chetan J.} } @article { ISI:000261163000013, title = {Structural elucidation of propargylated products of 3-substituted-1,2,4-triazole-5-thiols by NMR techniques}, journal = {Magnetic Resonance in Chemistry}, volume = {46}, number = {12}, year = {2008}, month = {DEC}, pages = {1168-1174}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
Propargylation of 3-substituted-1,2,4-triazole-5-thiols, which predominantly exist as their thione tautomers, was carried out with the view to synthesize different heterocycles and study their biological activity. Three different products namely, a mono S-propargyl and two S,N-dipropargyl regioisomers, arising from N1/N2 substitution, were isolated and characterized. Unambiguous structural elucidation of the regioisomers of S,N-dipropargyl derivatives was achieved by means of (13)C-(1)H HMBC technique. The proportion of the regioisomers was found to vary with the substituent on the 1,2,4-triazole thiols. No product corresponding to N4 substitution was isolated from any of the reactions carried out. Copyright (C) 2008 John Wiley \& Sons, Ltd.
}, keywords = {(1)H NMR, (13)C NMR, (15)N NMR, 1, 2, 4-triazoles, HMBC, NMR, Regioisomers}, issn = {0749-1581}, doi = {10.1002/mrc.2307}, author = {Chaudhary, Preeti M. and Chavan, Sayalee R. and Kavitha, M. and Maybhate, Shailaja P. and Deshpande, Sunita R. and Likhite, Anjali P. and Rajamohanan, P. R.} } @article { ISI:000261133600023, title = {Structural features of Penicillin acylase adsorption on APTES functionalized SBA-15}, journal = {Microporous and Mesoporous Materials}, volume = {116}, number = {1-3}, year = {2008}, month = {DEC}, pages = {157-165}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The immobilization of Penicillin acylase (PGA) enzyme (which belongs to the Ntn hydrolase super family) into the amino-functionalized SBA-15 mesoporous molecular sieve is carried out to see the effect of silica as a host matrix on the enzyme kinetics. Physicochemical characterization by nitrogen adsorption, powder XRD and TEM methods indicate that the characteristic hexagonal features and the original pore structure of the parent SBA-15 is retained even after the incorporation of PGA. The adsorption of PGA on SBA15 shows a dependence on the pore volume and the composition of the adsorbent. The maximum loading of the enzyme was observed at pH 7.8, slightly below the isoelectric point of the enzyme. The loading capacity of immobilized PGA is 34 mg protein per 0.5 g of SBA-15. The trapped enzyme is more stable than the soluble form to temperature and pH environments and retained 73\% of its activity after immobilization. This enhanced stability is attributed to the protective nature of the cage itself and to the rigidity of the SiO(2) matrix, which reduces the freedom of peptide-chain refolding of molecular motions that occur in denaturation processes. The strength of binding is very strong; however, the activity of the immobilized enzyme is then simply restored with very little leakage of enzyme from the support. An important feature of the immobilized PGA enzyme is the excellent reusability without significant loss in activity, which indicates potentially exciting industrial/biomedical application of this support. (C) 2008 Elsevier Inc. All rights reserved.
}, keywords = {Penicillin G acylase, PGA immobilized SBA-15, pH and temperatures stability, SBA-15}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.03.030}, author = {Shah, Pallavi and Sridevi, N. and Prabhune, Asmita and Ramaswamy, Veda} } @article { ISI:000260776800015, title = {Structure and microbial synthesis of sub-10 nm Bi2O3 nanocrystals}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {8}, year = {2008}, month = {AUG}, pages = {3909-3913}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
After the advent of novel chemical and microbial techniques, providing control over grain size and shape of the nanomaterials, several binary-oxide materials have been explored in size less than 10 nm for their tunable physical properties. Bi2O3 nanoparticles have also redrawn attention due to their excellent properties, mostly as optoelectronic material. Here, we report the room-temperature biosynthesis of Bi2O3 nanoparticles in a size range of 5-8 nm by extra-cellularly challenging the plant pathogenic fungus-Fusarium oxysporum with the bismuth nitrate as precursor. The as-synthesized particle-surfaces are inherently functionalized by a robust layer of proteins which provides them very good stability in the aqueous medium. Structural investigation using selected area electron diffraction, high resolution transmission electron microscopy and powder XRD shows that particles are almost perfectly single crystalline and primarily crystallize in alpha-phase with monoclinic structure.
}, keywords = {Biosynthesis, fungi, High Refractive Index, High Resolution TEM, Nanoparticles}, issn = {1533-4880}, doi = {10.1166/jnn.2008.179}, author = {Uddin, Imran and Adyanthaya, Suguna D. and Syed, Asad and Selvaraj, K. and Ahmad, Absar and Poddar, Pankaj} } @article { ISI:000252940800007, title = {Structure sensitivity of nano-structured CdS/SBA-15 containing Au and PtCo-catalysts for the photocatalytic splitting of water}, journal = {Catalysis Letters}, volume = {121}, number = {3-4}, year = {2008}, month = {MAR}, pages = {226-233}, publisher = {SPRINGER}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
Photocatalysts containing nanocrystallites of cadmium sulphide dispersed in the channels of mesoporous silicate SBA-15 exhibited enhanced activity for visible-light mediated splitting of water, as compared to bulk CdS. Whereas the incorporation of 1 wt.\% Pt co-catalyst in CdS/SBA-15 led to a substantial increase in H-2 yield, Au at similar loading resulted in marginally decreased activity. The results indicate that the photocatalytic activity of CdS crystallites is structure sensitive. Similarly, the role of a noble metal may be associated with the particle size dependent micro-structural features, rather than its electronic properties such as the work function or the heat of adsorption of reactant or product molecules.
}, keywords = {nano-structured cadmium sulphide, Photocatalysis, role of noble metal co-catalyst, Splitting of water, structure sensitivity}, issn = {1011-372X}, doi = {10.1007/s10562-007-9319-y}, author = {Lunawat, Puja S. and Kumar, Rajiv and Gupta, Narendra M.} } @article { ISI:000253563900018, title = {Structure-activity relationship of a hemagglutinin from Moringa oleifera seeds}, journal = {International Journal of Biological Macromolecules}, volume = {42}, number = {2}, year = {2008}, month = {MAR}, pages = {203-207}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The hemagglutinin from the seeds of Moringa oleifera (MoL) agglutinates human as well as rabbit erythrocytes; the affinity for the latter is almost 250 times more than that for the former. MoL was inhibited by glycoproteins namely thyroglobulin, fetuin and holotransferin indicating the complex sugar specificity of the lectin. The protein is a homodimer with molecular mass of 14 kDa, subunits (7.1 kDa) linked by the disulfide bond(s). The secondary structure elements of MoL area-helix, 28\%; beta-sheet, 23\%; turn 20\% and unordered 28\%. While the activity and secondary structure were not affected at extreme pH and high temperature, they were drastically affected in presence of dithiothreitol at and above pH 7.0, indicating that disulfide linkages hold the active conformation of the protein. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {disulfide linkages, Moringa oleifera hemagglutinin, Secondary structure}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2007.10.024}, author = {Katre, Uma V. and Suresh, C. G. and Khan, Mohammad Islam and Gaikwad, Sushama M.} } @article { ISI:000258108200006, title = {Studies in structural characterization and correlation with the catalytic activity of an efficient and stable WOx/SBA-15 nanocomposite catalyst}, journal = {Journal of Catalysis}, volume = {257}, number = {2}, year = {2008}, month = {JUL}, pages = {283-290}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
A new WOx/SBA-15 nanocomposite catalyst system was developed by hydrothermal synthesis. The material was characterized by X-ray diffraction, high-resolution transmission electron microscopy, sorption analysis, FT-IR, CP-MAS NMR, XPS, and energy-dispersive X-ray analysis. Various types of aromatic and aliphatic sulfides were selectively oxidized to sulfoxides in good to excellent yields without becoming overoxidized to the sulfones using 70\% aq. tert-butyl hydrogen peroxide in the presence of nanocomposite catalyst at room temperature. The catalyst could be easily recovered and reused for at least eight reaction cycles under the reaction conditions described here with no significant loss of reactivity. (c) 2008 Elsevier Inc. All rights reserved.
}, keywords = {catalytic oxidation, mesoporous materials, Sulfides, Sulfoxides, tungsten oxide nanocluster}, issn = {0021-9517}, doi = {10.1016/j.jcat.2008.05.015}, author = {Bordoloi, Ankur and Halligudi, Shivaraj B.} } @article { ISI:000256285600005, title = {Studies on optimization of cultural conditions and effect of media constituents on production of intracellular penicillin V acylase from Erwinia aroideae (DSMZ 30186)}, journal = {Research Journal of Biotechnology}, volume = {3}, number = {2}, year = {2008}, month = {MAY}, pages = {26-30}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {
Penicillin V acylase (PVA) is a pharmaceutically important enzyme. Erwinia aroideae (DSMZ 30186) produced high levels of intracellular penicillin V acylase. Amongst various carbon sources used (2.0 \%); fructose, galactose, sucrose and mannitol increased enzyme production up to 579, 544, 534 and 504 IU/g dry weight (DW), respectively, compared to minimal media (263 IU/g DW); however maximum PVA productivity (2796 IU/ L) was achieved using fructose. Ammonium ions escalated the enzyme production to 1266.9 IU/g DW; however sodium glutamate was the best nitrogen source for overall productivity of enzyme (2045 IU/ L). Cornsteep liquor and skim milk were used as supplements; 1.0 \% cornsteep liquor and 3.0 \% skim milk were optimum for the production of PVA up to 823 and 93 IU/g DW, respectively. Optimum cultural conditions for the production of PVA from E. aroideae were standardized. Erwinia aroideae produced 1543 IU/g DW penicillin V acylase in Erlenmeyer flasks (250 ml) containing 50 ml of minimal medium with 0.3\% ammonium sulphate, pH 7. 0 at 28 degrees C and 180 rpm when incubated for 56 hr.
}, keywords = {carbon sources, Erwinia aroideae, intracellular, nitrogen sources, Penicillin V acylase}, issn = {0973-6263}, author = {Atul, Kumar and Vivek, Lonkar and Archana, Pundle} } @article { ISI:000262306600016, title = {Studies on the effect of glass transition on the crystalline transition in syndiotactic polystyrene - solvent complexes}, journal = {Macromolecular Symposia}, volume = {273}, year = {2008}, note = {7th Conference on Polymer Solvent Complexes and Intercalates, Marrakech, MOROCCO, MAY 21-23, 2008}, month = {NOV}, pages = {109-114}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Amorphous syndiotactic polystyrene (sPS) was crystallized at room temperature in Norbornadiene (bicyclo[2,2,1]-hepta-2,5-diene), Mesitylene (1,3,5-Trimethyl benzene), 3-Carene (3,7,7-trimethyl bicyclo[4,1,0]hept-3-ene) and DMN (1,4-Dimethylnaphthalene) to form the sPS-solvent complex (h form) with respective solvent molecules. In situ HTFTIR studies showed that the delta form to gamma form transformation temperature occurs well below the glass transition temperature of sPS, which is depressed due to the presence of solvent in the amorphous phase; higher the solvent content in the complex, lower the transition temperature. Glass transition temperatures determined by Modulated differential scanning calorimetry (MDSC) coincide with the transition temperatures, indicating that the delta form transforms into gamma form at the glass transition temperature for these complexes. Such a behavior is very different from the behaviour of the sPS- solvent complexes formed by dichloromethane, chloroform, toluene, o-dichlorobenzene, decalin (cis-trans) etc. and for these complexes the transition occur well above the T(g).
}, keywords = {Crystallization, glass transition, infrared spectroscopy, Syndiotactic polystyrene}, issn = {1022-1360}, doi = {10.1002/masy.200851315}, author = {Naidu, Sudhakar and Ramesh, N. C.} } @article { ISI:000256004800004, title = {Studies on the synthesis and unusual behavior of vinyl sulfone-modified hexenopyranosylthymines}, journal = {Carbohydrate Research}, volume = {343}, number = {7}, year = {2008}, month = {MAY}, pages = {1163-1170}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Although vinyl sulfone-modified- (VSM) pent-2-enofuranosyl nucleosides 2 and hex-2-enopyranosyl glycoside 4 are easily synthesized from the corresponding mesylated sulfones le and 3c, respectively, via an oxidation-mesylation-elimination route, the 3{\textquoteright}-C-sulfonyl-hex-2{\textquoteright}-enopyranosylthymine 11 is not obtained from 10 and a glycal derivative 12 is formed instead. On the other hand, 3-C-sulfonyl-hex-3{\textquoteright}-enopyranosylthymine 20 is easily synthesized from the mesylated sulfone 19. Again unlike the reaction patterns of VSM-pent-T-enofuranosyl nucleosides 2 and hex-2-enopyranosyl glycosides 4 as Michael acceptors, the reactions of nucleophiles with 3{\textquoteright}-C-sulfonyl-hex-3{\textquoteright}-enopyranosylthymine 20 yielded a rearranged product 21 instead of Michael adducts. (c) 2008 Published by Elsevier Ltd.
}, keywords = {glycal, hexopyranosyl nucleosides, Michael addition, unsaturated nucleosides, vinyl sulfone-modified nucleosides}, issn = {0008-6215}, doi = {10.1016/j.carres.2008.02.016}, author = {Deshpande, Sachin G. and Suresh, Cheravakkattu G. and Pathak, Tanmaya} } @proceedings {43362, title = {Studies on ZnO based diluted magnetic semiconductors}, volume = {3}, year = {2008}, month = {MAR}, pages = {373-378}, publisher = {Minerals, Metals \& Materials Soc, 184 Thorn Hill Rd, Warrendale, PA 15086-7514 USA}, address = {New Orleans, LA}, abstract = {
The observation of ferromagnetism in the transition metal (TM) doped wide band gap nonmagnetic semiconductor ZnO opened up a new area of research because of the potential applications in spintronics devices. These ZnO based diluted magnetic semiconductors (DMS) combine their transport and optical properties with magnetism. We have carried out synthesis and studies on the magnetic and optical properties on TM doped ZnO powders in nanocrystalline form. Our studies give evidence for the origin of ferromagnetism as extrinsic due to the presence of metal nanoclusters as secondary phases in the Co and Ni doped ZnO systems although the optical and electronic structure studies indicate the incorporation of divalent metal ions inside the ZnO crystal lattice.
}, author = {Deka, Sasanka and Joy, P. A.} } @article { ISI:000252354300005, title = {Study of a laboratory-scale froth flotation process using artificial neural networks}, journal = {Mineral Processing and Extractive Metallurgy Review}, volume = {29}, number = {2}, year = {2008}, month = {DEC}, pages = {130-142}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A three-layer feed-forward artificial neural network (ANN) model, trained using the error back propagation algorithm, has been established to simulate the froth flotation process for the beneficiation of coal fines. The network model validates the experimentally observed qualitative and quantitative trends. The optimal model parameters in terms of network weights have been estimated and can be used to compute the parameters of the coal flotation process over wide-ranging experimental conditions.
}, keywords = {back propagation algorithm, froth flotation, laboratory-scale, neural network}, issn = {0882-7508}, doi = {10.1080/08827500701421912}, author = {Kalyani, V. K. and Pallavika and Chaudhuri, Sanjay and Charan, T. Gouri and Haldar, D. D. and Kamal, K. P. and Badhe, Yogesh P. and Tambe, S. S. and Kulkarni, B. D.} } @article { ISI:000252926700002, title = {Study of papain-cystatin interaction by intensity fading MALDI-TOF-MS}, journal = {Protein Journal}, volume = {27}, number = {1}, year = {2008}, month = {JAN}, pages = {7-12}, publisher = {SPRINGER}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {
Intensity fading (IF) matrix assisted laser desorption ionization (MALDI) time of flight (TOF) mass spectrometry (MS ) has become an alternative screening approach for the affinity-binding analysis of proteins and peptides with molecular ligands. In this investigation an attempt has been made to study the protein ligand interaction by intensity fading (IF) MALDI-MS using papain and cystatin as model system for protein-ligand interactions. The intensity fading of cystatin was monitored using various concentration of cystatin ranging from (1 to 8.6 mu M) in presence of target protein, papain. The results indeed indicate that the intensity of cystatin decreases upon addition of papain. Furthermore, for the first time we have used IF-MALDI-MS for determining the number of binding sites for cystatin on papain by Scatchard analysis.
}, keywords = {intensity fading, MALDI, papain-cystatin, protein-ligand interaction, Scatchard plot}, issn = {1572-3887}, doi = {10.1007/s10930-007-9102-3}, author = {Shabab, M. and Kulkarni, Mahesh J. and Khan, Mohammad Islam} } @article { ISI:000256183700006, title = {Sulfamic acid: an efficient and cost-effective solid acid catalyst for the synthesis of alpha-aminophosphonates at ambient temperature}, journal = {Catalysis Communications}, volume = {9}, number = {9}, year = {2008}, month = {MAY}, pages = {1822-1826}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Sulfamic acid catalyzed solvent-free protocol has been developed for the synthesis of alpha-aminophosphonates by three component condensation between aldehydes, amines and diethyl phosphite at ambient temperature. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {alpha-Aminophosphonates, diethylphosphite (DEP), solid acid catalyst, Solvent-free, sulfamic acid (SA)}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.02.011}, author = {Mitragotri, Satish D. and Pore, D. M. and Desai, Uday V. and Wadgaonkar, P. P.} } @article { ISI:000257381600004, title = {Sulfur nanoparticles synthesis and characterization from H2S gas, using novel biodegradable iron chelates in w/o microemulsion}, journal = {Nanoscale Research Letters}, volume = {3}, number = {6}, year = {2008}, month = {JUN}, pages = {221-229}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Sulfur nanoparticles were synthesized from hazardous H2S gas using novel biodegradable iron chelates in w/o microemulsion system. Fe3+-malic acid chelate (0.05 M aqueous solution) was studied in w/o microemulsion containing cyclohexane, Triton X-100 and n-hexanol as oil phase, surfactant, co-surfactant, respectively, for catalytic oxidation of H2S gas at ambient conditions of temperature, pressure, and neutral pH. The structural features of sulfur nanoparticles have been characterized by X-ray diffraction (XRD), transmission electron microscope (TEM), energy dispersive spectroscopy (EDS), diffused reflectance infra-red Fourier transform technique, and BET surface area measurements. XRD analysis indicates the presence of alpha-sulfur. TEM analysis shows that the morphology of sulfur nanoparticles synthesized in w/o microemulsion system is nearly uniform in size (average particle size 10 nm) and narrow particle size distribution (in range of 5-15 nm) as compared to that in aqueous surfactant systems. The EDS analysis indicated high purity of sulfur (\> 99\%). Moreover, sulfur nanoparticles synthesized in w/o microemulsion system exhibit higher antimicrobial activity (against bacteria, yeast, and fungi) than that of colloidal sulfur.
}, keywords = {Antimicrobial activity, H2S gas, iron chelates, sulfur nanoparticles, w/o microemulsion}, issn = {1931-7573}, doi = {10.1007/s11671-008-9140-6}, author = {Deshpande, Aniruddha S. and Khomane, Ramdas B. and Vaidya, Bhalchandra K. and Joshi, Renuka M. and Harle, Arti S. and Kulkarni, Bhaskar D.} } @article { ISI:000260776800023, title = {Superparamagnetic nanocrystalline ZnFe2O4 with a very high curie temperature}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {8}, year = {2008}, month = {AUG}, pages = {3955-3958}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Studies on the magnetic properties of nanocrystalline ZnFe2O4 synthesized by an autocombustion method are reported. Superparamagnetic behavior is observed for the nanocrystalline materials with particle sizes of 8 nm and 17 nm, with superparamagnetic blocking temperatures of 65 K and 75 K, respectively. Magnetic hysteresis with very large coercivities of 533 Oe and 325 Oe, respectively, are observed at 12 K. Studies on the temperature variation of the magnetization above room temperature indicate that the Curie temperature is as high as similar to 800 K when compared to the paramagnetic nature of bulk zinc ferrite at room temperature.
}, keywords = {Curie temperature, Nanocrystalline, Superparamagnetism, Zinc Ferrite}, issn = {1533-4880}, doi = {10.1166/jnn.2008.201}, author = {Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000261546900021, title = {Suzuki cross-coupling and intramolecular aza-michael addition reaction sequence towards the synthesis of 1,10b-epi-7-deoxypancratistatins and their cytotoxicity studies}, journal = {European Journal of Organic Chemistry}, number = {34}, year = {2008}, month = {DEC}, pages = {5839-5847}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
The development of an efficient approach to the construction of a phenanthridone is described. The convergent strategy commences with the preparation of Suzuki cross-coupling reaction precursors, arylboronic acid 12 and a-iodo enone 14, from piperonylamine (9) and (-)-D-quinic acid (10), respectively. The coupling of 12 and 19 followed by a key intramolecular aza-Michael addition produced phenanthridone 21 featuring a cis-fused B-C ring junction. The syntheses of compounds 25 and 26, both of which are C-1 and C-10b epimers of the naturally occurring potent antitumor agent 7-deoxypancratistatin (2), from 21 are elaborated in detail in this paper. The cytotoxicities of 25 and 26 were evaluated against three different cancer cell lines. Compound 26 served as a moderate growth inhibitor of THP-1 monocytic cells (GI(50) = 14.5 mu g/mL). ((C) Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheim, Germany, 2008)
}, keywords = {antitumor agents, Chiral pool, Cross-coupling, Intramolecular aza-Michael addition, Pancratistatin}, issn = {1434-193X}, doi = {10.1002/ejoc.200800830}, author = {Pandey, Ganesh and Balakrishnan, Madhesan and Swaroop, Pandrangi Siva} } @article { ISI:000259973900047, title = {Suzuki cross-coupling/reductive debenzyloxycarbonylation sequence for the syntheses of [c]annulated isoquinolines: application for the syntheses of pancratistatin-like isoquinolines}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {20}, year = {2008}, month = {OCT}, pages = {8128-8131}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A two-step strategy involving Suzuki cross-coupling of boronic acids with a diverse array of alpha-iodoenones followed by hydrogenation is developed for the construction of [c]annulated isoquinolines. This mild and efficient procedure is also applied to the synthesis of highly oxygenated isoquinolines.
}, issn = {0022-3263}, doi = {10.1021/jo801761f}, author = {Pandey, Ganesh and Balakrishnan, Madhesan} } @article { ISI:000261281100001, title = {SVR-based prediction of point gas hold-up for bubble column reactor through recurrence quantification analysis of LDA time-series}, journal = {International Journal of Multiphase Flow}, volume = {34}, number = {12}, year = {2008}, month = {DEC}, pages = {1099-1107}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Recurrence quantification analysis (RQA) has emerged as a useful tool for detecting singularities in nonstationary time-series data. In this paper, we use RQA to analyze the velocity-time data acquired using laser doppler anemometry (LDA) signals in a bubble column reactor for Single point and Multipoint point spargers. The recurring dynamical states within the velocity-time-series occurring due to the bubble and the liquid passage at the point of measurement, are quantified by RQA features (namely \% Recurrence, \% Determinism, \% Laminarity and Entropy), which in turn are regressed using support vector regression (SVR) to predict the point gas hold-up values. It has been shown that SVR-based model for the bubble column reactor can be potentially useful for online prediction and monitoring of the point gas hold-up for different sparging conditions. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Bubble column, Gas hold-up, LDA, Recurrence quantification analysis (RQA), Support vector regression (SVR)}, issn = {0301-9322}, doi = {10.1016/j.ijmultiphaseflow.2008.07.001}, author = {Gandhi, Ankit B. and Joshi, J. B. and Kulkarni, A. A. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000254180300055, title = {Synthesis and antimicrobial activity of beta-lactam-bile acid conjugates linked via triazole}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {18}, number = {6}, year = {2008}, month = {MAR}, pages = {2043-2047}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Synthesis of novel 1,2,3-triazole-linked beta-lactam-bile acid conjugates 17-24 using 1,3-dipolar cycloaddition reaction of azido beta-lactam and terminal alkyne of bile acids in the presence of Cu( I) catalyst ( click chemistry) have been realized. These molecules were evaluated in vitro for their antifungal and antibacterial activities. Most of the compounds exhibited significant antifungal and moderate antibacterial activity against all the tested strains. (c) 2008 Elsevier Ltd. All rights reserved.
}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.01.102}, author = {Vatmurge, Namdev S. and Hazra, Braja G. and Pore, Vandana S. and Shirazi, Fazal and Chavan, Pradnya S. and Deshpande, Mukund V.} } @article { ISI:000260429100023, title = {Synthesis and biological evaluation of bile acid dimers linked with 1,2,3-triazole and bis-beta-lactam}, journal = {Organic \& Biomolecular Chemistry}, volume = {6}, number = {20}, year = {2008}, month = {OCT}, pages = {3823-3830}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report herein the synthesis and biological evaluation of bile acid dimers 11-18 linked through 1,2,3-triazole and bis-beta-lactam. The dimers 11-18 were synthesized using 1,3-dipolar cycloaddition reaction of diazido bis-beta-lactams 3, 4 and terminal alkynes 7-10 derived from cholic acid/deoxycholic acid in the presence of Cu(I) catalyst (click chemistry). These novel molecules were evaluated in vitro for their antifungal and antibacterial activity. Most of the compounds exhibited significant antifungal as well as antibacterial activity against all the tested fungal and bacterial strains. Moreover, their in vitro cytotoxicities towards HEK-293 and MCF-7 cells were also established.
}, issn = {1477-0520}, doi = {10.1039/b809221d}, author = {Vatmurge, Namdev S. and Hazra, Braja G. and Pore, Vandana S. and Shirazi, Fazal and Deshpande, Mukund V. and Kadreppa, Sreenath and Chattopadhyay, Samit and Gonnade, Rajesh G.} } @article { ISI:000262183900001, title = {Synthesis and characterization of high surface area CeO2-doped SnO2 nanomaterial}, journal = {Materials Chemistry and Physics}, volume = {112}, number = {3}, year = {2008}, month = {DEC}, pages = {719-722}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
In the present investigation the synthesis and characterization of high surface area CeO2-doped SnO2 nanomaterial has been reported. The material was synthesized by coprecipitation process combined with surfactant incorporating method. The concentration level of Ce (III) additive was varied systematically from 1 to 11 wt.\%. After calcinations at500 degrees C,a high BET surface area of 40 m(2)/g was obtained for 7 wt.\% CeO2. The effect of variation of sintering temperature (600-800 degrees C/2h) on the particle size and surface area of a CeO2/SnO2 system was investigated. The material obtained was nanocrystalline, having particle size in the range of 10-16 nm. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {CeO2:SnO2, Nanomaterials, sensors}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2008.06.022}, author = {Gambhire, A. B. and Lande, Machhindra K. and Kalokhe, S. B. and Shirsat, M. D. and Patil, K. R. and Gholap, Ramkrishna S. and Arbad, B. R.} } @article { ISI:000253740900005, title = {Synthesis and characterization of novel organo-montmorillonites}, journal = {Applied Clay Science}, volume = {38}, number = {3-4}, year = {2008}, month = {FEB}, pages = {203-208}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Sodium Montmorillonite (NaMMT) has been modified via cation exchange reaction using three different organic cations. Basal spacings, interlamellar structure and thermal stability of these organo-montmorillonites (OMMT) clays have been characterized using wide angle X-ray diffraction (WARD) and thermogravimetric analysis (TGA) techniques. Increase in the basal spacing due to organic modification is in good agreement with simple theoretical calculations based on van der Waals volume of the cationic ammonium ions. TGA characterization and analysis show that the amount of organic modifier in the OMMT{\textquoteright}s is in good agreement with theoretically calculated stoichiometric content expected for almost complete exchange of Na+ ions by organic cations. The OMMT{\textquoteright}s shows stepwise decomposition corresponding to initial weight loss from residual water desorption, followed by decomposition of the organic surfactant and the dehydroxylation of structural water of the montmorillonite layers. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Montmorillonite, organo-clays, organo-montmorillonite, surfactant}, issn = {0169-1317}, doi = {10.1016/j.clay.2007.05.008}, author = {Tiwari, Rajkiran R. and Khilar, Kartic C. and Natarajan, Upendra} } @article { ISI:000258981000008, title = {Synthesis and characterization of novel polybenzimidazoles bearing pendant phenoxyamine groups}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {46}, number = {17}, year = {2008}, month = {SEP}, pages = {5776-5793}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
A novel aromatic diacid, 3, 5-dicarboxyl-4{\textquoteright}-amino diphenyl ether, containing pendant phenoxy amine group was synthesized. Homo- and co-polybenzimidazoles containing different content of pendant phenoxyamine groups were synthesized by condensation of 3,3{\textquoteright}-diaminobenzidine with this acid and a mixture of this acid and isophthalic acid in different ratio in polyphosphoric acid. Copolybenzimidazoles with structural variations were also synthesized based on this acid and pyridine dicarboxylic acid, terephthalic acid, adipic acid, or sebacic acid. The polymers have good solubility in polar aprotic solvents and strong acids and they form tough flexible films by solution casting. The polymers were characterized by different instrumental techniques (FTIR, TGA, DSC, XRD, etc.) and for solvent solubility, mechanical properties, inherent viscosity, and proton conductivity. The inherent viscosities of the polymers vary in the range of 0.62-1.52 dL/g. They have high thermal stability up to 475506 degrees C (IDT) in nitrogen, high glass transition temperatures (T-g) ranging from 313 to 435 degrees C and good tensile strength ranging from 58 to 125 MPa. Proton conductivity of homo polymer is 3.72 x 10(-3) S/cm at 25 degrees C and 2.45 x 10(-2) S/cm at 200 degrees C (c) 2008 Wiley Periodicals, Inc.
}, keywords = {Characterization, copolybenzimidazoles, High performance polymers, high temperature materials, pendant phenoxyamine group, polybenzimidazoles, synthesis}, issn = {0887-624X}, doi = {10.1002/pola.22892}, author = {Kulkarni, Mahesh and Potrekar, Ravindra and Kulkarni, R. A. and Vernekar, S. P.} } @article { ISI:000258026000010, title = {Synthesis and characterizations of NiTiO(3) nanoparticles prepared by the sol-gel process}, journal = {Philosophical Magazine Letters}, volume = {88}, number = {6}, year = {2008}, month = {MAR}, pages = {467-472}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Nanocrystalline nickel titanate (NiTiO(3)) composite powders were prepared by the sol-gel process combined with a surfactant-assisted template method. The resulting powders were calcined at different temperatures ranging from 150 degrees C to 750 degrees C for 2 h in air. The results revealed that a pure hexagonal phase of NiTiO(3) could be obtained at the low temperature of 750 degrees C. The phase evolution of NiTiO(3) was investigated by X-ray diffraction patterns, Fourier-transform infrared spectroscopy, and X-ray photoelectron spectroscopy. Particle size and morphology were studied by transmission electron microscopy.
}, keywords = {Nanoparticles, nickel titanate, sol-gel process}, issn = {0950-0839}, doi = {10.1080/09500830802199709}, author = {Gambhire, A. B. and Lande, Machhindra K. and Kalokhe, S. B. and Mandale, A. B. and Patil, K. R. and Gholap, Ramkrishna S. and Arbad, B. R.} } @article { ISI:000254367800011, title = {Synthesis and corrosion protection study of poly(o-ethylaniline) coatings on copper}, journal = {Surface \& Coatings Technology}, volume = {202}, number = {12}, year = {2008}, month = {MAR}, pages = {2591-2602}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Poly(o-ethylaniline) coatings were synthesized on copper (Cu) by electrochemical polymerization of o-ethylaniline in an aqueous salicylate solution by using cyclic voltammetry. The characterization of these coatings was carried out by cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The results of these characterizations indicate that the aqueous salicylate solution is a suitable medium for the electrochemical polymerization of o-ethylaniline to generate strongly adherent and smooth poly(o-ethylaniline) coatings on Cu substrates. The performance of poly(o-ethylaniline) as protective coating against corrosion of Cu in aqueous 3\% NaCl was assessed by the potentiodynamic polarization technique and electrochemical impedance spectroscopy (EIS). The results of these studies demonstrate that the poly(o-ethylaniline) coating has ability to protect the Cu against corrosion. The corrosion potential was about 0.078 V versus SCE more positive in aqueous 3\% NaCl for the poly(o-ethylanitine) coated Cu (similar to 15 mu m thick) than that of uncoated Cu and reduces the corrosion rate of Cu almost by a factor of 70. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {conducting polymers, Copper, Corrosion resistant coatings, cyclic voltammetry, Electrochemical polymerization, poly(o-ethylaniline) coatings}, issn = {0257-8972}, doi = {10.1016/j.surfcoat.2007.09.025}, author = {Shinde, Vandana and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000257442900006, title = {Synthesis and FTIR spectroscopic investigation of the UV curing kinetics of telechelic urethane methacrylate crosslinkers based on the renewable resource-cardanol}, journal = {Journal of Applied Polymer Science}, volume = {109}, number = {5}, year = {2008}, month = {SEP}, pages = {2781-2790}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
UV curable telechelic urethane-methacrylate crosslinkers based on the natural resource-cardanol was synthesized in a one pot synthetic step involving end capping of isophorone diisocyanate with one equivalent of hydroxyethyl methacrylate followed by condensation with cardanol. The structures of the resins were characterized by H-1 and C-13 NMR, fourier transform infrared (FTIR) and Matrix-assisted laser desorption/ionization time of flight (MALDI-TOF) spectroscopies and size exclusion chromatography (SEC). The curing process and double bond conversion in presence of 2,2-diethoxy acetophenone as photo-initiator upon UV irradiation was followed by Fourier transform infrared spectroscopy. These hydrogen bonded crosslinkers based on cardanol and its derivatives had higher double bond conversion when compared to a nonhydrogen bonding standard such as hexanediol diacrylate (HDDA) under identical conditions. The temperature effects on the hydrogen bonding were investigated, and a decrease in the extent of double bond conversion with increase in temperature was observed for the telechelic urethane-methacrylate crosslinkers whereas a steady increase in the curing rate was observed for HDDA. This gives direct indication of the influence of hydrogen bonding on the curing process. (C) 2008 Wiley Periodicals, Inc.
}, keywords = {Cardanol, hydrogen bonding, infrared spectroscopy, renewable resource, UV curing}, issn = {0021-8995}, doi = {10.1002/app.28342}, author = {Rekha, N. and Asha, S. K.} } @article { ISI:000254416300052, title = {Synthesis and magnetic properties of barium-calcium hexaferrite particles prepared by sol-gel and microemulsion techniques}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {320}, number = {6}, year = {2008}, month = {MAR}, pages = {1095-1101}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The preparation of W-type hexaferrite particles with the composition BaCa2Fe16O27 by microemulsion and a stearic acid sol - gel method with and without surfactant has been investigated at various sintering temperatures. The structural and magnetic characteristics have been studied by X-ray diffraction ( XRD), a vibrating sample magnetometer ( VSM), scanning electron microscopy ( SEM), thermogravimetric analysis ( TGA), differential scanning calorimetric ( DSC) and Fourier transform infrared ( FTIR) techniques. The effect of sintering temperature on the properties of BaCa2Fe16O27 hexaferrites has been studied. The value of saturation magnetization ( M-s) depends on types of surfactant used. The sample prepared in the presence of polyoxyethylene ( 20) sorbitan monooleat ( Tween 80) shows low saturation magnetization ( M-s 15.10 emu/g), whereas the other sample prepared in the presence of a surfactant cetyltrimethylammonium bromide (CTAB) exhibits high saturation magnetization (M-s = 24.60 emu/g) compared to the normal sample. (C) 2007 Elsevier B. V. All rights reserved.
}, keywords = {BaCa2Fe16O27, hexaferrite, magnetic property, Microemulsion, Sol-gel method, surfactant}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2007.10.032}, author = {Jotania, R. B. and Khomane, Ramdas B. and Chauhan, C. C. and Menon, Shamal K. and Kulkarni, B. D.} } @article { ISI:000260062900021, title = {Synthesis and self-assembling properties of alpha,omega-hydroxy-poly(ethylene oxide) end-capped with 1-isocyanato-3-pentadecylcyclohexane}, journal = {Polymer}, volume = {49}, number = {21}, year = {2008}, month = {OCT}, pages = {4635-4646}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A novel hydrophobic compound, 1-isocyanato-3-pentadecylcyclohexane (PDC) issued from a renewable resource material (Cashew Nut Shell Liquid), is used to end-cap poly(ethylene oxide) (PEO) of different molecular weights. The synthesis, characterization and self-assembling properties of these new associating polymers are reported. In aqueous solution, PDC modified PEOs self-associate into micellar structures which are characterized by neutron scattering. Using a star-polymer model with sticky hard sphere interactions, it is shown that the characteristics of the micelles mainly depend on the size of the PEO chain. In the case of PDC stickers, the aggregation number decreases from 25 to 17 with increasing molecular weight of PEO, from 10 to 20 kg/mol, respectively. The temperature directly impacts the interaction potential between the hydrophilic coronas of PEO which become less repulsive with increasing temperature. Rheological measurements, performed in dilute solution, clearly demonstrate that PEO micelles self-associate into open supramolecular structures. The correlation length of these loose clusters increases with polymer concentration and the hierarchical self-assembly follows the rules of the percolation theory. The sol/gel transition takes place at the overlap concentration of clusters. In semi-dilute solution, the viscoelastic properties of PDC end-capped PEOs are well described by the Maxwell model with a single relaxation mode. The characteristic time of the network follows an Arrhenius temperature dependence with an activation energy of 70 kJ/mol, in very good agreement with the size of PDC stickers. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Associating polymer, Hydrophobically end-capped, poly(ethylene oxide), Star micelles}, issn = {0032-3861}, doi = {10.1016/j.polymer.2008.07.064}, author = {Kadam, Vijay S. and Badiger, Manohar V. and Wadgaonkar, Prakash P. and Ducouret, Guylaine and Hourdet, Dominique} } @article { ISI:000259684000003, title = {Synthesis and spectral studies of nitrogen-oxygen donor macrocyclic metal complexes of Mn(II), Cu(II) Zn(II), Pd(II) and Pt(II)}, journal = {Journal of the Indian Chemical Society}, volume = {85}, number = {9}, year = {2008}, month = {SEP}, pages = {896-900}, publisher = {SCIENTIFIC PUBL-INDIA}, type = {Article}, address = {5-A, NEW PALI RD, PO BOX 91, NEAR HOTEL TAJ HARI MAHAL, JODHPUR, 342 003, INDIA}, abstract = {
The complexes of Mn(II), Cu(II), Zn(II), Pd(II) and Pt(II) with a nitrogen-oxygen donor macrocyclic ligand, viz. 5,6,13,14-dibenzo[1,4,8,11]dioxadiaza-5,7,11,13-cyclotetradecin have been synthesized and characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, spectral and electrochemical studies. The molar conductance measurements of the complexes in DMF solution correspond to non electrolytic nature for M(L)X(2) complexes and 1 : 2 electrolytes for M {\textquoteleft}(L)X(2) Complexes [where M = Mn(II), Cu(II); M {\textquoteleft} = Zn(II), Pd(II) and Pt(II); X = Cl(-), NO(3)(-), and L = ligand]. Thus, the complexes may be formulated as [M(L)X(2)] and [M {\textquoteleft}(L)]X(2) respectively. Mn(II), Cu(II) complexes were of the high-spin type whereas the complexes of Zn(II), Pd(II) and Pt(II) were diamagnetic. On the basis of spectral studies an octahedral geometry has been assigned for Mull, tetragonal for Cull, tetrahedral for Zn(II) complexes whereas square planar for Pd(II) and Pt(II) complexes.
}, keywords = {Cu(II), macrocyclic, Mu(II), Pd(II), Pt(II), Zn(II)}, issn = {0019-4522}, author = {Chandra, Sulekh and Verma, Shweta and Meera, P.} } @article { ISI:000261329400004, title = {Synthesis, characterization and catalytic activity of Sn-SBA-15 mesoporous molecular sieves}, journal = {Catalysis Surveys from Asia}, volume = {12}, number = {4}, year = {2008}, month = {DEC}, pages = {283-309}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Our recent reports on the synthesis of Sn-incorporated mesoporous SBA-15 materials have been reviewed. The preparation of the samples with different Si/Sn ratios followed two procedures, the first is the post-synthesis modification of SBA-15 by impregnation with Sn chloride or acetate, and the second is the direct method in which Sn chloride was introduced in to Si precursor along with amphiphilic triblock copolymer, while varying the ratio of the synthesis gel. Detailed characterization of the Sn-SBA-15 samples by a variety of techniques shows how the synthesis procedures influence the properties of the samples that reflect on the differences in (a) the structural features, (b) morphology and textural properties, such as the pore characteristics, (c) the possible location of Sn4+ ions in the meso silica structure and their reducibility, (d) the nature of the Sn species and their the coordination sphere and (e) the acid-base characteristics. We developed a possible model for the localization of Sn species in SBA-15 pore structure for different conditions of preparation. This report includes our investigations on the catalytic properties of these Sn-SBA-15 samples in 3 industrially important reactions, viz., trans-esterification of diethyl malonate, synthesis of nopol by Prins condensation of beta-pinene with para-formaldehyde and the epoxidation of norbornene. In each of this reaction, while demonstrating the catalytic role of Sn species, we show that the requirement of the type and the environment of Sn species are different for these reactions.
}, keywords = {mesoporous materials, Properties of Sn-SBA-15, Sn-containing SBA-15, Sn-SBA-15 catalysts, Synthesis of Sn-SBA-15}, issn = {1571-1013}, doi = {10.1007/s10563-008-9060-6}, author = {Ramaswamy, Veda and Shah, Pallavi and Lazar, Karoly and Ramaswamy, A. V.} } @article { ISI:000255339200058, title = {Synthesis, characterization, and gas permeability of aromatic polyimides containing pendant phenoxy group}, journal = {Journal of Applied Polymer Science}, volume = {108}, number = {6}, year = {2008}, month = {JUN}, pages = {3881-3889}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
A diamine containing a pendant phenoxy group, 1-phenoxy-2,4-diaminobenzene, was synthesized and condensed with different aromatic dianhydrides [4,4{\textquoteright}-oxydiphthalic dianhydride, 4,4{\textquoteright}-(hexafluoroisopropylidene)diphthalic anhydride, 3,3{\textquoteright},4,4-benzophenone tetracarboxylic dianhydride, 3,3{\textquoteright},4,4{\textquoteright}-biphenyltetracorboxylic dianhydride, and pyromellitic dianhydride] by one-step synthesis at a high temperature in m-cresol to obtain polyimides in high yields. Most of the polyimides exhibited good solvent solubility and could be readily dissolved in chloroform, sym-tetrachloroethane, N,N-dimethylformamide, NN-dimethylacetamide, and nitrobenzene. Their inherent viscosities were in the range of 0.33-1.16 dL/g. Wide-angle X-ray spectra revealed that these polymers were amorphous in nature. All these polyimides were thermally stable, having initial decomposition temperatures above 500 degrees C and glass-transition temperatures in the range of 248-281 degrees C. The gas permeability of 4,4{\textquoteright}-oxydiphthalic dianhydride and 4,4{\textquoteright}-(hexafluoroisopropylidene)diphthalic anhydride based polyimides was investigated with pure gases: He, H-2, O-2, Ar, N-2, CH4, and CO2. A polyimide containing a -C(CF3)(2)- linkage showed a good combination of permeability and selectivity. (C) 2008 Wiley Periodicals, Inc.
}, keywords = {Gas permeation, membranes, polyimides, selectivity, structure-property relations}, issn = {0021-8995}, doi = {10.1002/app.28074}, author = {Kothawade, Sandeep S. and Kulkarni, Mahesh P. and Kharul, Ulhas K. and Patil, Anandrao S. and Vernekar, Subhash P.} } @article { ISI:000253181000037, title = {Synthesis, characterization of chemically deposited indium selenide thin films at room temperature}, journal = {Journal of Physics and Chemistry of Solids}, volume = {69}, number = {1}, year = {2008}, month = {JAN}, pages = {249-254}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Polycrystalline In2Se3 semiconducting thin films were prepared by using relatively simple chemical bath deposition method at room temperature by the reaction between indium chloride, tartaric acid, hydrazine hydrate and sodium selenosulphate in an aqueous alkaline medium. Various preparative conditions of thin film deposition are outlined. The as grown films were found to be transparent, uniform, well adherent and red in color. The films were characterized using X-ray diffraction (XRD), scanning electron microscopy, atomic absorption spectroscopy and energy dispersive atomic X-ray diffraction (EDAX). The XRD analysis of the film showed the presence of polycrystalline nature with hexagonal crystal structure. SEM study revels that the grains are homogenous, without cracks or pinholes and well covers the glass substrate. The optical absorption and electrical conductivity was measured. The direct optical band gap value for the films was found to be of the order of 2.35eV at room temperature and have specific electrical conductivity of the order of 10(-2) (Omega cm)(-1) showing n-type conduction mechanism. The utility of the adapted technique is discussed from the view-point of applications considering the optoelectric and structural data. (c) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {Chemical synthesis, Semiconductor}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2007.08.070}, author = {Asabe, M. R. and Chate, P. A. and Delekar, S. D. and Garadkar, K. M. and Mulla, Imtiaz S. and Hankare, P. P.} } @article { ISI:000253014900018, title = {Synthesis of 1,2,3-triazole and 1,2,3,4-tetrazole-fused glycosides and nucleosides by an intramolecular 1,3-dipolar cycloaddition reaction}, journal = {Organic \& Biomolecular Chemistry}, volume = {6}, number = {4}, year = {2008}, month = {JAN}, pages = {779-786}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Various 1,2,3-triazole and 1,2,3,4-tetrazole fused multi-cyclic compounds were synthesized from carbohydrate derived azido-alkyne and azido-cyanide substrates. The acid sensitive 1,2-O-isopropylidene group of the furanosyl sugar was utilized for diversification to glycosides and nucleosides under Fischer glycosidation and Vorbruggen{\textquoteright}s conditions, respectively.
}, issn = {1477-0520}, doi = {10.1039/b716996e}, author = {Anegundi, Ramakrishna I. and Puranik, Vedavati G. and Hotha, Srinivas} } @article { ISI:000257619700016, title = {Synthesis of (3S,4R)-4-benzylamino-3-methoxypiperidine, an important intermediate for (3S,4R)-Cisapride}, journal = {Tetrahedron}, volume = {64}, number = {30-31}, year = {2008}, month = {JUL}, pages = {7191-7198}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient synthesis of (3S,4R)-4-benzylamino-3-methoxypiperidine, an useful intermediate for the chiral synthesis of important drug molecule Cisapride and its analogs, from enantiopure 4-formylazetidin-2-one is described. Synthesis of trans as well as cis isomers of 4-amino-3-methoxypiperidine from 4-formylazetidin-2-one is also achieved in good yield. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {4-aminopiperidine, azetidin-2-ones, Cisapride, Staudinger reaction, stereoselective synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.05.090}, author = {Shirode, Nilesh M. and Likhite, Anjali P. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000259412500023, title = {Synthesis of alpha-amino phosphonates by three component condensation of carbonyl compound, amine, and dialkyl phosphite using Yttria-zirconia based Lewis acid catalyst}, journal = {Catalysis Letters}, volume = {125}, number = {3-4}, year = {2008}, month = {OCT}, pages = {315-319}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
An efficient Yttria-zirconia Lewis acid catalyzed one-pot synthesis of alpha-amino phosphonates by three component coupling reaction of a carbonyl compound amine and dialkyl phosphates is described in good to high yield.
}, keywords = {alpha-amino phosphonates, three component coupling, Yttria-zirconia based Lewis acid catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-008-9562-x}, author = {Ramalingam, S. and Kumar, Pradeep} } @article { ISI:000254135200020, title = {Synthesis of amphiphilic poly(methyl methacrylate-b-ethylene oxide) copolymers from monohydroxy telechelic poly(methyl methacrylate) as macroinitiator}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {46}, number = {6}, year = {2008}, month = {MAR}, pages = {2132-2144}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The synthesis of well-defined poly(methyl methacrylate)-block-poly(ethylene oxide) (PMMA-b-PEO) dibock copolymer through anionic polymerization using monohydroxy telechelic PMMA as macroinitiator is described. Living anionic polymerization of methyl methacrylate was performed using initiators derived from the adduct of diphenylethylene and a suitable alkyllithium, either of which contains a hydroxyl group protected with tert-butyldimethylsilyl moiety in tetrahydrofuran (THF) at -78 degrees C in the presence of LiClO4. The synthesized telechelic PMMAs had good control of molecular weight with narrow molecular weight distribution (MWD). The H-1 NMR and MALDI-TOF MS analysis confirmed quantitative functionalization of chain-ends. Block copolymerization of ethylene oxide was carried out using the terminal hydroxyl group of PMMA as initiator in the presence of potassium counter ion in THF at 35 degrees C. The PMMA-b-PEO diblock copolymers had moderate control of molecular weight with narrow MWD. The H-1 NMR results confirm the absence of trans-esterification reaction of propagating PEO anions onto the ester pendants of PMMA. The micellation behavior of PMMA-b-PEO diblock copolymer was examined in water using H-1 NMR and dynamic light scattering. (C) 2008 Wiley Periodicals, Inc.
}, keywords = {Anionic polymerization, block copolymers, synthesis}, issn = {0887-624X}, doi = {10.1002/pola.22548}, author = {Dhara, Mahua Ganguly and Baskaran, Durairaj and Sivaram, Swaminathan} } @article { ISI:000253450900027, title = {Synthesis of biodiesel over zirconia-supported isopoly and heteropoly tungstate catalysts}, journal = {Catalysis Communications}, volume = {9}, number = {5}, year = {2008}, month = {MAR}, pages = {696-702}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The liquid-phase synthesis of biodiesel by transesterification of sunflower oil with methanol is carried out by using zirconia-supported isopoly and heteropoly tungstates (HPAs) as catalysts. The isopoly and heteropoly tungstate catalysts were prepared by suspending zirconium oxyhydroxide in water/methanol solution of ammonium metatungstate/silicotungstic acid, phosphotungstic acid (WO3/HPA loading, 15\%,,) followed by drying and calcination at 750 degrees C. The catalysts were characterized by XRD, Raman spectroscopy, IR spectroscopy, NH3-TPD and FTIR pyridine adsorption spectroscopy. XRD results indicate that the presence of isopoly and heteropoly tungstates stabilizes ZrO2 in tetragonal phase. Raman and IR spectra of the catalysts show that tungstate species exist as zirconia-anchored octahedral mono-oxotungstate. The acidity measurements by NH3-TPD and FTIR pyridine adsorption spectroscopy show that zirconia-supported phosphotungstate has the highest total acidity and zirconia-supported isopoly tungstate has the highest Bronsted acidity. The zirconia-supported isopoly tungstate shows superior catalytic performance compared to zirconia-supported heteropoly tungstate catalysts. Under the reaction conditions of 200 degrees C and methanol/oil molar ratio 15, 15\% WO3/ZrO2 calcined at 750 degrees C gave 97\% conversion of oil. This catalyst also efficiently catalyzes methanolysis of other vegetable oils like mustard oil and sesame oil. The deactivated catalyst could be regenerated by calcination without appreciable loss in activity. (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Biodiesel, phosphotungstic acids, Silicotungstic acid, transesterification, tungsten oxide, Zirconia}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.08.007}, author = {Sunita, G. and Devassy, Biju M. and Vinu, Ajayan and Sawant, Dhanashri P. and Balasubramanian, Veerappan V. and Halligudi, Shivappa B.} } @article { ISI:000254222400007, title = {Synthesis of bismuth titanate (Bi4Ti3O12)powders via calcination of microwave-hydrothermally (MH) derived precursor}, journal = {Indian Journal of Engineering and Materials Sciences}, volume = {15}, number = {1}, year = {2008}, month = {FEB}, pages = {51-54}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
Micrometer sized platelet-like particles of bismuth titanate (Bi4Ti3O12) ire prepared successfully by the calcination of a mixed-precursor in air. The mixed precursor is precipitated Under microwave-hydrothermal (MH) treatment via dissolution-recrystallization kinetics. The mixed precursor is precipitated in-situ by giving MH treatment (at 200 degrees C, 200 psi, and 30 min hold time) to the hydrolysed slurry containing Bi and Ti cations. The slurry was prepared by adding 20\% aqueous KOH precipitant solution to a well-mixed stoichiometric nitrate solution containing Bi and Ti cations. XRD results revealed that the as-dried precursor consisted of a homogenous mixture of non-crystalline particles of Bi2O3 and TiO2. The calcination of the as-dried precursor at 700 degrees C/2 h in air resulted ill the formation of micron sized platelet like single-phase Bi4Ti3O12 powders having orthorhombic structure.
}, keywords = {Bi4Ti3O12, MH processing, SEM, XRD}, issn = {0971-4588}, author = {Khollam, Y. B. and Deshpande, S. B. and Samuel, V. and Potdar, H. S.} } @article { ISI:000259972800039, title = {Synthesis of chimeric tetrapeptide-linked cholic acid derivatives: impending synergistic agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {18}, number = {20}, year = {2008}, month = {OCT}, pages = {5512-5517}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Tetrapeptides derived from glycine and beta-alanine were hooked at the C-3 beta position of the modified cholic acid to realize novel linear tetrapeptide-linked cholic acid derivatives. All the synthesized compounds were tested against a wide variety of microorganisms (Gram-negative bacteria, Gram-positive bacteria and fungi) and their cytotoxicity was evaluated against human embryonic kidney (HEK293) and human mammary adenocarcinoma (MCF-7) cell lines. While relatively inactive by themselves, these compounds interact synergistically with antibiotics such as fluconazole and erythromycin to inhibit growth of fungi and bacteria, respectively, at 1-24 mu g/mL. The synergistic effect shown by our novel compounds is due to their inherent amphiphilicity. The fractional inhibitory concentrations reported are comparable to those reported for Polymyxin B derivatives. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Antimicrobial activity, Cholic acid, Cytotoxicity, Synergism, Tetrapeptide}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.09.013}, author = {Bavikar, Sudhir N. and Salunke, Deepak B. and Hazra, Braja G. and Pore, Vandana S. and Dodd, Robert H. and Thierry, Josiane and Shirazi, Fazal and Deshpande, Mukund V. and Kadreppa, Sreenath and Chattopadhyay, Samit} } @article {Council of Scientific and Industrial Research (CSIR), title = {Synthesis of five and six membered aminocyclitols: stereoselective michael and henry reaction approach with D-glucose derived alpha,beta-unsaturated ester}, journal = {Tetrahedron}, volume = {64}, number = {40}, year = {2008}, month = {SEP}, pages = {9574-9580}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The stereoselective intermolecular Michael addition of nitromethane to D-glucose derived alpha,beta-unSaturated ester 7 afforded L-ido-configurated nitroester 8 as the only product that on reduction of the ester functionality, cleavage of 1,2-acetonide and the intramolecular Henry reaction afforded exclusively muco-nitroinositol 9. While reduction of the ester functionality in 8, deprotection of 1,2-acetonide, oxidative cleavage with NaIO(4) and the intrarnolecular Henry reaction afforded nitrocyclopentitol 13. Nitrocyclitols 9 and 13 were converted to the hydroxyethyl substituted aminocyclohexitol 5 and aminocyclopentitol 6, respectively. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {aminocyclitols, carbohydrates, Henry reaction, Michael addition, nitroinositol}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.07.049}, author = {Chakraborty, Chaitali and Vyavahare, Vinod P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000252640600002, title = {Synthesis of gymnoascolide A}, journal = {Synthesis-Stuttgart}, number = {1}, year = {2008}, month = {JAN}, pages = {26-28}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Recently isolated 4-benzyl-3-phenylfuran-2,5-dione and antifungal gymnoascolide A have been synthesized using the chemoselective S(N)2{\textquoteright} coupling of phenylmagnesium bromide with dimethyl 2-(bromomethyl)fumarate, chemoselective allylic substitution of bromide in 3-(bromomethyl)-4-phenylfuran-2,5-dione with phenylmagnesium bromide and regioselective N-Selectride-induced reduction of 3-benzyl-4-phenylfuran-2,5-dione as the key reactions.
}, keywords = {dimethyl (bromomethyl)fumarate, functionalized maleic anhydrides, gymnoascolide A, regioselective reduction, S(N)2 {\textquoteleft} Grignard coupling reaction}, issn = {0039-7881}, doi = {10.1055/s-2007-990901}, author = {Baag, Md. Merajuddin and N. P. Argade} } @article { ISI:000252408000048, title = {Synthesis of LSMO at low temperature by novel hydroxide precursor technique}, journal = {Materials Letters}, volume = {62}, number = {3}, year = {2008}, month = {FEB}, pages = {527-529}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A novel technique of mixing individual hydroxide is employed to prepare La0.65Sr0.35MnO3 (LSMO) at low temperature. Freshly prepared lanthanum and manganese hydroxides are mixed thoroughly with strontium hydroxide in stoichiometric ratio and heated at different temperatures ranging from 100 to 500 degrees C for 6 h. At 500 degrees C, formation of La0.65Sr0.35MnO3 was confirmed by the X-ray diffraction studies (XRD). This is the lowest temperature so far reported in the literature. The particle size and morphology were investigated by scanning electron microscopy (SEM). (c) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Electron microscopy, La0.65Sr0.35MnO3, Oxides, Precipitation, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.05.077}, author = {Gupta, U. N. and Muthurajan, H. and Kumar, H. H. and Rao, N. Koteswara and Gokhale, Suresh P. and Ravi, V.} } @article {42773, title = {Synthesis of multifunctional nanogels using a protected macromonomer approach}, journal = {Colloid and Polymer Science}, volume = {286}, year = {2008}, month = {AUG}, pages = {1061-1069}, type = {Article}, doi = {10.1007/s00396-008-1883-1}, author = {Singh, Neetu and Lyon, L. Andrew} } @article { ISI:000256231200018, title = {Synthesis of norpandamarilactonines, pandamarilactonines, and pandanamine}, journal = {Synthesis-Stuttgart}, number = {9}, year = {2008}, month = {MAY}, pages = {1455-1459}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A facile route to naturally occurring (+/-)-norpandamarilactonines A and B, (+/-)-pandamarilactonines A-D, and pandanamine has been described from 3-methylfuran-2(5H)-one, with a reductive intramolecular aza-Michael-type addition as the key step.
}, keywords = {3-methylfuran-2(5H)-one, condensation, intramolecular aza-Michael reaction, pandamarilactonines}, issn = {0039-7881}, doi = {10.1055/s-2008-1072534}, author = {Gogoi, Sanjib and N. P. Argade} } @article { ISI:000261907900005, title = {Synthesis of novel 2-alkyl substituted oleobenzimidazole derivatives using ethylene glycol as solvent}, journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie}, volume = {86}, number = {11}, year = {2008}, month = {NOV}, pages = {1030-1033}, publisher = {NATL RESEARCH COUNCIL CANADA-N R C RESEARCH PRESS}, address = {BUILDING M 55, OTTAWA, ON K1A 0R6, CANADA}, abstract = {
The objective of this research was to conduct constructive organic chemistry by using ethylene glycol as an efficient solvent and to achieve yields that were comparable to or better than those in other media. The reaction parameters, such as temperature (150-200 degrees C), density, and reaction time (6 h), have been systematically studied to understand whether ethylene glycol is as an efficient solvent and can have a positive effect on the chemistry with good yields. By tuning the parameters, the yields have been optimized to around 70\%-80\%. Thus, a new class of 2-alkyl substituted oleo-benzimidazole derivatives have been synthesized and characterized by FTIR, (1)H NMR, (13)C NMR, MS, and elemental analysis.
}, keywords = {ethylene glycol, oleo-benzimidazole derivatives, oleochemistry, unusual fatty acids}, issn = {0008-4042}, doi = {10.1139/V08-152}, author = {Hosamani, K. M. and Hiremath, V. B. and Keri, R. S. and Harisha, R. S. and Halligudi, Shivaraj B.} } @article { ISI:000256114400005, title = {Synthesis of oleic acid capped copper nano-particles via reduction of copper salt by SFS}, journal = {Materials Chemistry and Physics}, volume = {110}, number = {1}, year = {2008}, month = {JUL}, pages = {21-25}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Synthesis of oleic acid capped copper nano-particles has been carried out by use of sodium formaldehyde sulfoxylate (SFS) in aqueous medium. Nano-copper can be effectively coated with polyvinyl alcohol (PVA). Phase-pure nano-Cu can be obtained when water/acetone was used as aqueous medium. It is observed that the surface plasmon resonance (SPR) phenomena can be controlled during synthesis by the use of suitable reagent system, e.g. absorption band in presence of PVA can be blue shifted. As-prepared copper nano-particles were characterized by X-ray diffraction measurements (XRD), Scanning electron microscopy (SEM), energy dispersive analysis of X-rays (EDAX), thermo gravimetric analysis (TGA) and Fourier transform infra-red spectroscopy (FTIR). XRD analysis revealed broad pattern for fcc crystal structure of copper metal. The particle size by use of Scherrer{\textquoteright}s equation was calculated to be about 20 nm. TGA revealed similar to 10\% weight loss due to the presence of surfactant. FTIR spectroscopy confirmed the presence of oleic acid around the particles. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Chemical synthesis, electronic materials, metals, Nanostructure}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2008.01.013}, author = {Khanna, P. K. and Kale, Trupti S. and Shaikh, Mushtaq and Rao, N. Koteswar and Satyanarayana, C. V. V.} } @article { ISI:000252970800002, title = {Synthesis of platinum Y-junction nanostructures using hierarchically designed alumina templates and their enhanced electrocatalytic activity for fuel-cell applications}, journal = {Chemistry of Materials}, volume = {20}, number = {3}, year = {2008}, month = {FEB}, pages = {601-603}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0897-4756}, doi = {10.1021/cm702102b}, author = {Mahima, Subhramanyam and Kannan, Ramaiyan and Komath, Indulekha and Aslam, Mohammed and Pillai, Vijayarnohanan K.} } @article { ISI:000257424800017, title = {Synthesis of polyhydroxy piperidines and their analogues: a novel approach towards selective inhibitors of alpha-glucosidase}, journal = {Organic \& Biomolecular Chemistry}, volume = {6}, number = {14}, year = {2008}, month = {JAN}, pages = {2587-2595}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Various polyhydroxy piperidine azasugars have been synthesized from precursors 18a and 18b, obtained in both enantiomeric forms from D-ribose. Out of these polyhydroxy piperidine azasugars, 22, 39 and 20 were found to be potent as well as selective inhibitors of a-glucosidase with K(i) values ranging as low as 1.07 mu M, 16.4 mu M, and 88.2 mu M, respectively. Replacement of the hydroxy methylene moiety of 19 (K(i) 33\% at 1 mM) by an amino methylene moiety (32, K(i) 36.8 mu M) showed a remarkable increase in the activity (almost 30 times). Furthermore, increasing the lipophilicity of 33 by N-alkylation with a dodecyl group (36) showed a three-fold enhancement in the activity (K(i) 217 mu M to K(i) 72.3 mu M).
}, issn = {1477-0520}, doi = {10.1039/b804278k}, author = {Pandey, Ganesh and Bharadwaj, Kishor Chandra and Khan, Mohammad Islam and Shashidhara, K. S. and Puranik, Vedavati G.} } @article { ISI:000260095800003, title = {Synthesis of substituted styrenes and stilbenes mediated by palladium on zirconia}, journal = {Journal of Chemical Research-S}, number = {9}, year = {2008}, month = {SEP}, pages = {495-499}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {
Palladium on zirconia has been found to be an effective catalyst for the synthesis of various substituted styrenes and stilbenes, including biologically active natural products, by reaction of aryl halides with olefins.
}, keywords = {heterogeneous catalyst, palladium on zirconia, stilbenes, styrenes}, issn = {0308-2342}, doi = {10.3184/030823408X340807}, author = {Borate, Hanumant B. and Dumbre, Deepa K. and Wakharkar, Radhika D. and Choudhary, Vasant R.} } @article { ISI:000255342400008, title = {Synthesis of the C14-C29 segment of amphidinolide U utilizing a tandem dihydroxylation-S(N)2 cyclization protocol}, journal = {Synlett}, number = {6}, year = {2008}, month = {APR}, pages = {837-840}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
The synthesis of the C14-C29 subunit of amphidinolide U is described. The key steps include the trans-2,5-disubstituted tetrahydrofurans via a highly diastereoselective and high yielding tandem dihydroxylation-S(N)2 cyclization, Wittig reaction, and Nozaki-Hiyama-Kishi coupling reaction.
}, keywords = {amphidinolide U, Cytotoxic, Nozaki-Hiyama-Kishi coupling, tandem dihydroxylation-S(N)2 cyclization, Wittig reaction}, issn = {0936-5214}, doi = {10.1055/s-2008-1042931}, author = {Mohapatra, Debendra K. and Rahaman, Hasibur} } @article { ISI:000262196200011, title = {Synthesis of tryptanthrin and deoxyvasicinone by a regioselective lithiation-intramolecular electrophilic reaction approach}, journal = {Arkivoc}, year = {2008}, month = {JAN}, pages = {100-U9}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
An efficient synthesis of the 4(3H)-quinazolinone-based alkaloids, tryptanthrin and deoxyvasicinone has been achieved in good overall yields by using the strategy of regioselective lithiation-intramolecular electrophilic reaction as a key-step. Both the molecules have been synthesized in just two-steps from readily available starting materials.
}, keywords = {4(3H)-Quinazolinone heterocycles, deoxyvasicinone, lithiation-intramolecular electrophilic reaction, tryptanthrin}, issn = {1424-6376}, author = {Potewar, Taterao M. and Ingale, Sachin A. and Srinivasan, Kumar V.} } @article { ISI:000257533800025, title = {Synthesis, structure and reactivity of azosalophen complexes of palladium}, journal = {Polyhedron}, volume = {27}, number = {9-10}, year = {2008}, month = {JUN}, pages = {2209-2215}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The ligands 2-(arylazo)-1-N-salicylidene phenylamine, H(2)L(sal), (where H represents the dissociable protons upon complexation) afford stable orthopalladated complexes, [(L(sal))Pd], upon treatment with Na(2)[PdCl(4)]. The dinegative anionic (L(sal))(2-) ligands bind Pd(II) in a tetradentate (C, N, N, O) fashion with a distorted square planar geometry. The newly synthesized palladium complexes underwent oxygen insertion into the Pd-C bond with mCPBA (m-chloroperbenzoic acid) or TBHP (terbutylhydroperoxide)/[VO(acac)(2)] leading to the formation of stable azosalophen complexes of Pd(II) with the (O, N, N, O) coordination mode of the oxygenated ligand. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {2-(arylazo)-1-N-salicylidene phenylamine, azosalophen complex, orthopalladation, oxygen insertion}, issn = {0277-5387}, doi = {10.1016/j.poly.2008.03.028}, author = {Pattanayak, Poulami and Pratihar, Jahar Lal and Patra, Debprasad and Puranik, Vedavati G. and Chattopadhyay, Surajit} } @article { ISI:000261466800007, title = {Tandem aza-michael-condensation-aldol cyclization reaction: approach to the construction of DE synthon of (+/-)-camptothecin}, journal = {Synlett}, number = {18}, year = {2008}, month = {NOV}, pages = {2781-2784}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
An efficient synthesis of the DE ring of camptothecin, employing a Reformatsky and a tandem one-pot, three-step transformation involving aza-Michael reaction, condensation with ethyl malonyl chloride followed by intramolecular {\textquoteleft}aldol{\textquoteright} reaction to furnish the dihydropyridone derivative from commercially available starting materials, has been achieved.
}, keywords = {Aldol cyclizations, alkaloids, antitumor, Natural products, Reformatsky reaction}, issn = {0936-5214}, doi = {10.1055/s-0028-1083539}, author = {Chavan, Subhash P. and Dhawane, Abasaheb N. and Kalkote, Uttam R.} } @article { ISI:000256597700001, title = {Tandem non-polymerizing strategy to higher order acrylamide oligomers; potential intermediates for conformational correlations of poly-N-acrylamides}, journal = {New Journal of Chemistry}, volume = {32}, number = {6}, year = {2008}, month = {FEB}, pages = {909-912}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This letter describes an efficient tandem non-polymerization strategy to deliver higher order N-acrylamide oligomers. These oligomers, accessible in an one-pot procedure, are potential intermediates for the correlation of stereochemistry (tacticity) with conformation and hydrogen bonding propensities in poly (oligo) N-acrylamides.
}, issn = {1144-0546}, doi = {10.1039/b802471e}, author = {Kendhale, Amol M. and Rajamohanan, Pattuparampil R. and Sanjayan, Gangadhar J.} } @article { ISI:000254851800003, title = {Tandem synthesis of beta-amino alcohols from aniline, dialkyl carbonate, and ethylene glycol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {47}, number = {8}, year = {2008}, month = {APR}, pages = {2484-2494}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An efficient tandem route for selective synthesis of beta-amino alcohols from anilines, dialkyl carbonate and ethylene glycol in the presence of recyclable Na-Y zeolite has been demonstrated. Transesterification of dialkyl carbonate by ethylene glycol produce ethylene carbonate which further reacts with aniline to give beta-amino alcohols in a single step. This reaction system was studied under high-pressure as well as pot reaction condition. Various process parametric effects were investigated for the reaction of aniline, dialkyl carbonate, and ethylene glycol. It was observed that a maximum 51\% yield of mono-beta-amino alcohol, i.e., N-phenylethanolamine (NPEA). is obtained under pressure conditions. The yield of NPEA was improved drastically (\>91\%) by carrying out the reaction under pot conditions using diethyl carbonate as transesterification agent. Finally activity and selectivity of solid catalyst was explained on the basis of nature of active sites and pore structure of the catalyst.
}, issn = {0888-5885}, doi = {10.1021/ie070617q}, author = {Shivarkar, Anandkumar B. and Gupte, Sunil P. and Chaudhari, Raghunath V.} } @article { ISI:000259829900004, title = {T-antigen binding lectin with antibacterial activity from marine invertebrate, sea cucumber (Holothuria scabra): possible involvement in differential recognition of bacteria}, journal = {Journal of Invertebrate Pathology}, volume = {99}, number = {2}, year = {2008}, month = {OCT}, pages = {141-145}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
In invertebrates, cellular and humoral components are evolved to maintain their body immunity and integrity. Both these factors respond to different antigens such as microorganisms, vertebrate erythrocytes and foreign proteins. In this article, we report a study of a lectin (HSL) involved in immune response in the echinoderm, sea Cucumber (Holothuria scabra). Correlative studies indicate that the expression of this defensive lectin is induced by bacterial challenge, wherein cell wall glycoconjugates of bacteria are involved in lectin induction. HSL showed strong broad spectrum antibacterial activity against both gram-positive and gram-negative bacteria. Under in vitro conditions, purified HSL mediate agglutination of the test bacteria, there by indicating a possible mode of action in physiological situation. (c) 2008 Elsevier Inc. All rights reserved.
}, keywords = {agglutination, antibacterial activity, coelomic fluid, Holothuria scabra, Lectin, sea cucumber}, issn = {0022-2011}, doi = {10.1016/j.jip.2008.04.003}, author = {Gowda, Nagaraj M. and Goswami, Usha and Khan, Mohammad Islam} } @article { ISI:000260807500005, title = {Taxol and 10-deacetylbaccatinIII induce distinct changes in the dynamics of caveolae}, journal = {FEBS Letters}, volume = {582}, number = {25-26}, year = {2008}, month = {OCT}, pages = {3595-3600}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Taxol treatment of HeLa cells resulted in a transient recruitment of Caveolin-1 to the cell surface followed by internalization. Interestingly, 20 min after 10-deacetylbaccatinIII (10-DAB) treatment, the caveolae displayed faster {\textquoteleft}kiss and run{\textquoteright} dynamics while BaccatinIII (BacIII) did not induce any change. Sustained phosphorylation of Caveolin-1 is observed upon treatment and between Taxol and 10-DAB, the former shows phosphorylated Raf-1, ERK1/2 and hyperphosphorylated Bcl-2 while the later showed much less magnitude of the same. BacIII treatment did not induce phosphorylation of Raf-1 or Bcl-2. It is possible that Taxol might act on multiple targets and the side chain may be crucial. (c) 2008 Federation of European Biochemical Societies. Published by Elsevier B. V. All rights reserved.
}, keywords = {10-DeacetylbaccatinIII, BaccatinIII, Caveolae, Cytotoxicity, Kiss and run dynamic, Taxol, TIRFM}, issn = {0014-5793}, doi = {10.1016/j.febslet.2008.09.029}, author = {Ahmed, Neesar and Dasari, Sreekanth and Srivastava, Saumya S. and Sneh, Amita and Ahmad, Absar and Khan, Mohammad Islam and Krishnasastry, M. V.} } @article { ISI:000255342500023, title = {Temperature dependent structural studies and magnetic properties of BaCa2Fe16O27 hexaferrites prepared by stearic acid gel route in presence of SDS surfactant}, journal = {Synthesis and Reactivity in Inorganic Metal-Organic and Nano-Metal Chemistry}, volume = {38}, number = {2}, year = {2008}, note = {Symposium on New Routes to Inorganic Materials, Films and Nanocrystals held at ICMAT 2007, Singapore, SINGAPORE, JUL 01-06, 2007}, month = {MAR}, pages = {225-228}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article, Proceedings Paper}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
The preparation of BaCa2Fe16O27 hexaferrite powders by a stearic acid gel method with SDS surfactant has been investigated at various sintering temperatures. The samples were characterized by X-ray diffraction, scanning electron microscopy (SEM), TGA, FTIR and vibrating sample magnetometer (VSM). The effect of sintering temperature on properties of BaCa2Fe16O27 hexaferrites was studied. In presence of sodium dodecyl sulfate (SDS) surfactant, the magnetic parameters, like saturation magnetization, coercivity and remanent magnetization, have been calculated from hysteresis loop.
}, keywords = {BaCa2Fe16O27, magnetic properties, stearic acid gel method}, issn = {1553-3174}, doi = {10.1080/15533170801926549}, author = {Joyania, R. B. and Khomane, Ramdas B. and Chauhan, C. C. and Kulkarni, B. D.} } @article { ISI:000259922200004, title = {Tetranuclear manganese (III) salicylaldoxime ensemble}, journal = {Structural Chemistry }, volume = {19}, number = {5}, year = {2008}, month = {OCT}, pages = {735-740}, type = {Article}, abstract = {Crystal structure of {[Mn(salicylaldoximeH)(salicylaldoxime)](4)} center dot 3CHCl(3) 1 formed by the interaction of MnCl2 center dot 4H(2)O and salicylaldoxime in a 1:1 ratio is described. The compound crystallizes in the orthorhombic space group Pbca (No 61) with the lattice parameters; a = 27.769 (3), b = 22.672 (2), c = 21.650 (2) angstrom, V = 13630 (2) angstrom(3), Z = 8, R-1 = 0.0776, wR(2) = 0.2356, S = 1.164. The cluster with four Mn (III) centers formed by four terminal and four bridging salicylaldoxime ligands results in a central rotating wheel-like core with the Mn-Mn separation varying from 3.531 to 3.576 angstrom and with the diagonal distances being 4.156-4.165 angstrom. Four intramolecular H-bonds between a terminal oxime (NOH) group and the adjacent phenolate oxygen atom of another ligand stabilize the structure of the cluster. Spectral, magnetic, and cyclic voltammetry studies corroborate a stable Mn (III) tetramer.}, author = {Kumbhar, Avinash S. and Mulay, Mahesh P. and Padhye, Subhash B. and Tavale, Sudam S. and Puranik, Vedavati G.} } @article { ISI:000260210000002, title = {Thallium(III) p-tosylate mediated oxidative 2,3-aryl rearrangement: a new useful route to ipriflavone and its analogs}, journal = {Synthetic Communications}, volume = {38}, number = {22}, year = {2008}, month = {MAR}, pages = {3875-3883}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A new route for the synthesis of ipriflavone, an antiosteoporotic agent, is described that has four steps and 60\% yields starting from resacetophenone (2). The key step of the present methodology is thallium(III) p-tosylate mediated oxidative 2,3-aryl rearrangement of flavanone to generate the isoflavone ring system of ipriflavone in a highly efficient manner.
}, keywords = {Flavanones, ipriflavone, isoflavones, oxidative rearrangement, thallium(III) p-tosylate}, issn = {0039-7911}, doi = {10.1080/00397910802238734}, author = {Muthukrishnan, Murugan and Singh, Om V.} } @article { ISI:000255313300010, title = {Thermal and mechanical properties of melt processed intercalated poly(methyl methacrylate)-organoclay nanocomposites over a wide range of filler loading}, journal = {Polymer International}, volume = {57}, number = {5}, year = {2008}, month = {MAY}, pages = {738-743}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
BACKGROUND: Poly(methyl methacrylate) (PMMA)-organoclay nanocomposites with octadecylammonium, ion-modified montmorillonite, prepared via melt processing, over a wide range of filler loading (2-16 wt\%) were investigated in detail. These hybrids were characterized for their dispersion structure, and thermal and mechanical properties, such as tensile modulus (E). break stress (sigma(brk)), percent break strain (epsilon(brk)) and ductility(J), using wide-angle X-ray diffraction, transmission electron microscopy, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and tensile and impact tests. RESULTS: Intercalated nanocomposites were formed even in the presence of 16 wt\% clay (high loading) in PMMA matrix. PMMA intercalated into the galleries of the organically modified clay, with a change in d-spacing in the range 11-16 angstrom. TGA results showed improved thermal stability of the nanocomposites. The glass transition temperature (T-g) of the nanocomposites, from DSC measurements, was 2-3 degrees C higher than that of PMMA. The ultimate tensile strength and impact strength decreased with increasing clay fraction. Tensile modulus for the nanocomposites increased by a significant amount (113\%) at the highest level of clay fraction (16 wt\%) studied. CONCLUSION: We show for the first time the formation of intercalated PMMA nanocomposites with alkylammonium-modified clays at high clay loadings (\> 15wt\%). Tensile modulus increases linearly with clay fraction, and the enhancement in modulus is significant. A linear correlation between tensile strength and strainat-break is shown. Thermal properties are not affected appreciably. Organoclay can be dispersed well even at high clay fractions to form nanocomposites with superior bulk properties of practical interest. (c) 2007 Society of Chemical Industry.
}, keywords = {impact strength, mechanical properties, Nanocomposites, PMMA, Thermal properties}, issn = {0959-8103}, doi = {10.1002/pi.2402}, author = {Tiwari, Rajkiran R. and Natarajan, Upendra} } @article { ISI:000258432100026, title = {Thermal stability of mesoporous SBA-15 and Sn-SBA-15 molecular sieves: an in situ HTXRD study}, journal = {Microporous and Mesoporous Materials}, volume = {114}, number = {1-3}, year = {2008}, month = {SEP}, pages = {270-280}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Highly ordered SBA-15 and Sn-SBA-15 mesoporous molecular sieves with Si/Sn = 80, 60, 40 and 10 have been prepared through direct synthesis route under milder acidic conditions, which were used for the in situ high temperature X-ray diffraction (HTXRD) studies in the temperature range 298-1573 K for the first time in the literature. SBA-15 is found to be thermally stable up to 1473 K and appearance of alpha-cristobalite was observed at 1573 K also supported by the thermogravimetric (TG) data. A strong negative thermal expansion was observed on heating from 298 to 1573 K (alpha(a) = -4.3 x 10(-6) K-1). Sit containing samples (Si/Sn = 80 and 60) showed a positive thermal expansion (6.75 x 10(-6) K-1 and 9.04 x 10(-6) K-1, respectively). On the other hand, the samples with Si/Sn = 40 and 10 showed a strong negative thermal expansion (-4.12 x 10(-6) K-1 and -7.56 x 10(-6) K-1) similar to SBA-15. The linear thermal expansion coefficient varied in the order: Si/Sn = 60 \> 80 \> 40 \> 0 \> 10. Sn4+ ions exhibit both tetrahedral and octahedral coordination depending upon the location of these ions either on the walls of the silica (Si/Sn = 80 and 60) or in the corona region of the structure (Si/Sn = 40 and 10), respectively. The thermal decomposition of the samples (TG data) is correlated to the thermal expansion behavior (HTXRD data). The decomposition behavior of template ions located within the pores is strongly influenced by the presence of Sn in the framework and a {\textquoteleft}soft{\textquoteright} interaction probably exists between the template ions and the Sn sites. (C) 2008 Elsevier Inc. All rights reserved.
}, keywords = {HTXRD studies, phase transitions, Sn-SBA-15, TG data, Thermal expansion}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.01.013}, author = {Shah, Pallavi and Ramaswamy, Veda} } @article { ISI:000257016800018, title = {Titania supported silicotungstic acid: an efficient solid acid catalyst for veratrole acylation}, journal = {Catalysis Communications}, volume = {9}, number = {10}, year = {2008}, month = {JUN}, pages = {2026-2029}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Titania supported silicotungstic acid (STA) with different STA loading (10-25 wt\%) and calcination temperature (650-750 degrees C) were prepared by wet impregnation method. The catalysts have been represented by a general formula xSTiO(2)y (where x denotes wt\%, S denotes STA and y denotes calcination temperature in degrees C). These catalysts were characterized by techniques such as X-ray diffraction, surface analysis, FTIR-pyridine and TPD-NH(3) and were used as heterogeneous solid acid catalysts in the liquid phase acylation of veratrole with acetic anhydride (Ac(2)O). It was found that 20STiO(2)700 gave the highest activity in acylation reaction due to its highest acidity. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {acetic anhydride, Acylation, Silicotungstic acid, titania, veratrole}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.03.043}, author = {Waghmare, Nilesh G. and Kasinathan, Palraj and Amrute, Amol P. and Lucas, Nishita and Halligudi, Shivaraj B.} } @article { ISI:000255698500020, title = {Total synthesis and determination of relative and absolute configuration of multiplolide A}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {10}, year = {2008}, month = {MAY}, pages = {3817-3822}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A flexible approach for total syntheses of possible multiplolide A diastereomers establishing the relative and absolute configuration is documented. The adopted strategy features ring-closing metathesis (RCM) as the key reaction and screening of a set of substrates for the feasibility of RCM in general and for the requisite E-configuration of ring olefin in particular. Selective protecting groups manipulation prior to the assembly of the central macrocyclic core was instrumental in installing the epoxide functionality on a fully deprotected nonenolide at the end of the synthesis.
}, issn = {0022-3263}, doi = {10.1021/jo7027568}, author = {Ramana, C. V. and Khaladkar, Tushar P. and Chatterjee, Soumitra and Gurjar, Mukund K.} } @article { ISI:000260843700019, title = {Total synthesis of (+)-isolaurepan}, journal = {Tetrahedron Letters}, volume = {49}, number = {49}, year = {2008}, month = {DEC}, pages = {7012-7014}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A versatile and efficient method for the enantioselective synthesis of 2,7-cis-disubstituted oxepane 1c, (+)-isolaurepan, using oxidative resolution of a secondary alcohol and highly diastereoselective Et(3)SiH/TMSOTf-promoted reductive cyclization of a hydroxy ketone is described. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Cis-selective cyclization, Cyclic ethers, Isolaurepan, Oxepanes, Oxidative resolution of secondary alcohols}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.09.134}, author = {Tripathi, Divya and Kumar, Pradeep} } @article { ISI:000258030400010, title = {Total synthesis of (S)-(-)-curvularin: a ring-closing-metathesis-based construction of the macrocyclic framework}, journal = {Synlett}, number = {12}, year = {2008}, month = {JUL}, pages = {1801-1804}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A convergent, flexible, and efficient approach to the synthesis of curvularin is described. Key step is the high-yielding macrocyclic ring formation by ring-closing metathesis (RCM) using the Grubbs second-generation catalyst.
}, keywords = {curvularin, Cytotoxic, Pinnick oxidation, Ring-closing metathesis, Wittig reaction}, issn = {0936-5214}, doi = {10.1055/s-2008-1078504}, author = {Mohapatra, Debendra K. and Rahaman, Hasibur and Pal, Rita and Gurjar, Mukund K.} } @article { ISI:000260119300077, title = {Transverse susceptibility study of the effect of varying dipolar interactions on anisotropy peaks in a three-dimensional assembly of soft ferrite nanoparticles}, journal = {Journal of Applied Physics}, volume = {104}, number = {6}, year = {2008}, month = {SEP}, pages = {Article No. 063901}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Collective magnetization dynamics in nanoparticle assemblies is of current interest as it forms the basis of high density storage media. It is important to understand how interparticle interactions in a three-dimensional (3D) arrangement of superparamagnetic nanoparticles would affect the overall effective magnetic anisotropy of the system. We have studied the influence of varying strengths of dipolar interaction on the static and dynamic magnetic properties of surfactant-coated monodispersed manganese zinc ferrite nanoparticles using reversible transverse susceptibility. We track the evolution of the anisotropy peaks with varying magnetic field, temperature, and interaction strength. The blocking temperature shows an increase from 28 to 32 K and the coercive field (at 10 K) shows an increase from 144 to 192 Oe as the system changes from the case of weakly interacting to strongly interacting 3D assembly of the particles. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2977592]
}, issn = {0021-8979}, doi = {10.1063/1.2977592}, author = {Poddar, Pankaj and Morales, Marienette B. and Frey, Natalie A. and Morrison, Shannon A. and Carpenter, Everett E. and Srikanth, Hariharan} } @article { ISI:000261232200039, title = {Tunable surface modification of silica nanoparticles through {\textquoteleft}click{\textquoteright} chemistry}, journal = {Current Science}, volume = {95}, number = {9}, year = {2008}, month = {NOV}, pages = {1327-1333}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Tuning the surface functionality of silica nanoparticles through a {\textquoteleft}click{\textquoteright} chemistry-based protocol is demonstrated. Pyrene, a fluorophore that displays excimer emission specifically at higher density/concentration is chosen for highlighting the fidelity of surface functionalization. The UV-visible absorbance of the pyrene chromophore capping the nanoparticle is used to determine the amount of pyrene units present on the surface of a silica nanoparticle.
}, keywords = {pyrene, silica nanoparticles, surface functionality, {\textquoteleft}Click{\textquoteright} chemistry}, issn = {0011-3891}, author = {Chandran, S. Prathap and Hotha, Srinivas and Bhagavatula L. V. Prasad} } @article { ISI:000252482800031, title = {Tuning the hydrophobic properties of silica particles by surface silanization using mixed self-assembled monolayers}, journal = {Journal of Colloid and Interface Science}, volume = {318}, number = {2}, year = {2008}, month = {FEB}, pages = {372-379}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Here we describe a novel method of preparing hydrophobic silica particles (100-150 nm; water contact angle of dropcasted film ranging from 60 degrees to 168 degrees) by surface functionalization using different alkyltrichlorosilanes. During their preparation, the molecular surface roughness is also concurrently engineered facilitating a change in both the surface chemical composition and the geometrical microstructure to generate hierarchical structures. The water contact angle has been measured on drop-cast film surface. The enhancement in the water contact angle on 3D (curved) SAMs in comparison to that on 2D (planar) surface is discussed using the Cassie-Baxter equation. These silica particles can be utilized for many potential applications including selective adsorbents and catalysts, chromatographic supports and separators in microfluidic devices. (C) 2007 Elsevier Inc. All rights reserved.
}, keywords = {alkyltrichlorosilane, silanization, silica particles, superhydrophobicity}, issn = {0021-9797}, doi = {10.1016/j.jcis.2007.11.012}, author = {Kulkami, Sneha A. and Ogale, Satishchandra B. and Vijayamohanan, Kunjukrishanan P.} } @article { ISI:000256058000039, title = {Tuning the transport properties of Poly(oxyethylene)bisamine - Nafion polyelectrolyte complexes by dielectric manipulation}, journal = {Macromolecules}, volume = {41}, number = {10}, year = {2008}, month = {MAY}, pages = {3653-3658}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Polyelectrolyte complexes (PECs) of Nafion-H+, a perfluorosulfonic acid ionomer, and Poly(oxyethylene)bisamine (Polyox) were synthesized, and the effect of electrostatic interactions on the physicochemical properties of the individual components was studied using a combination of spectroscopic and electrochemical techniques. More specifically, the pristine PECs were extensively characterized using viscosity, surface tension, and pH measurements and diffuse reflectance Fourier transform infrared (DRIFT) spectroscopy and their transport properties were investigated using cyclic voltammetry and electrochemical impedance spectroscopy, by employing [Fe(CN)(6)](3-) as a redox probe. Acid-base interaction between Nafion and Polyox is evident from pH measurements of the blend solutions, which indicate salt formation at a 50:50 composition, supported further by the existence of a maximum in the plot of surface tension versus blend composition. DRIFT spectra of the PEC membranes indicate subtle changes in the ionic environment and a transition from a state of medium hydration to a partially dehydrated state of the parent ionomer, Nation, after complexation with Polyox. Further evidence for polyelectrolyte-polyelectrolyte association is obtained from cyclic voltammetry, which shows that the interaction between the redox active chromophore, [Fe(CN)(6)](3-), and the pendent sulfonate groups of Nafion is minimized by complexation with the oppositely charged polyelectrolyte Polyox. The water-soluble nature of these PECs along with the tunable range of properties with blend composition could qualify them as suitable candidates for developing stimuli-responsive polymer systems for pharmaceutical and environmental applications.
}, issn = {0024-9297}, doi = {10.1021/ma7028677}, author = {Parthasarathy, Meera and Kakade, Bhalchandra A. and Pillai, Vijayamohanan K.} } @article { ISI:000253512400006, title = {Tuning the wetting properties of multiwalled carbon nanotubes by surface functionalization}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {9}, year = {2008}, month = {MAR}, pages = {3183-3186}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A simple strategy of chemical functionalization is employed here for controlling the wettability of multiwalled carbon nanotube films from superhydorphobic (156 degrees) to nearly hydrophilic (40 degrees), which further shows superhydrophilicity with a water contact angle of about 0 degrees within 2 s. The hydrophobic surface (water contact angle 145 degrees) in case of nitric-acid-treated MWCNT bucky paper shows an unusual pinning action even at a tilt angle of 45 degrees, following Wenzel behavior of the surface. The variation in the wetting properties of MWCNT bucky paper using such surface designing strategies provides controlled heterogeneity on the surface with no or minimal effect on surface roughness.
}, issn = {1932-7447}, doi = {10.1021/jp711657f}, author = {Kakade, Bhalchandra A. and Pillai, Vijayamohanan K.} } @article { ISI:000254443900006, title = {Ultrasound promoted asymmetric transfer hydrogenation of ketones using Ru(II)arene/amino alcohol catalyst system}, journal = {Ultrasonics Sonochemistry}, volume = {15}, number = {4}, year = {2008}, month = {APR}, pages = {289-293}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Asymmetric transfer hydrogenation of ketones using Ru(II)arene/amino alcohol catalyst system proceeds with significant rate enhancement by ultrasound promotion. Comparison of the silent reactions carried out at 25 degrees C with reactions under sonochemical activation at 25 degrees C clearly showed enhancement in catalytic activity by 5-10 times without significantly affecting the enantioselectivity. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {asymmetric catalysis, transfer hydrogenation, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2007.10.003}, author = {Shingote, Savita K. and Kelkar, Ashutosh A. and Borole, Yogesh L. and Joshi, Pradip D. and Chaudhari, Raghunath V.} } @article { ISI:000255901700030, title = {Ultrasound promoted copper-, ligand- and amine-free synthesis of benzo[b]furans/nitro benzo[b]furans via Sonogashira coupling-5-endo-dig-cyclization}, journal = {Ultrasonics Sonochemistry}, volume = {15}, number = {5}, year = {2008}, month = {JUL}, pages = {853-862}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
This method describes the results of the optimized conditions for the one-pot synthesis of benzo[b]furans/nitro benzo[b]furans via Sonogashira coupling-5-endo-dig-cyclization under ultrasonic irradiation at ambient temperature in the absence of copper, ligand and amine. The protocol tolerates wide range of functional groups present in both the coupling components, especially base labile nitro group was not affected under these mild conditions giving excellent yields of the nitro benzo[b]furans. The formation of Pd(0) nanoparticles as the active species has been shown by TEM analysis and the unique role of ultrasound in promoting the total sonochemical protocol has been substantiated by way of control experiments. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {1-alkynes, benzo[b]furans, Sonogashira coupling-5-endo-dig-cyclization}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2007.10.006}, author = {Palimkar, Sanjay S. and More, Vijaykumar S. and Srinivasan, Kumar V.} } @article { ISI:000255339600033, title = {Unexpected metal-promoted transformation yields an anthrylmethyl spiroanthracene}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {9}, year = {2008}, month = {MAY}, pages = {3559-3561}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The isolation and characterization of an unusual spiroanthracene, from the reaction of bisdichlororuthenium(II)bi-pyridine dihydrate with 3-(9-anthrylmethyl)pentane-2,4-dione (AMPD), is reported. This metal-promoted formation of spiroanthracene has been obtained for the first time during the synthesis of metal complexes.
}, issn = {0022-3263}, doi = {10.1021/jo702284t}, author = {Kumbhar, Anupa A. and Kumbhar, Avinash S. and Puranik, Vedavati G.} } @article { ISI:000256613900001, title = {Unusual addition of amines to C-2 of vinyl sulfone-modified-beta-D-pent-2-enofuranosyl carbohydrates: synthesis of a new class of beta-anomeric 2-amino-2,3-dideoxy-D-threo-pentofuranosides}, journal = {Carbohydrate Research}, volume = {343}, number = {8}, year = {2008}, month = {JUN}, pages = {1287-1296}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
When 3-C-sulfonyl-pent-2-enofuranosides and 3-C-sulfonyl-hex-2-enofuranosides were reacted with primary and secondary amines, only the beta-anomeric methoxy group of the pent-2-enofuranoside did not cause any hindrance to incoming nitrogen nucleophiles. This resulted in the {\textquoteleft}unusual{\textquoteright} addition of amines, in which the diastereoselectivity of the reaction was overwhelmingly in favor of amino sugars of the D-arabino configuration. Selected products were desulfonylated to obtain a new class of beta-anomeric 2-amino-2,3-dideoxy-D-threo-pentofuranosides. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {amino sugars, deoxyaminosugars, desulfonylation with Mg-MeOH-NiBr(2), diastereoselective Michael addition, vinyl sulfone-modified carbohydrates}, issn = {0008-6215}, doi = {10.1016/j.carres.2008.03.022}, author = {Das, Indrajit and Suresh, Cheravakkattu G. and Decout, Jean-Luc and Pathak, Tanmaya} } @article { ISI:000259381200014, title = {Unusual temperature dependence of salt effects for {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} wittig reaction: hydrophobicity at the interface}, journal = {Chemical Communications}, number = {37}, year = {2008}, month = {MAY}, pages = {4445-4447}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An unusual variation with temperature of the salt effects in aqueous Wittig reaction is observed, suggesting that hydrophobic acceleration of reactions comprising {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} reactants is fundamentally different from that for reactions with small non-polar solutes.
}, issn = {1359-7345}, doi = {10.1039/b809127g}, author = {Tiwari, Shraeddha and Kumar, Anil} } @article { ISI:000259760100035, title = {Uranyl-anchored MCM-41 as a highly efficient photocatalyst in the oxidative destruction of short chain linear alkanes: an in situ FTIR study}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {40}, year = {2008}, month = {OCT}, pages = {15832-15843}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Uranyl ions anchored in the mesopores of MCM-41 molecular sieve were found to be a highly efficient heterogeneous photocatalyst in the complete degradation of short chain linear alkanes such as methane, ethane, propane, and butane, carried out under ambient conditions of light irradiation. In addition to the formation of carbon dioxide and water, a negligible amount of methane was detected during the photooxidation of ethane, propane, and butane. Further, small amounts of ethane were also obtained during photooxidation of butane, suggesting quenching of *UO22+ by a C-C bond cleavage, in addition to a hydrogen atom abstraction. An C, in situ Fourier transform IR spectroscopy analysis was employed in order to monitor the photooxidation of methane and ethane over *UO22+/MCM-41, where formic acid, formaldehyde, and formate species were the transient species identified from methane, and acetic acid, acetaldehyde, and acetate species were the intermediates obtained from ethane. Appropriate reaction pathways were proposed based on the formation of these species (C-H cleavage) and also from the negligible quantitites of methane and ethane obtained during photooxidation of higher alkanes (C-C cleavage).
}, issn = {1932-7447}, doi = {10.1021/jp80779e}, author = {Krishna, Vidya and Kamble, Valmik S. and Gupta, Narendra M. and Selvam, Parasuraman} } @article { ISI:000258293100059, title = {Use of enantiomerically pure 7-azabicyclo[2.2.1]heptan-2-ol as a chiral template for the synthesis of aminocyclitols}, journal = {Organic Letters}, volume = {10}, number = {16}, year = {2008}, month = {AUG}, pages = {3611-3614}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Using enantiopure 7-azabicyclo[2.2.1]heptane-2-ol, the synthesis of cis- as well as trans-2-aminocyclohexanols, dihydroconduramine E-1, and ent-conduramine F-1 has been described.
}, issn = {1523-7060}, doi = {10.1021/ol801381t}, author = {Pandey, Ganesh and Tiwari, Keshri Nath and Puranik, Vedavati G.} } @article { ISI:000257971900057, title = {Use of response surface optimization for the production of biosurfactant from rhodococcus spp. MTCC 2574}, journal = {Bioresource Technology}, volume = {99}, number = {16}, year = {2008}, month = {NOV}, pages = {7875-7880}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The production of biosurfactant from Rhodococcus spp. MTCC 2574 was effectively enhanced by response surface methodology (RSM). Rhodococcus spp. MTCC 2574 was selected through screening of seven different Rhodococcus strains. The preliminary screening experiments (one-factor at a time) suggested that carbon source: mannitol, nitrogen source: yeast extract and meat peptone and inducer: n-hexadecane are the critical medium components. The concentrations of these four media components were optimized by using central composite rotatable design (CCRD) of RSM. The adequately high R-2 value (0.947) and F score 19.11 indicated the statistical significance of the model. The optimum medium composition for biosurfactant production was found to contain mannitol (1.6 g/L), yeast extract (6.92 g/L), meat peptone (19.65 g/L), n-hexadecane (63.8 g/L). The crude biosurfactant was obtained from methyl tert-butyl ether extraction. The yield of biosurfactant before and after optimization was 3.2 g/L of and 10.9 g/L, respectively. Thus, RSM has increased the yield of biosurfactant to 3.4-fold. The crude biosurfactant decreased the surface tension of water from 72 mN/m to 30.8 mN/m (at 120 mg L-1) and achieved a critical, micelle concentration (CMC) value of 120 mg L-1. (C) 2008 Published by Elsevier Ltd.
}, keywords = {Biosurfactant, Medium optimization, Response surface methodology, Rhodococcus spp.}, issn = {0960-8524}, doi = {10.1016/j.biortech.2008.02.027}, author = {Mutalik, Snehal R. and Vaidya, Bhalchandra K. and Joshi, Renuka M. and Desai, Kiran M. and Nene, Sanjay N.} } @article { ISI:000253620600008, title = {Use of the pictet-spengler reaction for the synthesis of 1,4-disubstituted-1,2,3,4-tetrahydro-beta-carbolines and 1,4-disubstituted-beta-carbolines: formation of gamma-carbolines}, journal = {Tetrahedron}, volume = {64}, number = {8}, year = {2008}, month = {FEB}, pages = {1654-1662}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Microwave-assisted conjugate addition of indole on nitro-olefins furnished nitro compounds, which were reduced to tryptamines. Further, by using Pictet-Spengler condensation, new 1,4-disubstituted-1,2,3,4-tetrahydro-beta-carbolines were synthesized in diastereoselective manner. Dehydrogenation of the tetrahydro-beta-carbolines produced new 1,4-disubstituted-beta-carbolines. As a new observation, in some of the cases, Pictet-Spengler condensation and dehydrogenation gave two products, namely 1,4-disubstituted-beta-carbolines and 1,4-disubstituted-gamma-carbolines. A mechanism is proposed for this observation. (C) 2007 Elsevier Ltd. All rights reserved.
}, keywords = {1, 2, 3, 4-Disubstituted-1, 4-disubstituted-beta-carboline, 4-disubstituted-gamma-carboline, 4-tetrahydro-beta-carboline, 4-tetrahydro-gamma-carboline, Pictet-Spengler reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.12.008}, author = {Kusurkar, Radhika S. and Alkobati, Nabil A. H. and Gokule, Anita S. and Puranik, Vedavati G.} } @article { ISI:000252195200043, title = {Utilization of molasses sugar for lactic acid production by lactobacillus delbrueckii subsp delbrueckii mutant Uc-3 in batch fermentation}, journal = {Applied and Environmental Microbiology}, volume = {74}, number = {1}, year = {2008}, month = {JAN}, pages = {333-335}, publisher = {AMER SOC MICROBIOLOGY}, type = {Article}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {
Efficient lactic acid production from cane sugar molasses by Lactobacillus delbrueckii mutant Uc-3 in batch fermentation process is demonstrated. Lactic acid fermentation using molasses was not significantly affected by yeast extract concentrations. The final lactic acid concentration increased with increases of molasses sugar concentrations up to 190 g/liter. The maximum lactic acid concentration of 166 g/liter was obtained at a molasses sugar concentration of 190 g/liter with a productivity of 4.15 g/liter/h. Such a high concentration of lactic acid with high productivity from molasses has not been reported previously, and hence mutant Uc-3 could be a potential candidate for economical production of lactic acid from molasses at a commercial scale.
}, issn = {0099-2240}, doi = {10.1128/AEM.01595-07}, author = {Dumbrepatil, Arti and Adsul, Mukund G. and Chaudhari, Shivani and Khire, Jayant Malhar and Gokhale, Digambar V.} } @article { ISI:000261555200036, title = {Valence-state analysis through spectroelectrochemistry in a series of quinonoid-bridged diruthenium complexes [(acac)(2)Ru(mu-L)Ru(acac)(2)](n) (n =+2,+1, 0,-1,-2)}, journal = {Chemistry-A European Journal}, volume = {14}, number = {34}, year = {2008}, month = {OCT}, pages = {10816-10828}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
The quinonoid ligand-bridged diruthenium compounds [(acac)(2)Ru(mu-L2-)Ru(acac)(2)] (acac(-) = acetylacetonato = 2,4-pentanedionato; L2- = 2,5-dioxido-1,4-benzoquinone, 1; 3,6-dichloro-2,5-dioxido-1,4-benzoquinone, 2; 5,8-dioxido-1,4-naphthoquinone, 3; 2-3-dichloro-5,8-dioxido-1,4-naphthoquinone, 4; 1,5-dioxido-9,10-anthraquinone, 5; and 1,5-diimido-9,10-anthraquinone, 6) were prepared and characterized analytically. The crystal structure analysis of 5 in the rac configuration reveals two tris(2,4-pentanedionato)ruthenium moieties with an extended anthracenedione-derived bis(ketoenolatee) pi-conjugated bridging ligand. The weakly antiferro-magnetically coupled {Ru-III(mu-L2-)Ru{\textendash}(III)} configuration in 1-6 exhibits complicated overall magnetic and EPR responses,. ne simultaneous presence of highly redox-active quinonoid-bridging ligands and of two ruthenium centers capable of adopting the oxidation states +2, +3, and +4 creates a large variety of possible oxidation state combinations. Accordingly. the complexes 1-6 exhibit two reversible one-electron oxidation steps and at least two reversible reduction processes. Shifts to positive potentials were observed on introduction of Cl substituents (1 -\> 2, 3 -\> 4) or through replacement of NH by O (6 -\> 5). The ligand-to-metal charge transfer (LMCT) absorptions in the visible region of the neutral molecules become more intense and shifted to lower energies on stepwise reduction with two electrons. On oxidation, the para-substituted systems 1-4 exhibit monocation intermediates with intervalence charge transfer (IVCT) transitions of (RuRuIV)-Ru-III mixed-valent species. In contrast, the differently substituted systems 5 and 6 show no such near infrared (NIR) absorption. While the first reduction steps are thus assigned to largely ligand-centered processes, the oxidation appears to involve metal-ligand delocalized molecular orbitals with variable degrees of mixing.
}, keywords = {magnetic properties, quinones, ruthenium, spectroelectrochemistry, structure elucidation, valence-state distributions}, issn = {0947-6539}, doi = {10.1002/chem.200800976}, author = {Ghumaan, Sandeep and Sarkar, Biprajit and Maji, Somnath and Puranik, Vedavati G. and Fiedler, Jan and Urbanos, Francisco A. and Jimenez-Aparicio, Reyes and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000255798800008, title = {Van der waals and polar intermolecular contact distances: quantifying supramolecular synthons}, journal = {Chemistry-an Asian Journal}, volume = {3}, number = {5}, year = {2008}, month = {APR}, pages = {868-880}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Crystal structures are viewed as being determined by ranges and constraints on interatomic contact distances between neighboring molecules. These distances are considered to arise from environment-dependent atomic sizes, that is, larger sizes for isotropic, van der Waals type contacts and smaller sizes for more-polar, possibly ionic contacts. Although the idea of different, or anisotropic, radii for atoms is not new, we developed a method of obtaining atomic sizes that is based on a theoretical framework. Using different atomic sizes for the same atom in different environments, we were able to rationalize some structural observations and anomalies. For example, benzene with the Pbca structure may be described in terms of two types of C center dot center dot center dot H interactions: a longer contact largely of the van der Waals type, and a shorter, structure-determining type (C delta-center dot center dot center dot H delta+), which we term {\textquoteleft}{\textquoteleft}n-polar{\textquoteright}{\textquoteright}. Our approach is illustrated with three examples: 1) the equivalence in crystal packing of fluorobenzene, benzonitrile, pyridine N-oxide, and pyridine/HF 1:1 molecular complex, all of which take the not-so-common tetragonal P4(1)2(1)2 space group and are practically isomorphous; 2) the similarity of the Pa3 acetylene and Pbca benzene crystal structures; and 3) the equivalence between an increase in pressure and an increase in the {\textquoteleft}{\textquoteleft}n-polar{\textquoteright}{\textquoteright} contacts in Pbca benzene; in other words, the equivalence between hydrostatic pressure and chemical pressure. In the context of crystal engineering, we describe a method whereby the topological information conveyed in a supramolecular synthon is recast in a more quantitative manner. A particular synthon, and in turn the crystal structure to which it leads, is viable within small ranges of distances of its constituent atoms, and these distances are determined by chemical factors.
}, keywords = {atomic radii, benzene crystal, engineering, supramolecular chemistry, van der Waals radii}, issn = {1861-4728}, doi = {10.1002/asia.200700343}, author = {Ganguly, Parthasarathy and Desiraju, Gautam R.} } @conference { ISI:000257237400015, title = {Variability among vitis vinifera cultivars to in vitro propagation}, booktitle = {Proceedings of the International Symposium on Grape Production and Processing}, series = {ACTA HORTICULTURAE}, number = {785}, year = {2008}, note = {International Symposium on Grape Production and Processing, Baramati, INDIA, FEB 06-11, 2006}, month = {MAY}, pages = {127-139}, publisher = {Agr \& Processed Food Prod Export Dev Author; Indian Farmers Fertilizer Cooperat Ltd; Maharashtra Agro Industries Dev Corp Ltd; Indian Council Agr Res; Natl Res Ctr Grapes; Federat Indian Chambers Commerce \& Ind; Natl Hort Board; Minist Food Proc Industrie}, organization = {Agr \& Processed Food Prod Export Dev Author; Indian Farmers Fertilizer Cooperat Ltd; Maharashtra Agro Industries Dev Corp Ltd; Indian Council Agr Res; Natl Res Ctr Grapes; Federat Indian Chambers Commerce \& Ind; Natl Hort Board; Minist Food Proc Industrie}, address = {Po Box 500, 3001 Leuven 1, Belgium}, abstract = {
Response of grapevines to tissue culture has been reported to be genotype dependent, hence it becomes imperative to optimize culture conditions for newly developed varieties or cultivars, needing a large scale planting but availability of sufficient planting stock is a constraint. In the present study, conditions for in vitro propagation of six popular table grape cultivars have been standardized. Single node stem segments of cultivars 2A-Clone of Thompson Seedless, Red Globe, Crimson Seedless, Thompson Seedless, Flame Seedless and Italia cultured on ten different basal media showed varied percentages of bud break and morphogenetic responses. The percentage of bud break varied among the six cultivars. Direct rooting at basal ends of single node segments was observed in all the cultivars except in Italia. Woody plant medium induced the highest response and Eriksson medium the least in all the cultivars tested. Rooted nodal segments with shoots in axils could be established into whole plants on potting. Six cultivars showed different optimum concentrations of growth regulators for induction of maximum number of multiple shoots in both primary as well as secondary nodal segments. Shoot proliferation could be enhanced by several fold in the majority of cultivars on culture of initial shoot clumps to glass bottles instead of culture tubes. Six cultivars showed significant differences in optimum requirement of nutrients and growth regulators for shoot elongation, in vitro and ex vitro rooting and survival rate. Tissue culture plants of all the six cultivars could establish successfully in a greenhouse.
}, keywords = {basal media, Grapevine, growth regulators, micropropagation, Tissue culture, Vitis}, isbn = {978-90-6605-268-0}, issn = {0567-7572}, author = {Barreto, M. S. and Nookaraju, A. and Joglekar, A. M. and Karibasappa, G. S. and Agrawal, Dinesh C.}, editor = {Adsule, P. G. and Sawant, I. S. and Shikhamany, S. D.} } @article { ISI:000260483400085, title = {Varistor property of SnO2 center dot CoO center dot Ta2O5 ceramic modified by barium and strontium}, journal = {Journal of Alloys and Compounds}, volume = {466}, number = {1-2}, year = {2008}, month = {OCT}, pages = {483-487}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The influence of an alkali earth (Ba/Sr) element in small quantities (\< 1 at.\%) on non-linear electrical properties of 98.5\% SnO2 + 1\% CoO + 0.5\% Ta2O5 (all in at.\%) varistor system has been investigated. The non-linear coefficient increases from 33 to 52 whereas breakdown field strength varies 5025-6050 V cm(-1) for the barium-doped samples. In case of strontium-doped specimens moderate increase in non-linear coefficient but significant increase in breakdown field is observed. It is proposed that due to ionic size misfit, Ba and Sr segregates to grain boundaries thereby modifying their barrier properties. The contribution from grain boundary phase to the electrical property is confirmed by the impedance analysis. (C) 2007 Elsevier B.V. All rights reserved.
}, keywords = {Oxide materials, scanning electron microscopy, Sintering}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2007.11.062}, author = {Dhage, S. R. and Ravi, V. and Yang, O. B.} } @article { ISI:000261711400013, title = {Vitamin K-3 family members - Part II: Single crystal X-ray structures, temperature-induced packing polymorphism, magneto-structural correlations and probable anti-oncogenic candidature}, journal = {Journal of Molecular Structure}, volume = {892}, number = {1-3}, year = {2008}, month = {DEC}, pages = {74-83}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Temperature-induced packing polymorphism is observed for vitamin K-3 (menadione, 3-methyl-1,4-naphthoquinone, 1). Form la crystallizes at 300 K and 1b at 277 K both in the same space group P2(1)/c. Form 1b contains one molecule per asymmetric unit, performing anisotropy in g-factor viz. g(z) = 2.0082, g(y) = 2.0055 and g(x) = 2.0025, whereas form 1a contains two molecules in its asymmetric unit. Vitamin K-3 family members 2, [2-hydroxy vitamin K-3] and 3, [2-hydroxy-1-oximino vitamin K-3] also perform intrinsic neutral active naphthosemiquinone valence tautomers even in dark having spin concentrations due to hydrogen bonding and aromatic stacking interactions which are compared to vitamin K-3. The significant lateral C-H center dot center dot center dot O and O-H center dot center dot center dot pi bifurcated or pi-pi(center dot) interactions are discussed for molecular associations and radical formations. X-ray structure of 3 revealed pi-pi(center dot) stack dimers as radicals signatured in PR as triplet with five hyperfine splits [(A) over bar(N-14) = 11.9 G]. The centrosymmetric biradicals in 3 show diamagnetism at high temperature but below 10 K it shows paramagnetism with mu(eff) as 0.19 B.M. Vitamin K-3 and its family members inhibit biological activities of acid phosphatase (APase), which are proportional to their spin concentrations. This may relate to their probable anti-oncogenic candidature in future. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Anti-oncogenic candidature, H-bonding, Magneto-structural correlations, Naphthosemiquinones in vitamin K-3 family, Packing polymorphism, Spin concentrations}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2008.05.015}, author = {Rane, Sandhya and Ahmed, Khursheed and Salunke-Gawali, Sunita and Zaware, Santosh B. and Srinivas, D. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000260447200004, title = {WO3/70\% TBHP/aqueous NaOH: an efficient catalytic combination for the selective oxidation of methylarenes and alkyl aryl ketones to benzoic acids}, journal = {European Journal of Organic Chemistry}, number = {29}, year = {2008}, month = {OCT}, pages = {4877-4880}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
A new solvent-free, reusable catalytic combination consisting Of WO3/70\% TBHP/aqueous NaOH has been described for the direct oxidation of methylarenes and acetophenones to the corresponding benzoic acids in high yields. Alkylarenes are oxidized to the corresponding aromatic ketones or benzylic alcohols depending upon whether NaOH is used or not. ((C) Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheim, Germany, 2008)
}, keywords = {Arenes, Benzoic acids, Ketones, Oxidation, Tungsten}, issn = {1434-193X}, doi = {10.1002/ejoc.200800664}, author = {Shaikh, Tanveer Mahammad Ali and Sudalai, Arumugam} } @article { ISI:000252678500008, title = {XPS and AFM investigations on silver-based photoimageable thick film systems}, journal = {Microelectronics International}, volume = {25}, number = {1}, year = {2008}, month = {JAN}, pages = {46-57}, publisher = {EMERALD GROUP PUBLISHING LIMITED}, type = {Article}, address = {HOWARD HOUSE, WAGON LANE, BINGLEY BD16 1WA, W YORKSHIRE, ENGLAND}, abstract = {
Purpose - The purpose of this paper is to ascertain chemical changes occurring at various stages involved in processing of silver-based photoimageable thick films; and to determine ensuing topographical features which other wise appeared to be hindered in 2D scanning electron microscopy. Design/methodology/approach - Surface sensitive techniques, viz. X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM) were used. Findings - Interfacial adhesion of silver film with substrate (Al(2)O(3)) was specifically looked into with respect to role played by photoimaging (before and after exposure to ultra-violet light). XPS results revealed occurrence of subtle chemical changes in terms of unsaturation to saturation in C-C bonding and also an interesting C-Al bonding which presumably improves mechanical adhesion of unfired film with the alumina substrate. AFM was carried out to examine the surface roughness, particle size, and microstructure of film which are very important from the standpoint of high-frequency applications. Originality/value - Surface sensitive techniques like XPS and AFM were exclusively used in order to characterize silver-based photoimageable thick films.
}, keywords = {microscopy, Silver, thick film circuits, X-rays}, issn = {1356-5362}, doi = {10.1108/13565360810846653}, author = {Umarji, Govind and Ketkar, Supriya and Hawaldar, Ranjit R. and Gosavi, Suresh W. and Patil, Kashinath and Mulik, Uttam P. and Amalnerkar, Dinesh P.} } @article { ISI:000260941700137, title = {Zinc oxide nanoparticles as novel alpha-amylase inhibitors}, journal = {Journal of Applied Physics}, volume = {104}, number = {9}, year = {2008}, month = {NOV}, pages = {094907}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Amylase inhibitors, also known as starch blockers, contain substances that prevent dietary starches from being absorbed by the body via inhibiting breakdown of complex sugars to simpler ones. In this sense, these materials are projected as having potential applications in diabetes control. In this context, we report on zinc oxide nanoparticles as possible alpha-amylase inhibitors. Zinc oxide nanoparticles have been synthesized using soft-chemistry approach and 1-thioglycerol was used as a surfactant to yield polycrystalline nanoparticles of size similar to 18 nm, stabilized in wurtzite structure. Conjugation study and structural characterization have been done using x-ray diffraction technique, Fourier transform infrared spectroscopy, UV-visible spectroscopy, and transmission electron microscopy. Cytotoxicity studies on human fibrosarcoma (HT-1080) and skin carcinoma (A-431) cell lines as well as mouse primary fibroblast cells demonstrate that up to a dose of 20 mu g/ml, ZnO nanoparticles are nontoxic to the cells. We report for the first time the alpha-amylase inhibitory activity of ZnO nanoparticles wherein an optimum dose of 20 mu g/ml was sufficient to exhibit 49\% glucose inhibition at neutral pH and 35 degrees C temperature. This inhibitory activity was similar to that obtained with acarbose (a standard alpha-amylase inhibitor), thereby projecting ZnO nanoparticles as novel alpha-amylase inhibitors. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.3009317]
}, issn = {0021-8979}, doi = {10.1063/1.3009317}, author = {Dhobale, Sandip and Thite, Trupti and Laware, S. L. and Rode, C. V. and Koppikar, Soumya J. and Ghanekar, Ruchika-Kaul and Kale, Sangeeta N.} } @article { ISI:000269523400273, title = {2-(2,6-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {65}, number = {9}, year = {2009}, month = {SEP}, pages = {O2262-U2986}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
In the title compound, C18H16O6, the dimethoxyphenyl ring is rotated by 61.8 (1)degrees from the plane of the benzopyran system. The molecule is stabilized by an intramolecular O-H center dot center dot center dot O hydrogen bond.
}, issn = {1600-5368}, doi = {10.1107/S1600536809032383}, author = {Kumar, R. Ravi and Krishnaiah, M. and Kumar, N. Jagadesh and Reddy, D. Gunasekhar and Puranik, Vedavati G.} } @article {43242, title = {Accelerating convergence in iterative solution for large-scale complete active space self-consistent-field calculations}, journal = {International Journal of Quantum Chemistry}, volume = {109}, year = {2009}, month = {AUG}, pages = {2178-2190}, abstract = {An algorithm that accelerates the convergence of the iterative optimization of the complete active space self-consistent field (CASSCF) wavefunction so as to find a optimum solution in fewer macroiterations is described. The algorithm is oriented to large-scale CASSCF problems that are to be solved with a combination of density matrix renormalization group (DMRG) method for the configuration interaction (CI) process. The algorithm is based on the alternating (or two-step) CASSCF optimization in which the CI and molecular orbital (MO) parameters are optimized separately. Convergence ratio is improved by finding further optimized MOs from a linear extrapolation of the MO sets of the iteration history. The acceleration results in fewer diagonalizations in a total CASSCF calculation to save a considerable computational cost. The convergence performance is examined in a couple of realistic applications on SiC(3) and poly (phenyl)carbenes. For poly(phenyl)carbenes, the large-size CASSCF calculations with CAS(30e,30o) that entails full pi valence space as well as sp(2) orbital space of carbenes are performed by using the practical implementation of DMRG-CASSCF in conjunction with the acceleration technique. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 2178-2190, 2009}, doi = {10.1002/qua.22099}, author = {Yanai, Takeshi and Kurashige, Yuki and Ghosh, Debashree and Chan, Garnet Kin-Lic} } @article { ISI:000269426900019, title = {Acetalization of glycerol using mesoporous MoO3/SiO2 solid acid catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {310}, number = {1-2}, year = {2009}, month = {SEP}, pages = {150-158}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Acetalization of glycerol with various aldehydes has been carried out using mesoporous MoO3/SiO2 as a solid acid catalyst. A series of MoO3/SiO2 catalysts with varying MoO3 loadings(1-20 mol\%) were prepared by sol-gel technique using ethyl silicate-40 and ammonium heptamolybdate as silica and molybdenum source respectively. The sol-gel derived samples were calcined at 500 degrees C and characterized using various physicochemical characterization techniques. The XRD of the calcined samples showed the formation of amorphous phase up to 10 mol\% MoO3 loading and at higher loading of crystalline alpha-MoO3 on amorphous silica support. TEM analyses of the materials showed the uniform distribution of MoO3 nanoparticles on amorphous silica support. Raman spectroscopy showed the formation of silicomolybdic acid at low Mo loading and a mixture of alpha-MoO3 and polymolybdate species at high Mo loadings. Moreover the Raman spectra of intermediate loading samples also suggest the presence of beta-MoO3. Acetalization of glycerol with benzaldehyde was carried out using series of MoO3/SiO2 catalysts with varying MoO3 loadings (1-20 mol\%). Among the series, MoO3/SiO2 With 20 mol\% MoO3 loadings was found to be the most active catalyst in acetalization under mild conditions. Maximum conversion of benzaldehyde (72\%) was obtained in 8 h at 100 degrees C with 60\% selectivity for the six-membered acetal using 20\% MoO3/SiO2. Interestingly with substituted benzaldehydes under same reaction conditions the conversion of aldehydes decreased with increase in selectivity for six-membered acetals. These results indicate the potential of this catalyst for the acetalization of glycerol for an environmentally benign process. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Acetalization, Aldehyde, Glycerol, Silicomolybdic acid, solid acid}, issn = {1381-1169}, doi = {10.1016/j.molcata.2009.06.010}, author = {Shubhangi B. Umbarkar and Kotbagi, Trupti V. and Biradar, Ankush V. and Pasricha, Renu and Chanale, Jyoti and Dongare, Mohan K. and Mamede, Anne-Sophie and Lancelot, Christine and Payen, Edmond} } @article { ISI:000271103500014, title = {Activity and selectivity behavior of 1,2-epoxyethylbenzne hydrogenation in carbon dioxide solvent}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9457-9460}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Catalytic hydrogenation of 1,2-epoxyethylbenzene to 2-phenylethanol over charcoal-supported noble metal in carbon dioxide was studied, and the results were compared with those in heptane and methanol. Charcoal-supported palladium and platinum (Pd/C and Pt/C) catalysts were active metal species for the hydrogenation in solvents. The order of activities over palladium and platinum was heptane \< carbon dioxide \< methanol; however, the formation of dehydroxylated byproduct was suppressed in carbon dioxide solvent. Negative carbon dioxide pressure effect was observed over the Pd/C and Pt/C catalysts in the carbon dioxide solvent.
}, issn = {0888-5885}, doi = {10.1021/ie8018559}, author = {Rode, Chandrashekhar V. and Hiyoshi, Norihito and Mine, Eiichi and Shirai, Masayuki} } @article { ISI:000268795100001, title = {Acute and subacute toxicity studies of chitosan reduced gold nanoparticles: a novel carrier for therapeutic agents}, journal = {Journal of Biomedical Nanotechnology}, volume = {5}, number = {3}, year = {2009}, month = {JUN}, pages = {233-239}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
The objective of the present study was to evaluate the oral toxicity of chitosan reduced gold nanoparticles so as to demonstrate its applicability for drug delivery application. Acute oral toxicity studies in female rats documented no deaths or treatment related complications. The LD(50) value of gold nanoparticles was found to be greater than 2000 mg/kg. In case of sub-acute oral toxicity studies, gold nanoparticles were administered orally to male and female rats for a period of 28-days. At the end of study blood samples were collected for haematology and biochemical analysis. For histopathological analysis, organs of animals were weighed and processed for examination. All animals survived the duration of the study, with no significant changes in clinical signs, body weight, food consumption, hematological parameters, organ weights and histopathological findings. These studies establish that chitosan reduced gold nanoparticles produced no treatment related toxicity in rats following oral administration, thus can be exploited for potential therapeutic applications.
}, keywords = {Acute Toxicity, Chitosan, gold nanoparticles, Sub-Acute Toxicity, Wistar Rats}, issn = {1550-7033}, doi = {10.1166/jbn.2009.1027}, author = {Pokharkar, Varsha and Dhar, Sheetal and Bhumkar, Devika and Mali, Vishal and Bodhankar, Subhash L. and Bhagavatula L. V. Prasad} } @article { ISI:000263158700050, title = {Acylation of nitrobenzene and substituted nitrobenzenes by benzoyl chloride using GaClx- and GaAlClx-grafted meporous Si-MCM-41 catalysts}, journal = {Microporous and Mesoporous Materials}, volume = {119}, number = {1-3}, year = {2009}, month = {MAR}, pages = {360-362}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A acylation of nitrobenzene and substituted nitrobenzene by benzoyl chloride can be accomplished with good yield in a short reaction period (\<= 3 h), even in the presence of moisture, using GaClx- and GaAlClx-grafted mesoporous silica (Si-MCM-41) catalyst. The catalyst is reusable/environmentally friendly. The presence of moisture in the catalyst has beneficial effect on the acylation reaction. (C) 2008 Elsevier Inc. All rights reserved.
}, keywords = {Acylation, Benzoyl chloride, GaAlClx-grafted Si-MCM-41, GaClx-grafted Si-MCM-41, nitrobenzene}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.11.001}, author = {Choudhary, Vasant R. and Jha, Rani} } @article { ISI:000263529500010, title = {Adsorption and desorption kinetics of anionic dyes on doped polyaniline}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {8}, year = {2009}, month = {FEB}, pages = {2293-2299}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this study, we report an approach for the adsorption and desorption of anionic (sulfonated) dyes from aqueous solution by doped polyaniline. In this study, we have synthesized PANI with two dopants, namely, p-toluenesulfonic acid (PTSA) and camphorsulfonic acid (CSA), and used these to adsorb various dyes. It was found that the doped PANI selectively adsorbs anionic dyes and does not adsorb cationic dyes. The adsorption of anionic dyes causes the variation in electrical conductivity of PANI, indicating its potential as a conductometric sensor for these dyes at very low concentration. The adsorbed dyes were desorbed from the polymer by using a basic aqueous solution. The adsorption and desorption kinetics of the dye in the presence of doped PANI were also determined.
}, issn = {1520-6106}, doi = {10.1021/jp809796e}, author = {Mahanta, Debajyoti and Madras, Giridhar and Radhakrishnan, S. and Patil, Satish} } @article { ISI:000269197400006, title = {Adsorption of aqueous selenite [Se(IV)] species on synthetic layered double hydroxide materials}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {17}, year = {2009}, month = {SEP}, pages = {7893-7898}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{Layered double hydroxide materials (Zn/Al, Mg/Al, Zn/Fe) with varying composition (M(2+):M(3+) molar ratio
}, issn = {0888-5885}, doi = {10.1021/ie900136s}, author = {Mandal, Sujata and Mayadevi, S. and Kulkarni, Bhaskar D.} } @article { ISI:000269956500009, title = {Alum: an efficient catalyst for one-pot synthesis of alpha-aminophosphonates}, journal = {Chinese Chemical Letters}, volume = {20}, number = {9}, year = {2009}, month = {SEP}, pages = {1042-1046}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Alum (KAl(SO(4))(2)center dot 12H(2)O) is an inexpensive, efficient, non-toxic and mild catalyst for the one-pot synthesis of alpha-aminophosphonates. A three component reaction of an aldehyde/ketone, an an-tine and triethyl phosphite was carried out under solvent-free conditions to afford the corresponding alpha-aminophosphonates in short reaction times and high yields with the green aspects by avoiding toxic catalysts and solvents. (C) 2009 Murlidhar S. Shingare. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
}, keywords = {Aldehyde/ketone, alpha-Aminophosphonates, Alum, Amine, Solvent-free, Triethyl phosphite}, issn = {1001-8417}, doi = {10.1016/j.cclet.2009.04.024}, author = {Sonar, Swapnil S. and Shelke, Kiran F. and Kakade, Gopal K. and Shingate, Bapurao B. and Shingare, Murlidhar S.} } @article { ISI:000269502300005, title = {Alum catalyzed convenient synthesis of quino [2,3-b][1,5]benzoxazepine alpha-aminophosphonate derivatives}, journal = {Bulletin of the Korean Chemical Society}, volume = {30}, number = {8}, year = {2009}, month = {AUG}, pages = {1711-1714}, publisher = {KOREAN CHEMICAL SOC}, address = {635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREA}, abstract = {
We have described an efficient synthesis of quino[2,3-b][1,5]benzoxazepine alpha-aminophosphonate derivatives by the nucleophilic addition of triethyl phosphite to substituted quino[2,3-b][1,5]benzoxazepines promoted by easily available, inexpensive and mild catalyst KAl(SO(4))(2)center dot 12H(2)O (alum). The reactions proceed smoothly at room temperature under solvent-free reaction conditions and providing high yield of product in very short reaction time.
}, keywords = {5]benzoxazepine, alpha-Aminophosphonate, Alum, Quino[2.3-b][1, Solvent-free, Triethyl phosphite}, issn = {0253-2964}, author = {Sonar, Swapnil S. and Sadaphal, Sandip A. and Shitole, Nana N. and Jogdand, Nivrutti R. and Shingate, Bapurao B. and Shingare, Murlidhar S.} } @article { ISI:000266693600015, title = {Ammonium metavanadate: an effective catalyst for synthesis of alpha-hydroxyphosphonates}, journal = {Arkivoc}, year = {2009}, month = {DEC}, pages = {138-148}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
Ammonium metavanadate (NH(4)VO(3)) is an inexpensive, efficient and mild catalyst for the synthesis of alpha-hydroxyphosphonate derivatives by the reaction of various aryl or heteroaryl aldehydes with triethylphosphite at room temperature. This method affords the alpha-hydroxyphosphonates in short reaction times, under solvent-free conditions, and in high yield.
}, keywords = {Aldehyde, alpha-hydroxyphosphonate, Ammonium metavanadate (NH(4)VO(3)), Solvent-free, Triethyl phosphite}, issn = {1424-6376}, author = {Sonar, Swapnil S. and Kategaonkar, Amol H. and Ware, Madhav N. and Gill, Charansingh H. and Shingate, Bapurao B. and Shingare, Murlidhar S.} } @article { ISI:000267557500025, title = {Antiplasmid activity of 1 {\textquoteleft}-acetoxychavicol acetate from alpinia galanga against multi-drug resistant bacteria}, journal = {Journal of Ethnopharmacology}, volume = {123}, number = {3}, year = {2009}, month = {JUN}, pages = {522-525}, publisher = {ELSEVIER IRELAND LTD}, address = {ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND}, abstract = {
Ethnopharmacological relevance: Alpinia galanga (L.) Swartz is traditionally used in the treatment of various ailments across India, China, and Southeast Asian countries. In India it is a reputed drug in indigenous system of medicine and largely used as antibacterial and antiseptic. In southern India the rhizomes has been used as a domestic remedy against bacterial infections. Aim of the study: To identify a potential antiplasmid compound from Alpinia galanga against multi-drug resistant bacteria. Materials and methods: The crude rhizome extract of Alpinia galanga was prepared in acetone. Antibacterial activity was checked by MIC and antiplasmid activity was checked by SIC. The principal compound responsible for the antiplasmid activity, in the crude extract, was identified by bioassay guided fractionation using hexane-acetone. Antibiotic resistance profile of plasmid harboring strains and plasmid cured strains was determined by disc diffusion method. Results: The crude acetone extract of the rhizomes of Alpinia galanga exhibited antiplasmid activity against Salmonella typhi, Escherichia coli and vancomycin resistant Enterococcus faecalis with an efficiency of 92\%, 82\% and 8\% respectively at 400 mu g/ml SIC. The principal compound responsible for the activity was identified as 1{\textquoteright}-acetoxychavicol acetate. 1{\textquoteright}-Acetoxychavicol acetate demonstrated the ability to cure plasmid encoded antibiotic resistance in various multi-drug resistant bacterial strains of clinical isolates such as Enterococcus faecalis, Salmonella typhi, Pseudomonas aeruginosa, Escherichia coli and Bacillus cereus with curing efficiency of 66\%, 75\%, 70\%, 32\% and 6\% respectively at SIC of 400-800 mu g/ml. Conclusion: 1{\textquoteright}-Acetoxychavicol acetate mediated R-plasmid curing significantly reduced the minimal inhibitory concentration of antibiotics required to inhibit growth of bacteria, thus making the antibiotic treatment more effective. (C) 2009 Elsevier Ireland Ltd. All rights reserved.
}, keywords = {1 {\textquoteleft}-Acetoxychavicol acetate, Alpinia galanga, Antibiotic resistance, Antiplasmid}, issn = {0378-8741}, doi = {10.1016/j.jep.2009.03.028}, author = {Latha, C. and Shriram, Varsha D. and Jahagirdar, Sheetal S. and Dhakephalkar, Prashant K. and Rojatkar, Supada R.} } @article { ISI:000265309100005, title = {Application of a stability-indicating thin-layer chromatographic method to the determination of tenatoprazole in pharmaceutical dosage forms}, journal = {Journal of AOAC International}, volume = {92}, number = {2}, year = {2009}, month = {MAR}, pages = {387-393}, publisher = {AOAC INT}, address = {481 N FREDRICK AVE, STE 500, GAITHERSBURG, MD 20877-2504 USA}, abstract = {
A sensitive, selective, precise, and stability-indicating thin-layer chromatographic (TLC) method was developed and validated for the determination of tenatoprazole both as a bulk drug and in formulation. The method uses TLC aluminum plates precoated with Silica Gel 60(F-254) as the stationary phase and the solvent system toluene-ethyl acetate-methanol (6 + 4 + 1, v/v/v). This system gave compact spots for tenatoprazole (R(f) value of 0.34 +/- 0.02). Tenatoprazole was subjected to acid and alkali hydrolysis, oxidation, and photodegradation. The peaks of the degradation products were well-resolved from that of the pure drug and had significantly different Rf values. Densitometric analysis of tenatoprazole was performed in the absorbance mode at 306 nm. The linear regression analysis data for the calibration plots showed a good linear relationship over the concentration range of 100-1500 ng/spot. The mean values of the correlation coefficient, slope, and intercept were 0.9989 +/- 1.42, 10.27 +/- 0.965, and 4894.2 +/- 1.24, respectively. The method was validated for precision, robustness, and recovery. The limit of detection and limit of quantitation were 50 and 100 ng/spot, respectively. Statistical analysis showed that the method is repeatable and selective for estimation of tenatoprazole. Because the method can separate the drug from its degradation products, it can be used to monitor stability.
}, issn = {1060-3271}, author = {Dhaneshwar, Sunil R. and Bhusari, Vidhya K. and Mahadik, Mahadeo V. and Santhakumari, B.} } @article { ISI:000264978500019, title = {Applications of a high performance platinum nanocatalyst for the oxidation of alcohols in water}, journal = {Green Chemistry}, volume = {11}, number = {4}, year = {2009}, month = {FEB}, pages = {554-561}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Nanoparticles of platinum (NP-Pt), have been synthesized by supporting high nuclearity anionic carbonyl cluster (Chini cluster) on a water soluble anion exchanger, and the performance of this material, 1, as an oxidation catalyst for alcohols in water has been studied. The E-factor for the synthesis of NP-Pt by this method has been calculated and compared with that of other NP-Pt recently reported in the literature. With 1 as a catalyst, oxidations of a variety of primary and secondary alcohols by dioxygen are achieved and high turnover numbers and selectivities are obtained. The performances of 1 in the oxidation of benzyl alcohol and 1-phenylethanol are compared with those of three other platinum catalysts. These are platinum nanoparticles 2 prepared by the hydrogen reduction of [PtCl6](2-) supported on the same water soluble polymer, 5\% Pt on carbon, and 5\% Pt on alumina, designated as 3 and 4, respectively. 1 has been found to be considerably more active than 2- 4 and also other reported water soluble platinum nanocatalysts. After many turnovers (similar to 1000 and similar to 165 for benzyl alcohol and 1-phenyl ethanol, respectively) partial deactivation (similar to 40\%) is observed, but the deactivated catalyst can be fully regenerated by treatment with dihydrogen. The TEM data of fresh, deactivated and regenerated 1 show a correlation between the particle size and activity. A mechanism consistent with this and other experimental observations including XPS data is proposed.
}, issn = {1463-9262}, doi = {10.1039/b815948c}, author = {Maity, Prasenjit and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000261909800003, title = {Arthrobacter sp lipase immobilization for preparation of enantiopure masked beta-amino alcohols}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {17}, number = {1}, year = {2009}, month = {JAN}, pages = {29-34}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Recent reports on immobilization of lipase from Arthrobacter sp. (ABL, MTCC 5125; IIIM isolate) on insoluble polymers have shown altered properties including stability and enantioselectivity. Present work demonstrates a facile method for the preparation of enantiopure beta-amino alcohols by modulation of ABL enzyme properties via immobilization on insoluble as well as soluble supports using entrapment/covalent binding techniques. Efficacies of immobilized ABL on insoluble supports prepared from tetraethylorthosilicate/aminopropyltriethoxy silane and soluble supports derived from copolymerization of N-vinyl pyrrolidone-allylglycidyl ether (ANP type)/N-vinyl pyrrolidone-glycidyl methacrylate ( GNP type) for kinetic resolution of masked beta-amino alcohols have been studied vis-a-vis free ABL enzyme/wet cell biomass. The immobilized lipase on different insoluble/soluble supports has shown 21 - 110 mg/g protein binding and 30 - 700 U/g activity for hydrolyzing tributyrin substrate. The findings have shown a significant enhancement in enantioselectivity (ee 99\%) vis-a-vis wet cell biomass providing ee 70-90\% for resolution of beta-amino alcohols. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Arthrobacter sp lipase, beta-Aminoalcohol, Enantioselectivity, Immobilization, soluble polymer}, issn = {0968-0896}, doi = {10.1016/j.bmc.2008.11.023}, author = {Chaubey, Asha and Parshad, Rajinder and Gupta, Pankaj and Taneja, Subhash C. and Qazi, Ghulam N. and Rajan, C. R. and Ponrathnam, S.} } @article { ISI:000265186800069, title = {Assembly of gold nanoparticles on single-walled carbon nanotubes by using click chemistry}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {5}, year = {2009}, month = {MAY}, pages = {3261-3263}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Azide moiety-functionalized gold nanoparticles were conjugated with acetylene functionalized single-walled carbon nanotubes by employing copper-catalyzed Huisgen{\textquoteright}s [3+2] dipolar cycloaddition {\textquoteleft}click chemistry{\textquoteright} reaction. Evidences of conjunction were observed by TEM, EDX and Raman images.
}, keywords = {Carbon nanotubes, Click chemistry, Functionalization, Nanoparticles}, issn = {1533-4880}, doi = {10.1166/jnn.2009.035}, author = {Rana, Sravendra and Kumar, Indresh and Yoo, Hye Jin and Cho, Jae Whan} } @article { ISI:000263299000005, title = {Asymmetric synthesis of tetrahydroquinolin-3-ols via CoCl2-catalyzed reductive cyclization of nitro cyclic sulfites with NaBH4}, journal = {Organic Letters}, volume = {11}, number = {4}, year = {2009}, month = {FEB}, pages = {803-806}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new method for the construction of chiral 3-substituted tetrahydroquinoline derivatives based on asymmetric dihydroxylation and CoCl2-catalyzed reductive, cyclization of nitro cyclic sulfites with NaBH4 has been described with high optical purities. This method has been successfully applied in the formal synthesis of PNU 95666E and anachelin H chromophore.
}, issn = {1523-7060}, doi = {10.1021/ol8028109}, author = {Jagdale, Arun R. and Reddy, R. Santhosh and Sudalai, Arumugam} } @article { ISI:000268403100027, title = {Atomic sizes from atomic interactions}, journal = {Journal of Molecular Structure}, volume = {930}, number = {1-3}, year = {2009}, month = {JUL}, pages = {162-166}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We obtain an atomic size, r(nZ)(c), in the presence of an interaction (represented by an electron-hole pair, e(-)h(+) as in vacuum polarization techniques) as a sum of contribution, r(nv), from the interaction of n(val) valence sand p-electrons and a contribution r(RG) from inner filled shell electrons with rare-gas configuration. The method is applicable to all elements for a given electron configuration that is usually available simply from the position of the elements in the periodic table. The sizes thus obtained are close to other {\textquoteleft}{\textquoteleft}core sizes{\textquoteright}{\textquoteright} obtained in the literature. The transition metal elements are treated as group II elements. This method gives sizes for the actinide and trans-actinide elements without requiring relativistic corrections. The importance of these sizes in interpreting interatomic distances in terms of electronic configuration is illustrated for actinide elements. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Atomic size, Ionic radii, Vacuum polarization}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.05.008}, author = {Ganguly, Parthasarathy} } @article { ISI:000264313200007, title = {Autocatalysis: a unit process of biological systems}, journal = {Chemical Engineering Progress}, volume = {105}, number = {3}, year = {2009}, month = {MAR}, pages = {8}, publisher = {AMER INST CHEMICAL ENGINEERS}, address = {3 PARK AVE, NEW YORK, NY 10016-5901 USA}, issn = {0360-7275}, author = {Gadgil, Chetan J. and Kulkarni, B. D.} } @article { ISI:000263980300001, title = {Autocatalysis in biological systems}, journal = {Aiche Journal}, volume = {55}, number = {3}, year = {2009}, month = {MAR}, pages = {556-562}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, issn = {0001-1541}, doi = {10.1002/aic.11842}, author = {Gadgil, Chetan J. and Kulkarni, B. D.} } @article { ISI:000269655000076, title = {Azoic dye hosted in layered double hydroxide: physicochemical characterization of the intercalated materials}, journal = {Langmuir}, volume = {25}, number = {18}, year = {2009}, month = {SEP}, pages = {10980-10986}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Intercalation compounds were obtained by introduction of guest methyl orange (MO) into the interlayer space of host Mg/Al and Ni/Al layered double hydroxides (LDHs). Three synthesis methods of organic anion-LDH intercalation compounds, i.e., coprecipitation, reconstruction of the M(II)(Al)O mixed oxides, and anion exchange of LDH were compared. The former Method gives rise to a highly organized MO-intercalated Mg/Al LDH with an interlayer spacing of 2.43 rim and up to seven (001) reflection orders. Reconstruction or the mixed oxide by intercalation with MO in the restored LDH was only achieved with Mg(Al)O. In this case. a competitive adsorption of MO on the external Surface Of the crystals was also seen. On the other hand, intercalation compounds exhibiting interlayer spacing of 2.43 run were obtained with both Mg- and Ni-containing LDH using the anionic exchange method. The equilibrium and kinetic adsorption properties of the compounds were analyzed by UV-visible spectroscopy in anionic exchange experiments. According to the pseudo-second-order adsorption model, the amounts of adsorbed MO reach 3.82 and 2.83 mequiv/g for Mg- and Ni-containing LDHs, respectively, which are close to their respective anionic exchange capacity. The adsorption rates are on the same order of magnitude for the two LDHs (0.10-0.44 g mmol(-1) min(-1)), the equilibrium being reached in less than 60 min. The decomposition of MO by combustion of the organic moieties under an oxidizing atmosphere is delayed in Mg-containing MO-LDH hybrids when compared to the free MO molecule, showing that the thermal stability of MO species is enhanced after intercalation. In Ni-containing LDH, the main decomposition step of MO occurs 300 degrees C below that of Mg-containing LDH. This was rationalized in terms of a catalysis by the Ni-containing oxides formed during the thermal treatment. So these materials exhibit several advantage useful for the development of eco-friendly processes for the removal Of dyes from effluents of textile, plastic, and paper industries.
}, issn = {0743-7463}, doi = {10.1021/la901201s}, author = {Mandal, Sujata and Tichit, Didier and Lerner, Dan A. and Marcotte, Nathalie} } @article { ISI:000263509700017, title = {Benzoylation of anisole over silicotungstic acid modified mesoporous alumina}, journal = {Catalysis Letters}, volume = {128}, number = {3-4}, year = {2009}, month = {MAR}, pages = {363-372}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Mesoporous alumina (MA) molecular sieves were synthesized by using aluminum sec-butoxide as Al precursor and lauric acid as the structure directing agent. The synthesized MA was functionalized with silicotungstic acid (STA) via wet impregnation method and characterized by various physico-chemical techniques. The XRD patterns of a series of HPA functionalized MA are showing the ordered structures. N(2) sorption analysis shows type IV isotherm. NH(3)-TPD measurements revealed an increase in number of acid sites with an increase in loading of STA over MA. At the same time decrease in the acidity was observed with the increase in calcination temperature of the supported materials. Functionalization of STA were also carried out over different alumina supports such as catapol-B (CB) and alumina synthesized without surfactant (ASW) and their activities were evaluated by carrying out liquid phase Friedel-Craft acylation (FC) reaction of anisole with p-toluoyl chloride in a batch reactor at 120 degrees C. Recycling was performed in the FC reaction using 30 wt\% STA-MA two times and no major deactivation of the catalyst was observed.
}, keywords = {Friedel-Craft acylation, Mesoporous alumina, Silicotungstic acid}, issn = {1011-372X}, doi = {10.1007/s10562-008-9755-3}, author = {Selvakumar, S. and Singh, A. P.} } @article { ISI:000270147700049, title = {Biochemical characterization of two xylanases from yeast Pseudozyma hubeiensis producing only xylooligosaccharides}, journal = {Bioresource Technology}, volume = {100}, number = {24}, year = {2009}, month = {DEC}, pages = {6488-6495}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Two distinct xylanases from Pseudozyma hubeiensis NCIM 3574 were purified to homogeneity. The molecular masses of two native xylanases were 33.3 kDa (PhX33) and 20.1 kDa (PhX20). PhX33 is predominant with alpha-helix and PhX20 contained predominantly beta-sheets. Xylanase, PhX33, possesses three tryptophan and one carboxyl residues at the active site. The active site of PhX20 comprises one residue each of tryptophan, carboxyl and histidine. Carboxyl residue is mainly involved in catalysis and tryptophane residues are solely involved in substrate binding. Histidine residue present at the active site of PhX20 appeared to have a role in substrate binding. Both the xylanases produced only xylooligosaccharides (XOS) with degree of polymerization (DP) 3-7 without formation of xylose and xylobiose. These XOS could be used in functional foods or as prebiotics. Lc ms-ms ion search of cryptic digestion of these xylanases revealed that there is no significant homology of peptides with known fungal xylanase sequences which indicate that these xylanases appear to be new. (c) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Cellulase-free xylanase, Pseudozyma hubeiensis, Xylooligosaccharides}, issn = {0960-8524}, doi = {10.1016/j.biortech.2009.07.064}, author = {Adsul, Mukund G. and Bastawade, Kulbhushan B. and Gokhale, Digambar V.} } @article { ISI:000266712800028, title = {Biodegradation and phenol tolerance by recycled cells of candida tropicalis NCIM 3556}, journal = {International Biodeterioration \& Biodegradation}, volume = {63}, number = {4}, year = {2009}, month = {JUN}, pages = {539-542}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Resting cells of Candida tropicalis NCIM 3556 rapidly degraded almost completely 2 g L(-1) phenol in 16h. In this study, we explored the possibility of further increasing the efficiency of the culture by repeatedly reusing the cell for biodegradation. The effect of continuous recycling of whole cells of C. tropicalis, for biodegradation of phenol indicated that though with each recycle of the cell there was steady decline in phenol biodegradation the conversion was appreciable for five recycle (similar to 70\%) and reached half-life of 50\% after eleven recycles. Inhibition due to substrate, recycling of cells and adaptation of residual cell were estimated and an equation derived; which indicated that the cell resilience to phenol increased with each cycle and at the end of eleven recycle adaptation was 68\%. However, when the adapted cells were sub cultured and showed marginal increase \<10\% in biodegradation. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Biodegradation, Candida tropicalis, Inhibition, phenol, Recycle, Tolerance}, issn = {0964-8305}, doi = {10.1016/j.ibiod.2009.01.001}, author = {Varma, R. J. and Gaikwad, B. G.} } @article { ISI:000273349000001, title = {Bond length variations: electron number profiles and transferable atomic sizes}, journal = {Journal of Molecular Structure}, volume = {936}, number = {1-3}, year = {2009}, month = {NOV}, pages = {1-8}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A profile of the number of electrons with distance along the M-X bond in gas-phase diatomic molecules has been obtained from electron density plots calculated using DFT B3LYP 6-311G** method for some representative molecules. This {\textquoteleft}{\textquoteleft}number profile{\textquoteright}{\textquoteright} is compared with that expected from the partitioning of the 1D bond-distance into atom-specific transferable {\textquoteleft}{\textquoteleft}hub{\textquoteright}{\textquoteright} or core atomic sizes of the M and X atoms and another {\textquoteleft}{\textquoteleft}axle{\textquoteright}{\textquoteright} size which is associated with a pair of (bonding) electrons. The {\textquoteleft}{\textquoteleft}hub{\textquoteright}{\textquoteright} size is proportional to a core atom-specific size, r(nZ)(c) with r(nZ)(c)(M) \>= r(nZ)(c)(X). For {\textquoteleft}{\textquoteleft}single bonds{\textquoteright}{\textquoteright}, the {\textquoteleft}{\textquoteleft}hub{\textquoteright}{\textquoteright} size for M atom is C(M)r(nZ)(c)(M) and for X atom is C(X)r(nZ)(c)(X). The {\textquoteleft}{\textquoteleft}axle{\textquoteright}{\textquoteright} size, DMX, is usually the ordinary (similar to 4a(H)/3 where a(H) is the Bohr radius of the hydrogen atom) or elongated (similar to 2a(H)) bond length of the hydrogen molecule. The {\textquoteleft}{\textquoteleft}hub{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}axle{\textquoteright}{\textquoteright} sizes could be characterized {\textquoteleft}{\textquoteleft}charge-transfer{\textquoteright}{\textquoteright} (C(M) = pi(2/3) = 2.144; C(X) = pi(4/3)/2 = 2.300 and D(MX) = 4a(H)/3) or {\textquoteleft}{\textquoteleft}neutral{\textquoteright}{\textquoteright} (CM or C(X) = 1, 2, ... and D(MX) = 2a(H)). We use a new {\textquoteleft}{\textquoteleft}static{\textquoteright}{\textquoteright} or {\textquoteleft}{\textquoteleft}peripatetic{\textquoteright}{\textquoteright} classification for the core sizes which is derived from a new condition for metallization in elements based on atomic size. The charge-transfer distance, d(MX)(+/-), is usually found for {\textquoteleft}{\textquoteleft}static{\textquoteright}{\textquoteright} conditions while the {\textquoteleft}{\textquoteleft}neutral{\textquoteright}{\textquoteright} description is usually found when X = F or for {\textquoteleft}{\textquoteleft}peripatetic{\textquoteright}{\textquoteright} conditions. Such a partitioning is seen to agree with that from the plot of the total number of electrons, N(el), vs r along a bond axis. The Nel vs r plots from each atom are described by a simple hydrogen-atom-like function which differ away ({\textquoteright}{\textquoteright}out{\textquoteright}{\textquoteright}) or towards ({\textquoteright}{\textquoteright}in{\textquoteright}{\textquoteright}) the M-X bond. Thus N(in,out)(M, X) = (Z(M,X) +/- 1) exp (-r/B(in,out)) where the minus sign is associated with M and plus sign with X and Bin, out being related inversely to the Slater orbital exponent. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {B3LYP, Bond length, Bond-stretch isomer, DFT, Diatomic molecule}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.07.007}, author = {Ganguly, Parthasarathy and Kulkarni, Bhakti S. and Pal, Sourav} } @article { ISI:000266071900010, title = {Brevibacillus sp: a novel thermophilic source for the production of bile salt hydrolase}, journal = {Applied Biochemistry and Biotechnology}, volume = {157}, number = {2}, year = {2009}, month = {MAY}, pages = {254-262}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
A thermophilic microorganism growing within the temperature range of 40-65 A degrees C (optimum at 55 A degrees C) was isolated from hot water springs near Konkan, Maharashtra, India. Based on 16S rDNA sequence analysis, it was concluded that the isolate belongs to the genus Brevibacillus. The present paper reports the isolation, identification, and standardization of fermentation conditions for the production of enzyme, bile salt hydrolase (EC 3.5.1.24) which is produced intracellularly at high temperatures. This is the first report regarding the production of bile salt hydrolase from a thermophilic source. Optimization of fermentation conditions resulted in a 2.9-fold enhancement in enzyme production.
}, keywords = {Bile salt hydrolase, Brevibacillus sp, Fermentation, Glycodeoxycholic acid, Hot springs, Thermophile}, issn = {0273-2289}, doi = {10.1007/s12010-008-8326-9}, author = {Sridevi, N. and Prabhune, Asmita} } @article { ISI:000207861902126, title = {CARB 36-Novel and structurally biased backbone modifications of nucleic acids}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {238}, year = {2009}, month = {AUG}, pages = {Meeting Abstract : 36-CARB}, publisher = {AMER CHEMICAL SOC}, type = {Meeting Abstract}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0065-7727}, author = {Kumar, Vaijayanti A.} } @article { ISI:000270362100043, title = {Carbon nanofiber with selectively decorated pt both on inner and outer walls as an efficient electrocatalyst for fuel cell applications}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {40}, year = {2009}, month = {OCT}, pages = {17572-17578}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A novel electrocatalyst, with excellent Pi dispersion oil the inner and outer wall of a carbon nanofiber (CNF) was prepared by a modified polyol process in which both surface tension and polarity characteristics of the medium were properly adjusted to favor solution entry into the tubular region by capillary filling and homogeneous wetting of the inner wall surface by the solvents. The pristine CNF, which possesses an inherently active inner wall surface and inactive outer Wall surface, led to selective Pt deposition along the inner wall, whereas activation of the outer wall with chemical functionalization resulted in excellent dispersion of Pt along both inner and outer walls. Structural and morphological characterizations using high resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD) revealed that when Pt could be dispersed along the inner as well as the Outer walls of CNF, the Pt particle size decreased to almost half as compared to the one With Pt decoration only along a single wall of the Substrate material. Further, electrochemical studies using cyclic voltammetry (CV) and rotating disk electrode (RDE) measurements revealed enhanced methanol oxidation and oxygen reduction properties, respectively. The electrochemical active area obtained for the catalyst with both inner and outer wall Pt decoration wits nearly two times higher than that corresponding to the one with only inner wall Pt decoration. Similarly, the rate constant for the oxygen reduction reaction displayed by this sample was four times higher in comparison with the sample prepared by Utilizing only one wall for Pt decoration.
}, issn = {1932-7447}, doi = {10.1021/jp9042655}, author = {Balan, Beena K. and Unni, SreeKuttan M. and Kurungot, Sreekumar} } @article { ISI:000270000000028, title = {Carboxylic-functionalized water soluble pi-conjugated polymer: highly selective and efficient chemosensor for mercury(II) ions}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {47}, number = {19}, year = {2009}, month = {OCT}, pages = {5144-5157}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Here, we report a new carboxylic-functionalized water soluble pi-conjugated polymer for selective detection of highly toxic Hg(2+) in neutral pH condition. carboxylic-functionalized thiophene containing oligophenylenevinylene was synthesized and polymerized under oxidative route to obtain water soluble polymer. Free carboxylic groups present in the pi-conjugated materials provide opportunity to use pH as external stimuli for studying secondary interaction such as hydrogen bonding and aromatic pi-stacking of the chromophores. The pH changes strongly influence on the molecular interactions in the monomer, whereas the long chain polymer was less disturbed. The polymer showed high selectivity for detecting Hg(2+) ions compared with any other transition metal ions in water. The detection efficiency of the polymer was found almost 40 times higher than that of its monomeric unit. Stern-Volmer constant for the Hg(2+) ion sensing was determined through concentration dependent studies as 6.4 x 10(5) M(-1). The carboxylic-functionalized polymer showed reversibility in the metal-ion detecting capabilities which was further investigated by NaCl complexation with Hg(2+) complex. Both funneling of excitation energy to the Hg(2+) center and also excitation energy migration through chain pi-conjugated backbone were correlated to the superior sensing characteristics of the polymer compared to its monomeric counterpart. (C) 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 5144-5157, 2009
}, keywords = {conjugated polymer, pH sensitive, photophysical studies, sensing, synthesis, water soluble}, issn = {0887-624X}, doi = {10.1002/pola.23566}, author = {Balamurugan, A. and Reddy, M. L. P. and Jayakannan, M.} } @article { ISI:000271443200015, title = {Catalytic activity of cobalt containing MCM-41 and HMS in liquid phase oxidation of diphenylmethane}, journal = {Catalysis Letters}, volume = {133}, number = {1-2}, year = {2009}, month = {NOV}, pages = {106-111}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Cobalt containing MCM-41 and HMS were synthesized by direct hydrothermal (DHT) and post synthesis methods (grafting and immobilization). The catalytic activity of these materials was investigated in the liquid phase oxidation of diphenylmethane at 80 A degrees C with TBHP (70 wt\%) as oxidant. Comparative study of cobalt containing MCM-41 and HMS was carried out to reveal the catalytic performance of framework, extraframework and immobilized cobalt species. The role of the solvent in the performance of catalyst was examined with different polar and non polar solvents. Oxidation of diphenylmethane in solvent free media (under similar reaction conditions) shows formation of hydroxy derivatives of benzophenone in addition to main product (benzophenone). Hundred percent selectivity to benzophenone was obtained when the reaction was carried out in solvent.
}, keywords = {diphenylmethane, HMS, Immobilization, MCM-41, XRD}, issn = {1011-372X}, doi = {10.1007/s10562-009-0162-1}, author = {Bhoware, Shrikant S. and Kamble, K. R. and Singh, A. P.} } @article { ISI:000270665200029, title = {Catalytic aerobic oxidation of cyclohexane and ethyl benzene over chromium-containing mesoporous organosilicas}, journal = {Catalysis Letters}, volume = {132}, number = {3-4}, year = {2009}, month = {OCT}, pages = {492-499}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Chromium-containing ethane-bridged hybrid periodic mesoporous organosilicas (Cr-PMO) were synthesized using 1,2-bis(triethoxysilyl) ethane (BTEE) and tetraethyl orthosilicate (TEOS) as silica sources and alkyltrimethyl ammonium salts as surfactants by two different synthesis routes. PXRD and N(2) adsorption-desorption analysis shows that the original structure of the materials is maintained after chromium substitution while spectroscopic study proves the incorporation of chromium in the frame wall positions and show the existence of Cr(2)O(3) species in the mixed silica source (BTEE-TEOS) synthesized chromium samples. The catalytic activity of the newly developed chromium samples was evaluated in the liquid phase oxidation of cyclohexane and ethylbenzene using air as an oxidant. Further, the Cr-PMO samples exhibited better cyclohexane conversion and cyclohexanone selectivity than the conventional Cr-MCM-41 and other metal-containing MCM-41 samples. The exceptional activity of the new chromium-containing molecular sieves is attributed to the hydrophobicity of the materials and to the complementary structural features that facilitates the accessibility of substrate to the active framework chromium sites.
}, keywords = {Cr-MCM-41, Cyclohexane, Ethyl benzene, Organosilicas, Oxidation}, issn = {1011-372X}, doi = {10.1007/s10562-009-0121-x}, author = {Singh, A. P. and Torita, N. and Shylesh, S. and Iwasa, N. and Arai, M.} } @article { ISI:000264614500017, title = {Catalytic meerwein-ponndorf-verley reductions over mesoporous silica supports: rational design of hydrophobic mesoporous silica for enhanced stability of aluminum doped mesoporous catalysts}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {301}, number = {1-2}, year = {2009}, month = {MAR}, pages = {118-126}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A series of aluminum isopropoxide-grafted mesoporous organosilica having ethane (-CH(2)-CH(2)-) and ethene (-CH=CH-) groups in the frame wall positions (ethane-silica, ethene-silica) as well as mesoporous silicas (MCM-41, MCM-48. SBA-15) through siloxide linkages were fabricated. The samples were used as catalysts in the Meerwein-Ponndorf-Verley reduction of ketones and aldehydes of different nature and size using secondary alcohols as the hydrogen transfer agents. Aluminum isopropoxide supported mesoporous silica samples show higher catalytic conversion and among them, the one-dimensionally channel oriented Si-MCM-41 supported aluminum isopropoxide shows better results than the three-dimensional Si-MCM-48 and the large pore Si-SBA-15. Compared to aluminum isopropoxide-grafted mesoporous silica samples, aluminum alkoxide-grafted organosilica samples shows better catalytic activity even in the presence of 10\% of water and the better stability is attributed to the presence of integrated hydrophobic organic groups in the frame wall positions. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Aluminum isopropoxide, Mesoporous silica, Organosilica, reduction}, issn = {1381-1169}, doi = {10.1016/j.molcata.2008.11.020}, author = {Shylesh, S. and Kapoor, Mahendra P. and Juneja, Lekh R. and Samuel, Prinson R. and Srilakshmi, Ch and Singh, A. R.} } @article { ISI:000269664200021, title = {Catalytic synthesis of chalcone and flavanone using Zn-Al hydrotalcite adhere ionic liquid}, journal = {Catalysis Communications}, volume = {10}, number = {14}, year = {2009}, month = {AUG}, pages = {1881-1888}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The Claisen-Schmidt condensation of 2{\textquoteright}-hydroxy acetophenone and benzaldehyde to chalcone and flavanone show that calcined Zn-Al (6) hydrotalcite is active for this synthesis. Coating of ionic liquid {\textquoteleft}1-(tri-ethoxy-silyl-propyl)-3-methyl-imidazolium chloride{\textquoteright} on Zn-Al hydrotalcites was accomplished employing incipient wetness process and on NaY, NaX, MK-5 and silica gel employing co-condensation methodology. Impregnated IL on calcined Zn-Al (6) catalysts were characterized by XRD, SEM, BET, (13)C and (27)Al NMR analysis and the activity of these catalysts were investigated for chalcone and flavanone synthesis. (27)Al CP MAS NMR technique was used to show that interaction of IL with hydrotalcite modifies the acid-base sites and is responsible for enhancement of catalyst activity. Several aromatic aldehydes were screened to assess the general applicability of the system. (c) 2009 Published by Elsevier B.V.
}, keywords = {(27)Al CP MAS NMR, chalcone, Claisen-Schmidt condensation, Flavanone, Ionic liquid, Zn-Al hydrotalcite}, issn = {1566-7367}, doi = {10.1016/j.catcom.2009.06.018}, author = {Kunde, Lalita B. and Gade, Swapna M. and Kalyani, Vishwanath S. and Gupte, Sunil P.} } @article { ISI:000261922400011, title = {Cell proliferation and controlled drug release studies of nanohybrids based on chitosan-g-lactic acid and montmorillonite}, journal = {Acta Biomaterialia}, volume = {5}, number = {1}, year = {2009}, month = {JAN}, pages = {93-100}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The present paper reveals the potential uses of novel hybrids of chitosan-g-lactic acid and sodium montmorillonite (MMT) in controlled drug delivery and tissue engineering applications. The drug-loaded novel nanohybrid films and porous scaffolds have been prepared by solvent casting and freeze-drying of the grafted polymer solution, respectively. Sodium Ibuprofen was loaded into nanohybrids of chitosan-g-lactic acid/sodium montmorillonite (CS-g-LA/MMT). Grafting of lactic acid and the drug loading were characterized by Fourier transform infrared spectroscopy. Formation of intercalated nanocomposites was confirmed by X-ray diffraction. Mechanical properties measurements have shown improvement in modulus and strength with expense of elongation by MMT reinforcement. The nanohybrids were found to be stable regardless of pH of the medium. The cell proliferation profile also shows that prepared nanohybrids are biocompatible. MMT reinforcement was found to control the drug (Ibuprofen) release rate in phosphate buffer saline solution (pH 7.4). MMT clay is therefore a viable additive for formulating sustained drug delivery systems based on lactic acid grafted chitosan. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Chitosan, clay, Controlled release, drug delivery systems, Nanocomposites}, issn = {1742-7061}, doi = {10.1016/j.aetbio.2008.08.007}, author = {Depan, Dilip and Kumar, Annamalai Pratheep and Singh, Raj Pal} } @article { ISI:000271494300030, title = {Cellulases from penicillium janthinellum mutants: solid-state production and their stability in ionic liquids}, journal = {Bioresources}, volume = {4}, number = {4}, year = {2009}, month = {AUG}, pages = {1670-1681}, publisher = {NORTH CAROLINA STATE UNIV DEPT WOOD \& PAPER SCI}, address = {CAMPUS BOX 8005, RALEIGH, NC 27695-8005 USA}, abstract = {
The cellulase production by P. janthinellum mutants on lignocellulosic material such as cellulose or steam exploded bagasse (SEB) in combination with wheat bran was studied in solid state fermentation (SSF). One of the mutants, EU2D21, produced the highest levels of endoglucanase (3710 IU g(-1) carbon source) and beta-glucosidase (155 IU g(-1) carbon source). Ionic liquids are so-called green solvents that have become attractive for biocatalysis. Stability of mutant cellulases was tested in 10-50\% of the ionic liquid 1-butyl-3-methylimidazolium chloride ([bmim]Cl). FPA and CMCase were significantly stable in 10\% ionic liquid after 5h. beta-glucosidase showed 85\% of its original activity after 5 h incubation in 30\% ionic liquid and retained 55\% of its activity after 24 h. This enzyme preparation hydrolyzed ionic-liquid-treated SEB completely in 15 h in the presence of 20\% ionic liquid. These studies revealed that there is no need of regenerating cellulose after ionic liquid treatment, since cellulase of mutant strain was found to be significantly stable in the ionic liquid.
}, keywords = {Cellulase stability, Ionic liquid, Mutant cellulase, Solid state fermentation}, issn = {1930-2126}, author = {Adsul, Mukund G. and Terwadkar, Asawari P. and Varma, Anjanikumar and Gokhale, Digambar V.} } @article { ISI:000269197400037, title = {CFD Simulation of bubble columns: modeling of nonuniform gas distribution at sparger}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {17}, year = {2009}, month = {SEP}, pages = {8186-8192}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Most laboratory bubble columns are equipped with sieve plate spargers. The sieve plate spargers are known to lead to nonuniform gas distribution. It is important to account for such nonuniform gas distribution at the sparger in the computational model before experimental data collected from such columns are used to fit the model parameters. In this article, such an attempt is made. A detailed, 3D CFD model was developed to simulate unsteady gas-liquid flows in bubble Columns with sieve plate spargers. The sensitivity of the nonuniformity of gas distribution at the sparger with sparger resistance was examined. The model predictions were compared with the experimental data. The developed model and presented results will be useful for Simulating industrial bubble columns.
}, issn = {0888-5885}, doi = {10.1021/ie8018593}, author = {Rampure, M. R. and Mahajani, S. M. and Ranade, V. V.} } @article { ISI:000271838100014, title = {C-H center dot center dot center dot N hydrogen bonds mediated solid state structures of 2,2 {\textquoteleft}-bis (4-pyridylsulfanylmethyl)-1,1 {\textquoteleft}-biphenyl and 9-(4-pyridylsulfanyl)phenanthrene}, journal = {Journal of Molecular Structure}, volume = {937}, number = {1-3}, year = {2009}, month = {NOV}, pages = {81-84}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Solid state structure elucidation of sulfanyl ligands, 2,2{\textquoteright}-bis(4-pyridylsulfany[methyl)-1,1{\textquoteright}-biphenyl, L(1) and 9-(4-pyridylsulfanyl)plienanthrene, L(2) are reported. In the structures L(1) and L(2), the molecules are self-assembled through C-H center dot center dot center dot N hydrogen bonds, yielding ensembles of cyclic and helical networks. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {hydrogen bonds, noncovalent interactions, Supramolecular assemblies}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.08.020}, author = {Upadhye, Ketaki and PrakashaReddy, J. and Pedireddi, V. R.} } @article { ISI:000268335600001, title = {Challenges associated with metal chelation therapy in alzheimer{\textquoteright}s disease}, journal = {Journal of Alzheimers Disease}, volume = {17}, number = {3}, year = {2009}, month = {JUL}, pages = {457-468}, publisher = {IOS PRESS}, address = {NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS}, abstract = {
A close association between brain metal dishomeostasis and the onset and/or progression of Alzheimer{\textquoteright}s disease ( AD) has been clearly established in a number of studies, although the underlying biochemical mechanisms remain obscure. This observation renders chelation therapy an attractive pharmacological option for the treatment of this disease. However, a number of requirements must be fulfilled in order to adapt chelation therapy to AD so that the term {\textquoteleft}{\textquoteleft}metal targeted strategies{\textquoteright}{\textquoteright} seems now more appropriate. Indeed, brain metal redistribution rather than brain metal scavenging and removal is the major goal of this type of intervention. The most recent developments in metal targeted strategies for AD will be discussed using, as useful examples, clioquinol, curcumin, and epigallocatechin, and the future perspectives will also be outlined.
}, keywords = {Alzheimer{\textquoteright}s disease, clioquinol, cuprizone, metal dishomeostasis, metal ions, nanomedicine, Parkinson{\textquoteright}s disease, polyphenols}, issn = {1387-2877}, doi = {10.3233/JAD-2009-1068}, author = {Hegde, Muralidhar L. and Bharathi, P. and Suram, Anitha and Venugopal, Chitra and Jagannathan, Ramya and Poddar, Pankaj and Srinivas, Pullabhatla and Sambamurti, Kumar and Rao, Kosagisharaf Jagannatha and Scancar, Janez and Messori, Luigi and Zecca, Luigi and Zatta, Paolo} } @article { ISI:000268650600020, title = {On the change in bacterial size and magnetosome features for magnetospirillum magnetotacticum (MS-1) under high concentrations of zinc and nickel}, journal = {Biomaterials}, volume = {30}, number = {25}, year = {2009}, month = {SEP}, pages = {4211-4218}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The characteristic size, shape and specific alignment of magnetite crystals synthesized by magnetotactic bacteria is a highly coordinated process with precise control over magnetosome vesicle formation, uptake and transport of Fe, and magnetite biomineralization. Magnetosome membranes along with some specific membrane proteins regulate crystal nucleation and morphology of magnetite. Several previous works have indicated that the morphology of mature magnetite crystals is largely unaffected by environmental conditions, though some recent studies have shown the possibility of manipulation of the biomineralization process. In this study we have examined the effects of high concentrations of Zinc and Nickel on the growth of Magnetospirillum magnetotacticum (MS-1) and the corresponding magnetosome formation. Using various characterizations it is shown that the growth of the bacterial cells, as well as the size, shape and magnetosome chain alignment is significantly influenced in the presence of high concentrations of Zn or Ni. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Biomineralization, magnetite, Magnetosome, Magnetospirillum magnetotacticum, Nickel, zinc}, issn = {0142-9612}, doi = {10.1016/j.biomaterials.2009.04.039}, author = {Kundu, S. and Kale, A. A. and Banpurkar, Arun G. and Kulkarni, G. R. and Ogale, S. B.} } @article { ISI:000269374500012, title = {Changes in volatile composition during fruit development and ripening of {\textquoteleft}Alphonso{\textquoteright} mango}, journal = {Journal of the Science of Food and Agriculture}, volume = {89}, number = {12}, year = {2009}, month = {SEP}, pages = {2071-2081}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
BACKGROUND: Volatile blends of five developing and five ripening stages of mango (Mangifera indica L. cv. Alphonso) were investigated along with those of flowers and leaves. Raw and ripe fruits of cv. Sabia were also used for comparison. RESULTS: A total of 55 volatiles belonging to various chemical classes such as aldehydes, alcohols, mono- and sesquiterpene hydrocarbons, lactones and furanones were identified. In all Alphonso tissues monoterpenes quantitatively dominated, with 57-99\% contribution; in particular, (Z)-ocimene was found in the highest amount. Ripeness was characterized by the de novo appearance of lactones and furanones in the blend of monoterpenes. Sabja was distinguished by the abundance of monoterpene hydrocarbons in the raw fruit, and that of sesquiterpene hydrocarbons and their derivatives in the ripe stage. CONCLUSION: Various stages of the Alphonso fruit during transition from flower to ripe fruit are characterized by unique volatile signatures that are distinguished from each other by the qualitative and quantitative appearance of different volatile compounds. Thus volatiles can be highly informative markers while studying the development and ripening of mango. (C) 2009 Society of Chemical Industry
}, keywords = {Deogad, Gas chromatography, Mangifera indica, mango products, ripening indicator, Sabja}, issn = {0022-5142}, doi = {10.1002/jsfa.3692}, author = {Pandit, Sagar S. and Kulkarni, Ram S. and Chidley, Hemangi G. and Giri, Ashok P. and Pujari, Keshav H. and Koellner, Tobias G. and Degenhardt, Joerg and Gershenzon, Jonathan and Gupta, Vidya S.} } @article { ISI:000271982400003, title = {Characterization of clay intercalated cobalt-salen catalysts for the oxidation of p-cresol}, journal = {Applied Catalysis A-General}, volume = {370}, number = {1-2}, year = {2009}, month = {NOV}, pages = {16-23}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The intercalation of cobalt-salen complexes into the interlamelar spaces of montmorillonite clay was investigated by various characterization studies. The {\textquoteleft}{\textquoteleft}neat{\textquoteright}{\textquoteright} cobalt-salen complex showed a weight loss at 368 degrees C while the weight loss for the corresponding intercalated complex was observed at much higher temperature of 492 degrees C due to decomposition of the complex. The thermal stabilization observed was due to the host-guest interaction of clay and metal complex and thus confirmed the intercalation. The XANES spectrum of Co(salen)-mont sample revealed the change of symmetry from the tetrahedral in plane to the octahedral structure having an axial bonding of oxygen to the cobalt, indicating that cobalt atoms in Co(salen)-mont were coordinated axially with the lattice oxygen of montmorillonite. Both XANES and EXAFS results indicated that cobalt atoms in Co(salen)-mont form two additional Co-O bonds with a bond length of 0.199 nm by the intercalation while retaining the Co-salen structure. Co-salen intercalated into the montmorillonite clay showed the highest activity for the air oxidation of p-cresol, giving 88\% selectivity to the oxidation products. Effects of NaOH concentration and various solvents on the conversion and selectivity patterns also have been studied. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Cobalt-oxygen bond, Cobalt-salen, Extended X-ray absorption fine structure, Intercalation, Lattice oxygen, Montmorillonite, X-ray absorption near edge structure}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.09.003}, author = {Kshirsagar, V. S. and Garade, Ajit C. and Mane, R. B. and Patil, K. R. and Yamaguchi, A. and Shirai, M. and Rode, C. V.} } @article { ISI:000263784200014, title = {Characterization of the smallest dimeric bile salt hydrolase from a thermophile brevibacillus sp.}, journal = {Extremophiles}, volume = {13}, number = {2}, year = {2009}, month = {MAR}, pages = {363-370}, publisher = {SPRINGER JAPAN KK}, address = {CHIYODA FIRST BLDG EAST, 3-8-1 NISHI-KANDA, CHIYODA-KU, TOKYO, 101-0065, JAPAN}, abstract = {
A thermophilic microorganism producing bile salt hydrolase was isolated from hot water springs, Pali, Maharashtra, India. This microorganism was identified as Brevibacillus sp. by 16S rDNA sequencing. Bile salt hydrolase (BSH) was purified to homogeneity from this thermophilic source using Q-sepharose chromatography and its enzymatic properties were characterized. The subunit molecular mass of the purified enzyme was estimated to be 28 kDa by SDS-PAGE and, 28.2 kDa by MALDI-TOF analysis. The native molecular mass was estimated to be 56 kDa by gel filtration chromatography, indicating the protein to be a homodimer. The pH and temperature optimum for the enzyme catalysis were 9.0 and 60A degrees C, respectively. Even though BSH from Brevibacillus sp. hydrolyzed all of the six major human bile salts, the enzyme preferred glycine conjugated substrates with apparent K (M) and k (cat) values of 3.08 mu M and 6.32 x 10(2) s(-1), respectively, for glycodeoxycholic acid. The NH2-terminal sequence of the purified enzyme was determined and it did not show any homology with other bacterial bile salt hydrolases. To our knowledge, this is the first report describing the purification of BSH to homogeneity from a thermophilic source.
}, keywords = {Bile salt hydrolase, Brevibacillus sp., Dimeric intracellular enzyme, Purification, Thermophile}, issn = {1431-0651}, doi = {10.1007/s00792-008-0224-0}, author = {Sridevi, N. and Srivastava, Sameer and Khan, Bashir Mohammad and Prabhune, Asmita Ashutosh} } @article { ISI:000263018200028, title = {Chemical bath deposition of CdS quantum dots on vertically aligned ZnO nanorods for quantum dots-sensitized solar cells}, journal = {Electrochemistry Communications}, volume = {11}, number = {1}, year = {2009}, month = {JAN}, pages = {103-106}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Formation of US quantum dots (Q dots) on the vertically aligned ZnO nanorods electrode was carried out by chemical bath deposition. The diameter and thickness of ZnO nanorods are similar to 100-150 nm and similar to 1.6 mu m, respectively, and CdS Q dots on ZnO nanorods have a diameter of smaller than 15 nm. In application of the Q dots-sensitized solar cells, composite film exhibited a power conversion efficiency of 0.54\% under air mass 1.5 condition (80 mW/cm(2)), and incident-photon-to-current conversion efficiency showed 18.6\%. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Chemical bath deposition, Photosensitization, quantum dots, solar cells, Wet-chemical process}, issn = {1388-2481}, doi = {10.1016/j.elecom.2008.10.042}, author = {Lee, Wonjoo and Min, Sun Ki and Dhas, Vivek V. and Ogale, Satishchandra B. and Han, Sung-Hwan} } @article { ISI:000266648400001, title = {Chlorophyll-based photocatalysts and their evaluations for methyl orange photoreduction}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {204}, number = {2-3}, year = {2009}, month = {MAY}, pages = {83-89}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Immobilization of chlorophyll on different functionalized mesoporous materials has been attempted. The replacement of butanediol with monoethanol amine has resulted in increase in chlorophyll loading by a factor of two. The maximum immobilization of chlorophyll was on MCM-41 functionalized with monoethanolamine MCM-41/MEA/Chl) as compared to other mesoporous materials. This material has been characterized using XRD, UV-vis diffuse reflectance spectroscopy, scanning electron microscopy (SEM-EDX) and fluorescence spectroscopy. The photocatalytic reduction of methyl orange (MO)was studied using MCM-41/MEA/Chl as photocatalyst under the visible light. The photocatalytic reduction of MO was 0.396 mg/g of MCM-41/MEA/Chl photocatalyst as compared to 0.508 mg/g of TiO(2) for that of Degussa P-25 photocatalyst. The effect of various operating parameters like catalyst loading, initial concentration and intensity of light has also been studied. Photocatalytic property of chlorophyll-based photocatalytic material indicates that chlorophyll acts as a reaction center, which absorbs visible light and generates electron, which is transferred to different electron acceptors reducing MO into derivative of hydrazine. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Chlorophyll-based photocatalyst, Mesoporous material, Methyl orange, Photoreduction}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2009.01.016}, author = {Joshi, Meenal M. and Kamble, Sanjay R. and Labhsetwar, Nitin K. and Parwate, D. V. and Rayalu, Sadhana S.} } @article { ISI:000262966200010, title = {Chromate reduction by PVA-alginate immobilized streptomyces griseus in a bioreactor}, journal = {Biotechnology Letters}, volume = {31}, number = {1}, year = {2009}, month = {JAN}, pages = {71-76}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Microbial reduction of toxic Cr(6+) to the less toxic Cr(3+) is potentially a useful bioremediation process. Among the matrices tested for whole cell immobilization of an efficient chromate-reducing Streptomyces griseus strain, PVA-alginate was the most effective and was used for reduction of Cr(VI) in a bioreactor. Cr(6+) reduction efficiency decreased as Cr(6+) was increased from 2 to 12 mg l(-1) but increased with an increase in biomass concentration. However, increasing the flow rate from 2 to 8 ml h(-1) did not significantly affect Cr(6+) reduction. The reduction was faster in simulated effluent than in synthetic medium and complete removal of 8 mg Cr(6+) l(-1) from effluent and synthetic medium occurred in 2 and 12 h, respectively. Our results indicate that immobilized S. griseus cells could be applied for the large-scale bioremediation of chromate-containing effluents and wastewaters.
}, keywords = {Bioremediation, Chromate reduction, Immobilized cells, Polyvinyl alcohol-alginate, Streptomyces griseus}, issn = {0141-5492}, doi = {10.1007/s10529-008-9829-8}, author = {Poopal, Ashwini C. and Laxman, Ryali Seeta} } @article { ISI:000262769700020, title = {Class II alpha-mannosidase from aspergillus fischeri: energetics of catalysis and inhibition}, journal = {International Journal of Biological Macromolecules}, volume = {44}, number = {1}, year = {2009}, month = {JAN}, pages = {112-115}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Energetics of the catalysis of Class II alpha-mannosidase (E.C.3.2.1.24) from Aspergillus fischeri was studied. The enzyme showed K(cat)/K(m) for Man (alpha 1-3) Man, Man (alpha 1-2) Man and Man (alpha 1-6) Man as 7488, 5376 and 3690 M(-1) min(-1), respectively. The activation energy, Ea was 15.14, 47.43 and 71.21 kJ/mol for a1-3, alpha 1-2 and alpha 1-6 linked mannobioses, respectively, reflecting the energy barrier in the hydrolysis of latter two substrates. The enzyme showed K(cat)/K(m) as 3.56 x 10(5) and 4.61 x 10(5) M(-1) min(-1) and E(a) as 38.7 and 8.92 kJ/mol, towards pNP alpha Man and 4-MeUmb alpha Man, respectively. Binding of Swainsonine to the enzyme is stronger than that of 1-deoxymannojirimycin. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {alpha-Mannosidase, Energy of activation, kinetics, Swainsonine}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2008.10.012}, author = {Shashidhara, K. S. and Gaikwad, Sushama M.} } @article { ISI:000268863800079, title = {Click chemistry based rapid one-pot synthesis and evaluation for protease inhibition of new tetracyclic triazole fused benzodiazepine derivatives}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {19}, number = {17}, year = {2009}, month = {SEP}, pages = {5241-5245}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We describe herein a one-pot synthesis of novel tetracyclic scaffolds that incorporate a fusion of a proline, 1,2,3-triazole ring with [1,4]-benzodiazepin-8(4H)-one ring systems following click chemistry. The expected peptide bond formation followed by in situ 1,3-dipolar cycloaddition in absence of any catalyst led to the formation of new triazole fused benzodiazepine derivatives. (C) 2009 Published by Elsevier Ltd.
}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2009.06.107}, author = {Mohapatra, Debendra K. and Maity, Pradip K. and Shabab, M. and Khan, Mohammad Islam} } @article { ISI:000261768700023, title = {Click synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br center dot center dot center dot NO2 synthon}, journal = {Crystengcomm}, volume = {11}, number = {1}, year = {2009}, month = {OCT}, pages = {143-150}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report herein the extention of the azide-alkyne {\textquoteleft}{\textquoteleft}click reaction{\textquoteright}{\textquoteright} to crystal engineering and synthesize a collection of isomeric compounds with modular positioning of Br and NO2 on a tricyclic template and crystal structural analyses of the derived isomers. It is quite remarkable to notice that none of the isomers displayed the bifurcated three-center NO2 center dot center dot center dot Br supramolecular synthon in their crystal structures
}, issn = {1466-8033}, doi = {10.1039/b809985e}, author = {Ramana, C. V. and Chatterjee, Soumitra and Durugkar, Kulbhushan A. and Gonnade, Rajesh G.} } @article {BHONDE, title = {Clickable SBA-15 mesoporous materials: synthesis, characterization and their reaction with alkynes}, journal = {Journal of Materials Chemistry}, volume = {19}, number = {10}, year = {2009}, month = {JAN}, pages = {1409-1416}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
SBA-15 mesoporous silica has been functionalized with azidopropyl groups through both one-pot co-condensation and post-synthetic grafting. For both these methodologies, azidopropyltriethoxysilane was used to introduce the azidopropyl groups. The azidopropyl modified SBA-15 material synthesized by one-pot co-condensation had hexagonal crystallographic order, pore diameters up of 50 angstrom, and the content of azidopropyl groups was found to be 1.3 mmol g(-1). The presence of the azidopropyl group was confirmed by multinuclear ((13)C, (29)Si) solid state NMR and IR spectroscopy. Both these materials underwent very efficient Cu(I)-catalyzed azide alkyne {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} reaction (CuAAC) with a variety of alkynes. Nearly 85\% of the azide present in the SBA-15 material was converted to the corresponding triazole when propargyl alcohol was used as the substrate. This methodology was also used to incorporate mannose into SBA-15. Incubation of this mannose labeled SBA-15 with fluorescein labeled Concanavalin-A led to the formation of a fluorescent silica-protein hybrid material. The ease of synthesis for the azide labeled SBA-15 material together with its ability to undergo very efficient chemoselective CuAAC in water would make it a very attractive platform for the development of covalently anchored catalysts, enzymes and sensors.
}, issn = {0959-9428}, doi = {10.1039/b815350g}, author = {Malvi, Bharmana and Sarkar, Bibhas R. and Pati, Debasis and Mathew, Renny and Ajithkumar, Thalasseril G. and Sen Gupta, Sayam} } @article { ISI:000271309400016, title = {CNS Depressant activity of ethanol extract of sterculia guttata seeds in mice}, journal = {Indian Journal of Pharmaceutical Sciences}, volume = {71}, number = {4}, year = {2009}, month = {JUL}, pages = {445-U167}, publisher = {MEDKNOW PUBLICATIONS}, address = {A-108-109 KANARA BUSINESS CENTRE, GHAKTOPAR, MUMBAI, 400075, INDIA}, abstract = {
Shade dried, powdered seeds of Sterculia guttata were extracted using a Soxhlet extractor with ethanol. Ethanol was removed under reduced pressure and dried to obtained crude extract. This extract was evaluated for its effect on behavioral changes, exploratory activity and barbiturate-sleeping time, using appropriate standard methods in mice. The extract exhibited dose-dependent CNS depressant activity.
}, keywords = {Barbitone sodium, CNS depressant activity, pentobarbitone sodium, Sterculia guttata Roxb., Swiss albino mice}, issn = {0250-474X}, author = {Katade, S. R. and Misar, Ashwini V. and Mujumdar, Arvind M. and Phalgune, U. D. and Wakharkar, R. D. and Deshpande, N. R.} } @article { ISI:000267632500006, title = {CO sensor based on polypyrrole functionalized with iron porphyrin}, journal = {Synthetic Metals}, volume = {159}, number = {11}, year = {2009}, month = {JUN}, pages = {1019-1023}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Polypyrrole (PPy) was chemically functionalized with 5,10,15,20-tetraphenyl-21H,23H-porphyrin iron(III) chloride (FeTPPCl) with special interest on noxious carbon monoxide (CO) gas in ppm level. Controlled functionalization of PPy was achieved with incorporation of various concentrations of porphyrin. The resulted semiconducting material was well characterized by different techniques such as UV-vis spectroscopy, FTIR, GFAAS, XRD, and EDAX. The functionalized polypyrrole material on interdigitated electrode was experienced an immediate increase in resistance when exposed to carbon monoxide gas at very low concentration. The CO gas interacted very fast with the FeTPPCl functionalized PPy at room temperature (RT) and then slowly saturated. The response of these materials was not unidirectional, but reverses to the original resistance level when CO was removed from the test chamber. The highest response factor (Delta R/R(0) x 100) and lowest response time (t(50)) obtained are 12 and 169s, respectively. An optimum level of doping (1 mol\% of FeTPPCl) was established for the highest sensitivity and the detection level is as low as 100ppm. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {carbon monoxide, Chemical sensor, Fe(III) porphyrin, polypyrrole}, issn = {0379-6779}, doi = {10.1016/j.synthmet.2009.01.018}, author = {Paul, Santhosh and Amalraj, Francis and Radhakrishnan, S.} } @article { ISI:000264061100021, title = {Cobalt(II) chloride hexahydrate-diisopropylamine catalyzed mild and chemoselective reduction of carboxylic esters with sodium borohydride}, journal = {Synthesis-Stuttgart}, number = {4}, year = {2009}, month = {FEB}, pages = {660-664}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
The cobalt-catalyzed reduction of unsaturated alpha-cyano carboxylic esters using sodium borohydride (NaBH(4)) leads to the corresponding saturated cyano alcohols in high yields. In particular, the new catalytic system cobalt(II) chloride-diisopropylamine in combination with NaBH(4) showed excellent activity in the chemoselective reduction of a variety of carboxylic esters to their corresponding alcohols in good to excellent yields under mild conditions.
}, keywords = {Alcohols, amines, catalysis, Esters, reductions}, issn = {0039-7881}, doi = {10.1055/s-0028-1083353}, author = {Jagdale, Arun R. and Paraskar, Abhimanyu S. and Sudalai, Arumugam} } @article { ISI:000264127100020, title = {Column liquid chromatography-ultraviolet and column liquid chromatography/mass spectrometry evaluation of stress degradation behavior of escitalopram oxalate}, journal = {Journal of AOAC international}, volume = {92}, number = {1}, year = {2009}, month = {JAN}, pages = {138-147}, abstract = {
{The objective of this work was to study the degradation behavior of escitalopram oxalate under different International Conference on Harmonization (ICH)-recommended stress conditions by column liquid chromatography (LC)-UV and LC/mass spectrometry (LC/MS) and to establish a validated stability-indicating LC assay method. Escitalopram oxalate was subjected to stress conditions of hydrolysis, oxidation, photolysis, and thermal decomposition. Extensive degradation was found to occur in alkaline medium. Mild degradation was observed in acidic and oxidative conditions. Escitalopram oxalate was stable to neutral, photolytic, and thermal stress. Successful separation of the drug from degradation products formed under stress conditions was achieved on a PerfectSil-100 ODS-3 column [C(18) (5 mu m, 25 cm x 4.6 mm id)] using methanol-0.01 M acetate buffer pH 3.8 adjusted with acetic acid (45 + 55) as the mobile phase. The flow rate was 1 mL/min, and the detection wavelength was 239 nm. The method was validated according to ICH guidelines. Major degradation products formed in hydrolysis and oxidative conditions were isolated, and structural elucidation of degradation products was done by LC/MS and infrared spectrometry studies. The major hydrolysis degradation product was confirmed as 1-(3-dimethylaminopropyl)-1-(4-fluoro-phenyl)-1,3dihydroisobenzofuran-5- carboxylic acid, and the major oxidative degradation product was confirmed as 1-{[3-dimethylamino(oxide)-propyl]-1(4-flurophenyl)}-1,3-dihydro-iso benzofuran-5-carbonitrile.
}, author = {Dhaneshwar, Sunil R. and Mahadik, Mahadeo V. and Kulkarni, Mahesh J.} } @article { ISI:000268231500057, title = {Combinatorial library of primaryalkylammonium dicarboxylate gelators: a supramolecular synthon approach}, journal = {Langmuir}, volume = {25}, number = {15}, year = {2009}, month = {AUG}, pages = {8742-8750}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Following the supramolecular synthon approach, a combinatorial library comprising 35 organic salts derived from 7 dicarboxylic acids (malonic, succinic-, adipic, L-tartaric-, maleic-, phthalic-, and isophthalicacid) and 5 primaryalkyl amines Me-(CH2)(n)-NH2 (n = 11 - 15) was prepared and scanned for gelation. About 66\% of the salts in the combinatorial library were found to show moderate to good gelling ability in various polar and nonpolar solvents including commercial fuels such as petrol. The majority of the salts having a rigid, unsaturated anionic backbone (maleate, phthalate, and isophthalate) did not show gelation; only the corresponding hexadecylammonium salts showed gelation. Some of the representative gels were characterized by rheology, small-angle neutron scattering (SANS), optical microscopy (OM), and scanning electron microscopy (SEM). Single-crystal structures of two gelator and two nongelator salts were also discussed in the context of supramolecular synthon and structure-property correlation.
}, issn = {0743-7463}, doi = {10.1021/la9001362}, author = {Sahoo, Pathik and Adarsh, N. N. and Chacko, George E. and Raghavan, Srinivasa R. and Puranik, Vedavati G. and Dastidar, Parthasarathi} } @article { ISI:000262605200024, title = {Combustion synthesis of triangular and multifunctional ZnO1-xNx (x <= 0.15) materials}, journal = {Chemistry of Materials}, volume = {21}, number = {2}, year = {2009}, month = {JAN}, pages = {351-359}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The preparation and characterization of multifunctional ZnO1-xNx (x \<= 0.15) via a simple solution combustion method is reported. ZnO1-xNx exhibits visible light absorption, thermal stability, nanometer-/ micrometer-sized triangular particles, and catalytic properties. X-ray diffraction studies of ZnO1-xNx, demonstrate that the lattice oxygen in ZnO is replaced by nitrogen without any major change in the wurtzite structure; however, charge compensation occurs, because of interstitial Zn atoms, as well as oxygen vacancies. Microscopic studies reveal the dominance of nanometer- and micrometer-sized triangles of ZnO1-xNx. UV-visible and Raman spectra indicate a midgap state, derived from N 2p states, and direct Zn-N interaction, respectively. Secondary ion mass spectrometry studies show the presence of N and ZnN species in the bulk and support the direct Zn-N interaction. Electron paramagnetic resonance (EPR) studies indicate the presence of a small amount of defects. Photocatalytic decomposition of rhodamine B, and anisole acylation at room temperature, highlights the effectiveness of ZnO1-xNx to catalysis applications. The aforementioned multifunctional characteristics suggest that ZnO1-xNx might be used in place of conventional ZnO for better control and that it might be explored for further applications in catalysis and optoelectronics.
}, issn = {0897-4756}, doi = {10.1021/cm803048h}, author = {Mapa, Maitri and Gopinath, Chinnakonda S.} } @article { ISI:000264484400007, title = {Comparative studies of two araceous lectins by steady state and time-resolved fluorescence and CD spectroscopy}, journal = {Journal of Fluorescence}, volume = {19}, number = {2}, year = {2009}, month = {MAR}, pages = {239-248}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Transitions in the tryptophan microenvironment and secondary structure of two monocot lectins from Sauromatum guttatum and Arisaema tortuosum under different denaturing conditions were studied by steady state and time resolved fluorescence and CD spectroscopy. The lectins exist as tetramers with a single tryptophan residue estimated per monomer, present in a polar environment. Quenching with ionic quenchers showed predominantly electropositive environment for tryptophan residues. Acrylamide had maximum quenching effect. A decrease in KI quenching due to lectin denaturation indicated redistribution of charges as a result of possible conformational change. The two values for lifetimes of tryptophanyl population (1.2-1.4 and 6.3-6.4 ns) reduced substantially on quenching or denaturation. Similarly, both the lectins showed a drastic loss of secondary structure in 5 M Gdn-HCl or 6 M Urea or at pH 2.0 and below. For the first time araceous lectins, like legume lectins are shown to bind adenine. The presence of a compact structure at alkaline pH 10.0-12.0 was observed in CD spectra.
}, keywords = {Araceae lectins, Denaturation, fluorescence, Lifetime spectroscopy, Secondary structure}, issn = {1053-0509}, doi = {10.1007/s10895-008-0409-z}, author = {Dharker, Poorva N. and Gaikwad, Sushama M. and Suresh, C. G. and Dhuna, Vikram and Khan, Mohammad Islam and Singh, Jatinder and Kamboj, Sukhdev Singh} } @article { ISI:000262657300010, title = {Comparative study on liquid phase alkylation of 2-methylnaphthalene with long chain olefins using different solid acid catalysts}, journal = {Applied Catalysis A-General}, volume = {352}, number = {1-2}, year = {2009}, month = {JAN}, pages = {74-80}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A comparative study has been made over a variety of solid acid catalysts, which include isopoly and heteropoly ions supported on various supports such as zirconia, titania, a large variety of zeolites and a couple of mesoporous materials for liquid phasealkylation of 2-methylnaphthalene with 1-octene.All the catalyst systems were characterized by nitrogen sorption analysis, X-ray diffraction and NH(3)-TPD. Inspite of their high acid amounts zeolites gave poor catalytic performance due to their diffusional constraints; on the other hand mesoporous materials lacked diffusional constraints but due to their low acid amounts resulted in poor conversions. lsopoly and heteropoly ions supported on zirconia and titania were found to be catalytically active for the reaction due to total surface acidity. Among them, isopolytungstate supported on zirconia exhibited the best catalytic activity and was used for further optimization of reaction conditions. Excellent conversions of all olefins (\>92\%) with high selectivity of monoalkylmethylnaphthalene (\>95\%) was obtained under optimized reaction conditions. The catalyst could be recycled for several times without any obvious loss of its activity. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {2-Methylnaphthalene, Alkylation, Long chain olefins, Zirconia}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.09.032}, author = {Lucas, Nishita and Bordoloi, Ankur and Amrute, Amol P. and Kasinathan, Palraj and Vinu, Ajayan and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000265030200054, title = {Comparing ultraviolet and chemical reduction techniques for enhancing photocatalytic activity of silver oxide/silver deposited nanocrystalline anatase titania}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {15}, year = {2009}, month = {APR}, pages = {6243-6255}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Silver oxide/silver have been deposited, with varying silver concentration (0.01-10 mol \%), on the surface of sol-gel derived nanocrystal line anatase titania using two different techniques, namely the ultraviolet reduction and chemical reduction (using stannous ions). The pure and silver oxide/silver-deposited nanocrystalline anatase titania have been characterized for their morphology, average nanocrystal lite size, specific surface area, phases involved, surface chemistry, band gap, and photoluminescence using various analytical techniques, such as scanning electron microscopy, transmission electron microscopy, Brunauer, Emmett, and Teller surface-area measurement, X-ray diffraction, X-ray photoelectron spectroscopy, ultraviolet-visible spectrophotometry, and spectrofluorometry, respectively. The photocatalytic activity of pure and silver oxide/silver-deposited nanocrystalline anatase titania has been measured by monitoring the degradation of methylene blue dye in an aqueous solution under ultraviolet-radiation exposure. Within the investigated Ag-concentration range, the maximum photocatalytic activity has been observed for 0.1 and 10 mol \% Ag for the chemical-reduction (using stannous ions) and ultraviolet-reduction methods with the corresponding apparent first-order reaction-rate constant (k(app)) values of 0.228 and 0.151 min(-1), which are 3.5 and 2.3 times larger than that of pure nanocrystalline anatase fitania (0.065 min(-1)). The chemical-reduction method (using stannous ions), hence, appears to be more effective than the ultraviolet-reduction method for enhancing the photocatalytic activity of nanocrystalline anatase titania. Various factors such as the surface concentration of superoxide ions, oxygen-ion vacancies, and stannous ions as well as the amount of silver oxide/silver and tin oxide are observed to control the surface-adsorption of methylene blue and photoinduced electron/hole lifetime and, hence, variation in the photocatalytic activity as a function of silver concentration.
}, issn = {1932-7447}, doi = {10.1021/jp8105343}, author = {Priya, R. and Baiju, K. V. and Shukla, S. and Biju, S. and Reddy, M. L. P. and Patil, K. and Warrier, K. G. K.} } @article {42552, title = {Comparison of feature selection and classification combinations for cancer classification using microarray data}, journal = { International Journal of Bioinformatics Research and Applications}, volume = {5}, year = {2009}, month = {JAN}, pages = {417-431 }, doi = {10.1504/IJBRA.2009.027515}, author = {Vijayan, V. and Bulsara, B. and Gadgil, Chetan J. and Gadgil, Mugdha} } @article { ISI:000272077400009, title = {Complex permeability studies of Ni-Co-Zn ferrites synthesized by an oxalate precursor method}, journal = {Smart Materials \& Structures}, volume = {18}, number = {12}, year = {2009}, month = {DEC}, pages = {125009}, publisher = {IOP PUBLISHING LTD}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Nanocrystalline Co-substituted Ni-Zn ferrites have been synthesized by employing a co-precipitation technique using oxalate precursors. The co-precipitated oxalates were decomposed in air at 650 degrees C for 1 h and the powder was sintered at 1000 degrees C. The phase formation of the sintered ferrite was confirmed by x-ray diffraction studies. The lattice parameter a (angstrom) increases with the addition of Co(2+) which is attributed to the large ionic size of Co(2+) (0.78 angstrom), which replaces Ni(2+) (0.74 angstrom). The crystallite size has been estimated by the Debye-Scherrer formula using the full width at half-maximum (FWHM) of the line broadening of the (311) reflection and it is found to be in the range of 25-28 nm. Also, with increasing cobalt content the magnetocrystalline anisotropy constant (K(1)) and magnetostriction constant (lambda(s)) increase, and the grain size decreases, hence the value of initial permeability mu(i) decreases. The saturation magnetization M(s) and magnetic moment (n(B)) do not show any significant variation for all compositions varying with the cobalt content.
}, issn = {0964-1726}, doi = {10.1088/0964-1726/18/12/125009}, author = {Ghodake, J. S. and Kambale, R. C. and Kulkarni, S. D. and Sawant, S. R. and Suryavanshi, S. S.} } @article { ISI:000262440400015, title = {Composites of plasma treated poly(etherimide) films with gold nanoparticles and lysine through layer by layer assembly: a {\textquoteleft}{\textquoteleft}friendly-rough{\textquoteright}{\textquoteright} surface for cell adhesion and proliferation for tissue engineering applications}, journal = {Journal of Materials Chemistry}, volume = {19}, number = {4}, year = {2009}, month = {DEC}, pages = {544-550}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A composite film fabricated by plasma treated poly(etherimide) with subsequent deposition of gold nanoparticles and lysine using layer by layer assembly has been demonstrated to be good for cell attachment and proliferation making it an attractive strategy for tissue engineering applications. As compared to the other methods the decrease in contact angle obtained here does not depend much on the plasma treatment thus affecting the polymer structure minimally. A combination of surface roughness provided by the gold nanoparticles and the presence of amine groups of lysine is hypothesized to be the reason for the features observed.
}, issn = {0959-9428}, doi = {10.1039/b817231e}, author = {D{\textquoteright}Britto, Virginia and Tiwari, S. and Purohit, V. and Wadgaonkar, P. P. and Bhoraskar, S. V. and Bhonde, Ramesh R. and Bhagavatula L. V. Prasad} } @article { ISI:000266989800010, title = {Computational study of electronic structure, thermodynamics and kinetics of hydrogen desorption from Al- and Si-doped alpha-, gamma-, and beta-MgH2}, journal = {Journal of Materials Chemistry}, volume = {19}, number = {25}, year = {2009}, month = {APR}, pages = {4348-4355}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
First principles calculations of pure and Al-and Si-doped alpha-, gamma-, and beta-MgH2 were performed to investigate the influence of Al and Si as impurities and the presence of high pressure phases on the properties of hydrogen sorption of magnesium hydride. The ab initio plane wave pseudopotential method based on density functional theory within the generalized gradient approximation was used in the present study. The total energies of the considered systems were calculated as a function of cell volume to obtain material properties such as bulk modulus K-0, equilibrium cell volume V-0 and minimum energy E-0(V-0). From the density of states (DOS) analysis, it was shown that doping MgH2 with Al and Si caused a reduction in the band gaps of each of the three phases. The diminished band gaps made the Mg-H bond more susceptible to dissociation. The destabilization of the hydrides was reflected in the decreased heats of formation of the doped hydrides, with the following Delta H-f order: Si \< Al and beta \< gamma \< alpha. A 30.5\% reduction in the activation energy barrier E-act for H-2 desorption was calculated for the Al-doped alpha-MgH2(001) surface and a 15.5\% decrease in E-act of the Si-doped gamma-MgH2(001) surface was deduced, while doping with Al and Si increased the activation energy barrier for the beta-MgH2 (001) surface drastically.
}, issn = {0959-9428}, doi = {10.1039/b901115c}, author = {Kelkar, Tuhina and Pal, Sourav} } @article { ISI:000265330500010, title = {Concise enantioselective synthesis of 1-[(S)-3-(dimethylamino)-3,4 dihydro-6,7-dimethoxyquinolin-1(2H)-yl]propan-1-one, (S)-903}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {3}, year = {2009}, month = {FEB}, pages = {335-339}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A concise enantioselective synthesis of (S)-903, an inotropic agent, is described in nine linear steps and 95\% ee based on asymmetric dihydroxylation of cinnamate ester and Co-catalyzed Multifunctional reduction of several functional groups leading to the construction of core tetrahydroquinolin-3-ol, as the key steps. (C) 2009 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.01.019}, author = {Jagdale, Arun R. and Reddy, R. Santhosh and Sudalai, Arurnugam} } @article { ISI:000271252000017, title = {Concise enantioselective synthesis of (+)-decarestrictine L via proline-catalyzed sequential alpha-aminooxylation and Horner-Wadsworth-Emmons olefination}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {18}, year = {2009}, month = {SEP}, pages = {2173-2177}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short enantioselective synthesis of (+)-decarestrictine L, a cholesterol biosynthesis inhibitor metabolite, is described using a D-proline catalyzed sequential alpha-aminooxylation and a Horner-Wadsworth-Emmons olefination. (C) 2009 Elsevier Lid All rights reserved
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.08.026}, author = {Rawat, Varun and Chouthaiwale, Pandurang V. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000264650100005, title = {Concise enantioselective synthesis of (+)-febrifugine}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {1}, year = {2009}, month = {JAN}, pages = {84-88}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short enantioselective synthesis of (+)-febrifugine, a potent antimalarial alkaloid, has been described based on the regioselective asymmetric dihydroxylation of a 1,4-dienic ester as the key step. The strategy also involves chemoselective [3,3]-sigmatropic rearrangement of 1,5-hexadiene-3-ol and intramolecular lactamization of azidolactone for the construction of piperidine core. (C) 2008 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2008.11.024}, author = {Emmanuvel, Lourdusamy and Kamble, Dayanand A. and Sudalai, Arumugam} } @article { ISI:000272133800017, title = {Concise enantioselective synthesis of (+)-lentiginosine}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {19}, year = {2009}, month = {OCT}, pages = {2287-2292}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A high yielding enantioselective synthesis of the indolizidine alkaloid, (+)-lentiginosine, has been described based on asymmetric oza-Cope rearrangement and the L-proline catalyzed alpha-aminooxylation of aldehydes. The strategy also makes use of ring-closing metathesis for the construction of piperidine core. (C) 2009 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.08.027}, author = {Shaikh, Tanveer Mahamadali and Sudalai, Arumugam} } @article { ISI:000271238900017, title = {Concurrent In-situ formation of Ag/Ag2S nanoparticles in polymer matrix by facile polymer-inorganic solid state reaction}, journal = {Journal of Nano Research}, volume = {5}, year = {2009}, month = {JAN}, pages = {143-152}, publisher = {TRANS TECH PUBLICATIONS LTD}, address = {LAUBISRUTISTR 24, STAFA-ZUERICH, CH-8712, SWITZERLAND}, abstract = {
We herein report the feasibility of polymer-inorganic solid-state reaction route for simultaneous in situ generation of Ag \& Ag2S nanostructures in polymer network wherein an engineering thermoplastic, polyphenylene sulphide (PPS), itself acts as a chalcogen source as well as a stabilizing matrix for the resultant nanoproducts. Typical solid-state reaction was accomplished by simply heating the physical admixture of the two reactants i.e. AgNO3 and PPS by varying molar ratios mainly 1:1, 1:5, 1:15, 1:20, at the crystalline melting temperature (285 degrees C) of PPS. The synthesized nanoparticles were characterized by various physico-chemical techniques like X-ray Diffractometry, Scanning Electron Microscopy equipped with EDAX, Transmission Electron Microscopy and UV-Visible spectroscopy. The prima facie observations suggest the effective formation and subsequent entrapment of mainly nanocrystalline metallic silver (fcc) in PPS matrix for all the molar ratios chosen for the reaction. Additionally, simultaneous occurrence of nanocrystalline Ag2S (monoclinic phase) is also noticed in case of heated admixture of AgNO3: PPS with equimolar ratio. The TEM analysis reveals nanoscale polydispersity (5nm to 70nm) and prevalence of mainly spherical morphological features in all the cases with occasional indications of triangular and hexagonal morphological features depending upon the reaction molar ratio.
}, keywords = {Ag, Ag2S, Nanoparticles, Polymer inorganic solid -state reaction, Thermoplastic polymer matrix}, issn = {1662-5250}, doi = {10.4028/www.scientific.net/JNanoR.5.143}, author = {Waghmare, Sujata and Shinde, Manish and Gholap, Ramkrishna S. and Rao, N. Koteswara and Hawaldar, Ranjit R. and Mulik, Uttam P. and Amalnerkar, Dinesh P.} } @article { ISI:000262810900014, title = {Conducting polyaniline-nano-TiO2 composites for smart corrosion resistant coatings}, journal = {Electrochimica Acta}, volume = {54}, number = {4}, year = {2009}, month = {JAN}, pages = {1249-1254}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Coatings prepared from polyaniline-nano-TiO2 particles synthesized by in situ polymerization were found to exhibit excellent corrosion resistance much superior to polyaniline (PANI) in aggressive environments. The corrosion Studies were carried out on steel plates coated with these formulations containing 10 wt\% polyaniline prepared with different concentrations of nano-TiO2. The electrochemical impedance spectroscopy was studied at periodic intervals during exposure to hot saline (65 degrees C) conditions for prolonged durations over a period of 90 h. The open circuit potential (OCP) was found to shift with time from -0.38 V SCE to more anodic side (-0.2 V SCE) much above that of bare steel (-0.5 VSCE). The presence of nano-TiO2 was found to be vital in the prevention of corrosion and the shift of OCP to anodic side. From these data, one could envisage more than 100 times improvement in the corrosion resistance especially for polyaniline prepared with 4.18 wt\% nano-TiO2. The exceptional improvement of performance of these coatings has been associated with the increase in barrier to diffusion, prevention of charge transport by the nanosize TiO2, redox properties of polyaniline as well as very large surface area available for the liberation of dopant due to nano-size additive. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Anticorrosion, Coating, conducting polymer, Nano-composite, Titanium dioxide}, issn = {0013-4686}, doi = {10.1016/j.electacta.2008.08.069}, author = {Radhakrishnan, S. and Siju, C. R. and Mahanta, Debajyoti and Patil, Satish and Madras, Giridhar} } @article { ISI:000271552400019, title = {Conformational characterization of human eukaryotic initiation factor 2 alpha: a single tryptophan protein}, journal = {Biochemical and Biophysical Research Communications}, volume = {390}, number = {2}, year = {2009}, month = {DEC}, pages = {273-279}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The alpha-subunit of the human eukaryotic initiation factor 2 (heIF2 alpha), a GTP binding protein, plays a major role in the initiation of protein synthesis. During various cytoplasmic stresses, eIF2 alpha gets phosphorylated by eIF2 alpha-specific kinases resulting in inhibition of protein synthesis. The cloned and over expressed heIF2 alpha, a protein with a single tryptophan (trp) residue was examined for its conformational characteristics using steady-state and time-resolved tryptophan fluorescence, circular dichroism (CD) and hydrophobic dye binding. The steady-state fluorescence spectrum, fluorescence lifetimes (tau(1) = 1.13 ns and tau(2) = 4.74 ns) and solute quenching studies revealed the presence of trp conformers in hydrophobic and differential polar environment at any given time. Estimation of the alpha-helix and beta-sheet content showed: (i) more compact structure at pH 2.0, (ii) distorted alpha-helix and rearranged beta-sheet in presence of 4 M guanidine hydrochloride and (iii) retention of more than 50\% ordered structure at 95 degrees C. Hydrophobic dye binding to the protein with loosened tertiary structure was observed at pH 2.0 indicating the existence of a molten globule-like structure. These observations indicate the inherent structural stability of the protein under various denaturing conditions. (C) 2009 Elsevier Inc. All rights reserved.
}, keywords = {Circular dichroism, heIF2 alpha, K562 cells, Molten globule, Steady-state and time-resolved fluorescence}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2009.09.106}, author = {Sreejith, R. K. and Yadav, Viveka Nand and Varshney, Nishant K. and Berwal, Sunil K. and Suresh, C. G. and Gaikwad, Sushama M. and Pal, Jayanta K.} } @article { ISI:000267115600005, title = {Consequence of hazards on some petroleum storage tanks and model for off-site emergency plan}, journal = {Disaster Advances}, volume = {2}, number = {2}, year = {2009}, month = {APR}, pages = {36-40}, publisher = {DISASTER ADVANCES}, address = {SECTOR AG-80, SCHEME NO 54, VIJAY NAGAR, A B RD, INDORE, 452010, INDIA}, abstract = {
Explosions, fire and the release of toxic gase cause deaths and injuries to workers and the public, resulting in the evacuation of communities and adversely affecting the environment as a whole. The primary objective of the off-site emergency plan for a hazardous installation is the prevention of accidents. The prevention of accidents involving hazardous substances is the concern of everyone. The poolfire from a petroleum storage tank leads to fatal consequences. This paper highlights some salient features of the emergency scenario from four petroleum storage tanks situated in Budge Budge area, 24 Pgs(S), West Bengal, which ultimately lead to poolfire with enormous heat wave all around and their consequence analysis, affected areas, rescue and evacuation plans, communication and public information systems, roles and responsibilities of the district emergency authority, police, fire and medical authorities.
}, keywords = {MAH industries, Off-site emergency plan, Petroleum storage tank, Poolfire, radial distance}, issn = {0974-262X}, author = {Biswajit, Ruj and Chattaraj, Pratim Kumar and Rehman, I and Ray, B. C.} } @article { ISI:000269892100029, title = {Continuous flow nitration of benzaldehyde}, journal = {Organic Process Research \& Development}, volume = {13}, number = {5}, year = {2009}, note = {235th American-Chemical-Society National Meeting, New Orleans, LA, APR 06-10, 2008}, month = {OCT}, pages = {999-1002}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The nitration of benzaldebyde can be carried out in a safe manner in continuous mode using a microreactor system. Choice of a micromixer was seen to affect the performance of this two-phase reaction significantly The reaction time could he brought down to 2 min by increasing the reaction temperature and thereby taking advantage of higher heat transfer area. The simple T-micromixer is seen to be inefficient for two-phase reactions. Further scope of process intensification is also discussed.
}, issn = {1083-6160}, doi = {10.1021/op000129vv}, author = {Kulkarni, Amol A. and Kalyani, Vishwanath S. and Joshi, Ramesh A. and Joshi, Rohini R.} } @article {Kulkarni, title = {Continuous hydroxyalkylation of p-Cresol to 2,2 {\textquoteleft}-methylenebis(4-Methylphenol) in a fixed bed reactor}, journal = {Journal of Chemical Engineering of Japan}, volume = {42}, number = {10}, year = {2009}, month = {OCT}, pages = {782-787}, abstract = {
{Catalytic activity of various solid acid catalysts is evaluated for the continuous hydroxyalkylation of p-cresol to [
}, author = {Garade, Ajit C. and Hengne, Amol M. and Deshpande, Tushar N. and Shaligram, Sayali V. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article { ISI:000265699700015, title = {Control of molecular aggregation in symmetrically substituted pi-conjugated bulky poly(p-phenylenevinylene)s and their copolymers}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {47}, number = {10}, year = {2009}, month = {MAY}, pages = {2631-2646}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
A new series of symmetrically substituted bulky PPV-copolymers based on poly(bis-2,5-(2-ethylhexyloxy)-1,4-phenylenevinylene) (BEH-PPV) bearing tricyclodecane (TCD) pendants were synthesized to study the effect of chain aggregation in the pi-conjugated polymer backbone. The composition of the copolymers was varied up to 100 mol \% and the structures of the copolymer were confirmed by NMR and FTIR. The molecular weights of the copolymers were obtained as M(w) = 11,500-1,78,800 depending on the TCD-incorporation in BEH-PPV. The origin of the pi-aggregation was investigated using mixture of solvents (polar or nonpolar) or temperature as external stimuli. Absorption, photoluminescence, and time-resolved fluorescence decay techniques were employed as tools to trace molecular aggregation in solution and solid state. The TCD-substituted bulky copolymers showed almost twice the enhancement in photoluminescence compared with that of BEH-PPV Solvent-induced aggregation studies of copolymers revealed the existence of strong molecular aggregation in BEH-PPV compared with that of bulky copolymers. Variable temperature studies further evidence for the reversibility of molecular aggregation on beating/cooling cycles and showed isosbetic points with respect to free and aggregated polymer chains. Time-resolved fluorescent studies confirmed the existence of free and aggregated pi-conjugated species with a life time of 0.1 to 1.0 ns. (C) 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 2631-2646, 2009
}, keywords = {conjugated polymers, fluorescence, poly(p-phenylenevinylene), solution properties, Structure-property relationship}, issn = {0887-624X}, doi = {10.1002/pola.23348}, author = {Resmi, R. and Amrutha, S. R. and Jayakannan, M.} } @article { ISI:000274985000008, title = {Convenient synthesis of enantiomerically pure (R)-mexiletine using hydrolytic kinetic resolution method}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {24}, year = {2009}, month = {DEC}, pages = {2814-2817}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Enantiopure (R)-mexiletine was prepared in a simple and practical way using hydrolytic kinetic resolution method of terminal epoxide by Jacobsen catalyst. High enantiomeric purity (98\% ee) was achieved and the method is well amenable to industrial scale-up. (C) 2009 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.11.014}, author = {Sasikumar, Murugesan and Nikalje, Milind D. and Muthukrishnan, Murugan} } @article {42749, title = {Copper (I) complexes of a thioether-functionalized short-bite aminobis(phosphonite)}, journal = {Polyhedron}, volume = {28}, year = {2009}, month = {NOV}, pages = {101{\textendash}106}, abstract = {
Copper(I) complexes of short-bite aminobis(phosphonite), PhN{P({\textendash}OC10H6(μ-S)C10H6O{\textendash})}2 (1) have been synthesized. Reactions of 1 with an excess of CuX (X = Cl, Br, and I) afforded the ligand-bridged binuclear complexes, [PhN(PR-κP)2{Cu(μ-X)(MeCN)}2] (2, X = Cl; 3, X = Br; 4, X = I; R = {\textendash}OC10H6(μ-S)C10H6O{\textendash}), whereas treatment with 0.5 equiv. of [Cu(MeCN)4]PF6 produces the mononuclear bischelated cationic complex, [{PhN(PR-κP)2}2Cu](PF6) (5). Single crystal X-ray structures of complexes 3 and 4 are reported. Complex 3 shows strong π{\textendash}π stacking interactions between the naphthyl moieties, whereas complex 4 shows ligand-supported Cu...Cu metallophilic interactions.
}, doi = {10.1016/j.poly.2008.10.014}, author = {Punji, Benudhar and Mague, Joel T. and Mobin, Shaikh M. and Balakrishna, Maravanji S.} } @article { ISI:000264437500012, title = {Copper-based catalysts for water gas shift reaction: influence of support on their catalytic activity}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {72-76}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Three copper containing catalysts supported on ceria and mixed oxides of ceria with zirconia and titania were prepared by co-precipitation method and their catalytic activity was tested for water gas shift (WGS) reaction. High surface area (\>100m(2)/g) mixed oxides were obtained following the present method of preparation. The catalysts were characterized by XRD, H(2)-temperature programmed reduction (TPR), UV-vis and XPS. Catalytic activity was evaluated for water gas shift reaction in the 200-400 degrees C temperature range, The gas hourly space velocity was varied from 5000 to 25,000h(-1) for better evaluation and comparison of their performance. The effect of CO(2) in the feed gas mixture on the WGS activity of these catalysts was also studied. Among the three catalysts studied, CuO-CeO(2)-ZrO(2) mixed oxide shows better activity, implying the influence of support. Characterization of the catalysts after WGS reaction was also carried out in order to investigate structure-property correlation. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {ceria, Ceria-titania, Ceria-zirconia, Co-precipitation, Copper, Water gas shift}, issn = {0920-5861}, doi = {10.1016/j.cattod.2008.06.026}, author = {Pradhan, S. and Reddy, A. Satyanarayana and Devi, R. N. and Chilukuri, Satyanarayana V.} } @article {42458, title = {Copper-catalyzed synthesis of 2-unsubstituted, n-substituted benzimidazoles}, journal = {Journal of Organic Chemistry}, volume = {74}, year = {2009}, month = {NOV}, pages = {9570{\textendash}9572}, abstract = {
An efficient copper-catalyzed intramolecular arylation of formamidines forming 2-unsubstituted benzimidazoles in excellent yields is reported. Sixteen examples bearing sterically demanding substituents on nitrogen like Mes, 2,6-diisopropylphenyl, or 2-tert-butylphenyl and tolerating various functional groups demonstrate the utility of this method.
}, doi = {10.1021/jo902160y}, author = {Hirano, Keiichi and Biju, Akkattu T. and Glorius, Frank} } @article { ISI:000261342600009, title = {Correlations of thermodynamic properties of aqueous amino acid-electrolyte mixtures}, journal = {Journal of Solution Chemistry}, volume = {38}, number = {1}, year = {2009}, month = {JAN}, pages = {95-114}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Suitable equations have been proposed to correlate thermodynamic properties, like mean ion activity coefficients, volumes and compressibilities, of amino acids in electrolyte solutions. An amino acid-electrolyte-water interaction parameter is extracted from the regression of the amino acid property values in aqueous electrolyte solution that is then transferred to an expression to correlate the properties of the electrolyte in mixtures. The single interaction parameter can successfully correlate the published data on mean ion activity coefficients, apparent molar volumes and compressibilities of amino acids as well as of electrolytes in their aqueous mixtures. The equations are tested against the large number of experimental data sets available in the literature.
}, keywords = {Amino acids, Electrolytes, Pitzer equation, Thermodynamic properties}, issn = {0095-9782}, doi = {10.1007/s10953-008-9355-2}, author = {Saritha, C. and Satpute, Dilip B. and Badarayani, Rohini and Kumar, Anil} } @article { ISI:000265962600005, title = {Cu(I)-promoted one-pot {\textquoteleft}SNAr-click reaction{\textquoteright} of fluoronitrobenzenes}, journal = {Tetrahedron}, volume = {65}, number = {20}, year = {2009}, month = {MAY}, pages = {3974-3979}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A one-pot two-step sequence involving a nucleophilic aromatic substitution (SNAF) of activated fluorobenzenes with azide nucleophile and in situ Huisgen cycloaddition of the resulting aryl azides with alkynes has been developed for a rapid access to 1,4-substituted triazoles. Control experiments revealed that both the steps are catalyzed by Cu(I) and also the course of reaction as SNAr followed by [3+2]-cycloaddition. (C) 2009 Elsevier Ltd. All rights reserved.
}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.03.035}, author = {Durugkar, Kulbhushan A. and Gonnade, Rajesh G. and Ramana, C. V.} } @article { ISI:000263216000054, title = {Cultivar relationships in mango based on fruit volatile profiles}, journal = {Food Chemistry}, volume = {114}, number = {1}, year = {2009}, month = {MAY}, pages = {363-372}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Aroma volatiles of mango (Mangifera indica L.) determine consumer acceptability and influence selection, whilst breeding. To assess their variety, composition and possible impact on cultivar relationships, volatile blends of 22 Indian and five non-Indian cultivars were investigated using solvent extraction and gas chromatography. Totally 84 volatiles belonging to various chemical classes were detected. Based on the Cumulative Occurrence of members of these classes, cultivars were grouped as monoterpene or sesquiterpene dominant. a-Pinene, beta-myrcene and beta-caryophyllene were found in all 27 cultivars. For ordination, common compounds with high (relative) concentration provided quantitative characters, whereas the rare and lesser ones provided qualitative (binary) characters; non-Indian cultivars separated from Indian ones but displayed close relations within their groups. In conclusion, mango flavour is dominated qualitatively as well as quantitatively by terpene hydrocarbons; ancient selection of mango cultivars is hinted to be driven by different aroma characters in different parts of the world. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Flavour, GC-MS, Mangifera indica, Multivariate analysis, Ordination}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2008.09.107}, author = {Pandit, Sagar S. and Chidley, Hemangi G. and Kulkarni, Ram S. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article { ISI:000271067400004, title = {Cu(OTf)(2)-catalyzed alpha-halogenation of ketones with 1,3-dichloro-5,5 {\textquoteleft}-dimethylhydantoin and N-bromosuccinimide}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {48}, number = {10}, year = {2009}, month = {OCT}, pages = {1424-1430}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
Copper(II) triflate catalyses efficiently the alpha-halogentation of aryl or alkyl ketones with 1,3-dichloro-5,5{\textquoteright}-dimethyl-hydantoin and N-bromosaccinimde to give the corresponding alpha,alpha-dichloroketones and alpha-bromoketones in high yield with excellent product selectivity.
}, keywords = {Bromination, Catalyst, chlorination, copper (II), Ketone, Lewis acid}, issn = {0376-4699}, author = {Jagdale, Arun R. and Chouthaiwale, Pandurang V. and Sudalai, Arumugam} } @article { ISI:000272015800038, title = {Defluoridation of drinking water using chemically modified bentonite clay}, journal = {Desalination}, volume = {249}, number = {2}, year = {2009}, month = {DEC}, pages = {687-693}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Adsorption potential of metal oxide (lanthanum, magnesium and manganese) incorporated bentonite clay was investigated for defluoridation of drinking water using batch equilibrium experiments to gain insight of adsorption behavior, kinetics and mechanisms of adsorption of fluoride ion. The effect of various physicochemical parameters such as pH, adsorbent dose, initial fluoride concentration and the presence of interfering co-ions on adsorption of fluoride has been investigated. The 10\%La-bentonite shows higher fluoride uptake capacity for defluoridation of drinking water as compared to Mg-bentonite, Mn-bentonite and bare bentonite clay. The uptake of fluoride in acidic pH was higher as compared to alkaline pH. The equilibrium adsorption data fitted reasonably well in both Langmuir and Freundlich isotherm models. It was also observed that in the presence of certain co-existing ions can have positive effect on removal of fluoride, while carbonate and bicarbonate anions show deleterious effect. The rate of adsorption was reasonably rapid and maximum fluoride uptake was attained within 30 min. The modified adsorbent material shows better fluoride removal properties for actual field water, which could be due to the positive effect of other co-ions present in the field water. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {10\%La-bentonite, Defluoridation, Kinetic modeling, Langmuir and Freundlich adsorption isotherms, Water treatment}, issn = {0011-9164}, doi = {10.1016/j.desal.2009.01.031}, author = {Kamble, Sanjay P. and Dixit, Priyadarshini and Rayalu, Sadhana S. and Labhsetwar, Nitin K.} } @article { ISI:000267267000126, title = {Defluoridation of water using as-synthesized Zn/Al/Cl anionic clay adsorbent: equilibrium and regeneration studies}, journal = {Journal of Hazardous Materials}, volume = {167}, number = {1-3}, year = {2009}, month = {AUG}, pages = {873-878}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Zn/Al/Cl anionic clay has been synthesized by co-precipitation method and applied for adsorption of fluoride in aqueous medium. Equilibrium adsorption data were fitted to Langmuir, Freundlich, Temkin, and Generalized isotherm equations. Thermodynamic parameters like Delta G and Delta H values show the feasibility and exothermic nature of the adsorption process. Influence of solution pH and presence of other anions on fluoride adsorption by the clay has also been studied. Presence of carbonate in water was found to have an adverse effect on fluoride adsorption by the clay. pH(pzc) of the clay has been found to be 8.97. A two-step 1st order kinetic model was used to explain the fluoride adsorption kinetics of the as-synthesized clay. It was possible to regenerate the adsorbent with an aqueous solution of 0.01 M NaOH and the effect of regeneration on fluoride adsorption was reported up to five regeneration cycles. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Adsorption, Anionic clay, Fluoride, Isotherm, kinetics, Regeneration}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2009.01.069}, author = {Mandal, Sujata and Mayadevi, S.} } @article { ISI:000263373600066, title = {Dendritic effect of ligand-coated nanoparticles: enhanced apoptotic activity of silica-berberine nanoconjugates}, journal = {Langmuir}, volume = {25}, number = {4}, year = {2009}, month = {FEB}, pages = {2339-2347}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We describe the synthesis and biological characterization of a novel prototype, namely, silica nanoconjugates bearing a covalently linked berberine, a plant alkaloid known to have antiproliferative activity. The effect of synthesized nanoconjugates on cell proliferation, the cell cycle profile, and apoptosis in the human cervical carcinoma cell line (HeLa), human hepatocellular liver carcinoma cell line (HepG2), and human embryonic kidney (HEK) 293T cell line has been studied and compared with the results obtained for free berberine. Our results show that all the nanoconjugates display higher antiproliferative activity than free berberine. The ability of these nanoconjugates to inhibit cellular proliferation is mediated by the cell cycle arrest at the G1 phase. Moreover, silica nanoconugates caused selective apoptotic arrest with a higher efficiency than free berberine followed by apoptotic cell death as shown by quantitative fluorescence-activated cell sorting analyses. Efficiency of the nanoconjugates increases upon an increase in the linker chain length, demonstrating the distinct role of the spacer chain that conjugates nanoparticles and ligands. The actual reason to show enhanced efficiency by the nanoconjugates has not been elucidated in the present study; however, we hypothesize that an increase in local concentration due to the confinement of a ligand on the nanosurface ({\textquoteright}{\textquoteright}dendritic{\textquoteright}{\textquoteright} effect) might have led to the observed effect.
}, issn = {0743-7463}, doi = {10.1021/la802761b}, author = {Halimani, Mahantappa and Chandran, S. Prathap and Kashyap, Sudhir and Jadhav, V. M. and Bhagavatula L. V. Prasad and Hotha, Srinivas and Maiti, Souvik} } @article { ISI:000265529700034, title = {Density functional investigation of relativistic effects on the structure and reactivity of tetrahedral gold clusters}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {17}, year = {2009}, month = {APR}, pages = {7101-7106}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The influence of relativistic effects on the structure, vibrational modes, and reactivity of recently discovered tertrahedral gold clusters (Au(19) and Au(20)) are investigated using density functional methods. The intramolecular reactivity of the clusters was analyzed using density functional-based reactivity descriptors. The work shows that whereas the structural properties and vibrational modes are considerably affected by the relativistic effects, the reactivity trends based on Fukui function calculation on various atoms within this cluster remain unaffected by the absence or presence of relativistic effects. The reactivity descriptors reveal that the vertex atoms are the most reactive ones in Au(20) toward a nucleophilic attack. On the other hand, atoms connecting the missing vertex edge with the pyramid base along with the vertex atom are the most reactive for a nucleophilic attack in Au(19). The atoms lying at the center of each face are favorable for an electrophilic attack in both cases. Interestingly, the atoms with a missing cap in Aulg are highly favorable for electrophilic attack, and Au(20) has more sites for a favorable nucleophilic attack.
}, issn = {1932-7447}, doi = {10.1021/jp9001884}, author = {De, Himadri Sekhar and Krishnamurty, Sailaja and Pal, Sourav} } @article { ISI:000266061500016, title = {Dependence of Si-29 NMR chemical shielding properties of precursor silicate species, Q(0) on its local structure at the pre-nucleation stages of zeolite synthesis - a DFT based computational correlation}, journal = {Microporous and Mesoporous Materials}, volume = {122}, number = {1-3}, year = {2009}, month = {JUN}, pages = {105-113}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The exploration for new zeolite structures with tailored framework architectures for enhanced catalytic applications requires the knowledge about their nucleation and crystallization at molecular level. Nuclear magnetic resonance (NMR) is one of the most widely tried techniques to understand this. However, by NMR, it is difficult to accurately assign the molecular level precursor silicate structures at the pre-nucleation stages of zeolite synthesis. Hence, understanding the chemical shielding of such precursor molecules using quantum mechanical (QM) computations is extremely useful. Alkali is a fundamental component in the alkali based hydrothermal zeolite synthesis and its nature plays a major role. In the present report, we attempt to understand the differences in the local structure of the primary building block such as Si(OH)(4) (Q(0) silicate species) due to the associated alkali and their influence on NMR chemical shielding properties. Present work reports the calculation of Si-29 NMIR isotropic chemical shifts of T species with different cations such as Na, K and Ca using density functional theory (DFT). Results of natural bonding orbital (NBO) analysis, Perturbation theory energy analysis and electron density iso-surfaces were employed to obtain a deeper insight about their influence on the chemical shielding and on zeolite synthesis. (C) 2009 Elsevier Inc. All rights reserved.
}, keywords = {Ab initio method, Density Functional Theory (DFT), Electron density, NBO analysis, Perturbation theory, Q(0) silicate species, Si-29 NMR chemical shift, synthesis, zeolite}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2009.02.022}, author = {Selvaraj, Kaliaperumal and Kurian, Reshmi} } @article { ISI:000269760900028, title = {Design and synthesis of bile acid-based amino sterols as antimicrobial agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {19}, number = {18}, year = {2009}, month = {SEP}, pages = {5411-5414}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
New bile acid-based amino sterols were synthesized in good yields from C-3 beta-oxiranes as key intermediates. These derivatives were evaluated for their in vitro antimicrobial properties against human pathogens. These compounds showed better antibacterial activity as compared to antifungal activity. Compounds 21 and 22 showed comparable antibacterial activity to gentamicin against Staphylococcus aureus with IC(50) values of 5.14 and 4.46 mu g/mL. This is the first report for the synthesis of C-3 beta-oxiranes on the steroids having A/B cis ring junction and these oxiranes have been used for the synthesis of amino sterols 17, 18, 21, and 22. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Amino sterols, Antibacterial agent, bile acid, Oxirane}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2009.07.117}, author = {Aher, Nilkanth G. and Pore, Vandana S. and Mishra, Nripendra N. and Shukla, Praveen K. and Gonnade, Rajesh G.} } @article { ISI:000266821100020, title = {Design of an "allsolid-state{\textquoteright}{\textquoteright} supercapacitor based on phosphoric acid doped polybenzimidazole (PBI) electrolyte}, journal = {Journal of Applied Electrochemistry}, volume = {39}, number = {7}, year = {2009}, month = {JUL}, pages = {1097-1103}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The effectiveness of phosphoric acid doped polybenzimidazole as a polymer electrolyte membrane to fabricate an all solid-state super capacitor has been explored using hydrous RuO(2)/carbon composite electrodes (20 wt.\%) of surface area 250 m(2) g(-1) with many intrinsic advantages. The electrochemical evaluation of these super capacitors through cyclic voltammetry, charge/discharge and impedance measurements demonstrate the utility of this type of thin, compact and flexible supercapacitor capable of functioning at 150 degrees C to yield a maximum capacitance of about 290 F g(-1) along with a life of more than 1,000 cycles. A power density of 300 W kg(-1) and energy density of 10 Wh kg(-1) have been accomplished although the equivalent series resistance (ESR) of about 3.7 Omega needs to be reduced further for high rated applications.
}, keywords = {Electrochemical characterization, Electrochemical supercapacitor, Energy storage device, PBI electrolyte, RuO(2)/carbon composite}, issn = {0021-891X}, doi = {10.1007/s10800-008-9764-3}, author = {Rathod, Dhanraj and Vijay, Meenu and Islam, Md. Nazrul and Kannan, Ramaiyan and Kharul, Ulhas K. and Kurungot, Sreekumar and Pillai, Vijayamohanan} } @article { ISI:000271103500032, title = {Development of correlations for overall gas hold-up, volumetric mass transfer coefficient, and effective interfacial area in bubble column reactors using hybrid genetic algorithm-support vector regression technique: viscous newtonian and non-newtonian liq}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9631-9654}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The objective of this study was to develop hybrid genetic algorithm-support vector regression (GA-SVR)-based correlations for overall gas hold-up (epsilon(G)), volumetric mass-transfer coefficient (kt,a), and effective interfacial area (a) in bubble Column reactors for gas-liquid systems employing Viscous Newtonian and non-Newtonian systems as the liquid phase. The hybrid GA-SVR is a novel technique based on the feature 0 generation approach using genetic algorithm (GA). In the present study, GA has been used for nonlinear rescaling of attributes. These, exponentially scaled, are eventually subjected to SVR training The technique is an extension of conventional SVR technique, showing relatively enhanced results For this purpose an extensive literature search was done. From the published literature, 1629 data points for viscous Newtonian and 845 data points for VISCOUS non-Newtonian systems for cc;, 500 data points for viscous Newtonian and 556 data points for viscous non-Newtonian systems for k(L)a, and 208 data points for viscous non-Newtonian systems for a, respectively, were collected These data sets were collected spanning the years 1965-2007 Correlations were developed after taking into account all the parameters affecting epsilon(G), k(1)a, and a such as column and sparger geometry, gas-liquid properties, operating temperature, pressure, and Superficial gas and liquid velocities. The correlations thus developed gave prediction accuracies of 0.994 and 0.999 and average absolute relative errors (AARE) of 3.75 and 1.65\% for viscous Newtonian and non-Newtonian systems for epsilon(G), prediction accuracies of 0.983 and 0.998 and AARE of 8 62 and 1.91\% for viscous Newtonian and non-Newtonian systems for k(1)a, and prediction accuracy of 0.999 and AARE of 1\% for viscous non-Newtonian systems for a, respectively. These correlations also showed much improved results when compared with all the existing correlations proposed in literature. To facilitate their usage, all the hybrid GA-SVR-based correlations have been uploaded on the web link http-//wwwesnips.com/web/UICT-NCL.
}, issn = {0888-5885}, doi = {10.1021/ie801834w}, author = {Gupta, Prashant P. and Merchant, Shamel S. and Bhat, Akshay U. and Gandhi, Ankit B. and Bhagwat, Sunil S. and Joshi, Jyeshtharaj B. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000281760100214, title = {Development of mycoinsecticide for the control of insect pests: comparative evaluation of metarhizium isolates to identify strains for commercialization}, journal = {New Biotechnology}, volume = {25}, number = {1}, year = {2009}, month = {SEP}, pages = {S88-S89}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {1871-6784}, doi = {10.1016/j.nbt.2009.06.360}, author = {Deshpande, Mukund V. and Kulkarni, Shuklangi A. and Ghormade, Vandana and Kapoor, Manisha and Chavan, Santosh B. and Kulkarni, Grish and Shouche, Yogesh} } @article { ISI:000265781200006, title = {Development of unified correlations for volumetric mass-transfer coefficient and effective interfacial area in bubble column reactors for various gas-liquid systems using support vector regression}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {9}, year = {2009}, month = {MAY}, pages = {4216-4236}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The objective of this study was to develop a unified correlation for the volumetric mass-transfer coefficient (k(L)a) and effective interfacial area (a) in bubble columns for various gas-liquid systems using support vector regression (SVR-) based modeling technique. From the data published in the open literature, 1600 data points from 27 open sources spanning the years 1965-2007 for k(L)a and 1330 data points from 28 open sources spanning the years 1968-2007 for a were collected. Generalized SVR-based models were developed for the relationship between k(L)a (and a) and each design and operating parameters such as column and sparger geometry, gas-liquid physical properties, operating temperature, pressure, superficial gas velocity, and so on. Further, these models for k(L)a and a are available online at http://www.esnips.com/web/UICT-NCL. The proposed generalized SVR-based correlations for k(L)a and a have prediction accuracies of 99.08\% and 98.6\% and average absolute relative errors (AAREs) of 7.12\% and 5.01\%, respectively. Also, the SVR-based correlation provided much improved predictions compared to those obtained using empirical correlations from the literature.
}, issn = {0888-5885}, doi = {10.1021/ie8003489}, author = {Gandhi, Ankit B. and Gupta, Prashant P. and Joshi, Jyeshtharaj B. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000271697800001, title = {Diagnostic study on the energetics aspects of hiatus in the advance of southwest monsoon}, journal = {Mausam}, volume = {60}, number = {4}, year = {2009}, month = {OCT}, pages = {427-436}, publisher = {INDIA METEOROLOGICAL DEPT}, address = {MAUSAM BHAWAN, LODI RD, NEW DELHI, 110 003, INDIA}, abstract = {
Advance of southwest monsoon, after its onset, often gets stalled for a week or more causing concern to the farmers and other community whose activities are weather dependent. The present study on the energetics aspect of hiatus in the advance of southwest monsoon over India aims at understanding the dynamical reasons for this. Nine cases of hiatus of duration more than 10 days during 1982-2006 have been selected. For each hiatus case, different energy terms, their generation and conversion among different terms have been computed during the hiatus period and also during the pre-hiatus pentad over a limited region between 65 degrees E to 90 degrees E, 5 degrees N to 30 degrees N. These computations are based on NCEP 2.5 degrees x 2.5 degrees re-analysed daily composite data during different hiatus period and during corresponding pre-hiatus pentad. From this study it is found that : (i) In most of the cases there is a reduction in the generation of zonal available potential energy [G(A(Z))] during hiatus period compared to pre-hiatus pentad. (ii) Drop in the conversion from zonal available potential energy to zonal kinetic energy [C(A(Z), K(Z))] during hiatus period has been observed in most of the cases. (iii) In most of the cases there is a reduction in zonal kinetic energy (K(Z)) and in eddy kinetic energy (K(E)) during hiatus period compared to pre-hiatus pentad.
}, keywords = {Energetics, Hiatus}, issn = {0252-9416}, author = {Dutta, Somenath and De, U. S. and Devi, Sunitha} } @article { ISI:000270450400265, title = {Diethyl [(5-chloro-2-hydroxyanilino)(4-chlorophenyl)methyl]phosphonate}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {65}, number = {10}, year = {2009}, month = {OCT}, pages = {O2506+}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
In the title compound, C17H20Cl2NO4P, the P atom is bonded in a distorted tetrahedral environment. The dihedral angle between the two benzene rings is 80.5 (1)degrees. In the crystal structure, intermolecular O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds link pairs of molecules into centrosymmetric dimers. These dimers, are in turn, linked by weak intermolecular C-H center dot center dot center dot O hydrogen bonds into one-dimensional chains along [010]. Additional stabilization is provided by very weak C-H center dot center dot center dot Cl interactions.
}, issn = {1600-5368}, doi = {10.1107/S1600536809037039}, author = {Krishnaiah, M. and Babu, V. H. H. Surendra and Prasad, G. Syam and Reddy, C. Suresh and Puranik, Vedavati G.} } @article { ISI:000272903900005, title = {Differential elicitation of an aspartic protease inhibitor: regulation of endogenous protease and initial events in germination in seeds of vigna radiata}, journal = {Peptides}, volume = {30}, number = {12}, year = {2009}, month = {DEC}, pages = {2118-2126}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Plant aspartic proteases are of recent origin with their physiological significance in crucial processes emerging. Reports on the significance of aspartic protease inhibitors and their endogenous proteases in seeds of plants are scanty. This paper reports the purification of an aspartic protease inhibitor from the seeds of Vigna radiata, its control of the endogenous aspartic protease and their subsequent role in the early germination events. The role of the aspartic protease inhibitor and the enzyme in initial stages of germination of V. radiata has been tracked by differential timed expression and germination assays. The expression pattern revealed maximum expression of the inhibitor in the dormant seeds while the enzyme was predominant in the germinating seeds. Their expression patterns and interactions indicate their significance in initiation of germination. The expression of other classes of proteases was monitored during germination and a model predicting the events occurring during proteolysis of the storage protein in germination is hypothesized. The inhibitor was a linear, hydrophobic, pH stable and thermostable peptide with molecular weight of 1660 Da. The purified inhibitor showed a pI of 4.36 with the sequence as AEIYN KDGNK LDLYG. The inhibitor was found to be stable in a broad range of pH from 2 to 10 with an optimum of 3.0. The half-life of VrAPI at 100 degrees C was 30 min whereas the maximum activity was observed at 37 degrees C. The initial kinetic analysis of the inhibitor against the enclogenous protease showed an IC50 value of 11 nM while the value of the inhibition rate constant K-i was 34 x 10(-9) M. (C) 2009 Elsevier Inc. All rights reserved.
}, keywords = {Aspartic protease, Plant proteases, Protease inhibitors, Vigna radiata}, issn = {0196-9781}, doi = {10.1016/j.peptides.2009.08.024}, author = {Kulkarni, Aarohi and Rao, Mala} } @article { ISI:000268436500020, title = {Dipolar S=O center dot center dot center dot C=O and C-H center dot center dot center dot O interactions in the molecular organization of 4,6-di-O-acetyl-2-O-tosyl-myo-inositol 1,3,5-orthoesters}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {65}, number = {7}, year = {2009}, month = {JUL}, pages = {O335-O338}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
In the absence of conventional hydrogen bonding, the molecules of 4,6-di-O-acetyl-2-O-tosyl-myo-inositol 1,3,5-orthoformate, C(18)H(20)O(10)S, (I), and 4,6-di-O-acetyl-2-O-tosyl-myo-inositol 1,3,5-orthobenzoate, C(24)H(24)O(10)S, (II), are associated via C-H center dot center dot center dot O interactions. Molecules of (II) are additionally linked via dipolar S=O center dot center dot center dot C=O contacts. It is interesting to note that the sulfonyl O atom involved in the dipolar S=O center dot center dot center dot C=O contacts does not take part in any other interaction, indicating the competitive nature of this contact relative to the weak hydrogen-bonding interactions.
}, issn = {0108-2701}, doi = {10.1107/S0108270109017211}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000262657300005, title = {Direct H-2-to-H2O2 oxidation over highly active/selective Br-F-Pd/Al2O3 catalyst in aqueous acidic medium: Influence of process conditions on the H2O2 formation}, journal = {Applied Catalysis A-General}, volume = {352}, number = {1-2}, year = {2009}, month = {JAN}, pages = {35-42}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The influence of the O-2/H-2 mote ratio in the gaseous feed and also those of other reaction conditions [viz. concentration of H3PO4 (0-5 mol/dm(3)). temperature (5-50 degrees C, gas (H-2 and O-2) space velocity (5.8-23.4 h(-1)) and reaction time (0.1-8 h)] on the H2O2 formation in the H-2-to-H2O2 oxidation over the Br(1 wt\%)-F(1 wt\%)-Pd(5 wt\%)/Al2O3 catalyst in an aqueous acidic (H3PO4) medium have been thoroughly investigated. The effects of the O-2/H-2 ratio, reaction temperature and acid concentration on the destruction of H2O2 by its decomposition and/or hydrogenation reactions over the catalyst in the acidic reaction medium have also been studied. The net H2O2 formation (H2O2 yield) over the catalyst passed through a maximum with increasing the acid concentration, the temperature or the O-2/H-2 feed ratio. However, it decreased markedly with increasing the gas space velocity or the reaction period. The H2O2 decomposition and hydrogenation activities of the catalyst increased appreciably with increasing the reaction temperature and decreased with increasing the acid concentration. The H2O2 destruction during the H-2-to-H2O2 oxidation increased with increasing the concentration of H-2 (relative to that of O-2) due to the increased H2O2 hydrogenation rate over the catalyst. The net H2O2 formation in the H-2-to-H2O2 oxidation decreased sharply with increasing the initial amount of H2O2 present in the reaction mixture. The presence of H2O2 and the higher H-2/O-2 ratios have detrimental effects on the net formation of H2O2. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Br-F-Pd/Al2O3 catalyst, H2O2 decomposition, H2O2 hydrogenation, hydrogen oxidation, Hydrogen peroxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.09.028}, author = {Choudhary, Vasant R. and Jana, Prabhas} } @article { ISI:000263922500027, title = {Direct method for the preparation of glycolipid-metal nanoparticle conjugates: sophorolipids as reducing and capping agents for the synthesis of water re-dispersible silver nanoparticles and their antibacterial activity}, journal = {New Journal of Chemistry}, volume = {33}, number = {3}, year = {2009}, month = {DEC}, pages = {646-652}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The production of a new class of glycolipid-metal nanoparticle conjugates, namely, sophorolipid reduced/capped silver nanoparticles is demonstrated for the first time, by unveiling the reducing and capping abilities of sophorolipid derived from oleic acid. It is also demonstrated that the sophorolipid capped Ag nanoparticles are highly potent antibacterial agents, against both Gram-positive and Gram-negative bacteria. The utilization of sophorolipid brings out several advantages, such as eliminating the necessity for exogenous reducing agent and imparting better stability to the silver nanoparticles as compared to their oleic acid capped analogues. These sophorolipid capped silver nanoparticles can be obtained as a stable powder that can be re-dispersed in water as desired.
}, issn = {1144-0546}, doi = {10.1039/b811829a}, author = {Singh, Sanjay and Patel, Pitamber and Jaiswal, Swarna and Prabhune, Asmita and Ramana, C. V. and Bhagavatula L. V. Prasad} } @article { ISI:000271072500019, title = {Disproportionation of ethylbenzene in the presence of C-8 aromatics}, journal = {Journal of Natural Gas Chemistry}, volume = {18}, number = {3}, year = {2009}, month = {SEP}, pages = {369-374}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The selective synthesis of p-diethylbenzene (p-DEB) by disproportionation of ethylbenzene (EB) in the presence of aromatics like m- and p-xylene isomers has been studied over a pore size regulated HZSM-5 catalyst. The industrial feed having different compositions of ethylbenzene and xylene isomers was used for the experimentation. Hence, they were expected to hinder the movement of reactant molecules both on the external surface and within the zeolite channels. It was observed that irrespective of the different feed compositions the concentration of the xylene isomers was intact in the product. There is no other byproducts formation like para-ethylmethyl benzene. The effects of varying the concentration of aromatic compounds in the feed on ethylbenzene conversion and product distribution over the parent and modified H-ZSM-5 catalyst have been discussed. Ethylbenzene disproportionation reaction follows the pseudo first order reaction with an activation energy of 8.6 kcal/mol.
}, keywords = {Catalyst, diethylbenzene, disproportionation, ethylbenzene, xylene isomers}, issn = {1003-9953}, doi = {10.1016/S1003-9953(08)60125-5}, author = {Sharnappa, N. and Pai, S. and Bokade, Vijay V.} } @article { ISI:000268138400070, title = {Domain size manipulation of perflouorinated polymer electrolytes by sulfonic acid-functionalized MWCNTs to enhance fuel cell performance}, journal = {Langmuir}, volume = {25}, number = {14}, year = {2009}, month = {JUL}, pages = {8299-8305}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The application of sulfonic acid-functionalized multiwalled (s-MWNT) carbon nanotubes to manipulate the hydrophilic domain size of Nafion membranes is explored here as an option for tuning the proton conductivity of polymer electrolyte membranes for hydrogen-oxygen fuel cells. The electrochemical impedance experiments provide preliminary evidence of increased proton conductivity, while small-angle X-ray scattering measurements line. out enhanced ionic cluster domain size in these composite membranes as the central reason for higher conductivity (70 angstrom for the optimum composite membrane vs 50 angstrom for Nafion 115) values. Scanning electrochemical microscopy indicates synergistic interaction between the sulfonic acid functional groups present in the Nation membrane and those on the nanotube surface. More interestingly, the nanotube-tailored Nafion membranes ameliorate the performance of fuel cells as confirmed by measurements at a sin le-cell level, which reveal a maximum power density of 380 mW cm(-2), higher than those of Nafion 115 (250 mW cm(-2)) and recast Nafion (230 mW cm-2) membranes. Thus, in addition to providing an elegant means of controlling the ionic cluster size, the strategic approach of using CNT both as an anchoring backbone for -SO(3)H groups to enrich proton conductivity and as a blending agent to improve the mechanical characteristics of the Nafion phase might be helpful in alleviating many critical problems associated with the use of commercial Nafion membranes.
}, issn = {0743-7463}, doi = {10.1021/la9005218}, author = {Kannan, Ramaiyan and Parthasarathy, Meera and Maraveedu, Sreekuttan U. and Kurungot, Sreekumar and Pillai, Vijayamohanan K.} } @article { ISI:000270770900015, title = {Doping-induced microstructural, textural and optical properties of In2Ti1-xVxO5+delta semiconductors and their role in the photocatalytic splitting of water}, journal = {Materials Chemistry and Physics}, volume = {117}, number = {2-3}, year = {2009}, month = {OCT}, pages = {399-407}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The physicochemical properties of V-doped indium titanates (In2Ti1-xVxO5-delta, 0.0 \<= x \<= 0.2) were investigated by using XPS, powder XRD, UV-vis, SEM and luminescence spectroscopy techniques. The Rietveld refinement of XRD data revealed that even though the V-containing samples were isostructural with In2TiO5 (orthorhombic space group Pnma), a systematic x-dependent variation was noticeable in the Ti-O bond lengths in [TiO6] octahedral units, cell parameters and in the value of delta. XPS results confirmed the coexistence of V5+ and V4+ states, leading thereby to an enhancement in oxygen non-stoichiometry in the doped samples. A loading-dependent progressive shift from 400 to 750 nm was also observed in the onset of the absorption edge, indicating a significant narrowing of the band gap. Furthermore, the samples with higher V-content were comprised of the grain clusters having larger size and an irregular shape. The UV-vis. photoluminescence and thermoluminescence studies indicate that the doping-induced lattice defects may give rise to certain closely spaced acceptor/donor energy levels in between the band gap of host matrix. The indium titanates are found to serve as stable photocatalysts for water splitting under visible light, where oxygen was the major reaction product. The role of microstructural and morphological properties in the photocatalytic activity is discussed. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {In2Ti1-xVxO5+delta photocatalysts, Luminescence spectroscopy, Microstructure, Optical properties, Structure-activity relationship, water splitting}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2009.06.013}, author = {Shah, Pallavi and Bhange, Deu S. and Deshpande, Aparna and Kulkarni, Mukund S. and Gupta, Narendra M.} } @article { ISI:000264326100007, title = {Dramatic change in viscosities of pure ionic liquids upon addition of molecular solvents}, journal = {Journal of Solution Chemistry}, volume = {38}, number = {5}, year = {2009}, month = {MAY}, pages = {589-600}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Viscosities of binary mixtures of pyridinium based ionic liquids (1-butyl pyridinium tetrafluoroborate, [BP][BF(4)], 1-butyl 3-methyl pyridinium tetrafluoroborate [3-MBP][BF(4)], 1-butyl 4-methyl pyridinium tetrafluoroborate, [4-MBP][BF(4)]), and phosphonium based ionic liquids, (tetrabutyl phosphonium alaninate, [TBP][Ala]; tetrabutyl phosphonium valinate, [TBP][Val]) with the molecular solvents, water, methanol and dichloromethane, have been measured at 298.15 K. A Brookfield ultra-rheometer was employed to measure the reported viscosities. The drop in viscosity in the close vicinity of pure ionic liquid is more prominent in polar solvents like water compared to less polar solvents. The temperature dependence of this observation was also studied for binary mixtures of [4-MBP][BF(4)] with water in range of 298.15-323.15 K. The Vogel-Fulcher-Tamman (VFT) equation was employed to investigate the temperature dependence of the viscosities of pure pyridinium-based ionic liquids in the temperature range from 298.15-323.15 K.
}, keywords = {ionic liquids, Molecular solvents, VFT equations, viscosity}, issn = {0095-9782}, doi = {10.1007/s10953-009-9390-7}, author = {Khupse, Nageshwar D. and Kumar, Anil} } @article { ISI:000271506600038, title = {Effect of chirality of L/D-proline and prochiral glycine as the linker amino acid in five-atom linked thymidinyl-(alpha-aminoacid)-thymidine dimers}, journal = {Chemical Communications}, number = {43}, year = {2009}, month = {SEP}, pages = {6646-6648}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The chirality of the amide linker in dimer blocks was found to have a profound effect on the orientation of base stacking interactions as studied by CD and NMR spectroscopy.
}, issn = {1359-7345}, doi = {10.1039/b913546d}, author = {Seema Bagmare and D{\textquoteright}Costa, Moneesha and Kumar, Vaijayanti A.} } @article { ISI:000267662600010, title = {Effect of cultural conditions and media constituents on production of penicillin V acylase and CTAB treatment to enhance whole-cell enzyme activity of rhodotorula aurantiaca (NCIM 3425)}, journal = {Applied Biochemistry and Biotechnology}, volume = {157}, number = {3}, year = {2009}, month = {JUN}, pages = {463-472}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
Penicillin V acylase (PVA) is a pharmaceutically important enzyme as it plays a vital role in the manufacture of semi-synthetic beta-lactam antibiotics. Rhodotorula aurantiaca (NCIM 3425) produced high levels of intracellular penicillin V acylase after 18 h at pH 8.0 and temperature 27 degrees C. Fructose was the best carbon source for PVA production, whereas tryptone was the best nitrogen source to produce the enzyme up to 170 and 1,088 IU/l of culture, respectively. Additionally, the cell-bound PVA activity was enhanced on treatment with cationic detergent. Whole-cell activity was found to be doubled (204\%) on treatment of 0.01 g dry weight of cells with 50 mu g/ml solution of N-cetyl-N,N,N-trimethylammoniumbromide at pH 8.0 for 1 h at room temperature. Atomic force microscopy images of permeabilized cells show perturbation in the cell wall and offer first-ever visual illustration of surface structure modifications that occur during permeabilization of R. aurantiaca cells leading to enhancement in activity of intracellular enzyme.
}, keywords = {Atomic force microscopy, Intracellular enzyme, Penicillin Vacylase, Permeabilization, Rhodotorula aurantiaca}, issn = {0273-2289}, doi = {10.1007/s12010-008-8294-0}, author = {Kumar, Atul and Singh, Sanjay and Poddar, Pankaj and Prabhune, Asmita and Pundle, Archana} } @article { ISI:000270643800013, title = {Effect of different operational conditions on the decolorization of molasses spent wash using once developed soil inoculum}, journal = {Biodegradation}, volume = {20}, number = {6}, year = {2009}, month = {NOV}, pages = {867-874}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
A stirred vessel coupled with membrane unit containing cellulose acetate (0.45 mu m) membrane was used to study the decolorization of anaerobically digested molasses spent wash (MSW). The soil collected from the MSW disposal site was used as inoculum to study the decolorization without addition of any additives. The same inoculum was used over a period of 163 days at room temperature to study the decolorization of 12.5-50\% (v/v) MSW using different operational conditions. The reactor was entered in to the inhibition mode after the feeding of 50\% MSW, which was restored 100\% without changing any operational condition. The maximum decolorization obtained for 12.5\% (v/v) MSW was 77.22 +/- A 0.13\%. The decolorization achieved for 25, 37.5, and 50\% (v/v) MSW was 70.41 +/- A 0.12, 56.47 +/- A 0.17, and 48.78 +/- A 0.09\%, respectively. Increase in the utilization of protein and reducing sugar was observed up to 25\% MSW whereas, higher concentration showed decrease in the utilization. Results indicate 63\% removal of chemical oxygen demand for 12.5\% (v/v) MSW. Membrane flux which was significantly reduced after the feeding of 50\% MSW was regenerated without changing the washing procedure, however, 35\% decrease in sample flux was observed over the continuous use of membrane for the period of 198 days.
}, keywords = {Decolorization, Membrane flux, Molasses spent wash, Soil as inoculum, stirred vessel}, issn = {0923-9820}, doi = {10.1007/s10532-009-9274-y}, author = {Adikane, H. V. and Dixit, J. N.} } @article { ISI:000271103500012, title = {Effect of flow structures on heat transfer in single and multiphase jet reactors}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9428-9440}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
High frequency experimental measurements by hot film anemometry (HFA) of liquid velocities and temperature in the region of vapor-liquid (VL) and solid-liquid (SL) interfaces for two important reactor types, namely, condensation jet and jet loop reactors, have been studied for their heat transfer characteristics. An algorithm for flow structure identification has been devised from velocity data based oil (i) zero crossings and (ii) continuous wavelet transform. The wavelet transform algorithm is especially found to be useful in accurately estimating both the age and size distributions of eddies near interfaces in a multiscale framework Using these distributions, it is shown that the calculated values of heat transfer coefficients (HTC) at the SL and VL interfaces show remarkable correspondence with the HTC values obtained experimentally from instantaneous temperature measurements. For this purpose, a modified capacitance model has been proposed that takes into account the information about both the age and size distributions. The results obtained by the present methodology show the improvement possible for calculating the HTC at interfaces when compared with the earlier surface renewal models. It may therefore be used to study the interaction between flow dynamics and heat transfer behavior in chemical process equipment
}, issn = {0888-5885}, doi = {10.1021/ie900052s}, author = {Deshpande, Sagar S. and Mathpati, Channamallikarjun S. and Gulawani, Sagar S. and Joshi, Jyeshtharaj B. and Kumar, V. Ravi} } @article { ISI:000263212700021, title = {Effect of gamma-dose rate on crystallinity and morphological changes of gamma-sterilized biomedical polypropylene}, journal = {Polymer Degradation and Stability}, volume = {94}, number = {2}, year = {2009}, month = {FEB}, pages = {272-277}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The present work is aimed to study the changes in crystallinity and morphology of biomedical polyolefins after gamma-sterilization. The isotactic polypropylene (iPP) films were sterilized by gamma-radiation and the changes were characterized by differential scanning calorimetry (DSC), wide angle X-ray diffraction (WAXD) and atomic force microscopy (AFM) techniques. The effect of dose rate on crystallinity changes also was focused. It was found that crystallinity and morphology significantly changed with gamma-irradiation. There was an increase in crystallinity Lip to 10 kGy accompanied with decrease in viscosity and mechanical properties. The changes in crystallinity mainly depend on gamma-irradiation dose and dose rate. The rise in crystallinity was attributed to chain scission and forming new perfect lamellae. However, the reduction was accompanied by occurrence of gamma- and beta-phases and crosslinking. Possible explanations for transitions in phases are also discussed based on our results. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Crystallinity, Dose rate, Gamma radiation, mechanical properties, Morphology, polypropylene}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2008.10.027}, author = {Alariqi, Sameh A. S. and Kumar, A. Pratheep and Rao, B. S. M. and Singh, R. P.} } @article { ISI:000269206600022, title = {Effect of nickel nanofillers on the dielectric and magnetic properties of composites based on rubber in the X-band}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {97}, number = {1}, year = {2009}, month = {OCT}, pages = {157-165}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Nickel-rubber nanocomposites were synthesized by incorporating ferromagnetic nickel nanoparticles in a natural rubber as well as neoprene rubber matrix. Complex dielectric permittivity and magnetic permeability of these composites were evaluated in the X-band microwave frequencies at room temperature using cavity perturbation technique. The dielectric loss in natural rubber is smaller compared to neoprene rubber. A steady increase in the dielectric permittivity is observed with increase in the content of nickel in both the composites. The magnetic permeability exhibits a steady decrease with increase in frequency and magnetic loss shows a relaxation at 8 GHz. The suitability of these composites as microwave absorbers is modeled based on the reflection loss which is dependant on the real and imaginary components of the complex dielectric permittivity and magnetic permeability.
}, issn = {0947-8396}, doi = {10.1007/s00339-009-5284-1}, author = {Jamal, E. Muhammad Abdul and Mohanan, P. and Joy, Pattayil Alias and Kurian, Philip and Anantharaman, Maliemadom R.} } @article { ISI:000264899000012, title = {Effect of organic solvents on cell-bound penicillin V acylase activity of erwinia aroideae (DSMZ 30186): a permeabilization effect}, journal = {Journal of Molecular Catalysis B-Enzymatic}, volume = {57}, number = {1-4}, year = {2009}, month = {MAY}, pages = {67-71}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Erwinia aroideae (DSMZ 30186) is a potential microbial culture to produce intracellular penicillin V acylase (PVA). The whole cell PVA activity was improved by permeabilization with various organic solvents. The cell-bound PVA activity showed an eightfold increase upon treatment with chloroform (5 mu L/mg(dry) (biomass)) for 10 min and diethyl ether (10 mu L/mg(dry) (biomass)) for 45 min. Hexane, toluene, ethyl acetate and dichloromethane enhanced the enzyme activity up to two-, six-, four- and two-fold, respectively; whereas, PVA activity declined drastically on permeabilization with acetone, pyridine and alcohols. The physicochemical properties of the organic solvents used for permeabilization were correlated with the change in activity. It was found that solvents with high hydrophobicity (log P \> 0.68) and lower dielectric constant (\< 9) were relatively effective in increasing PVA activity. These results allow systematic selection of suitable solvent for best performance. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {dielectric constant, Erwinia aroideae, Hydrophobicity, Organic solvents, Penicillin V acylase, Permeabilization}, issn = {1381-1177}, doi = {10.1016/j.molcatb.2008.06.018}, author = {Kumar, Atul and Pundle, Archana} } @article { ISI:000262749400001, title = {Effect of relative humidity and sea level pressure on electrical conductivity of air over Indian ocean}, journal = {Journal of Geophysical Research-Atmospheres}, volume = {114}, year = {2009}, month = {JAN}, pages = {D02205}, publisher = {AMER GEOPHYSICAL UNION}, address = {2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA}, abstract = {
The electrical conductivity measured over the Indian Ocean (15 degrees N, 77 degrees E to 20 degrees S, 58 degrees E) during the Indian Ocean Experiment (INDOEX-1999) from 20 January to 12 March 1999 has been analyzed. The conductivity values over two oceanic regions, one with very low aerosol concentration and another with very high aerosol concentration, are studied in relation with meteorological parameters such as relative humidity and sea level pressure. The average conductivity is as low as 0.295 x 10(-14) Sm-1 in the region of high aerosol concentration and it is 0.783 x 10(-14) Sm-1 in the region of very low aerosol concentration. In both the regions, conductivity shows an inverse relation with relative humidity and this effect is more in the presence of high aerosol concentration. The hydrate growth of aerosol particles in high-humidity condition may be responsible for the inverse relation between conductivity and relative humidity. Size distributions of aerosol particles measured in the same cruise during high-humid conditions are also analyzed to show that sizes, rather than numbers, of aerosol particles increase with an increase in humidity. The relationship between conductivity and sea level pressure in these two regions is also studied and it shows good correlation in the region where the background aerosol concentration is low and no correlation in the region where aerosol concentration is high. The inverse relation between sea level pressure and electrical conductivity is attributed to the possible transportation of ultrafine particles from free troposphere, with subsiding motions associated with high pressure. The positive correlation between ultrafine particles and sea level pressure supports this idea.
}, issn = {2169-897X}, doi = {10.1029/2007JD009716}, author = {Pawar, S. D. and Murugavel, P. and Lal, D. M.} } @article { ISI:000273067400009, title = {Effect of sintering temperature and thermoelectric power studies of the system MgFe2-xCrxO4}, journal = {Solid State Sciences}, volume = {11}, number = {12}, year = {2009}, month = {DEC}, pages = {2075-2079}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Mixed metal oxides showing the spinel structure exhibit interesting structural and electrical properties. Substances with specific compositions in the system MgFe2-xCrxO4 were synthesized by the simple co-precipitation method and have been investigated by X-ray diffraction (XRD) and scanning electron microscope (SEM) to study the effect of temperature on the size of particles and grains. The infrared spectrum shows, two strong bands around 600 and 500 cm(-1). An elemental composition of one of the samples, MgFeCrO4 was found by energy dispersive X-ray spectroscopy (EDS). The thermoelectric power measurements carried out from room temperature to 500 degrees C, show both n-type and p-type behavior. (C) 2009 Elsevier Masson SAS. All rights reserved.
}, keywords = {synthesis, Temperature effect, Thermoelectric studies}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2009.09.005}, author = {Hankare, P. P. and Vader, V. T. and Sankpal, U. B. and Gavali, L. V. and Sasikala, R. and Mulla, Imtiaz S.} } @article { ISI:000263732700047, title = {Effects for the incorporation of five-atom thioacetamido nucleic acid (TANA) backbone on hybridization thermodynamics and kinetics of DNA duplexes}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {9}, year = {2009}, month = {MAR}, pages = {2944-2951}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Thermodynamic studies of nucleic acids serve not only to widen our understanding on the nature and strength of forces that stabilize nucleic acids in a myriad of structural states they assume but also to facilitate the development of databases that could be used to predict the stability and selectivity of probe/primer-sets required in a broad range of nucleic acid-based diagnostic and therapeutic protocols. In the current study, we investigated the effect of a novel, backbone-modified {\textquoteleft}{\textquoteleft}thioacetamido linkage{\textquoteright}{\textquoteright} (TANA) on thermodynamics of hybridization, binding kinetics, and conformation of a DNA duplex. The modification comprises of an extended five-atom amide (N3{\textquoteright}-CO-CH(2)-S-CH(2)) linker, as opposed to four-atom phosphodiester linker backbone present in DNA. One to three TANA-substitutions have been introduced in the linker backbone of two thymidine residues of one of the strand of the DNA duplex. Using spectroscopic and calorimetric techniques, we observed that TANA destabilizes the DNA helix by lowering the favorable enthalpy parameter of duplex formation. TANA center dot DNA duplexes were found to adopt a conformation toward an A-type duplex as shown by circular dichroism spectroscopy studies. Analysis of differential scanning calorimetry data indicated a nonzero heat capacity change, Delta C(p), accompanying the duplex formation. The average Delta C(p) change per duplex was found to be 832.5 cal mol(-1) K(-1), giving an average base-pair change of 59.5 cal (mol of base pairs)(-1) K(-1). Hybridization kinetic measurements using surface plasmon resonance indicated a decrease in binding affinity parameter (K(A)) that originates from higher dissociation rate constants (k(d)). Furthermore, optical melting studies showed that increasing the number of modifications results in a modest change in the number of counterions taken up during duplex formation.
}, issn = {1520-6106}, doi = {10.1021/jp808747g}, author = {Kaur, Harleen and Arora, Amit and Gogoi, K. and Solanke, P. and Gunjal, Anita D. and Kumar, Vaijayanti A. and Maiti, Souvik} } @article { ISI:000264538000029, title = {Efficient formal synthesis of (S)-dapoxetine from enantiopure 3-hydroxy azetidin-2-one}, journal = {Tetrahedron}, volume = {65}, number = {12}, year = {2009}, month = {MAR}, pages = {2605-2609}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient formal synthesis of S-(+) dapoxetine starting from 3-hydroxy azetidin-2-one is described. The intermediate (S)-3-(dimethyl amino)-3-phenylpropan-1-ol was synthesized in enantiopure form starting with 3-hydroxy azetidin-2-one in seven steps. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Azetidin 2 ones, beta-Lactams, Enantioselective synthesis, reduction, Staudinger reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.11.042}, author = {Chincholkar, Pinak M. and Kale, Ajaykumar S. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000263864900016, title = {Efficient gamma-Fe2O3 catalyst for liquid phase air oxidation of p-hydroxybenzyl alcohol under mild conditions}, journal = {Catalysis Communications}, volume = {10}, number = {5}, year = {2009}, month = {JAN}, pages = {485-489}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
gamma-Fe2O3 (maghemite) particles were synthesized at 5 degrees C (LT, low temperature) and 95 degrees C (HT, high temperature) using a simple chemical protocol. The major reflection in XRD was observed to be of the gamma-Fe2O3 phase which was further supported by the XPS analysis. Fe3+ species were responsible for initiation of the oxidation of p-hydroxybenzyl alcohol. SEM revealed that the morphologies of the catalysts were different for samples prepared at two different temperatures. gamma-Fe2O3 (LT) showed the highest catalyst activity (84\% conversion) for liquid phase air oxidation of p-hydroxybenzyl alcohol with 94\% selectivity to the oxidation products at 370 K and ambient pressure conditions. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Air oxidation, gamma-Fe2O3, p-Hydroxybenzaldehyde, p-Hydroxybenzyl alcohol, scanning electron microscopy}, issn = {1566-7367}, doi = {10.1016/j.catcom.2008.10.044}, author = {Garade, Ajit C. and Bharadwaj, M. and Bhagwat, S. V. and Athawale, A. A. and Rode, C. V.} } @article { ISI:000263749400010, title = {Efficient, rapid, and regioselective bromination of anilines and phenols with 1-butyl-3-methylpyridinium tribromide as a new reagent/solvent under mild conditions}, journal = {Tetrahedron Letters}, volume = {50}, number = {9}, year = {2009}, month = {MAR}, pages = {1007-1009}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
1-Butyl-3-methylpyridinium tribromide, [BMPy]Br(3) proves to be a highly efficient, regioselective reagent/solvent for nuclear bromination of various anilines and phenols. The synthesis and characterization of the room temperature ionic liquid [BMPy]Br(3) (2) is described. The bromination was carried out in the absence of organic solvents and in most cases the only extraction solvent needed was water. The spent 1-butyl-3-methylpyridinium bromide (1) was easily recycled. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Bromination, Ionic liquid, Regioselective, [BMPy]Br(3)}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.12.053}, author = {Borikar, Sanjay P. and Daniel, Thomas and Paul, Vincent} } @article { ISI:000271756700023, title = {Electronic decoupling of surface layers from bulk and its influence in oxidation catalysis: a molecular beam study}, journal = {Applied Surface Science}, volume = {256}, number = {2}, year = {2009}, note = {2nd International Conference on Physics at Surfaces and Interfaces (PSI2009), Puri, INDIA, FEB 23-27, 2009}, month = {OCT}, pages = {443-448}, publisher = {Inst Phys; Indian Assoc Cutivat Sci}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Interactions between oxygen and Pd-surfaces have important implications, especially towards oxidation reactions, and influence of subsurface oxygen to oxidation reactions is the focus of the present study. In our efforts to understand the above aspects, CO oxidation reactions have been carried out with mixed molecular beam (MB), consisting CO and O(2), on Pd(1 1 1) surfaces under a wide variety of conditions (T = 400-900 K, CO: O(2) = 7: 1 to 1: 10). A new aspect of the above reaction observed in the transient kinetics regime is the evidence for oxygen diffusion into Pd subsurface layers, and its significant influence towards CO oxidation at high temperatures (\>= 600 K). Interesting information derived from the above studies is the necessity to fill up the subsurface layers with oxygen atoms to a threshold coverage (theta(O-sub)), above which the reactive CO adsorption occurs on the surface and simultaneous CO(2) production begins. There is also a significant time delay (G) observed between the onset of oxygen adsorption and CO adsorption (and CO(2) production). Above studies suggest an electronic decoupling of oxygen covered surface and subsurface layers, which is slightly oxidized, from the metallic bulk, which induces CO adsorption at high temperatures and simultaneous oxidation to CO(2). (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Electronic decoupling, heterogeneous catalysis, molecular beam, Oxidation, Pd(111), Subsurface diffusion}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2009.06.107}, author = {Thirunavukkarasu, Kandasamy and Nagarajan, Sankaranarayanan and Gopinath, Chinnakonda S.} } @article { ISI:000267509500004, title = {Electronic manifestation of cation-vacancy-induced magnetic moments in a transparent oxide semiconductor: anatase Nb:TiO2}, journal = {Advanced Materials}, volume = {21}, number = {22}, year = {2009}, month = {JUN}, pages = {2282+}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Nb-doped anatase TiO2 thin films grown by pulsed-laser deposition show Kondo scattering in elctronic-transport measurements, providing evidence for the formation of magnetic moments. The origin of magnetism is attributed to cation (Ti) vacancies, confirmed by X-ray absorption spectroscopy and first-principle calculations. The Ti vacancies are controlled by oxygen partial pressure during growth.
}, issn = {0935-9648}, doi = {10.1002/adma.200803019}, author = {Zhang, Shixiong and Ogale, Satishchandra B. and Yu, Weiqiang and Gao, Xingyu and Liu, Tao and Ghosh, Saurabh and Das, Gour P. and Wee, Andrew T. S. and Greene, Richard L. and Venkatesan, Thirumalai} } @article { ISI:000268138200061, title = {Electronic structure and catalytic study of solid solution of GaN in ZnO}, journal = {Chemistry of Materials}, volume = {21}, number = {13}, year = {2009}, month = {JUL}, pages = {2973-2979}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Solid solutions of GaN in ZnO (Zn1-zGaz)(O1-xNx) (x and z \<= 0.15) have been prepared by simple solution combustion method, Except for minor changes in the lattice contraction, no significant change in the Wurtzite structure was observed. Raman and secondary ion mass spectrometry results show the direct Zn-N and Ga-N bonds in (Zn1-zGaz)(O1-xNx). Visible light absorption and XPS results demonstrate that N 2p states of nitride occupy the states above the O 2p valence band, and hence a change in optical band gap reduction occurs to similar to 2.5 eV from 3.37 eV for ZnO. Significant nitrogen fixation catalytic activity through NH3 formation has been observed at ambient pressure oil virgin (Zn1-zGaz)(O1-xNx) material, indicating its potential as a catalyst.
}, issn = {0897-4756}, doi = {10.1021/cm900682q}, author = {Mapa, Maitri and Thushara, K. S. and Saha, Biswajit and Chakraborty, Purushottam and Janet, C. M. and Viswanath, R. P. and Nair, C. Madhavan and Murty, K. V. G. K. and Gopinath, Chinnakonda S.} } @article { ISI:000272089600022, title = {Enantioselective synthesis of decarestrictine J}, journal = {Tetrahedron Letters}, volume = {50}, number = {51}, year = {2009}, month = {DEC}, pages = {7188-7190}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient total synthesis of decarestrictine J has been achieved using ring-closing metathesis and Yamaguchi esterification as key steps. The stereogenic centres were generated by means of iterative hydrolytic kinetic resolution (HKR) of racemic epoxides. (c) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Decanolides, epoxides, Hydrolytic kinetic resolution, Ring-closing metathesis, Yamaguchi esterification}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.10.035}, author = {Chowdhury, Partha Sarathi and Gupta, Priti and Kumar, Pradeep} } @article { ISI:000267070700046, title = {Enantioselective total synthesis of (2S,3R,4R)-D-xylo-phytosphingosine from substituted azetidin-2-one}, journal = {Tetrahedron Letters}, volume = {50}, number = {26}, year = {2009}, month = {JUL}, pages = {3296-3298}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Enantiomerically pure (2S,3R,4R)-D-xylo phytosphingosine is synthesized in 36\% overall yield in seven steps from known beta-lactam (8) derived from D-mannitol triacetonide. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {beta-lactam, Enantioselective synthesis, Sphingosine, Wittig reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.02.050}, author = {Pandey, Ganesh and Tiwari, Dharmendra Kumar} } @article { ISI:000270363600029, title = {Enhanced conversion efficiency in dye-sensitized solar cells based on hydrothermally synthesized TiO2-MWCNT nanocomposites}, journal = {ACS Applied Materials \& Interfaces}, volume = {1}, number = {9}, year = {2009}, month = {SEP}, pages = {2030-2035}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A 50 \% enhancement in the conversion efficiency (4.9-7.37 \%) is realized in dye-sensitized solar cells Using hydrothermally synthesized TiO2-multiwalled carbon nanotube (MWCNT) nanocomposites as compared to hydrothermally synthesized TiO2 without MWCNT and Degussa P25. Several characterizations have been employed to reveal the nature of the modification imparted to the MWCNTs under hydrothermal processing conditions and the resulting TiO2-MWCNT conjugation through -COOH groups. Efficient charge transfer In the nanocomposite and efficient electron transport by MWCNT (significantly higher Incident-photon-to-current conversion efficiency) are suggested to be the possible reasons for the enhancement.
}, keywords = {Carbon nanotubes, charge transfer, Dye-sensitized solar cells, Hybrid composite, hydrothermal}, issn = {1944-8244}, doi = {10.1021/am900396m}, author = {Muduli, Subas and Lee, Wonjoo and Dhas, Vivek V. and Mujawar, Sarfraj and Dubey, Megha and Vijayamohanan, K. and Han, Sung-Hwan and Ogale, Satishchandra} } @article { ISI:000272052200068, title = {Enhanced nonvolatile resistive switching in dilutely cobalt doped TiO2}, journal = {Applied Physics Letters}, volume = {95}, number = {20}, year = {2009}, month = {NOV}, pages = {203502}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Incorporation of dilute concentration of dopant having a valence state different than that of the host cation enables controlled incorporation proximity vacancy defects for local charge balance. Since nonvolatile resistive switching is a phenomenon tied to such defects, it can be expected to be influenced by dilute doping. In this work, we demonstrate that enhanced nonvolatile resistive switching is realized in dilutely cobalt doped TiO2 films grown at room temperature. We provide essential characterizations and analyses. We suggest that the oxygen vacancies in the proximity of immobile dopants provide well distributed anchors for the development of systematic filamentary tracks.
}, keywords = {cobalt, Doping, magnetic switching, random-access storage, titanium compounds, vacancies (crystal), valency}, issn = {0003-6951}, doi = {10.1063/1.3263713}, author = {Bogle, Kashinath A. and Bachhav, Mukesh N. and Deo, Meenal S. and Valanoor, Nagarajan and Ogale, Satishchandra B.} } @article { ISI:000265398300007, title = {Enhanced production of amidase from Rhodococcus erythropolis MTCC 1526 by medium optimisation using a statistical experimental design}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {36}, number = {5}, year = {2009}, month = {MAY}, pages = {671-678}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
In the present work, statistical experimental methodology was used to enhance the production of amidase from Rhodococcus erythropolis MTCC 1526. R. erythropolis MTCC 1526 was selected through screening of seven strains of Rhodococcus species. The Placket-Burman screening experiments suggested that sorbitol as carbon source, yeast extract and meat peptone as nitrogen sources, and acetamide as amidase inducer are the most influential media components. The concentrations of these four media components were optimised using a face-centred design of response surface methodology (RSM). The optimum medium composition for amidase production was found to contain sorbitol (5 g/L), yeast extract (4 g/L), meat peptone (2.5 g/L), and acetamide (12.25 mM). Amidase activities before and after optimisation were 157.85 units/g dry cells and 1,086.57 units/g dry cells, respectively. Thus, use of RSM increased production of amidase from R. erythropolis MTCC 1526 by 6.88-fold.
}, keywords = {Amidase, Medium optimisation, Plackett-Burman screening, Response surface methodology, Rhodococcus erythropolis}, issn = {1367-5435}, doi = {10.1007/s10295-009-0536-9}, author = {Vaidya, Bhalchandra K. and Mutalik, Snehal R. and Joshi, Renuka M. and Nene, Sanjay N. and Kulkarni, Bhaskar D.} } @article { ISI:000263070700020, title = {Enhanced solar-radiation induced photocatalytic activity of surface-modified nanocrystalline anatase-titania}, journal = {Catalysis Letters}, volume = {128}, number = {1-2}, year = {2009}, month = {MAR}, pages = {137-143}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Sol-gel derived pure nanocrystalline (similar to 20-30 nm) anatase-titania has been surface-modified by depositing silver(I) oxide and silver (predominantly the former) via UV-reduction process. The pure and surface-modified nanocrystalline anatase-titania have been characterized using different analytical techniques for determining the average nanocrystallite size, phase-contents, surface-chemistry, as well as the absorption and photoluminescence characteristics. It is demonstrated that, the latter exhibits an enhanced solar-radiation induced photocatalytic activity as compared to that of the former as a result of the absorption in the visible-region and enhanced photo-induced e(-)/h(+) life-time, both caused by the surface-deposition of silver(I) oxide and silver.
}, keywords = {Nanocrystalline, Photocatalysis, Silver, sol-gel, titania, UV-reduction}, issn = {1011-372X}, doi = {10.1007/s10562-008-9704-1}, author = {Priya, R. and Baiju, K. V. and Shukla, S. and Biju, S. and Reddy, M. L. P. and Patil, K. R. and Warrier, K. G. K.} } @article { ISI:000262301900031, title = {Enhancing intermolecular benzoyl-transfer reactivity in crystals by growing a {\textquoteleft}{\textquoteleft}reactive{\textquoteright}{\textquoteright} metastable polymorph by using a chiral additive}, journal = {Chemistry-A European Journal}, volume = {15}, number = {1}, year = {2009}, month = {NOV}, pages = {261-269}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Racemic 2,4-di-O-benzoyl-myo-inositol-1,3,5-orthoacetate, which normally crystallizes in a monoclinic form (form I, space group P2(1)/n) could be persuaded to crystallize out as a metastable polymorph (form II, space group C2/c) by using a small amount of either D- or L- 2,4-di-O-benzoyl-myo-inositol-1,3,5-orthoformate as an additive in the crystallization medium. The structurally similar enantiomeric additive was chosen by the scrutiny of previous experimental results on the crystallization of racemic 2,4-di-O-benzoyl-myo-inositol-1,3,5-orthoacetate. Form II crystals call be thermally transformed to form I crystals at about 145 degrees C. The relative organization of the molecules in these dimorphs vary slightly in terms of the helical assembly of molecules, that is, electrophile (El)center dot center dot center dot nucleophile (Nu) and C-H center dot center dot center dot pi interactions, but these minor variations have a profound effect on the facility and specificity of benzoyl-group-transfer reactivity in the two crystal forms. While form II crystals undergo a clean intermolecular benzoyl-group-transfer reaction, form I crystals are less reactive and undergo non-specific benzoyl-group transfer leading to a Mixture of products. The role played by the additive in fine-tuning small changes that are required in the molecular packing opens up the possibility of creating new polymorphs that show varied physical and chemical properties. Crystals of D-2.6-di-O-benzoyl-myo-inositol-1,3,5-orthoformate (additive) did not show facile benzoyl-group-transfer reactivity (in contrast to the corresponding racemic compound) due to the lack of proper juxtaposition and assembly of molecules.
}, keywords = {Acylation, carbohydrates, Crystal growth, cyclitols, solid-state reactions}, issn = {0947-6539}, doi = {10.1002/chem.200801484}, author = {Murali, Chebrolu and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000270790500006, title = {Entrainer for batch distillation of acetic acid -water system}, journal = {Journal of Scientific \& Industrial Research}, volume = {68}, number = {10}, year = {2009}, month = {OCT}, pages = {871-875}, publisher = {NATL INST SCIENCE COMMUNICATION}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {
Acetic acid-water system (AW) poses a challenge in reactive distillation, acetic acid purity and loss of acetic acid in aqueous solutions. Feasible separation of AW has been studied using entrainers but acetic acid loss in lean phase cannot be avoided. This study presents feasible region to operate column with toluene and benzene as entrainer for AW. Liquid-liquid equilibrium data and nature of tie line for ethyl acetate are given priority.
}, keywords = {Acetic acid, Batch distillation, Benzene, Entrainer, Toluene}, issn = {0022-4456}, author = {Gadekar, S. V. and Naik, R. V. and Kaul, S. N.} } @article { ISI:000262886200019, title = {Epitaxially grown zinc-blende structured Mn doped ZnO nanoshell on ZnS nanoparticles}, journal = {Materials Research Bulletin}, volume = {44}, number = {2}, year = {2009}, month = {FEB}, pages = {339-344}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Zinc oxide in the bulk as well as in the nanocrystalline form is thermodynamically stable in the wurtzite structure. However, zinc oxide in the zinc-blende structure is more useful than that in the wurtzite structure due to its superior electronic properties as well as possibility of efficient doping. Therefore, zinc oxide shell is grown epitaxially on zinc sulphide core nanoparticles having zinc-blende structure. It is shown that doping of manganese could be achieved in zinc oxide nanoshell with zinc-blende structure. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Chemical synthesis, Luminescence, Nanostructures, Semiconductors, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2008.05.015}, author = {Limaye, Mukta V. and Singh, Shashi B. and Date, Sadgopal K. and Gholap, Ramkrishna S. and Kulkarni, Sulabha K.} } @article { ISI:000264472000008, title = {Epoxy powder coatings containing polyaniline for enhanced corrosion protection}, journal = {Progress in Organic Coatings}, volume = {64}, number = {4}, year = {2009}, month = {MAR}, pages = {383-386}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Incorporation of polyaniline (PANI) in epoxy type powder coating formulations has not been attempted earlier. Using specific grade of PANI with low doping, it can be incorporated in epoxy powder coating formulations by twin screw extrusion process. The powder formulations were deposited on steel substrates by electrostatic spray coating at -60 W and baked at 140 degrees C for 20 min. These were extensively tested for corrosion resistance by exposure to hot saline conditions followed by electrochemical impedance spectroscopy and also salt spray testing. PANI incorporated coatings showed no deterioration even after 1400 h of hot (65 degrees C) saline treatment. The coatings intentionally scratched also exhibited self healing property and there was no rust formation even after prolonged exposure to hot saline conditions. These results could be explained on the basis of additional crosslinking due to PANI, as confirmed by DSC results, which gave rise to improved barrier property and self healing was associated with the scavenging of ions by PANI which prevented corrosion of the underlying substrate. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Corrosion resistance, Epoxy, polyaniline, Powder coating}, issn = {0300-9440}, doi = {10.1016/j.pargcoat.2008.07.024}, author = {Radhakrishnan, S. and Sonawane, Narendra and Siju, C. R.} } @article { ISI:000265439000152, title = {Estimation of free fatty acid content in oils, fats, and biodiesel by (1)H NMR spectroscopy}, journal = {Energy \& Fuels}, volume = {23}, year = {2009}, month = {MAR}, pages = {2273-2277}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A novel (1)H NMR method for the quantification of free fatty acid (FFA) content in vegetable oils, animal fats, and biodiesel is reported. Nonedible oils and animal fats, which are increasingly being explored as cheaper, renewable feed stocks for biodiesel production by transesterification with methanol, contain a significant amount of FFA along with other acidic impurities. The (1)H NMR spectroscopic method is found to be more accurate than the conventional titrimetric analysis for the estimation of FFA content especially in those cases where acidic entities other than the FFA are also present in the feedstock. The titrimetric methods provide a gross acid value which corresponds to that of FFA and other acidic impurities. Our NMR method provides the FFA content exclusively. In the case of refined edible oils (wherein the other acidic impurities are negligible), the results obtained from the (1)H NMR method are comparable with those from the titrimetic analysis.
}, issn = {0887-0624}, doi = {10.1021/ef801011v}, author = {Satyarthi, Jitendra K. and Srinivas, D. and Ratnasamy, Paul} } @article { ISI:000208013800003, title = {Eudragit (R) EPO based nanoparticle suspension of andrographolide: in vitro and in vivo}, journal = {Nanoscience and Nanotechnology Letters}, volume = {1}, number = {3}, year = {2009}, month = {DEC}, pages = {156-164}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Characteristic formulation of an isolated active phytoconstituent is of great therapeutic significance. The purpose of this work was to develop Eudragit (R) EPO based nanoparticle suspension of isolated andrographolide in order to increase its solubility and efficacy. Andrographolide was isolated from Andrographis paniculata and Its Nanoparticle suspension was prepared by precipitation technique. The 3(2) factorial design was used to study the effect of Eudragit (R) EPO and Pluronic (R) F-68 on characteristics of nanoparticle suspension. The optimized formulation was subjected to lyophilization. The nanoparticle suspension, lyophilized suspension and the redispersed lyophilized nanoparticle suspension were characterized by drug content, encapsulation efficiency, particle size, electrokinetic properties, DSC, PXRD, FTIR, TEM and in vitro drug release. Optimized batch showed particle size 255 +/- 9 nm with encapsulation efficiency 93.8 +/- 0.67\% and zeta potential 29.3 +/- 3.4 mV. There was marked increase in drug dissolution with complete drug release within 10 minutes in nanoparticle suspension and redispersed naoparticle suspension as compared to pure drug. However, lyophilization retarded the drug release. The nanoparticle suspension and redispersed nanoparticle suspension also showed improved hepatoprotectivity as compared to andrographolide against CCl(4)-induced hepatotoxicity in rats. The results were confirmed by histopathological studies on hepatic lesions. Thus particle engineering can be used to improve pharmaceutical properties of phytoconstituents.
}, keywords = {Andrographolide, Eudragit (R) EPO, Hepatoprotective Activity, Nanoparticle Suspension, Pluronic (R) F-68}, issn = {1941-4900}, doi = {10.1166/nnl.2009.1029}, author = {Bothiraja, C. and Pawar, Atmaram P. and Shaikh, Karimunnisa S. and Sher, Praveen} } @article { ISI:000272536800003, title = {Evaluation of high performance liquid chromatography purified leptospiral antigen for the diagnosis of leptospirosis}, journal = {Japanese Journal of Infectious Diseases}, volume = {62}, number = {6}, year = {2009}, month = {NOV}, pages = {428-431}, publisher = {NATL INST INFECTIOUS DISEASES}, address = {JPN J INFECT DIS ED OFF NATL INST INFECTIOUS DISEASES TOYAMA 1-23-1, SHINJUKU-KU, TOKYO, 162-8640, JAPAN}, abstract = {
Leptospirosis is a re-emerging infection, and often occurs in outbreaks. Early diagnosis is important for appropriate control measures and treatment. The sensitivity and specificity of the diagnostic test depends on the antigen, which is used for the detection of antibodies. In the present study, an effort was made to purify and characterize leptospiral antigens, and their performance in the laboratory was assessed. Leptospira biflexa semaranga, Patoc was subjected to processing by the heat extraction method, and the crude antigenic preparation was subjected to high-performance liquid chromatography for purification. The purified antigen fractions were subjected to enzyme-linked immunosorbent assay (ELISA) to determine their reactivity. Only the reactive fractions were tested for specificity by ELISA by allowing the fractions to react with positive sera of patients with non-leptospiral illness. H1, the purified antigen fraction of the heat-extracted preparation, was found to be the most reactive and specific of all fractions tested. The protein was found to have a molecular weight of 50 kDa. The performance of H1 in the laboratory was assessed by formulating an in-house ELISA using the H1 antigen. The results were compared with those of microscopic agglutination testing and commercial ELISA. The specificity and sensitivity of in-house ELISA using the H1 antigen were found to be 93.3 and 85.0\%, respectively.
}, issn = {1344-6304}, author = {Pol, Sae and Bharadwaj, Renu} } @article { ISI:000268120200001, title = {Evaluation of repulsive particle swarm method for phase equilibrium and phase stability problems}, journal = {Fluid Phase Equilibria}, volume = {282}, number = {2}, year = {2009}, month = {AUG}, pages = {65-67}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Phase equilibrium and stability problems are of crucial importance in simulation, design and optimization of several separation processes. Recently, these problems have been solved using minimization of Gibbs free energy, using global optimization techniques. In this paper, repulsive particle swarm (RPS), a recent global optimization technique is explored for the Solution of phase stability and phase equilibrium. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Liquid-liquid equilibria, Phase equilibrium, Phase stability analysis, Repulsive particle swarm method}, issn = {0378-3812}, doi = {10.1016/j.fluid.2009.04.014}, author = {Rahman, Imran and Das, Anwesh Kr. and Mankar, Raju B. and Kulkarni, B. D.} } @article { ISI:000264236700037, title = {Exploration of click reaction for the synthesis of modified nucleosides as chitin synthase inhibitors}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {17}, number = {6}, year = {2009}, month = {MAR}, pages = {2433-2440}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Click reaction approach toward the synthesis of two sets of novel 1,2,3-triazolyl linked uridine derivatives 19a-19g and 21a-21g was achieved by Cu(I)-catalyzed 1,3-dipolar cycloaddition of 5{\textquoteright}-azido-5{\textquoteright}-deoxy-2{\textquoteright},3{\textquoteright}-O-(1-methylethylidene) uridine (17) with propargylated ether of phenols 18a-18g and propargylated esters 20a-20g. Structure of one of the representative compound 19d was unambiguously confirmed by X-ray crystallography. Chitin synthase inhibition study of all these compounds 19a-19g and 21a-21g was carried out to develop antifungal strategy. Compounds 19d, 19e, 19f, and 21f were identified as potent chitin synthase inhibitors by comparing with nikkomycin. Compounds 19a, 19b, 19c, 19d, 21a, and 21b showed good antifungal activity against human and plant pathogens. Compounds 19a, 19b, 19f, 21c, 21f, and 21g were identified as lead chitin synthase inhibitors for further modi. cations by comparing results of inhibition of growth, \% germ tube formation and chitin synthase activity. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {1, 2, 3-dipolar cycloaddition, 3-Triazole, 4-Disubstituted-1, 5 {\textquoteleft}-Azidouridine, Antifungal compounds, Chitin synthase activity, Click reaction, Uridine nucleosides}, issn = {0968-0896}, doi = {10.1016/j.bmc.2009.02.019}, author = {Chaudhary, Preeti M. and Chavan, Sayalee R. and Shirazi, Fazal and Razdan, Meenakshi and Nimkar, Prachi and Maybhate, Shailaja P. and Likhite, Anjali P. and Gonnade, Rajesh G. and Hazra, Braja G. and Deshpande, Mukund V. and Deshpande, Sunita R.} } @article { ISI:000267587600014, title = {Facile approach to diverse range of 1,3-diaza-heterocycles: angular/linear selectivity paradigm and a remarkable intramolecular methyl migration}, journal = {Tetrahedron}, volume = {65}, number = {27}, year = {2009}, month = {JUL}, pages = {5244-5250}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Starting from cyclic anhydrides and tert-butyl 2-aminobenzylcarbamate, simple and efficient synthesis of diverse range of kinetically controlled angular and thermodynamically controlled linear tricyclic and tetracyclic 1,3-diaza-heterocycles have been described via the intramolecular cyclizations of the corresponding imides/anilic acid esters. The effect of imide stability on the angular/linear product selectivity has also been described. The kinetically controlled angular products were successfully transformed to the corresponding thermodynamically controlled linear products by refluxing in methanol or methanol and acetic acid mixture. An interesting in situ 1,2-intramolecular methyl group migration has also been described. (C) 2009 Elsevier Ltd. All rights reserved.
}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.04.088}, author = {Kshirsagar, Umesh A. and N. P. Argade} } @article { ISI:000265517700038, title = {Facile synthesis of 5,6-dihydro-5-hydroxy-2(1H)-pyridone}, journal = {Tetrahedron Letters}, volume = {50}, number = {20}, year = {2009}, month = {MAY}, pages = {2440-2442}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short synthesis of 5,6-dihydro-5-hydroxy-2(1H)-pyridone was achieved from L-serine employing Horner-Emmons olefination as the key step. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {alkaloids, Horner-Emmons olefination, L-serine, Pyridone, Z-selectivity}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.03.026}, author = {Upadhyay, Puspesh K. and Prasad, Rajendra and Pandey, Menaka and Kumar, Pradeep} } @article { ISI:000266526200007, title = {Feature selection and classification employing hybrid ant colony optimization/random forest methodology}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {12}, number = {5}, year = {2009}, month = {JUN}, pages = {507-513}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Accurate classification of instances depends on identification and removal of redundant features. Classification of data having high dimensionality is usually performed in conjunction with an appropriate feature selection method. Feature selection enables identification of the most informative feature subset from the enormously vast search space that can accurately classify the given data. We propose an ant colony optimization (ACO)/random forest based hybrid filter-wrapper search technique, which traverses the search space and selects a feature subset with high classifying ability. We evaluate the performance of our algorithm on four widely studied CoEPrA (Comparative Evaluation of Prediction Algorithms, http://coepra.org) datasets. The performance of the software ants mediated hybrid filter/wrapper approach compares well with the available competition results. Thus, the proposed Ant Colony Optimization based technique can effectively find small feature subsets capable of classifying with a very good accuracy and can be employed for feature subset selection with a high level of confidence.
}, issn = {1386-2073}, author = {Patil, Diwakar and Raj, Rahul and Shingade, Prashant and Kulkarni, Bhaskar and Jayaraman, Valadi K.} } @article { ISI:000261862800001, title = {Features of homotetrameric molecular association in protein crystals}, journal = {Acta Crystallographica Section D-Biological Crystallography}, volume = {65}, year = {2009}, month = {JAN}, pages = {1-10}, publisher = {WILEY-BLACKWELL PUBLISHING, INC}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
The crystal structures of proteins showing homotetrameric association, a common feature observed in many lectins, have been analyzed in order to understand the characteristics of tetrameric association in terms of the arrangement of subunits and their biological significance. The analysis could group the tetramer units into the following four categories. (i) Tetrahedral molecules, in which the four monomers form a nearly perfect tetrahedral arrangement. The angle between the axes of any two monomers is similar to 109 degrees. (ii) Molecules that form a sandwiched dimer of dimers in which the two dimers are arranged perpendicular to each other, one upon the other. (iii) Planar molecules, in which the four monomers lie in one plane and the corresponding sides of adjacent monomers face in opposite directions. This can be considered as a flattened tetrahedral shape. (iv) Planar closed molecules, in which all four monomers lie in one plane arranged in a head-to-tail fashion in a square. The first group and its variant, the third group, are the most commonly found arrangements in crystal structures. Each arrangement has its own importance for biological function. Some tetrameric assemblies that deviate from the majority described above also have relevance to their biological function.
}, issn = {0907-4449}, doi = {10.1107/S0907444908029867}, author = {Katre, Uma V. and Suresh, C. G.} } @article { ISI:000271843400019, title = {Ferromagnetic properties of glucose coated Cu2O nanoparticles}, journal = {Solid State Communications}, volume = {149}, number = {47-48}, year = {2009}, month = {DEC}, pages = {2199-2201}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Magnetic properties of glucose coated cuprous oxide nanoparticles of different sizes have been studied. Unlike bulk Cu2O, which shows diamagnetic behavior, the nanoparticles show superparamagnetic behavior. A superparamagnetic blocking temperature of 21 K is observed for 5 nm particles. A magnetic hysteresis loop with a coercivity of 406 Oe is observed for these particles at 5 K. The magnetization and the coercivity increase with decreasing particle size. The superparamagnetic behavior, along with the increase in magnetization and coercivity with decreasing particle size, is due to the enhanced surface contributions to the magnetism. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Chemical synthesis, Cuprous oxide, magnetic properties, Nanoparticles}, issn = {0038-1098}, doi = {10.1016/j.ssc.2009.09.013}, author = {Mahajan, Mangesh B. and Pavan, M. S. and Joy, Pattayil Alias} } @article { ISI:000264644800018, title = {Ferromagnetic to spin glass cross over in (La,Tb)(2/3)Ca1/3MnO3}, journal = {Solid State Sciences}, volume = {11}, number = {3}, year = {2009}, month = {MAR}, pages = {714-718}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In the series La2/3-xTbxCa1/3MnO3, it is known that the compositions are ferromagnetic for smaller values of x and show spin glass characteristics at larger values of x. Our studies on the magnetic properties of various compositions in the La2/3-xTbxCa1/3MnO3 series show that the cross over from ferromagnetic to spin glass region takes place above x approximate to 1/8. Also, a low temperature anomaly at 30 K, observed in the ac susceptibility curves, disappears for compositions above this critical value of x. A mixed phase region coexists in the narrow compositional range 0.1 \<= x \<= 0.125, indicating that the ferromagnetic to spin glass cross over is not abrupt. (C) 2008 Elsevier Masson SAS. All rights reserved.
}, keywords = {Ferromagnetism, Magnetic clusters, Manganites, perovskite, Spin glass}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2008.10.002}, author = {Sankar, C. Raj and Vijayanand, S. and Joy, Pattayil Alias} } @article { ISI:000271103500001, title = {Festschrift in Honor of Dr. B. D. Kulkarni}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9355-9356}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0888-5885}, doi = {10.1021/ie901367r}, author = {Yadav, Ganapati D. and Jayaraman, Valadi K. and Ravikumar, V.} } @article { ISI:000267498700010, title = {Field emission investigation of single Fe-doped SnO2 wire}, journal = {Solid State Sciences}, volume = {11}, number = {6}, year = {2009}, month = {JUN}, pages = {1114-1117}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Tin oxide submicronwires doped with Fe element were prepared by the thermal evaporation method. Morphological and structural characterizations revealed wires with sub micron size and crystalline in nature. The field electron emission from the single Fe:SnO2 wire was carried out in conventional field emission microscope. The Fowler-Nordheim plot obtained from I-V characteristics of the wire showed a linear behavior typical that of metal. The field enhancement factor estimated from the slope of the F-N plot is 7455 cm(-1), indicating that the field emission is from nanometric features of the emitter. A current density of 10 A/cm(2) has been obtained at an applied field of 4.845 x 10(3) V/mu m. The field emission current-time record at a current level of 1 mu A for more than 3 h duration is promising for various field emissions based applications. (C) 2009 Published by Elsevier Masson SAS.
}, keywords = {Current stability, Fe doped, field emission, SnO2}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2009.02.011}, author = {Bhise, Ashok B. and Late, Dattatray J. and Sathe, Bhaskar R. and More, Mahendra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Joag, Dilip S.} } @article { ISI:000271238900027, title = {Field emission properties of Al-doped ZnO nanostructures}, journal = {Journal of Nano Research}, volume = {5}, year = {2009}, month = {JAN}, pages = {231-237}, publisher = {TRANS TECH PUBLICATIONS LTD}, address = {LAUBISRUTISTR 24, STAFA-ZUERICH, CH-8712, SWITZERLAND}, abstract = {
Field emission from Al-doped ZnO nanostrcutures has been investigated in planar diode configuration under ultra high vacuum conditions. The Al-doped ZnO nanostructures were synthesized by co-precipitation method with varying aluminium concentrations. The as- synthesized product was characterized by x-ray diffraction, scanning electron microscope and energy dispersive x-ray analysis. The threshold field required to draw a current density of similar to 1 mu A/cm(2) was observed to be similar to 2.0 V/mu m and similar to 2.3 V/mu m for Al-doped ZnO nanostructures synthesized with aluminium concentrations of 1\% and 3\%, respectively. The Fowler- Nordheim (F-N) plots for both the specimens exhibit non-linear behaviour, which is observed to be specimen dependent. The nonlinearity observed in the F-N plots has been interpreted on the basis of the theory of electron emission from semiconductor emitters. The field enhancement factors, estimated from the slope of the F-N plots, are found to be similar to 9.3 x 10(3) and 3.9 x 10(3) for 1\% and 3\% Al-doped ZnO emitters, respectively. The high values of the field enhancement factor Suggest that the emission is from the nanostructures. The emission current stability measured at the preset value of similar to 2 mu A over a period of more than three hours is found to be fairly stable. The results indicate use of Al-doped ZnO nanostructures as promising emitters for field emission based devices.
}, keywords = {field emission, Fowler-Nordheim plots, Nanostructures, ZnO}, issn = {1662-5250}, author = {Navale, Shalaka C. and Sheini, Farid Jamali and Patil, Sandip S. and Mulla, Imtiaz S. and Joag, Dilip S. and More, Mahendra A. and Gosavi, Suresh W.} } @article { ISI:000267983100004, title = {First- and second-order electrical properties computed at the FSMRCCSD level for excited states of closed-shell molecules using the constrained-variational approach}, journal = {Journal of Chemical Physics}, volume = {131}, number = {2}, year = {2009}, month = {JUL}, pages = {024102}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Fock space multireference coupled-cluster (FSMRCC) method emerged as an efficient tool to describe the electronic structure of nearly degenerate cases. Development of linear response has been one of the challenging problems in FSMRCC due to the multiple-root nature of the effective Hamiltonian. A response from any of the roots would span the space for getting the properties. Hence, all roots perturbed by the external field would proliferate the excited states. We recently developed the FSMRCC method for the efficient evaluation of analytic response properties using a constrained variation approach. In this paper, we present analytic dipole moments and polarizabilities of H2O, O-3, and CH+ molecules in low-lying excited states along with brief discussion of singlet triplet decoupling of (1,1) sector of FSMRCC resulting from spin adaptation. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3167796]
}, issn = {0021-9606}, doi = {10.1063/1.3167796}, author = {Bag, Arijit and Manohar, Prashant Uday and Vaval, Nayana and Pal, Sourav} } @article { ISI:000271841900023, title = {First asymmetric total synthesis of aspinolide A}, journal = {Tetrahedron Letters}, volume = {50}, number = {50}, year = {2009}, month = {DEC}, pages = {7018-7020}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The first total synthesis of aspinolide A has been achieved using ring-closing metathesis as a key step. The stereogenic centers were generated by means of hydrolytic kinetic resolution (HKR) of racemic epoxides. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Decanolides, epoxides, Hydrolytic kinetic resolution, Ring-closing metathesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.09.151}, author = {Chowdhury, Partha Sarathi and Gupta, Priti and Kumar, Pradeep} } @article { ISI:000265958900008, title = {First ionic liquid-promoted Kabbe condensation reaction for an expeditious synthesis of privileged bis-spirochromanone scaffolds}, journal = {Tetrahedron Letters}, volume = {50}, number = {22}, year = {2009}, month = {JUN}, pages = {2643-2648}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A variety of privileged bis-spirochromanones were synthesized for the First time from 4,6-diacetyl resorcinol in one-pot by carrying out the Kabbe condensation in loom temperature ionic liquid [bbim]Br. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Bis-spirochromanone, Ionic liquid, Kabbe condensation, Morpholine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.03.104}, author = {Muthukrishnan, Murugan and Basavanag, U. M. V. and Puranik, Vedavati G.} } @article { ISI:000272174500004, title = {Fluorescence study on interactions of alpha-crystallin with the molten globule state of 1, 4-beta-D-glucan glucanohydrolase from thermomonospora sp induced by guanidine hydrochloride}, journal = {Journal of Fluorescence}, volume = {19}, number = {6}, year = {2009}, month = {NOV}, pages = {967-973}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
In this paper, the interaction between alpha- crystallin and molten globule structure of 1,4-beta-D-Glucan Glucohydrolase (TSC) from an alkalothermophilic Thermomonospora sp. was investigated mainly by fluorescence quenching spectra, circular dichroism and three dimensional fluorescence spectra under simulative physiological conditions. Denaturation studies using GdnCl indicated that TSC folds through a partially folded state that resembles molten globule at 1.8 M GdnCl. The chaperone activity of alpha- crystallin was employed to study refolding of TSC. Here we studied the refolding of GdnCl denatured TSC from its molten globule state (TSC-m complex) in the presence and absence of alpha-crystallin to elucidate the molecular mechanism of chaperone-mediated in vitro folding. Our results, based on intrinsic tryptophan fluorescence and ANS binding studies, suggest that alpha-crystallin formed a complex with a putative intermediate molten globule - like intermediate in the refolding pathway of TSC. Reconstitution of the active TSC was observed on cooling the alpha-crystallin aEuro cent TSC -m complex to 4A degrees C. Addition of alpha-crystallin to the molten globule - like intermediate of TSC (TSC-m complex) complex initiated the refolding of TSC with 69 \% recovery of the biological activity of the enzyme.
}, keywords = {ANS, Cellulase, Guanidine hydrochloride, Protein folding}, issn = {1053-0509}, doi = {10.1007/s10895-009-0496-5}, author = {Jagtap, Sharmili and Rao, Mala} } @article { ISI:000266693600010, title = {Formal synthesis of (-) anisomycin via organocatalysis}, journal = {Arkivoc}, year = {2009}, month = {JAN}, pages = {88-94}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
An efficient formal synthesis of (-) anisomycin (1), a potent antibiotic agent, has been achieved in good yields and excellent diastereoselectivity. The key steps are proline-catalyzed sequential alpha-amination or alpha-aminoxylation of aldehyde 2 followed by tandem Horner-Wadsworth-Emmons olefination.
}, keywords = {alpha-Amination, alpha-aminoxylation, anisomycin, olefination, Proline}, issn = {1424-6376}, author = {Chouthaiwale, Pandurang V. and Kotkar, Shriram P. and Sudalai, Arumugam} } @article { ISI:000263152800005, title = {Formal synthesis of (+)-didemniserinolipid B employing a Pd-mediated 6-endo selective alkynediol cycloisomerization}, journal = {Tetrahedron Letters}, volume = {50}, number = {3}, year = {2009}, month = {JAN}, pages = {271-273}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Herein, we describe a concise assembly of central 6,8-dioxabicyclo[3,2,1]octane core of didemniserino-lipid by employing a Pd-mediated alkynediol cycloisomerization and a formal total synthesis of didemniserinolipid (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Alkynol cycloisomerization, Bridged bicyclic ketal, Didemniserinolipid, Yamaguchi oxirane alkyne coupling, Zipper reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.10.137}, author = {Ramana, C. V. and Induvadana, Boddeti} } @article { ISI:000269988600011, title = {Fullerenol-cytotoxic conjugates for cancer chemotherapy}, journal = {ACS Nano}, volume = {3}, number = {9}, year = {2009}, month = {SEP}, pages = {2505-2514}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In the present study, we report the novel application of polyhydroxylated fullerenes (fullerenols) in cancer drug delivery. The facile synthetic procedure for generating multiple hydroxyl groups on the fullerene cage offers scope for high drug loading in addition to conferring hydrophilicity. Doxorubicin, a first line cancer chemotherapeutic, was conjugated to fullerenols through a carbamate linker, achieving ultrahigh loading efficiency. The drug-fullerenol conjugate was found to be relatively stable in phosphate buffer saline but temporally released the active drug when incubated with tumor cell lysate. The fullerenol-doxorubicin conjugate suppressed the proliferation of cancer cell-lines in vitro through a G2-M cell cycle block, resulting in apoptosis. Furthermore, in an in vivo murine tumor model, fullerenol-doxorubicin exhibited Comparable antitumor efficacy as free drug without the systemic toxicity of free doxorubicin. Additionally, we demonstrate that the fullerenol platform can be extended to other chemotherapeutic agents, such as the slightly water-soluble cisplatin, and can emerge as a new paradigm in the management of cancer.
}, keywords = {chemotherapy, doxorubicin, drug delivery, fullerenol, nanoparticle}, issn = {1936-0851}, doi = {10.1021/nn900318y}, author = {Chaudhuri, Padmaparna and Paraskar, Abhimanyu and Soni, Shivani and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article {42757, title = {Functional delivery of siRNA in mice using dendriworms}, journal = {ACS Nano}, volume = {3}, year = {2009}, month = {SEP}, pages = {2495-2504}, doi = {10.1021/nn900201e}, author = {Agrawal, Amit C. and Min, Dal-Hee and Singh, Neetu and Zhu, Haihao and Birjiniuk, Alona and von Maltzahn, Geoffrey and Harris, Todd J. and Xing, Deyin and Woolfenden, Stephen D. and Sharp, Phillip A. and Charest, Alain and Bhatia, Sangeeta N.} } @article { ISI:000273709600061, title = {Gas sensing properties of magnesium ferrite prepared by co-precipitation method}, journal = {Journal of Alloys and Compounds}, volume = {488}, number = {1}, year = {2009}, month = {NOV}, pages = {270-272}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Polycrystalline magnesium ferrite (MgFe(2)O(4)) was prepared by the co-precipitation method. The synthesized compound was characterized for their phase and morphology by X-ray diffraction and scanning electron microscopy, respectively. Conductance responses of the (MgFe(2)O(4)) were measured towards gases like hydrogen sulfide (H(2)S), liquefied petroleum gas (LPG), ethanol vapors (C(2)H(5)OH), SO(x), H(2), NO(x), NH(3), methanol, acetone and petrol. The gas sensing characterstics were obtained by measuring the sensitivity as a function of various controlling factors like operating temperatures and concentrations of gases. It was found that the sensor exhibited various responses towards these gases at different operating temperatures. Furthermore; the MgFe(2)O(4) based sensor exhibited a fast response and a good recovery towards petrol at temperature 250 degrees C. The results of the response towards petrol reveal that (MgFe(2)O(4)) synthesized by a simple co-precipitation method, would be a suitable material for the fabrication of the petrol sensor. (C) 2009 Published by Elsevier B.V.
}, keywords = {Ferrites, Gas sensor, X-ray diffraction and scanning electron microscopy}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.08.103}, author = {Hankare, P. P. and Jadhav, S. D. and Sankpal, U. B. and Patil, R. P. and Sasikala, R. and Mulla, Imtiaz S.} } @article { ISI:000264471400009, title = {General approach to medium-sized ring ethers via hydrolytic and oxidative kinetic resolutions: stereoselective syntheses of (-)-cis-lauthisan and (+)-isolaurepan}, journal = {Tetrahedron}, volume = {65}, number = {11}, year = {2009}, month = {MAR}, pages = {2226-2231}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short and enantioselective approach to medium ring ethers and its application to the syntheses of (-)-cis-lauthisan and (+)-isolaurepan are described. The synthetic strategy features Jacobson{\textquoteright}s Hydrolytic Kinetic Resolution (HKR), oxidative resolution of secondary alcohol, and highly diastereoselective Et(3)SiH/TMSOTf-promoted reductive cyclization of a hydroxy ketone to give exclusively the different medium-sized cis-disubstituted cyclic ethers. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {cis-Reductive cyclization, Jacobson{\textquoteright}s Hydrolytic Kinetic Resolution (HKR), Oxepanes, Oxidative resolution of secondary alcohol, Ring ether}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.01.062}, author = {Tripathi, Divya and Pandey, Satyendra Kumar and Kumar, Pradeep} } @article { ISI:000265515400019, title = {Green and sustainable approach to BIS-(INDOLYL) alkanes}, journal = {Indian Journal of Heterocyclic Chemistry}, volume = {18}, number = {3}, year = {2009}, month = {JAN}, pages = {279-282}, publisher = {DR R S VARMA}, address = {C-85 SECTOR-B, ALIGANJ SCHEME, LUCKNOW, INDIA 226020 USA}, abstract = {
An efficient, high yielding, green and mild method has been developed for the synthesis of bis (indolyl) methanes using dodecylsulphonic acid as an effective surfactant type Bronsted acid catalyst in aq media. The method is excellent for various new bis-(indolyl) methanes derived from pyrazolaldehydes.
}, issn = {0971-1627}, author = {Gholap, Somnath S. and Wakchaure, Prasad B. and Pandhare, Gajanan R. and Gill, Charansingh H.} } @article { ISI:000262974500006, title = {Growth of barium oxalate crystals in agar-agar gel and their characterization}, journal = {Crystal Research and Technology}, volume = {44}, number = {1}, year = {2009}, month = {JAN}, pages = {36-42}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
{Single crystals of barium oxalate have been grown by get method using agar-agar gel as media of growth at ambient temperature. The optimum conditions were established by varying various parameters such as concentration of gel, concentration of reactant, gel setting time etc. Prismatic platy shaped transparent crystals were obtained. The grown crystals were characterized through powder X-ray diffraction (XRD), Fourier transform infrared (FT-IR) studies, Thermogravimetric (TGA) and Differential thermal analysis (DTA). The compound crystallizes under monoclinic structure with lattice parameters a = 6.6562 angstrom
}, keywords = {barium oxalate, Crystal growth, FT-IR, TGA/DTA, XRD}, issn = {0232-1300}, doi = {10.1002/crat.200800221}, author = {Dalai, P. V. and Saraf, K. B. and Shah, S.} } @article { ISI:000272376800026, title = {H(2)S gas sensitive indium-doped ZnO thin films: preparation and characterization}, journal = {Sensors and Actuators B-Chemical}, volume = {143}, number = {1}, year = {2009}, month = {DEC}, pages = {164-170}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
High quality indium-doped ZnO (IZO) thin films (similar to 100 nm) have been deposited onto the glass substrates by using a conventional spray pyrolysis technique. Precursors such as zinc acetate, indium chloride with Brij-35 (polyoxyethylene lauryl ether) as a non-ionic surfactant were used. The morphology, crystal structure, elemental analysis and the gas response properties were investigated by using SEM, TEM, XRD, AFM and XPS techniques. The films show hexagonal wurtzite structure which reveal variations in (100). (00 2) and (10 1) intensities with indium doping. The crystallite size calculated by Scherrer formula was in the range of 30-50 nm. The SEM and AFM analysis show 50-70 nm sized grains, while the TEM confirms formation of grains by similar to 10nm sized particles. Their response towards various gases was measured at different operating temperatures and different levels of In-dopants. The 3 at\% In-doped ZnO showed response as high as 13,000 for 1000ppm H(2)S at 250 degrees C. It exhibited fast response (similar to 2s) and recovery time (similar to 4 min). The gas response strongly depends on the morphology and indium concentration. The high gas response of IZO is explained on the basis of thickness dependent trap state density. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Hydrogen sulfide sensor, Indium oxide, Spray pyrolysis, thin film, Zinc oxide}, issn = {0925-4005}, doi = {10.1016/j.snb.2009.08.056}, author = {Badadhe, Satish S. and Mulla, Imtiaz S.} } @article { ISI:000271103500011, title = {Heterogeneous cobalt-saponite catalyst for liquid phase air oxidation of p-cresol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9423-9427}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Heterogeneous Co-saponite was found to be an efficient catalyst for the liquid phase oxidation of p-cresol under mild conditions. Divalent cobalt tons were found to be in both the tetrahedral and octahedral positions of the saponite clay. Studies on the effect of reaction parameters showed that the rate of reaction increased with increase in Co loading from 5 to 13\% and then remained constant up to 30\% of Co loading, while the rate of oxidation showed a first-order dependence on the partial pressure of oxygen up to 300 kPa. Results of oxidation experiments over Co-saponite, in an Inert atmosphere, and the XPS studies Suggest Mars-van Krevelen pathway operating, which involves lattice oxygen of Co-saponite in the liquid phase oxidation of p-cresol.
}, issn = {0888-5885}, doi = {10.1021/ie801941e}, author = {Kshirsagar, Vikas S. and Garade, Ajit C. and Patil, Kashinath R. and Jha, Ratnesh Kumar and Rode, Chandrashekhar V.} } @article { ISI:000269877500009, title = {High energy electron irradiation effects on polystyrene films}, journal = {Radiation Effects and Defects in Solids}, volume = {164}, number = {10}, year = {2009}, month = {SEP}, pages = {PII 914466497}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
The effect of an 8MeV electron-beam on the structural, optical and dielectric properties of polystyrene films has been investigated respectively by means of Fourier transform infrared (FTIR) spectroscopy, ultraviolet-visible (UV-VIS) spectroscopy and electrical impedance (LCR) analysis over a radiation dose in the range of 50-250kGy using a Microtron accelerator. The FTIR spectral analysis shows no change in the overall structure of the irradiated polystyrene films, except a minor change in the intensity of a few peaks in the FTIR spectrum, indicating that polystyrene is resistant to electron-beam irradiation over the range of radiation doses investigated. The optical band gap analysis using the UV-VIS absorption spectra of the polystyrene shows a small decrease in the optical band gap (Eg) and the activation energy with an increase in electron doses. Further, the dielectric measurements over a frequency range of 100Hz to 1MHz for the electron-beam-irradiated polystyrene films show that both the dielectric constant and the dielectric loss increase with an increase in electron radiation dose, which may be ascribed to the formation of defect sites in the band gap of polystyrene as a consequence of molecular chain scission in the polymer films upon irradiation.
}, keywords = {electrons, optical spectroscopy, Polymers, radiation}, issn = {1042-0150}, doi = {10.1080/10420150903173262}, author = {Mathad, R. D. and Kumar, H. G. Harish and Sannakki, B. and Ganesh, S. and Sarma, K. S. S. and Badiger, Manohar V.} } @article { ISI:000269337500015, title = {Highly diastereoselective 1,3-dipolar cycloaddition of a D-galactose-derived nitrone with dimethyl maleate: synthesis of polyhydroxylated perhydroazaazulenes}, journal = {Synlett}, number = {12}, year = {2009}, month = {JUL}, pages = {1959-1963}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
An intermolecular 1,3-dipolar cycloaddition of a D-galactose-derived nitrone with dimethyl maleate was found to be perfectly diastereoselective at the nitrone carbon to give exclusive formation of isoxazolidine. The N-O bond reductive cleavage in isoxazolidine followed by lactam reduction afforded a pyrrolidine ring skeleton with sugar appendage that on acetonide cleavage and reductive amino-cyclization gave hitherto unknown hydroxymethyl-substituted hexa- and pentahydroxy perhydroazaazulenes.
}, keywords = {1, 3-dipolar nitrone olefin cycloaddition (DNOC), diastereoselectivity, Iminosugars, inhibitors, nitrone}, issn = {0936-5214}, doi = {10.1055/s-0029-1217541}, author = {Bande, Omprakash P. and Jadhav, Vrushali H. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000268131400009, title = {Highly efficient recyclable hydrated-clay supported catalytic system for atom transfer radical polymerization}, journal = {Chemical Communications}, number = {30}, year = {2009}, month = {JUN}, pages = {4518-4520}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Atom transfer radical polymerization of methacrylates has been performed using hydrated natural clay as a support for a CuBr(2)-ligand complex and the supported clay catalyst has been recycled for 21 batch polymerizations without losing its activity.
}, issn = {1359-7345}, doi = {10.1039/b908118f}, author = {Munirasu, Selvaraj and Aggarwal, Ravi and Baskaran, Durairaj} } @article { ISI:000263319900006, title = {Highly stereoselective approach toward the synthesis of the macrolactone core of amphidinolide W}, journal = {Tetrahedron Letters}, volume = {50}, number = {7}, year = {2009}, month = {FEB}, pages = {755-758}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The diastereoselective synthesis of the macrolactone core of amphidinolide W was successfully accomplished using Evans{\textquoteright} asymmetric alkylation, Aldol reaction, Julia-Kocienski olefination, and Kita{\textquoteright}s macrocyclization protocol. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Amphidinolide W, Evans aldol, Evans alkylation, Julia-Kocienski olefination, Kita{\textquoteright}s macrocyclization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.11.088}, author = {Mohapatra, Debendra K. and Chatterjee, Bhaskar and Gurjar, Mukund K.} } @article {43365, title = {Human blood vessel-derived endothelial progenitors for endothelialization of small diameter vascular prosthesis}, journal = {Plos One}, volume = {4}, year = {2009}, month = {NOV}, pages = {Article Number: e7718}, abstract = {Background: Coronary bypass graft failure as a result of acute thrombosis and intimal hyperplasia has been the major challenge in surgical procedures involving small-diameter vascular prosthesis. Coating synthetic grafts with patients{\textquoteright} own endothelial cells has been suggested to improve the patency rate and overall success of bypass surgeries. Methodology/Principal Findings: We isolated endothelial progenitor cells (EPCs) from leftover pieces of human saphenous vein/mammary artery. We demonstrate that EPCs can be expanded to generate millions of cells under low-density culture conditions. Exposure to high-density conditions induces differentiation to endothelial cell phenotype. EPC-derived endothelial cells show expression of CD144(high), CD31, and vWF. We then assessed the ability of differentiated endothelial cells to adhere and grow on small diameter expanded polytetrafluoroethylene (ePTFE) tubings. Since ePTFE tubings are highly hydrophobic, we optimized protocols to introduce hydrophilic groups on luminal surface of ePTFE tubings. We demonstrate here a stepwise protocol that involves introduction of hydrophilic moieties and coating with defined ECM components that support adhesion of endothelial cells, but not of blood platelets. Conclusion/Significance: Our data confirms that endothelial progenitors obtained from adult human blood vessels can be expanded in vitro under xenoprotein-free conditions, for potential use in endothelialization of small diameter ePTFE grafts. These endothelialized grafts may represent a promising treatment strategy for improving the clinical outcome of small-caliber vascular grafts in cardiac bypass surgeries.}, doi = {10.1371/journal.pone.0007718}, author = {Ranjan, Amaresh K. and Kumar, Umesh and Hardikar, Ashutosh A. and Poddar, Pankaj and Nair, Prabha D. and Hardikar, Anandwardhan A.} } @article {42582, title = {Hybrid core-shell nanoparticles: photoinduced electron-transfer for charge separation and solar cell application}, journal = {Chemistry of Materials}, volume = {21}, year = {2009}, month = {OCT}, pages = {5292{\textendash}5299}, abstract = {
We report growth and formation of hybrid core-shell nanoparticle systems, where photoinduced electron-transfer takes place from the II-VI semiconducting core to an organic shell. With the hybrid core-shell nanoparticles, we fabricate devices so that the photoinduced electron-transfer can finally yield photocurrent and result photovoltaic solar cells. Formation of an organic shell-layer on CdSe nanoparticles is supported by electronic absorption spectroscopy. Electron-transfer from the nanoparticle in the core to a number of organic molecules in the shell is established from quenching of photoluminescence intensity of CdSe nanoparticles as well as from a change in the lifetime of photoluminescence emission. Devices based on the hybrid core-shell nanoparticles in a suitable hole-transporting layer with two dissimilar metal electrodes show efficient photovoltaic performance. Here, following the electron-transfer, electrons flow through the organic molecules and holes, left in the nanoparticles, move through the hole-transporting polymer to the opposite electrodes to yield photovoltaic short-circuit current. The role of CdSe nanoparticles in light-harvesting and charge-generation has been substantiated by control experiments with ZnS nanoparticles in the core. In ZnS-based hybrid core-shell systems, photovoltaic performance is low since photoinduced electron-transfer does not occur from ZnS to the dye.
}, doi = {10.1021/cm902404s}, author = {Guchhait, Asim and Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000267625000020, title = {Hydroesterification of 2-vinyl-6-methoxynaphthalene using palladium complexes containing chelating nitrogen ligands}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {307}, number = {1-2}, year = {2009}, month = {JUL}, pages = {134-141}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Hydroesterification of 2-vinyl-6-methoxynaphthalene (VMN) to methyl ester of 6-methoxy naphthyl propionic acid (ester of naproxen) has been investigated using palladium complexes containing the chelating N(boolean AND)O and N(boolean AND)N ligands (pyridine-2-carboxylate, 2-acetylpyridine, 2-pyridine-carboxaldehyde, and bipyridine) as catalysts. Palladium complex containing 2-acetylpyridine as the ligand was found to be superior to other Pd-complexes. Both acid and halide promoters were necessary for high activity and selectivity. As an acid promoter, benzenesulfonic acid was found to be more effective compared to p-toluenesulfonic acid. Formation of ether 2-methoxy-6-(1-methoxyethyl)naphthalene and a polymer of VMN was observed in all the reactions. It was observed that active catalytic species generated during carbonylation reaction was responsible for the polymer formation. The effect of various parameters such as solvents, CO pressure, and alcohols on the catalytic activity as well as the selectivity was investigated. The turnover frequency using the complex Pd(acpy)(PPh(3))(OTs)(2) (acpy = 2-acetylpyridine) catalyst was found to be 42 h(-1), which is the highest for the hydroesterification of VMN. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Carbonylation, Hydroesterification, Naproxen, Palladium complex, Polymer of VMN, Promoters}, issn = {1381-1169}, doi = {10.1016/j.molcata.2009.03.021}, author = {Atla, Shashi B. and Kelkar, Ashutosh A. and Chaudhari, Raghunath V.} } @article { ISI:000271103500017, title = {Hydroformylation of 1,4-diacetoxy-2-butene using HRh(CO)(PPh3)(3) tethered on alumina as a catalyst: kinetic study}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9479-9489}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Hydroformylation of 1,4-diacetoxy-2-butene (DAB) was studied using [HRh(CO)(PPh3)(3)] complex catalyst tethered on alumina using phosphotungstic acid (PTA) as an anchoring agent, with the aim to understand the product distribution, selectivity, and intrinsic kinetics. It was observed that with the tethered heterogeneous catalyst a simultaneous hydroformylation followed by deacetoxylation steps was possible, which is relevant for combining two steps in the sequence of synthesis of vitamin-A intermediate [2-formyl-4-acetoxy butene (FAB)]. P-31 cross-polarization magic angle spinning nuclear magnetic resonance (CP MAS NMR) and infrared (IR) instrumental techniques were found be the most effective techniques to establish the catalyst structure and true heterogeneity. On the basis of the spectroscopic evidence, we postulate the loss of a PPh3 group during tethering to give HRh(CO)(PPh3)(2)-PTA-Al2O3 as a heterogeneous complex catalyst. Experimental data on the concentration-time and CO/H-2 consumption-time profiles were obtained and the effects of DAB concentration, CO partial pressure, H-2 partial pressure, and catalyst loading were studied in a 50 mL stirred batch reactor over a temperature range of 338-358 K. The analysis of solid-liquid-gas mass transfer effects was investigated to ensure that the reaction was operating in the kinetic regime Various models were developed, and the best model was chosen by a model discrimination procedure. The agreement between the model prediction and the experimental data was found to be excellent. The activation energies for the hydroformylation and deacetoxylation steps were found to be 42.5 and 80.2 kJ/mol.
}, issn = {0888-5885}, doi = {10.1021/ie900269z}, author = {Chansarkar, Rashmi and Kelkar, Ashutosh A. and Chaudhari, Raghunath V.} } @article { ISI:000270147700079, title = {Hydrolysis of cellulose derived from steam exploded bagasse by penicillium cellulases: comparison with commercial cellulase}, journal = {Bioresource Technology}, volume = {100}, number = {24}, year = {2009}, month = {DEC}, pages = {6679-6681}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A complete cellulase from Penicillium pinophilum was evaluated for the hydrolysis of a-cellulose derived from steam exploded sugarcane bagasse and other cellulosic substrates. alpha-Cellulose at 1\% substrate concentration was completely hydrolyzed by Penicillium cellulase within 3 h wherein at 10\% the hydrolysis was 100\% within 24 h with an enzyme loading of 10 FPU/g. The hydrolysate yielded glucose as major end product as analyzed by HPLC. Under similar conditions, hydrolysis of Sigmacell (microcrystalline cellulose), CP-123 (pulverized cellulose powder) and ball milled Solka Floc were 42\%, 56\% and 52\%, respectively. Further the hydrolysis performance of Penicillium sp. cellulase is compared with Trichoderma reesei cellulase (Accellerase (TM) 1000) from Genencore. The kinetics of hydrolysis with respect to enzyme and substrate concentration will be presented. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Accellerase (TM) 1000, Enzymatic hydrolysis, High beta-glucosidase, Penicillium cellulase, Sugarcane bagasse}, issn = {0960-8524}, doi = {10.1016/j.biortech.2009.07.060}, author = {Singh, Rajkumar and Varma, Anjanikumar and Laxman, Ryali Seeta and Rao, Mala} } @article { ISI:000267168600002, title = {Hydrolytic kinetic resolution as an emerging tool in the synthesis of bioactive molecules}, journal = {Synlett}, number = {9}, year = {2009}, month = {JUN}, pages = {1367-1382}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A variety of racemic epoxides mainly derived from terminal olefins, such as aliphatic epoxides, multifuncitonalized epoxides and amine-substituted epoxides, have been successfully resolved into the enantiomerically pure epoxides and diols using Jacobsen{\textquoteright}s hydrolytic kinetic resolution (HKR) method. The chiral epoxides thus prepared were further elaborated by synthetic manipulation to provide a variety Of Compounds of biological interest. A general synthetic strategy for the construction Of S synlanti-1,3-polyol systems using iterative HKR has been developed, which was subsequently utilized in the synthesis of natural products with a broad range of biological activity. The protocol for the 1,3-polyols was also further extended to the synthesis of 1,3-amino alcohols.
}, keywords = {Biological activity, Hydrolytic kinetic resolution, Natural products, synthesis, terminal epoxides}, issn = {0936-5214}, doi = {10.1055/s-0029-1217171}, author = {Kumar, Pradeep and Gupta, Priti} } @article {42730, title = {Hydrophosphonylation of activated alkenes and alkynes via fluoride ion activation in ionic liquid medium}, journal = {Tetrahedron}, volume = {65}, year = {2009}, month = {JUL}, pages = {7603{\textendash}7610}, abstract = {
A simple transition metal-free hydro/hydrothiophosphonylation of Baylis{\textendash}Hillman adducts, substituted allyl bromides, allenylphosphonates and alkynes, promoted by fluoride ion in ionic liquid, is described. Clear-cut evidence for fluoride activation of the phosphite via pentacoordinate phosphorus is provided for the first time. Also, in a comparative reaction, the product obtained was different from that from the palladium catalyzed one. Structures of key products are proven by X-ray crystallography.
}, doi = {10.1016/j.tet.2009.06.096}, author = {Balaraman, Ekambaram and Srinivas, Venu and Swamy, K. C. Kumara} } @article { ISI:000266197300018, title = {Hypocholesteremic effect of bile salt hydrolase from Lactobacillus buchneri ATCC 4005}, journal = {Food Research International}, volume = {42}, number = {4}, year = {2009}, note = {International Congress on Bioprocesses in Food Industries, Hyderabad, INDIA, NOV 06-08, 2008}, month = {MAY}, pages = {516-520}, publisher = {ICBF Forum; Biotech Res Soc India}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The effect of oral administration of the immobilized bile salt hydrolase enzyme on serum cholesterol. triglyceride, high density lipoprotein levels and its application in the therapeutic treatment of hypercholesteremia was assessed. Culture conditions were optimized for the production of bile salt hydrolase, which resulted in 2.9-fold enhancement in activity. Bile salt hydrolase (BSH; E.C.3.5.1.24) was isolated from Lactobacillus buchneri ATCC 4005 and immobilized in 0.5\% gellan gum gel. The immobilized enzyme was orally delivered in wistar rats, induced with hypercholesteremia by triton X-100. The serum cholesterol and triglycerides were reduced by 50\% and 15\%, respectively, in the group fed with immobilized enzyme 10 IU/kg dose whereas administration of 20 IU/kg immobilized enzyme resulted in reduction of serum cholesterol by 58\% and triglycerides by 45\%, respectively. The results indicate that bile salt hydrolase has potential cholesterol lowering property and oral administration of the immobilized enzyme is an alternative pharmacological approach to reduce serum cholesterol levels. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Bile salt hydrolase, Gellan gum, Hypocholesteremic effect, Lactobacillus buchneri, Wistar Rats}, issn = {0963-9969}, doi = {10.1016/j.foodres.2009.02.016}, author = {Sridevi, N. and Vishwe, Pradnya and Prabhune, Asmita} } @article { ISI:000278806800025, title = {Identification of defensins employing recurrence quantification analysis and random forest classifiers}, journal = {Pattern Recognition and Machine Intelligence, Proceedings}, volume = {5909}, year = {2009}, note = {3rd International Conference on Pattern Recognition and Machine Intelligence, IIT Delhi, New Delhi, INDIA, DEC 16-20, 2009}, month = {DEC}, pages = {152-157}, publisher = {ISI Kolkata}, address = {HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY}, abstract = {
Defensins represent a class of antimicrobial peptides synthesized in the body acting against various microbes. In this paper we study defensins using a non-linear signal analysis method Recurrence Quantication Analysis (RQA). We used the descriptors calculated employing RQA for the classification of defensins with Random Forest Classifier. The RQA descriptors were able to capture patterns peculiar to defensins leading to an accuracy rate of 78.12\% using 10-fold cross validation.
}, isbn = {978-3-642-11163-1}, issn = {0302-9743}, author = {Karnik, Shreyas and Prasad, Ajay and Diwevedi, Alok and Sundararajan, V. and Jayaraman, Valadi K.}, editor = {Chaudhury, S. and Mitra, S. and Murthy, C. A. and Sastry, P. S. and Pal, S. K.} } @article { ISI:000267914600004, title = {Identification of Indian pathogenic races of fusarium oxysporum f. sp ciceris with gene specific, ITS and random markers}, journal = {Mycologia}, volume = {101}, number = {4}, year = {2009}, month = {AUG}, pages = {484-495}, publisher = {ALLEN PRESS INC}, address = {810 E 10TH ST, LAWRENCE, KS 66044 USA}, abstract = {
In this study we demonstrate the synergistic use of gene-specific markers, ITS-RFLP, ISSR and AFLP for distinguishing Indian F. oxysporum f. sp. ciceris races. We also report for the first time that F. oxysporum f. sp. ciceris race 3, a wilt pathogen of chickpea in India, is actually E proliferatum based on phylogenetic analysis with EF-1 alpha sequence data. E oxysporum f. sp. ciceris races 1, 2 and 4 were easily distinguished from {\textquoteleft}{\textquoteleft}race 3{\textquoteright}{\textquoteright} (F. proliferatum) by PCR amplification with oligonucleotides designed from conserved regions of Hop78 transposon (Hop 78), cutinase (Cut), desaturase (Dst). F oxysporum f. sp. ciceris race 4 was distinguished with the xylanase 3 (xyl3) gene by absence of amplification product only in this race. The Xyl3 amplified-DNA fragment isolated and sequenced from E oxysporum f. sp. ciceris race I was similar to the F-xylanase (Xyl3) gene of E oxysporum f. sp. lycopersici. A TELD motif, which is characteristic of the F-xylanases family, was detected within the deduced amino acid sequence of F. oxysporum f. sp. ciceris. Similarly the F oxysporum f. sp. ciceris Hop78 DNA fragment, which identified {\textquoteleft}{\textquoteleft}race 3{\textquoteright}{\textquoteright} (E proliferatum), was homologous to the Hop78 transposon of E oxysporum f. sp. melonis, including the 100 amino acid conserved domain and the characteristic CCHC motif. The internal transcribed spacer region-restriction fragment length polymorphism (ITS-RFLP) approach along with intersimple sequence repeat (ISSR) method also differentiated {\textquoteleft}{\textquoteleft}race 3{\textquoteright}{\textquoteright} (F. proliferatum). Races 1 and 2 were identified by unique AFLP patterns. Sequence characterization of race-specific AFLP products revealed significant homologies of these sequences with metabolically important genes.
}, keywords = {AFLP, F. oxysporum f. sp ciceris races, gene specific amplification, ISSR, ITS-RFLP, race delineation, sequence characterization, translation elongation factor (EF-1 alpha)}, issn = {0027-5514}, doi = {10.3852/08-085}, author = {Gurjar, Gayatri and Barve, Maneesha and Giri, Ashok P. and Gupta, Vidya} } @article { ISI:000278806800024, title = {Identification of N-glycosylation sites with sequence and structural features employing random forests}, journal = {Pattern Recognition and Machine Intelligence, Proceedings}, volume = {5909}, year = {2009}, note = {3rd International Conference on Pattern Recognition and Machine Intelligence, IIT Delhi, New Delhi, INDIA, DEC 16-20, 2009}, month = {DEC}, pages = {146-151}, publisher = {ISI Kolkata}, address = {HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY}, abstract = {
N-Glycosylation plays a very important role in various processes like quality control of proteins produced in ER, transport of proteins and in disease control. The experimental elucidation of N-Glycosylation sites is expensive and laborious process. In this work we build models for identification of potential N-Glycosylation sites in proteins based on sequence and structural features. The best model has cross validation accuracy rate of 72.81\%.
}, isbn = {978-3-642-11163-1}, issn = {0302-9743}, author = {Karnik, Shreyas and Mitra, Joydeep and Singh, Arunima and Kulkarni, B. D. and Sundarajan, V. and Jayaraman, Valadi K.}, editor = {Chaudhury, S. and Mitra, S. and Murthy, C. A. and Sastry, P. S. and Pal, S. K.} } @article { ISI:000271982000020, title = {Imaging hydrogen oxidation activity of catalyst-coated perfluoro sulfonic acid-polymer electrolyte membranes using scanning electrochemical microscopy}, journal = {Journal of Chemical Sciences}, volume = {121}, number = {5}, year = {2009}, month = {SEP}, pages = {719-725}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Scanning Electrochemical Microscopy (SECM) is a unique technique for studying fast heterogeneous kinetics and to map reactivity gradients along the surface of an electrocatalyst, especially when it involves multiple surface sites of varying reactivity. It combines the dual advantages offered by ultramicroelectrode (UME) voltammetry in terms of reduced ohmic drop and insignificant double layer charging contribution with the advantages of imaging by rastering the UME across an electro-active surface. In this work, we demonstrate these distinctive features of SECM in evaluating reactivity gradients on catalyst (Pt/C) coated NafionA (R) films towards hydrogen oxidation activity, a reaction of immense technological relevance. Imaging has been performed in the feedback mode by allowing H(2) evolution at the tip (25 A mu m Pt UME), which is reoxidized at the substrate electrode containing Pt/C-Nafion film. Interesting distribution in H(2) oxidation activity has been observed as a function of potential applied to the Pt/C-Nafion film. In addition, a plot of normalized tip current versus the substrate electrode potential indicates the effect of potential-induced reactivity change in the catalyst-coated membranes. The results of the present investigation are believed to be useful to H(2)/O(2) PEM fuel cells with respect to evaluating reactivity gradients of catalyst-coated polymer electrolyte membranes, which is important to rectify problems related to catalyst utilization.
}, keywords = {hydrogen oxidation, Imaging, Nafion, platinum, SECM}, issn = {0253-4134}, doi = {10.1007/s12039-009-0086-8}, author = {Parthasarathy, Meera and Pillai, Vijayamohanan K.} } @article { ISI:000272560400015, title = {Immobilization of phosphotungstic acid (PTA) on imidazole functionalized silica: evidence for the nature of PTA binding by solid state NMR and reaction studies}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {50}, year = {2009}, month = {DEC}, pages = {21114-21122}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Phosphotungstic acid (PTA) immobilized onto imidazole functionalized fumed silica and was used its an efficient catalyst for epoxidation of a variety of olefins using aqueous H(2)O(2) as all oxidant. Negligible leaching of PTA under the reaction conditions employed indicates a strong interaction between PTA and imidazole The immobilized catalysts Could be separated and reused after the catalytic cycle Evidence for the heterogenization of PTA oil the imidazole functionalized fumed silica has been inferred from different spectroscopic techniques like IR, UV-vis, and NMR. Importantly, the nature of binding of PTA oil the support has been studied in detail by solid state NMR spectroscopy using (15)N labeled imidazole Support. It is clear from the NMR Studies that the effective heterogenization of PTA is mainly due to imidazolium ion Formation oil the support by the acidic protons of PTA and the resultant ion pair
}, issn = {1932-7447}, doi = {10.1021/jp906108e}, author = {Sofia, L. T. Aany and Krishnan, Asha and Sankar, M. and Raj, N. K. Kala and Manikandan, Palanichamy and Rajamohanan, P. R. and Ajithkumar, Thalasseril G.} } @article { ISI:000267478100001, title = {Immobilized invertase}, journal = {Biotechnology Advances}, volume = {27}, number = {4}, year = {2009}, month = {JUL}, pages = {311-322}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Invertase is a commercially important enzyme used for the hydrolysis of sucrose. The hydrolysis of sucrose yields an equimolar mixture of glucose and fructose, known as invert syrup, is widely used in food and beverage industries. This enzyme is also used for the manufacture of artificial honey, plasticizing agents used in cosmetics, pharmaceutical and paper industries as well as enzyme electrodes for the detection of sucrose. Immobilization of invertase and its biotechnological applications are reviewed. (c) 2009 Elsevier Inc. All rights reserved.
}, keywords = {Applications, Immobilization, Invert syrup, Saccharase}, issn = {0734-9750}, doi = {10.1016/j.biotechadv.2009.01.009}, author = {Kotwal, S. M. and Shankar, V.} } @article { ISI:000264092400030, title = {Impact of zinc substitution on the structural and magnetic properties of chemically derived nanosized manganese zinc mixed ferrites}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {321}, number = {8}, year = {2009}, month = {APR}, pages = {1092-1099}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Mn(1-x)Zn(x)Fe(2)O(4) nanoparticles (x = 0-1) were synthesized by wet chemical co-precipitation techniques. X-ray diffraction, transmission electron microscopy and high-resolution transmission electron microscopy were effectively utilized to investigate the different structural parameters. The elemental analysis was conducted using energy-dispersive spectrum and inductively coupled plasma analysis. The magnetic properties such as magnetization and coercivity were measured using vibrating sample magnetometer. The observed magnetization values of the nanoparticles were found to be lower compared to the bulk counterpart. The magnetization showed a gradual decrease with zinc substitution except for a small increase from x = 0.2 to 0.3. The Curie temperature was found to be enhanced in the case of ferrites in the nanoregime. The variation in lattice constant, reduced magnetization values, variation of magnetization with zinc substitution, the presence of a net magnetic moment for the zinc ferrite and the enhancement in Curie temperature in Mn(1-x)Zn(x)Fe(2)O(4) all provide evidence to the existence of a metastable cation distribution together with possible surface effects at the nanoregime. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Manganese zinc ferrite}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2008.10.031}, author = {Gopalan, E. Veena and Al-Omari, I. A. and Malini, K. A. and Joy, Pattayil Alias and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000263733200020, title = {In situ observation of antibiotic mediated concurrent growth of two distinct homogeneous populations of gold nanoparticles in solution phase}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {9}, year = {2009}, month = {MAR}, pages = {3478-3486}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report the observation of the unusual nucleation and growth kinetics of gold nanoparticles synthesized in the presence of the antibiotic cephalexin using in situ static and dynamic light scattering in conjunction with in situ UV-vis absorption measurements and transmission electron microscopy. Following a brief latency period, two well-separated populations of gold nanoparticles, with average sizes of 1-2 nm versus several tens of nanometer, respectively, nucleate simultaneously. For either size regime, the total number of particles increased rapidly, while their mean size and relative frequency remained essentially constant over a growth period of 5 h. With increasing temperature, the morphology of the larger nanoparticles became increasingly spherical, as indicated by the noticeable blue shift of the plasmon frequency for these particles. The detailed morphology for either particle population was confirmed with TEM. To our knowledge, this is the first observation of simultaneous growth of two distinct populations of crystalline nanoparticles in the solution phase. The coupled growth of two distinct populations of nuclei, their tight control of size but rapid increase in overall numbers present novel and intriguing facets of this antibiotic-mediated solution-growth of gold nanoparticles. The size evolution of the Mie-frequency exhibits a noticeable blue shift as the temperature increases, correlating with the roundness of the particle/bimodal distribution.
}, issn = {1932-7447}, doi = {10.1021/jp808205y}, author = {Jagannathan, Ramya and Parmar, Avanish Singh and Adyanthaya, Suguna D. and Prabhune, Asmita and Muschol, Martin and Poddar, Pankaj} } @article { ISI:000269598900010, title = {In situ synthesis of water dispersible bovine serum albumin capped gold and silver nanoparticles and their cytocompatibility studies}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {73}, number = {2}, year = {2009}, month = {OCT}, pages = {224-228}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple and convenient one step room temperature method is described for the synthesis of bovine serum albumin (BSA) capped gold and silver nanoparticles. BSA reduces silver ions to silver nanoparticles but does not directly reduce gold ions to gold nanoparticles at room temperature and varying pH conditions. However, when silver and gold ions are simultaneously added to BSA, silver ions get reduced to metallic silver first and these in turn reduce gold ions to gold nanoparticles through a galvanic exchange reaction. The so synthesized silver and gold nanoparticles are easily water dispersible and can withstand addition of salt even at high concentrations. It is shown that the capped protein retains its secondary structure and the helicity to a large extent on the nanoparticles surface and that the protein capping makes the nanoparticles cytocompatible. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Ag and Au nanoparticles, Bovine serum albumin, Cytocompatibility, Galvanic exchange reaction, Reductive synthesis}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2009.05.029}, author = {Murawala, Priyanka and Phadnis, S. M. and Bhonde, Ramesh R. and Bhagavatula L. V. Prasad} } @article { ISI:000271252400004, title = {Incorporation of tin in different types of pores in SBA-15: synthesis, characterization and catalytic activity}, journal = {Microporous and Mesoporous Materials}, volume = {126}, number = {3}, year = {2009}, month = {DEC}, pages = {234-244}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Mesoporous Sn-SBA-15 has been synthesized by three different methods Such as conventional hydrothermal route, using cocatalyst NH4F and in the presence of organosilane precursor. All the materials are thoroughly characterized by powder X-ray diffraction (XRD), SEM. TEM. N-2 sorption and surface area measurements, diffuse-reflectance UV-visible and FTIR spectroscopy. TG-DTA and elemental analysis through ICP. Nitrogen adsorption data, XRD patterns, and TEM observations Suggests that the textural properties are retained during the isomorphous substitution of silicon by tin. ICP chemical analysis indicates that tin can be substituted in the range of S-l/S-n = 69-162. UV-visible spectra of samples synthesized by the cocatalytic approach exhibit unique absorption band at 213 nm characteristics of tin atom substituted in the smaller pores (2-3 nm) located inside the walls of mesopores. Further, an additional band at 224 nm can be assigned to Sri atoms located in the distorted tetrahedral position along the primary mesopores. In contrary, only one absorption band centered at 224 nm is observed for all the samples synthesized by conventional hydrothermal as well as in the presence of organosilane precursor. F-19 NMR spectra confirmed (no signal) the absence of occluded F- ions in the samples made with NH4F. Observed high catalytic activity in Baeyer-Villiger oxidation and Meerwin-Pondorf-Verly reduction under the liquid-phase conditions suggest the incorporation of a portion of tin in the smaller pores for the Sn-SBA-15 materials synthesized through cocatalyst method. (C) 2009 Elsevier Inc. All rights reserved.
}, keywords = {Baeyer-Villiger oxidation, catalysis, Functionalization of mesopores, Meerwin-Pondorf-Verly reduction, Sn-SBA-15}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2009.05.038}, author = {Sasidharan, M. and Kiyozumi, Y. and Mal, N. K. and Paul, M. and Rajamohanan, P. R. and Bhaumik, Asim} } @article {42581, title = {Induce negative differential resistance in organic devices through a ferroelectric polymer}, journal = {Organic Electronics}, volume = {10}, year = {2009}, month = {JUN}, pages = {1116{\textendash}1119}, abstract = {
We report how ferroelectric materials induce negative differential resistance (NDR) in organic devices. Fluorescein, which exhibits semiconducting current{\textendash}voltage characteristics, shows NDR effect in a ferroelectric matrix. Here, we vary the concentration of fluorescein in the ferroelectric matrix to study its effect on NDR. We also show how the degree of polarization controls NDR. We infer that under a suitable bias, the ferroelectric polymer becomes polarized to facilitate electron-injection in the device followed by a double-reduction of fluorescein molecules. From the capacitance{\textendash}voltage measurements, we substantiate the role of polarization in inducing NDR effect in organic molecules.
}, doi = {10.1016/j.orgel.2009.05.027}, author = {Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000269470200028, title = {Influence of dopant ions on properties of conducting polypyrrole and its electrocatalytic activity towards methanol oxidation}, journal = {Synthetic Metals}, volume = {159}, number = {15-16}, year = {2009}, month = {AUG}, pages = {1682-1688}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The polypyrrole (PPy) films were deposited on vacuum metallized substrates by electro-oxidation of pyrrole monomer. These electrodes were then modified with a range of metal halides having different electronegativities. The modified polypyrrole electrodes were employed to investigate electrocatalytic activity towards methanol electrochemical oxidation by means of cyclic voltammetry in 0.1 M HClO(4) as supporting electrolyte. It was found that the electronegativity of the dopant ion incorporated in the PPy film governs the electrocatalytic activity towards methanol oxidation. Among different dopant anions used in the present work, the PPy doped with zirconium chloride gave the highest anodic current of 10 mA cm(-2) at the oxidation potential of methanol. Electrical property and the charge created due to doping in the polymers were measured using X-ray photoelectron spectroscopy (XPS) and Electron spin resonance spectroscopy (ESR). Electrocatalytic activity of the modified electrodes was correlated with various factors obtained from different polymer characterization experiments. The results were explained on the basis of the charge-transfer efficiency at the electrode I electrolyte interface, which was associated with the acceptor state created by the dopant in the semi-conducting polymer. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {charge transfer, electrocatalyst, ESR, Metal halide dopant, Methanol oxidation, polypyrrole, XPS}, issn = {0379-6779}, doi = {10.1016/j.synthmet.2009.05.007}, author = {Adhikari, Arindam and Radhakrishnan, S. and Patil, Rahul} } @article { ISI:000271713300024, title = {Influence of electronic factors on pd-mediated cycloisomerization: a systematic investigation of competitive 6-exo-dig versus 7-endo-dig cyclizations of sugar alkynols}, journal = {Tetrahedron}, volume = {65}, number = {47}, year = {2009}, month = {NOV}, pages = {9819-9832}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Pd-mediated cycloisomerization of 3-C-propargyl-ribo- and allofuranose derivatives was investigated in detail to understand the influence of electronic factors on the regioselectivity (6-exo- vs 7-endo) of alkynol cycloisomerization leading either to a six- or seven-membered ring. In general, the 6-exo-dig mode of cyclization is facile and is independent of electronic factors. With some of the alkynols, a regioselective (7-endo?) hydration of the alkyne unit was observed and this has been attributed to the participation of C(3)-OH. When the C(3)-OH was protected as its benzyl ether, cycloisomerization of these alkynols occurred exclusively in a 6-exo-dig mode resulting in the corresponding [3.2.1]-bicyclic ketals. Additional control experiments conducted were in support of the participation of C(3)-OH in regioselective alkyne hydration. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Alkynol cycloisomerization, Bridged bicyclic ketal, Palladium, Sonogashira coupling, Sugar alkynol}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.09.071}, author = {Ramana, C. V. and Induvadana, Boddeti and Srinivas, Burgula and Yadagiri, Kommagalla and Deshmukh, Madhusudhan N. and Gonnade, Rajesh G.} } @article { ISI:000267619700020, title = {Influence of hormones and medium components on expression of dipyranocoumarins in cell suspension cultures of calophyllum inophyllum L.}, journal = {Process Biochemistry}, volume = {44}, number = {8}, year = {2009}, month = {AUG}, pages = {916-922}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Cell suspension cultures were initiated separately from leaf and nodal/internodal calluses for the study of influence of hormones and medium components on biomass growth and expression of dipyranocoumarins. Highest 6.2 times biomass was enhanced in suspension cultures of nodal/internodal callus supplemented with threefold total sulphate. Picloram 8.28 mu M along with BAP 8.88 mu M enhanced 295.05 times inophyllum A in suspension cultures of leaf callus whereas IBA 14.70 mu M along with BAP 4.44 mu M in suspension cultures of leaf callus enhanced 1065 times inophyllum B. IBA 4.90 mu M alone in suspension cultures of nodal/internodal callus enhanced maximum 616 times inophyllum C. Only IBA 9.80 mu M in suspension cultures of leaf callus enhanced 23.22 times inophyllum P. Variation in nitrate and sulphate had maximum positive influence on expression of inophyllums A and C and vitamins had maximum positive influence on expression of inophyllums A, C and B. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Calophyllum inophyllum, dipyranocoumarins, Expression pattern, HPLC, Medium components, Suspension culture}, issn = {1359-5113}, doi = {10.1016/j.procbio.2009.03.005}, author = {Pawar, Kiran D. and Thengane, Shubhada Ratnakar} } @article { ISI:000270410800024, title = {Influence of process variables on growth of ZnO nanowires by cathodic electrodeposition on zinc substrate}, journal = {Thin Solid Films}, volume = {517}, number = {24}, year = {2009}, month = {OCT}, pages = {6605-6611}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Influence of the deposition duration and electrolyte concentration on the structural and morphological features of the ZnO thin films, grown by cathodic electrodeposition on zinc substrate followed by annealing in air at 400 degrees C, have been investigated. The surface morphology of the as-synthesized films shows two distinct features, presence of {\textquoteleft}2-dimensional nanosheets{\textquoteright} on the area near the electrolyte-air interface and {\textquoteleft}granular{\textquoteright} nanostructures, below the interface region. However, upon annealing, the formation of ZnO nanowires, possessing length of several microns and diameter less than 20 nm, on the entire substrate is observed. The X-ray and selected area electron diffraction patterns clearly confirm the polycrystalline nature of the ZnO nanowires. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Annealing, Electrodeposition, Nanowires, photoluminescence, scanning electron microscopy, transmission electron microscopy, Zinc oxide}, issn = {0040-6090}, doi = {10.1016/j.tsf.2009.04.046}, author = {Sheini, Farid Jamali and Mulla, Imtiaz S. and Joag, Dilip S. and More, Mahendra A.} } @article { ISI:000265833600006, title = {On the influence of spatial heterogeneity on an internal boundary layer at a short fetch}, journal = {Journal of Earth System Science}, volume = {118}, number = {1}, year = {2009}, month = {FEB}, pages = {61-70}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Surface layer meteorological data collected at a coastal site, at Vasco-Da-Gama (15A degrees 21{\textquoteright}N, 73A degrees 51{\textquoteright}E, 58.5m MSL) (13-18 July, 2002) with prevailing southwesterly surface winds are analyzed to study the characteristics of internal boundary layer at a short fetch using an instrumented tower (9 m). The spectral and turbulence characteristics of wind are compared with earlier measurements made at a comparatively homogeneous terrain and the standards available in literature. The study show the smaller eddies in the vertical velocity spectrum attains equilibrium with the underlying surface at a short fetch itself and follows spectral similarity. However, this is not followed by longitudinal and transverse velocity spectra under unstable as well as stable conditions.
}, keywords = {heterogeneity, IBL, sea-land interface, wind spectra}, issn = {0253-4126}, doi = {10.1007/s12040-009-0006-9}, author = {Murthy, B. S. and Latha, R. and Sukumaran, Cini and Shivaji, A. and Sivaramakrishnan, S.} } @article { ISI:000272134300006, title = {Interaction of alpha-mannosidase from aspergillus fischeri with glycosidase inhibitors, metal ions and group specific reagents}, journal = {Research Journal of Biotechnology}, volume = {4}, number = {4}, year = {2009}, month = {NOV}, pages = {39-48}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {
As an initial step towards using alpha-mannosidase as a target against anticancer drugs, inhibition studies of a model enzyme, class II alpha-mannosidase from Aspergillus fischeri in presence of polyhydroxy piperidine derived glycosidase inhibitors, metal ions and amino acid specific reagents were carried out to reveal the sensitivity of the enzyme. Three of the derivatives (Compound 20, 32 and 39)(11) showed competitive inhibition (K(i) =45, 48 and 235 mu M) and the binding of the inhibitors to the enzyme was entropically driven. Among the metal ions checked, Cu(++) (K(i) = 21nm) and Se(++) ions (K(i) = 32 mu M) showed noncompetitive and Co(++) (K(i) = 1.195 mM) showed competitive inhibition of the enzyme activity with insignificant change in the secondary structure of the protein. The above studies exhibit the Potential of the enzyme in studying anticancer drugs. Treatment of the enzyme with group specific reagents showed the presence of carboxylate, Arg and Cys at the active site. Substrate protection studies and kinetics of the modified enzyme confirmed the above results. Trp and His at the active site were observed to be in proximity.
}, keywords = {active-site, alpha-Mannosidase, Chemical modification, Glycosidase inhibitors, metal ions}, issn = {0973-6263}, author = {Shashidhara, K. S. and Gaikwad, S. M. and Khan, Mohammad Islam and Bharadwaj, Kishor Chandra and Pandey, G.} } @article { ISI:000264897200035, title = {Interfacial and physico-chemical properties of polymer-supported CdS center dot ZnS nanocomposites and their role in the visible-light mediated photocatalytic splitting of water}, journal = {Journal of Colloid and Interface Science}, volume = {333}, number = {1}, year = {2009}, month = {MAY}, pages = {263-268}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Nano-composite CdS center dot ZnS moieties coated over polyester strip were found to exhibit better visible-light-mediated photo-activity for splitting of water, as compared to corresponding pure CdS or ZnS containing coupons. This increase in activity depended upon the mol ratio of the two component sulphides in a particular sample. HRTEM experiments revealed the presence of 1-3 nm size CdS particles embedded over larger size ZnS clusters, the composite samples thus functioning as a highly dispersed guest-host system. In the case of CdS and ZnS dispersed individually over polyester, average crystallite size was found to be around 5 and 15 rim, respectively. A blue shift was observed in the UV-vis absorption spectrum of US oil addition of ZnS, in conformation with the quantum size effects. Powder XRD, electron diffraction and XPS Studies showed that the nanocomposites were comprised of the face-centered cubic (alpha) phases of both US and ZnS in a close contact with each other. At the same time, certain solid solution phases, i.e. Cd(1-x)Zn(x)S. were generated at the interfaces of these two semiconductors. Our Study demonstrates that the increase in the number of reaction sites due to smaller size of US particles and the micro-structural properties associated with the nanostructured US or CdS/ZnS interfaces may together play a vital role in the augmented catalytic activity of CdS center dot ZnS composite photocatalysts. (c) 2009 Elsevier Inc. All rights reserved.
}, keywords = {CdS center dot ZnS nanocomposites, Photocatalytic activity, Role of microstructural properties, Splitting of water}, issn = {0021-9797}, doi = {10.1016/j.jcis.2009.01.037}, author = {Deshpande, Aparna and Shah, Pallavi and Gholap, Ramkrishna S. and Gupta, Narendra M.} } @article { ISI:000272338600007, title = {Interfacial reactivity of {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} reactions in the presence of alcoholic cosolvents}, journal = {Journal of Physical Chemistry A}, volume = {113}, number = {49}, year = {2009}, month = {DEC}, pages = {13685-13693}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A detailed study of the variation in the interfacial reactivity and selectivity of {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} reactions in the presence of increasing amounts of alcoholic cosolvents is discussed in the present work. The initial increase in the rates of {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} reactions on the addition of alcoholic cosolvents is contrary to the sharp decrease in rates observed for homogeneous aqueous reactions. The existing theoretical framework is presented in terms of a typical {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} process to enable a discussion of the experimental observations with reference to changing composition of the reaction medium. On the basis of the interesting observations of reactivity and selectivity variations with composition of the reaction medium, a simple {\textquoteleft}{\textquoteleft}signature{\textquoteright}{\textquoteright} characteristic for {\textquoteleft}{\textquoteleft}on water{\textquoteright}{\textquoteright} reactions is proposed.
}, issn = {1089-5639}, doi = {10.1021/jp906281g}, author = {Tiwari, Shraeddha and Kumar, Anil} } @article { ISI:000269926200012, title = {Intermediate hamiltonian hilbert space coupled cluster method: theory and pilot application}, journal = {International Journal of Quantum Chemistry}, volume = {109}, number = {13}, year = {2009}, month = {NOV}, pages = {2909-2915}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The intermediate Hamiltonian state universal (Hilbert-space) coupled-cluster method is presented, using a formalism similar to that developed for the valence universal (Fock-space) approach. The method is expected to be applicable to many states not accessible by traditional multiroot multireference all-order size-extensive approaches. A pilot application to excited states of atomic beryllium shows good convergence and agreement with experiment and full CI values. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 2909-2915, 2009
}, keywords = {coupled cluster, Hilbert space, intermediate Hamiltonian}, issn = {0020-7608}, doi = {10.1002/qua.22155}, author = {Eliav, Ephraim and Borschevsky, Anastasia and Shamasundar, K. R. and Pal, Sourav and Kaldor, Uzi} } @article { ISI:000270136900080, title = {Intracellular biogenic silver nanoparticles for the generation of carbon supported antiviral and sustained bactericidal agents}, journal = {Langmuir}, volume = {25}, number = {19}, year = {2009}, month = {OCT}, pages = {11741-11747}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Intracellular silver nanoparticles produced by exposing silver ions to the fungus Aspergillus ochraceus were heat-treated in nitrogen environment to yield silver nanoparticles embedded in carbonaceous supports. This carbonaceous matrix embedded silver nanoparticles showed antimicrobial properties against both bacteria (Gram-positive and Gram-negative) and virus (M 13 phage virus). The bactericidal effects were noticed even after washing and repealed exposure of these carbon supported silver nanoparticles to fresh bacterial Cultures, revealing their sustained activity.
}, issn = {0743-7463}, doi = {10.1021/la901024p}, author = {Vijayakumar, P. S. and Bhagavatula L. V. Prasad} } @article { ISI:000267159700033, title = {Investigations on Ru doped ZnO: strain calculations and gas sensing study}, journal = {Sensors and Actuators B-Chemical}, volume = {139}, number = {2}, year = {2009}, month = {JUN}, pages = {466-470}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Pure and ruthenium (Ru) doped nano-crystalline zinc oxide (ZnO) powders were synthesized by using well-known citrate gel route. Citric acid acts as a chelating agent and thus helps in the formation of nanoparticles. The detailed X-ray diffraction (XRD) studies using Hall equation reveal that in the nanoscale dimensions, incorporation of Ru modulates the lattice strain. It is interesting to note that on Ru doping, the compressive strain present in the undoped ZnO changes into tensile strain. We have tested the response of these specimens individually for reducing gases like H(2), LPG (liquefied petroleum gas), C(2)H(5)OH (ethanol), CO, acetone and oxidizing gases like NO, and Cl(2). Undoped ZnO responses perceptibly to LPG while Ru doped sample highly senses ethanol vapors. This might be due to either change in composition on Ru doping or/and difference between basicity of LPG and C(2)H(5)OH vapors. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Citrate gel, Ethanol sensor, LPG sensor, Nanomaterials, ruthenium}, issn = {0925-4005}, doi = {10.1016/j.snb.2009.03.068}, author = {Navale, Shalaka C. and Ravi, V. and Mulla, Imtiaz S.} } @article { ISI:000265804300014, title = {Ionization potential and structure relaxation of adenine, thymine, guanine and cytosine bases and their base pairs: a quantification of reactive sites}, journal = {Journal of Molecular Structure-Theochem}, volume = {902}, number = {1-3}, year = {2009}, month = {MAY}, pages = {96-102}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We present density functional theory (DFT) calculations using B3LYP/6-31++G** method to show relaxation in geometry of base pairs on cation radical formation. The changes in hydrogen bond length and angles show that in the cationic radical form the structure of the base pairs relaxes due to the distribution of charge. According to a recent study. it has been found that, upon excitation hole transfer from base to sugar occurs which results in sugar radical formation and leads to strand breakage 145] [A. Kumar, M.D. Sevilla, J. Phys. Chem. B 110 (2006) 24181]. One hydrogen bond increases, while the other decreases in Adenine-Thymine (AT) base pair and in case of Guanine-Cytosine (GC) base pair. one bond increases and other two decrease. Same is the case with bond angles for both the base pairs. Analysis of the electron density map of Singly Occupied Molecular Orbital (SOMO) reveals that electron is transferred mainly from adenine and guanine bases in the cationic radical formation of AT and CC base pair, respectively. The reactive sites of bases have been analyzed using condensed Fukui functions in a relaxed and frozen core approximation. The effects of relaxation on the reactivity indices are also analyzed. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Base-pairs, DNA bases, Fukui function, H-bond length, Ionization potential}, issn = {0166-1280}, doi = {10.1016/j.theochem.2009.02.018}, author = {Mishra, Deepti and Pal, Sourav} } @article { ISI:000266411800024, title = {Isostructural molecular strings linked via conserved dipolar (ether) O center dot center dot center dot C=O short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters}, journal = {CrystEngComm}, volume = {11}, number = {6}, year = {2009}, month = {JAN}, pages = {1022-1029}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Conformational dimorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoformate and its orthoacetate analogue were characterized using single crystal X-ray diffraction, thermal analysis and hot-stage microscopy techniques. In these polymorphs, the tosyl group adopted different conformations due to the rotation about the O-S bond. A significant variation in the torsion angle for the tosyl group (similar to 56 degrees) was observed for Form II crystal of the orthoformate derivative, which exhibited an intramolecular dipolar S=O center dot center dot center dot C=O (sulfonyl-carbonyl) short contact. An interesting feature in all conformational polymorphs is the formation of an isostructural string (despite the differences in the orientation of the tosyl group) linked via dipolar (ether) O center dot center dot center dot C=O contacts, which is further stitched by other weak interactions to form different layers in their crystal lattice.
}, issn = {1466-8033}, doi = {10.1039/b818888b}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000268053200010, title = {Isothermal crystallization and melting behavior of polypropylene/layered double hydroxide nanocomposites}, journal = {Thermochimica Acta}, volume = {491}, number = {1-2}, year = {2009}, month = {JUL}, pages = {63-70}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The effect of layered double hydroxide (LDH) nanolayers on the crystallization behavior of polypropylene (PP) was studied based on the preparation of nanocomposites by a melt intercalation method. The isothermal crystallization kinetics and subsequent melting behavior of PP/LDH hybrids were studied with differential scanning calorimetry (DSC), polarized optical microscopy (POM), and wide-angle X-ray diffraction (WAXD). Studies revealed that the LDH promoted heterogeneous nucleation, accelerating the crystallization of PR The Avrami equation successfully describes the isothermal crystallization kinetics of PP/LDH hybrids and signifies heterogeneous nucleation in crystal growth of PR The varying values of Avrami exponent (n) and half crystallization time (t(1/2)) of PP and PP/LDH hybrids describes overall crystallization behavior. The crystallite size (D(hkl)) and distribution of different crystallites in PP varied in presence of LDH. A significant increase in melting temperature is observed for PP/LDH hybrids. The POM showed that smaller and less perfect crystals were formed in nanocomposites because of molecular interaction between PP chains and LDH. The value of fold surface free energy (sigma(e)) of PP chains decreased with increasing LDH content. Finally, the overall results signify that LDH at nanometer level acted as nucleating agent and accelerate the overall crystallization process of PR (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Isothermal crystallization, Layered double hydroxide, Melting behavior, Polypropylene nanocomposites}, issn = {0040-6031}, doi = {10.1016/j.tca.2009.03.002}, author = {Lonkar, Sunil P. and Singh, R. P.} } @article { ISI:000266930900034, title = {Iterative approach to enantiopure syn/anti-1,3-polyols via proline-catalyzed sequential alpha-aminoxylation and horner-wadsworth-emmons olefination of aldehydes}, journal = {Organic Letters}, volume = {11}, number = {12}, year = {2009}, month = {JUN}, pages = {2611-2614}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Iterative use of proline-catalyzed tandem alpha-aminoxylation and HWE olefination of aldehydes provided a simple access to 1,3-polyols. The feasibility of this approach is initially studied to synthesize syn- and anti-1,3-diols and is further extended to a syn/syn-1,3,5-triol at a useful level of asymmetric induction and yield. Its usage is Illustrated by the short synthesis of a hydroxylactone pheromone component, (2S,3S)-2-hydroxyhexylcyclopentanone.
}, issn = {1523-7060}, doi = {10.1021/ol900868v}, author = {Kondekar, Nagendra B. and Kumar, Pradeep} } @article { ISI:000262582400008, title = {Kinetic evidence for the influence of subsurface oxygen on palladium surfaces towards CO oxidation at high temperatures}, journal = {Chemistry-an Asian Journal}, volume = {4}, number = {1}, year = {2009}, month = {OCT}, pages = {74-80}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Transient state kinetics of the catalytic oxidation of CO with 0, on Pd-surfaces has been measured under isothermal conditions by using a molecular beam approach. Systematic studies were carried out as a function of reaction temperature and CO+O(2) composition. With sufficient kinetic evidence, we have demonstrated the positive influence of subsurface oxygen towards CO-adsorption and oxidation to CO, at high temperatures (600-900 K) on Pd-surfaces, and the likely electronic nature of the surface changes with oxygen in the subsurface. These studies also provide a direct proof for CO-adsorption with a significantly reactive sticking coefficient at high temperatures on Pd-surfaces exhibiting a significant subsurface O-coverage.
}, keywords = {Adsorption, kinetics, Oxidation, Palladium, surface analysis}, issn = {1861-4728}, doi = {10.1002/asia.200800278}, author = {Gopinath, Chinnakonda S. and Thirunavukkarasu, Kandasamy and Nagarajan, Sankaranarayanan} } @article { ISI:000268905100015, title = {Kinetics of arylation of 3-bromo-benzophenone with n-butylacrylate using NC palladacycle catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {309}, number = {1-2}, year = {2009}, month = {AUG}, pages = {111-116}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The kinetics of arylation of n-butylacrylate (n-BA) with 3-bromo-benzophenone (BBP) using a monomeric palladacycle complex [Pd(ppy)(PPh(3))(OTs)](ppy=2-phenylpyridine) catalyst has been studied. The effect of concentration of the substrate, base (NaOAc), and catalyst was studied at three different temperatures (413-433 K). The rate was found to be first order with respect to catalyst, first order tending to zero order with respect to n-butylacrylate and NaOAc concentrations. The rate passed through a maximum with variation of BBP concentration. The observed results have been explained on the basis of formation of Pd species (PdX(2), PdX(3)(-), PdX(4)(2-), and Pd(2)X(6)(2-)) which are inactive for the Heck reaction. Various empirical rate equations were considered to fit the rate data and the best fitting model has been selected. The rates predicted by model were found to be in good agreement with the observed experimental data. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Arylation, Heck reaction, kinetics, Palladacycle}, issn = {1381-1169}, doi = {10.1016/j.molcata.2009.05.003}, author = {Atla, Shashi B. and Rajurkar, Kalpendra B. and Kelkar, Ashutosh A. and Chaudhari, Raghunath V.} } @article { ISI:000270759600015, title = {LC-UV and LC-MS evaluation of stress degradation behaviour of tenatoprazole}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {50}, number = {5}, year = {2009}, month = {DEC}, pages = {787-793}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In the present study, comprehensive stress testing of tenatoprazole was carried out according to ICH guideline Q1A (R2). Tenatoprazole was subjected to stress conditions of hydrolysis, oxidation, photolysis and neutral decomposition. Additionally, the solid drug was subjected to 50 degrees C for 60 days in dry-bath, and to the combined effect of temperature and humidity at 40 degrees C/75\% RH. Extensive degradation was found to occur in acidic, neutral and oxidative conditions. Mild degradation was observed in basic conditions. The drug is relatively stable in the solid-state. The products formed under different stress conditions were investigated by LC and LC-MS. Successful separation of drug from degradation products formed under stress conditions was achieved on a Chemito ODS-3 column [C(18) (5 mu m, 250 mm x 4.6 mm, i.d.)] using methanol: 0.01 M acetate buffer pH 4.5 adjusted with glacial acetic acid (55:45) as the mobile phase at flow rate of 1 mL/min and the peak was detected using a UV detector set at 306 nm. The LC-MS m/z values and fragmentation patterns of degradation products formed under different stress conditions were studied and characterized through LC-MS fragmentation. Based on the results, degradation pathway for drug has been proposed. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {HPLC, Stability-indicating method, Stress studies, Tenatoprazole, Validation}, issn = {0731-7085}, doi = {10.1016/j.jpba.2009.06.026}, author = {Mahadik, Mahadeo V. and Bhusari, Vidhya K. and Kulkarni, Mahesh J. and Dhaneshwar, Sunil R.} } @article { ISI:000266263000034, title = {Liquid phase oxidation of p-cresol over cobalt saponite}, journal = {Topics in Catalysis}, volume = {52}, number = {6-7}, year = {2009}, month = {JUN}, pages = {784-788}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Liquid phase oxidation of p-cresol was carried out over a Co-saponite catalyst in a temperature and pressure range of 333-393 K and 20-827 kPa, respectively in n-propanol. Co-saponites with varying cobalt content (5-30\%) were prepared and screened among which 13\% Co-saponite gave the highest conversion of 92\% of p-cresol with 92\% selectivity to p-hydroxybenzaldehyde without formation of any non-oxidation products.
}, keywords = {Co-saponite, Liquid phase oxidation, p-Cresol, p-Hydroxybenzaldehyde, XPS}, issn = {1022-5528}, doi = {10.1007/s11244-009-9199-z}, author = {Kshirsagar, Vikas S. and Garade, Ajit C. and Patil, Kashinath R. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article { ISI:000270593200035, title = {Lombardo{\textquoteright}s reagent}, journal = {Synlett}, number = {15}, year = {2009}, month = {SEP}, pages = {2545-2546}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, issn = {0936-5214}, doi = {10.1055/s-0029-1217801}, author = {Chand, Hemender R.} } @article { ISI:000268500500025, title = {Magnesium oxide supported nano-gold: a highly active catalyst for solvent-free oxidation of benzyl alcohol to benzaldehyde by TBHP}, journal = {Catalysis Communications}, volume = {10}, number = {13}, year = {2009}, month = {JUL}, pages = {1738-1742}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nano-size gold particles deposited on MgO by the homogeneous deposition- precipitation showed very high catalytic activity with nearly 100\% conversion of benzyl alcohol in a short reaction period (0.5 h) and more over showed excellent reusability in the process. Influence of the catalyst support (MgO, CaO, BaO, SrO, Al(2)O(3), Ga(2)O(3) and In(2)O(3)), method of gold deposition, Au loading and catalyst calcination temperature and also that of the reaction conditions (viz. reaction time and temperature) on the benzyl alcohol to benzaldehyde oxidation have been thoroughly investigated. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Alkaline earth oxides, Benzaldehyde, Benzyl alcohol, Gr.IIIa metal oxides, Oxidation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2009.05.020}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @article { ISI:000268022700058, title = {Magnetic and dielectric properties of nanophase manganese-substituted lithium ferrite}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {321}, number = {19}, year = {2009}, month = {OCT}, pages = {3270-3273}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nanocrystalline manganese-substituted lithium ferrites viz. Li0.5Fe2.5-xMnxO4 (2.5 \<= x \>= 0) were prepared by sol-gel autocombustion method. X-ray diffraction analysis confirmed that as the concentration of manganese increases the cubic phase changes to the tetragonal phase. The variation of saturation magnetization was studied as a function of manganese content. All the compositions indicate that they are ferrimagnetic in nature. The dielectric constant, dielectric loss tangent and ac conductivity of all samples were measured at room temperature as a function of frequency. These parameters decrease with increase in frequency for all of the samples. The substitution of manganese plays an important role in changing the structural and magnetic properties of these ferrites. The compositional variation of dielectric constant and d.c. resistivity shows an inverse trend of variation with each other. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {dielectric constant, Ferrite, Magnetization, X-ray diffraction}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2009.05.074}, author = {Hankare, P. P. and Patil, R. P. and Sankpal, U. B. and Jadhav, S. D. and Mulla, Imtiaz S. and Jadhav, K. M. and Chougule, B. K.} } @article { ISI:000269638800052, title = {Magnetic characteristics of nanocrystalline multiferroic BiFeO3 at low temperatures}, journal = {Physical Review B}, volume = {80}, number = {6}, year = {2009}, month = {AUG}, pages = {064423}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
The magnetic characteristics of nanocrystalline BiFeO3 with average crystallite sizes of similar to 50 and similar to 100 nm are evaluated by studying the temperature and field dependence of magnetization at low temperatures. Different properties such as magnetization, coercivity, and remanence show evidence for changes in the magnetic properties associated with the phase transitions at low temperatures, reported from Raman studies. Detailed field-cooled and zero-field-cooled magnetization measurements show that the likely origin of the changes in the magnetic characteristics is from the changes in the domain structure.
}, keywords = {bismuth compounds, coercive force, crystallites, magnetic domains, magnetic transitions, Multiferroics, Nanostructured materials, Raman spectra, remanence}, issn = {1098-0121}, doi = {10.1103/PhysRevB.80.064423}, author = {Vijayanand, S. and Mahajan, Mangesh B. and Potdar, H. S. and Joy, Pattayil Alias} } @article { ISI:000272896300048, title = {Magnetic phase transition in valence tautomers as polymorphs of 3-iodolawsone: Single crystal X-ray structure, DSC and EPR studies}, journal = {Journal of Molecular Structure}, volume = {938}, number = {1-3}, year = {2009}, month = {DEC}, pages = {328-335}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Three polymorphs of 3-iodolawsone (I-III) have been isolated and characterized by single crystal X-ray diffraction, electron paramagnetic resonance (EPR) spectroscopy and differential scanning calorimetry (DSC) techniques. Polymorphs I and II were crystallized from methanol in two different valence tautomeric forms: hydroxynaphthoquinone (HNQ) and hydroxynaphthoseimquinone (HNSQ) as needles and thick plates, respectively. Polymorph III was crystallized from ethanol in HNQ form, as thin plates Chiral crystals of I belongs to the orthorhombic P2(1)2(1)2(1) space group: II and III belong to the monochnic non-centrosymmetric space group Cc. The molecules are packed via O-H O bonding and pi . pi stacking interactions. The study reveals that relatively stronger intermolecular H-bonding (2.02 angstrom) and most favoured pi . pi stacking (similar to 3 49 angstrom) interactions lead II to HNSQ radicals, presence of which was confirmed by EPR (g = 2.0052) spectroscopy. Interestingly, these materials exhibit crystal-to-crystal magnetic phase transition from polymorph I (diamagnetic) to polymorph II (paramagnetic structure) at 171.1 degrees C as identified by DSC and X-ray crystallographic studies (C) 2009 Elsevier B.V. All rights reserved
}, keywords = {3-Iodolawsone, Hydroxynaphthoquinone (HNQ), Hydroxynaphthosemiquinone radical (HNSQ), Magnetic phase transition, Polymorphs, Valence tautomers}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.10.005}, author = {Zaware, Santosh B. and Dagade-Waghmode, Shobha and Gonnade, Rajesh G. and Srinivas, Darbha and Rane, Sandhya Y.} } @article { ISI:000267086900013, title = {Magnetizability of doublet radicals using fock space multi-reference coupled cluster method}, journal = {International Journal of Quantum Chemistry}, volume = {109}, number = {10, SI}, year = {2009}, month = {AUG}, pages = {2191-2198}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
In this article, we report the first implementation of the recently developed Fock space multi reference Coupled cluster (FSMRCC) response approach for magnetizabilities. The FSM-RCC treats dynamic and static correlation in a very extensive manner. We report pilot application of the diarnagnetizability of NO, NO2, OH, and BH2 radicals. We also report preliminary applications of the paramagnetic magnetizability of the NO radical. Standard atom-centered Gaussian basis functions have been used, and this allowed US to Study the gauge dependence of the magnetizabilities. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 2191-2198, 2009
}, keywords = {Fock space, magnetizability, multireference}, issn = {0020-7608}, doi = {10.1002/qua.22093}, author = {Ravichandran, Lalitha and Vaval, Nayana and Pal, Sourav} } @article { ISI:000263397900005, title = {Manipulation of magnetic nanostructures through low temperature metal-oxygen chemistry: Co/CoO exchange biased nanodonuts and Co nanotips}, journal = {Solid State Communications}, volume = {149}, number = {7-8}, year = {2009}, month = {FEB}, pages = {277-280}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Dense nanodonut and nanotip type morphologies are shown to self-evolve in Ultrathin cobalt films during growth under Vacuum, depending oil the level of oxygen incorporation and temperature. The nanodonut morphology forms at room temperature and the corresponding magnetic hysteresis shows exchange bias (similar to 35 Oe shift along the field axis), which is attributed to the presence of CoO and its exchange Coupling with cobalt. The morphology evolves into nanotip features with increase of growth temperature, with Concurrent elimination of the oxide component and exchange bias. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Co/CoO, Magnetic film, self assembly, Vacuum evaporation}, issn = {0038-1098}, doi = {10.1016/j.ssc.2008.12.019}, author = {Phase, Deodatta and Choudhary, Ram Janay and Ganesan, V. and Reddy, V. Raghvendra and Gupta, Ajay and Selvi, N. and Kulkarni, Sneha and Ogale, Satishchandra} } @article { ISI:000268376100057, title = {Mannitol production from glycerol by resting cells of Candida magnoliae}, journal = {Bioresource Technology}, volume = {100}, number = {20}, year = {2009}, month = {OCT}, pages = {4911-4913}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Production of mannitol from glycerol by resting cells of Candida magnoliae under aerobic condition was investigated. The resting cells were Suspended in aqueous Solution of glycerol in Erlenmeyer flasks and incubated on rotary shaker. The samples were analyzed by ion exclusion-HPLC equipped with refractive index and UV detector. The resting cells of C. magnoliae produced mannitol from fructose, Sucrose and glycerol but not from glucose. Addition of yeast extract and/or potassium phosphate to the glycerol solution adversely affected its conversion to mannitol. The conversion of glycerol to mannitol was dependent on oxygen availability. Using testing cells, the yield of mannitol was as high as 45\%. This is probably the first report of conversion of glycerol to mannitol by osmophilic yeast. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Candida magnoliae, Glycerol, Mannitol production, Resting cells}, issn = {0960-8524}, doi = {10.1016/j.biortech.2009.04.048}, author = {Khan, Asiya and Bhide, Amey J. and Gadre, Ramchandra V.} } @article { ISI:000264991100040, title = {Mass transfer and solubility of CO and H-2 in ionic liquid. case of [Bmim][PF6] with gas-inducing stirrer reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {8}, year = {2009}, month = {APR}, pages = {4075-4082}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Since the past decade, ionic liquids have gained significant importance as alternative solvents for catalysis applications. Many of the reactions evaluated in ionic liquids employ gases as substrates, and therefore it is important to know their solubility and mass transfer characteristics. This work reports for the first time both the solubility and volumetric gas-liquid mass transfer coefficient k(La) for hydrogen and carbon monoxide in 1-n-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) at three temperatures (293, 323, and 373 K) in relevance to hydroformylation reaction. The experimental data on the volumetric gas-liquid mass transfer coefficient are described by a dimensionless correlation for the bench-scale stirred tanks with gas-inducing impeller. k(La) values have also been evaluated for different [Bmim][PF6]-decane emulsions at 373 K.
}, issn = {0888-5885}, doi = {10.1021/ie801584p}, author = {Sharma, Amit and Julcour, Carine and Kelkar, Ashutosh A. and Deshpande, Raj Madhukar and Delmas, Henri} } @article { ISI:000272936400005, title = {Mechanistic study of surface functionalization of enzyme lysozyme synthesized Ag and Au nanoparticles using surface enhanced raman spectroscopy}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {52}, year = {2009}, month = {DEC}, pages = {21493-21500}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The fate of bioactivity of biomolecules such as enzymes, proteins, and even drug molecules is greatly affected by the conformational changes in the proximity of the solid surfaces. This interaction is the key to the potential of their further applications as biosensors, in drug delivery, etc. With increasing interest in the biofunctionalization of noble metal nanoparticles for various applications, it is important to precisely investigate the functional groups responsible for binding with the nanoparticle surfaces and probable structural changes in the structure of the biomolecules as both are key factors affecting the bioactivity of these molecules once they are tagged onto the nanoparticle surfaces. However, it is not an easy task to probe these properties, especially for bigger Molecules such as enzymes and proteins. Surface-enhanced Raman spectroscopy (SERS) has been used extensively in the detection of biomolecules and study of their conformation on noble metal surfaces since its discovery because of its high sensitivity. This technique is capable of detecting changes in the secondary structure and the effects of surrounding environment on the biomolecule in the proximity of nanoscopic rough metal surfaces. In this study, we have used this technique to precisely determine the functional groups responsible in the Surface capping of Ag and Au nanoparticles synthesized by the hen egg derived enzyme lysozyme. The sharp and intense Stokes Raman shift peaks observed around 704, 866, 1519, and 1598 cm(-1), in the case of Ag nanoparticles, which are assigned to tryptophan, tyrosine, phenylalanine, and histidine residues, clearly indicate the involvement of these residues for surface passivation of the Ag nanoparticle surface. The Ag-N peak situated around 236 cm(-1) was also seen in the spectra, showing that probably the amine group of lysozyme is responsible in binding to the Ag nanoparticle surface. Similarly, in the case of Au nanoparticles, we observed sharp and intense peaks around 1583, 1545, and 1584 cm(-1) which were assigned to above-mentioned amino acid residues, indicating that a similar mechanism is also responsible for the binding of lysozyme molecules at the Au nanoparticle surface. In both cases peaks for the amide III band (C-N-H) around 1250 cm(-1) were also observed.
}, issn = {1932-7447}, doi = {10.1021/jp905806t}, author = {Das, Raja and Jagannathan, Ramya and Sharan, Chandrashekhar and Kumar, Umesh and Poddar, Pankaj} } @article { ISI:000265398300016, title = {Media optimization for biosurfactant production by rhodococcus erythropolis MTCC 2794: artificial intelligence versus a statistical approach}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {36}, number = {5}, year = {2009}, month = {MAY}, pages = {747-756}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
This paper entails a comprehensive study on production of a biosurfactant from Rhodococcus erythropolis MTCC 2794. Two optimization techniques-(1) artificial neural network (ANN) coupled with genetic algorithm (GA) and (2) response surface methodology (RSM)-were used for media optimization in order to enhance the biosurfactant yield by Rhodococcus erythropolis MTCC 2794. ANN and RSM models were developed, incorporating the quantity of four medium components (sucrose, yeast extract, meat peptone, and toluene) as independent input variables and biosurfactant yield [calculated in terms of percent emulsification index (\% EI24)] as output variable. ANN-GA and RSM were compared for their predictive and generalization ability using a separate data set of 16 experiments, for which the average quadratic errors were similar to 3 and similar to 6\%, respectively. ANN-GA was found to be more accurate and consistent in predicting optimized conditions and maximum yield than RSM. For the ANN-GA model, the values of correlation coefficient and average quadratic error were similar to 0.99 and similar to 3\%, respectively. It was also shown that ANN-based models could be used accurately for sensitivity analysis. ANN-GA-optimized media gave about a 3.5-fold enhancement in biosurfactant yield.
}, keywords = {Artificial neural network, Biosurfactant, Genetic algorithm, Media optimization, Response surface methodology, Rhodococcus}, issn = {1367-5435}, doi = {10.1007/s10295-009-0547-6}, author = {Pal, Moumita P. and Vaidya, Bhalchandra K. and Desai, Kiran M. and Joshi, Renuka M. and Nene, Sanjay N. and Kulkarni, Bhaskar D.} } @article { ISI:000265811500009, title = {Mesoporous silica immobilized cobalt complex: an efficient catalyst for epoxides ring opening by aromatic amines under ambient conditions}, journal = {Catalysis Communications}, volume = {10}, number = {10}, year = {2009}, month = {MAY}, pages = {1398-1403}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{Cobalt complex, CobpbH(2)Cl(2)2H(2)O [where
}, keywords = {beta-Amino alcohols, CobpbH(2)Cl(2)2H(2)O complex, Epoxide ring opening, Immobilization, SBA-15}, issn = {1566-7367}, doi = {10.1016/j.catcom.2009.03.005}, author = {Bordoloi, Ankur and Hwang, Young Kyu and Hwang, Jin-Soo and Halligudi, Shivaraj B.} } @article { ISI:000260148600010, title = {Metal complexes of crosslinked chitosans: correlations between metal ion complexation values and thermal properties}, journal = {Carbohydrate Polymers}, volume = {75}, number = {1}, year = {2009}, month = {JAN}, pages = {63-70}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A series of heavy metal complexes of crosslinked chitosans were evaluated by thermogravimetric studies. The metal complexes with Cu, Cd and Hg ions exhibiting the highest complexing ability to chitosans (Hg 354-364, Cu 100-112, and Cd 121-160, in mg/g chitosan), had the lowest onset of degradation temperatures (range 194-210 degrees C) and the lowest final degradation temperatures (generally less than 294-304 degrees C for Hg, 296-338 degrees C for Cu, and 305-368 degrees C for Cd complexes). Mn ion, with the lowest binding to chitosans (Mn 5-7 mg/g), showed the reverse behavior, having onset (240-248 degrees C) and final degradation temperatures (range 300-368 degrees C). Zn (binding 74-87 mg/g) and Pb (binding 39-62 mg/g) ions have a binding ability intermediate to Cu/Cd/Hg and Mn extremes, and therefore the effects on onset and final degradation temperatures are intermediate to these values. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Chitosan, Crosslinked chitosan, Degradation temperature, Metal complexes, Thermal properties, Thermogravimetry}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2008.06.011}, author = {Trimukhe, K. D. and Varma, Anjanikumar} } @article { ISI:000266034600017, title = {Methyl glycosides are identified as glycosyl donors for the synthesis of glycosides, disaccharides and oligosaccharides}, journal = {Chemical Communications}, number = {18}, year = {2009}, month = {MAR}, pages = {2505-2507}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Stable methyl glycosides are identified as glycosyl donors in the presence of AuBr(3) in acetonitrile; a panel of aglycones comprising aliphatic, alicyclic, steroidal and sugar alcohols are examined successfully for the glycosylation reaction and methyl glycosides of di- and tri-saccharides are converted to corresponding tri- and tetra-saccharides exploiting salient features of our novel activation protocol.
}, issn = {1359-7345}, doi = {10.1039/b822526e}, author = {Vidadala, Srinivasa Rao and Hotha, Srinivas} } @article { ISI:000266093800005, title = {MgCl2 center dot 4(CH3)(2)CHOH: a new molecular adduct and super active polymerization catalyst support}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {20}, year = {2009}, month = {MAY}, pages = {8556-8559}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new molecular adduct, MgCl(2 center dot)4(CH3)(2)CHOH, has been synthesized and characterized for structural aspects and demonstrated for super active ethylene polymerization activity with TiCl4 to ultrahigh molecular weight polyethylene in high yield.
}, issn = {1932-7447}, doi = {10.1021/jp9026546}, author = {Thushara, K. S. and Mathew, Renny and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @article { ISI:000266222400014, title = {Microwave assisted convenient synthesis of quino[2,3-b][1,5]benzoxazepines}, journal = {Chinese Chemical Letters}, volume = {20}, number = {5}, year = {2009}, month = {MAY}, pages = {557-561}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
A convenient synthesis of quino[2,3-b][1,5]benzoxazepines from substituted 2-chloroquinoline-3-carbaldehyde and 2-hydroxyaniline by using stable, non-toxic and inexpensive catalyst 1,8-diazabicyclo-undecan-7-ene (DBU)/silica gel is described. This method affords the quino[2,3-b][1,5]benzoxazepines under the influence of microwave irradiation (360 W) in solvent-free conditions within short reaction times (2-3 min), giving high yields of products (93-96\%). (C) 2009 Murlidhar S. Shingare. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
}, keywords = {3-b][1, 5]benzoxazepines, DBU/silica gel, Microwave irradiatiom, Quino[2, Solvent-free}, issn = {1001-8417}, doi = {10.1016/j.cclet.2009.01.031}, author = {Sonar, Swapnil S. and Sadaphal, Sandip A. and Pawar, Shivaji S. and Shingate, Bapurao B. and Shingare, Murlidhar S.} } @article { ISI:000263353200007, title = {Microwave dielectric and attenuation properties of Ni0.7-xCoxZn0.3Fe2O4 thick films}, journal = {Microelectronics International}, volume = {26}, number = {1}, year = {2009}, month = {JAN}, pages = {43-46}, publisher = {EMERALD GROUP PUBLISHING LIMITED}, address = {HOWARD HOUSE, WAGON LANE, BINGLEY BD16 1WA, W YORKSHIRE, ENGLAND}, abstract = {
Purpose - The aim of this paper is to investigate permittivity of nano structured Ni0.7-xCoxZn0.3Fe2O4 thick films at microwave frequencies. Design/methodology/approach - Nanosized Ni0.7-xCoxZn0.3Fe2O4 ferrites with x = 0, 0.04, 0.08 and 0.12 were prepared by sucrose precursor technique using the constituent metal nitrates. Thick films of the ferrites were fabricated on alumina substrates by screen-printing technique. Microwave dielectric constant (epsilon{\textquoteright}) and the loss factor (epsilon {\textquoteleft}{\textquoteright}) for the thick films were measured by VSWR slotted section method in the 8-18 GHz range of frequencies. Microwave attenuation properties were studied using a waveguide reflectometer set up. Findings - Both the epsilon{\textquoteright} and epsilon {\textquoteleft}{\textquoteright} were found to vary with frequency and composition x It is observed that, value of epsilon{\textquoteright} increases with increase in x, due to the increase in bulk density and reduction in porosity of the material, that resulted due to the substitution of cobalt in Ni-Zn ferrite. The microwave transmission loss offered by the thick films was found to increase with the increase in cobalt concentration x Within the band width of 4 GHz (from 12-16 GHz), all the films except that with x = 0.04 offered the reflection loss of less than 3 dB. Originality/value - The dielectric constant of Ni0.7-xCoxZn0.3Fe2O4 thick films have been reported for the first time. These thick films provide scope for cost effective planar ferrite devices.
}, keywords = {Microwaves, Oxides, Thick-film circuits}, issn = {1356-5362}, doi = {10.1108/13565360910923160}, author = {Rendale, M. K. and Kulkarni, S. D. and Puri, Vijaya} } @article { ISI:000264969200041, title = {Microwave-assisted synthesis and humidity sensing of nanostructured alpha-Fe2O3}, journal = {Materials Research Bulletin}, volume = {44}, number = {5}, year = {2009}, month = {MAY}, pages = {1179-1182}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Nanocrystalline alpha-Fe2O3 has been prepared on a large-scale by a facile microwave-assisted hydrothermal route from a solution of Fe(NO3)(3)center dot 9H(2)O and pentaerythritol. A systematic study of the morphology, crystallinity and oxidation state of Fe using different characterization techniques. Such as transmission electron microscopy, X-ray diffraction, and X-ray photoelectron spectroscopy was performed It reveals. that nanostructured alpha-Fe2O3 comprises bundles of nanorods with a rhombohedral crystalline Structure. The individual nanorod has 8-10 nm diameter and similar to 50 nm length. The as-prepared nanostructured alpha-Fe2O3 (sensor) gives selective response towards humidity. The sensor shows high sensitivity, fast linear response to change in the humidity with almost 100\% reproducibility. The sensor works at room temperature and rejuvenates without heat treatment. The as-prepared nanostructured alpha-Fe2O3 appears to be a promising humidity sensing material with the potential for commercialization. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Chemical synthesis, Electrical properties, Nanostructures, Oxides, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2008.09.044}, author = {Deshmukh, Rupali G. and Badadhe, Satish S. and Mulla, Imtiaz S.} } @article {42728, title = {Mitsunobu and related reactions: advances and applications}, journal = {Chemical Reviews}, volume = {109}, year = {2009}, month = {APR}, pages = {2551{\textendash}2651}, doi = {10.1021/cr800278z}, author = {Swamy, K. C. Kumara and Kumar, N. N. Bhuvan and Balaraman, Ekambaram and Kumar, K. V. P. Pavan} } @article { ISI:000266640800030, title = {Modulation and optimization of drug release from uncoated low density porous carrier based delivery system}, journal = {AAPS Pharmscitech}, volume = {10}, number = {2}, year = {2009}, month = {JUN}, pages = {547-558}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The purpose of this research work was to explore an application of uncoated porous drug carrier prepared by single-step drug adsorption for a delivery system based on integration of floating and pulsatile principles intended for chronotherapy. This objective was achieved by utilizing 3(2) factorial design, solvent volume (X (1)) and drug amount (X (2)) as selected variables, for drug adsorption using solvents, methanol, and dichloromethane (DCM), of varying polarity. Nitrogen adsorption (N(2)), scanning electron microscopy of cross-sections, and atomic force microscopy were done to study adsorption patterns and their effect on release pattern. Drug release study was customized by performing for 6 h in acidic environment to mimic gastroretention followed by basic environment akin to transit phase. Correlation between porous data from mercury and N(2) adsorption was probably studied for the first time. Observed regression analysis values for pore volume, surface area, and drug release indicated the influence of selected variables. Total release range in acidic medium was 12.77-24.57\% for methanol, 8.79-15.26\% for DCM, and final release of 69.45-92.23\% for methanol, and 60.16-99.99\% for DCM influenced by varying internal geometries was observed. Present form of drug delivery system devoid of any additives/excipients influencing drug release shows distinct behavior from other approaches/technologies in chronotherapy by (a) observing desired low drug release (8\%) in acidic medium, (b) overcoming the limitations of process variables caused by multiple formulation steps and different characteristic polymers, (c) reducing time consumption due to single step process, and (d) extending as controlled/extended release.
}, keywords = {chronotherapy, floating pulsatile drug delivery system, low density porous carrier, pore data, solvent polarity}, issn = {1530-9932}, doi = {10.1208/s12249-009-9239-9}, author = {Sher, Praveen and Ingavle, Ganesh C. and Ponrathnam, Surendra and Poddar, Pankaj and Pawar, Atmaram P.} } @article { ISI:000269059100008, title = {Molecular mapping of wilt resistance genes in chickpea}, journal = {Molecular Breeding}, volume = {24}, number = {2}, year = {2009}, month = {SEP}, pages = {177-183}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Fusarium wilt is a widespread and serious chickpea disease caused by the soil-borne fungus Fusarium oxysporum f.sp. ciceri (Foc). We evaluated an F(9) recombinant inbred line population of chickpea for resistance to three Foc races (1, 2 and 3) in pot culture experiments and identified flanking and tightly linked DNA markers for the resistance genes. The simple sequence repeat markers H3A12 and TA110 flanked the Foc1 locus at 3.9 and 2.1 cM, respectively, while Foc2 was mapped 0.2 cM from TA96 and 2.7 cM from H3A12. The H1B06y and TA194 markers flanked the Foc3 locus at 0.2 and 0.7 cM, respectively. These markers were also validated using 16 diverse chickpea genotypes. Identification of tightly linked flanking markers for wilt resistance genes will be useful for their exploitation in breeding programs and to understand the mechanism of resistance and evolution of the genes.
}, keywords = {fusarium oxysporum, Fusarium wilt, Genetic mapping, Marker validation, Pathogen races}, issn = {1380-3743}, doi = {10.1007/s11032-009-9282-y}, author = {Gowda, S. J. M. and Radhika, P. and Kadoo, Narendra Y. and Mhase, L. B. and Gupta, V. S.} } @article { ISI:000262658000018, title = {Montmorillonite for selective hydroxyalkylation of p-cresol}, journal = {Applied Clay Science}, volume = {43}, number = {1}, year = {2009}, month = {JAN}, pages = {113-117}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Performances of montmorillonite titanium silicate (TS-1) and dodecatungstophosphoric acid (DTP) were compared for the hydroxyalkylation of p-cresol into dihydroxydiarylmethane (DAM). Ammonia TPD studies of various catalysts showed that an appropriate combination of both strong and weak acid sites of montmorillonite was mainly responsible rather than only the stronger acidity of bulk DTP for its highest catalytic activity for selective hydroxyalkylation of p-cresol to DAM. The selectivity to DAM could be enhanced by adjusting reaction conditions like mole ratio of p-cresol to formaldehyde, reaction temperature, catalyst concentration, solvent and reaction time. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Ammonia TPD, Dihydroxydiarylmethane, Hydroxyalkylation, Montmorillonite, Solid acids}, issn = {0169-1317}, doi = {10.1016/j.clay.2008.07.015}, author = {Garade, Ajit C. and Mate, Vivek R. and Rode, C. V.} } @article { ISI:000265811500010, title = {MoO3/SiO2: an efficient and selective catalyst for the synthesis 1,3-dioxolane and 1,3-dioxane}, journal = {Catalysis Communications}, volume = {10}, number = {10}, year = {2009}, month = {MAY}, pages = {1404-1409}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A series of MoO3/SiO2 catalysts with varying amounts of MoO3 has been synthesized and the catalytic activities of these were compared with the known solid acid catalysts in the synthesis of 1,3-dioxolane. MoO3/SiO2 catalyst showed a better activity and selectivity in 1,3-dioxolane synthesis compared to the other catalysts. MoO3/SiO2 catalyst system was further successfully applied for the synthesis of 1,3-dioxanes in the Prins cyclization of olefins and formaldehyde. The proposed catalyst was thermally stable and could be recovered and reused at least in four consecutive cycles with no significant loss in the substrates conversions and products selectivities. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {1, 3-Dioxolanes, Cycloaddition, MoO3/SiO2, Prins cyclization, Sol-gel method, solid acid catalysts}, issn = {1566-7367}, doi = {10.1016/j.catcom.2009.03.007}, author = {Amrute, Amol P. and Sahoo, Suman and Bordoloi, Ankur and Hwang, Young Kyu and Hwang, Jin-Soo and Halligudi, Shiva B.} } @article { ISI:000272591100003, title = {Multiferroic behavior of gd based manganite}, journal = {Ferroelectrics}, volume = {392}, year = {2009}, month = {OCT}, pages = {PII 917324971}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Here we report the multiferroic nature of charge ordered manganite Gd0.5Sr0.5MnO3 for the first time. The temperature variation of dielectric constant shows broad relaxor type ferroelectric transition at around 210K and magnetization measurements shows weak ferromagnetism at 50K. The dielectric peak is very close to charge ordering temperature which is an evidence of the link between electronic state and increase of dielectric response. Butterfly variation of capacitance with voltage confirms ferroelectric nature of the sample at room temperature.
}, keywords = {dielectric constant, manganite, Multiferroic}, issn = {0015-0193}, doi = {10.1080/00150190903412408}, author = {Sagar, S. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000269291500035, title = {Nanocrystalline Mn-Zn-ferrite by novel oxalato-hydrazinated complex method}, journal = {Materials Chemistry and Physics}, volume = {117}, number = {1}, year = {2009}, month = {SEP}, pages = {187-191}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
We report here for the first time the synthesis of technologically important ferrite, using a metal oxalato-hydrazinate (MOH) complex method. The MOH complex of iron-manganese-zinc was synthesized at room temperature using the precursors, ferrous ammonium sulphate, manganese acetate and zinc acetate. Thermo-gravimetric studies of MOH intermediate showed complete phase formation of MnZnFe(2)O(4) at 280 degrees C. XRD data showed the formation of single phase cubic spinel MnZnFe(2)O(4). Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) demonstrate the spherical shape particle morphology. TEM images indicated the particle size of ferrite powder in the range of 20-36 nm. Magnetization of synthesized nano-sized Mn(0.69)Zn(.0.19)Fe(2.12)O(4) was observed coercive force (H(c)) at 127.82 Oe with a saturation magnetization (M(s)), 34.5 emu g(-1) using vibrating sample magnetometer (VSM) at room temperature. Mossbauer study of nano-sized ferrite powder showed super-paramagnteic behavior. (c) 2009 Elsevier B.V. All rights reserved.
}, keywords = {crystal structure, Magnetic materials, Mn-Zn-ferrite, Nanostructures, Optical properties}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2009.05.036}, author = {Kanade, K. G. and Amalnerkar, Dinesh P. and Potdar, H. S. and Kale, B. B.} } @article { ISI:000266208900051, title = {Nanoparticle-mediated targeting of MAPK signaling predisposes tumor to chemotherapy}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {106}, number = {19}, year = {2009}, month = {MAY}, pages = {7957-7961}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {
The MAPK signal transduction cascade is dysregulated in a majority of human tumors. Here we report that a nanoparticle-mediated targeting of this pathway can optimize cancer chemotherapy. We engineered nanoparticles from a unique hexadentate-polyD, L-lactic acid-co-glycolic acid polymer chemically conjugated to PD98059, a selective MAPK inhibitor. The nanoparticles are taken up by cancer cells through endocytosis and demonstrate sustained release of the active agent, resulting in the inhibition of phosphorylation of downstream extracellular signal regulated kinase. We demonstrate that nanoparticle-mediated targeting of MAPK inhibits the proliferation of melanoma and lung carcinoma cells and induces apoptosis in vitro. Administration of the PD98059-nanoparticles in melanoma-bearing mice inhibits tumor growth and enhances the antitumor efficacy of cisplatin chemotherapy. Our study shows the nanoparticle-mediated delivery of signal transduction inhibitors can emerge as a unique paradigm in cancer chemotherapy.
}, keywords = {cancer, Signal transduction}, issn = {0027-8424}, doi = {10.1073/pnas.0902857106}, author = {Basu, Sudipta and Harfouche, Rania and Soni, Shivani and Chimote, Geetanjali and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article { ISI:000266529600001, title = {Nanoscale particles for polymer degradation and stabilization-trends and future perspectives}, journal = {Progress in Polymer Science}, volume = {34}, number = {6}, year = {2009}, month = {JUN}, pages = {479-515}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The field of nanoscience and nanotechnology is extending the applications of physics, chemistry, biology, engineering and technology into previously unapproached infinitesimal length scales. The polymer-nanoparticles/nanocomposites have been the exponentially growing field of research for developing the materials in last few decades and have been mainly focusing on the structure-property relationships and their development. Since the polymer-nanocomposites have been the staple of modern polymer industry, their durability under various environmental conditions and degradability after their service life are also essential fields of research. Thus, this article is intended to review the status of worldwide research in this aspect. Among various nanoparticulates, clay minerals and carbon nanotubes are more often used in enhancing physical, mechanical and thermal properties of polymers. In very few systems, the nano particulates have been incorporated into polymer as {\textquoteleft}nano-additives{\textquoteright} for both purposes: degradation and stabilization of polymers. The degradation and durability of polymers is reviewed in the presence of nanoparticles/nanocomposites under different environmental conditions. Nanoparticle-induced biodegradation of polymers is also discussed. (c) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon nanotubes, clay, Degradation and stabilization, Nanocomposites, Nanoparticles, Polymer}, issn = {0079-6700}, doi = {10.1016/j.progpolymsci.2009.01.002}, author = {Kumar, Annamalai Pratheep and Depan, Dilip and Tomer, Namrata Singh and Singh, Raj Pal} } @article { ISI:000266524700010, title = {Nanostructured nickel ferrite: a liquid petroleum gas sensor}, journal = {Ceramics International}, volume = {35}, number = {5}, year = {2009}, month = {JUL}, pages = {1793-1797}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The present investigation deals with the synthesis of nanostructured nickel ferrite (NiFe(2)O(4)) and their liquid petroleum gas-sensing characteristics. The 15-20 nm size nickel ferrite has been synthesized at 700 degrees C by a simple molten-salt route using sodium chloride as grain growth inhibitor. These nanoparticles exhibit significantly high response towards liquid petroleum gas (LPG) in comparison with ethanol vapor, hydrogen sulfide, ammonia and hydrogen. The gas response towards various gases at their 200 ppm concentrations is investigated at 200-450 degrees C. Different characterization techniques have been employed, such as differential thermal analysis, X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high resolution transmission electron microscopy (HRTEM) to study the crystallite size, structure and morphology. The results suggest possibility of utilization of the nanostructured nickel ferrite, without addition of any precious metal ion, as the LPG detector. (c) 2008 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {Ferrites, nanomaterial, Sensor, Spinels}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2008.10.013}, author = {Darshane, Sonali L. and Suryavanshi, S. S. and Mulla, Imtiaz S.} } @article { ISI:000271819300006, title = {Natural yeast flora of different varieties of grapes used for wine making in India}, journal = {Food Microbiology}, volume = {26}, number = {8}, year = {2009}, month = {DEC}, pages = {801-808}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {
The natural Saccharomyces and non-Saccharomyces yeast flora present on the grape berries significantly affect wine production. Six grape varieties, Bangalore blue, Zinfandel, Cabernet, Chenin Blanc, Sauvignon Blanc and Shiraz are being used in India for wine making. The yeast diversity was studied on the basis of morphological, colony, physiological characteristics and 5.8S-ITS sequencing of rDNA of the isolates. Eleven different species belonging to seven genera were identified as: Candida azyma, Candida quercitrusa, Debaryomyces hansenii, Hanseniaspora guilliermondii, Hanseniaspora viniae, Hanseniaspora uvarum. Issatchenkia orientalis, Issatchenkia terricola, Pichia membranifaciens, Saccharomyces cerevisiae and Zygoascus steatolyticus. H. guilliermondii was the predominant species while S. cerevisiae was observed occasionally in the six vine varieties. For the first time, C. azyma was isolated from Bangalore blue and Cabernet varieties grown in different localities. This association may be attributed to the change in cropping pattern from sugarcane to viticulture in the vine growing regions and the known association of C. azyma with sugarcane phylloplane. Further analysis of the indigenous strains and the qualitative and quantitative changes in the flora during fermentation will be useful to understand wine quality and to design preservation strategies to control wine spoilage. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {5.8S-ITS sequence, Identification, Physiological, Wine yeasts}, issn = {0740-0020}, doi = {10.1016/j.fm.2009.05.005}, author = {Chavan, Pradnya and Mane, Sarika and Kulkarni, Girish and Shaikh, Shamim and Ghormade, Vandana and Nerkar, Devidas P. and Shouche, Yogesh and Deshpande, Mukund V.} } @article { ISI:000263365600013, title = {NC palladacycles in the Heck arylation of ethylene: synthesis, structure and their reactivity}, journal = {Journal of Organometallic Chemistry}, volume = {694}, number = {5}, year = {2009}, month = {MAR}, pages = {683-690}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Monomeric cyclopalladated complexes with NC coordination using ligands 2-phenylpyridine, 2-phenylquinoline, 8-methylquinoline have been synthesized and the structures have been determined by single crystal X-ray structure analysis. The crystal structures of monomeric palladacycles prepared using benzophenone oxime, and 2-phenylpyridine have also been determined. The use of these complexes in the Heck arylation of ethylene with 2-bromo-6-methoxynaphthalne (BMN) to give 2-vinyl-6-methoxynapthalene which is an intermediate for the synthesis of anti-inflammatory drug Naproxen has been examined and also arylation of ethylene with 3-bromo-benzophenone and 4-bromo-isobutylbenzene was investigated. These palladacycles with NC coordination show excellent catalytic activity with a TOF \> 4000 h (1). (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {alpha-Aryl propionic acids, Arylation, Palladacycle}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2008.11.065}, author = {Atla, Shashi B. and Kelkar, Ashutosh A. and Puranik, Vedavati G. and Bensch, Wolfgang and Chaudhari, Raghunath V.} } @article {42457, title = {N-heterocyclic carbene-catalyzed hydroacylation of unactivated double bonds}, journal = {Journal of the American Chemical Society}, volume = {131}, year = {2009}, month = {SEP}, pages = {14190{\textendash}14191}, abstract = {
An intramolecular N-heterocyclic carbene (NHC)-catalyzed hydroacylation of unactivated double bonds is reported. Systematic variation of the catalyst structure revealed an N-mesitylthiazolylidene annulated with a seven-membered ring to be especially reactive. This NHC enables a unique C-C bond-forming reaction to afford substituted chroman-4-ones in moderate to excellent yields, even ones containing all-carbon quaternary centers.
}, doi = {10.1021/ja906361g}, author = {Hirano, Keiichi and Biju, Akkattu T. and Piel, Isabel and Glorius, Frank} } @article { ISI:000266447600055, title = {Nitric oxide reduction with ethanol on palladium surfaces: a molecular beam study}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {22}, year = {2009}, month = {JUN}, pages = {9814-9819}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Nitric oxide (NO) reduction with ethanol has been carried out with molecular beam instruments in order to understand the influence of ethanol blended gasoline on NO reduction. Maximum NO reduction and nitrogen production was observed between 500 and 600 K. Oxidation products, CO, CO(2), and H(2)O were also observed. Beam switching experiments have been performed between fuel-rich and fuel-lean compositions to demonstrate that the NO reduction can be managed under net oxidizing conditions on Pd surfaces. Nitrogen production only occurs transiently on the relatively clean Pd surface in the oxygen-rich condition due to slow build up and blockage of the reaction by surface oxygen atoms. This shows the need to maintain relatively oxygen free surfaces to manage NO reduction under net-oxidizing conditions by beam oscillation between fuel-rich and fuel-lean compositions.
}, issn = {1932-7447}, doi = {10.1021/jp902017c}, author = {Nagarajan, Sankaranarayanan and Thirunavukkarasu, Kandasamy and Gopinath, Chinnakonda S. and Counsell, Jonathan and Gilbert, Lee and Bowker, Michael} } @article { ISI:000269310700020, title = {Non-templated hydrothermal growth of anisotropic magnetite nanostructures using hexamine as the directing agent}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {10}, year = {2009}, month = {OCT}, pages = {5823-5828}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Anisotropic growth of magnetite (Fe(3)O(4)) nanoparticles is achieved in a hydrothermal growth process using hexamine to play a dual role of oxide forming and directing agent. The samples are characterized by X-ray diffraction, scanning electron microscopy, high resolution transmission electron microscopy, squid magnetometry, ferromagnetic resonance technique, diffuse reflectance spectroscopy and Mossbauer spectroscopy, which collectively establish the formation of Fe(3)O(4) phase. Anisotropic structures such as nanorods and nanotubules are revealed and these are shown to exhibit good humidity sensing properties.
}, keywords = {Anisotropic Nanostructures, Hexamine, hydrothermal, magnetite, Mossbauer}, issn = {1533-4880}, doi = {10.1166/jnn.2009.1244}, author = {Bhagwat, S. V. and Jouen, Samuel and Kundaliya, D. C. and Singh, H. and Jagadale, Tushar C. and Athawale, A. A. and Lofland, S. E. and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000263423600001, title = {Novel allylic phosphonium salts in free radical accelerated cationic polymerization}, journal = {Polymer Bulletin}, volume = {62}, number = {3}, year = {2009}, month = {MAR}, pages = {271-280}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
In the present study, the synthesis and evaluation of novel allylic phosphonium salts as addition fragmentation agents in combination of conventional (photo-/thermal) free radical source for cationic polymerization are described. The amide based allylic phosphonium salts, namely 2-(N, N-dimethylcaboxy-propenyl) triphenylphosphonium hexafluoroantimonate (DMTPH) and 2-(morpholinocarboxy-propenyl) triphenyl phosphonium hexafluoroantimonate (MTPH) were synthesized and characterized. The thermal and photo-latency of these salts was examined with and without free radical sources in bulk polymerization of cyclohexene oxide (CHO) salts at 70 A degrees C and lambda \> 290 nm irradiation, respectively. In presence of thermal free radical source, the order of activity was observed as PAT \> BPO \> AIBN. The order of activity of free radical sources on photopolymerization was found to be benzoin \> benzophenone \> TMDPO. In addition, photopolymerization of other cationically polymerizable monomers (such as n-butyl vinyl ether, isobutyl vinyl ether, N-vinyl carbazole and glycidyl phenyl ether) was also examined at lambda \> 290 nm irradiation. It is concluded that the rate of cationic polymerization can be accelerated using novel phosphonium salts with combination of free radical sources, by both thermal and photochemical mode.
}, keywords = {Addition fragmentation agent, Cationic polymerization, Initiator, phosphonium salt, Photopolymerization}, issn = {0170-0839}, doi = {10.1007/s00289-008-0014-y}, author = {Gupta, Mukesh Kumar and Singh, Raj Pal} } @article { ISI:000265422100069, title = {Novel dibenzocycloheptenyl phosphonium salts as thermolatent initiator in cationic polymerization}, journal = {Journal of Applied Polymer Science}, volume = {112}, number = {6}, year = {2009}, month = {JUN}, pages = {3707-3713}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
In this study, novel thermolatent cationic initiators based on dibenzocycloheptenyl phosphonium salts (1a, 1b, 1c, 1d, 2a, and 3a) were synthesized and their efficiency was examined in bulk polymerization of glycidyl phenyl ether (GPE). The polymerization of GPE was performed with 1 mol \% of dibenzocycloheptenyl triphenylphosphonium salts (1a-1d) with different counter anions (SbF(6)(-), PF(6)(-), AsF(6)(-), and BF(4)(-)) at 25-200 degrees C for 1 h. The order of initiator activity was found as 1a \> 1d \> 1b \> 1c. To examine the effect of phosphine moiety, the activity of la was compared with dibenzocycloheptenyl-tri-n-butylphosphonium hexafluoroantimonate (2a). The order of initiator activity was observed as 1a \> 2a. The initiator activity of la was compared with that of 10,11-dihydro-dibenzocycloheptenyltriphenylphosphonium hexafluoroantimonate (3a) to understand the effect of extended conjugation in dibenzocycloheptenyl ring. In general, with the increase in the polymerization temperature, conversion (\%) also increases. The solubility of initiators in various solvents and epoxy monomers was also examined. (C) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 112: 3707-3713, 2009
}, keywords = {Cationic polymerization, glycidyl phenyl ether, initiators, phosphonium salt, thermolatent}, issn = {0021-8995}, doi = {10.1002/app.29518}, author = {Gupta, Mukesh Kumar and Singh, Raj Pal} } @article { ISI:000264925400047, title = {Novel electroless process for copper coating of flyash using titania/ultraviolet-radiation/metal catalyst-system}, journal = {Applied Surface Science}, volume = {255}, number = {13-14}, year = {2009}, month = {APR}, pages = {6696-6704}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A novel electroless process has been demonstrated in this investigation to coat the surface of flyash particles with a conducting metal such as copper. The conventional electroless process has been modified for this purpose by replacing the tin-palladium catalyst-system with the titania/ultraviolet-radiation/metal catalyst-system, where the metal is either copper or silver as demonstrated here. The mechanism of copper coating of flyash particles in an electroless bath, using the novel methods of surface-sensitization and surface-activation, has been systematically studied by monitoring changes in the surface-morphology, surface-chemistry, and surface-structure of flyash particles using the scanning electron microscope, energy dispersive analysis of X-rays, X-ray photoelectron spectroscope, and X-ray diffraction. It has been revealed that the novel electroless method involves coating the flyash particles with titania photocatalyst via sol-gel, which acts as a surface-sensitizer under the ultraviolet-radiation exposure for the subsequent surface-activation with the copper- or silver-clusters. The latter in turn acts as surface-catalyst for the subsequent Cu-coating in an electroless bath. The proposed mechanism of surface-sensitization and surface-activation of flyash particles using the novel catalyst-system has been compared with that using the conventional catalyst-system. (C) 2009 Elsevier B. V. All rights reserved.
}, keywords = {Copper, Electroless, Flyash, Photocatalysis, sol-gel, titania}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2009.02.066}, author = {Shijitha, T. and Baiju, K. V. and Shukla, S. and Patil, K. and Warrier, K. G. K.} } @article { ISI:000266674700038, title = {Novel foldamer structural architecture from cofacial aromatic building blocks}, journal = {Chemical Communications}, number = {23}, year = {2009}, month = {MAY}, pages = {3446-3448}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This communication demonstrates the utility of peri-substituted 1,8-diphenylnaphthalene as an effective building block for the construction of novel conformationally ordered synthetic oligomers displaying cofacial structural features.
}, issn = {1359-7345}, doi = {10.1039/b822113h}, author = {Prabhakaran, Panchami and Puranik, Vedavati G. and Chandran, Jima N. and Rajamohanan, Pattuparampil R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000263218700025, title = {Novel synthesis of coumarins employing triphenyl(alpha-carboxymethylene)-phosphorane imidazolide as a C-2 synthon}, journal = {Tetrahedron Letters}, volume = {50}, number = {2}, year = {2009}, month = {JAN}, pages = {236-238}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A novel one-pot synthesis of coumarins via intramolecular Wittig cyclization from the reaction of phenolic compounds containing ortho-carbonyl group and triphenyl(alpha-carboxy methylene)phosphorane imidazolide is described. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Carbonyldiimidazole, Coumarins, Intramolecular Wittig reaction, Phenolic compound, Phosphorane}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.10.133}, author = {Upadhyay, Puspesh K. and Kumar, Pradeep} } @article { ISI:000273174300036, title = {Novel/conceptual floating pulsatile system using high internal phase emulsion based porous material intended for chronotherapy}, journal = {AAPS Pharmscitech}, volume = {10}, number = {4}, year = {2009}, month = {DEC}, pages = {1368-1380}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The aim of the present study was to design a novel/conceptual delivery system using ibuprofen, anticipated for chronotherapy in arthritis with porous material to overcome the formulation limits (multiple steps, polymers, excipients) and to optimize drug loading for a desired release profile suitable for in vitro investigations. The objective of this delivery system lies in the availability of maximum drug amount for absorption in the wee hours as recommended. Drug loading using 3(2) factorial design on porous carrier, synthesized by high internal phase emulsion technique using styrene and divinylbenzene, was done via solvent evaporation using methanol and dichloromethane. The system was evaluated in vitro for drug loading, encapsulation efficiency, and surface characterization by scanning electron, atomic force microscopy, and customized drug release study. This study examined critical parameters such as solvent volume, drug amount, and solvent polarity on investigations related to drug adsorption and release mostly favoring low-polarity solvent dichloromethane. Overall release in all batches ranged 0.98-52\% in acidic medium and 71-94\% in basic medium. These results exhibit uniqueness in achieving the least drug release of 0.98\%, an ideal one, without using any release modifiers, making it distinct from other approaches/technologies for time and controlled release and for chronotherapy.
}, keywords = {chronotherapy, floating pulsatile drug delivery system, high internal phase emulsion, ibuprofen, multiparticulate porous carriers}, issn = {1530-9932}, doi = {10.1208/s12249-009-9331-1}, author = {Sher, Praveen and Ingavle, Ganesh C. and Ponrathnam, Surendra and Benson, James R. and Li, Nai-Hong and Pawar, Atmaram P.} } @article { ISI:000263073800056, title = {N,S-Co-doped TiO2 Nanophotocatalyst: synthesis, electronic structure and photocatalysis}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {1, SI}, year = {2009}, month = {JAN}, pages = {423-432}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
N,S-co-doped anatase-phase TiO2 (N,S-TiO2) nanophotocatalysts were prepared from either benzothiazoline or aminothiol with titanium isopropoxide followed by a systematic thermal decomposition. The chemical nature of S and N in N,S-TiO2 have been identified by XPS to be sulfate and NO-like, respectively. A significant band broadening and red-shift in the UV-visible absorption spectrum of N,S-TiO2 suggests a band gap reduction compared to TiO2. A maximum band-gap narrowing of 0.22 +/- 0.02 eV was observed on N,S-TiO2. Higher energy width observed on N,S-TiO2 is in contrast to 0.13 eV from N-doped TiO2 indicating the sulfate-like species might play a major role in narrowing the band-gap to a Higher level. It is confirmed that the oxidation of N and S to NO and SO42- occurs in the final stage of preparation of N,S-TiO2, during calcination in air. It is predicted that the oxygen associated with sulfate and NO structural features could be crucial in bringing down the energy gap and red shift in optical absorption and the role of sulfur is to facilitate the above. Photocatalytic decomposition of methylene blue has been carried out on N,S-TiO2 shows higher activity than the commercial TiO2 in the visible region. However, sulfate species seems to enhance the activity of N,S-TiO2 marginally compared to N-TiO2, and possible suggestions are given to improve the same.
}, keywords = {nitrogen, Photocatalyst, Sulfur, TiO2, Visible Light Absorption}, issn = {1533-4880}, doi = {10.1166/jnn.2009.J095}, author = {Sathish, M. and Viswanath, R. P. and Gopinath, Chinnakonda S.} } @article { ISI:000272871400006, title = {N-substitution of polybenzimidazoles: synthesis and evaluation of physical properties}, journal = {European Polymer Journal}, volume = {45}, number = {12}, year = {2009}, month = {DEC}, pages = {3363-3371}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Series of N-substituted polybenzimidazoles (PBI) were synthesized using selective alkyl groups with varying bulk and flexibility, viz., methyl, n-butyl, methylene trimethylsilane and 4-tert-butylbenzyl. PBl-I based on 3,3{\textquoteright}-diaminobenzidine (DAB) and isophthalic acid and PBI-Bul based on DAB and 5-tert-butyl isophthalic acid were chosen for N-substitution. Structural characterizations of substituted polymers by FT-IR and (1)H NMR revealed elimination of hydrogen bonding. Evaluation of their physical properties revealed that N-substitution rendered better solvent solubility in common organic solvents, more open polymer matrix, but reduced thermal properties in comparison to their respective parent PBI. 4-tert-butylbenzyl, methylene trimethylsilane or n-butyl group substituted polymers were soluble even in chlorinated solvents (CHCl(3) and TCE). Substantial variations in gas permeability of inert gases, He and Ar and attractive P(He)/P(Ar) selectivity, especially after methyl group substitution depicted potential of these materials for gas separation. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Gas permeation, hydrogen bonding, N-Substitution, Polybenzimidazole}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2009.10.006}, author = {Kumbharkar, Santosh C. and Kharul, Ulhas K.} } @article { ISI:000272010100009, title = {Optical investigations of interaction between zinc tetra phenyl porphyrin and CdSe nanoparticles}, journal = {Chemical Physics Letters}, volume = {483}, number = {4-6}, year = {2009}, month = {DEC}, pages = {227-232}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Interactions between nanoparticles of zinc tetra phenyl porphyrin (ZnTPP) with CdSe nanoparticles in dimethyl sulphoxide solvent have been investigated. A ZnTPP-CdSe complex was formed which showed substantial changes in the UV-Vis absorption spectra in the presence of CdSe. Fluorescence measurements showed an interesting behavior at low as well as high concentrations of CdSe. When low concentrations of CdSe nanoparticles were added to the ZnTPP nanoparticles solution, besides two fluorescence bands due to ZnTPP nanoparticles, an intense new band appeared. On the other hand at high concentrations of CdSe one of the fluorescence band of ZnTPP at similar to 604 nm increased. (C) 2009 Published by Elsevier B. V.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2009.10.074}, author = {Lihitkar, N. B. and Singh, S. B. and Singh, Jai and Srivastava, O. N. and Naik, R. H. and Kulkarni, S. K.} } @article { ISI:000272797200013, title = {Optical limiting properties of hydrophobic poly(etherimide) membranes embedded with isolated and aggregated gold nanostructures}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {352}, number = {1-3}, year = {2009}, month = {DEC}, pages = {79-83}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple method to incorporate spherical or aggregated nanostructures of gold into hydrophobic poly(etherimide) membranes is demonstrated and their comparative nonlinear optical properties are investigated. When excited at 532 nm using laser pulses of 7 ns duration, a reduced transmission behaviour in both the cases, viz., polymers embedded with isolated nanoparticles and their aggregates is observed. This fits to a three-photon type nonlinear absorption process and is attributed to excited state absorption occurring in the nanostructures. Interestingly, the nonlinearity is more prominent in the aggregated nanostructures compared to the spherical nanostructures. These materials are potential candidates for optical limiting applications. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {gold nanoparticles, Nanoparticle aggregation, Nonlinear optical properties, Optical limiting, Phase transfer, Polymer nanocomposites}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2009.10.002}, author = {D{\textquoteright}Britto, Virginia and Sandeep, C. S. Suchand and Philip, R. and Bhagavatula L. V. Prasad} } @article { ISI:000268233800070, title = {Optoelectronic photoinduced charge transfer system with mu 3PhN-Ru-3 cluster functionalized single-walled carbon nanotubes}, journal = {Journal of Materials Chemistry C}, volume = {113}, number = {30}, year = {2009}, month = {JUN}, pages = {13403-13408}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Optoelectronic photoinduced charges have been attracting great attention lately in view of their applicability to diverse optoelectronic device systems. Here, we report the design and implementation of a charge transfer system based on triruthenium (Ru) cluster compounds on viologen modified single-walled carbon nanotubes (V-SWNTs) by an in situ preparation method. We examine the photoinduced (intensity dependent and temporal) changes in the transport properties of the Ru-cluster functionalized V-SWNT coating and identify the possible charge transfer mechanism. Furthermore, we demonstrate the applicability of such Ru-cluster functionalized V-SWNT films to photoelectrochemical cells.
}, issn = {1932-7447}, doi = {10.1021/jp901683g}, author = {Lee, Wonjoo and Koo, Gumae and Ogale, Satishchandra B. and Han, Sung-Hwan} } @article {42580, title = {Organic memory and electrical bistability in a quinone {\textendash}based charge transfer complex}, journal = {Proceedings of the IEEE}, volume = {97}, year = {2009}, month = {AUG}, abstract = {
We present an overview of the issues of organic memory devices and discuss the mechanisms involved in conductance switching. To make the memory elements addressable, we introduce nanostructures of a quinone-based charge-transfer complex. The devices based on charge-transfer complexes exhibit electrical bistability. Apart from characterizing complex formation, we study characteristics of memory devices based on the complexes. The mechanism of bistability has been discussed in terms of electroreduction of the quinone derivative with the formation of a percolating network of conducting molecules or channels across the device. Depending on the device architecture, a device may exhibit memoryswitching or threshold-switching phenomenon. The former system has displayed read-only and random-access memory applications.
}, doi = {10.1109/JPROC.2009.2021962}, author = {Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000270126100012, title = {Organocatalytic enantioselective synthesis of beta-blockers: (S)-propranolol and (S)-naftopidil}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {15}, year = {2009}, month = {AUG}, pages = {1767-1770}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient enantioselective synthesis of beta-adrenergic blockers (S)-propranolol and (S)-naftopidil with \> 98\% ee using an L-proline-catalyzed alpha-aminoxylation of an aldehyde as a key step is described. (c) 2009 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.07.002}, author = {Panchgalle, Sharad P. and Gore, Rohitkumar G. and Chavan, Subhash P. and Kalkote, Uttam R.} } @article { ISI:000265933700042, title = {Origin of high room temperature ferromagnetic moment of nanocrystalline multiferroic BiFeO3}, journal = {Applied Physics Letters}, volume = {94}, number = {18}, year = {2009}, month = {MAY}, pages = {182507}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Single phase nanocrystalline BiFeO3 of average crystallite size similar to 25 nm with very high magnetization at room temperature is synthesized by an autocombustion method. Magnetic measurements above room temperature show deviation between field cooled and zero field cooled magnetization below 645 K, the Neel temperature (T-N) of the bulk material, indicating intrinsic nature of ferromagnetism. However, observation of a broad magnetic transition above T-N of BiFeO3 and extended up to 800 K suggests the presence of Fe3O4 as a possible magnetic impurity phase. Evidence for the presence of Fe3O4 is obtained from detailed analysis of the powder x-ray diffraction pattern.
}, keywords = {bismuth compounds, Combustion synthesis, crystallites, ferromagnetic materials, high-temperature effects, magnetic impurities, Magnetic moments, Magnetisation, Multiferroics, Nanostructured materials, Neel temperature, X-ray diffraction}, issn = {0003-6951}, doi = {10.1063/1.3132586}, author = {Vijayanand, S. and Potdar, H. S. and Joy, Pattayil Alias} } @article { ISI:000272083700044, title = {Orthogonal activation of propargyl and n-pentenyl glycosides and 1,2-orthoesters}, journal = {Journal of Organic Chemistry}, volume = {74}, number = {23}, year = {2009}, month = {DEC}, pages = {9233-9236}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An orthogonal activation strategy with propargyl and n-pentenyl glycosides has been identified. According to this methodology, n-pentenyl glycosides can be selectively activated with NIS/TMSOTf in the presence of either armed or disarmed propargyl O-glycosides. In addition, we report herein that propargyl 1,2-orthoesters can be selectively activated with AuBr(3) in CH(2)Cl(2) at room temperature in the presence of n-pentenyl glycosides. Similarly, pentenyl 1,2-orthoesters can be selectively activated with NIS/Yb(OTf)(3) in the presence of propargyl glycosides.
}, issn = {0022-3263}, doi = {10.1021/jo901837z}, author = {Vidadala, Srinivasa Rao and Thadke, Shivaji A. and Hotha, Srinivas} } @article { ISI:000271103500016, title = {Oxidation of benzyl alcohol to benzaldehyde by tert-butyl hydroperoxide over nanogold supported on TiO2 and other transition and rare-earth metal oxides}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9471-9478}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Liquid-phase oxidation of benzyl alcohol to benzaldehyde by tertiary butyl hydroperoxide (at 95 degrees C) over nanogold supported oil TiO2 and other transition-metal oxides (viz, MnO2, Fe2O3, CoOx, NiO, CuO, ZnO, and ZrO2) or rare-earth oxides (viz, La2O3, Sm2O3, Eu2O3, and Yb2O3) by the homogeneous deposition-precipitation (HDP) method has been investigated. The Au/TiO2 catalyst, prepared using the HDP method, showed high activity and selectivity in the reaction. The ZrO2-Supported nanogold catalyst (HDP) also showed very good performance. The Au/TiO2 catalyst that was prepared using the deposition-precipitation (DP) method, however, showed poor catalytic activity, mostly because of its much-lower gold loading and/or lower Au3+/Au-0 ratio. Irrespective of the catalyst preparation method, the catalytic activity increased as the gold loading increased. The gold deposition method strongly influenced the amount of gold that was deposited on TiO2, the gold particle size distribution, and also the surface Au3+/Au-0 ratio; using the HDP method, the gold deposition was much larger, the gold particle size was smaller, the gold particle size distribution was much narrower, and the Au3+/Au-0 ratio was higher. Both the metallic and ionic gold species (Au-0 and Au3+) are present in the Au/TiO2 catalyst. However, the Au3+ species are mostly responsible for the high catalytic activity in the oxidation process.
}, issn = {0888-5885}, doi = {10.1021/ie801883d}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Bhargava, Suresh Kumar} } @article { ISI:000263491600003, title = {Oxidative kinetic resolution of alcohols using chiral Mn-salen complex immobilized onto ionic liquid modified silica}, journal = {Applied Catalysis A-General}, volume = {354}, number = {1-2}, year = {2009}, month = {FEB}, pages = {17-25}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The supported ionic liquid strategy has been applied for the immobilization of chiral Mn(III) salen complex onto ionic liquid modified silica. Chiral Mn(III) salen complex was immobilized over silica through a thin film of covalently anchored imidazolium ionic liquid. These catalysts were characterized by N(2) sorption, XRD, MR, DRUV-vis, and elemental analysis. The results showed that the chiral Mn(III) salen complex could be successfully immobilized onto the modified mesoporous materials and that the long-range mesoporous ordering of parent supports was maintained after the immobilization. The immobilized catalyst provided good enantioselectivity and activity in the heterogeneous catalysis of the oxidative kinetic resolution of secondary alcohol and can be recovered and recycled for four times without obvious loss of enantioselectivity and activity. Oxidative kinetic resolutions of meso-diols, hydroxyl ester and primary alcohol were also studied using this catalyst system. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Mesoporous silica, Mn(III) salen, Oxidative kinetic resolution, Secondary alcohol, Supported ionic liquid}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.10.039}, author = {Sahoo, Suman and Kumar, Pradeep and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000264095500002, title = {Parametric dependence studies on cracking of clay}, journal = {Physica A-Statistical Mechanics and its Applications}, volume = {388}, number = {8}, year = {2009}, month = {APR}, pages = {1352-1358}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We have studied the shrinkage-crack patterns formed in the process of drying of clay/water slurries employing simple laboratory experiments. Both isotropic and directional drying was studied. The objective has been to examine the correlation between the solvent, materials parameters and the crack patterns. Attempt is made to fit the observations to specific models. The dynamics of the pattern formation process and the geometric properties of the crack patterns are found to be in conformity with the hydrodynamic model by Lee and Routh [W.P. Lee, A.F. Routh, Langmuir 20 (2004) 9887]. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {clay, Cracks pattern, Hydrodynamic model}, issn = {0378-4371}, doi = {10.1016/j.physa.2008.12.039}, author = {Pasricha, Kanika and Wad, Uday and Pasricha, Renu and Ogale, Satishchandra} } @article { ISI:000264627400028, title = {Pd(II)-mediated alkynediol spiroketalization: first total synthesis of (-)-cephalosporolide E and (+)-cephalosporolide F}, journal = {Journal of Organic Chemistry}, volume = {74}, number = {7}, year = {2009}, month = {APR}, pages = {2842-2845}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Herein we describe a concise assembly of the central 1.6-dioxaspiro[4.4]nonane core of cephalosporolides E/F by employing a Pd-mediated alkynediol cycloisomerization and their total synthesis. On the basis of spectroscopic data and optical rotation values, the absolute configurations of cephalosporolides E/F were proposed.
}, issn = {0022-3263}, doi = {10.1021/jo802539z}, author = {Ramana, C. V. and Suryawanshi, Sharad B. and Gonnade, Rajesh G.} } @article { ISI:000268508900011, title = {Pd-mediated intramolecular ketalization of alkynediols: construction of the central [3.2.1]-bicyclic ketal core of cyclodidemniserinol trisulfate}, journal = {Tetrahedron Letters}, volume = {50}, number = {34}, year = {2009}, month = {AUG}, pages = {4844-4847}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A preliminary study dealing with the Pd-mediated alkynediol cycloisomerization to construct the central bicyclic ketal core of cyclodidemniserinol trisulfate is documented. (c) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Alkynol cycloisomerization, Bridged bicyclic ketal, Cyclodidemniserinol trisulfate, Yamaguchi oxirane-alkyne coupling}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.06.023}, author = {Ramana, C. V. and Mallik, Rosy and Sahoo, Gokarneswar} } @article { ISI:000266094300033, title = {Phase behavior of hydrogenation of 2-tert-butylphenol over a charcoal-supported rhodium catalyst in carbon dioxide solvent}, journal = {Journal of Chemical and Engineering Data}, volume = {54}, number = {5}, year = {2009}, month = {MAY}, pages = {1610-1612}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Catalytic hydrogenation of 2-tert-butyl phenol over a charcoal-supported rhodium catalyst in carbon dioxide solvent at 313 K was studied in a batch reactor. To elucidate the effect of carbon dioxide pressure on the initial rate of reaction, the phase behavior of the ternary (2-tert-butylphenol-carbon dioxide-hydrogen) system was separately observed with a view cell, and the calculations of vapor-liquid equilibrium and compositions in the vapor and liquid phases inside the reactor were carried out using the Peng-Robinson equation of state. The hydrogenation behavior in the carbon dioxide solvent is discussed based on the phase behavior of the ternary system.
}, issn = {0021-9568}, doi = {10.1021/je800932w}, author = {Hiyoshi, Norihito and Masuda, Yoshio and Sato, Osamu and Yamaguchi, Aritomo and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article { ISI:000264437500025, title = {Photocatalytic mineralization of benzene over gold containing titania nanotubes: role of adsorbed water and nanosize gold crystallites}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {144-151}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Well aligned titania nanotubes, with surface area of similar to 150 m(2) g(-1) and average pore diameter of similar to 5 nm, have been synthesized by subjecting a mesoporous TiO(2) sample to alkaline treatment followed by calcination at different temperatures. Composite catalysts with gold particles dispersed in these nanotubes were also synthesized and their structural, morphological, optical and photocatalytic properties were examined. The catalytic activity of TiO(2) for UV-mediated photo-oxidation of benzene was found to be affected by several factors, such as the sample texture. presence of adsorbed water and gold crystallites. The overall conversion of benzene to form CO(2) followed a trend: Au/nanotube \> TiO(2) nanotubes \> mesoporous TiO(2). In situ IR spectroscopy revealed that the adsorption and reaction of benzene molecules gave rise to formation of certain phenolic species over TiO(2), while the temperature-programmed desorption (TPD) study showed that the Au/TiO(2) interfaces serve as distinct sites for the adsorption and activation of oxygen molecules. It is suggested that certain hydroxyl and oxygen ion radicals produced under UV-irradiation may promote the deep oxidation of surface phenolic species and phenoxyl (ArO center dot) type transient radicals. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Benzene degradation, Gold containing, Photocatalyst, Role of adsorbed water, TiO(2) nanotubes, Transient species}, issn = {0920-5861}, doi = {10.1016/j.cattod.2008.04.008}, author = {Awate, S. V. and Sahu, R. K. and Kadgaonkar, Mahesh D. and Kumar, R. and Gupta, N. M.} } @article { ISI:000267416000001, title = {Photodegradation of EPDM/MWCNT nanocomposites: effect of singlet oxygen}, journal = {Polymer Composites}, volume = {30}, number = {7}, year = {2009}, month = {JUL}, pages = {855-860}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
The photo-oxidation of ethylene propylene diene monomer (EPDM)/multiwall carbon nanotubes (MWCNT) nanocomposites has been studied under accelerated UV-irradiation (lambda \>= 290 nm) in the presence of singlet oxygen. The rate of photodegradation of EPDM/MWCNT is found to be higher when compared to the pristine polymer in presence of singlet oxygen. The enhancement of the rate of degradation of composite has been described through [2 + 2] photocycloaddition reaction between singlet oxygen and double bonds on composite which is followed by cleavage. The rate of degradation and the formation of new functional groups on the composite has been monitored by FTIR spectroscopy and found to be increased with irradiation time. The changes in surface morphology have been studied by scanning electron microscope. Differential scanning calorimetry measurements revealed an increase in the glass transition temperature of photodegraded EPDM and EPDM/MWCNT nanocomposites. POLYM. COMPOS., 30:855-860, 2009. (C) 2008 Society of Plastics Engineers
}, issn = {0272-8397}, doi = {10.1002/pc.20646}, author = {Kumar, Bijandra and Kumar, Indresh and Singh, R. P.} } @article { ISI:000269139900042, title = {Photoluminescence and gas sensing study of nanostructured pure and Sn doped ZnO}, journal = {Materials Science \& Engineering C-Biomimetic and Supramolecular Systems}, volume = {29}, number = {4}, year = {2009}, month = {MAY}, pages = {1317-1320}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The nanostructured pure and Sn doped ZnO have been synthesized by the thermal evaporation technique. The influence of Sri oil the morphology and structure is investigated by using scanning electron microscopy (SEM), X-ray diffraction (XRD) and energy dispersive X-ray (EDX) analysis techniques, The SEM images indicate change in the growth pattern from nanowires of pure ZnO to tetrapods for Sn doped ZnO. Pure ZnO nanowires exhibit selective response towards acetone vapors while on Sri doping the response decreases. The non-stiochiometry and the morphology of ZnO arc probably responsible for such a difference in gas response. However increase in temperature doesn{\textquoteright}t improve the sensing behavior. The photoluminescence (PL) Studies reveal UV emission in pure ZnO which shifts to green emission oil doping of Sri. All rights reserved. (C) 2008 Elsevier B V. All rights reserved.
}, keywords = {Acetone, Gas sensors, Sn doped ZnO}, issn = {0928-4931}, doi = {10.1016/j.msec.2008.09.050}, author = {Navale, Shalaka C. and Mulla, Imtiaz S.} } @article { ISI:000269252700012, title = {Photophysical investigation into the self-organization in pyrene-based urethane methacrylate comb polymer}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {35}, year = {2009}, month = {SEP}, pages = {11887-11897}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A side chain urethane methacrylate polymer with pendant pyrene units was synthesized and investigated for its self-organizing process in solution by UV-vis and fluorescence spectra and in film by scanning electron microscopy (SEM), transmission electron microscopy (TEM), and fluorescence microscopy. The polymer exhibited excimer emission centered at 476 nm, even at very dilute concentrations (10(-6) M) as a consequence of the polymer design with pendant pyrene units on every side chain. A change in aggregation pattern was observed upon increasing the concentration to 10(-4) M. New red-shifted peaks appeared in the UV-vis absorption spectra and the I(E)/I(M) ratio, and the peak I/peak III ratio showed a break around 10(-4) M, suggesting formation of stable ground state aggregates. This was further confirmed by the SEM, TEM, AFM and fluorescence microscope studies, which showed the formation of vesicles in THF and giant spherical aggregates in THF/H(2)O. The change in pattern of aggregate formation with concentration also coincided with a sudden increase in the intensity of the hydrogen bonded urethane N-H peak with concentration as recorded by solution FT-IR studies in THF.
}, issn = {1520-6106}, doi = {10.1021/jp901398e}, author = {Deepak, V. D. and Asha, S. K.} } @article { ISI:000262435000012, title = {Phylogenetic analysis, homology modelling, molecular dynamics and docking studies of caffeoyl-CoA-O- methyl transferase (CCoAOMT 1 and 2) isoforms isolated from subabul (Leucaena leucocephala)}, journal = {Journal of Molecular Modeling}, volume = {15}, number = {2}, year = {2009}, month = {FEB}, pages = {203-221}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Caffeoyl coenzyme A O-methyltransferase (CCoAOMT) is an important enzyme that participates in lignin biosynthesis especially in the formation of cell wall ferulic esters of plants. It plays a pivotal role in the methylation of the 3-hydroxyl group of caffeoyl CoA. Two cDNA clones that code CCoAOMT were isolated earlier from subabul and in the present study; 3D models of CCoAOMT1 and CCoAOMT2 enzymes were built using the MODELLER7v7 software to find out the substrate binding sites. These two proteins differed only in two amino acids and may have little or no functional redundancy. Refined models of the proteins were obtained after energy minimization and molecular dynamics in a solvated water layer. The models were further assessed by PROCHECK, WHATCHECK, Verify_3D and ERRAT programs and the results indicated that these models are reliable for further active site and docking analysis. The refined models showed that the two proteins have 9 and 10 alpha-helices, 6 and 7 beta-sheets respectively. The models were used for docking the substrates CoA, SAM, SAH, caffeoyl CoA, feruloyl CoA, 5-hydroxy feruloyl CoA and sinapyl CoA which showed that CoA and caffeoyl CoA are binding with high affinity with the enzymes in the presence and absence of SAM. It appears therefore that caffeoyl CoA is the substrate for both the isoenzymes. The results also indicated that CoA and caffeoyl CoA are binding with higher affinity to CCoAOMT2 than CCoAOMT1. Therefore, CCoAOMT2 conformation is thought to be the active form that exists in subabul. Docking studies indicated that conserved active site residues Met58, Thr60, Val63, Glu82, Gly84, Ser90, Asp160, Asp162, Thr169, Asn191 and Arg203 in CCoAOMT1 and CCoAOMT2 enzymes create the positive charge to balance the negatively charged caffeoyl CoA and play an important role in maintaining a functional conformation and are directly involved in donor-substrate binding.
}, keywords = {Caffeoyl-CoA 3-O-methyl transferase, docking, Modelling, S-adenosyl homocysteine}, issn = {1610-2940}, doi = {10.1007/s00894-008-0395-8}, author = {Pagadala, Nataraj Sekhar and Arha, Manish and Reddy, P. S. and Kumar, Ranadheer and Sirisha, V. L. and Prashant, S. and Reddy, K. Janardhan and Khan, Bashir Mohammad and Rawal, S. K. and Kishor, P. B. Kavi} } @article { ISI:000270383400068, title = {Physical test of a particle simulation model in a sheared granular system}, journal = {Physical Review E}, volume = {80}, number = {3}, year = {2009}, month = {SEP}, pages = {031305}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
We report a detailed comparison of a slow gravity-driven sheared granular flow with a discrete-element simulation performed in the same geometry. In the experiments, grains flow inside a silo with a rectangular cross section and are sheared by a rough boundary on one side and smooth boundaries on the other sides. Individual grain position and motion are measured using a particle index-matching imaging technique where a fluorescent dye is added to the interstitial liquid which has the same refractive index as the glass beads. The simulations use a Cundall-Strack contact model between the grains using contact parameters that have been used in many other previous studies and ignore the hydrodynamic effects of the interstitial liquid. Computations are performed to understand the effect of particle coefficient of friction, elasticity, contact model, and polydispersity on mean flow properties. We then perform a detailed comparison of the particle fluctuation properties as measured by the displacement probability distribution function and the mean square displacement. All in all, our study suggests a high level of quantitative agreement between the simulations and experiments.
}, issn = {1539-3755}, doi = {10.1103/PhysRevE.80.031305}, author = {Rycroft, Chris H. and Orpe, Ashish V. and Kudrolli, Arshad} } @article { ISI:000264647800005, title = {Physico-chemical, photo-catalytic and O-2-adsorption properties of TiO2 nanotubes coated with gold nanoparticles}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {203}, number = {1}, year = {2009}, month = {MAR}, pages = {24-31}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Gold-containing titania nanotubes (Au/NT) were found to display higher activity for photooxidation of acetaldehyde, as compared to corresponding gold-free nanotubes and also a Degussa P-25 catalyst. Besides CO2 as a major reaction product, small amounts of H-2, CH4, CO, H2O and CH3COOH were also formed, irrespective of the catalyst employed. High-resolution TEM examination showed that most of the gold particles in Au/NT were of 1.5-5 nm size, distributed both within and at outside surface of the nanotubes. Some larger size (10-70 run) clusters were also seen at the external surfaces, particularly in the samples calcined at an elevated temperature. The temperature-programmed desorption measurements revealed that, compared to P-25 TiO2, a significant entrapment of O-2 occurred at two distinct tubular sites of NT samples, corresponding activation energy of desorption (E,) being around 36 and 41 kcal mol(-1). On the other hand, gold nanoparticles in Au/NT served as independent low-energy (E-a = 26 kcal mol(-1)) sites for adsorption/activation of O-2. These adsorptive properties of TiO2 and Au were lost completely on calcination, thus revealing a crucial role played by the particle size. In situ IR spectroscopy results showed that room-temperature exposure to acetaldehyde + air gave rise to a molecularly bound state, i.e. CH3CHOad, over both NT and Au/NTsamples, which in turn transformed quickly to yield certain acetate (CH3COOad-) and formate (HCOOad-) type transient species with the involvement of the surface OH groups. The decomposition and oxidation of these surface species with the help of O-2(-), O-ad and hydroxyl ion radicals (OH-) formed at photo-excited Au/NT interfaces led to the reaction products mentioned above. We conclude that, besides electron-hole charge separation, the adsorptive properties of host matrix and nanosize gold may together play a significant role in deciding the photo-catalytic properties of Au/TiO2. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Acetaldehyde oxidation, Gold co-catalyst, O-2-adsorption, Photo-catalytic activity, TiO2 nanotubes}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2008.12.013}, author = {Malwadkar, Sachin S. and Gholap, Ramkrishna S. and Awate, Shobhana V. and Korake, Prakash V. and Chaskar, Manohar G. and Gupta, Narendra M.} } @article { ISI:000266088200028, title = {Pilot plant study of recovery of lactic acid from ethyl lactate}, journal = {Organic Process Research \& Development}, volume = {13}, number = {3}, year = {2009}, month = {MAY}, pages = {573-575}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Purified lactic acid is used for production of biodegradable polymer. Esterification with ethanol and subsequent hydrolysis in distillation columns to produce purified lactic acid without catalyst has obvious advantages. In this paper, we present a pilot-plant study of ethyl lactate hydrolysis to produce 3.86 kg/h lactic acid (99.85\% purity) using three distillation columns. Simulation of distillation columns at steady state has been carried out, and the results obtained tally with the experimental results of the pilot plant.
}, issn = {1083-6160}, doi = {10.1021/op800312k}, author = {Barve, Prashant P. and Rahman, Imran and Kulkarni, Bhaskar D.} } @article {University Grant Commission (UGC)}, title = {Poly(amide-imide)-silica gel hybrids: synthesis and characterization}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {46}, number = {7}, year = {2009}, month = {MAY}, pages = {PII 909739248}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
{Several poly(amide-imide)-silica gel hybrids containing metal salts were prepared by the sol-gel reaction. Poly(amide-imide)s were prepared by low temperature polycondensation reaction of trimellitic anhydride (TMA) and diisocyanates [
}, keywords = {2, 4-diphenyl thiophene, 5-Bis(4-carboxymethylene phenyl) 3, poly(amide-hydrazide)s, Thermal properties, Yamazaki{\textquoteright}s phosphorylation polycondensation}, issn = {1060-1325}, doi = {10.1080/10601320902797830}, author = {Avadhani, C. V. and Chujo, Y.} } @article { ISI:000265316800007, title = {Polybenzimidazoles tethered with N-Phenyl 1,2,4-triazole units as polymer electrolytes for fuel cells}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {47}, number = {9}, year = {2009}, month = {MAY}, pages = {2289-2303}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Polybenzimidazole (PBI) polymers tethered with N-phenyl 1,2,4-triazole (NPT) groups were prepared from a newly synthesized aromatic diacid, 3{\textquoteright}-(4-phenyl-4H-1,2,4-triazole-3,5-diyl) dibenzoic acid (PTDBA). The obtained polymers show superior thermal and chemical stability and good solubility in many aprotic solvents. The inherent viscosities of all polymers were around 1 dL/g. They exhibit high thermal stability with initial decomposition temperature ranging from 515 to 530 degrees C, high glass transition temperature ranging from 375 to 410 degrees C, and good mechanical properties with tensile stress in the range of 66-98 MPa and modulus 1897-2600 MPa. XRD analysis indicates that these polymers are amorphous in nature. PhysicochemiCal properties such as water and phosphoric acid-uptake, oxidative stability, and proton conductivity of membranes of these polymers have also been determined. The proton conductivity ranged from 4.7 x 10(-3) to 1.8 x 10(-2) S cm(-1) at 175 degrees C in dry conditions. (C) 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 2289-2303, 2009
}, keywords = {fuel cells, Polybenzimidazole, synthesis and characterization, Triazole}, issn = {0887-624X}, doi = {10.1002/pola.23310}, author = {Potrekar, R. A. and Kulkarni, M. P. and Kulkarni, R. A. and Vernekar, S. P.} } @article { ISI:000263332200056, title = {Polyimides based on aromatic diisocyanates containing pendent flexible alkoxy chains and aromatic dianhydrides: synthesis, characterization, and liquid-crystal alignment properties}, journal = {Journal of Applied Polymer Science}, volume = {112}, number = {1}, year = {2009}, month = {APR}, pages = {461-472}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Four new aromatic diisocyanates containing pendent flexible alkoxy chains, namely, 5-butyloxy-1,3-phenylenediisocyanate, 5-octyloxy-1,3-phenylenediisocyanate, 5-dodecyloxy-1,3-phenylenediisocyanate, and 5-hexadecyloxy-1,3-phenylenediisocyanate, were synthesized by Curtius rearrangement of the corresponding 5-alkoxy-1,3-phenylene diacylazides. These diisocyanates were each polycondensed with three commercially available aromatic dianhydrides: 4,4{\textquoteright}-oxydiphthalic anhydride, 3,3{\textquoteright},4,4{\textquoteright}-(hexafluoroisopropylidene) diphthalic anhydride, and 3,3{\textquoteright},4,4{\textquoteright}-benzophenonetetracarboxylic dianhydride-in benzonitrile in the presence of 1,4-dizabicyclo[2.2.2]octane as a catalyst to obtain a series of polyimides with inherent viscosities in the range 0.16-0.43 dL/g. Except for 3,3{\textquoteright},4, 4{\textquoteright}-benzophenonetetracarboxylic dianhydride based polyimides, all of the polyimides were found to be soluble in dichloromethane, m-cresol, 1-methyl-2-pyrrolidinone, tetra-chloroethane, and pyridine either at room temperature or on heating and could be cast into tough, flexible, transparent films from a solution in in-cresol or tetra chloroethane. X-ray diffractograms revealed that the polyimides with longer alkoxy chains had layered structures. The glass-transition temperature of the polyimides containing pendent flexible alkoxy chains were in the range 159-246 degrees C as measured by differential scanning calorimetry. The temperature for the 10\% weight loss of the polyimides was in the range 410-460 degrees C in a nitrogen atmosphere, which indicated good thermal stability. A pretilt angle of 2.97 degrees was observed for the polyimide derived from 5-octyloxy-1,, 3-phenylenediisocyanate and 4,4{\textquoteright}-oxydiphthalic anhydride. (c) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 112: 461-472, 2009
}, keywords = {High performance polymers, polyimides, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.29388}, author = {Sarkar, Anjana and Halhalli, Mahadeo R. and Kulkarni, Arun D. and Wadgaonkar, Prakash P.} } @article { ISI:000269287200036, title = {Polymer crystallization in the presence of {\textquoteleft}{\textquoteleft}sticky{\textquoteright}{\textquoteright} additives}, journal = {Journal of Chemical Physics}, volume = {131}, number = {7}, year = {2009}, month = {AUG}, pages = {074905}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
The effect of {\textquoteleft}{\textquoteleft}sticky{\textquoteright}{\textquoteright} additives (viz., those that have attractive interactions with the polymer) on polymer crystallization, has been investigated by dynamic Monte Carlo (DMC) simulations. Additive-polymer attractive interactions result in a slowing down of the polymer chain diffusivity in the melt state. Our results show that with increasing additive stickiness, polymer crystallinity decreases monotonically, and thinner crystallites form, viz., crystallization is inhibited by the presence of sticky additives. Unusually, the observed {\textquoteleft}{\textquoteleft}specific heat{\textquoteright}{\textquoteright} peak at the phase transition shows nonmonotonic behavior with additive stickiness, and exhibits a maximum for intermediate values of additive stickiness. While the origins of this unexpected behavior are not clear, we show that it correlates with a large interchange between crystalline and amorphous states of the monomers, in the vicinity of the additives. At this intermediate additive stickiness, we also find that crystallization follows a qualitatively different route-crystallinity shows a non-Avrami-like evolution, unlike the case at low or high additive stickiness.
}, keywords = {Additives, amorphous state, crystallisation, crystallites, Diffusion, Monte Carlo methods, polymer melts}, issn = {0021-9606}, doi = {10.1063/1.3174449}, author = {Dasmahapatra, Ashok Kumar and Nanavati, Hemant and Kumaraswamy, Guruswamy} } @article { ISI:000266520400034, title = {Polymer-embedded stannic oxide nanoparticles as humidity sensors}, journal = {Materials Science \& Engineering C-Biomimetic and Supramolecular Systems}, volume = {29}, number = {3}, year = {2009}, month = {APR}, pages = {847-850}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Stannic oxide (SnO(2)) nanoparticles have been suspended in polyvinyl alcohol (PVA) matrix in different PVA: SnO(2) molar ratios ranging from 1:1 to 1:5 using simple chemical route. This suspension was deposited on ceramic substrate and upon drying was carefully detached from the substrate. SnO(2)-embedded self-standing, transparent and flexible thin films were hence synthesized. Transmission electron microscopy (TEM) and Xray diffraction (XRD) techniques show the rutile tetragonal structure of SnO(2) with particle size similar to 5 nm. UV-Visible spectroscopy demonstrates the band gap of 3.9 eV, which does not alter when embedded in polymer. Fourier transform infrared spectroscopy (FTIR) reveals that the properties of SnO(2) do not modify due to incorporation in the PVA matrix. The structures work as excellent humidity sensors at room temperature. For a critical PVA:SnO(2) molar ratio of 1:3, the resistance changes to five times of magnitude in 92\% humidity within fraction of second when compared with resistance at 11\% humidity. The sample regains its original resistance almost instantaneously after being removed from humid chamber. Nanodimensions of SnO(2) particles and percolation mechanism related to transport through polymer matrix and water molecule as a carrier has been used to understand the mechanism. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {humidity sensor, Nanoparticles, Polymer, Stannic oxide}, issn = {0928-4931}, doi = {10.1016/j.msec.2008.07.039}, author = {Hatamie, Shadie and Dhas, Vivek V. and Kale, B. B. and Mulla, Imtiaz S. and Kale, Sangeeta N.} } @article {42456, title = {Polymeric ladderphanes}, journal = {Journal of the American Chemical Society}, volume = {131}, year = {2009}, month = {AUG}, pages = {12579{\textendash}12585}, abstract = {
A new class of polymers, which have a double-stranded polybinorbornene skeleton with multilayer planar oligoaryl linkers, defined as polymeric ladderphanes, are synthesized. The structures of these ladderphanes are determined by spectroscopic means. Photophysical studies and time-resolved fluorescence spectroscopic investigations reveal that there is a strong interaction between the chromophore linkers. Thus, Soret band splitting in the absorption spectrum of the polymer with porphyrin linker (12e), significant fluorescence quenching with oligoaryl linkers (12b-d), and excimer emission with a terphenylene-diethynylene linker (12a) are characteristic photophysical properties of these polymers. Scanning tunneling microscopy shows that polymers 12b and d exhibit a ladder-like morphology and form a supramolecular assembly leading to a two-dimensional ordered array on a highly oriented pyrolytic graphite surface.
}, doi = {10.1021/ja9035362}, author = {Chou, Chih-Ming and Lee, Shern-Long and Chen, Chih-Hsien and Biju, Akkattu T. and Wang, Hsian-Wen and Wu, Yi-Lin and Zhang, Guo-Fu and Yang, Kuang-Wei and Lim, Tsong-Shin and Huang, Min-Jie and Tsai, Po-Yu and Lin, Kin-Chuan and Huang, Shou-Ling and Chen, Chun-hsien and Luh, Tien-Yau} } @article { ISI:000259765600037, title = {Poly(o-anisidine) coatings on brass: synthesis, characterization and corrosion protection}, journal = {Current Applied Physics}, volume = {9}, number = {1}, year = {2009}, month = {JAN}, pages = {206-218}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Poly(o-anisidine) (POA) coatings were synthesized on brass by electrochemical polymerization of o-anisidine in aqueous salicylate solution by using cyclic voltammetry. These coatings were characterized by cyclic voltammetry, UV-visible absorption spectroscopy., Fourier transform infrared (FTIR) spectroscopy and scanning electron microscopy (SEM). The corrosion protection aspects of POA coatings on brass in aqueous 3\% NaCl solution were investigated by potentiodynamic polarization technique and electrochemical impedance spectroscopy (EIS). The potentiodynamic polarization measurements show that the POA coating has ability to protect the brass against corrosion. The corrosion potential was about 0.204 V versus SCE more positive for the POA coated brass than that of uncoated brass and reduces the corrosion rate of brass almost by a factor of 800. The corrosion behavior of the POA coatings was also investigated by EIS through immersion tests performed In aqueous 3\% NaCl solution. The evolution of the impedance parameters with the immersion time was studied and the results Show that the POA acts as a protective coating on brass against corrosion in 3\% NaCl solution. The water uptake and delamination area were also determined to further support the corrosion protection performance of the POA coating. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {brass, conducting polymers, Corrosion resistant coatings, cyclic voltammetry, Electrochemical impedance spectroscopy, Electrochemical polymerization, poly(o-anisidine)}, issn = {1567-1739}, doi = {10.1016/j.cap.2008.01.012}, author = {Chaudhari, Sudeshna and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000272122000010, title = {Polypropylene-organoclay nanocomposites containing nucleating agents}, journal = {Polymer Bulletin}, volume = {63}, number = {6}, year = {2009}, month = {DEC}, pages = {897-909}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Polypropylene/organoclay nanocomposites containing nucleating agents, viz., aluminum hydroxybis[2,2-methylenebis(4,6-di-tert-butylphenyl) phosphate (NA21) and 1,3:2,4-bis(3,4-dimethylbenzylidene)sorbitol (Millad 3988), were prepared by direct melt intercalation in a twin-screw extruder. Nucleating agents were added to polypropylene during compounding and their effect on the properties of the nanocomposites was studied. X-ray diffraction (XRD) and transmission electron microscopy (TEM) exhibited clay layers to be intercalated and partially exfoliated. The expansion of inter-gallery distance of the clay layers was governed by the interaction between polypropylene, compatibilizer, and different nucleating agents. Thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) indicated higher thermal stability and crystallization temperature for nanocomposites compared to virgin polymer. Even a small addition of the nanoscale filler with 0.2\% nucleating agents was found to promote concurrently several PP material properties, including improved tensile characteristics, higher Young{\textquoteright}s modulus, increased thermal stability and rate of crystallization.
}, keywords = {Nucleating agents, organoclay, Polypropylene nanocomposites, Thermogravimetric analysis, transmission electron microscopy}, issn = {0170-0839}, doi = {10.1007/s00289-009-0184-2}, author = {Ghugare, S. V. and Govindaiah, P. and Avadhani, C. V.} } @article { ISI:000268215200017, title = {Polypyrrole functionalized with FePcTSA for NO(2) sensor application}, journal = {Sensors and Actuators B-Chemical}, volume = {140}, number = {2}, year = {2009}, month = {JUL}, pages = {439-444}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The nitrogen dioxide (NO(2)) sensing capability of polypyrrole (PPy) was enhanced dramatically after functionalized with iron(III)phthalocyanine-4,4{\textquoteright},4 {\textquoteleft}{\textquoteright},4{\textquoteright}{\textquoteright}{\textquoteright}-tetrasulfonic acid monosodium salt (FePcTSA). The incorporated phthalocyanine was confirmed by different characterization techniques such as UV-vis spectroscopy, FTIR, GFAAS, EDAX, etc. The resistance of the functionalized PPy decreased spontaneously during exposure to NO(2) gas at room temperature. This material exhibited excellent stability, reversibility, and reproducibility. The lowest response time (t(50)) thus obtained is 47 s with a highest response factor (Delta R/R(0) x 100) of 50.25. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Chemical sensor, Fe(III)phthalocyanine tetrasulfonate, Nitrogen dioxide, polypyrrole}, issn = {0925-4005}, doi = {10.1016/j.snb.2009.04.043}, author = {Paul, Santhosh and Joseph, Michael} } @article { ISI:000265814500012, title = {Polypyrrole functionalized with ferrocenyl derivative as a rapid carbon monoxide sensor}, journal = {Synthetic Metals}, volume = {159}, number = {5-6}, year = {2009}, month = {MAR}, pages = {415-418}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A rapid carbon monoxide detection system was developed with the electrochemical functioncalization of polypyrrole (PPy) with ferrocenylmethyltrimethylammonium iodide (FTMA-I) as a co-dopant exhibits very high sensitivity to ppm levels of carbon monoxide gas and fast recovery under normal dry room temperature conditions. The co-dopant was synthesized mainly to incorporate into PPy electrochemically to modify the properties in order to sense carbon monoxide (CO) gas. The FTMA-I doped PPy exhibited the characteristics oxidation/reduction peaks for ferrocene in its cyclic voltammograms. The modified PPy films deposited on interdigited electrodes gave rapid sensitivity within a second to 300 ppm carbon monoxide gas and good sensitivity factor was observed even at 4 mmol of the functional groups in the polymer for 300 ppm carbon monoxide gas. This material detected the CO gas concentration as low as 100 ppm. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {carbon monoxide, Chemical sensor, conducting polymer, polypyrrole}, issn = {0379-6779}, doi = {10.1016/j.synthmet.2008.10.013}, author = {Paul, Santhosh and Chavan, Nayaku and Radhakrishnan, S.} } @article { ISI:000270471100021, title = {Porous anisotropic metal nanostructures through controlled transmetallation across a dialysis membrane}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {11}, year = {2009}, month = {NOV}, pages = {6401-6408}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Nanostructured metals with hollow interiors are of technological importance due to their unique optoelectronic properties and enhanced surface area. We describe herein, a novel method for the synthesis of anisotropic gold and palladium nanoparticles through a simple galvanic replacement reaction across a semi-permeable dialysis membrane. The control over the reaction kinetics achieved by the presence of membrane enables one to tune the bimetal composition, particle porosity and morphology. Rapid outward diffusion of silver ions generated from the sacrificial silver nanoparticles even at room temperatures prevents the precipitation of high quantities of silver chloride, thereby circumventing the need for product purification. The porous anisotropic nanostructures have potential applications in catalysis, cell imaging and therapeutics.
}, keywords = {Ag/Pd Nanostructures, Anisotropic Nanoparticles, Dialysis, Galvanic Replacement, Porous nanostructures, Silver Nanotriangles, Silver Nanowires, Transmetallation}, issn = {1533-4880}, doi = {10.1166/jnn.2009.1350}, author = {Shukla, Sourabh and Pasricha, Renu and Sastry, Murali} } @article { ISI:000263008600003, title = {Prediction of extrudate swell in polymer melt extrusion using an Arbitrary Lagrangian Eulerian (ALE) based finite element method}, journal = {Journal of Non-Newtonian Fluid Mechanics}, volume = {156}, number = {1-2}, year = {2009}, month = {JAN}, pages = {21-28}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Accurate prediction of extrudate (die) swell in polymer melt extrusion is important as this helps in appropriate die design for profile extrusion applications. Extrudate swell prediction has shown significant difficulties due to two key reasons. The first is the appropriate representation of the constitutive behavior of the polymer melt. The second is regarding the simulation of the free surface, which requires special techniques in the traditionally used Eulerian framework. In this paper we propose a method for simulation of extrudate swell using an Arbitrary Lagrangian Eulerian (ALE) technique based finite element formulation. The ALE technique provides advantages of both Lagrangian and Eulerian frameworks by allowing the computational mesh to move in an arbitrary manner, independent of the material motion. In the present method, a fractional-step ALE technique is employed in which the Lagrangian phase of material motion and convection arising out of mesh motion are decoupled. In the first step, the relevant flow and constitutive equations are solved in Lagrangian framework. The simpler representation of polymer constitutive equations in a Lagrangian framework avoids the difficulties associated with convective terms thereby resulting in a robust numerical formulation besides allowing for natural evolution of the free surface with the flow. In the second step, mesh is moved in ALE mode and the associated convection of the variables due to relative motion of the mesh is performed using a Godunov type scheme. While the mesh is fixed in space in the die region, the nodal points of the mesh on the extrudate free surface are allowed to move normal to flow direction with special rules to facilitate the simulation of swell. A differential exponential Phan Thien Tanner (PTT) model is used to represent the constitutive behavior of the melt. Using this method we simulate extrudate swell in planar and axisymmetric extrusion with abrupt contraction ahead of the die exit. This geometry allows the extrudate to have significant memory for shorter die lengths and acts as a good test for swell predictions. We demonstrate that our predictions of extrudate swell match well with reported experimental and numerical simulations. (c) 2008 Elsevier BY. All rights reserved.
}, keywords = {Arbitrary Lagrangian Eulerian, Extrudate (die) swell, Free surface simulations}, issn = {0377-0257}, doi = {10.1016/j.jnnfm.2008.06.006}, author = {Ganvir, Vivek and Lele, Ashish K. and Thaokar, Rochish and Gautham, Basavarsu P.} } @article { ISI:000266447600030, title = {Preparation and characterization of rhodium nanostructures through the evolution of microgalvanic cells and their enhanced electrocatalytic activity for formaldehyde oxidation}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {22}, year = {2009}, month = {JUN}, pages = {9616-9622}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Shape-controlled morphological evolution of nanostructured Rh has been demonstrated with the help of a galvanic displacement reaction using Al in 1 mM aqueous Rh(III) chloride at an open circuit potential 0.99 V and at a temperature of 273 K (room temperature). Nanospheres composed of small nanoparticles of size around 2.9 +/- 0.4 nm having uniform distribution with a FCC pattern have been evolved during the course of the reaction. Electrochemical results coupled with structural and morphological characterization data from transmission electron microscopy (TEM), scanning electron microscopy (SEM), X-ray diffraction (XRD), and cyclic voltammetry (CV) suggested the formation of Rh nanostructures. Considering the role of the potential of substrate Al and Rh and diffusion of reactant and product species toward and from the surface of the Al, we proposed the tentative mechanism for the formation of microgalvanic cell. Significantly, these: rhodium nanostructures exhibit enhanced electrocatalytic activity toward many fuel cell reactions as demonstrated by formaldehyde oxidation in 0.5 M NaOH. The present strategy is expected to be valid for preparing many other similar electrocatalysts (Pt, Au, and Pd) capable of exhibiting such a remarkable size- and shape-dependent reactivity.
}, issn = {1932-7447}, doi = {10.1021/jp901055v}, author = {Sathe, Bhaskar R. and Shinde, Dhanraj B. and Pillai, Vijayamohanan K.} } @article { ISI:000264434000020, title = {Preparation and nonisothermal crystallization behavior of polypropylene/layered double hydroxide nanocomposites}, journal = {Polymer}, volume = {50}, number = {6}, year = {2009}, month = {MAR}, pages = {1505-1515}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Polypropylene (PP)/layered double hydroxide (LDH) nanocomposites were prepared via melt intercalation using dodecyl sulfate anion modified LDH and maleated PP as compatibilizing agent. Evidently the interlayer anions in LDH galleries react with maleic anhydride groups of PP-g-MA and lead to a finer dispersion of individual LDH layers in the PP matrix. The nanostructure was characterized by XRD and TEM; the examinations confirmed the nanocomposite formation with exfoliated/intercalated layered double hydroxides well distributed in the PP matrix. The nonisothermal crystallization behavior of resulting nanocomposites was extensively studied using differential scanning calorimetry (DSC) technique at various cooling rates. In nonisothermal crystallization kinetics, the Ozawa approach failed to describe the crystallization behavior of nanocomposites, whereas the Avrami analysis and Jeziorny method well define the crystallization behavior of PP/LDH nanocomposite. Combined Avrami and Ozawa analysis (Liu model) also found useful. The results revealed that very small amounts of LDH (1\%) could accelerate the crystallization process relative to the pure PP and increase in the crystallization rates was attributed to the nucleating effect of the nanoparticles. Polarized optical microscopy (POM) observations also support the DSC results. The effective crystallization activation energy was estimated as a function of the relative degree of crystallinity using the isoconversional analysis. Overall, results indicated that the LDH particles in nanometer size might act as nucleating agent and distinctly change the type of nucleation, growth and geometry of PP crystals. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Layered double hydroxide, Nonisothermal crystallization kinetics, Polypropylene nanocomposites}, issn = {0032-3861}, doi = {10.1016/j.polymer.2009.01.031}, author = {Lonkar, Sunil P. and Morlat-Therias, Sandrine and Caperaa, N. and Leroux, Fabrice and Gardette, Jean Luc and Singh, R. P.} } @article { ISI:000263733200011, title = {Preparation of nearly monodisperse nickel nanoparticles by a facile solution based methodology and their ordered assemblies}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {9}, year = {2009}, month = {MAR}, pages = {3426-3429}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Nickel nanoparticles have been synthesized by a simple wet chemical reduction technique in the presence of a surfactant sodium dodecyl sulfate (SDS) and a capping agent oleic acid. Varying the concentration of the surfactant and the capping agent has been found to critically govern the nature of the nanoparticles prepared. It is observed that at an optimum concentration of SDS and oleic acid, nearly monodisperse Ni nanoparticles are obtained that form highly ordered hexagonally close-packed structures on electron microscopy grids by a simple drop coating procedure. It is also shown that the presence of oleic acid is necessary for the stability of the Ni nanoparticles synthesized. Structural and magnetic characterizations of the nanoparticles are also presented.
}, issn = {1932-7447}, doi = {10.1021/jp807542w}, author = {Sidhaye, Deepti S. and Bala, Tanushree and Srinath, S. and Srikanth, H. and Poddar, Pankaj and Sastry, Murali and Bhagavatula L. V. Prasad} } @article { ISI:000264309000017, title = {Pressure drop across vortex diodes: experiments and design guidelines}, journal = {Chemical Engineering Science}, volume = {64}, number = {6}, year = {2009}, month = {MAR}, pages = {1285-1292}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Vortex diodes are used as leaky non-return valves in applications where it is desirable to avoid valves with moving parts. Despite their use in practice for several decades, no clear guidelines for design and optimization of vortex diodes are available. Detailed experimental study on flow and pressure drop characteristics of vortex diodes was therefore carried out to evolve such guidelines. The study covered a wide range of vortex diodes. The variation of diodicity (ratio of pressure drop for reverse and forward flow for the same flow rate) with respect to diode geometry, diode size (d(c)), aspect ratio (d(c)/h), nozzle configuration and Reynolds number (Re) was studied. The experimental results were critically analyzed to develop a design methodology. The methodology is shown to be useful for obtaining the diode dimensions that would yield the desired diodicity for the required operating flow rate. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Aspect ratio, Diodicity, Nozzles, pressure drop, Vortex diode}, issn = {0009-2509}, doi = {10.1016/j.ces.2008.10.060}, author = {Kulkarni, Amol A. and Ranade, Vivek V. and Rajeev, R. and Koganti, S. B.} } @article { ISI:000275134900013, title = {Probing differential Ag+-nucleobase interactions with isothermal titration calorimetry (ITC): towards patterned DNA metallization}, journal = {Nanoscale}, volume = {1}, number = {1}, year = {2009}, month = {OCT}, pages = {122-127}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
DNA has been Successfully used as a scaffold for the fabrication of metallic nanowires, primarily based oil the electrostatic complexation and reduction of the metal cations on the negatively charged sugar-phosphate backbone. Here. we probe the differential binding affinities of nucleobases for silver ions using sensitive isothermal titration calorimetry (ITC) measurements of the reaction enthalpies, which go in order: C \> G \> A \>= T. Using the disparity between the interaction of cytosine (strong binding) and thymine (weak binding) with silver ions, we have successfully generated silver nanoparticle doublets and triplets on custom-made oligonucleotides, C-30-T-40-C-30 and C-20-T-20-C-20-T-20-C-20, respectively. Thus, it new and simple method of generating metallized DNA wires is presented, based entirely on the nucleotide sequence of DNA. The concept could be extended to other cations and complex DNA sequences in order to achieve intricately patterned DNA constructs.
}, issn = {2040-3364}, doi = {10.1039/b9nr00004f}, author = {Shukla, Sourabh and Sastry, Murali} } @article {43344, title = {Process for the preparation of polymeric absorbents }, number = {US 09/537,450}, year = {2009}, month = {JAN}, chapter = {US6794467 B2}, abstract = {The invention discloses a process for the preparation of polymeric absorbents useful for gelling organic liquids. The process comprises mixing one or more monomers with a cross-linking agent, a free radical initiator, an optional solvent, optionally in the presence of a transition metal source and subjecting the mixture so obtained to a conventional polymerisation method. The polymer is removed, crushed to obtain polymer powder, washed with solvent and dried by conventional methods to remove unreacted monomers, followed by swelling in alcohols to obtain the desired product.}, author = {Lele, Ashish Kishor and Varghese, Shyni and Badiger, Manohar V. and Mashelkar, Raghunath Anant} } @article { ISI:000272302200009, title = {Production, purification, and characterization of taxol and 10-DABIII from a new endophytic fungus gliocladium sp isolated from the Indian yew tree, taxus baccata}, journal = {Journal of Microbiology and Biotechnology}, volume = {19}, number = {11}, year = {2009}, month = {NOV}, pages = {1342-1347}, publisher = {KOREAN SOC MICROBIOLOGY \& BIOTECHNOLOGY}, address = {KOREA SCI TECHNOL CENTER \#507, 635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREA}, abstract = {
We have isolated endophytic fungi from the Indian yew tree, Taxus baccata, and then screened for taxol production. Out of the 40 fungal cultures screened, one fungus Gliocladium sp. was found to produce taxol and 10-DABIII (10-deacetyl baccatin III). These compounds were purified by TLC and HPLC and characterized using UV-spectroscopy, ESI-MS, MS/MS, and proton NMR. One liter of Gliocladium sp. culture yielded 10 mu g of taxol and 65 mu g of 10-DABIII. The purified taxol from the fungus showed cytotoxicity towards cancer lines HL-60 (leukemia), A431 (epidermal carcinoma), and MCF-7 (breast cancer).
}, keywords = {10 DAB III, Endophytic fungi, Gliocladium sp., Taxol, Taxus baccata}, issn = {1017-7825}, doi = {10.4014/jmb.0904.04041}, author = {Sreekanth, D. and Syed, A. and Sarkar, S. and Sarkar, Dhiman and Santhakumari, B. and Ahmad, Absar and Khan, Mohammad Islam} } @article { ISI:000261921400006, title = {Proline-catalyzed simple and efficient synthesis of 1,8-dioxo-decahydroacridines in aqueous ethanol medium}, journal = {Synthetic Communications}, volume = {39}, number = {2}, year = {2009}, month = {DEC}, pages = {PII 907127919}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Proline-catalyzed synthesis of 1,8-dioxo-decahydroacridines is achieved via one-pot, three-component condensation of aromatic aldehydes, cyclic diketone, and aryl amines in aqueous ethanol medium. This method offers the advantages of proceeding in neutral and mild conditions, giving high to excellent yields of acridines with easy workup procedure.
}, keywords = {1, 8-dioxodecahydroacridines, aqueous media, one-pot MCR, Proline}, issn = {0039-7911}, doi = {10.1080/00397910802044306}, author = {Venkatesan, K. and Pujari, Suresh S. and Srinivasan, Kumar V.} } @article { ISI:000261569100072, title = {Purification and characterization of acidic lipase from aspergillus niger NCIM 1207}, journal = {Bioresource Technology}, volume = {100}, number = {3}, year = {2009}, month = {FEB}, pages = {1486-1490}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
An extracellular lipase from Aspergillus niger NCIM 1207 has been purified to homogeneity using ammonium sulfate precipitation followed by phenyl sepharose and Sephacryl-100 gel chromatography. This protocol resulted in 149 fold purification with 54\% final recovery. The purified enzyme showed a prominent single band on SDS-PAGE. The purified enzyme is a monomeric protein of 32.2 kDa molecular weight and exhibits optimal activity at 50 degrees C. One interesting feature of this enzyme is its highly acidic pH optimum. The isoelectric point (pl) of lipase was 8.5. The purified lipase appears to be unique since it cleaved triolein at only 3-position releasing 1,2-diolein. Chemical modification studies revealed that His, Ser, Carboxylate and Trp are involved in catalysis. (c) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Acidic lipase, Aspergillus niger, Positional specificity}, issn = {0960-8524}, doi = {10.1016/j.biortech.2008.08.016}, author = {Mhetras, Nutan and Bastawade, Kulbhushan B. and Gokhale, D. V.} } @article { ISI:000265921000002, title = {Purification and characterization of putative alkaline [Ni-Fe] hydrogenase from unicellular marine green alga, tetraselmis kochinensis NCIM 1605}, journal = {Microbiological Research}, volume = {164}, number = {2}, year = {2009}, month = {FEB}, pages = {131-137}, publisher = {ELSEVIER GMBH, URBAN \& FISCHER VERLAG}, address = {OFFICE JENA, P O BOX 100537, 07705 JENA, GERMANY}, abstract = {
Hydrogenase enzyme from the unicellular marine green alga Tetraselmis kochinensis NCIM 1605 was purified 467 fold to homogeneity. The molecular weight was estimated to be similar to 89kDa by SDS-PAGE. This enzyme consists of two subunits with molecular masses of similar to 70 and similar to 19 kDa. The hydrogenase was found to contain 10 g atoms of Fe and 1 g of atom of Ni per mote of protein. The specific activity of hydrogen evolution was 50 mu mol H-2/mg/h of enzyme using reduced methyl viologen as an electron donor. This hydrogenase enzyme has pl value similar to 9.6 representing its alkaline nature. The absorption spectrum of the hydrogenase enzyme showed an absorption peak at 425 nm indicating that the enzyme had iron-sulfur clusters. The total of 16 cysteine residues were found per mote of enzyme under the denaturing condition and 20 cysteine residues in reduced denatured enzyme indicating that it has two disulfide bridges. (C) 2007 Published by Elsevier GmbH.
}, keywords = {Characterization, Chemical modification, Ni-Fe hydrogenase, Tetraselmis kochinensis, Unicellular green algae}, issn = {0944-5013}, doi = {10.1016/j.micres.2006.11.006}, author = {Bhosale, Siddharth H. and Pant, A. and Khan, Mohammad Islam} } @article { ISI:000271103500037, title = {Quantitative structure-property relationship (QSPR) prediction of liquid viscosities of pure organic compounds employing random forest regression}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9708-9712}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A quantitative structure-property relationship (QSPR) approach was used to develop a predictive model for viscosities of pure organic liquids using a set of 403 compounds that belong to diverse classes of organic chemicals. A pool of 116 descriptors that encode topostructural, topochemical, electrotopological, geometrical, and quantum chemical properties of the organic compounds was used to develop QSPR models, based on the robust Random Forest (RF) regression algorithm. The performance of the algorithm, in terms of correlation coefficients and mean square errors, was determined to be good. The capability of the algorithm to build models and select the most-informative features simultaneously is very useful for several quantitative structure-activity/property relationship tasks. The eight most-dominant features selected by the RF regression algorithm primarily contained predictors that encode characteristics of atoms and groups that form hydrogen bonds, as well as factors involving molecular shape and size.
}, issn = {0888-5885}, doi = {10.1021/ie8018406}, author = {Rajappan, Remya and Shingade, Prashant D. and Natarajan, Ramanathan and Jayaraman, Valadi K.} } @article {42455, title = {Reactions of morita-baylis-hillman acetates with huisgen zwitterions: a novel strategy for the synthesis of ?-amino acid derivatives}, journal = {Synthesis}, year = {2009}, month = {APR}, pages = {1829{\textendash}1833}, abstract = {
The reaction of Huisgen Zwitterion with Morita{\textendash}Baylis{\textendash} Hillman acetates afforded b-amino acid derivatives.
}, keywords = {b-amino acid, Huisgen zwitterion, Morita{\textendash}Baylis{\textendash}Hillman acetate}, doi = {10.1055/s-0028-1088063}, author = {Jose, Anu and Paul, Rony Rajan and Mohan, Resmi and Mathew, Smitha C. and Biju, Akkattu T. and Eringathodi, Suresh and Nair, Vijay} } @article { ISI:000264247300034, title = {Reactive extrusion of poly(L-Lactic Acid) with glycidol}, journal = {Journal of Applied Polymer Science}, volume = {112}, number = {3}, year = {2009}, month = {MAY}, pages = {1391-1398}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Glycidol modified polylactic acid (PLLA) polymers have been prepared by reactive extrusion. Influences of residence time and the concentration of glycidol on the extent of reaction with different weight average molecular weight (45,000, 65,000, and 100,000) PLLA{\textquoteright}s were studied. Structure-property relationship has been established by measuring molecular, mesoscopic, and macroscopic properties. Under reactive extrusion conditions glycidol reacted with the end groups of PLLA to initiate chain extension. Low-molecular weight PLLA reacted with glycidol faster than the medium molecular weight PLLA, whereas high-molecular weight PLLA did not show significant reactions. The glass transition temperature, melting temperature, crystallization temperature, and heat of fusion were measured for unmodified and modified PLLA{\textquoteright}s. Chain extended PLLA had higher T(g) and T(m) than the unmodified samples. Time sweep rheological experiments were performed to test the melt stability of PLLA. Chain extended PLLA{\textquoteright}s were found to retain viscoelastic properties for much longer time than the unreacted samples. (C) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 112: 1391-1398, 2009
}, keywords = {biodegradable, reactive extrusion, Rheology, structure-property relations, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.29581}, author = {Deenadayalan, E. and Lele, Ashish K. and Balasubramanian, M.} } @article { ISI:000266545500027, title = {Real-time nanomechanical and topographical mapping on live bacterial cells-brevibacterium casei under stress due to their exposure to Co2+ Ions during microbial synthesis of Co3O4 nanoparticles}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {22}, year = {2009}, month = {JUN}, pages = {7927-7933}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The study of elastic properties of microbial and mammalian cells using atomic force microscopy, with force-sensitivity as high as pico-Newtons and spatial resolution of a few nanometers, is proving to be a great tool for the real-time observation of the effects of drugs, biomolecules, metal ions, and nanoparticles on cell physiology in their natural environment. It has been shown that the Young{\textquoteright}s modulus of the cell surfaces is extremely sensitive to the surrounding environment. Recently, a broad array of microbes have been used successfully to synthesize nanocrystals of several metal and metal oxides in a controlled manner at room temperature after exposing them to various metal ion precursors. However, so far there is no report on the fate of their elastic properties and cell topography etc. during and after their exposure to the metal ions during the microbial synthesis of nanomaterials. Additionally, this information is also found to be extremely relevant to areas such as bioremediation, bioleaching, and biomineralization, where it is important to study the direct influence on the cell physiology in the presence of metal ions. Here, we report, for the first time, the use of AFM force-distance curves on live cells, to directly monitor (in real time) the changes in the surface-topography, surface-adhesion, indentation-depth, and Young{\textquoteright}s modulus of a metal-tolerant marine bacterium, Brevibacterium casei, isolated from the coast of the Arabian Sea, after its exposure to the Co2+ ions during the process of biosynthesis of nanoparticles. We earlier reported that this bacterium is capable of using the cobalt acetate as a precursor to synthesize protein-functionalized Co3O4 nanoparticles with very high crystallinity. Our study indicates a significant change in the morphology as well as elastic and adhesive properties of the Brevibacterium casei, where we found an increase in the adhesive properties and the indentation depth of the bacterial surfaces and a decrease in the cell stiffness after several hours of exposure to the cobalt acetate. We have discussed both qualitative and quantitative analysis of the force-spectroscopy data in detail.
}, issn = {1520-6106}, doi = {10.1021/jp902698n}, author = {Kumar, Umesh and Vivekanand, K. and Poddar, Pankaj} } @article { ISI:000269883300021, title = {Recyclable amberlyst-70 as a catalyst for biginelli reaction: an efficient one-pot green protocol for the synthesis of 3,4-dihydropyrimidin-2(1H)-ones}, journal = {Catalysis Letters}, volume = {131}, number = {3-4}, year = {2009}, month = {SEP}, pages = {469-473}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
An environmentally benign aqueous protocol for the synthesis of 3,4-dihydropyrimidin-2(1H)-ones using Amberlyst-70 as a recyclable catalyst has been developed. The use of resinous, nontoxic, thermally stable and inexpensive Amberlyst-70, as a recyclable heterogeneous catalyst, makes the process simple with negligible chemical waste. Thus renders this method an environmentally acceptable synthetic tool for Biginelli reaction.
}, keywords = {Amberlyst-70, Biginelli reaction, green chemistry, heterogeneous catalysis}, issn = {1011-372X}, doi = {10.1007/s10562-009-9896-z}, author = {Chandak, Hemant S. and Lad, Nitin P. and Upare, Pravin P.} } @article { ISI:000264437500011, title = {Redox and selective oxidation properties of Mn complexes grafted on SBA-15}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {66-71}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Manganese complexes of 5,10,15,20-tetraphenylporphyrin (Mn(TPP)Cl) were grafted on SBA-15 functionalized with propyl-amine, -thiol and -sulfonic acid groups. The acido-basic properties of the support influenced the oxidation state, redox behavior and selective oxidation properties of the Mn complexes. Acidic supports (SBA-15-pr-SH and SBA-15-pr-SO(3)H) promoted the reduction of Mn ions in Mn-TPP complexes from 3+ to 2+ oxidation state. A similar behavior was found also when Mn(Salen)Cl complexes were immobilized on those supports. However, the extent of such facile reduction was more in the case of Mn-TPP than in Mn-Salen complexes. The former exhibited superior catalytic activity (turnover frequency) than the latter-type Mn complexes in regio-, stereo- and chemoselective oxidation of R-(+)-limonene with molecular oxygen (1 atm) at ambient temperatures. The catalytic oxidation activity correlates with the redox behavior of the grafted Mn complexes. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Grafted manganese complexes, Mn(Salen)Cl, Mn(TPP)Cl, Organo-functionalized SBA-15, Redox behavior of Mn, Selective oxidation of limonene}, issn = {0920-5861}, doi = {10.1016/j.cattod.2008.03.014}, author = {Saikia, Lakshi and Srinivas, D.} } @article { ISI:000264206200011, title = {Regioselective O-acylation of myo-inositol 1,3,5-orthoesters: dependence of regioselectivity on the stoichiometry of the base}, journal = {Tetrahedron}, volume = {65}, number = {13}, year = {2009}, month = {MAR}, pages = {2703-2710}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A metal mediated unusual 1-3 acyl migration from C4-O to C2-OH of myo-inositol 1,3,5-orthoformate was observed during the alkylation of racemic 4-O-benzoyl-myo-inositol 1,3,5-orthoformate. This has been exploited for the selective esterification of either the C4(6)-OH or the C2-OH of myo-inositol by varying the amount of the base used. While the use of 1 equiv of the base (sodium hydride or potassium tert-butoxide) for the acylation of myo-inositol orthoesters gives the corresponding C4-ester exclusively, the use of two or more equivalents of base for the same reaction gives the C2-ester exclusively. The relatively higher stability of the alkoxide of racemic 2-O-acyl-myo-inositol 1,3,5-orthoester as compared to the alkoxide of 4-O-acyl-myo-inositol 1,3,5-orthoester is suggested to be responsible for the observed isomerization. (c) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Acylation, Cyclitol, Inositol, Orthoester, Regioselectivity, transesterification}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.01.060}, author = {Sureshan, Kana M. and Devaraj, Subramanian and Shashidhar, Mysore S.} } @article { ISI:000267728000002, title = {Relative reactivity of hydroxyl groups in inositol derivatives: role of metal ion chelation}, journal = {Carbohydrate Research}, volume = {344}, number = {10}, year = {2009}, month = {JUL}, pages = {1159-1166}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
O-Alkylation of myo-inositol derivatives containing more than one hydroxyl group via their alkali metal alkoxides (sodium or lithium) preferentially occurs at a hydroxyl group having a vicinal cis-oxygen atom. In general the observed selectivity is relatively higher for lithium alkoxides than for the corresponding sodium alkoxide. The observed regioselectivity is also dependent on other factors such as the solvent and reaction temperature. A perusal of the results presented in this article as well as those available in the literature suggests that chelation of metal ions by inositol derivatives plays a significant role in the observed regioselectivity. Steric factors associated with the axial or equatorial disposition of the reacting hydroxyl groups do not contribute much to the outcome of these O-alkylation reactions. These results could serve as guidelines in planning synthetic strategies involving other carbohydrates and their derivatives. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Carbohydrate, Chelation, Cyclitol, Inositol, Protecting group}, issn = {0008-6215}, doi = {10.1016/j.carres.2009.04.007}, author = {Devaraj, Subramanian and Jagdhane, Rajendra C. and Shashidhar, Mysore S.} } @article { ISI:000268401300001, title = {Responses of midgut amylases of Helicoverpa armigera to feeding on various host plants}, journal = {Journal of Insect Physiology}, volume = {55}, number = {8}, year = {2009}, month = {AUG}, pages = {663-670}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Midgut digestive amylases and proteinases of Helicoverpa armigera, a polyphagous and devastating insect pest of economic importance have been studied. We also identified the potential of a sorghum amylase inhibitor against H. armigera midgut amylase. Amylase activities were detected in all the larval instars, pupae, moths and eggs; early instars had lower amylase levels which steadily increased up to the sixth larval instar. Qualitative and quantitative differences in midgut amylases of H. amigera upon feeding on natural and artificial diets were evident. Natural diets were categorized as one or more members of legumes, vegetables, flowers and cereals belonging to different plant families. Amylase activity and isoform patterns varied depending on host plant and/or artificial diet. Artificial diet-fed H. armigera larvae had comparatively high amylase activity and several unique amylase isoforms. Correlation of amylase and proteinase activities of H. armigera with the protein and carbohydrate content of various diets suggested that H. armigera regulates the levels of these digestive enzymes in response to macromolecular composition of the diet. These adjustments in the digestive enzymes of H. armigera may be to obtain better nourishment from the diet and avoid toxicity due to nutritional imbalance. H. armigera, a generalist feeder experiences a great degree of nutritional heterogeneity in its diet. An investigation of the differences in enzyme levels in response to macronutrient balance and imbalance highlight their importance in insect nutrition. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Amylase inhibitors, Diet, Helicoverpa armigera larvae, Midgut amylase, Proteinases}, issn = {0022-1910}, doi = {10.1016/j.jinsphys.2009.05.004}, author = {Kotkar, Hemlata M. and Sarate, Priya J. and Tamhane, Vaijayanti A. and Gupta, Vidya S. and Giri, Ashok P.} } @article {42778, title = {Responsive assemblies and microgel-based materials}, journal = {Chemical Society Reviews}, volume = {38}, year = {2009}, month = {2009}, pages = {865-874}, author = {Lyon, L. Andrew and Meng, Z. and Singh, Neetu and Sorrell, C. D. and John, A.} } @article { ISI:000266525900010, title = {Review on lazy learning regressors and their applications in QSAR}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {12}, number = {4}, year = {2009}, month = {MAY}, pages = {440-450}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Building accurate quantitative structure-activity relationships (QSAR) is important in drug design, environmental modeling, toxicology, and chemical property prediction. QSAR methods can be utilized to solve mainly two types of problems viz., pattern recognition, (or classification) where output is discrete (i.e. class information), e. g., active or non-active molecule, binding or non-binding molecule etc., and function approximation, (i.e. regression) where the output is continuous (e.g., actual activity prediction). The present review deals with the second type of problem (regression) with specific attention to one of the most effective machine learning procedures, viz. lazy learning. The methodologies of the algorithm along with the relevant technical information are discussed in detail. We also present three real life case studies to briefly outline the typical characteristics of the modeling formalism.
}, keywords = {classification, lazy learning, machine learning, Quantitative structure activity relationship (QSAR), regression}, issn = {1386-2073}, author = {Kulkarni, Abhijit J. and Jayaraman, Valadi K. and Kulkarni, Bhaskar D.} } @article { ISI:000265529700071, title = {Revisit to carbon monoxide oxidation on Pd(111) surfaces}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {17}, year = {2009}, month = {APR}, pages = {7385-7397}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Carbon monoxide (CO) oxidation on Pd(111) surfaces has been studied by molecular beam methods with mixed molecular beams (CO + O(2)) between 400 and 900 K and a CO:O(2) ratio of 7:1 to 1:10. A new aspect of the above reaction observed in the transient kinetics regime is the evidence for oxygen diffusion into Pd(111) subsurface layers and its significant influence toward CO oxidation at high temperatures (\>= 600 K). An overall influence of subsurface oxygen on the kinetics of the CO oxidation reaction is addressed. Interesting information derived from the above studies is the necessity to fill up the subsurface layers with oxygen atoms to a threshold coverage (theta(Osub)), above which the reactive CO adsorption occurs on the surface with subsequent CO(2) production. The above observation Was demonstrated with CO-rich reactant compositions (CO + O(2)) above 600 K via instant oxygen adsorption on Pd surfaces; however, onset of CO adsorption as well as CO(2) production occurs after a time delay. theta(Osub) and the time delay in CO adsorption (and CO(2) production) increase with increasing temperature and with CO-rich compositions. theta(Osub) was measured up to 0.3 monlayer (ML) between 500 and 850 K before the onset of CO adsorption; however, theta(Osub) increases from an insignificant value at \<500 K to 0.4 ML at 900 K with a pure O(2) beam. Onset of CO adsorption with a significant sticking coefficient on the Pd surfaces, that is, covered with significant subsurface oxygen, underscores a change in the electronic state of Pd surfaces toward mildly oxidized (or Pd(delta+)), and an electronic decoupling occurs between the bulk and the surface. The jellium model is invoked to demonstrate the changes observed. A similar observation with polycrystalline Pd surfaces suggests the defect sites is one of the channels for oxygen diffusion into subsurfaces. Initial sticking coefficient (s(0)) measurements demonstrate that there is no significant competition between CO and O(2) adsorption from the CO + O(2) mixture between 400 and 600 K, and indeed they are largely independent of each other. The maximum steady-state CO(2) formation rate was observed for a 1:1 CO/O(2) beam composition between 500 and 550 K. However, with a significant theta(Osub) the rate of CO(2) Production in the steady state is considerable even at high temperatures (700-850 K), and a broadening of the active CO oxidation regime to high temperature is observed with O(2)-rich compositions.
}, issn = {1932-7447}, doi = {10.1021/jp900890w}, author = {Nagarajan, Sankaranarayanan and Thirunavukkarasu, Kandasamy and Gopinath, Chinnakonda S.} } @article { ISI:000271538700006, title = {Rhodotorula aurantiaca penicillin V acylase: active site characterization and fluorometric studies}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {97}, number = {2}, year = {2009}, month = {NOV}, pages = {109-116}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Penicillin V acylase (PVA), a member of newly evolved Ntn-hydrolase superfamily, is a pharmaceutically important enzyme to produce 6-aminopenicillanic acid. Active site characterization of recently purified monomeric PVA from Rhodotorula aurantiaca (Ra-PVA), the yeast source, showed the involvement of serine and tryptophan in the enzyme activity. Modification of the protein with serine and tryptophan specific reagents such as PMSF and NBS showed partial loss of PVA activity and substrate protection. Ra-PVA was found to be a multi-tryptophan protein exhibiting one tryptophan, in native and, four in its denatured condition. Various solute quenchers and substrate were used to probe the microenvironment of the putative reactive tryptophan through fluorescence quenching. The results obtained indicate that the tryptophan residues of Ra-PVA were largely buried in hydrophobic core of the protein matrix. Quenching of the fluorescence by acrylamide was collisional. Acrylamide was the most effective quencher amongst all the used quenchers, which quenched 71.6\% of the total intrinsic fluorescence of the protein, at a very less final concentration of 0.1 M. Surface tryptophan residues were found to have predominantly more electropositively charged amino acids around them, however differentially accessible for ionic quenchers. Denaturation led to shift lambda(max) from 336, in native state, to 357 nm and more exposed to the solvent, consequently increase in fluorescence quenching with all quenchers. This is an attempt towards the conformational studies of Ra-PVA. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {active site residues, Fluorometric studies, Penicillin V acylase, Rhodotorula aurantiaca}, issn = {1011-1344}, author = {Kumar, Atul and Gowda, Nagaraj M. and Gaikwad, Sushama M. and Pundle, Archana} } @article { ISI:000264437500028, title = {Ru(II)-Chiral (1R,2S)-(+)-cis-1-amino-2-indanol immobilized over SBA-15 for asymmetric transfer hydrogenation reaction of prochiral ketones}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {161-167}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Mesoporous SBA-15 (Santa Barbara University at California) has been synthesized and functionalized with (4-chloromethyl)phenyltriethoxysilane, there after the surface silanols groups were passivated by dimethoxydimethylsilane (MeO(2)Me(2)Si) [Bz-SBA-15]. Further (1R,2S)-(+)-cis-1-amino-2-indanol [AIL] has been immobilized over functionalized SBA-15 (BzAIL-SBA-15). The heterogeneous catalysts were synthesized by complexation of BzAIL-SBA-15 by [RuCl(2)(benzene)](2) and [RuCl(2)(p-cymene)](2) in 2-propanol at reflux condition designated as Ru-Bn-BzAIL-SBA-15 (Ru-1) and Ru-Cy-BzAIL-SBA-15 (Ru-2). The synthesized materials have been characterized by small angle X-ray diffraction spectroscopy (SAXS), N(2) adsorption-desorption isotherms, Fourier Transformed-Infra-red (FT-IR) spectroscopy, Transmission Electron Microscopy (TEM), intensively Coupled plasma atomic emission spectroscopy (ICP-AES), Diffuse reflectance UV-vis and (13)C CP MAS NMR analysis. Further the synthesized and characterized materials (Ru-1 and Ru-2) have been successfully applied in the asymmetric transfer hydrogenation (ATH) reaction of simple prochiral ketones, which gave a yield of 56\% and 18\% and enantiomeric excess (ee) values of 62\% and 77\% for Ru-1 and Ru-2, respectively, after 1 h for acetophenone. The reusability studies showed approximately the same enantiomeric excess value at lower conversions. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {(1R, 2S)-(+)-Cis-1-amino-2-indanol, Asymmetric transfer hydrogenation, Chiral amino alcohols, Mesoporous molecular sieve, Prochiral ketones, SBA-15}, issn = {0920-5861}, doi = {10.1016/j.cattod.2008.04.003}, author = {Parambadath, Surendran and Singh, A. P.} } @article { ISI:000267239200041, title = {Scolecite as an efficient heterogeneous catalyst for the synthesis of 2,4,5-triarylimidazoles}, journal = {Central European Journal of Chemistry}, volume = {7}, number = {3}, year = {2009}, month = {SEP}, pages = {550-554}, publisher = {VERSITA}, address = {9 DRUGA POPRZECNA ST, 04-604 WARSAW 41, POLAND}, abstract = {
Natural scolecite has been found as an effective catalyst for the one-pot synthesis of 2,4,5-triarylimidazole derivatives via a three component reaction using benzil or benzoin, aldehydes and ammonium acetate. This method provides several advantages such as being environmentally benign, reusable, possessing high yields with increased variations of the substituents in the product and preparative simplicity.
}, keywords = {2, 4, 5-Triarylimidazoles, heterogeneous catalyst, Three-component reaction}, issn = {1895-1066}, doi = {10.2478/s11532-009-0050-y}, author = {Gadekar, Lakshman S. and Mane, Shivshankar R. and Katkar, Santosh S. and Arbad, Balasaheb R. and Lande, Machhindra K.} } @article { ISI:000272759400005, title = {Scolecite catalyzed facile and efficient synthesis of polyhydroquinoline derivatives through hantzsch multi-component condensation}, journal = {Bulletin of the Korean Chemical Society}, volume = {30}, number = {11}, year = {2009}, month = {NOV}, pages = {2532-2534}, publisher = {KOREAN CHEMICAL SOC}, address = {635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREA}, abstract = {
A facile and efficient synthetic route has been developed for the polyhydroquinoline via four component reactions of aldehydes, dimedone, ethyl acetoacetate and ammonium acetate in the presence of catalytic amount of scolecite in ethanol at 70 degrees C through Hantzsch reaction. This method gives remarkable advantages such as simple work-up procedure. environmentally friendly, inexpensive, non-toxic and recyclable catalyst, shorter reaction time along with excellent yields
}, keywords = {heterogeneous catalyst, Multicomponent reaction, Polyhydroquinoline, Reusable catalyst}, issn = {0253-2964}, author = {Gadekar, Lakshman S. and Katkar, Santosh S. and Mane, Shivshankar R. and Arbad, Balasaheb R. and Lande, Machhindra K.} } @article { ISI:000273100600003, title = {Selective binding of benzoquinone with a Pt-II-cyclophane constructed on the skeleton of N,N {\textquoteleft}-bis(salicylidene)-p-phenylenediamine: synthesis and spectroscopic studies}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {48}, number = {12}, year = {2009}, month = {DEC}, pages = {1644-1651}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
The Schiff base NN{\textquoteright}-bis(salicylidene)-p-phenylenediamine has been complexed with Pt(en)Cl-2 and the resulting Pt-II-cyclophane, [Pt(en)L](2)center dot 4PF(6), reacted with phenol, resorcinol, hydroquinone or benzoquinone in DMSO solution. Their binding has been monitored by the variation in the corresponding UV-visible and emission spectral patterns. The binding properties are compared with the earlier reported Zn-II-cyclophane [Zn(bpy)L](2) (bpy = 2,2{\textquoteright}-bipyridine). A few solid adducts of phenol and benzoquinone with the Pt-II-cyclophane complex and hydroquinone as well as that of resorcinol with the Zn-cyclophane have also been synthesized and characterized.
}, keywords = {Coordination chemistry, Cyclophanes, Metallocyclophanes, platinum, Schiff bases}, issn = {0376-4710}, author = {Kumari, Niraj and Prajapati, Rishikesh and Dixit, Mudit and Mishra, Lallan} } @article { ISI:000263491600023, title = {Selective hydroxyalkylation of phenol to bisphenol F over dodecatungstophosphoric acid (DTP) impregnated on fumed silica}, journal = {Applied Catalysis A-General}, volume = {354}, number = {1-2}, year = {2009}, month = {FEB}, pages = {176-182}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The catalyst activity of various solid acids, such as fumed Silica (SiO(2)) dodecatungstophosphoric acid (DTP), DTP impregnated on SiO(2), amberlyst-15 and montmorillonite KSF/0, was studied for the hydroxyalkylation of phenol to bisphenol F. A well-dispersed DTP on SiO2 catalyst was prepared by the wet impregnation method. The effect of DTP loading on SiO(2) was also compared with bulk DTP and other solid acid catalysts. 20\% DTP/SiO(2) catalyst gave the highest products yield of 34.2\% and selectivity of 90.1\% to bisphenol F, at 353 K and with a phenol-to-formaldehyde mole ratio of 5:1. Ammonia TPD studies of various catalysts showed that an appropriate combination of both strong and weak acid sites of DTP/SiO(2) Was mainly responsible, rather than only the stronger acidity of bulk DTP, for its highest catalytic activity and selectivity. The effect of various reaction parameters like mole ratio, catalyst concentration, temperature and reaction time on product yield and bisphenol F selectivity was also investigated. The catalyst recycle was established by catalyst activity testing. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Bisphenol F, Hydroxyalkylation, NH(3)-TPD, Reaction pathways, solid acid catalysts}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.11.025}, author = {Garade, Ajit C. and Kshirsagar, V. S. and Rode, C. V.} } @article { ISI:000266185600012, title = {Selective N-alkylation of aniline with methanol over a heteropolyacid on montmorillonite K10}, journal = {Applied Clay Science}, volume = {44}, number = {3-4}, year = {2009}, month = {MAY}, pages = {255-258}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
N-methylaniline is an industrially important product in the manufacture of paper, textile dyes, drugs, perfumes and explosives. The vapour phase alkylation of aniline with methanol forming N-methylaniline is advantageous over liquid phase alkylation. In present study, vapour phase methylation of aniline over dodecatungestophosphoric acid supported on K10 montmorillonite was systematically studied and optimization of process parameters was carried out. The 20\% m/m DTPA/K10 was found to be optimum with 79\% aniline conversion and 99\% N-methylaniline selectivity. The reaction required milder operating conditions than reported for commercial catalysts. We also studied the feasibility of 20\% m/m DTPA/K10 as a catalyst for the alkylation of aniline with other alcohols like ethanol, n-propanol, iso-propanol and n-butanol. The activity of 20\% m/m DTPA/K10 decreased with increasing carbon number. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Alkylation, Aniline, Heteropolyacid, montmorillonite K10, N-methylaniline}, issn = {0169-1317}, doi = {10.1016/j.clay.2009.02.011}, author = {Nehate, Manoj and Bokade, Vijay V.} } @article { ISI:000266188300010, title = {Selective oxidation of aromatic primary alcohols to aldehydes using molybdenum acetylide oxo-peroxo complex as catalyst}, journal = {Tetrahedron Letters}, volume = {50}, number = {24}, year = {2009}, month = {JUN}, pages = {2885-2888}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Selective oxidation of various aromatic alcohols to aldehydes has been carried out with very high conversion (90\%) and selectivity (90\%) for aldehydes using cyclopentadienyl molybdenum acetylide complex, CpMo(CO)(3)(C CPh) (1) as catalyst and hydrogen peroxide as environmentally benign oxidant, Water-soluble Mo acetylide oxo-peroxo species is formed in situ after reaction of I with aqueous hydrogen peroxide during the Course of reaction as catalytically active species. Interestingly even though the catalyst is homogeneous it Could be recycled very easily by separating the products in organic phase and catalyst in aqueous phase using separating funnel. Even after five recycles no appreciable loss in alcohol conversion and aldehyde selectivity was observed. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Homogenous catalyst, Hydrogen peroxide, Molybdenum complex, Oxidation, Oxo-peroxo, Primary aromatic alcohol}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.03.178}, author = {Biradar, Ankush V. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000263509700027, title = {Selective oxidation of benzyl alcohol over copper phthalocyanine immobilized on MCM-41}, journal = {Catalysis Letters}, volume = {128}, number = {3-4}, year = {2009}, month = {MAR}, pages = {434-442}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Copper phthalocyanine (CuPc) complexes immobilized on {\textquoteleft}{\textquoteleft}neat{\textquoteright}{\textquoteright} and Ti(4+) and Al(3+) containing MCM-41 mimic the functionality of metalloenzymes. These novel materials catalyze the oxidation of benzyl alcohol to selectively benzaldehyde at moderate temperatures using peroxides and molecular oxygen as oxidant. Electron paramagnetic resonance and X-ray photoelectron spectroscopic studies revealed that the acidity of the support (MCM-41) influences the electronic structure of the immobilized CuPc. On acidic supports a part of copper in CuPc got reduced from a {\textquoteleft}{\textquoteleft}formal{\textquoteright}{\textquoteright} +2 to +1 oxidation state. This reduction of copper in its oxidation state on different supports decreased in the order: Al-MCM-41 (Bronsted and strong Lewis acid sites) \> MCM-41 (silanol sites) \> Ti-MCM-41 (weak Lewis acid sites). A linear variation in catalytic activity with the concentration of Cu(1+) ions in different catalyst samples was observed. The study reveals that by suitably modifying the acidic properties of the support one can, in principle, fine-tune the electronic and catalytic properties of the active oxidation sites.
}, keywords = {Copper phthalocyanine, EPR, MCM-41, Selective oxidation of benzyl alcohol, UV-visible spectroscopy}, issn = {1011-372X}, doi = {10.1007/s10562-008-9770-4}, author = {Hamza, A. and Srinivas, D.} } @article { ISI:000264437500002, title = {Selective oxidations over zeolite- and mesoporous silica-based catalysts: selected examples}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {3-11}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Selective oxidation of hydrocarbons/terpenes in the liquid phase are reported over three categories of zeolite- and mesoporous silica-based catalysts: (1) transition metal complexes (metal phthalocyanines, copper acetate dimers and Co/Mn acetate trimer) encapsulated in zeolite-Y, (2) transition metal complexes (Mn-Salen), grafted on SBA-15, and (3) transition metal ions in framework positions of zeolites and mesoporous molecular sieves like Ti-silicates. Upon heterogenization, the metal complexes exhibited enhanced catalytic acitivity/selectivity. The causes for the enhanced catalytic activity/product selectivity have been explored. Dimer formation (copper acetate) or geometric distortion in the zeolite cavities (metal phthalocyanines) and consequent changes in energy levels and redox potentials are shown to modify the catalytic activity (in the selective oxidation of hydrocarbons) of the encapsulated metal complexes. In the case of Mn-Salen grafted on SBA-15, increasing the acidity of the siliceous surface (by -SO(3)H groups, for example) leads to a more facile reduction of the Mn ions and, thereby, enhanced catalytic activity in the selective epoxidation of limonene. When Ti ions are introduced in framework positions, reactive metal-oxo species are formed on contact with H(2)O(2) or O(2), Which influence the mode of O-O cleavage (heterolytic/homolytic) and product selectivity. The structure-function relationships in these catalysts are reported. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Mn-Salen, Oxidation of hydrocarbons and limonene, Reactive oxo species, Selective oxidation, Titanosilicates, Zeolite-encapsulated metal complexes}, issn = {0920-5861}, doi = {10.1016/j.cattod.2008.03.009}, author = {Ratnasamy, Paul and Srinivas, Darbha} } @article { ISI:000264521700002, title = {Selective synthesis of cumene by isopropylation of benzene using catalytic membrane reactor}, journal = {Chemical Engineering Journal}, volume = {147}, number = {2-3}, year = {2009}, month = {APR}, pages = {97-101}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Selective isopropylation of benzene to cumene is demonstrated using catalytic membrane reactor (CMR), to our knowledge for the first time and the performance was evaluated against conventional plug flow reactor (PFR). Almost complete elimination of byproducts like polyalkylated benzene and higher aromatics could be made possible by using CMR. These are present in significant amount when reaction is carried out with PFR. The cumene selectivity increased up to a maximum of 97.25\% by CMR as against 90.05\% with conventional PFR. The effect of reaction parameters that can greatly influence the process economics, such as liquid hourly space velocity (LHSV), reactant mole ratio and catalyst/reactor volume ratio were investigated. Changes in these parameters made for CMR are industrially advantageous. The process by CMR is more economical and ecofriendly than PFR as far as milder process parameters (higher LHSV, lower reactant feed mole ratio, less catalyst require, etc.) and process intensification (reaction and separation in single reactor) are concerned. The study provides new insights for benzene isopropylation reaction. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Benzene, Catalytic membrane reactor, cumene, Diisopropyl benzene, Friedel-Craft alkylation}, issn = {1385-8947}, doi = {10.1016/j.cej.2008.06.035}, author = {Bokade, Vijay V. and Kharul, Ulhas K.} } @article { ISI:000261660200019, title = {Self assembled hydrophobic nanoclusters of poly(methylmethcrylate) embedded into polyvinyl alcohol based hydrophilic matrix: preparation and water sorption study}, journal = {Journal of Applied Polymer Science}, volume = {111}, number = {3}, year = {2009}, month = {FEB}, pages = {1300-1310}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Hydrophilic matrices containing nanosized Clusters of hydrophilic moieties have demonstrated potential applications in biomedical field. A novel hydrogel containing nanosized domains (20-35 nm) of hydrophobic moieties of poly(methyl methacrylate) (PMMA) was prepared by grafting crosslinked p ly(acrylic acid-co-methyl-methacrylate) chains onto polyvinyl alcohol (PVA) backbone using an efficient redox system. The graft copolymerization process was investigated to observe the influence of gel components on the kinetic parameters of grafting such as rate of grafting (R(g)), grafting yield (G(y)) and grafting efficiency (G(e)). The prepared graft nanohydrogel was evaluated for its water sorption potential under varying chemical composition of the gel and changing pH, temperature, and ionic strength of the swelling bath. The swelling process was also examined mechanistically and diffusion constants (D) of water molecules through the swellable nanohydrogel were also evaluated. (c) 2008 Wiley Periodicals, Inc. J ppl Polym Sci 111: 1300-1310, 2009
}, keywords = {graft copolymers, hydrophilic polymers, Nanocomposites, swelling}, issn = {0021-8995}, doi = {10.1002/app.29155}, author = {Shukla, Sandeep Kumar and Shaikh, A. Wasif and Gunari, Nikhil and Bajpai, A. K. and Kulkarni, R. A.} } @article { ISI:000269017700010, title = {Self-assembled cylindrical and vesicular molecular templates for polyaniline nanofibers and nanotapes}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {34}, year = {2009}, month = {AUG}, pages = {11614-11624}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report a soft template approach based on a custom-designed novel surfactant-cum-dopant for size and shape tuning of polyaniline nanomaterials such as nanofibers and nanotapes via emulsion and dispersion polymerization routes. A new amphiphilic 4-(3-dodecyl-8-enylphenyloxy) butane sulfonic acid was synthesized by ring-opening of butanesultone with renewable resource cardanol. The new amphiphilic dopant forms spherical micelles in water and its critical micelle concentration was determined by dye encapsulation and surface tension methods. In the emulsion route, the amphiphilic dopant complexed with aniline to produce cylindrical micellar aggregates that template exclusively for polyaniline nanofibers. The dispersion of aniline + dopant in water/toluene solvent mixture produces vesicles that selectively template for polyaniline nanotapes. The mechanism of the polyaniline nanomaterials formation was investigated by dynamic light scattering (DLS) and high-resolution transmission electron microscopy (HR-TEM). DLS of the polymerization templates in water proved the presence of micrometer range aggregates, and TEM images confirmed the shape of the cylindrical and vesicular templates. The polyaniline nanomaterials were found soluble in water and polar organic solvents for structural characterization and composition analysis by H-1 NMR spectroscopy. Absorbance spectra of the nanomaterials showed free carrier tail above 900 nm in the near IR region for the delocalization of electrons in the polaron band Corresponding to expanded conformation of polyaniline chains, Wide angle X-ray diffraction showed two new peaks at low angle region with d-spacing of 26.5 and 13.6 angstrom Corresponding to lamellar ordering of polyaniline chains followed by interdigitations of the amphiphilic dopant in the nanomaterials.
}, issn = {1520-6106}, doi = {10.1021/jp9043418}, author = {Anilkumar, P. and Jayakannan, M.} } @article { ISI:000264111200022, title = {Self-assembly of silica particles in a nonionic surfactant hexagonal mesophase}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {11}, year = {2009}, month = {MAR}, pages = {3423-3430}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We investigate the process of self-assembly, and the resultant structures in composites of silica particles with a hexagonal mesophase of a nonionic surfactant and water. We report a systematic transition in behavior when the particle size is increased relative to the characteristic mesophase spacing. Water dispersible cage-like silsesquioxanes that are molecular analogues of silica particles and are smaller than the mesophase spacing swell the space between the surfactant cylinders. Silica particles comparable to the characteristic hexagonal spacing partition into the hexagonal phase and into strandlike particulate aggregates. Even larger particles phase separate from the hexagonal phase to form particulate strands that organize with a mesh size comparable to the wavelength of visible light. This self-assembly is reversible and the particles disperse by breaking up the aggregates on heating the composite into the isotropic phase. On cooling from the isotropic phase into the hexagonal, the particles are expelled from the growing hexagonal domains and finally impinge to form strandlike aggregates. Unusually, the isotropization temperature is increased in the composites as the particles nucleate the formation of the hexagonal phase.
}, issn = {1520-6106}, doi = {10.1021/jp810769g}, author = {Sharma, Kamendra P. and Kumaraswamy, Guruswamy and Ly, Isabelle and Mondain-Monval, Olivier} } @article { ISI:000271103500021, title = {Self-similar dynamics of a flexible ring polymer in a fixed obstacle environment: a coarse-grained molecular model}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9514-9522}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this contribution we concern ourselves with an interesting problem, namely, the dynamics of ideal flexible ring polymers constrained in tin array of fixed obstacles. The fundamental issue in this problem is to understand how a topologically constrained polymer chain is able to relax its conformation in the absence of chain ends. The key physics was provided in tin elegant scaling theory by Rubinstein and co-workers (Obukhov, S. P; Rubinstein, M.; Duke, T. Dynamics of a Ring Polymer in a Gel. Phys. Rev. Lett. 1994, 73, 1263-1267). In this work we develop a coarse-grained mean-field model based oil the physical arguments of the scaling theory and derive constitutive relations for rings in fixed obstacle and melt environments. The model is composed of three distinct steps. In the first step the dynamics of an arbitrary section of a ring chain is worked out based oil fractal Blob-Spring (BS) dynamics, and the center of mass diffusion and the relaxation spectrum of this section are determined. In the second step the center of mass diffusion obtained using the BS dynamics is used to model the one-dimensional diffusion of the section in a topologically constrained environment. In the final step we invoke the idea of dynamic self-similarity and argue that the dynamics described in the first and the second step, for any arbitrary section of the chain, applies to all sections of the chain. The constitutive relation is obtained consequently as the superposition of dynamic response of all sections of the ring chain.
}, issn = {0888-5885}, doi = {10.1021/ie900535v}, author = {Iyer, Balaji V. S. and Lele, Ashish K. and Juvekar, Vinay A. and Mashelkar, Raghunath Anant} } @article { ISI:000269185000035, title = {Sensitivity enhancement of Si-29 double-quantum dipolar recoupling spectroscopy by Carr-Purcell-Meiboom-Gill acquisition method}, journal = {Chemical Physics Letters}, volume = {478}, number = {4-6}, year = {2009}, month = {AUG}, pages = {287-291}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
An enhancement in the detection sensitivity of dipolar recoupled Si-29 double-quantum magic-angle spinning experiment is shown with a Carr-Purcell-Meiboom-Gill (CPMG) train of pi pulses during the acquisition period. Symmetry-adapted pulse schemes, such as POST-C7 and SR26(4)(11), are used for the double-quantum excitation. Application of POST-C7-CPMG method for framework characterisation is demonstrated in the disordered and catalytically important ZSM-5 molecular sieve. Based on the observed double-quantum dipole-dipole correlations and the known T-site Si connectivities, the assignment of all the signals is made for the orthorhombic phase of the as-synthesised (CN form) material. (C) 2009 Elsevier B. V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2009.07.066}, author = {Goswami, M. and Madhu, Perunthiruthy K. and Dittmer, J. and Nielsen, N. C. and Ganapathy, Subramanian} } @article { ISI:000264897200052, title = {Shape and size selective separation of gold nanoclusters by competitive complexation with octadecylamine monolayers at the air-water interface}, journal = {Journal of Colloid and Interface Science}, volume = {333}, number = {1}, year = {2009}, month = {MAY}, pages = {380-388}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The paper presents a time-dependent study of shape-dependent preferential complexation of gold nanoparticles to the octadecyl amine (ODA) monolayers at the air-water interface. Room temperature reduction of chloroaurate ions using lemon grass leaf extract yields a Mixture of spherical and triangular nanoparticles, which were used for this study. These nanoparticles have a net negative charge on their surface due to the presence of biomolecules from plant extract and thus a strong attractive electrostatic interaction with the positively charged ODA monolayers drives the complexation process. The extent of preferential complexation of the gold nanoparticles to the ODA monolayers is a function of the charge on the particles and the relative mobility of the nanoclusters in the medium. The complexation process has been followed in real time by a host of techniques such as surface pressure-area (pi-A) isotherms, UV-vis-NIR spectroscopy and Brewster angle microscopy. The charge and mobility of the gold nanoparticles was confirmed by measurement of their electrophoretic mobility. Langmuir-Blodgett films of the nanogold-ODA composites have been characterized by UV-vis-NIR spectroscopy, Fourier transform infrared spectroscopy, and transmission electron microscopy. These measurements clearly indicate that the cluster mobility and complexation increase with decreasing cluster size. In the competitive complexation process of large and small gold particles, it was observed that some bigger gold particles were also incorporated into the amine matrix even though the cluster mobility is higher for smaller gold particles. (c) 2009 Elsevier Inc. All rights reserved.
}, keywords = {Competitive complexation, gold nanoparticles, Langmuir-Blodgett technique, ODA monolayer}, issn = {0021-9797}, doi = {10.1016/j.jcis.2008.12.076}, author = {Pasricha, Renu and Singh, Amit and Sastry, Murali} } @article { ISI:000271280200036, title = {Short synthesis of 3,6-disubstituted N-2-thienyl/aryl-indoles}, journal = {Tetrahedron Letters}, volume = {50}, number = {47}, year = {2009}, month = {NOV}, pages = {6562-6566}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short synthetic strategy for 3,6-disubstituted-N-2-thienyl/aryl-indoles, involving reaction of substituted 2,4-difluoro/dichloro-styrene epoxide with substituted 2-formylaminothiophenes or substitued N-formylanilins in the presence of a base followed by treatment with an acid, has been developed The method was applied for the synthesis of a number of indoles with a variety of substitutents at 1, 3, and 6 positions of the indole moiety. (C) 2009 Elsevier Ltd All rights reserved.
}, keywords = {Formylaminothiophene, Gewald synthesis, Indole, Styrene epoxide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.09.049}, author = {Borate, Hanumant B. and Sawargave, Sangmeshwer P. and Maujan, Suleman R.} } @article { ISI:000264490200029, title = {Short total synthesis of (+)-cryptocarya diacetate}, journal = {Heterocycles}, volume = {77}, number = {2}, year = {2009}, month = {FEB}, pages = {945-952}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short synthesis of (+)-cryptocarya diacetate was achieved by employing three component linchpin coupling, diastereoselective reduction of beta-hydroxyketone, and Z-selective HWE reaction as key transformations.
}, keywords = {Brook Rearrangement, cryptocarya diacetate, Diastereoselective Reduction, Horner-Wadswarth-Emmons Reaction, Linchpin coupling}, issn = {0385-5414}, doi = {10.3987/COM-08-S(F)107}, author = {Gurjar, Mukund K. and Raghupathi, Neelarapu and Chorghade, Mukund S.} } @article { ISI:000266390000011, title = {Silver fused conducting fiber formation of Au-Ag core-shell nanoparticles mediated by ascorbic acid}, journal = {Plasmonics}, volume = {4}, number = {2}, year = {2009}, month = {JUN}, pages = {161-170}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
In this paper, we report the spontaneous formation of fibrous structures consisting of assemblies of Au-Ag core-shell nanoparticles (NPs) from a solution consisting of Au-Ag core-shell NPs and l-ascorbic acid (AA). AA acted both as the reducing agent for the generation of NPs and also as the mediator for the formation of fibers. The process of fiber formation involved three steps-reduction of HAuCl(4) to Au NPs by AA, subsequent formation of Au-Ag core-shell NPs after addition of AgNO(3), and spontaneous formation of fibers from the mixtures in water. It took typically about 30 days to form complete fibers that are of lengths of several hundred micrometers to millimeters, although nanofibers started forming from the first day of solution preparation. The width of each of these fibers was typically about 1-4 A mu m with length of each segment of fiber bundle, on the order of 40 A mu m. Formation of fibers was also observed in absence of AgNO(3). These fibers consisted of Au NPs and polymer of AA degradation products and were not electrically conducting. Also, low concentrations of AgNO(3) produced fibers with low electrical conductivity. However, it was observed that increase in the amount of AgNO(3) leads to the formation of fibers that were electrically conducting with conductivity values in the range of metallic conductivity. Spectroscopic and electron microscopic investigations were carried out to establish the formation of fibers. The details of fiber formation mechanism under different conditions and electrical conductivities of the fibers are discussed in the article.
}, keywords = {Ascorbic acid, core-shell, Fiber, Gold, Nanoparticles, Silver}, issn = {1557-1955}, doi = {10.1007/s11468-009-9091-5}, author = {Murugadoss, A. and Kar, Manoranjan and Pasricha, Renu and Chattopadhyay, Arun} } @article { ISI:000268726500015, title = {Simple and efficient enzymatic transglycosylation of stevioside by beta-cyclodextrin glucanotransferase from Bacillus firmus}, journal = {Biotechnology Letters}, volume = {31}, number = {9}, year = {2009}, note = {13th International Biotechnology Symposium and Exhibition (IBS-2008), Dalian, PEOPLES R CHINA, OCT 12-17, 2008}, month = {SEP}, pages = {1415-1420}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Stevioside was subjected to 1,4-intermolecular transglycosylation using beta-cyclodextrin glucanotransferase (beta-CGtase) produced from an alkalophilic strain of Bacillus firmus. The reaction was carried out by traditional, ultrasound-assisted and microwave-assisted techniques. Reaction under microwave conditions was faster and was completed in 1 min yielding two 1,4 transglycosylated products, 4{\textquoteright}-O-alpha-d-glycosyl stevioside (I) and 4{\textquoteright}{\textquoteright}-O-alpha-d-maltosyl stevioside (II) in 66\% and 24\%, respectively. The optimum transglycosylation occurred by using stevioside (1.24 mmol), beta-CD (1.76 mmol) and beta-CGtase (2 U/g) under microwave assisted reaction (MAR) in 5 ml sodium phosphate buffer (pH 7) at 50A degrees C and 80 W power. MAR is therefore potentially a useful and economical method for faster transglycosylation of stevioside.
}, keywords = {beta-cyclodextrin, beta-Cyclodextrin glucanotransferase, Microwave-assisted reaction, Stevia rebaudiana, Stevioside, Transglycosylation}, issn = {0141-5492}, doi = {10.1007/s10529-009-0020-7}, author = {Jaitak, V. and Kaul, V. Kumar and Bandna and Kumar, N. and Singh, B. and Savergave, L. S. and Jogdand, Vitthal V. and Nene, S.} } @article { ISI:000207804200008, title = {Single step synthesis and properties of M/MFe2O4 and PVDF/M/MFe2O4 (M = Co, Ni) magnetic nanocomposites}, journal = {Science of Advanced Materials}, volume = {1}, number = {3}, year = {2009}, month = {DEC}, pages = {262-268}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Metal/ferrite nanocomposites (M/MFe2O4; M = Co, Ni), consisting of nanoparticles of a metal and the corresponding metal ferrite, have been synthesized under in situ conditions by a simple and single step process. The metal/ferrite nanocomposites embedded in a polymer matrix have been prepared by a simple hot-pressing method. The performance parameters such as magnetization, coercivity, permeability and dielectric constant of the two- and three-phase nanocomposite systems are compared. The coercivity increases and the permeability decreases with increasing polymer content in the three-phase composite. Enhancement of the dielectric constant is observed at low frequencies.
}, keywords = {Dielectric, Ferrite, magnetic properties, Nanocomposite, Nanocrystalline, permeability}, issn = {1947-2935}, doi = {10.1166/sam.2009.1053}, author = {Deka, Sasanka and Joy, Pattayil Alias and Kumar, A. Pratheep} } @article { ISI:000270168600003, title = {Size-independent differences between the mean of discrete stochastic systems and the corresponding continuous deterministic systems}, journal = {Bulletin of Mathematical Biology}, volume = {71}, number = {7}, year = {2009}, month = {OCT}, pages = {1599-1611}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
In this paper, it is shown that for a class of reaction networks, the discrete stochastic nature of the reacting species and reactions results in qualitative and quantitative differences between the mean of exact stochastic simulations and the prediction of the corresponding deterministic system. The differences are independent of the number of molecules of each species in the system under consideration. These reaction networks are open systems of chemical reactions with no zero-order reaction rates. They are characterized by at least two stationary points, one of which is a nonzero stable point, and one unstable trivial solution (stability based on a linear stability analysis of the deterministic system). Starting from a nonzero initial condition, the deterministic system never reaches the zero stationary point due to its unstable nature. In contrast, the result presented here proves that this zero-state is a stable stationary state for the discrete stochastic system, and other finite states have zero probability of existence at large times. This result generalizes previous theoretical studies and simulations of specific systems and provides a theoretical basis for analyzing a class of systems that exhibit such inconsistent behavior. This result has implications in the simulation of infection, apoptosis, and population kinetics, as it can be shown that for certain models the stochastic simulations will always yield different predictions for the mean behavior than the deterministic simulations.
}, keywords = {Biochemical reaction kinetics, Continuous systems, Deterministic chemical kinetics, Discrete systems, Stochastic reaction kinetics}, issn = {0092-8240}, doi = {10.1007/s11538-009-9415-9}, author = {Gadgil, Chetan J.} } @article { ISI:000270338700005, title = {Solid acid catalysts: modification of acid sites and effect on activity and selectivity tuning in various reactions}, journal = {Catalysis Surveys from Asia}, volume = {13}, number = {3}, year = {2009}, month = {SEP}, pages = {205-220}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The effects of acidity and variation in concentration of acid sites of dodecatungstophosphoric acid (DTP), supported DTP and montmorillonite-K catalysts were studied for various organic reactions such as the hydroxyalkylation of phenols to bisphenols, intramolecular rearrangement of benzyl phenyl ether (BPE) to 2-benzyl phenol (2-BP) and selective cleavage of tert-butyldimethylsilyl (TBDMS) ether into the corresponding alcohol. Both dodecatungstophosphoric acid (DTP) impregnated on silica (SiO(2)) and montmorillonite catalysts showed the highest catalyst activity with 90-95\% selectivity to bisphenol for the hydroxyalkylation of phenols to give bisphenol. Temperature Programmed Desorption (TPD) of ammonia and activity results of various catalysts showed that an appropriate combination of both strong and weak acidic sites in the catalyst was highly desirable for high bisphenol selectivity. A 10\% DTP/SiO(2) catalyst was found to be highly selective for the cleavage of TBDMS ether into the corresponding alcohol at room temperature giving a high TON of 9.5 x 10(5) even after the 4th recycle. DTP was also found to be a promising solid acid catalyst for the intramolecular rearrangement of BPE giving 2-BP.
}, keywords = {Acidity tuning, Catalytic cleavage, Hydroxyalkylation, Intramolecular rearrangement, solid acid catalysts}, issn = {1571-1013}, doi = {10.1007/s10563-009-9078-4}, author = {Rode, C. V. and Garade, Ajit C. and Chikate, Rajeev C.} } @article { ISI:000262987800024, title = {Solid state synthesis and room temperature magnetic properties of iron phosphide nanoparticles}, journal = {Journal of Nanoparticle Research}, volume = {11}, number = {2}, year = {2009}, month = {FEB}, pages = {491-497}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Room temperature magnetic properties have been achieved for nano-crystalline iron phosphide synthesized from the direct solid state reaction of iron chloride and tri-octylphosphine (TOP). The magnetization continuously increased with higher magnetic fields, indicating a super-paramagnetic behavior. It is observed that room temperature magnetism is possible for the material showing antiferromagnetic nature at low temperatures. In the present synthesis, TOP acted as a source of phosphorus as well as a surfactant. X-ray diffraction (XRD) studies revealed that the black powder is a mixture of FeP and Fe(2)P. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) showed elongated as well spherical particles. Energy dispersion X-ray analysis (EDAX) confirmed a non-stoichiometric iron phosphide. Presence of TOP was confirmed by infra-red (IR) spectroscopy, and thermo-gravimetric analysis (TGA) indicated about 6\% wt. loss due to presence of organics.
}, keywords = {Iron phosphide, Semiconductors, Solid state reaction, synthesis, XRD}, issn = {1388-0764}, doi = {10.1007/s11051-008-9458-0}, author = {Singh, N. and Khanna, P. K. and Joy, Pattayil Alias} } @article { ISI:000271103500038, title = {Solid suspension and liquid phase mixing in solid-liquid stirred tanks}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9713-9722}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Stirred tanks are widely used in chemical process industries for catalytic reactions, dissolution of solids, crystallization, and so oil. In designing and optimizing such processes, suspension quality Of Slurry is an important parameter. Suspension quality depends upon complex interactions of impeller generated flow, turbulence, and solid loading. Most of the earlier work on solid suspension focuses Oil identifying critical impeller speed for just suspension of solids (N(js)). In this study, apart from N(js) aspects like cloud height and liquid phase mixing in solid-liquid suspensions were also studied A new way of characterizing solid-liquid suspensions and liquid phase mixing using nonintrusive wall pressure fluctuation measurements has been developed. Systematic experimental data on N(js), cloud height, power consumption, mixing time, and circulation time over a range of solid volume fraction and impeller speeds have been presented here. The results and discussion presented here will have useful implications for designing solid-liquid stirred tanks.
}, issn = {0888-5885}, doi = {10.1021/ie801858a}, author = {Sardeshpande, Madhavi V. and Sagi, Aparna R. and Juvekar, Vinay A. and Ranade, Vivek V.} } @article { ISI:000268923200029, title = {Solubilization and conformational behavior of zein in aqueous solution of dodecyldimethylethylammonium bromide (DDAB)}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {346}, number = {1-3}, year = {2009}, month = {AUG}, pages = {195-201}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The solubilization and conformational behavior of Zein in the presence of cationic surfactant, dodecyldimethylethylammonium bromide (DDAB) have been studied. The colloidal properties of DDAB in the absence and presence of Zein have also been investigated using physico-chemical and spectroscopy methods. The surfactant appears to bind to Zein at concentrations below the critical micelle concentration (cmc) and the binding becomes weaker at concentrations above the cmc. The interaction between DDAB and Zein depends on the chemical structure and molecular parameters (conformation, molar mass, charge) of the protein. The schematic sketches of the molecular mechanisms of the complex formation between like-charged proteins and surfactants have been proposed. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Absorbance spectroscopy, Aggregation number, conductivity, DDAB, FT-IR, Surface tension, viscosity, Zein}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2009.06.016}, author = {Mehta, S. K. and Bhawna and Bhasin, K. K. and Kumar, Anil} } @article { ISI:000263939200021, title = {Solvent extraction of trivalent indium from succinate solution by 2-octylaminopyridine in chloroform}, journal = {Journal of the Iranian Chemical Society}, volume = {6}, number = {1}, year = {2009}, month = {MAR}, pages = {200-212}, publisher = {IRANIAN CHEMICAL SOC}, address = {NO 7, MARAGHEH ST, OSTAD NEJATOLLAHI AVE, PO BOX 15875-1169, TEHRAN, 00000, IRAN}, abstract = {
Extraction processes of indium(III) with 2-octylaminopyridine (2-OAP) from media of various complexing ability, succinate and salicylate, in chloroform have been elucidated. The ion-pair complex has also quantitative extraction in xylene and 1,2-dichloroethane. Indium(III) from organic phase was stripped with 1.0 M hydrochloric acid and determined complexometrically with EDTA. The stoichiometry of the extracted species was found out on the basis of slope analysis. The extraction of indium(III) proceeds by an anion exchange mechanism and the extracted species is [RR{\textquoteright}NH(2)(+)In(succinate)(2)(-)]((org)). Temperature dependence of the extraction equilibrium constant was also examined to estimate the apparent thermodynamic functions (Delta H, Delta G and Delta S) for extraction reaction. It is possible to separate indium(III) from Zn(II), Cd(II), Pb(II), Hg(II), Bi(III), Tl(I), Tl(III), Ga(III), Al(III), Te(IV), Se(IV), Sb(III), Fe(III) and Sn(IV). The method is simple, rapid and reproducible and can be used to determine the indium from samples like alloys.
}, keywords = {2-OAP, Binary separations, Indium(III), liquid-liquid extraction, Sodium succinate}, issn = {1735-207X}, author = {Mahamuni, Sandip V. and Kolekar, S. S. and Wadgaonkar, P. P. and Anuse, Mansing A.} } @article { ISI:000266780000004, title = {Solvent-induced self-assembly in cardanol-based urethane methacrylate comb polymers}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {47}, number = {12}, year = {2009}, month = {JUN}, pages = {2996-3009}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
We report side chain urethane-methacrylate comb polymers based on the renewable resource cardanol and its saturated analogue 3-pentadecyl phenol and their self-assembly into pores, spheres, vesicles, tubes, and so forth. The monomers were synthesized in one pot by coupling 1 equiv. of isophorone diisocyanate with 1 equiv. of cardanol/pentadecyl phenol followed by coupling with 1 equiv. of hydroxyethyl methacrylate. They were polymerized free radically using benzoyl peroxide as the initiator and were characterized by NMR and FTIR, and their molecular weights were determined by gel permeation chromatography. The unique polymer design had sites for self-organization via hydrogen bonding of the side chain urethane units, pi-pi stacking interactions of the aromatic units as well as interdigitation of the long C(15) alkyl side chains in the polymer. The morphologies of solvent cast polymer films were studied using microscopic techniques such as scanning electron microscopy, transmission electron microscopy, and atomic force microscopy. The polymers exhibited three-dimensional honeycomb morphology in CHCl(3), whereas in tetrahydrofuran, they formed spheres. The direct cardanol-derived polymer PCIH showed a tendency for multiple morphologies such as spheres and tubes in tetrahydrofuran. (C) 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 2996-3009, 2009
}, keywords = {Morphology, polyurethanes, Renewable resources, self-organization}, issn = {0887-624X}, doi = {10.1002/pola.23383}, author = {Rekha, N. and Asha, S. K.} } @article { ISI:000270842400009, title = {Somatic embryogenesis from the axillary meristems of peanut (Arachis hypogaea L.)}, journal = {Plant Biotechnology Reports}, volume = {3}, number = {4}, year = {2009}, month = {OCT}, pages = {333-340}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Developmental anomalies in the plumule meristem of peanut (Arachis hypogaea L.) somatic embryos resulted in poor shoot differentiation and reduced plant recovery. Existing meristems with caulogenic potential have never been tested for embryogenesis in peanut. The present experiment was designed to test the mature zygotic embryo axis derived plumule with three meristems for somatic embryogenesis. Embryogenic masses and embryos developed from the caulogenic meristems in the axils. Exposure of 2 weeks in primary medium with 90.5 A mu M 2,4-D suppressed the shoot tip differentiation temporarily which then regained the ability to form the shoot on withdrawal of 2,4-D. Exposure of 4 weeks in primary medium with 90.5 A mu M 2,4-D suppressed the shoot tip differentiation irreversibly. No shoot formation was noted from the tips in any of the cultures which were in secondary medium with 13.6 A mu M 2,4-D. Development of somatic embryos directly from axillary meristems was confirmed histologically. Conversion frequency of these embryos was 11\%. Thus, in this report, we describe a method to obtain somatic embryos from the determined organogenic buds of the axillary meristem, by culturing the nodal explant vertically on embryo induction medium. It also displays the possibility of obtaining both embryogenic and organogenic potential in two parts of the same explant simultaneously. The possibility of extending this approach for genetic transformation in in vivo system through direct DNA delivery or Agrobacterium injection in meristems can also be explored. Using Agrobacterium rhizogenes, we have demonstrated the possibility of gene transfer in the axillary meristems of seed-derived plumule explant.
}, keywords = {Apical meristem, Axillary meristem, Mature zygotic embryo axis, Peanut, somatic embryogenesis}, issn = {1863-5466}, doi = {10.1007/s11816-009-0107-6}, author = {Singh, Shweta and Hazra, Sulekha} } @article { ISI:000269197400020, title = {Some mechanistic insights into the gelation of regenerated silk fibroin sol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {17}, year = {2009}, month = {SEP}, pages = {8014-8023}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We provide some new insights into the kinetics and mechanism of sol-gel transition as it pertains to regenerated silk fibroin, which is the principle structural protein of silkworm silk fiber. Silk fibroin was dissolved in lithium bromide and dialyzed against deionized water to prepare a regenerated fibroin solution. This solution was found to be unstable at lower pH and transformed into a colloidal gel. The kinetics and mechanism of the sol-gel transition were investigated using rheology and light scattering. We show that gelation proceeds in two steps. In the first step, a weak gel is formed almost immediately upon lowering the pH, while in the second step further gelation proceeds rapidly after a long induction time to form a self-similar structure.
}, issn = {0888-5885}, doi = {10.1021/ie801723f}, author = {Nagarkar, Shailesh and Patil, Avinash and Lele, Ashish K. and Bhat, Suresh K. and Bellare, Jayesh R. and Mashelkar, Raghunath Anant} } @article { ISI:000267478600011, title = {Spatial and temporal expression patterns of diverse Pin-II proteinase inhibitor genes in Capsicum annuum Linn}, journal = {Gene}, volume = {442}, number = {1-2}, year = {2009}, month = {AUG}, pages = {88-98}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Pin-II type proteinase inhibitor (PI) genes were cloned from fruit and stem tissues of Capsicum annuum L var Phule Jyoti using primers designed from reported CanPI gene sequence (AF039398). In total, 21 novel CanPIs, members of the Pin-II PI family, were identified in the study, with three isoforms of 1-inhibitory repeat domain (IRD), eight isoforms of 2-IRD), three isoforms of 3-IRD, five isoforms of 4-IRD and two partial CanPI sequences. Most of the sequences showed variation (2 to 20\%) in the deduced AA sequences which were pronounced close to the reactive site loop. Expression patterns of CanPIs in the fruit and stem tissues of mature C. annuum plants were shown to vary qualitatively and quantitatively using semi-quantitative RT-PCR expression analysis. In the fruit tissue. CanPIs with different IRDs (from 1 to 4) were expressed simultaneously. In stem tissue, 1- and 2-IRD CanPIs were strongly expressed along moderate expression of 3- and 4-IRD genes. Analysis of CanPI protein activity showed a range of active forms across the tissues. CanPI expression was differentially up-regulated upon wounding and insect attack. Although infestation by aphids (Myzus persicae) and lepidopteran pests (Spodoptera litura) specifically induced 4-IRD CanPIs, virus-infected leaves did not affect CanPI expression. Analysis of CanPI protein activity indicated that the up-regulation in CanPI expression was not always correlated with increase in PI activity. Our results demonstrated that CanPI expression is regulated spatially, temporally as well as qualitatively and quantitatively. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {CanPI, Capsicum annuum, Endogenous role, Pin-II, Plant defense, Proteinase inhibitor}, issn = {0378-1119}, doi = {10.1016/j.gene.2009.04.012}, author = {Tamhane, Vaijayanti A. and Giri, Ashok P. and Kumar, Pavan and Gupta, Vidya S.} } @article { ISI:000271603000046, title = {Stereo-controlled approach to pyrrolidine iminosugar C-glycosides and 1,4-dideoxy-1,4-imino-L-allitol using a D-mannose-derived cyclic nitrone}, journal = {Tetrahedron Letters}, volume = {50}, number = {49}, year = {2009}, month = {DEC}, pages = {6906-6908}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Intramolecular N-alkylation of 2,3-O-isopropylidene-5-O-methanesulfonyl-6-O-t-butyldimethylsilyl-D-mann ofuranose-oxime 7 afforded a five-membered cyclic nitrone 9, which on N-O bond reductive cleavage followed by deprotection of -OTBS and acetonide functionalities gave 1,4-dideoxy-1,4-imino-L-allitol (DIA) 3. Addition of allylmagnesium chloride to nitrone 9 afforded alpha-allylated product 10a in high diastereoselectivity providing an easy entry to N-hydroxy-C1-alpha-allyl-substituted pyrrolidine iminosugar 4a after removal of protecting group, while N-O bond reductive cleavage in 10a afforded C1-alpha-allyl-pyrrolidine iminosugar 4b. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Cyclic nitrone, Enzyme inhibitors, Iminosugars, pyrrolidine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.09.139}, author = {Bande, Omprakash P. and Jadhav, Vrushali H. and Puranik, Vedavati G. and Dhavale, Dilip D. and Lombardo, Marco} } @article { ISI:000269337500025, title = {Stereoselective construction of steroidal side chain from 16-dehydropregnenolone acetate}, journal = {Synlett}, number = {12}, year = {2009}, month = {JUL}, pages = {2005-2009}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Stereoselective construction of steroidal side chain at C-20 having {\textquoteleft}natural{\textquoteright} configuration using 16-dehydropregnalone acetate (16-6PA) as a starting material has been carried out. Palladium-catalyzed carbon-carbon bond-forming Heck reaction between C-20 vinyl iodide with methyl acrylate and transfer hydrogenation with triethylsilane and Pd/C are the key steps for stereoselective side-chain synthesis.
}, keywords = {16-dehydropregnenolone acetate, Heck coupling, stereoselectivity, steroidal side chain, transfer hydrogenation}, issn = {0936-5214}, doi = {10.1055/s-0029-1217521}, author = {Aher, Nilkanth G. and Gonnade, Rajesh G. and Pore, Vandana S.} } @article { ISI:000266930900018, title = {Stereoselective one-step construction of vicinal quaternary and tertiary stereocenters of the 5,10b-ethanophenanthridine skeleton: total synthesis of (+/-)-maritidine}, journal = {Organic Letters}, volume = {11}, number = {12}, year = {2009}, month = {JUN}, pages = {2547-2550}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The challenging vicinal quaternary and tertiary stereocenters of the 5,10b-ethanophenanthridine skeleton are created in a single step utilizing intramolecular [3 + 2]-cycloaddition of nonstabilized azomethine ylide as the key step. The application of the chemistry is demonstrated by synthesizing (+/-)-maritidine.
}, issn = {1523-7060}, doi = {10.1021/ol900806m}, author = {Pandey, Ganesh and Gupta, Nishant R. and Pimpalpalle, Tukaram M.} } @article { ISI:000264648900011, title = {Stereoselective synthesis of (+)-isoindolo-beta-carboline}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {2}, year = {2009}, month = {FEB}, pages = {220-224}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Starting from homophthalic anhydride and (S)-tryptophan, the stereoselective synthesis of (+)-isoindolo-beta-carboline has been described via the corresponding homophthalimide, its chemoselective oxidative ring contraction, and the intramolecular dehydrative ring closure followed by a geometry-specific demethoxycarbonylation. (C) 2009 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.01.001}, author = {Wakchaure, Prasad B. and Puranik, Vedavati G. and N. P. Argade} } @article { ISI:000271055100016, title = {Stereoselective synthesis of the densely functionalized C1-C9 fragment of amphidinolides C and F}, journal = {Tetrahedron Letters}, volume = {50}, number = {46}, year = {2009}, month = {NOV}, pages = {6276-6279}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The synthesis of the C1-C9 subunit of amphidinolides C and F is described. Key steps include tandem Sharpless asymmetric dihydroxylation-S(N)2 cyclization reaction, Lewis acid-mediated epoxide opening, Wittig reaction, and Wacker oxidation. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Amphidinolide C and F, Cytotoxic, Tandem dihydroxylation-S(N)2, Wacker oxidation, Wittig reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.09.001}, author = {Mohapatra, Debendra K. and Dasari, Pavankumar and Rahaman, Hasibur and Pal, Rita} } @article { ISI:000266269600030, title = {Sterically controlled naphthalene homo-oligoamides with novel structural architectures}, journal = {Organic \& Biomolecular Chemistry}, volume = {7}, number = {11}, year = {2009}, month = {MAR}, pages = {2458-2465}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein we report novel naphthalene homo-oligoamides, derived from 4-amino-3-methoxy-naphthalene-2-carboxylic acid and 4-amino-1-methoxy-naphthalene-2-carboxylic acid as monomer building blocks, that display an anti-periplanar arrangement of the naphthyl rings, primarily induced by steric interactions between adjacent groups and functionalities.
}, issn = {1477-0520}, doi = {10.1039/b822076j}, author = {Prabhakaran, Panchami and Puranik, Vedavati G. and Chandran, Jima N. and Rajamohanan, P. R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000263683800007, title = {Strain improvement and up scaling of phytase production by aspergillus niger NCIM 563 under submerged fermentation conditions}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {36}, number = {3}, year = {2009}, month = {MAR}, pages = {373-380}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
Combination of physical and chemical mutagenesis was used to isolate hyper secretory strains of Aspergillus niger NCIM 563 for phytase production. Phytase activity of mutant N-1 and N-79 was about 17 and 47\% higher than the parent strain. In shake flask the productivity of phytase in parent, mutant N-1 and N-79 was 6,181, 7,619 and 9,523 IU/L per day, respectively. Up scaling of the fermentation from shake flask to 3 and 14 L New Brunswick fermenter was studied. After optimizing various fermentation parameters like aeration, agitation and carbon source in fermentation medium the fermentation time to achieve highest phytase activity was reduced considerably from 14 days in shake flask to 8 days in 14 L fermenter. Highest phytase activity of 80 IU/ml was obtained in 1\% rice bran-3.5\% glucose containing medium with aeration 0.2 vvm and agitation 550 rpm at room temperature on 8th day of fermentation. Addition of either bavistin (0.1\%), penicillin (0.1\%), formalin (0.2\%) and sodium chloride (10\%) in fermented broth were effective in retaining 100\% phytase activity for 8 days at room temperature while these reagents along with methanol (50\%) and ethanol (50\%) confer 100\% stability of phytase activity at 4A degrees C till 20 days. Among various carriers used for application of phytase in feed, wheat bran and rice bran were superior to silica and calcium carbonate. Thermo stabilization studies indicate 100\% protection of phytase activity in presence of 12\% skim milk at 70A degrees C, which will be useful for its spray drying.
}, keywords = {Agriculture residue, Aspergillus niger, Phytase, phytate degradation, Poultry feed supplement, Submerged fermentation}, issn = {1367-5435}, doi = {10.1007/s10295-008-0506-7}, author = {Shah, P. and Bhavsar, Kavita P. and Soni, S. K. and Khire, Jayant Malhar} } @article { ISI:000267546200006, title = {Structural characterization of azoic dye hosted layered double hydroxides}, journal = {Zeitschrift fur Kristallographie}, volume = {224}, number = {5-6}, year = {2009}, month = {JAN}, pages = {282-286}, publisher = {OLDENBOURG VERLAG}, address = {LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY}, abstract = {
The removal of methyl orange (MO) from an aqueous solution was performed using layered double hydroxides (LDHs) in a move to develop cleaning processes of effluents contaminated with dye molecules. The intercalation of the guest anionic MO species into host M(II)/Al(III) LDHs differing by the nature of the divalent cations (M(II) = Mg, Ni or Zn) was achieved by anionic exchange of the initially NO(3)(-) present in the interlayer space and led to MO/LDH intercalation compounds. The exchange process was followed by XRD and UV-visible absorption spectroscopy at different stages. Almost all MO in solution is uptaken by the Mg-containing LDH in the concentration range corresponding to its anionic exchange capacity (AEC). A lower exchange is reached with the Ni- and Zn-containing LDHs, for which the diffusion of MO is limited due to a larger crystallite size. MO-Zn/Al LDH intercalation compounds exhibit the highest crystallinity and display a remarkable stacking of the layers at maximal MO exchange. This behaviour can be assigned to the higher intrinsic charge density of the host layers in agreement with its lower M(II)/Al(III) molar ratio (Zn(II)/Al(III) approximate to 1.5 whereas Mg(II)/Al(III) and Ni(II)/Al(III) = 2). The maximum amount of MO retained by the different LDHs is higher for Mg-containing LDH, than for Ni- and Zn-containing LDH, reaching respectively 1.15, 0.84 and 0.77 g/g.
}, keywords = {Anionic exchange, Depollution, layered double hydroxides, Methyl orange, X-ray diffraction}, issn = {0044-2968}, doi = {10.1524/zkri.2009.1150}, author = {Mandal, Sujata and Lerner, Dan A. and Marcotte, Nathalie and Tichit, Didier} } @article { ISI:000271542900148, title = {On the structural, magnetic and electrical properties of sol-gel derived nanosized cobalt ferrite}, journal = {Journal of Alloys and Compounds}, volume = {485}, number = {1-2}, year = {2009}, month = {OCT}, pages = {711-717}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Nanoparticles of cobalt ferrite were synthesized by sol gel method. These particles were structurally characterized by using X-Ray Diffraction and Transmission Electron Microscopy, High Resolution Transmission Electron Microscopy, Energy Dispersive Spectrum and Inductively Coupled Plasma Analysis and the results confirmed the formation of spherically shaped nanoparticles of cobalt ferrite having a size lying in the range of 13-14 nm. The as prepared sample was sintered at 800 degrees C and the structural, magnetic and dielectric properties were measured. The dielectric properties were studied and analyzed as a function of temperature and frequency. The ac and dc conductivity studies were carried out to delve into the conduction mechanism. The existing models based on quantum mechanical tunneling were effectively employed to explain the frequency dependent conductivity. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Electronic Transport, Magnetic measurements, Magnetically ordered materials, Nanostructures, Scanning and transmission electron microscopy, Sol-gel synthesis, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.06.033}, author = {Gopalan, E. Veena and Joy, Pattayil Alias and Al-Omari, I. A. and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000264717200003, title = {Structural phase transitions of syndiotactic polystyrene}, journal = {Progress in Polymer Science}, volume = {34}, number = {3}, year = {2009}, month = {MAR}, pages = {280-315}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Syndiotactic polystyrene (sPS) exhibits four crystal modifications (alpha, beta, gamma, and delta), along with intermediate forms with different molecular conformations, as well as different chain-packing structures. The extensive literature on the crystal structures exhibited by sPS is reviewed herein, including, the mechanisms of phenomena such as solvent-induced crystallization, thermally induced crystallization and gelation, and the phase transitions among the various crystalline forms. The latter have been studied by static and dynamic wide-angle and small-angle X-ray scattering, infrared and Raman spectra, and neutron scattering, etc., in addition to computer simulations. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {crystal structure, Gelation, phase transition, polymorphism, Solvent-induced crystallization, Syndiotactic polystyrene}, issn = {0079-6700}, doi = {10.1016/j.progpolymsci.2008.11.002}, author = {Gowd, E. Bhoje and Tashiro, Kohji and Ramesh, C.} } @article { ISI:000271812000007, title = {Studies of anion transport through supported liquid membrane}, journal = {Analytical Letters}, volume = {42}, number = {18}, year = {2009}, month = {NOV}, pages = {PII 916769949}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Transport studies of anions were investigated through cellulose triacetate supported liquid membrane. The experimental variables explored were concentration of anions, sodium hydroxide, and stirring speed. The two-channel membrane system has been explored for the transport of carbonate ions from source to receiving phases. Carbonate ions are selectively transported through the cellulose triacetate supported liquid membrane in comparison with that of nitrate and sulfate. Sulfate and nitrate anions are strongly held in the cellulose triacetate membrane, and then stripped out later. Carbonate ions are loosely bound to the cellulose triacetate membrane and stripped out earlier.
}, keywords = {Anions, cellulose triacetate membrane, solvent effect, stability of supported liquid membrane, two-channel membrane system}, issn = {0003-2719}, doi = {10.1080/00032710903202063}, author = {Gaikwad, Abaji G.} } @article { ISI:000268967200075, title = {Studies on biological reduction of chromate by Streptomyces griseus}, journal = {Journal of Hazardous Materials}, volume = {169}, number = {1-3}, year = {2009}, month = {SEP}, pages = {539-545}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Chromium is a toxic heavy metal used in various industries and leads to environmental pollution due to improper handling. The most toxic form of chromium Cr(VI) can be converted to less toxic Cr(III) by reduction. Among the actinomycetes tested for chromate reduction, thirteen strains reduced Cr(VI) to Cr(III), of which one strain of Streptomyces griseus (NCIM 2020) was most efficient showing complete reduction within 24h. The organism was able to use a number of carbon sources as electron donors. Sulphate, nitrate, chloride and carbonate had no effect on chromate reduction during growth while cations such as Cd, Ni, Co and Cu were inhibitory to varying degrees. Chromate reduction was associated with the bacterial cells and sonication was the best method of cell breakage to release the enzyme. The enzyme was constitutive and did not require presence of chromate during growth for expression of activity. Chromate reduction with cell free extract (CFE) was observed without added NADH. However, addition of NAD(P)H resulted in 2-3-fold increase in activity. Chromate reductase showed optimum activity at 28 degrees C and pH 7 (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Bioreduction, Chromate reductase, Hexavalent chromium, Streptomyces griseus}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2009.03.126}, author = {Poopal, Ashwini C. and Laxman, Ryali Seeta} } @article { ISI:000269792800010, title = {Studies on carbonate ion transport through supported liquid membrane using primene JMT and tributyl phosphate}, journal = {Separation Science and Technology}, volume = {44}, number = {11}, year = {2009}, month = {AUG}, pages = {2626-2644}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A supported liquid membrane system consisting of source, receiving and membrane phases, in which mixed extractants were used in the membrane phase, was explored for the carbonate ion transport from source to receiving through membrane phase. Primary amine Primene JMT and TBP were used as extractants (carriers) in liquid membrane phase. Different experimental variables such as concentration of carbonate ion, carriers, alkali and hydrogen peroxide, stirring speed, etc have been investigated. Primary amine Primene JMT and TBP mixed carriers show the synergistic effect for the transport of carbonate ions through supported liquid membrane system. The stability of the supported liquid membrane system has been explored for 50 h. The pre-concentration of carbonate ions from dilute solutions were also demonstrated. The effect of different alkalis on the permeability coefficient of transport of carbonate ions through supported liquid membrane system has been investigated. The primary amine in combination with TBP shows more effective for the transport of carbonate ions through supported liquid membrane system in comparison with that of secondary and tertiary amines.
}, keywords = {carbonate ion, primary amine primene JMT, supported liquid membrane, synergistic effect, tributyl phosphate (TBP)}, issn = {0149-6395}, doi = {10.1080/01496390902886062}, author = {Gaikwad, Abaji G.} } @article { ISI:000270872200003, title = {Studies on transport of carbonate ions through a supported liquid membrane}, journal = {Chemical and Biochemical Engineering Quarterly}, volume = {23}, number = {3}, year = {2009}, month = {SEP}, pages = {267-275}, publisher = {CROATIAN SOC CHEMICAL ENGINEERING TECHNOLOGY}, address = {BERISLAVICEVA 6, PO BOX 123, HR-10000 ZAGREB, CROATIA}, abstract = {
The transport of carbonate ions through a supported liquid membrane in the presence and absence of carriers has been explored. The liquid membrane used was the combined liquid cation and anion exchangers in toluene immobilized in the porous polypropylene support. The permeability coefficient (P) of carbonate ions transport from the source to receiving through membrane phase has been estimated. The different experimental variables such as the concentration of carbonate ions in source phase, the concentration of Aliquat-336 (tricapryl(methyl)ammonium carbonate) and PC-88A (2-ethyl-hexyl phosphonic acid mono-2-ethylhexyl ester) in membrane phase, alkali metal hydroxide concentration in receiving phase, and the stirring speed of the Source phase and receiving phase have been explored. The stability of liquid membrane phase during the transport of carbonate ions from source phase to receiving phase was tested for 50 h. The enrichment factor for carbonate ion transport from the source to receiving phase was found to be higher at lower concentrations of carbonate ions in comparison with that of at higher concentrations. A model has been developed for the effective transport of carbonate ions through the cross section area of liquid membrane phase from source to receiving phase.
}, keywords = {alkali metal hydroxide, carbonate ions, liquid anion and cation exchangers, permeability coefficient, supported liquid membrane}, issn = {0352-9568}, author = {Gaikwad, Abaji G.} } @article { ISI:000264490200027, title = {Studies toward the total synthesis of carba analogue of motif C OF M. TB cell wall AG complex}, journal = {Heterocycles}, volume = {77}, number = {2}, year = {2009}, month = {FEB}, pages = {909-925}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Herein we describe the synthesis of the carba analogue of motif C of arabinogalactan complex present in M tuberculosis cell wall. Pd(0) catalyzed allylic alkylation and Fraser-Reid{\textquoteright}s glycosidation are the two key reactions that were employed for the synthesis of central glycosyl accepter unit and the glycosylation respectively.
}, keywords = {Allylic Alkylation, desymmetrization, Fraser-Reid{\textquoteright}s Glycosidation, M. Tb Ag Complex, Mycobacterium tuberculosis}, issn = {0385-5414}, doi = {10.3987/COM-08-S(F)59}, author = {Gurjar, Mukund K. and Reddy, Challa Nageswar and Kalkote, Uttam R. and Chorghade, Mukund S.} } @article {43243, title = {Study of cumulant approximations to n-electron valence multireference perturbation theory}, journal = {Journal of Chemical Physics}, volume = {130}, year = {2009}, month = {MAY}, pages = {Article Number: 194107}, abstract = {We investigate the possibility of reducing the complexity of multireference perturbation theory through cumulant based approximations to the high-order density matrices that appear in such theories. Our test cases show that while the cumulant approximated forms are degraded in accuracy relative to the parent theory and exhibit intruder state problems that must be carefully handled, they may provide a route to a simple estimation of dynamic correlation when the parent perturbation theory is infeasible. Nonetheless, further work is clearly needed on better approximations to the denominators in the perturbation theory.}, doi = {10.1063/1.3132922}, author = {Zgid, Dominika and Ghosh, Debashree and Neuscamman, Eric and Chan, Garnet Kin-Lic} } @article { ISI:000270275800002, title = {Study of dielectric behavior in PVDF/clay nanocomposites}, journal = {E-Polymers}, year = {2009}, month = {SEP}, pages = {112}, publisher = {EUROPEAN POLYMER FEDERATION}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {
A high dielectric permittivity nanocomposite based on poly( vinylidene fluoride) (PVDF) and organically modified clay is reported. The present work aims to study the effect of clay on dielectric behavior of PVDF. The dielectric permittivity study shows a remarkable enhancement in the permittivity of nanocomposites in the low frequency region. The obtained permittivity values fits quite well to the prediction of dielectric permittivity from Vo-Shi model, which takes contribution of interface to permittivity into account. This enhanced permittivity in nanocomposites is attributed to the presence of interfacial polarization. The interface effect is further studied with cole-cole plot analysis. The dielectric loss study of pristine PVDF shows two relaxations associated with segmental (glass transition relaxation) and crystalline chain relaxation. However in the PVDF/Clay nanocomposites crystalline relaxation peak disappears which is attributed to the formation of the beta phase in PVDF/clay nanocomposites.
}, issn = {1618-7229}, author = {Chanmal, Chetan and Jog, Jyoti Prakash} } @article { ISI:000208013800005, title = {Superparamagnetic nanocomposite of magnetite and activated carbon for removal of dyes from waste water}, journal = {Nanoscience and Nanotechnology Letters}, volume = {1}, number = {3}, year = {2009}, month = {DEC}, pages = {171-175}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Nanocomposite of superparamagnetic Fe(3)O(4) and activated carbon (AC) is synthesized at room temperature and characterized by various techniques. Magnetic measurements indicated that the Fe(3)O(4) nanoparticles are isolated by the AC particles. The magnetic fluid obtained by dispersion of the nanocomposite in water is found to be relatively stable. The dispersion is found to be very efficient for the removal of methylene blue dye from water. Thus, the nanocomposite is highly suitable for removing dissolved dyes and other contaminants from waste water by a simple magnetic separation process after adsorption on AC.
}, keywords = {Magnetic Separation, Nanocomposite, Superparamagnetism, Water Purification}, issn = {1941-4900}, doi = {10.1166/nnl.2009.1031}, author = {Thakuria, Pankaj and Joy, Pattayil Alias} } @article { ISI:000268042800012, title = {Support modification to improve the sulphur tolerance of Ag/Al2O3 for SCR of NOx with propene under lean-burn conditions}, journal = {Applied Catalysis B-Environmental}, volume = {90}, number = {3-4}, year = {2009}, month = {AUG}, pages = {416-425}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Ag/Al2O3 catalysts with 1 wt\% SiO2 or TiO2 doping in alumina support have been prepared by wet impregnation method and tested for sulphur tolerance during the selective catalytic reduction (SCR) of NOx using propene under lean conditions, Ag/Al2O3 showed 44\% NOx conversion at 623 K, which was drastically reduced to 21\% when exposed to 20 ppm SO2. When Al2O3 support in Ag/Al2O3 Was doped with 1 wt\% SiO2 or TiO2 the NOx conversion remained constant in presence of SO2 showing the improved sulphur tolerance of these catalysts. Subsequent water addition does not induce significant deactivation. On the contrary, a slight promotional effect on the activity of NO conversion to nitrogen is observed after Si and Ti incorporation. FTIR study showed the sulphation of silver and aluminum sites of Ag/Al2O3 catalysts resulting in the decrease in the formation of reactive intermediate species such as -NCO, which in turn decreases NOx conversion to N-2. In the case of Ag/Al2O3 doped with SiO2 or TiO2, formation of silver sulphate and aluminum sulphate was drastically reduced, which was evident in FTIR resulting in remarkable improvement in the sulphur tolerance of Ag/Al2O3 catalyst. These catalysts before and after the reaction have been characterized with various techniques (XRD, BET surface area, transmittance FTIR and pyridine adsorption) for physico-chemical properties. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Ag/Al2O3, Aluminum sulphate, DRIFTS, Selective catalytic reduction, Silver sulphate, SiO2, Sulphur tolerance, TiO2}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2009.04.001}, author = {Jagtap, Neelam and Shubhangi B. Umbarkar and Miquel, Pierre and Granger, Pascal and Dongare, Mohan K.} } @article { ISI:000269259100007, title = {Supported nano-gold catalysts for epoxidation of styrene and oxidation of benzyl alcohol to benzaldehyde}, journal = {Topics in Catalysis}, volume = {52}, number = {12}, year = {2009}, month = {NOV}, pages = {1677-1687}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Nano-gold particles supported on different alkaline earth oxides (viz. MgO, CaO, BaO and SrO), Gr. IIIa metal oxides (viz. Al(2)O(3), Ga(2)O(3), In(2)O(3) and Tl(2)O(3)), transition metal oxides (viz. TiO(2), Cr(2)O(3), MnO(2), Fe(2)O(3), CoO(x), NiO, CuO, ZnO, Y(2)O(3) and ZrO(2)), rare earth metal oxides (viz. La(2)O(3), Ce(2)O(3), Nd(2)O(3), Sm(2)O(3), Eu(2)O(3), Tb(2)O(3), Er(2)O(3) and Yb(2)O(3)) and U(3)O(8) [all prepared by depositing gold on corresponding metal oxide support by deposition precipitation (DP) and/or homogeneous deposition precipitation (HDP) method] were evaluated for their catalytic performance in the liquid phase epoxidation of styrene by tert-butyl hydroperoxide (TBHP) to styrene oxide and also in the solvent-free benzyl alcohol-to-benzaldehyde oxidation (by molecular oxygen or TBHP) reactions. For the epoxidation, the catalytic performance (styrene oxide yield) of the most promising nano-gold catalysts prepared by the HDP method was in the following order: Au/MgO \> Au/Tl(2)O(3) \> Au/Yb(2)O(3) \> Au/Tb(2)O(3) \> Au/CaO (or TiO(2)). However, for the oxidation of benzyl alcohol to benzaldehyde by molecular oxygen, the order of choice for the most promising catalysts (based on benzaldehyde yield) was Au/U(3)O(8) \> Au/Al(2)O(3) \> Au/ZrO(2) \> Au/MgO. Whereas, when TBHP was used as an oxidizing agent for the benzyl alcohol oxidation, the order of choice for the most promising catalysts was Au/U(3)O(8) \> Au/MgO \> Au/TiO(2) \> Au/ZrO(2) \> Au/Al(2)O(3). The catalytic performance of a particular supported nano-gold catalyst was thus found to depend on the reaction catalysed by them. Moreover, it is strongly influenced by a number of catalyst parameters, such as the metal oxide support, the method of gold depositon on the support, the gold loading and also on the catalyst calcination temperature. Nano-gold particles-support interactions seem to play an important role in controlling the deposition of gold ( amount of gold deposited and size and morphology of gold particles), formation of different surface gold species (Au(0), Au(1+) and Au(3+)) and electronic properties of gold particles and, consequently, control the catalytic performance (both the activity and selectivity) of the supported nano-gold catalysts in the reactions. The nano-gold catalysts prepared by the HDP method showed much better catalytic performance than those prepared by the DP, coprecipitation or impregnation method; in general, the HDP method provided supported gold catalysts with much higher gold loading and/or smaller size gold particles than that achieved by the DP and other methods.
}, keywords = {Benzaldehyde, Benzyl alcohol, epoxidation, Metal oxide supports, Nano-gold catalysts, Oxidation, styrene, Styrene oxide}, issn = {1022-5528}, doi = {10.1007/s11244-009-9306-1}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @article { ISI:000265030500015, title = {Supramolecular ring banded prototype liquid crystalline oligo(phenylenevinylene)}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {15}, year = {2009}, month = {APR}, pages = {5083-5091}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report a new ring banded supramolecular structure in thermotropic liquid crystalline oligo(phenylenevinylene) (OPV) via a melt crystallization process. A series of structurally different OPV molecules were synthesized using tricyclodecanemethanol (TCD) as a bulky pendant unit to trace ring banded morphology. Among all, an OPV molecule with rigid bis-TCD units in the central core and flexible dodecyl chains at the outer phenyl rings (BTCD-BDD-OPV) was found to show ring banded morphologies, which is a first of its kind in T-conjugated materials. BTCD-BDD-OPV experiences strong aromatic pi-pi interactions in both film and liquid crystalline (LC) frozen stage. The pi-induced aggregation leads to lamellar self-assembly of OPV-mesogens that subsequently undergo helical crystal growth, thereby producing dark and bright ring banded patterns. Variable temperature X-ray diffraction analysis revealed the existence of three peaks at 27.07, 13.97, and 8.90 angstrom corresponding to 001, 002, and 003 fundamental layers, respectively, thus confirming the lamellar self-assembly of OPV-mesogens. Electron microscopic (SEM and TEM) analysis of the LC frozen sample showed images confirming helical microcrystalline assembly and providing direct evidence for the self-organization mechanism. Detailed photophysical experiments such as excitation, emission, and timeresolved fluorescence decay studies indicated that BTCD-BDD-OPV has very strong pi-pi interaction in both film and LC frozen stage, which was found to be main driving force for the formation of supra-ring structure. Upon illumination with light, the OPV chromophores in the LC phase were excited and the color of the samples turned into luminescent green ring bands.
}, issn = {1520-6106}, doi = {10.1021/jp809994t}, author = {Amrutha, S. R. and Jayakannan, M.} } @article { ISI:000264024200006, title = {Supramolecular synthesis of some molecular adducts of 4,4 {\textquoteleft}-bipyridine N,N {\textquoteleft}-dioxide}, journal = {New Journal of Chemistry}, volume = {33}, number = {1}, year = {2009}, month = {OCT}, pages = {57-63}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Molecular adducts (1a-1e) of 4,4{\textquoteright}-bipyridine N,N{\textquoteright}-dioxide, 1, respectively with cyanuric acid, trithiocyanuric acid, 1,3,5-trihydroxybenzene ( phloroglucinol), 1,3-dihydroxybenzene ( resorcinol) and 1,2,4,5-benzenetetracarboxylic acid have been reported. The major interactions observed in the structures 1a-1e are N-H center dot center dot center dot O, N-H center dot center dot center dot S, O-H center dot center dot center dot O and C-H center dot center dot center dot O, in the form of homomeric and heteromeric patterns of the constituents, either as a single or cyclic hydrogen-bonded motifs. While in the adduct 1a, both homomeric and heteromeric units of both the constituents were observed, no heteromeric interactions were observed in 1b and 1c. In addition, in 1b, homomeric aggregation of molecules of 1 occurred in association with water molecules. However, while heteromeric interactions prevail between the constituents in 1d and 1e, only one of the co-crystallizing species gave homomeric interactions (4,4{\textquoteright}-bipyridine N,N{\textquoteright}-dioxide in 1d; 1,2,4,5-benzenetetracarboxylic acid in 1e). Further, in either type of the patterns, the cyclic motifs are formed as a pair-wise hydrogen bonds comprising of strong and weak hydrogen bonds (N-H center dot center dot center dot O/C-H center dot center dot center dot O or O-H center dot center dot center dot O/C-H center dot center dot center dot O). In three-dimensions, the ensembles of molecules yield planar sheets, ladders and pseudorotaxane type assemblies.
}, issn = {1144-0546}, doi = {10.1039/b807853j}, author = {Arora, Kapildev K. and Talwelkar, Mayura S. and Pedireddi, V. R.} } @article { ISI:000267784200012, title = {Susceptibility of aedes aegypti and culex quinquefasciatus larvae to gedunin-related limonoids}, journal = {Chemistry \& Biodiversity}, volume = {6}, number = {6}, year = {2009}, month = {JUN}, pages = {897-902}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
The major non-azadirachtin limonoids such as gedunin (1), epoxyazadiradione (3), nimbocinol (4), and nimolicinol (5) from Azadirachta indica A. Juss ({\textquoteright}neem{\textquoteright}) and their derivatives were evaluated for their toxic action against fourth instar larvae of Aedes aegypti L. and Culex quinquefasciatus SAY. Gedunin exhibited 100\% toxic action against both the mosquito larvae at 50 and 10 ppm. Epoxyazadiradione and epoxynimolicinol also showed significant toxicities (\>= 50\%) against larvae of both mosquito species at 50 ppm. These neem limonoids can have benefits in mosquito-control programs.
}, issn = {1612-1872}, author = {Gurulingappa, Hallur and Tare, Vrushali and Pawar, Pushpa and Tungikar, Vijay and Jorapur, Yogesh R. and Madhavi, Sriram and Bhat, Sujata V.} } @article { ISI:000271136800002, title = {Sustainable green catalysis by supported metal nanoparticles}, journal = {Chemical Record}, volume = {9}, number = {4}, year = {2009}, month = {AUG}, pages = {224-235}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The recent progress of sustainable green catalysis by supported metal nanoparticles is described. The template synthesis of metal nanoparticles in ordered porous materials is studied for the rational design of heterogeneous catalysts capable of high activity and selectivity. The application of these materials in green catalytic processes results in a unique activity and selectivity arising from the concerted effect of metal nanoparticles and supports. The high catalytic performances of Pt nanoparticles in mesoporous silica is reported Supported metal catalysts have also been applied to biomass conversion by heterogeneous catalysis Additionally, the degradation of cellulose by supported metal catalysts, in which bifunctional catalysis of acid and metal plays the key role for the hydrolysis and reduction of cellulose, is also reported. (C) 2009 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 9: 224-235: 2009: Published online in Wiley InterScience (www.intersciencewiley.corn) DOI 10.1002/tcr.200900004
}, keywords = {Biomass, cellulose, CO oxidation, Mesoporous silica, supported metal catalyst}, issn = {1527-8999}, doi = {10.1002/tcr.200900004}, author = {Fukuoka, Atsushi and Dhepe, Paresh Laxmikant} } @article {42459, title = {Switching the electron-donor properties of n-heterocyclic carbenes by a facile deprotonation strategy}, journal = {Chemistry an Asian Journal}, volume = {9}, year = {2009}, month = {DEC}, pages = {1786{\textendash}1789}, abstract = {
Flip the switch! The facile and distinct variation of the electronic properties of an N-heterocyclic carbene (NHC) ligand is reported. In this process, a simple deprotonation/protonation strategy can render the NHC to be an electron-poor or an electron-rich NHC ligand: one ligand, two electronic natures.
}, keywords = {carbenes; electronic properties; enolates; heterocycles; ligand design}, doi = {10.1002/asia.200900410}, author = {Biju, Akkattu T. and Hirano, Keiichi and Frohlich, Roland and Glorius, Frank} } @article { ISI:000264490200023, title = {Syntheis of new chiral 5,6,7,8-tetrahydrotetrazolo[1,5-a]pyrazines from alpha-amino acid derivatives following {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry}, journal = {Heterocycles}, volume = {77}, number = {2}, year = {2009}, month = {FEB}, pages = {865-872}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient and practical synthesis of new chiral fused tetrazoles have been synthesized following [3+2] cycloaddition reaction starting from alpha-amino acid derivatives.
}, keywords = {Amino acid, Click chemistry, Hypertension, Nitrogen Rich System, Tetrazole}, issn = {0385-5414}, doi = {10.3987/COM-08-S(F)121}, author = {Mohapatra, Debendra K. and Maity, Pradip K. and Ghorpade, Ravindra V. and Gurjar, Mukund K.} } @article { ISI:000262707000040, title = {Synthesis and antifungal activity of 1,2,3-triazole containing fluconazole analogues}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {19}, number = {3}, year = {2009}, month = {FEB}, pages = {759-763}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Fluconazole based novel mimics containing 1,2,3-triazole were designed and synthesized as antifungal agents. Their antifungal activities were evaluated in vitro by measuring the minimal inhibitory concentrations (MICs). Compounds 12, 15, and 16 were found to be more potent against Candida fungal pathogens than control drugs fluconazole and amphotericin B. The studies presented here provide structural modi. cation of fluconazole to give 1,2,3-trazole containing molecules. Furthermore, these molecules were evaluated in vivo against Candida albicans intravenous challenge in Swiss mice and antiproliferative activities were tested against human hepatocellular carcinoma Hep3B and human epithelial carcinoma A431. It was found that compound 12 resulted in 97.4\% reduction in fungal load in mice and did not show any profound proliferative effect at lower dose (0.001 mg/ml). (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {1, 2, 3-Triazole, Antifungal agent, bile acid, Conjugates, Fluconazole}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.12.026}, author = {Aher, Nilkanth G. and Pore, Vandana S. and Mishra, Nripendra N. and Kumar, Awanit and Shukla, Praveen K. and Sharma, Aanchal and Bhat, Manoj K.} } @article { ISI:000271542900165, title = {Synthesis and characterization of CoCrxFe2-xO4 nanoparticles}, journal = {Journal of Alloys and Compounds}, volume = {485}, number = {1-2}, year = {2009}, month = {OCT}, pages = {798-801}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Spinel-phase nanocrystalline CoCrxFe2-xO4 powders (0.0 \<= x \<= 2.0) were synthesized by citrate-gel precursor method. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM). transmission electron microscopy (TEM) and infra-red spectroscopy (FT-IR). The XRD and selected-area electron diffraction (SAED) patterns indicated that the synthesized nanoparticles have single-phase spinet structure without the presence of any other impurities. The changes in electrical and magnetic properties of different stiochiometric compositions have also been investigated. It is seen that with increase in chromium contents, the measured magnetic hysteresis loops become narrow with decreasing trend in saturation magnetization. Electrical resistivity indicated that all the compounds are semiconducting nature. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Magnetic measurements, Sintering, transmission electron microscopy, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.06.087}, author = {Hankare, P. P. and Sankpal, U. B. and Patil, R. P. and Mulla, Imtiaz S. and Lokhande, P. D. and Gajbhiye, N. S.} } @article { ISI:000263932600008, title = {Synthesis and characterization of high-surface-area Ag2O-doped SnO2 nanomaterial}, journal = {Philosophical Magazine Letters}, volume = {89}, number = {3}, year = {2009}, month = {MAR}, pages = {PII 909257359}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Nanosized tin dioxide-based powders containing silver and palladium oxides have been prepared by coprecipitation reaction. XRD, TEM, and XPS analysis were carried out for investigation of crystalline structure and surface morphology. The best reactive conditions were determined, such as the concentration of the reactants, pH value, surfactants, reaction temperature, and time. The material obtained is nanocrystalline, having a particle size in the range of 5.21-7.42 nm. Effect of doped-Ag2O on the crystal size of the nanoparticles and the influence of the presence of a second dopant (Pd) on the Ag2O/SnO2 matrix was discussed.
}, keywords = {Ag2O:SnO2, Nanomaterials, XPS}, issn = {0950-0839}, doi = {10.1080/09500830902758651}, author = {Gambhire, A. B. and Lande, Machhindra K. and Kalokhe, S. B. and Shirsat, M. D. and Patil, K. R. and Gholap, Ramkrishna S. and Arbad, B. R.} } @article { ISI:000263629200030, title = {Synthesis and characterization of new polyimides containing pendent pentadecyl chains}, journal = {European Polymer Journal}, volume = {45}, number = {2}, year = {2009}, month = {FEB}, pages = {582-589}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A new unsymmetrical aromatic diamine, viz., 4-pentadecylbenzene-1,3-diamine was synthesized through a series of reaction steps starting from 3-pentadecylphenol. 4-Pentadecylbenzene-1,3-diamine was employed to synthesize a series of new polyimides by one-step polycondensation in m-cresol with four commercially available aromatic dianhydrides. viz., 3,3{\textquoteright},4,4{\textquoteright}-biphenyltetracarboxylic dianhydride (BPDA), 3,3{\textquoteright},4,4{\textquoteright}-benzophenone-tetracarboxylic dianhydride (BTDA), 4,4{\textquoteright}-oxydiphthalic anhydride (ODPA) and 4,4{\textquoteright}-(hexafluoroisopropylidene)diphthalic anhydride (6-FDA). Inherent viscosities of resulting polyimides were in the range 0.33-0.67 dL/g and number average molecular weights were in the range 14,700-52,200 (GPC, polystyrene standard). Polyimides containing pendent pentadecyl chains were soluble in organic solvents such as chloroform, m-cresol, N,N-dimethylacetamide (DMAc), 1-methyl-2-pyrrolidinone (NMP), pyridine and nitrobenzene. Strong and flexible films of polyimides could be cast from their chloroform solutions. Polyimides exhibited glass transition temperature in the range 158-206 degrees C. The temperature at 10\% wt. loss (T(10)). determined by TGA in nitrogen atmosphere, of polyimides was in the range 470-480 degrees C indicating good thermal stability. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Cashew nut shell liquid, Glass transition temperature, Pendant pentadecyl chain, polyimides}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2008.11.013}, author = {Sadavarte, Nilakshi V. and Halhalli, Mahadeo R. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article { ISI:000267994500002, title = {Synthesis and characterization of novel schiff base polyurethanes}, journal = {Journal of Applied Polymer Science}, volume = {113}, number = {5}, year = {2009}, month = {SEP}, pages = {2747-2754}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Eight different types of novel polyurethanes (PUs) were synthesized through the polyaddition reaction of 4,4{\textquoteright}-(ethane-1,2-diylidenedinitrilo)diphenol and 4,4{\textquoteright}(pentane-1,5-diylidenedinitrilo)diphenol with four different diisocyanates: 4,4{\textquoteright}-diphenylmethane diisocyanate, toluene 2,4-diisocyanate, isophorone diisocyanate, and hexamethylene diisocyanate. The resulting PUs were soluble in polar, aprotic solvents. Structures of the diols and PUs were established with Ultraviolet-visible, fluorescence, Fourier transform infrared (FTIR), (1)H-NMR, and (13)C-NMR spectroscopy data. FTIR and NMR spectral data indicated the disappearance of both hydroxyl and isocyanate groups in the PUs. The thermal properties were investigated with thermogravimetry and differential scanning calorimetry. The weight losses, glass transitions, onset temperatures, and crystalline melting temperatures were measured. All the PUs exhibited semicrystalline and amorphous morphologies, as indicated by X-ray diffraction. (C) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 113: 2747-2754, 2009
}, keywords = {amorphous, Morphology, polyurethanes, synthesis, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.28257}, author = {Raghu, A. V. and Gadaginamath, G. S. and Jeong, Han Mo and Mathew, Nevin T. and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article { ISI:000269257800009, title = {Synthesis and conformational study of chiral oxepines: the baylis-hillman reaction and RCM approach with sugar aldehyde}, journal = {Journal of Organic Chemistry}, volume = {74}, number = {17}, year = {2009}, month = {SEP}, pages = {6486-6494}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The Baylis-Hillman reaction of 3-O-allyl-alpha-D-xylo-pentodialdo-1,4-furanose 3 afforded a diastereomeric mixture of D-gluco- and L-ido-configured alpha-methylene-beta-hydroxy esters 4a and 4b, respectively, in a ratio of 2:3. Reduction of the ester functionality in 4a/4b gave alcohols 5a/5b. The diene thus formed in 5a/5b was subjected to ring-closing metathesis (Grubbs{\textquoteright} second-generation catalyst) to afford oxa-bicyclic ring system 6a/6b in high yield. Further manipulation of the aectonide functionality in 6a and 6b afforded new polyhydroxylated oxepines 1a/2a and 1b/2b, respectively. The (1)H NMR of oxepines 1a and 1b in D(2)O showed doubling of signals indicating their existence in two different rotamers/conformers. This fact was substantiated by calculating energetics of 1 and 2 conformers using the density functional theory and correlating the calculated (1)H NMR chemical shift pattern with that of the experimental spectra.
}, issn = {0022-3263}, doi = {10.1021/jo900660q}, author = {Jadhav, Vrushali H. and Bande, Omprakash P. and Pinjari, Rahul V. and Gejji, Shridhar P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000270106700015, title = {Synthesis and in vitro study of 14-aryl-14H-dibenzo[a.j]xanthenes as cytotoxic agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {19}, number = {19}, year = {2009}, month = {OCT}, pages = {5590-5593}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple and expedient method for the synthesis of a series of 14-aryl-14H-dibenzo[a.j]xanthenes is described through a one-pot condensation of beta-naphthol with aryl aldehydes catalysed by TaCl(5) under solvent-free conventional heating. The major advantages of the present method are: high yields, less reaction time, solvent-free condition and easy purification of the products. The synthesized 14-aryl-14H-dibenzo[a.j]xanthenes were evaluated against a panel of six human cancer lines of different tissues. Synthesized compound 30 showed IC(50) of 37.9 and 41.3 mu M against Colo-205 and 502713, respectively, whereas 3g showed IC(50) of 41.9 mu M against Colo-205. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Aldehyde, beta-Naphthol, condensation, Cytotoxicity, One-pot reaction, Solvent-free, Tantalum(V) chloride, Xanthenes}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2009.08.033}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C. and Mujahid, Mohammad and Sehar, Irum and Saxena, Ajit K.} } @article { ISI:000272522300034, title = {Synthesis and properties of new polybenzoxazines containing (substituted) cyclohexyl moieties}, journal = {Polymers for Advanced Technologies}, volume = {20}, number = {12}, year = {2009}, month = {DEC}, pages = {1107-1113}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
A series of new polybenzoxazines were synthesized based on diphenols containing (substituted) cyclohexyl moiety and were characterized by FT-IR, (1)H-NMR, and (13)C-NMR spectroscopy. These new benzoxazine monomers exhibited better processability with lower peak cure temperature and a wide cure controllable window (CCW) as manifested in differential scanning calorimetric analysis. The cure analysis was performed by FT-IR spectroscopy. Glass transition temperature of new polybenzoxazines varied from 170 to 205 degrees C. The cyclohexyl bridge groups facilitated ring opening, resulting in polymer with improved thermal stability in comparison to bisphenol A-based benzoxazine as assessed by the various thermal analyses. The water contact angles of polybenzoxazines containing (substituted) cyclohexyl moieties were higher than that of bisphenol A-based polybenzoxazine, implying their higher hydrophobicity. Copyright (C) 2009 John Wiley \& Sons, Ltd.
}, keywords = {Hydrophobicity, polybenzoxazines, thermally stable polymers}, issn = {1042-7147}, doi = {10.1002/pat.1370}, author = {Kumar, K. S. Santhosh and Nair, C. P. Reghunadhan and Ninan, K. N. and Kulkarni, A. D. and Wadgaonkar, P. P.} } @article { ISI:000263163200021, title = {Synthesis and self-organization properties of copolyurethanes based on perylenediimide and naphthalenediimide units}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {47}, number = {4}, year = {2009}, month = {FEB}, pages = {1224-1235}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
A series of perylene and naphthalene diimide-containing random copolyurethanes with different ratios of perylene/naphthalene diimide content was synthesized and characterized. Copolymerization improved the solubility of these rigid aromatic diimides, and the copolymers were soluble in common organic solvents like chloroform, tetrahydrofuran, and so forth. The absorption spectra of perylene-based copolymers showed a red-shifted peak at a wavelength of 557 nm corresponding to J-type aggregates. For naphthalene copolymers, the quenching of fluorescence at higher naphthalene incorporation suggested the presence of aggregates because of the extensive pi-pi stacking of the aromatic core. FTIR spectroscopic analysis showed that the hydrogen bonding tendency of the polymer decreased with increase in perylene/naphthalene incorporation. The fluorescence spectra of the perylene polymers were exactly a mirror image of the absorption spectra. The fluorescence spectra of the naphthalene polymers at higher naphthalene incorporation showed a red-shifted excimer like emission peak, which was assigned as static excimers based on their excitation spectra. These polymers could exhibit two types of secondary interaction modes, namely, hydrogen bonding (via urethane linkage) and pi-stacking (via aromatic perylene or naphthalene units) thus highlighting the importance of polymer design in inducing self-organization at both low and high incorporation of the rigid bisimide moieties. (C) 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polyrn Chem 47: 1224-1235, 2009
}, keywords = {fluorescence, hydrogen bonding, naphthalene diimide polymers, polyurethane copolymer, self-organization, structure-property relations}, issn = {0887-624X}, doi = {10.1002/pola.23233}, author = {Jancy, B. and Asha, S. K.} } @article { ISI:000271108500027, title = {Synthesis and thermal properties of soluble silicon containing phenylated aromatic-aliphatic polyamides}, journal = {Journal of Thermal Analysis and Calorimetry}, volume = {98}, number = {2}, year = {2009}, month = {NOV}, pages = {539-545}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Aromatic polyamides find many applications in diverse and critical areas due to their high thermal stability coupled with high mechanical properties. However most of such aramides are difficult to fabricate because of their limited solubility and high melting temperature. Improvements in processability have been reported by incorporating bulky pendant groups and aliphatic spacer groups. Similarly to improve the solubility of polymers approaches of incorporating silicon in main polymer chain and co-polymerization techniques were useful. We report the synthesis and characterization of a series of phenylated silicon containing aromatic-aliphatic polyamides from a mixture of 2, 5-bis (4-carboxy methylene phenyl)-3, 4-diphenyl thiophene (CMPDT) and bis-(4-carboxy phenyl) dimethyl silane (BCPDS) in various mole proportions, with commercial aromatic diamine. Thus a series of novel co-polyamides having pendant phenyl groups, methylene spacer and silicon moiety was prepared by judicious combination of (CMPDT); BCPDS and aromatic diamine; bis-(4-aminophenyl) ether (ODA), by direct polycondensation using Yamazaki{\textquoteright}s phosphorylation method. These high molecular mass polyamides were obtained in high (89-98\%) yields and had viscosities in the range of 0.23-0.57 dL/g in DMAc. Polyamides showed improved solubility in polar aprotic solvents, like NMP, DMAc, DMSO and DMF; had high thermal stability; with no mass loss below 335 A degrees C.
}, keywords = {2, 4-diphenyl thiophene, 5-bis (4-carboxy methylene phenyl)-3, bis-(4-amino phenyl) ether, bis-(4-carboxy phenyl) dimethyl silane, Copolyamides, solubility, thermal stability}, issn = {1388-6150}, doi = {10.1007/s10973-009-0286-y}, author = {Ghanwat, A. A. and Sayyed, M. M. and Wadgaonkar, P. P. and Maldar, Noormahamad N.} } @article { ISI:000265237700014, title = {Synthesis, characterization and catalytic performance of Sn-MCM-48 in solvent-free Mukaiyama-type aldol condensation reactions}, journal = {Applied Catalysis A-General}, volume = {358}, number = {1}, year = {2009}, month = {APR}, pages = {88-94}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The influence of various synthesis variables on the physico-chemical properties of mesoporous stannosilicate molecular sieves with MCM-48 structure (Sn-MCM-48) has been investigated. Sn-MCM48 has been used as a new heterogeneous catalyst in solvent-free Mukaiyama-type aldol reactions. Invariably, the beta-hydroxy ester selectivity was found to be 100\% irrespective of the conversion level. The product yield was found to increase, to reach a maximum (70\%), and then to decrease with the increase in tin content. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Characterization, heterogeneous catalysis, Hydrothermal synthesis, Mesoporous molecular sieves, Mukaiyama-aldol condensation, Sn-MCM-48}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.02.001}, author = {Taralkar, U. S. and Kalita, Pranjal and Kumar, Rajiv and Joshi, P. N.} } @article { ISI:000264232900041, title = {Synthesis, characterization and constitutional isomerism study of new aromatic polyamides containing pendant groups based on asymmetrically substituted meta-phenylene diamines}, journal = {European Polymer Journal}, volume = {45}, number = {3}, year = {2009}, month = {MAR}, pages = {953-959}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Four new aromatic polyamides containing pendant groups were synthesized by low temperature interfacial polycondensation of two asymmetrically substituted diamine monomers, namely, 4-[4-(1-methyl-1-phenylethyl) phenoxyl-1,3-diamino benzene and 4-[4-[4-methylphenyl) sulphonyl]phenoxy)-1,3-diamino benzene with two aromatic diacid chlorides, namely isophthaloyl chloride and tereplithaloyl chloride. Inherent viscosities of polyamides were in the range 0.64-0.72 dL/g indicating formation of medium molecular weight polymers. The weight average molecular weights and number average molecular weights, determined by gel permeation chromatography (polystyrene standard), were in the range 54,500-65,000 and 19,750-27,000, respectively. The constitutional isomerism of synthesized polyamides was investigated by (1)H and (13)C NMR spectroscopy, where as the constitutional order was calculated from (1)H NMR spectroscopy and was found to be in the range 0.35-0.37. Polyamides containing pendant groups were essentially amorphous and were soluble in polar aprotic solvents such as N, N-dimethyl acetamide, N-methyl-2-pyrrolidone, N, N-dimethyl formamide and dimethyl sulfoxide. Polyamides exhibited glass-transition temperature in the range 237-254 degrees C. The initial decomposition temperature, determined by TGA in nitrogen atmosphere, of polyamides was in the range 371-410 degrees C indicating their good thermal stability. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Asymmetrically substituted diamines, Constitutional isomerism, interfacial polycondensation, Pendant groups}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2008.11.034}, author = {Pal, Ravindra R. and Patil, Prashant S. and Salunkhe, Manikrao M. and Maldar, Noormahamad N. and Wadgaonkar, Prakash P.} } @article { ISI:000265911700183, title = {Synthesis, characterization and effect of sintering temperature on magnetic properties of MgNi ferrite prepared by co-precipitation method}, journal = {Journal of Alloys and Compounds}, volume = {475}, number = {1-2}, year = {2009}, month = {MAY}, pages = {926-929}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Mixed MgNi ferrites with composition Mg(0.5)Ni(0.5)Fe(2)O(4) where the mole fraction for Ni (x = 0, 0.25, 0.75, 0.5 and 1) were prepared by following co-precipitation method at temperature 110 degrees C and maintaining a pH of solution equal to 9.5 enable to achieve large particle surface area. The resultant materials obtained in powder form were sintered at different temperatures. Thermogravimetry (TGA), X-ray diffraction (XRD) and scanning electron microscopy, technique were applied to obtain structural parameters. The XRD patterns reveal the presence of(311) peak as the most intense one. The intensity of XRD peak increases with increase in sintering temperature. The saturation magnetization values showed increasing trend with increase in sintering temperature from 2.37 to 29.76 emu/g. These results along with the analysis of SEM micrographs are interpreted in terms of increase in particle grain size with increase in sintering temperature. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Chemical synthesis, Ferrites, FT-IR, scanning electron microscopy, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2008.08.082}, author = {Hankare, P. P. and Jadhav, S. D. and Sankpal, U. B. and Chavan, Santosh S. and Waghmare, K. J. and Chougule, B. K.} } @article { ISI:000264463600013, title = {Synthesis of Ag-Pt alloy nanoparticles in aqueous bovine serum albumin foam and their cytocompatibility against human gingival fibroblasts}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {69}, number = {2}, year = {2009}, month = {MAR}, pages = {239-245}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Foams of bovine serum albumin (BSA) have been utilized for synthesizing in situ protein capped Ag-Pt alloy nanoparticles. The in vitro cytotoxicity and the rate of proliferation of human gingival fibroblasts (HGFs) in presence of the above synthesized alloy nanoparticles is investigated. Expression profile of protein involved in detoxification, i.e. metallotheonein (MT) were assayed by ELISA and expression of mRNA transcripts by reverse transcription polymerase chain reaction (RT-PCR). Cytotoxicity results suggested that protein capped nano-alloys might be promising candidates for implants and prosthetic material. RT-PCR and ELISA confirmed the expression of MT. in cells treated with the alloy nanoparticles. Morphology variation studied by SEM also confirms that cells treated with alloy nanoparticles present an intact morphology. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Alloy nanoparticles, Biocompatibility, ELISA, Human gingival fibroblasts, mRNA, Protein foams}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2008.11.021}, author = {Singh, A. V. and Patil, R. and Kasture, M. B. and Gade, Wasudeo N. and Bhagavatula L. V. Prasad} } @article { ISI:000267381100014, title = {Synthesis of catalytically active porous platinum nanoparticles by transmetallation reaction and proposition of the mechanism}, journal = {Small}, volume = {5}, number = {12}, year = {2009}, month = {JUN}, pages = {1467-1473}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
A facile method for the synthesis of porous platinum nanoparticles by transmetallation reactions between sacrificial nickel nanoparticles and chloroplatinic acid (H(2)PtCl(6)) in solution, as well as at the constrained environment of the air water interface, using a Langmuir-Blodgett instrumental setup is presented. To carry out the transmetallation at the air-water interface hydrophobized nickel nanoparticles are assembled as a monolayer on the sub phase containing platinum ions. The porous Pt nanoparticles obtained as a result of the reaction are found to act as extremely good catalysts for hydrogenation reaction. The products are well characterized by TEM, HRTEM, EDAX, and STEM. Attempts are made to postulate the plausible mechanism of this reaction to generate this kind of nanoparticle with controllable geometric shape and structure. This simple strategy has the potential to synthesize other nanomaterials of interest too.
}, keywords = {Catalysts, Interfaces, Nickel nanoparticles, porous platinum, Transmetallation}, issn = {1613-6810}, doi = {10.1002/smll.200801863}, author = {Pasricha, Renu and Bala, Tanushree and Biradar, Ankush V. and Shubhangi B. Umbarkar and Sastry, Murali} } @article { ISI:000264123000013, title = {Synthesis of chiral sulfoxides by enantioselective sulfide oxidation and subsequent oxidative kinetic resolution using immobilized Ti-binol complex}, journal = {Journal of Catalysis}, volume = {262}, number = {1}, year = {2009}, month = {FEB}, pages = {111-118}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Chiral Ti-binol complex was immobilized onto ionic liquid modified SBA-15 and characterized by different physicochemical techniques. The catalyst was found to be highly enantioselective in the heterogeneous asymmetric oxidation of prochiral sulfides to sulfoxides and subsequent oxidative kinetic resolution of the sulfoxides using aqueous tert-butylhydroperoxide as the oxidant. A positive non-linear effect was observed in the oxidation-kinetic resolution of thioanisole using this supported catalyst. The supported catalyst was reused in multiple catalytic runs without any loss of enantioselectivity. (C) 2008 Elsevier Inc. All rights reserved.
}, keywords = {Kinetic resolution, Mesoporous silica, Non-linear effect, Sulfides, Sulfoxides, Supported ionic liquid, Ti-binol}, issn = {0021-9517}, doi = {10.1016/j.jcat.2008.12.007}, author = {Sahoo, Suman and Kumar, Pradeep and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000270973600047, title = {Synthesis of framework Ti-substituted, 3-D hexagonal, mesoporous Ti-SBA-12 for selective catalytic oxidation}, journal = {Chemical Communications}, number = {42}, year = {2009}, month = {SEP}, pages = {6484-6486}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Framework Ti-substituted, 3-D hexagonal mesoporous, Ti-SBA-12, obtained for the first time by direct hydrothermal synthesis, oxidises bulky molecules such as cyclohexene and cyclooctene to the epoxides with \>96\% selectivity at high conversion levels (\>60\%).
}, issn = {1359-7345}, doi = {10.1039/b915324a}, author = {Kumar, Anuj and Srinivas, Darbha and Ratnasamy, Paul} } @article {39}, title = {Synthesis of hydroxy-functional PMMA macromonomers by anionic polymerization}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {46}, number = {10}, year = {2009}, month = {SEP}, pages = {PII 914494634}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Living anionic polymerization has been utilized to synthesize hydroxy end-functionalized PMMA macromonomers with styryl or allyl functionalities as the polymerizable end-groups. Protected hydroxy-functionalized alkyl lithium initiators have been used to initiate anionic polymerization of MMA. Subsequently the living chains with protected hydroxyl function have been terminated using 4-vinylbenzyl chloride (4-VBC) or allyl methacrylate (ALMA) to form -hydroxy{\textendash}styryl and -hydroxy{\textendash}allyl PMMA, respectively. These protected hydroxy-functionalized PMMA macromonomers have been characterized by GPC and 1H-NMR. Termination using 4-VBC led to 50\% functionalization, whereas that using allyl methacrylate led to 100\% functionalization of the hydroxy-PMMA.
}, keywords = {Anionic polymerization, functionalized initiator, Macromonomer}, issn = {1060-1325}, doi = {10.1080/10601320903158610}, author = {Dhara, Mahua Ganguly and Sivaram, Swaminathan and Bhonde, Ramesh R. and Bhagavatula L. V. Prasad} } @article { ISI:000267110100003, title = {Synthesis of hydroxy-functionalized star-branched PMMA by anionic polymerization}, journal = {Polymer Bulletin}, volume = {63}, number = {2}, year = {2009}, month = {AUG}, pages = {185-196}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Living anionic polymerization has been exploited to synthesize hydroxy end-functionalized PMMA star-branched polymers. Protected hydroxy-functionalized alkyl lithium initiators have been used to initiate anionic polymerization of MMA. Subsequently the living chains with protected hydroxyl function have been used to cross-link ethylene glycol dimethacrylate (EGDMA) in order to form star-branched polymers with cross-linked EGDMA core via {\textquoteleft}arm-first{\textquoteright} method. The linear arms and the star molecules have been characterized by (1)HNMR, GPC, and light scattering. Variation in the number of arms with arm molecular weight and cross-linker loading has been studied. Star-branched PMMA-OH with as many as similar to 10 arms could be successfully made. Increased molecular weight of PMMA-OH led to decrease in the number of arms incorporated due to increased steric hindrance on the core. Increase in EGDMA concentration slightly increased the arm incorporation.
}, keywords = {Anionic polymerization, Star polymers, Star-branched PMMA}, issn = {0170-0839}, doi = {10.1007/s00289-009-0082-7}, author = {Dhara, Mahua Ganguly and Sivaram, Swaminathan and Baskaran, Durairaj} } @article { ISI:000263216300005, title = {Synthesis of nickel-rubber nanocomposites and evaluation of their dielectric properties}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {156}, number = {1-3}, year = {2009}, month = {JAN}, pages = {24-31}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nanocomposites based on natural rubber and nano-sized nickel were synthesized by incorporating nickel nanoparticles in a natural rubber matrix for various loadings of the filler. Structural, morphological, magnetic and mechanical properties of the composites were evaluated along with a detailed study of dielectric properties. It was found that nickel particles were uniformly distributed in the matrix without agglomeration resulting ill a magnetic nanocomposite. The elastic properties showed an improvement with increase in filler content but breaking stress and breaking strain were found to decrease. Dielectric permittivity was found to decrease with increase in frequency, and found to increase with increase in nickel loading. The decrease in permittivity with temperature is attributed to the high volume expansivity of rubber at elevated temperatures. Dielectric loss of blank rubber as well as the composites was found to increase with temperature. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Dielectric relaxation, Interfacial polarization, Nanocomposites}, issn = {0921-5107}, doi = {10.1016/j.mseb.2008.10.041}, author = {Jamal, E. Muhammad Abdul and Joy, Pattayil Alias and Kurian, Philip and Anantharaman, Maliemadom R.} } @article { ISI:000271443200024, title = {Synthesis of N-methylaniline by aniline alkylation with methanol over Sn-MFI molecular sieve}, journal = {Catalysis Letters}, volume = {133}, number = {1-2}, year = {2009}, month = {NOV}, pages = {175-184}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Sn-MFI molecular sieves (Tin silicalite-1) with SiO(2)/SnO(2) molar ratio of 50-150 were synthesized and characterized. Elemental analysis, XRD and DRUV-vis confirmed that prepared samples were of MFI zeolite structure and Sn was incorporated in MFI framework. Vapor phase methylation of aniline over Sn-MFI was systematically studied and optimizations of process parameters were carried out. Sn-MFI (SiO(2)/SnO(2) = 50) was found to be optimum catalyst with 55\% aniline conversion and 60\% N-methylaniline selectivity. At lower space velocity (higher contact time) of 1 h(-1), aniline conversion was found to be increased to 71\% with reduction in N-methylaniline selectivity to 39\% and increased in N,N-dimethylaniline selectivity to 58\%. The reaction follows first order kinetics with respect to aniline having activation energy of 7.3 kcal/mol.
}, keywords = {Aniline, Lewis acid, Methanol, N-methylaniline, Sn-MFI}, issn = {1011-372X}, doi = {10.1007/s10562-009-0143-4}, author = {Niphadkar, P. S. and Joshi, P. N. and Gurav, H. R. and Deshpande, Suvarna S. and Bokade, Vijay V.} } @article { ISI:000268481500018, title = {Synthesis of polyfunctional quinolizidine alkaloids: development towards selective glycosidase inhibitors}, journal = {Organic \& Biomolecular Chemistry}, volume = {7}, number = {16}, year = {2009}, month = {JUN}, pages = {3300-3307}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A highly divergent route to a variety of quinolizidine alkaloids is described. The enantiomeric precursors 22a and 22b utilized for the synthesis of these alkaloids were constructed stereospecifically from the PET cyclization of the corresponding acetylene tethered alpha-trimethylsilyl amine moieties 21a and 21b, respectively, both of which were synthesised from D-ribose. The polyhydroxy quinolizidine alkaloid 7 was found to be a selective inhibitor of alpha-galactosidase with Ki 83.9 mu M. The amine analogs 18, 12 and 10 are found to be selective and potent inhibitors of alpha-glucosidase with Ki 28, 120 and 140 mu M, respectively.
}, issn = {1477-0520}, doi = {10.1039/b907007a}, author = {Pandey, Ganesh and Grahacharya, Debasish and Shashidhara, K. S. and Khan, Mohammad Islam and Puranik, Vedavati G.} } @article { ISI:000286307300007, title = {Synthesis of Sb-doped SnO2 nanowires and hyperbranched structures}, journal = {Science of Advanced Materials}, volume = {1}, number = {1}, year = {2009}, month = {APR}, pages = {38-43}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Branched nanostructures of semiconducting materials are of great interest for their potential applications in optoelectronic, photonic devices and sensors. We herein describe a facile single-step chemical vapor deposition route for the synthesis of Sb-SnO2 hyperbranched nanostructures comprised of elongated nanowires with 30-40 nm diameter and 10-20 Am length. The morphology and structure has been characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), selective area electron diffraction (SAED), and powder X-ray diffraction (XRD). Also, a possible mechanism is proposed for the growth of nanowires into the hyperbranched form on the basis of the substrate effect, the role of Au nanoparticles, and the effect of Sb doping on specific morphology evolution. Interestingly, electrical conductivity measurements as a function of temperature suggest a semiconducting behavior, despite being governed by different electron-transport mechanisms with activation energies of 0.55 and 0.17 eV, which correspond to pure SnO2 and Sb-SnO2 nanowires, respectively. A precise control over the operating parameters not only envisages custom-designed, branched structures by a simple and economical route but also offers an alternative method to the expensive and tedious nanofabrication techniques for industrial applications.
}, keywords = {Au Nanoparticles, chemical vapor deposition, Sb-SnO2 Hyperbranched Nanostructures}, issn = {1947-2935}, doi = {10.1166/sam.2009.1006}, author = {Sathe, Bhaskar R. and Patil, Mrudula and Walke, Pravin S. and Vivek, J. P. and Lele, Ashish K. and Pillai, Vijayamohanan K. and Mulla, Imtiaz S.} } @article { ISI:000267367300016, title = {Synthesis of Si-MCM-41 from ternary SiO2-CTAOH-H2O system via dry gel conversion route}, journal = {Journal of Sol-Gel Science and Technology}, volume = {51}, number = {2}, year = {2009}, month = {AUG}, pages = {244-250}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Steam assisted dry gel conversion method was employed for the synthesis of Si-MCM-41 from ternary SiO2:CTAOH:H2O systems wherein fumed silica was used as a source of silica. The influence of synthesis time, molar ratios of CTAOH/SiO2 in dry gel and the water content at the bottom of autoclave on the quality and formation of mesophases has been investigated. Powder XRD, N-2 adsorption-desorption, TEM and hydrothermal stability test were the techniques used for sample characterization. Keeping molar ratio of CTAOH/SiO2 constant, shorter synthesis time, lower unit cell parameter and d spacing were observed when steam assisted dry gel conversion method was employed in place of conventional hydrothermal method. There exists an optimum lower limit for water content at the bottom of autoclave for reducing the synthesis period. Keeping synthesis temperature and CTAOH/SiO2 molar ratio fixed, Si-MCM-41 with improved hydrothermal stability was obtained by steam assisted dry gel conversion route.
}, keywords = {Dry gel conversion, powder diffraction, Si-MCM-41, Sol-gel growth, Structural stability, Textural properties}, issn = {0928-0707}, doi = {10.1007/s10971-009-1969-3}, author = {Taralkar, U. S. and Niphadkar, P. S. and Joshi, P. N.} } @article { ISI:000266382800011, title = {Synthesis of the reported protoberberine gusanlung D}, journal = {Synthesis-Stuttgart}, number = {10}, year = {2009}, month = {MAY}, pages = {1667-1672}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Starting from homopiperonylamine or phenethylamine with homophthalic anhydride or 3,4-methylenedioxyhomophthalic acid, respectively, facile syntheses of the reported structures of (+/-)-gusanlung D and (+/-)-isogusanlung d were accomplished via regioselective reductive dehydration of the corresponding homophthalimides followed by an intramolecular acid-catalyzed or radical cyclization pathway. Starting from the corresponding suitably ortho-halogenated homophthalimides, the syntheses of dehydrogusanlung and dehydroisogusanhing D were completed via regioselective reductive dehydration followed by an intramolecular Heck coupling reaction as the key steps. The analytical and spectral data obtained for all four synthetic compounds differed from the reported data for natural gusanling D, and therefore the structural assignment of the natural product needs to be revised.
}, keywords = {gusanlung D, Heck reaction, homophthalic anhydride, homopiperonyl amine, reductive dehydration}, issn = {0039-7881}, doi = {10.1055/s-0028-1088050}, author = {Wakchaure, Prasad B. and Easwar, Srinivasan and N. P. Argade} } @article { ISI:000263073800048, title = {Template free synthesis of mesoporous TiO2 with high wall thickness and nanocrystalline framework}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {1, SI}, year = {2009}, month = {JAN}, pages = {371-377}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
A simple procedure to prepare nanocrystalline mesoporous titania (meso-TiO2) is reported without any templating agent and it possesses a high BET surface area and a large pore wall thickness (11.3 nm) than that of meso-TiO2 prepared by other methods. Nanocrystalline meso-TiO2 also has been synthesized with hexadecylamine template for comparison through known procedure. The meso-TiO2 materials were characterized by X-ray diffraction, FT-IR, UV-Vis absorbance spectra, thermal analysis, SEM, HRTEM and textural properties through N-2 adsorption-desorption isotherms. Spherical shape particles in a range of few hundred nanometers are obtained in the template free method. Above systematic characterization provides direct indications toward the mechanism of formation of meso-TiO2 in the template free method. A comparison of the physical and textural properties indicates a possibility of coarse-tuning of the textural characteristics of mesoporous TiO2 by adopting different preparation methods.
}, keywords = {Mesopore, Mesopore Formation, Template-Free, Thick Wall, titania}, issn = {1533-4880}, doi = {10.1166/jnn.2009.J019}, author = {Kulkarni, Dhanashree G. and Murugan, A. Vadivel and Viswanath, Annamraju Kasi and Gopinath, Chinnakonda S.} } @article { ISI:000267070700082, title = {Tethered aminohydroxylation route to L-arabino-[2R,3S,4R] and L-xylo-[2R,3S,4S]-C-18-phytosphingosines}, journal = {Tetrahedron Letters}, volume = {50}, number = {26, SI}, year = {2009}, month = {JUL}, pages = {3425-3427}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A concise and highly efficient synthesis of L-arabino-[2R,3S,4R] and L-xylo-[ 2R,3S,4S]-C-18-phytosphingosines has been achieved. The synthetic strategy features the Sharpless kinetic resolution and tethered aminohydroxylation as the key steps. (C) 2009 Elsevier Ltd, All rights reserved.
}, keywords = {Phytosphingosine, Regioselectivity, Sharpless asymmetric kinetic resolution, Sphingolipids, stereoselectivity, Tethered aminohydroxylation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.02.173}, author = {Dubey, Abhishek and Kumar, Pradeep} } @article { ISI:000265996200003, title = {Thermally induced cationic polymerization of glycidyl phenyl ether using novel xanthenyl phosphonium salts}, journal = {Macromolecular Research}, volume = {17}, number = {4}, year = {2009}, month = {APR}, pages = {221-226}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The present study firstly describes the synthesis of novel, thermo-latent initiators based on xanthenyl phosphonium salts with different counter anions and phosphine moieties and secondly examines their efficiency in the bulk polymerization of glycidyl phenyl ether (GPE). The polymerization was performed with phosphonium salt initiators (I(SbF6), I(PF6), I(AsF6) and I(BF4)) at ambient temperature to 200 degrees C for 1 h. The order of initiator activity was I(SbF6) \> I(PF6) \> I(AsF6) \> I(BF4). To examine the effect of the phosphine moiety on the initiator activity, polymerization was carried out with I(SbF6) (Ph(3)P) and II(SbF6) (Bu(3)P) at ambient temperature to 170 degrees C for 1 h. The order of reactivity was I(SbF6) \> II(SbF6). In general, the conversion percentage increased with increasing polymerization temperature. The thermal stability of these salts was measured by then-no gravimetric analysis (TGA). The solubility of phosphonium salts in various organic solvents and epoxy monomers was also investigated.
}, keywords = {Cationic polymerization, glycidyl phenyl ether, phosphonium salts, thermo-latent}, issn = {1598-5032}, author = {Gupta, Mukesh Kumar and Singh, Raj Pal} } @article { ISI:000263249600064, title = {Tin-silicalite-1: synthesis by dry gel conversion, characterization and catalytic performance in phenol hydroxylation reaction}, journal = {Materials Chemistry and Physics}, volume = {114}, number = {1}, year = {2009}, month = {MAR}, pages = {344-349}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Tin-silicalite-1 (Sn-MFI) has been successfully synthesized by dry gel conversion (DGC) method. The influence of various synthesis parameters such as crystallization time, temperature, water content at the bottom of autoclave, molar ratios of (TPA)(2)O/SiO(2) and SiO(2)/SnO(2) in dry gel on the crystallization kinetics and physico-chemical properties of Sn-MFI materials has been investigated. Powder-X-ray diffraction (XRD),XPS,AAS, DRUV-vis and SEM techniques were employed as characterization tools. Time-dependent studies revealed that, the progressive crystallization of Sn-MFI depend not only on the synthesis time but also on the other various synthesis parameters. Increase in the crystallization temperature, water content at bottom of autoclave (TPA)(2)O/SiO(2) and SiO(2)/SnO(2) molar ratios in dry gel resulted in the lowering of overall crystallization period. A good correspondence between the chemical composition of the surface and the bulk indicated the uniform distribution of Sn(4+) ions. The presence of these ions in tetrahedral coordination has been indicated by DRUV-vis spectral studies. Although, not better but comparable activity has been shown by Sn-MFI prepared by dry gel conversion method with Sn-MFI prepared by conventional hydrothermal crystallization method in the hydroxylation of phenol reaction. Increase in concentration of isolated Sn(4+) ions led to increase in phenol conversion and H(2)O(2) efficiency. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {crystallisation, Dry gel conversion, microporous materials, Sn-MFI}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2008.09.026}, author = {Niphadkar, Prashant S. and Kotwal, Mehejabeen S. and Deshpande, Shilpa S. and Bokade, Vijay V. and Joshi, Praphulla N.} } @article { ISI:000265959200028, title = {Titanium superoxide: a heterogeneous catalyst for anti-Markovnikov aminobromination of olefins}, journal = {Tetrahedron Letters}, volume = {50}, number = {23}, year = {2009}, month = {JUN}, pages = {2815-2817}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A new facile procedure for the aminobromination of olefins in high yields has been described using p-toluene sulfonamide (p-TsNH(2)) and N-bromosuccinimide (NBS) as introgen and bromine sources, respectively, and titanium superoxide as a truly heterogeneous catalyst. The formation of anti-Markovnikov product exclusively in all the cases studied possibly proceeding I free radical reaction pathway is remarkable. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {anti-Markovnikov addition, Bromoamination, N-Bromosuccinimide, p-Toluenesulfonamide, Titanium superoxide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.03.169}, author = {Shaikh, Tanveer Mahamadali and Karabal, Pratibha U. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000269715600024, title = {Total syntheses and absolute stereochemistry of decarestrictines C-1 and C-2}, journal = {Tetrahedron Letters}, volume = {50}, number = {40}, year = {2009}, month = {OCT}, pages = {5636-5639}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The total syntheses of decarestrictines C-1 and C-2 have been described. The synthetic strategy involves a practical and flexible approach using esterification and ring-closing metathesis to unite the acid and alcohol fragments. The acid fragments are enantiomers of each other and have been prepared from L-(-)-malic acid via similar transformations; in Sharpless asymmetric epoxidation, (+)-DET has been used for decarestrictine C-1 and (-)-DET for decarestrictine C-2. The alcohol fragment is identical for both decarestrictines C-1 and C-2 and has been accessed from D-(+)-mannitol. Comparison of the H-1 and C-13 NMR data combined with the computational studies predicts the presence of two conformations without and with hydrogen bonding (conformational isomers I and II for decarestrictine C-1), respectively. The H-1 and C-13 NMR data for decarestrictine C-2 completely agreed with the analytical data reported by Kibayashi et al. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Decarestrictines, Pinnick oxidation, Ring-closing metathesis, Sharpless asymmetric epoxidation, Yamaguchi coupling reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.07.099}, author = {Mohapatra, Debendra K. and Sahoo, Gokarneswar and Ramesh, Dhondi K. and Rao, J. Srinivasa and Sastry, G. Narahari} } @article { ISI:000263375600003, title = {Total synthesis of (+/-)-1,3,4,5-tetragalloylapiitol}, journal = {Synthesis-Stuttgart}, number = {3}, year = {2009}, month = {FEB}, pages = {372-374}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Starting from citraconic anhydride, the first total synthesis of (+/-)-1,3,4,5-tetragalloylapiitol has been demonstrated via a stepwise route involving generation of an apiitol derivative followed by benzoylation.
}, keywords = {(+/-)-1, 3, 4, 5-tetragalloylapiitol, allylic hydroxylation, Natural products, osmium tetroxide}, issn = {0039-7881}, doi = {10.1055/s-0028-1083310}, author = {Patel, Ramesh M. and N. P. Argade} } @article {43208, title = {Total synthesis of (+/-)-petasitolone and (+/-)-fukinone}, journal = {Synthesis-Stuttgart}, year = {2009}, month = {NOV}, pages = {3833-3837}, abstract = {An efficient, general, and fully stereocontrolled synthesis of eremophilane-type compounds is disclosed. The approach features a highly diastereoselective Diels-Alder/aldol sequence to give a common intermediate, which is subsequently exploited to produce (+/-)-petasitolone and (+/-)-fukinone in a short sequence.}, doi = {10.1055/s-0029-1218150}, author = {Pasikanti, Srinivas and Reddy, D. Srinivasa and Iqbal, Javed and Dubey, Pramod Kumar and Das, Parthasarathi} } @article { ISI:000265052800004, title = {Total synthesis of verbalactone: an efficient, carbohydrate-based approach}, journal = {Tetrahedron Letters}, volume = {50}, number = {18}, year = {2009}, month = {MAY}, pages = {2048-2049}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A carbohydrate-based strategy for the total synthesis of verbalactone has been described. (3R,5R)-3,5-dihydroxydecanoic acid was dimerised under Yamaguchi conditions to provide verbalactone in an overall yield of 17\% starting from 3-deoxy-1,2:5,6-di-O-isopropylidine-alpha-D-glucofuranose. (c) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Chiral pool approach, D-Glucose, verbalactone, Yamaguchi{\textquoteright}s macrolactonization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.02.062}, author = {Salunke, Ganesh B. and Shivakumar, I. and Gurjar, Mukund K.} } @article { ISI:000269243000011, title = {Traditional medicine-inspired approaches to drug discovery: can ayurveda show the way forward?}, journal = {Drug Discovery Today}, volume = {14}, number = {15-16}, year = {2009}, month = {AUG}, pages = {804-811}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Drug discovery strategies based on natural products and traditional medicines are re-emerging as attractive options. We suggest that drug discovery and development need not always be confined to new molecular entities. Rationally designed, carefully standardized, synergistic traditional herbal formulations and botanical drug products with robust scientific evidence can also be alternatives. A reverse pharmacology approach, inspired by traditional medicine and Ayurveda, can offer a smart strategy for new drug candidates to facilitate discovery process and also for the development of rational synergistic botanical formulations.
}, issn = {1359-6446}, doi = {10.1016/j.drudis.2009.05.009}, author = {Patwardhan, Bhushan and Mashelkar, Raghunath Anant} } @article { ISI:000271103500009, title = {Transesterification of edible and nonedible vegetable oils with alcohols over heteropolyacids supported on acid-treated clay}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9408-9415}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In the current work, the novelty of heteropolyacid on clay (K-10) for the transesterification of vegetable oil with lower and higher alcohols is presented. Methyl esters (biodiesel) and glycerol were produced by the transesterification of vegetable oil with methanol in the presence of dodecatungestophosphoric acid (DTPA) supported on K-10 clay. The transesterification consists of three consecutive reversible reactions Diglycerides (DG) and monoglycerides (MG) are intermediate products. The optimal catalyst concentration was 5\% w/w of oil. Detailed studies were done for optimization of the process parameters. The rate of transesterification in a batch reactor increased with temperature up to 170 degrees C. Higher temperatures did not reduce the time to reach maximum conversion. The study was also extended to reactions of different edible and nonedible oils with lower and higher alcohols. The conversion of TG, DG, and MG seemed to be a second-order mechanism for the forward and reverse reactions, where the reaction system could be described as a pseudo-heterogeneous catalyzed reaction. The reaction rate constants for the TG. DG, and MG transesterification reactions were 0.12-0.84 h(-1) and were higher for the MG reaction than for the TG transesterification. The activation energies were 4.2, 26, and 7.4 kcal/mol for the TG, DG, and MG transesterification reactions, respectively. The proposed kinetic model fits the experimental results well.
}, issn = {0888-5885}, doi = {10.1021/ie801543k}, author = {Bokade, Vijay V. and Yadav, Ganapati D.} } @article { ISI:000267531100032, title = {Transesterification of sunflower oil catalyzed by flyash-based solid catalysts}, journal = {Fuel}, volume = {88}, number = {9}, year = {2009}, month = {SEP}, pages = {1773-1778}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Flyash-based base catalyst was used in the transesterification of sunflower oil with methanol to methyl esters in a heterogeneous manner. Catalyst preparation variables such as, the KNO(3) loading amount and calcination temperature were optimized. The catalysts were characterized by powder XRD. The catalyst prepared by loading of 5 wt.\% KNO(3) on flyash followed by its calcination at 773 K has exhibited maximum oil conversion (87.5 wt.\%). The influence of various reaction parameters such as \% catalyst loading, methanol to oil molar ratio, reaction time, temperature, reusability of the catalyst on the catalytic activity was investigated. K(2)O derived from KNO(3) might be an essential component in the catalyst for its efficiency. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Flyash, heterogeneous catalyst, Methyl ester, Sunflower oil, transesterification}, issn = {0016-2361}, doi = {10.1016/j.fuel.2009.04.004}, author = {Kotwal, M. S. and Niphadkar, P. S. and Deshpande, Suvarna S. and Bokade, Vijay V. and Joshi, P. N.} } @article {42800, title = {Transfer of technology (ToT) document of polyimide binder resins}, year = {2009}, month = {JAN}, author = {Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Dwivedi, Mayank and Chavan. N. N. and Qureshi, Moham and Bhongale, Sunil Sitaram and Rao, Locanindi Hari Sarvothama and Dhansekharan, Janakiraman and Mohan, S. Krishna and Deokar, Sarika Babasaheb and Momin, Mohasin Shamshuddin} } @article { ISI:000263071500026, title = {Two modes of O-H center dot center dot center dot O hydrogen bonding utilized in dimorphs of racemic 6-O-acryloyl-2-O-benzoyl-myo-inositol 1,3,5-orthoformate}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {65}, year = {2009}, month = {FEB}, pages = {O54-O57}, publisher = {WILEY-BLACKWELL PUBLISHING, INC}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
The title compound, C(17)H(16)O(8), yields conformational dimorphs [forms (I) and (II)] at room temperature, separately or concomitantly, depending on the solvent of crystallization. The yield of crystals of form (I) is always much more than that of crystals of form (II). The molecule has one donor -OH group that can make intermolecular O-H center dot center dot center dot O hydrogen bonds with one of the two acceptor C O groups, as well as with the hydroxyl O atom; interestingly, each of the options is utilized separately in the dimorphs. The crystal structure of form (I) contains one molecule in the asymmetric unit and is organized as a planar sheet of centrosymmetric dimers via O H center dot center dot center dot O hydrogen bonds involving the OH group and the carbonyl O atom of the acryloyl group. In the crystal structure of form (II), which contains two independent molecules in the asymmetric unit, two different O-H center dot center dot center dot O hydrogen bonds, viz. hydroxyl-hydroxyl and hydroxyl-carbonyl (benzoyl), connect the molecules in a layered arrangement. Another notable feature is the transformation of form (II) to form (I) via melt crystallization upon heating to 411 K. The higher yield of form (I) during crystallization and the thermal transition of form (II) to form (I) suggest that the association in form (I) is more highly favoured than that in form (II), which is valuable in understanding the priorities of molecular aggregation during nucleation of various polymorphs.
}, issn = {0108-2701}, doi = {10.1107/S0108270109000225}, author = {Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000269197400038, title = {Two-phase flow in minichannels: hydrodynamics, pressure drop, and residence time distribution}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {17}, year = {2009}, month = {SEP}, pages = {8193-8204}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Two-phase flow in mini-channels (1 mm x 1.5 mm x 430 mm and 1.5 mm x 0.5 mm x 430 mm serpentine channel geometry) made in different materials (SS 316, PMMA and Teflon) was studied at different flow rate ratio (0.66, 1.0 and 1.56) of the two immiscible fluids. A dual syringe pump was used to pump the fluids (air-water and water-kerosene) through the channels. For characterization of the two phase flow, experiments were carried out to measure the slug size distribution and relevant hydrodynamic properties, pressure drop across a single serpentine unit (i.e., one sinusoidal unit that includes two 180 degrees return bends connected by a straight portion of 20 mm) and also the residence time distribution of water. In all the cases, the effect of material of fabrication on the hydrodynamics was significant. Apart from flow rates and flow rate ratio of the two fluids, the slug size distribution was seen to have a strong effect of the channel orientation (vertical, horizontal) and also the flow direction (up-flow and down-flow). In the RTD studies, the response curve observed at the end of the channel was significantly different than the published literature. The reasons for such observations are discussed in detail.
}, issn = {0888-5885}, doi = {10.1021/ie801937x}, author = {Kulkarni, A. A. and Kalyani, Vishwanath S.} } @article { ISI:000269310600079, title = {Ultrafast switching time and third order nonlinear coefficients of microwave treated single walled carbon nanotube suspensions}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {9}, year = {2009}, note = {International Conference on Nanoscience and Technology, Chennai, INDIA, FEB 27-29, 2008}, month = {SEP}, pages = {5550-5554}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Microwave treated water soluble and amide functionalized single walled carbon nanotubes have been investigated using femtosecond degenerate pump-probe and nonlinear transmission experiments. The time resolved differential transmission using 75 femtosecond pulse with the central wavelength of 790 nm shows a bi-exponential ultrafast photo-bleaching with time constants of 160 fs (130 fs) and 920 fs (300 fs) for water soluble (amide functionalized) nanotubes. Open and closed aperture z-scans show saturation absorption and positive (negative) nonlinear refraction for water soluble (amide functionalized) nanotubes. Two photon absorption coefficient, beta(0) similar to 250 cm/GW (650 cm/GW) and nonlinear index, gamma similar to 15 cm(2)/pW (-30 cm(2)/pW) are obtained from the theoretical fit in the saturation limit to the data for two types of nanotubes.
}, keywords = {Nonlinear Optical Coefficients, SWCNT, Ultra-Fast Switching}, issn = {1533-4880}, doi = {10.1166/jnn.2009.1184}, author = {Kamaraju, N. and Kumar, Sunil and Karthikeyan, B. and Kakade, Bhalchandra A. and Pillai, Vijayamohanan K. and Sood, A. K.} } @article { ISI:000262781700012, title = {Ultrasound assisted synthesis of polyacrylic acid-nanoclay nanocomposite and its application in sonosorption studies of malachite green dye}, journal = {Ultrasonics Sonochemistry}, volume = {16}, number = {3}, year = {2009}, month = {MAR}, pages = {351-355}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Synthesis of nanoclay nanocomposite has been undertaken by using polyacryalic acid (PAA) in aqueous medium and ultrasound environment and its application in dye removal has been investigated. The synthesized product was characterized by using FTIR and XRD techniques. The sonosorption capacity of the product namely PAA-nanoclay composite was determined by choosing malachite green (MG) dye as a model pollutant. The effects of various parameters such as nanocomposite loading, pH, various process conditions etc. have been studied. On comparing the results obtained with that of nanoclay as an adsorbent, it was found for an initial concentration of 500 mg/l, the PAA-nanoclay nanocomposite exhibited higher percentage of pollutant removal (68\%) and for nanoclay it was 54\%. The adsorption data has been correlated using Langmuir and Freundlich models. The fit of the Freundlich isotherm model was found to be good in the entire range of concentration for the experimental sorption data obtained on the nanoclay nanocomposite. A plausible reaction mechanism for use of PAA-nanoclay nanocomposite as ail adsorbent is also proposed. (c) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Malachite Green, Nanocomposite, Polyacrylic acid, Sonosorption, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2008.10.008}, author = {Sonawane, S. H. and Chaudhari, P. L. and Ghodke, S. A. and Parande, M. G. and Bhandari, Vinay M. and Mishra, Satyendra and Kulkarni, R. D.} } @article { ISI:000263399700004, title = {Utilization of sugarcane bagasse cellulose for producing cellulose acetates: novel use of residual hemicellulose as plasticizer}, journal = {Carbohydrate Polymers}, volume = {76}, number = {1}, year = {2009}, month = {MAR}, pages = {23-29}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Sugarcane bagasse was fractionated to cellulose, hemicellulose and lignin by a proprietary steam explosion process, followed by downstream purifications, developed in our laboratory. The fractionated cellulose contained similar to 94\% cellulose, about similar to 5\% hemicellulose, traces of lignin (similar to 0.2\%), and similar to 1\% ash. The cellulose was acetylated under heterogeneous conditions to obtain cellulose acetates. These were extensively characterized using FTIR, TGA, DSC, GPC, HPIC, WAXRD, and viscometry. The novel feature of this study was the utilization of the hemicellulose content (5\%) of bagasse cellulose as an internal plasticizer. Through kinetic experimentation, we have demonstrated that the residual hemicellulose need not be considered as an impurity; rather it can be used in acetylated form as a plasticizer as well as a biodegradable additive for cellulose acetates made from slightly impure cellulose produced from non-wood origin. Our results therefore show how lignocellulosic agricultural wastes can be utilized to produce high value plastics. (C) 2008 Elsevier Ltd. All rights reserved.
}, keywords = {Bagasse cellulose, Cellulose acetate, Hemicellulose, Plasticizer, Sugarcane bagasse, Xylan acetate}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2008.09.014}, author = {Shaikh, Hamid M. and Pandare, Kiran V. and Nair, Greeshma and Varma, Anjanikumar} } @article { ISI:000268215200019, title = {Vapour sensing with conductive polymer nanocomposites (CPC): polycarbonate-carbon nanotubes transducers with hierarchical structure processed by spray layer by layer}, journal = {Sensors and Actuators B-Chemical}, volume = {140}, number = {2}, year = {2009}, month = {JUL}, pages = {451-460}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The development of conductive polymer nanocomposite (CPC) sensors for volatile organic compounds (VOC) detection has been carried out using a spray layer by layer (LbL) process. This technique was successfully used to hierarchically structure polycarbonate-multiwall carbon nanotubes (PC-CNT) solutions into a double percolated architecture as attested by atomic force microscopy (AFM) and optical microscopy (OM). PC-CNT vapour sensing behaviour was investigated as a function of CNT content, films thickness, vapour flow and vapours solubility parameter. The response ranking A(r)(toluene)\>A(r)(methanol)\>A(r)(water)of PC-CNT was found to be coherent with kappa(12) Flory-Huggins interaction parameters provided that signals are normalised by analyte molecules number. Signals shape was interpreted to the light of Langmuir-Henry-Clustering (LHC) model and found to be proportional to vapour content. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Atomic force microscopy, carbon nanotube, Chemo-electrical behaviour, Conductive polymer nanocomposite, Vapour Sensing, Volatile organic compounds}, issn = {0925-4005}, doi = {10.1016/j.snb.2009.05.006}, author = {Lu, Jianbo and Kumar, Bijandra and Castro, Mickael and Feller, Jean-Francois} } @article { ISI:000264434000008, title = {Variation in acid moiety of polybenzimidazoles: investigation of physico-chemical properties towards their applicability as proton exchange and gas separation membrane materials}, journal = {Polymer}, volume = {50}, number = {6}, year = {2009}, month = {MAR}, pages = {1403-1413}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A series of polybenzimidazoles (PBIs) were prepared from 3,3{\textquoteright}-diaminobenzidine (DAB) and substituted aromatic dicarboxylic acids. Effects of added polarity, bulk and isomerism in the dicarboxylic acid moiety on the properties of formed aromatic polybenzimidazoles were investigated. Solution polycondensation procedure was optimized for individual case of PBI synthesis in order to obtain inherent viscosity of \>= 1 dL/g. Analysis of physical properties, water uptake, acid doping (H(3)PO(4) and H(2)SO(4)) and gas permeability was performed. All these PBIs exhibited high thermal stability, good solvent solubility and amorphous nature. The uptake of H(3)PO(4) varied from 9 to 20.1 moles per repeat unit (mol/RU), H(2)SO(4) uptake varied from 3.39 to 3.81 mol/RU, while water uptake varied from 1.8 to 3.6 mol/RU of PBI. The dibromoterephthalic acid and tert-butylisophthalic acid based PBI showed the highest H(3)PO(4) uptake in the series, while tert-butylisophthalic acid based PBI exhibited the highest water uptake. Acid uptake was correlated with swelling of the PBI matrix, while density estimation of H(3)PO(4)-doped PBI by He gas expansion method could be correlated to the physical state of PBI. 5-tert-Butylisophthalic acid and 4,4{\textquoteright}-(hexafluoroisopropylidene)bis(benzoic acid) based PBI exhibited higher H(2) and O(2) permeability than other PBIs. The ideal gas selectivity for O(2)/H(2) was considerably higher for most of the PBIs than conventional gas separation membrane materials. These analyses suggested that some of these PBIs have a potential to be used as a PEM or gas separation membrane material. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Gas permeability, Polybenzimidazole, Proton exchange membrane}, issn = {0032-3861}, doi = {10.1016/j.polymer.2009.01.043}, author = {Kumbharkar, S. C. and Islam, Md. Nazrul and Potrekar, R. A. and Kharul, Ulhas K.} } @article { ISI:000263021000003, title = {Vinyl-2-pyrrolidone derivatized guar gum based aqueous two-phase system}, journal = {Separation and Purification Technology}, volume = {65}, number = {1, SI}, year = {2009}, month = {FEB}, pages = {9-13}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Aqueous two-phase systems (ATPs) are formed when certain combinations of two polymers or polymer and salt are added to water. Phase separation occurs at certain specific concentrations that have similar densities and low interfacial tensions. The present study involves synthesis and application of a novel derivatized guar in aqueous two-phase system. The derivation of guar gum was performed by grafting of 1-vinyl-2-pyrrolidone by a redox reaction in aqueous medium ceric ammonium nitrate (CAN) and potassium Peroxydisulfate(K2S2O8). The ratio of grafting efficiency (\%GE) and ratio of grafting (\%G) was 56\% and 70.1\% respectively. The grafted copolymers were characterized for percent yield and FTIR absorbance. A new aqueous two-phase extraction protocol was established using a mixture of derivatized guar and dextran. A phase diagram was constructed based on the phase separation exhibited by the system at 25 degrees C. The partition coefficient was determined for standard bovine serum albumin (BSA), lactate oxidase (LO) and phytase. The partitioning coefficients were 0.479, 1.981, and 2.586 respectively in the Dextran (2 mill ion)/V-GG/H2O system. The influence of an ionic salt sodium chloride (NaCl) was investigated on the partitioning of BSA. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Aqueous two phase, graft copolymers, Guar gum, Partition coefficient (K), Phase diagram, Vinyl pyrrolidone, viscosity}, issn = {1383-5866}, doi = {10.1016/j.seppur.2008.03.020}, author = {Kautharapu, Kumar and Pujari, Narahari S. and Golegaonkar, Sandeep B. and Ponrathnam, Surendra and Nene, Sanjay N. and Bhatnagar, D.} } @article { ISI:000264558200004, title = {Visible light induced photoreduction of methyl orange by N-doped mesoporous titania}, journal = {Applied Catalysis A-General}, volume = {357}, number = {1}, year = {2009}, month = {MAR}, pages = {26-33}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
N-doped mesoporous titania was synthesized using templating method. Biopolymer chitosan was used as a template and also as a nitrogen source along with ammonium hydroxide. Three different types of N-doped mesoporous titania were synthesized by varying composition of chitosan and titania precursor. These photocatalysts were characterized using XRD, BET-SA, FTIR, UV-DRS, SEM-EDX and XPS analysis. The photocatalytic activity of mesoporous titania was studied by methyl orange (MO) photoreduction reaction. From the experimental results it was observed that the N-doped mesoporous titania (1:2) gives the highest photocatalytic reduction of MO as compared to N-doped mesoporous titania prepared with (1:1) and (1:3) stoichiometry. This could be due to the optimal level of {\textquoteleft}N{\textquoteright} incorporation in the N-doped mesoporous titania (1:2). Photocatalysts reduce the MO dye into derivative of hydrazine. Photoactivity of N-doped mesoporous titania (1:2) is 1.0721 mg of MO reduced per g of TiO2 vis-a-vis 0.508 mg of MO reduced per g of TiO2 for Degussa P25 photocatalyst. The effect of various operating parameters like photocatalyst loading. initial concentration and intensity of light also has been studied. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {biopolymer, Chitosan, MO photoreduction, N-doped mesoporous titania, Visible active photocatalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.12.030}, author = {Joshi, Meenal M. and Labhsetwar, Nitin K. and Mangrulkar, Priti A. and Tijare, Saumitra N. and Kamble, Sanjay P. and Rayalu, Sadhana S.} } @article { ISI:000262449000038, title = {VLS-like growth and characterizations of dense ZnO nanorods grown by e-beam process}, journal = {Journal of Physics D-Applied Physics}, volume = {42}, number = {3}, year = {2009}, month = {FEB}, pages = {035310}, publisher = {IOP PUBLISHING LTD}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {
We present a new approach to produce ZnO nanorods in a reproducible manner at a temperature lower than other physical vapour deposition techniques, such as the vapour-liquid-solid mechanism. Arrays of well-aligned ZnO nanorods of uniform diameter have been synthesized on the Si substrate precoated with Au, using a simple electron beam evaporation method without the flow of any carrier gas. Scanning electron microscopy and atomic force microscopy characterizations show that as-grown nanorods are well aligned and uniform in diameter. X-ray diffraction measurements and clear lattice fringes in high-resolution transmission electron microscopy image show the growth of good quality polycrystalline hexagonal ZnO nanorods and a \< 0 0 2 \> growth direction. The polarization-dependent studies of near edge x-ray absorption fine structure (NEXAFS) are performed to investigate the electronic structure of the zinc and oxygen ions. The analysis of NEXAFS spectra at different angles of incidence of photon flux indicates the formation of ZnO nanorods having anisotropic behaviour of O and Zn states. The photoluminescence spectrum exhibits strong ultraviolet emission at 385 nm and the UV-visible spectrum also shows a band-gap transition around 390 nm indicating the good quality of nanorods. The catalytic growth mechanism of the ZnO nanorods is discussed on the basis of experimental results in this work.
}, issn = {0022-3727}, doi = {10.1088/0022-3727/42/3/035310}, author = {Agarwal, Dinesh C. and Chauhan, R. S. and Avasthi, D. K. and Sulania, I. and Kabiraj, D. and Thakur, P. and Chae, K. H. and Chawla, Amit and Chandra, Ramesh and Ogale, S. B. and Pellegrini, G. and Mazzoldi, P.} } @article { ISI:000266364000003, title = {Wind tunnel investigation of the distortion of polluted water drops in the horizontal electric fields}, journal = {Journal of Geophysical Research-Atmospheres}, volume = {114}, year = {2009}, month = {MAY}, pages = {D10205}, publisher = {AMER GEOPHYSICAL UNION}, address = {2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA}, abstract = {
Distortion of the water drops freely suspended in a vertical wind tunnel is investigated when these drops are polluted with sulphate/nitrate salt and are also subjected to the horizontal electric fields. Results show that although the drops{\textquoteright} average shape is not significantly affected, the magnitudes of drop oscillations decrease when these are formed from the water polluted with sulphate/nitrate salt. However, when these polluted drops are placed in a horizontal electric field, their oblateness increases with respect to that of the distilled water drops, and this increase in oblateness is more in higher electric fields. Results can possibly be explained because of the increase in surface tension, viscosity and density, and a more dominant effect due to the increase in electrical conductivity of the polluted water. Significance of the results is discussed in view of the possible modification of lightning activity in clouds formed over big cities.
}, issn = {2169-897X}, doi = {10.1029/2008JD011102}, author = {Bhalwankar, Rohini V. and Kamra, A. K.} } @article { ISI:000263397000011, title = {Winged bean chymotrypsin inhibitors retard growth of Helicoverpla anmigera}, journal = {Gene}, volume = {431}, number = {1-2}, year = {2009}, month = {FEB}, pages = {80-85}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Two putative Kunitz-type chymotrypsin inhibitor genes (WC12 and WC15) were isolated from winged bean (Psophocarpus tetragonolobus (L.) DC). While WC12 has previously been characterized, WC15 represents a new member of the WC1 family. WC15 was exclusively expressed in winged bean seeds. Theoretical translation of both the genes resulted into polypeptides of 207 amino acids with 86\% sequence similarity. The polypeptide sequences contain four half-cysteine residues and a well-conserved Leu(65)-Ser(66) reactive site, typical for chymotrypsin inhibitors. WC15 and WC12 were expressed in Pichia pastoris and the recombinant proteins were assayed against various proteinases. Both the inhibitors strongly inhibited commercially available bovine chymotrypsin. More importantly, gut proteinases of Helicoverpa armigera larvae that damage many important crop plants, were inhibited by WC12 and WC15. In addition, both proteinase inhibitors demonstrated significant reduction of growth of H. armigera larvae after feeding on inhibitor incorporated artificial diets. The inhibitory effects of WC12 and WC15 on activity of proteinases and larval growth make these proteins and their genes promising candidates for enhancing plant defense against H. armigera using transgenic plants. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {Antimetabolic effect, Digestive gut proteinases, Kunitz-type proteinase inhibitor, Organ-specific mRNA expression, Psophocarpus tetragonolobus}, issn = {0378-1119}, doi = {10.1016/j.gene.2008.10.026}, author = {Telang, Manasi A. and Giri, Ashok P. and Pyati, Prashant S. and Gupta, Vidya S. and Tegeder, Mechthild and Franceschi, Vincent R.} } @article { ISI:000264541800007, title = {Y-junction nanostructures of palladium: enhanced electrocatalytic properties for fuel cell reactions}, journal = {Journal of Electroanalytical Chemistry}, volume = {627}, number = {1-2}, year = {2009}, month = {MAR}, pages = {58-62}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Here we demonstrate the utility of hierarchically designed alumina templates for the formation of palladium Y-junction nanostructures through a chemical vapor deposition route. These structures exhibit enhanced electrocatalytic activity for the oxidation of formic acid (up to 1020\%) compared to that of platinum Y-junction nanostructures, which could be of immense relevance to portable fuel cell technology, since designing a better electrocatalyst for fuel cell reactions continues to be an important challenge. Apart from the obvious applications in fuel cell electrocatalysis, these Y-junction nanostructures could also act as promising candidates for room temperature hydrogen separation and more importantly as interconnects in molecular scale electronic devices. The present method of fabrication of Y-junction nanostructures using hierarchical alumina templates could be extended to other metallic/semiconducting systems facilitating more general opportunities for such hierarchical designs in nanoelectronics. (C) 2008 Elsevier B.V. All rights reserved.
}, keywords = {electrocatalysts, fuel cells, Hierarchical structures, Nanostructure, Porous alumina membrane, Y-junctions}, issn = {1572-6657}, doi = {10.1016/j.jelechem.2008.12.021}, author = {Subhramannia, Mahima and Ramaiyan, Kannan and Aslam, Mohammed and Pillai, Vijayamohanan K.} } @article { ISI:000263875000017, title = {Yttria-zirconia-based lewis acid catalysis of the biginelli reaction: an efficient one-pot synthesis of 3,4-dihydropyrimidin-2-(1H)-ones}, journal = {Synthetic Communications}, volume = {39}, number = {7}, year = {2009}, month = {MAR}, pages = {PII 909239399}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Yttria-zirconia-based Lewis acid efficiently catalyzes the three-component cyclocondensation reaction of aldehyde, -keto ester, and urea or thiourea in refluxing acetonitrile to produce the corresponding dihydropyrimidones in high yields.
}, keywords = {Biginelli reaction, dihydropyrimidone, yttria-zirconia-based Lewis acid}, issn = {0039-7911}, doi = {10.1080/00397910802519174}, author = {Ramalingam, S. and Kumar, Pradeep} } @article { ISI:000284967000058, title = {Abrupt shear thickening of aqueous solutions of hydrophobically modified poly(N,N {\textquoteleft}-dimethylacrylamide-co-acrylic acid)}, journal = {Macromolecules}, volume = {43}, number = {23}, year = {2010}, month = {DEC}, pages = {10055-10063}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report some new and interesting observations on the abrupt and large shear-induced thickening of aqueous solutions of hydrophobically modified poly(N,N{\textquoteright}-dimethylacrylamide-co-acrylic acid). High molecular weight copolymer was prepared by free radical copolymerization of N,N{\textquoteright}-dimethylacrylamide [DMA] and acrylic acid [AA] and was subsequently modified to different extents using a hydrophobic compound, namely, 3-pentadecylcyclohexylamine [3-PDCA], which is derived from a renewable resource material, cashew nutshell liquid [CNSL]. The structural elucidation of the base copolymer and the hydrophobically modified copolymers was performed by (1)H and (13)C NMR spectroscopy. The zero shear viscosities [eta(0)] of the hydrophobically modified polymers were lower than that of the precursor poly(N,N{\textquoteright}-dimethylacrylamide-co-acrylic acid) until some critical polymer concentration, which increased with increase in hydrophobic modification. Above the critical concentrations, the eta(0) of the hydrophobically modified copolymers surpassed that of the precursor at the same concentration. At moderate shear rates some of these hydrophobically modified copolymers exhibited an abrupt shear-induced thickening in which the viscosity of the samples increased severalfold. We show here from creep experiments that thickening occurs only when the shear rate reaches a critical value, (gamma) over dot(crit), and that the thickened samples can be trapped in different metastable states by controlling the applied stress. Interestingly, the shear thickened samples showed further thickening upon decreasing the applied stress. Eventually, the metastable samples revert to their equilibrium states at characteristic time that depends on (small) probe stress.
}, issn = {0024-9297}, doi = {10.1021/ma1017378}, author = {Lele, Ashish K. and Shedge, Aarti and Badiger, Manohar V. and Wadgaonkar, Prakash and Chassenieux, Christophe} } @article { ISI:000276010700025, title = {Acidity tuning of montmorillonite K10 by impregnation with dodecatungstophosphoric acid and hydroxyalkylation of phenol}, journal = {Applied Clay Science}, volume = {48}, number = {1-2, SI}, year = {2010}, month = {MAR}, pages = {164-170}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Acidity tuning of montmorillonite K10 (mont K10) was achieved by impregnating with dodecatungstophosphoric acid (DTP). The effect on the hydroxyalkylation of phenol was studied at 353 K with phenol to formaldehyde molar ratio of 5. The nature and strength of acid sites were determined by NH(3)-TPD measurement while the distribution of Brensted and Lewis acid sites expressed as B/L ratio, was determined by pyridine IR technique. Among various loadings of DTP (5-60\%) studied for the hydroxyalkylation of phenol, 20\% DTP/mont K10 showed the highest catalyst activity (90\% selectivity to bisphenol F with 28\% conversion of phenol). Both total concentration of acid sites and the distribution of acid sites in a high temperature region were required for the high bisphenol F selectivity. Our catalyst (20\% DTP/Mont K10) could be recycled three times. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Acidity tuning, Dodecatungstophosphoric acid/Montmorillonite K10, Hydroxyalkylation, Impregnation, Temperature programmed desorption}, issn = {0169-1317}, doi = {10.1016/j.clay.2009.11.042}, author = {Garade, Ajit C. and Kshirsagar, V. S. and Mane, R. B. and Ghalwadkar, Ajay A. and Joshi, U. D. and Rode, C. V.} } @article { ISI:000280389500002, title = {Addition of a silyl ketene acetal to alpha,beta-unsaturated cyclic anhydrides}, journal = {Synthetic Communications}, volume = {40}, number = {16}, year = {2010}, month = {JUL}, pages = {PII 924771265}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Addition of [1-methoxy-2 methyl-1-propenyl)-oxy] trimethylsilane (MTS) to unsymmetrical ,-unsaturated cyclic anhydrides (namely, itaconic anhydride and citraconic anhydride) as well as symmetrical anhydrides (namely, maleic anhydride and 2,3-dimethylmaleic anhydride) was investigated. Itaconic anhydride isomerizes to citraconic anhydride in the presence of MTS. In the presence of Lewis acid catalysts (Yb(OTf)3/CH2Cl2), MTS adds to itaconic anhydride at room temperature in a 1,4-fashion. 1,2-Addition is the preferred pathway with both 2,3-dimethyl maleic anhydride and citraconic anhydride.
}, keywords = {1, 2-Addition, 4-addition, cyclic anhydrides, Lewis acid, Silyl ketene acetal}, issn = {0039-7911}, doi = {10.1080/00397910903243815}, author = {Gnaneshwar, Rudhramyna and Sivaram, Swaminathan} } @article { ISI:000273403400066, title = {Adsorption induced enzyme denaturation: the role of polymer hydrophobicity in adsorption and denaturation of alpha-chymotrypsin on allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymers}, journal = {Langmuir}, volume = {26}, number = {2}, year = {2010}, month = {JAN}, pages = {1096-1106}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Effects of changes in hydrophobicity of polymeric support oil structure and activity of alpha-chymotrypsin (E.C.3.4.21.1) have been studied with copolymers of allyl glycidyl ether (AGE) and ethylene glycol dimethacrylate (EGDM) with increasing molar ratio of EGDM to AGE (cross-link density 0.05 to 1.5). The enzyme is readily adsorbed front aqueous buffer at room temperature following Langmuir adsorption isotherms in unexpectedly large amounts (25\% w/w). Relative hydrophobicity of the copolymers has been assessed by studying adsorption of naphthalene and Fmoc-methionine by the series of copolymers from aqueous solutions. Polymer hydrophobicity appears to increase linearly oil increasing cross-link density from 0.05 to 0.25. Further increase in cross-link density Causes a decrease in naphthalene binding but has little effect on binding of Fmoc-Met. Binding of alpha-chymotrypsin to these copolymers follow the trend for Fmoc-methionine binding, rather than naphthalene binding, indicating involvement of polar interactions along with hydrophobic interactions during binding of protein to the polymer. The adsorbed enzyme undergoes extensive denaturation (ca. 80\%) with loss of both tertiary and secondary structure on contact with the copolymers as revealed by fluorescence, CID and Raman spectra of the adsorbed protein. Comparison of enzyme adsorption behavior with Eupergit C, macroporous Amberlite XAD-2, and XAD-7 Suggests that polar interactions of the EGDM ester functional groups with the protein play a significant role in enzyme denaturation.
}, issn = {0743-7463}, doi = {10.1021/la904114u}, author = {Lahari, Challa and Jasti, Lakshmi Swarnalatha and Fadnavis, Nitin W. and Sontakke, Kalpana and Ingavle, Ganesh C. and Deokar, Sarika Babasaheb and Ponrathnam, Surendra} } @article { ISI:000284342100003, title = {Adsorption of fluoride from aqueous solution by alumina of alkoxide nature: batch and continuous operation}, journal = {Desalination}, volume = {264}, number = {1-2}, year = {2010}, month = {DEC}, pages = {15-23}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In this investigation, we report the adsorption potential of alkoxide origin alumina for defluoridation of drinking water using batch and continuous mode of operations. The effects of different operating parameters such as adsorbent dose, initial fluoride concentration, pH of the solution and interfering ions (usually present in groundwater) were studied with a view to understand the adsorption behavior of the material under various conditions. A thermodynamic study shows that the adsorption of fluoride by alkoxide origin alumina is an exothermic and spontaneous process. The kinetic results showed that the fluoride sorption follows pseudo-second-order kinetics. The applicability of adsorbent in the field is also tested through column breakthrough studies. It has been observed that with an increase in the flow rate and initial fluoride concentration, the breakthrough curve becomes sharper and the breakthrough time and adsorbed fluoride ion concentration decrease. The breakthrough curve also becomes steeper as the bed height increases. The alkoxide origin alumina based adsorbent media can be used directly for field applications since it is also commercially available in granular form. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Adsorption, Alkoxide alumina, Breakthrough studies, Fluoride, Kinetic modeling}, issn = {0011-9164}, doi = {10.1016/j.desal.2010.07.001}, author = {Kamble, Sanjay P. and Deshpande, Gunavant and Barve, Prashant P. and Rayalu, Sadhana and Labhsetwar, Nitin K. and Malyshew, Alexander and Kulkarni, Bhaskar D.} } @article { ISI:000281128700008, title = {Adsorption of nonionic surfactant on silica nanoparticles: structure and resultant interparticle interactions}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {34}, year = {2010}, month = {SEP}, pages = {10986-10994}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Addition of nonionic surfactant, C(12)E(9), to an aqueous dispersion of charge stabilized silica nanoparticles renders particle aggregation reversible. In contrast, aggregation of the same silica particles in aqueous solutions is irreversible. We use a combination of small-angle X-ray scattering (SAXS) and contrast matching small-angle neutron scattering (SANS) to investigate interparticle interactions and microstructure in dispersions of silica particles in aqueous nonionic surfactant solutions. We show that the silica particles interact through a screened Coulombic interaction in aqueous dispersions; interestingly, this interparticle interaction is hard-sphere-like in surfactant solutions. In surfactant solutions, we show that the final surfactant-particle structure can be modeled as 14 micelles adsorbed (on average) on the surface of each silica particle. This gives rise to the short-range interparticle repulsion that makes particle aggregation reversible, and results in the hard sphere interparticle interaction potential. Finally, we show that adsorption of polyethylene imine on the surface of the silica particles prevents adsorption of surfactant micelles on the particle surface.
}, issn = {1520-6106}, doi = {10.1021/jp1033799}, author = {Sharma, Kamendra P. and Aswal, Vinod K. and Kumaraswamy, Guruswamy} } @article {42793, title = {Amino functionalized oligoimides telechelics}, number = {2922/DEL/2010 A}, year = {2010}, month = {AUG}, type = {India Patents}, abstract = {
This invention relates to a process for the preparation of amino functionalized oligoimide telechelics. More particularly it relates to a process for the preparation of soluble oligoimide prepolymers which can be used as matrix resins that can be rapidly cured to form stable polyimides with amino end functionalities. The amino functionalized oligoimide telechelics are suitable for conversion into three dimensional polymeric systems through condensation chemistry such as reaction with oligo epoxies (epoxy-imide resins), polyacids (polyamide imides) and polyhalogenated compounds (poly amine - imides) to form crosslinked structures having enhanced thermal stability and mechanical strength. The polymers prepared by the process of this invention can be used as materials in advanced composites having high temperature stability.
}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Rajan, Chelanattukizhakkemadath Raman and Deokar, Sarika Babasaheb and Mulani, Khudbudin Baban and Ghorpade, Ravindra V. and Bhongale, Sunil Sitaram and Nalawade, Archana Chetan and Sontakke, Kalpana Vishwanathrao and Shaikh, Wasif Abdul Lateef and Chavan, Nayaku and Qureshi, Mohammed Shadbar and Dhoble, Deepa Arun and Mule, Smita Atmaram and Bhosle, Sonali Madhavrao and Momin, Mohasin Shamshuddin} } @article { ISI:000280527500021, title = {Amino/guanidino-functionalized N-(pyrrolidin-2-ethyl)glycine-based pet-PNA: design, synthesis and binding with DNA/RNA}, journal = {Organic \& Biomolecular Chemistry}, volume = {8}, number = {16}, year = {2010}, month = {JUN}, pages = {3742-3750}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The N-(pyrrolidin-2-ethyl) glycine-based PNA (pet-PNA) backbone, with 4-amino or 4-guanidino-functionalized pyrrolidine ring, confers constrained conformational flexibility on aegPNA. The oligomers bind to the target DNA and RNA sequences with increased sequence specificity and antiparallel versus parallel orientation selectivity. The easy post-synthetic guanidination gives very good access to the positively charged PNA oligomers.
}, issn = {1477-0520}, doi = {10.1039/c004005c}, author = {Gokhale, Sachin S. and Kumar, Vaijayanti A.} } @article {42798, title = {Amino-phenol-formaldehyde resins by in-situ generation of catalyst}, number = {2536/DEL}, year = {2010}, month = {JAN}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Tayal, Rajivkumar and Qureshi, Moham} } @article { ISI:000279803700017, title = {Antibacterial \& antiplasmid activities of Helicteres isora L.}, journal = {Indian Journal of Medical Research}, volume = {132}, number = {1}, year = {2010}, month = {JUL}, pages = {94-99}, publisher = {INDIAN COUNCIL MEDICAL RES}, address = {PO BOX 4911 ANSARI NAGAR, NEW DELHI 110029, INDIA}, abstract = {
Background \& objectives: The multiple drug resistance (MDR) is a serious health problem and major challenge to the global drug discovery programmes. Most of the genetic determinants that confer resistance to antibiotics are located on R-plasmids in bacteria. The present investigation was undertaken to investigate the ability of organic extract of the fruits of Helicteres isora to cure R-plasmids from certain clinical isolates. Methods: Active fractions demonstrating antibacterial and antiplasmid activities were isolated from the acetone extracts of shade dried fruits of H. isora by bioassay guided fractionation. Minimal inhibitory concentration (MIC) of antibiotics and organic extracts was determined by agar dilution method. Plasmid curing activity of organic fractions was determined by evaluating the ability of bacterial colonies (pre treated with organic fraction for 18 h) to grow in the presence of antibiotics. The physical loss of plasmid DNA in the cured derivatives was further confirmed by agarose gel electrophoresis. Results: The active fraction did not inhibit the growth of either the clinical isolates or the strains harbouring reference plasmids even at a concentration of 400 mu g/ml. However, the same fraction could cure plasmids from Enterococcus faecalis, Escherichia coli, Bacillus cereus and E. coli (RP4) at curing efficiencies of 14, 26, 22 and 2 per cent respectively. The active fraction mediated plasmid curing resulted in the subsequent loss of antibiotic resistance encoded in the plasmids as revealed by antibiotic resistance profile of cured strains. The physical loss of plasmid was also confirmed by agarose gel electrophoresis. Interpretation \& conclusions: The active fraction of acetone extract of H. isora fruits cured R-plasmids from Gram-positive and Gram-negative clinical isolates as well as reference strains. Such plasmid loss reversed the multiple antibiotic resistance in cured derivatives making them sensitive to low concentrations of antibiotics. Acetone fractions of H. isora may be a source to develop antiplasmid agents of natural origin to contain the development and spread of plasmid borne multiple antibiotic resistance.
}, keywords = {antibacterial activity, Antibiotic resistance, antiplasmid activity, Helicteres isora, multiple drug resistance, plasmid-curing}, issn = {0971-5916}, author = {Shriram, Varsha and Jahagirdar, Sheetal S. and Latha, C. and Kumar, Vinay and Dhakephalkar, Prashant K. and Rojatkar, Supada and Shitole, Mahadeo G.} } @article { ISI:000280656200027, title = {Antibiotic mediated synthesis of gold nanoparticles with potent antimicrobial activity and their application in antimicrobial coatings}, journal = {Journal of Materials Chemistry}, volume = {20}, number = {32}, year = {2010}, month = {JUL}, pages = {6789-6798}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report a one-pot synthesis of spherical gold nanoparticles (52-22 nm) and their capping with cefaclor, a second-generation antibiotic, without use of other chemicals. The differently sized gold nanoparticles were fabricated by controlling the rate of reduction of gold ions in aqueous solution by varying the reaction temperature (20-70 degrees C). The primary amine group of cefaclor acted as both the reducing and capping agent for the synthesis of gold nanoparticles leaving the beta-lactam ring of cefaclor available for activity against microbes. Antimicrobial testing showed that cefaclor reduced gold nanoparticles have potent antimicrobial activity against both Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria as compared to cefaclor or gold nanoparticles alone. The minimum inhibition concentrations (MICs) of cefaclor reduced gold nanoparticles were 10 mu g mL(-1) and 100 mu g mL(-1) for S. aureus and E. coli respectively. The cefaclor reduced gold nanoparticles were further coated onto poly(ethyleneimine) (PEI) modified glass surfaces to obtain antimicrobial coatings suitable for biomedical applications and were tested against E. coli as an exemplar of activity. The antimicrobial coatings were very robust under adverse conditions (pH 3 and 10), inhibited the growth of E. coli on their surfaces, and could be used many times with retained activity. Results from a combined spectroscopic (FTIR) and microscopic study (AFM) suggest that the action of these novel particles is through the combined action of cefaclor inhibiting the synthesis of the peptidoglycan layer and gold nanoparticles generating {\textquoteleft}{\textquoteleft}holes{\textquoteright}{\textquoteright} in bacterial cell walls thereby increasing the permeability of the cell wall, resulting in the leakage of cell contents and eventually cell death.
}, issn = {0959-9428}, doi = {10.1039/c0jm00817f}, author = {Rai, Akhilesh and Prabhune, Asmita and Perry, Carole C.} } @article { ISI:000273942600008, title = {Antifungal agents, WO2009025733}, journal = {Expert Opinion on Therapeutic Patents}, volume = {20}, number = {1}, year = {2010}, month = {JAN}, pages = {137-143}, publisher = {INFORMA HEALTHCARE}, address = {TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND}, abstract = {
Background: The incidence and prevalence of serious mycoses continues to be a public health problem. These infections are an important cause of morbidity and mortality, especially in immunocompromised patients. The present patent deals with isolation and characterization of a {\textquoteleft}pure{\textquoteright} mixture of two novel isoxazolidinone-containing natural products from two new fungal strains. They have the partial structure of secalonic acid and show very good antifungal activity in mammals and plants and also synergism with other active ingredients. Objective: To analyze the activity of the isoxazolidinone-containing compounds in the present patent. Methods: To review the discovery and development of antifungal compounds in general and secalonic acid related compounds in particular. Conclusion: The research of Parish and collaborators at Merck and Co. has isolated novel antifungal compounds with a new mode of action. These molecules may be considered potential antifungal leads for further clinical study.
}, keywords = {Antifungal agents, CaFT, isoxazolidinone, parnafungins, secalonic acids}, issn = {1354-3776}, doi = {10.1517/13543770903338768}, author = {Sudhir, Pore Vandana and Ranan, Deshpande Sunita and Ganpat, Aher Nilkanth} } @article {43380, title = {Application of nanotechnology for detection and decontamination of organophosphorus pesticides and warfare agents}, journal = {Nanotrends}, volume = {8}, year = {2010}, month = {JUN}, pages = {1-17}, author = {Nigam, Preeti} } @article { ISI:000285864600001, title = {Applications of zeolites in industrial and other purposes}, journal = {Research Journal of Chemistry and Environment}, volume = {14}, number = {4}, year = {2010}, month = {DEC}, pages = {3}, publisher = {DR JYOTI GARG}, address = {SECTOR A/80 SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE MP, 452 010, INDIA}, issn = {0972-0626}, author = {Chumbhale, Vilas R.} } @article { ISI:000280021000011, title = {Artificially designed membranes using phosphonated multiwall carbon nanotube-polybenzimidazole composites for polymer electrolyte fuel cells}, journal = {Journal of Physical Chemistry Letters}, volume = {1}, number = {14}, year = {2010}, month = {JUL}, pages = {2109-2113}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The ability of phosphonated carbon nanotubes to offer an unprecedented approach to tune both proton-conductivity and mechanical stability of hybrid polymer electrolytes based on the polybenzimidazole membrane is demonstrated for fuel cell applications. The covalent attachment between the amino group of the 2-aminoethylphosphonic acid precursor and CNTs has been confirmed by NMR and IR experiments, while EDAX analysis indicates that one out of every 20 carbon atoms is in the CNT is functionalized. Proton conductivity of the composite membrane shows a remarkable 50\% improvement in performance while a maximum power density of 780 and 600 mW cm(-2) is obtained for the composite and pristine membranes, respectively. Finally, the ultimate strength determined for the composite and pristine membranes is 100 and 65 MPa, respectively, demonstrating the superiority of the composite. This study opens up a new strategy to systematically tune the properties of polymer electrolytes for special applications by using appropriately functionalized CNTS.
}, issn = {1948-7185}, doi = {10.1021/jz1007005}, author = {Kannan, Ramaiyan and Aher, Pradnya P. and Palaniselvam, Thangavelu and Kurungot, Sreekumar and Kharul, Ulhas K. and Pillai, Vijayamohanan K.} } @article { ISI:000285081400018, title = {Assessment of Pongamia pinnata (L.) - a biodiesel producing tree species using ISSR markers}, journal = {Current Science}, volume = {99}, number = {10}, year = {2010}, month = {NOV}, pages = {1327-1329}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Sujatha, K. and Rajwade, A. V. and Gupta, V. S. and Hazra, Sulekha} } @inbook { ISI:000275173500011, title = {Bacterial biosurfactants, and their role in microbial enhanced oil recovery (MEOR)}, booktitle = {Biosurfactants}, series = {Advances in Experimental Medicine and Biology}, volume = {672}, year = {2010}, pages = {146-157}, publisher = {Springer-Verlag Berlin}, organization = {Springer-Verlag Berlin}, address = {Heidelberger Platz 3, D-14197 Berlin, Germany}, abstract = {
Surfactants are chemically synthesized surface-active compounds widely used for large number of applications in various industries. During last few years there is increase demand of biological surface-active compounds or biosurfactants which are produced by large number of microorganisms as they exert biodegradability, low toxicity and widespread application compared to chemical surfactants. They can be used as emulsifiers, de-emulsifiers, wetting agents, spreading agents, foaming agents, functional food ingredients and detergents. Various experiments at laboratory scale on sand-pack columns and field trials have successfully indicated effectiveness of biosurfactants in microbial enhanced oil recovery (MEOR).
}, isbn = {978-1-4419-5978-2}, issn = {0065-2598}, author = {Khire, Jayant Malhar}, editor = {Sen, R} } @article {42680, title = {Bacterial synthesis of phtocatalytically active and biocompatible TiO2 and ZnO nanoparticles}, journal = {International Journal of Green Nanotechnology: Physics and Chemistry}, volume = {2}, year = {2010}, month = {DEC}, pages = {80-99}, abstract = {
TiO2 and ZnO nanoparticles are well known for their photocatalytic and ultraviolet (UV)-absorbent properties and have successfully entered into the market as consumer products. Large volume production of these nanoparticles by industries require environmentally friendly processes of synthesis. In this article, we show that when challenged with an appropriate precursor, the bacterium Actinobacter spp. can lead to the extracellular synthesis of ZnO and TiO2 nanoparticles. The biological way of synthesizing these materials probably leads to the in situ doping of elements like C, F, and N into their crystal lattices, which is evidenced by a red shift in the absorption edge. Because the doping is expected to affect the photocatalytic activity of these materials under different light conditions, such investigations have also been undertaken here. Further, the biocompatibility of these nanomaterials (cytotoxicity and genotoxicity) has also been investigated in detail.
}, keywords = {Biosynthesis, genotoxicity, Nanoparticles, Nanotoxicity, Photocatalysis}, doi = {10.1080/19430876.2010.532459}, author = {Singh, Sanjay and Britto, Virginia D. and Bharde, Atul A. and Sastry, Murali and Dhawan, Alok and Bhagavatula L. V. Prasad} } @article { ISI:000284499400011, title = {Base dependent pyrrolidine ring pucker in aep-PNA monomers NMR and PSEUROT analysis}, journal = {Tetrahedron}, volume = {66}, number = {47}, year = {2010}, month = {NOV}, pages = {9165-9170}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The aep-PNA is a chiral and cyclic PNA analogue which has a stronger and base dependent binding affinity with complementary DNA To understand the base dependent properties at monomer level the structural studies of aep-PNA-(T/C/A) monomers have been carried out focussing on the conformational analysis of pyrrolidine ring pucker in aep-PNA by H-1 NMR and the coupling constant data fitted into PSEUROT software The results indicate that the type of pyrrolidine pucker depends on the electronic nature of substituent implying the effect of pyrimidine or purine substituents in determining the ring pucker in monomers This may consequently influence the aep-PNA oligomer conformation Since pyrrolidine nucleic acids have emerged as an important class of PNA analogues present results may have importance for their future development (C) 2010 Elsevier Ltd All rights reserved
}, keywords = {A T G and C, aep PNA, Conformational analysis, DNA RNA and PNA, Pyrrolidine ring}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.09.082}, author = {Sharma, Nagendra K. and Ganesh, Krishna N.} } @article {42799, title = {Beaded cross linked polymers containing tert-amino functional group moities}, number = {2537/DEL}, year = {2010}, month = {DEC}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Tayal, Rajivkumar and Qureshi, Moham} } @article { ISI:000280253200002, title = {Beyond irreverence}, journal = {Current Science}, volume = {99}, number = {1}, year = {2010}, month = {JUL}, pages = {7}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Mashelkar, Raghunath Anant} } @article { ISI:000277581100043, title = {Biocatalytic approach for the utilization of hemicellulose for ethanol production from agricultural residue using thermostable xylanase and thermotolerant yeast}, journal = {Bioresource Technology}, volume = {101}, number = {14}, year = {2010}, month = {JUL}, pages = {5366-5373}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A hydrolysis of 62\% and 50\% for OSX (Oat spelt xylan) and WBH (Wheat bran hemicellulose) were obtained in 36 h and 48 h using Accellerase(TM) 1000 at 50 degrees C wherein thermostable xylanase from alkalothermophilic Thermomonospora sp. yielded 67\% (OSX) in 3 h and 58\% (WBH) in 24 h at 60 degrees C, favouring a reduction in process time and enzyme dosage. The rate of hydrolysis with thermostable xylanase was increased by 20\% with the addition of nonionic surfactant tween 80 or biosurfactant sophorolipid. The simultaneous saccharification and fermentation (SSF) of OSX and WBH using thermostable xylanase and D. hansenii in batch cultures produced 9.1 g/L and 9.5 g/L of ethanol, respectively and had a shorter overall process time than the separate hydrolysis and fermentation (SHF). The immobilized yeast cells in Ca-alginate matrix produced ethanol with a yield of 0.46 g/g from hemicellulosic hydrolysates and were reused six times with 100\% fermentation efficiency. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Biosurfactant, Ethanol, Hemicellulose, Thermostable xylanase, Thermotolerant yeast}, issn = {0960-8524}, doi = {10.1016/j.biortech.2010.01.150}, author = {Menon, Vishnu and Prakash, Gyan and Prabhune, Asmita and Rao, Mala} } @article { ISI:000283603000012, title = {Bio-inspired catalyst compositions for enhanced oxygen reduction using nanostructured Pt electrocatalysts in polymer electrolyte fuel cells}, journal = {Journal of Materials Chemistry}, volume = {20}, number = {43}, year = {2010}, month = {SEP}, pages = {9651-9657}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Composites of Nafion with a class of bio-molecules viz., plant hormones, are explored as potential polymer electrolytes for improving the proton transport inside the catalyst layer of a H(2)/O(2) fuel cell. Specifically, four nitrogenous plant hormones, two each from the class of auxins and cytokinins have been investigated, following preliminary characterization of the composite dispersions and membranes. Interestingly, the use of indole-3-acetic acid (an auxin) in the catalyst layer reveals a 30\% enhancement in Pt catalyst utilization and improved fuel cell performance by 150 mW cm(-2). The effect of these bio-molecules on the kinetic and mass transport parameters has been analyzed systematically using a combination of electrochemical and spectroscopic techniques.
}, issn = {0959-9428}, doi = {10.1039/c0jm01774d}, author = {Parthasarathy, Meera and Kannan, Ramaiyan and Sreekumar, Kurungot and Pillai, Vijayamohanan K.} } @article { ISI:000275161600003, title = {Biotechnology of endophytic fungi: inorganic nanomaterials and drugs}, journal = {Medicinal Chemistry Research}, volume = {19}, number = {1}, year = {2010}, month = {FEB}, pages = {S3}, publisher = {BIRKHAUSER BOSTON INC}, address = {675 MASSACHUSETTS AVE, CAMBRIDGE, MA 02139 USA}, issn = {1054-2523}, author = {Ahmad, Absar} } @article { ISI:000275756700018, title = {Bromine-induced facile synthesis of butenolides and spirobutenolides from sterically congested tetrasubstituted dialkyl alkylidene succinates}, journal = {Synthesis-Stuttgart}, number = {7}, year = {2010}, month = {APR}, pages = {1188-1194}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Starting from sterically congested tetrasubstituted dialkyl alkylidene succinates, facile general approach to several dialkyl substituted butenolides and spirobutenolides with the generation of quaternary carbon center has been demonstrated via bromine-induced dealkylative regioselective intramolecular cyclization and dehydrobromination pathway. The mechanistic aspects involved in the formation of butenolides have been also described in brief.
}, keywords = {alkylidene succinates, bromine, butenolides, intramolecular cyclizations, spirobutenolides}, issn = {0039-7881}, doi = {10.1055/s-0029-1219233}, author = {Patel, Ramesh M. and N. P. Argade} } @article { ISI:000282840600020, title = {Calculation of dipole transition matrix elements and expectation values by vibrational coupled cluster method}, journal = {Journal of Chemical Theory and Computation}, volume = {6}, number = {10}, year = {2010}, month = {OCT}, pages = {3198-3204}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An effective operator approach based on the coupled cluster method is described and applied to calculate vibrational expectation values and absolute transition matrix elements. Coupled cluster linear response theory (CCLRT) is used to calculate excited states. The convergence pattern of these properties with the rank of the excitation operator is studied. The method is applied to a water molecule. Arponen-type double similarity transformation in extended coupled cluster (ECCM) framework is also used to generate an effective operator, and the convergence pattern of these properties is compared to the normal coupled cluster (NCCM) approach. It is found that the coupled cluster method provides an accurate description of these quantities for low lying vibrational excited states. The ECCM provides a significant improvement for the calculation of the transition matrix elements.
}, issn = {1549-9618}, doi = {10.1021/ct1003669}, author = {Banik, Subrata and Pal, Sourav and Prasad, M. Durga} } @article { ISI:000275708600041, title = {Carbon dissolution and segregation in Pd(110)}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {11}, year = {2010}, month = {MAR}, pages = {5060-5067}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The bulk-surface diffusion of carbon in Pd(110) has been investigated using Molecular beams to examine the clean-off of carbon with gas-phase oxygen. The dominant product of the reaction above 600 K is CO CO, is only produced at much lower temperatures where the lifetime of adsorbed CO is significant. The segregation from the bulk Only Occurs at a measurable rate at \>750 K, while loss of carbon into the bulk call occur at much lower temperatures. The reaction of carbon at high temperatures shows two regimes: (i) a non steady-state evolution of CO due to the clean-off of surface carbon already present on the surface, followed by (ii) a near steady-state reaction due to the continuous diffusion of carbon to the surface.
}, issn = {1932-7447}, doi = {10.1021/jp9108046}, author = {Bowker, Michael and Counsell, Jonathan and El-Abiary, Kareem and Gilbert, Lee and Morgan, Chris and Nagarajan, Sankaranarayanan and Gopinath, Chinnakonda S.} } @article { ISI:000281161700013, title = {Catalytic asymmetric transfer hydrogenation of ketones using [Ru(p-cymene)Cl-2](2) with chiral amino alcohol ligands}, journal = {Catalysis Letters}, volume = {138}, number = {3-4}, year = {2010}, month = {SEP}, pages = {231-238}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Catalytic asymmetric transfer hydrogenation of aromatic alkyl ketones has been investigated using [Ru(p-cymene)Cl-2](2) and new derivatives of beta-amino alcohols synthesized from (S)-(-)-lactic acid and mandelic acid as ligands. Chiral secondary alcohols were obtained with good to excellent conversion (60-90\%) and moderate to good enantioselectivities (40-86\%). Asymmetric transfer hydrogenation of ketones has been investigated using [Ru(p-cymene)Cl-2](2) and beta-amino alcohols synthesized from (S)-(-)-lactic acid and Mandelic acid as ligands. Chiral secondary alcohols were obtained with good to excellent conversion (60-90\%) and moderate to good enantioselectivities (40-86\%).
}, keywords = {Amino alcohol ligand, Asymmetric transfer hydrogenation, Ketones, Ru catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-010-0408-y}, author = {Deshpande, Sudhindra H. and Kelkar, Ashutosh A. and Gonnade, Rajesh G. and Shingote, Savita K. and Chaudhari, Raghunath V.} } @article { ISI:000280708400025, title = {CDASE-A reliable scheme to explain the reactivity sequence between Diels-Alder pairs}, journal = {Physical Chemistry Chemical Physics}, volume = {12}, number = {32}, year = {2010}, month = {JUL}, pages = {9328-9338}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The reliability of the Comprehensive Decomposition Analysis of Stabilization Energy (CDASE) scheme, proposed recently (Phys. Chem. Chem. Phys., 2009, 11, 8306), has been demonstrated in the present study. Reactivity sequence among more than 100 pairs, taking part in Diels-Alder (DA) reaction, is successfully generated by this scheme. The diene series consisted mainly of cis-1,3-butadiene and different substituted butadienes whereas dienophiles are mainly ethylene and its different substitutions. Both the positive energy component (i.e., the energy parameter defined as {\textquoteleft}internal assistance{\textquoteright}) and the negative energy component could generate the expected reactivity trend among the chosen DA pairs, which is also supported by the global electrophilicities of dienes and dienophiles and the corresponding charge-transfer values (Delta N). The numerical values of these components are capable of predicting even the {\textquoteleft}normal electron demand{\textquoteright} (NED) and {\textquoteleft}inverse electron demand{\textquoteright} (IED) nature of the corresponding DA reaction. The method is also capable of reproducing the lower reactivity of acetylene as dienophile when compared to that of ethylene. The reason for the success of CDASE-scheme in explaining intermolecular reactivity sequence is also analysed.
}, issn = {1463-9076}, doi = {10.1039/b925441b}, author = {Saha, Soumen and Roy, Ram Kinkar and Pal, Sourav} } @conference { ISI:000279938400012, title = {Chemical shielding of closed-shell molecules using extended coupled-cluster theory}, booktitle = {International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives}, series = {Astrophysics and Space Science Proceedings}, year = {2010}, note = {International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives, Indian Inst Astrophys, Kodaikanal Observatory, Bangalore, INDIA, JAN 28-31, 2009}, month = {MAR}, pages = {111-121}, publisher = {Springer}, organization = {Springer}, address = {233 Spring Street, New York, NY 10013, United States}, abstract = {
In this paper we report calculation of the nuclear magnetic shielding constant using extended coupled cluster response approach. We present the results for the HF, BH, CO and N(2) molecules. These results show importance of correlation corrections for the shielding constant.
}, isbn = {978-3-642-10321-6}, issn = {1570-6591}, doi = {10.1007/978-3-642-10322-3_12}, author = {Ravichandran, Lalitha and Joshi, Sayali and Vaval, Nayana}, editor = {Chaudhuri, R. K. and Mekkaden, M. V. and Raveendran, A. V. and Narayanan, A. S.} } @article { ISI:000277274000042, title = {Chemoselective coupling reactions of 5,7-dimethoxyphthalide with the remotely functionalized alkyl iodides: facile racemic synthesis of helicobacter pylori antibiotics}, journal = {Journal of Organic Chemistry}, volume = {75}, number = {9}, year = {2010}, month = {MAY}, pages = {3121-3124}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Highly chemoselective coupling reactions of 5,7-dimethoxyphthalide carbanion with the remotely functionalized long chain alkyl iodides have been demonstrated to accomplish the concise and efficient synthesis of Helicobacter pylori antibiotics, the CJ-molecules, and sporotricale methyl ether.
}, issn = {0022-3263}, doi = {10.1021/jo100168f}, author = {Singh, Mandeep and N. P. Argade} } @article { ISI:000283589900009, title = {Chemoselective hydrogenation of cinnamaldehyde over Pd/CeO2-ZrO2 catalysts}, journal = {Catalysis Letters}, volume = {140}, number = {1-2}, year = {2010}, month = {NOV}, pages = {55-64}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Selective hydrogenation of cinnamaldehyde over Pd (2 wt\%) supported on CeO2, ZrO2 and CeO2-ZrO2 catalysts is reported for the first time. In general, the olefinic (C=C) group of cinnamaldehyde is preferentially hydrogenated compared to the carbonyl (C=O) group. This selectivity preference could, however, be altered or reversed by adding alkali additives to the catalyst. The influence of additive on the structure and redox properties of the active sites and correlation of that with selective hydrogenation activity is investigated.
}, keywords = {alpha, beta-Unsaturated aldehyde, Ceria-zirconia, Cinnamaldehyde, Hydrogenation, palladium catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-010-0423-z}, author = {Bhogeswararao, Seemala and Srinivas, D.} } @article {42742, title = {Chronic inflammatory responses to microgel-based implant coatings}, journal = {Journal of Biomedical Materials Research}, volume = {94A}, year = {2010}, month = {JUL}, pages = {252-258}, doi = {10.1002/jbm.a.32669}, author = {Bridges, Amanda W. and Whitmire, Rachel E. and Singh, Neetu and Templeman, Kellie L. and Babensee, Julia E. and Lyon, L. Andrew and Garcia, Andres J.} } @article { ISI:000278307300010, title = {Citrate-capped quantum dots of CdSe for the selective photometric detection of silver ions in aqueous solutions}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {60-65}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple strategy for the synthesis of water soluble, luminescent, citrate-capped CdSe quantum dots (Q-CdSe) and their applications to selective detection of silver ions are described. The steady state photoluminescence (PL) spectra show single, narrow emission band at ca. 554 nm without any contribution from the trap states. The effect of various ions including physiologically important metal ions (viz. K(+), Ca(2+), Fe(3+), Zn(2+), Mg(2+), Mn(2+), Cu(2+), Ag(+), Pb(2+) and Cd(2+)), on the PL intensity of citrate-capped Q-CdSe has been studied. Among these, selective luminescence quenching with Ag(+) ion was found to be predominant. Under the optimum conditions, the response was linear between 1.7 and 18 mu M. The quenching constant K(SV) was found to be ca. 3.4 x 10(5) M(-1). The mechanism of photoluminescence quenching of Q-CdSe by metal ions (Ag(+)) is also discussed. Based on these studies, the potential use of Q-CdSe as a luminescent probe for the selective detection of silver ion has been proposed. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Ag(+) ions, Luminescence quenching, Luminescent probe, Q-CdSe, Tri-sodium citrate}, issn = {0921-5107}, doi = {10.1016/j.mseb.2009.10.033}, author = {Ingole, Pravin P. and Rajiv M. Abhyankar and Bhagavatula L. V. Prasad and Haram, Santosh K.} } @article { ISI:000283495200040, title = {Clicking molecular hooks on silica nanoparticles to immobilize catalytically important metal complexes: the case of gold catalyst immobilization}, journal = {New Journal of Chemistry}, volume = {34}, number = {11}, year = {2010}, month = {AUG}, pages = {2662-2670}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Gold mediated reactions have emerged as one of the best choices for affecting a variety of chemical transformations with a wide range of functional group tolerance. Application of such transformations to industrial processes necessitates immobilization of the Au ions into a matrix for easy separation of the catalyst after reaction. We report the synthesis and characterization of silica nanoparticles in which Au(III) has been immobilized through a 1,2,3-triazole linkage using an alkynalated picolinic acid exploiting {\textquoteleft}{\textquoteleft}click chemistry{\textquoteright}{\textquoteright}. The Au( III) immobilized silica nanoparticle has been thoroughly characterized using FT-IR, C-13 CP MAS NMR and XPS. The utility of these particles as an easily separable catalyst for the Hashmi phenol synthesis is also reported.
}, issn = {1144-0546}, doi = {10.1039/c0nj00292e}, author = {Ganai, Anal Kumar and Bhardwaj, Rima and Hotha, Srinivas and Sen Gupta, Sayam and Bhagavatula L. V. Prasad} } @article { ISI:000281868200016, title = {Cobalt nanoparticles doped emaraldine salt of polyaniline: a promising room temperature magnetic semiconductor}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {322}, number = {24}, year = {2010}, month = {DEC}, pages = {3926-3931}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Incorporation of magnetic nanoparticles in polymers with organic functional groups working as semiconducting substrate is of immense interest in the field of dilute magnetic semiconductors (DMS) and spintronics. In this article we report on synthesis and evaluation of dilutely doped (0-10 wt\%) cobalt nanoparticles in emaraldine salt (ES) of polyaniline in the presence of dodecyl benzene sulfonic acid (DBSA) and p-toluene sulfonic acid (p-TSA) using a sonochemical-assisted-reduction approach as a possible DMS candidate. The X-ray diffraction pattern and high resolution transmission electron microscopy (HRTEM) image show the ES to be polycrystalline, in which 10 nm sized Co nanoparticles get embedded in its FCC structural form. From Fourier transform infrared (FT-IR) and UV-visible (UV-vis) spectroscopy studies, it is predicted that cobalt particles get electrostatically bound to the specific SO(3)(-) ion sites of ES, thereby modifying torsional degrees of freedom of the system. The applied field dependent magnetization study shows that the sample exhibits hysteresis loop with a minimal doping of 3 wt\% of Co nanoparticles and increases with the amount of Co nanoparticles in ES due to dipolar interaction. The electron transport data show that with increase in Co wt\% there is a gradual shift from ohmic to non-ohmic response to the sample bias, accompanied by opening of electrical hysteresis and an increased resistance. The non-linear response of higher doped systems has been attributed to the combination of direct and Fowler-Nordheim tunneling phenomena in these systems. Persistence of optical and transport properties of the polymer, with an introduction of magnetic moment in the system, envisages the system to be a fine magnetic semiconductor. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Cobalt nanoparticles, Magnetic semiconductor, polyaniline}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2010.08.022}, author = {Hatamie, Shadie and Kulkarni, M. V. and Kulkarni, S. D. and Ningthoujam, R. S. and Vatsa, R. K. and Kale, Sangeeta N.} } @article { ISI:000279322700048, title = {Co(III)(salen)-catalyzed HKR of two stereocentered alkoxy- and azido epoxides: a concise enantioselective synthesis of (S,S)-reboxetine and (+)-epi-cytoxazone}, journal = {Chemical Communications}, volume = {46}, number = {27}, year = {2010}, month = {JUN}, pages = {5012-5014}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The HKR of racemic syn- or anti- alkoxy- and azido epoxides catalyzed by Co(salen) complex affords a practical access to a series of enantioenriched syn- or anti- alkoxy- and azido epoxides and the corresponding 1,2-diols. This strategy has been successfully employed in the concise, enantioselective synthesis of bioactive molecules such as (S, S)-reboxetine and (+)-epi-cytoxazone.
}, issn = {1359-7345}, doi = {10.1039/c0cc00650e}, author = {Reddy, R. Santhosh and Chouthaiwale, Pandurang V. and Suryavanshi, Gurunath and Chavan, Vilas B. and Sudalai, Arumugam} } @article { ISI:000282188800021, title = {Colossal thermoelectric power in Gd-Sr manganites}, journal = {EPL}, volume = {91}, number = {1}, year = {2010}, month = {JUL}, pages = {17008}, publisher = {EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY}, address = {6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE}, abstract = {
Manganites belonging to the series Gd(1-x)Sr(x)MnO(3) (x=0.3, 0.4 and 0.5) were prepared by wet solid-state reaction and their thermoelectric power was evaluated. Thermoelectric power measurements revealed a peak value at similar to 40 K. All the samples exhibited a colossal thermopower at similar to 40K and in that Gd(0.5)Sr(0.5)MnO(3) exhibited a maximum value of similar to 35 V/K, which is the largest reported for these class of materials at this temperature. Temperature-dependent magnetisation measurements showed that the samples exhibit a phase transition from paramagnetic to spin-glass-like state at these temperatures. Plausible mechanisms responsible for the observed colossal thermoelectric power in Gd-Sr manganites are discussed. Copyright (C) EPLA, 2010
}, issn = {0295-5075}, doi = {10.1209/0295-5075/91/17008}, author = {Sagar, S. and Ganesan, V. and Joy, Pattayil Alias and Thomas, Senoy and Liebig, A. and Albrecht, M. and Anantharaman, Maliemadom R.} } @article { ISI:000284515800005, title = {Combined experimental and density functional theory study on the Pd-mediated cycloisomerization of o-alkynylnitrobenzenes - synthesis of isatogens and their evaluation as modulators of ROS-mediated cell death}, journal = {European Journal of Organic Chemistry}, number = {31}, year = {2010}, month = {NOV}, pages = {5955-5966}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Highly selective cycloisomerization of o-alkynylnitrobenzenes, leading to isatogens, has been achieved by employment of a Pd-II complex. This reaction is very general and functional-group-tolerant. The possible mechanism of this reaction was investigated with the help of DFT calculations. Three possible pathways - namely, the addition of the nitro group either in (i) 5-exo-dig or (ii) 6-endo-dig mode and (iii) halopalladation - and subsequent intramolecular events have been considered and studied in detail. These investigations revealed that pathway (i) is the favored route to isatogen formation. A preliminary screening of the available isatogens reveals the 2-alkylisatogens to be novel ROS scavengers capable of inhibiting cellular necroptosis.
}, keywords = {Anthranil, cyclization, Density functional calculations, isatogens, Nitro-alkyne cycloisomerization, Palladium}, issn = {1434-193X}, doi = {10.1002/ejoc.201000769}, author = {Ramana, Chepuri V. and Patel, Pitambar and Vanka, Kumar and Miao, Benchun and Degterev, Alexei} } @article { ISI:000274355800017, title = {Comparison of the auxiliary density perturbation theory and the noniterative approximation to the coupled perturbed kohn-sham method: case study of the polarizabilities of disubstituted azoarene molecules}, journal = {Journal of Physical Chemistry A}, volume = {114}, number = {6}, year = {2010}, month = {FEB}, pages = {2357-2364}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We present a theoretical study of the polarizabilities of free and disubstituted azoarenes employing auxiliary density perturbation theory (ADPT) and the noniterative approximation to the coupled perturbed Kohn-Sham (NIA-CPKS) method. Both methods are noniterative but use different approaches to obtain the perturbed density matrix. NIA-CPKS is different froth the conventional CPKS approach in that the perturbed Kohn-Sham matrix is obtained numerically, thereby yielding a single-step solution to CPKS. ADPT is an alternative approach to the analytical CPKS method in the framework of the auxiliary density functional theory. It is shown that the polarizabilities obtained using these two methods are in good agreement with each other. Comparisons are made for disubstituted azoarenes, which give support to the push-pull mechanism. Both methods reproduce the same trend for polarizabilities because of the substitution pattern of the azoarene moiety. Our results are consistent with the standard organic chemistry {\textquoteleft}{\textquoteleft}activating/deactivating{\textquoteright}{\textquoteright} sequence. We present the polarizabilities of the above molecules calculated with three different exchange-correlation functionals and two different auxiliary function sets. The computational advantages of both methods are also discussed.
}, issn = {1089-5639}, doi = {10.1021/jp909966f}, author = {Shedge, Sapana V. and Carmona-Espindola, Javier and Pal, Sourav and Koster, Andreas M.} } @article { ISI:000282106400002, title = {Concise synthesis of (2S,3S,4S)-2-(Hydroxymethyl)pyrrolidine-3,4-diol (LAB1)}, journal = {Synthesis-Stuttgart}, number = {18}, year = {2010}, month = {SEP}, pages = {3063-3066}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
The synthesis of (2S,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol (LAB1) from Garner{\textquoteright}s aldehyde is described using the Sharpless asymmetric dihydroxylation as the key step.
}, keywords = {alkaloid, azasugars, diastereoselectivity, Garner{\textquoteright}s aldehyde, pyrrolidine, Wittig reaction}, issn = {0039-7881}, doi = {10.1055/s-0030-1258185}, author = {Upadhyay, Puspesh K. and Kumar, Pradeep} } @article { ISI:000280597500004, title = {Conformational and functional transitions in class II alpha-mannosidase from aspergillus fischeri}, journal = {Journal of Fluorescence}, volume = {20}, number = {4}, year = {2010}, month = {JUL}, pages = {827-836}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The conformational transitions in an oligomeric and high molecular weight class II alpha-mannosidase from Aspergillus fischeri were examined using fluorescence and CD spectroscopy under chemical, thermal and acid denaturing conditions. The enzyme lost the activity first and then the overall folded conformation and secondary structure. The midpoint values of GdnHCl mediated changes measured by inactivation; fluorescence and negative ellipticity were 0.48 M, 1.5 M and 1.9 M, respectively. The protein almost completely unfolded in 4.0 M GdnHCl but not at 90 A degrees C. The inactivation and unfolding were irreversible. At pH 2.0, the protein exhibited molten-globule like intermediate with rearranged secondary and tertiary structures and exposed hydrophobic amino acids on the surface. This species showed increased accessibility of Trp to the quenchers and got denatured with GdnHCl in a different manner. The insoluble aggregates of a thermally denatured protein could be detected only in the presence of 0.25-0.75 M GdnHCl.
}, keywords = {Aggregation, alpha-Mannosidase, ANS binding, Circular dichroism, fluorescence, GdnHCl, Hydrobicity, Thermal denaturation}, issn = {1053-0509}, doi = {10.1007/s10895-010-0625-1}, author = {Shashidhara, K. S. and Gaikwad, Sushama M.} } @article { ISI:000281980600018, title = {Conformational polymorphism in racemic 2,4-Di-o-Benzoyl-6-o-Tosyl myo-Inositol 1,3,5-Orthoacetate}, journal = {Journal of Structural Chemistry}, volume = {51}, number = {4}, year = {2010}, month = {AUG}, pages = {725-730}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The title compound, C(29)H(26)O(10)S, yields two conformational polymorphs concomitantly from dichloromethane-methanol mixture; the major polymorph grows as plates (Form I, monoclinic, P2(1)/n) and the minor polymorph grows as needles (Form II, triclinic, P-1). The two forms differ mainly in orientation of the tosyl group. In Form I, sulfonyl oxygen of the tosyl group makes intermolecular C -HaEuro broken vertical bar O interactions, whereas the same group in Form II is involved in an intramolecular short dipolar S=OaEuro broken vertical bar C=O (sulfonyl-carbonyl) contact. The molecular organization and the influence of various weak non-covalent interactions that stabilize these conformers in the crystal lattices are discussed.
}, keywords = {Conformation, crystal structure, dipolar interactions, Inositol, non-covalent interactions, polymorphism, sulfonyl-carbonyl contact}, issn = {0022-4766}, doi = {10.1007/s10947-010-0107-y}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000276973200011, title = {Continuous flow synthesis of functionalized silver nanoparticles using bifunctional biosurfactants}, journal = {Green Chemistry}, volume = {12}, number = {4}, year = {2010}, month = {APR}, pages = {609-615}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Silver nanoparticles were synthesized by continuous flow methods using biosurfactants, namely, oleic acid sophorolipid (OASL) and stearic acid sophorolipid (SASL). Both the sophorolipids can act as reducing and capping agents. The effect of temperature on the completion of nanoparticle formation and the particle growth dynamics (size) were studied in batch mode. While the completion of the reaction using oleic acid sophorolipid needed 20 min, only 5 min were required with the stearic acid sophorolipid as capping and reducing agent. Hence all the continuous flow experiments were carried out using the stearic acid sophorolipid. The continuous flow synthesis of silver nanoparticles was carried out in a stainless steel helical coil and also in a spiral polymeric minichannel reactor. The DLS results show that higher flow rate leads to the formation of bigger and polydisperse particles because of incomplete reactions. Higher residence time allowed the completion of reaction leading to spherical, small and monodisperse particles.
}, issn = {1463-9262}, doi = {10.1039/b919550e}, author = {Kumar, D. V. Ravi and Kasture, Manasi and Prabhune, Asmita and Ramana, C. V. and Bhagavatula L. V. Prasad and Kulkarni, A. A.} } @article { ISI:000276497600005, title = {Continuous phenol biodegradation in a simple packed bed bioreactor of calcium alginate-immobilized Candida tropicalis (NCIM 3556)}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {26}, number = {5}, year = {2010}, month = {MAY}, pages = {805-809}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Phenol biodegradation in a continuous system of immobilized Candida tropicalis NCIM 3556 was studied. The bioreactor was simple, it had a feed inlet from the bottom and the effluent outlet from top, no supplementary oxygen was supplied, the reactor was operated continuously for 116 days. Initially the column was run continuously with a feed concentration of 2 g l(-1) for 42 days whence a degradation of \> 97\% was achieved. The feed concentration was then increased to 3 g l(-1), for which a similar to 80\% biodegradation was sustained for 90 days after which there was a steady decrease in the performance. When the phenol degradation was reduced to similar to 50\% in 116 days, the reactor was stopped. The efficiency of free cells recycled every 24 h and immobilized cells were compared; it was estimated that repeated reuse of free cells in batch mode gave an overall efficiency of 0.102 g phenol degradation g(-1) cell wet weight in 12 days. In contrast, the immobilized system of the same biomass had a longer working lifetime of similar to 4 months indicating an efficiency of 3.72 g phenol g(-1) cell wet wt.
}, keywords = {Biodegradation, Ca alginate, Candida tropicalis, Immobilization, phenol}, issn = {0959-3993}, doi = {10.1007/s11274-009-0236-7}, author = {Varma, R. J. and Gaikwad, B. G.} } @article { ISI:000273404500044, title = {Contrasting thermosolvatochromic trends in pyridinium-, pyrrolidinium-, and phosphonium-based ionic liquids}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {1}, year = {2010}, month = {JAN}, pages = {376-381}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Thermosolvatochromism has been studied in three series of ionic liquids, pyridinium-based 1-butylpyridinium, 1-hexylpyridinium, and 1-octylpyridinium with bis(trifluoromethylsulfonyl)imide [NTf2] and tetrafluoroborate [BF4] anions, pyrrolidinium-based ionic liquids 1-methyl-1-butylpyrrolidium, 1-methyl-1-hexylpyrrolidium, 1-methyl-1-octylpyrrolidium with bis(trifluoromethylsulfonyl) imide anion and phosphonium-based ionic liquids tetrabutylphosphonium with alanate and valinate anions. The effect of increase in alkyl chain length and temperature on normalized polarity E-T(N), Kanilet-Taft parameters, hydrogen bond donor ability (alpha), hydrogen bond acceptor ability (beta), and polarizability (pi*) was investigated in the temperature range of 298-353 K. Interestingly, the polarity decreases with temperature in the case of pyridinium- and pyrrolidinium-based ionic liquids, and it increases with temperature in the case of phosphonium-based ionic liquids.
}, issn = {1520-6106}, doi = {10.1021/jp908498p}, author = {Khupse, Nageshwar D. and Kumar, Anil} } @article { ISI:000283700200020, title = {Convenient approach to the synthesis of different types of schiff{\textquoteright}s bases and their metal complexes}, journal = {Chemistry Letters}, volume = {39}, number = {10}, year = {2010}, month = {OCT}, pages = {1078-1079}, publisher = {CHEMICAL SOC JAPAN}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
Various metal complexes derived from different Schiff bases are conveniently prepared using solvent-free condensation reactions in one-pot synthesis, resulting in significantly enhanced yields Initial calorimetric studies, and/or TGA of reaction mixtures, led to better optimization of reaction conditions The ligands like mines, hydrazones, semicarbazones, and nitrones are also synthesized by this method, thus this process is general and expedient
}, issn = {0366-7022}, doi = {10.1246/cl.2010.1078}, author = {Pradhan, Kiran and Selvaraj, Kaliaperumal and Nanda, Ashis K.} } @article { ISI:000285510500001, title = {Copolymerzation of L,L-lactide with epsilon-caprolactone by using novel zinc L-proline organometallic catalyst}, journal = {E-Polymers}, year = {2010}, month = {DEC}, pages = {139}, publisher = {EUROPEAN POLYMER FEDERATION}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {
Copolyesters based on L, L-lactide (LA) and e-caprolactone (CL) with different LA: epsilon-CL ratios were synthesized by ring opening polymerization using zinc (L-proline) as a catalyst. Ring opening polymerization results in random P(L, L-lactide-epsilon-caprolactone) copolymers of molecular weights between 9,800 to 30,000 and block copolymer up to 51,800 Da. H-1 NMR spectroscopy analysis was used for calculation of monomer incorporation in the copolymer. FT-IR spectra were used to differentiate between random and block copolymer using carbonyl region splitting. C-13 quantitative NMR spectroscopy analysis coupled with information from TGA and DSC allowed determination of the polymer structure. Copolymers (CP-1, CP-2 and CP-3) prepared by ROP are random copolymer (h \> 1), while CP-4 prepared by ROP (sequential addition of epsilon-caprolactone and L, L-lactide) has a multi block character (h \< 1). The LA number-average sequence length (L-LA) decreased from 14 to 5 for LA-CL 80:20 to 50:50 copolymers prepared by ROP. The copolymer (CP-4) prepared by sequential addition showed the number-average sequence length (L-LA) to be 83.0.
}, issn = {1618-7229}, author = {Pandey, Asutosh K.} } @article { ISI:000280799100039, title = {Copper-catalyzed intramolecular N-arylation of quinazolinones: facile convergent approach to (-)-circumdatins H and J}, journal = {Organic Letters}, volume = {12}, number = {16}, year = {2010}, month = {AUG}, pages = {3716-3719}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A copper-catalyzed intramolecular N-arylation of a quinazolinone nucleus that furnished the central benzodiazepine core unit has been demonstrated to accomplish an efficient convergent total synthesis of (-)-circumdatins H and J.
}, issn = {1523-7060}, doi = {10.1021/ol101597p}, author = {Kshirsagar, Umesh A. and N. P. Argade} } @article { ISI:000280605900013, title = {Coupling growth-factor engineering with nanotechnology for therapeutic angiogenesis}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {31}, year = {2010}, month = {AUG}, pages = {13608-13613}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {
Therapeutic angiogenesis is an emerging paradigm for the management of ischemic pathologies. Proangiogenic Therapy is limited, however, by the current inability to deliver angiogenic factors in a sustained manner at the site of pathology. In this study, we investigated a unique nonglycosylated active fragment of hepatocyte growth factor/scatter factor, 1K1, which acts as a potent angiogenic agent in vitro and in a zebrafish embryo and a murine matrigel implant model. Furthermore, we demonstrate that nanoformulating 1K1 for sustained release temporally alters downstream signaling through the mitogen activated protein kinase pathway, and amplifies the angiogenic outcome. Merging protein engineering and nanotechnology offers exciting possibilities for the treatment of ischemic disease, and furthermore allows the selective targeting of downstream signaling pathways, which translates into discrete phenotypes.
}, keywords = {cardiovascular disease, HGF/SF, ischemic disease, nanoparticle, protein engineering}, issn = {0027-8424}, doi = {10.1073/pnas.1006007107}, author = {Roy, Rituparna Sinha and Soni, Shivani and Harfouche, Rania and Vasudevan, Pooja R. and Holmes, Oliver and de Jonge, Hugo and Rowe, Arthur and Paraskar, Abhimanyu and Hentschel, Dirk M. and Chirgadze, Dimitri and Blundell, Tom L. and Gherardi, Ermanno and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article { ISI:000284052600021, title = {Covalently immobilized triphenylphosphine rhodium complex: synthesis, characterization, and application in catalytic olefin hydrogenation}, journal = {Chemcatchem}, volume = {2}, number = {11}, year = {2010}, month = {NOV}, pages = {1477-1482}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
A trimethoxysilane functionalized triphenylphosphine was coordinated to rhodium(I) and the resulting rhodium complex was covalently bound to a mesoporous SBA-15 support. The catalytic activity of this hybrid material was studied for the hydrogenation of 2-cyclohexen-1-one and compared with the corresponding homogeneous catalyst. According to the (31)P-MAS NMR data, the catalytically active species was stable against oxidation; no structural change could be detected after exposing it to air for more than two months. Transmission electron microscopy (TEM) measurements on the used catalyst confirmed that the rhodium species was also stable against reduction to the metal because the formation of rhodium nanoparticles during the catalysis could be excluded. The kinetic curves of the recycled system confirmed that this hybrid catalyst shows excellent activity, selectivity, stability, and reusability, and is truly heterogeneous in the hydrogenation reaction.
}, keywords = {alkenes, heterogeneous catalysis, Hydrogenation, mesoporous materials, Rhodium}, issn = {1867-3880}, doi = {10.1002/cctc.201000133}, author = {Wang, Lei and Jia, Mingjun and Shylesh, Sankaranarayanapillai and Philippi, Thomas and Seifert, Andreas and Ernst, Stefan and Singh, Anand Pal and Thiel, Werner R.} } @article { ISI:000277463600014, title = {Critical role of particle size and interfacial properties in the visible light induced splitting of water over the nanocrystallites of supported cadmium sulphide}, journal = {International Journal of Hydrogen Energy}, volume = {35}, number = {8}, year = {2010}, month = {APR}, pages = {3287-3296}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
CdS crystallites of varying size (1 to 5.0 nm) were successfully deposited on the surfaces of polyester and activated charcoal. The size and the texture of these crystallites depended on CdS loading and also on the substrate morphology. These highly dispersed photocatalysts displayed a pyramidal trend in activity for visible light induced splitting of water molecules, similar to that reported for the heterogeneous catalytic reactions over supported noble metals. Thus, the CdS particles of similar to 2.5 nm size gave rise to maximum rate of H(2) evolution as compared to the particles of either smaller or of larger size. The particles of \<1.5 nm diameter were of poor crystallinity and displayed a significant Q-size effect on the absorption edge. Our study provides direct evidence for the structure sensitivity of photocatalytic dissociation of water over supported semiconductor nanocrystallites, where the particle size and the interfacial microstructural defects played a vital role. (C) 2010 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved.
}, keywords = {CdS nanocrystallites, Interfacial defects, Photocatalysis, Structural sensitivity, water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2010.01.134}, author = {Deshpande, Aparna and Gupta, Narendra M.} } @article { ISI:000275769700022, title = {Crystal structure, NMR and theoretical investigations on 2-(o-hydroxy-anilino)-1,4-napthoquinone}, journal = {Journal of Molecular Structure}, volume = {966}, number = {1-3}, year = {2010}, month = {MAR}, pages = {144-151}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Crystal structure, (1)H NMR and cyclic voltammetric investigations of 2-(o-hydroxy-anilino)-1,4-napthoquinone (HAN), resulting from coupling of aminophenol with 2-hydroxy-1,4-napthoquinone, have been carried out. X-ray structure reveals that the HAN ligand crystallizes in orthorhombic space group Pca2(1) with Z = 4. forming a chain via inter-molecular O2 center dot center dot center dot H1A-O1 and C15-H15 center dot center dot center dot O3 interactions. Both (1)H NMR and cyclic voltammetry experiments suggest the titled ligand is associated and exists as dinner in d(6)-DMSO while the monomer has been predicted in CDCl(3) solution. Density functional calculations can be utilized to gauge the strength of hydrogen-bonded interactions from the (1)H chemical shifts in the NMR spectra. Self-consistent reaction field (SCRF) calculations further support the inferences drawn from cyclic voltammetry experiments. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {(1)H NMR, cyclic voltammetry, Density functional, hydrogen bonding, Napthoquinone}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.12.029}, author = {Feizi, Nourollah and Pinjari, Rahul V. and Gejji, Shridhar P. and Sayyed, Fareed B. and Gonnade, Rajesh G. and Rane, Sandhya Y.} } @article { ISI:000278165900028, title = {Crystallization and preliminary X-ray diffraction analysis of various enzyme-substrate complexes of isopropylmalate dehydrogenase from thermus thermophilus}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {66}, number = {6}, year = {2010}, month = {JUN}, pages = {738-743}, publisher = {WILEY-BLACKWELL PUBLISHING, INC}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
The Thermus thermophilus 3-isopropylmalate dehydrogenase (Tt-IPMDH) enzyme catalyses the penultimate step of the leucine-biosynthesis pathway. It converts (2R,3S)-3-isopropylmalate to (2S)-2-isopropyl-3-oxosuccinate in the presence of divalent Mg(2+) or Mn(2+) and with the help of NAD(+). In order to elucidate the detailed structural and functional mode of the enzymatic reaction, crystals of Tt-IPMDH were grown in the presence of various combinations of substrate and/or cofactors. Here, the crystallization, data collection and preliminary crystallographic analyses of six such complexes are reported.
}, issn = {1744-3091}, doi = {10.1107/S174430911001626X}, author = {Merli, Angelo and Manikandan, Karuppasamy and Graczer, Eva and Schuldt, Linda and Singh, Rajesh Kumar and Zavodszky, Peter and Vas, Maria and Weiss, Manfred S.} } @article { ISI:000273922200025, title = {Crystal-to-crystal thermal phase transition amongst dimorphs of hexa-O-p-toluoyl-myo-inositol conserving two-dimensional isostructurality}, journal = {Crystengcomm}, volume = {12}, number = {2}, year = {2010}, month = {SEP}, pages = {478-484}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Triclinic (P-1) crystals of hexa-O-p-toluoyl-myo-inositol obtained from common organic solvents exhibited single crystal-to-single crystal irreversible phase transition centered at similar to 250 degrees C. The transformation of these crystals to monoclinic P2(1)/n form was revealed using DSC and X-ray diffraction studies. The latter crystals could also be produced by melt crystallization. Crystal structure analysis revealed that the molecules in both forms are linked via bifurcated C-H center dot center dot center dot O interactions to make almost identical centrosymmetric dimers. The neighbouring dimers are bridged via C-H center dot center dot center dot O and aromatic pi center dot center dot center dot pi stacking interactions to create two-dimensional isostructural assemblies. The difference in the two crystal forms arises from linking of the centrosymmetric dimers along the third dimension; the dimers are centrosymmetrically bridged in the triclinic form, while they have n-glide relationship in the monoclinic form. Comparison of the dimorph structures further revealed that they are actually an excellent case of morphotropism since dimorphs are related by non crystallographic rotation and translation of their basic motif (centrosymmetric dimers) that transforms the triclinic (P-1) phase to a monoclinic (P2(1)/n) phase.
}, issn = {1466-8033}, doi = {10.1039/b910546h}, author = {Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000275090400021, title = {Cu:Al Nano catalyst for selective hydrogenolysis of glycerol to 1,2-propanediol}, journal = {Catalysis Letters}, volume = {135}, number = {1-2}, year = {2010}, month = {MAR}, pages = {141-147}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Non-chromium Cu:Al nano catalyst prepared by simultaneous co-precipitation and digestion method without any template or stabilizer, showed three times higher activity than the bulk Cu-Cr catalyst for hydrogenolysis of glycerol in both isopropanol and water solvents, with the selectivity to 1,2-Propanediol (1,2-PDO) as high as 91\% at 493 K and H(2) pressure of 7 MPa in 5 h. XRD pattern showed the presence of Cu(+) species in the activated Cu: Al nano catalyst. Although Cu(+) is catalytically inactive in glycerol hydrogenolysis reaction, the presence of Cu(+) helps to stabilize the particle size in a narrow range of 7-11 nm by inhibiting the sintering of copper particles under reaction conditions.
}, keywords = {1, 2-Propanediol, Cu:Al nano catalyst, Glycerol, Selective hydrogenolysis}, issn = {1011-372X}, doi = {10.1007/s10562-010-0276-5}, author = {Mane, Rasika B. and Hengne, Amol M. and Ghalwadkar, Ajay A. and Vijayanand, Subramanian and Mohite, Pravin H. and Potdar, Hari S. and Rode, Chandrashekhar V.} } @article { ISI:000281836300026, title = { [Cu]-Catalyzed S(N)AR reactions: direct amination of electron deficient aryl halides with sodium azide and the synthesis of arylthioethers under Cu(II)-ascorbate redox system}, journal = {Tetrahedron}, volume = {66}, number = {38}, year = {2010}, month = {SEP}, pages = {7642-7650}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A one pot [Cu]-promoted SNAr reaction of electron-deficient halobenzenes with sodium azide and the reduction of the intermediate aryl azides under the same Cu(II) ascorbate redox conditions leading to anilines has been documented. Control experiments revealed that both ascorbate and proline play important role in the reaction path way. Further, the use of this catalytic Cu(II) ascorbate redox system has been explored for the synthesis of arylthioethers. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Anilines, Azide reduction, Cu(II)-ascorbate redox system, SNAr reaction, Thioether}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.07.032}, author = {Goriya, Yogesh and Ramana, C. V.} } @article { ISI:000276010000034, title = {Cytotoxic activity of 9,10-dihydro-2,5-dimethoxyphenanthrene-1,7-diol from Eulophia nuda against human cancer cells}, journal = {Journal of Ethnopharmacology}, volume = {128}, number = {1}, year = {2010}, month = {MAR}, pages = {251-253}, publisher = {ELSEVIER IRELAND LTD}, address = {ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND}, abstract = {
Ethnopharmacological relevance: Eulophia nuda L. (Orchidaceae) is a medicinally important terrestrial orchid used for the treatment of tumours and various health problems by the local healers throughout the Western Ghats region in Maharashtra (India). Aim of the study: To isolate the active molecule from Eulophia nuda and to study its cytotoxic potential against human cancer cells. Materials and methods: The crude methanolic extract of Eulophia nuda tubers was fractionated by stepwise gradient of the solvents chloroform-methanol to isolate the pure compound. Isolated pure compound was assessed for its cytotoxic potential against human breast cancer cell lines, MCF-7 and MDA-MB-231 using MTT assay. Structure elucidation of the isolated active compound was carried out by extensive spectroscopic analysis including (1)H NMR, (13)C NMR, NOESY, COSY, LC-MS and IR. Results: The isolated active molecule was identified as phenanthrene derivative 9,10-dihydro-2,5-dimethoxyphenanthrene-1,7-diol. This compound showed good antiproliferative activity against human breast cancer cell lines MCF-7 (91\%) and MDA-MB-231 (85\%) at 1000 mu g/ml concentration. Conclusion: 9,10-Dihydro-2,5-dimethoxyphenanthrene-1,7-diol from Eulophia nuda tubers showed good growth suppressive effect against human cancer cell lines MCF-7 and MDA-MB-231 making it a potential biomolecule against human cancer. (C) 2009 Elsevier Ireland Ltd. All rights reserved.
}, keywords = {Cytotoxic activity, Eulophia nuda, Phenanthrene derivatives}, issn = {0378-8741}, doi = {10.1016/j.jep.2009.12.031}, author = {Shriram, Varsha and Kumar, Vinay and Kishor, P. B. Kavi and Suryawanshi, Sharad B. and Upadhyay, Ankur K. and Bhat, Manoj K.} } @article { ISI:000274207800015, title = {Cytotoxic and genotoxic assessment of glycolipid-reduced and -capped gold and silver nanoparticles}, journal = {New Journal of Chemistry}, volume = {34}, number = {2}, year = {2010}, month = {NOV}, pages = {294-301}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A systematic cytotoxic and genotoxic evaluation of glycolipid-conjugated silver and gold nanoparticles is carried out. These glycolipid nanoparticle conjugates are obtained by exploiting the reductive capability of a class of glycolipids called sophorolipids that play the role of capping agent as well. Further, when tested for their cytotoxicity and genotoxicity on HepG2 cells, these nanoparticles are found to be cytocompatible up to 100 mu M metal concentrations. Of the two metallic systems investigated, gold nanoparticles are found to be more cytocompatible than the same concentrations of silver nanoparticles. Similarly, it is also demonstrated that at 100 mu M, silver nanoparticles cause more DNA damage compared to gold nanoparticles of similar concentrations.
}, issn = {1144-0546}, doi = {10.1039/b9nj00277d}, author = {Singh, Sanjay and D{\textquoteright}Britto, Virginia and Prabhune, Asmita and Ramana, C. V. and Dhawan, Alok and Bhagavatula L. V. Prasad} } @article { ISI:000280527500020, title = {Design, synthesis and DNA/RNA binding studies of nucleic acids comprising stereoregular and acyclic polycarbamate backbone: polycarbamate nucleic acids (PCNA)}, journal = {Organic \& Biomolecular Chemistry}, volume = {8}, number = {16}, year = {2010}, month = {Jun}, pages = {3734-3741}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The designed, chiral, acyclic polycarbamate nucleic acids (PCNA) exhibited sequence and orientation specific binding to nucleic acids. Complexes of PCNA with DNA were as stable as PNA:DNA complexes and those with RNA were as stable as natural DNA:RNA complexes.
}, issn = {1477-0520}, doi = {10.1039/c003405n}, author = {Madhuri, Vangala and Kumar, Vaijayanti A.} } @article { ISI:000281754000029, title = {DFT Study of lewis base interactions with the MgCl2 surface in the ziegler-natta catalytic system: expanding the role of the donors}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {37}, year = {2010}, month = {SEP}, pages = {15771-15781}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We present a computational study, using density functional theory, of the role of internal and external donors in supported heterogeneous Ziegler-Natta polymerization catalyst systems. The focus of the investigation is the ability of the donors to stabilize the MgCl2 support through the zip mode of coordination. Phthalates and alkoxy benzoates have been considered as representative internal and external donors, respectively. Models for the alpha (ccp) and the beta (hcp) phases of the (110) MgCl2 lateral cut have been considered. Studies were first done with a {\textquoteleft}{\textquoteleft}Fully Fixed Model{\textquoteright}{\textquoteright}, where the atoms in the MgCl2 lateral cuts were kept fixed. The studies indicated that the phthalate donors would preferentially stabilize the alpha phase of MgCl2, while the alkoxy benzoate donors would stabilize the beta phase more, corroborating experimental results. A comparison of the zip coordination mode with other modes of coordination (mono, chelate, and bridge) indicates that it would be preferred over the mono and chelate coordination modes and be competitive with the bridge coordination mode. The validity of the Fully Fixed Model was then tested by doing calculations with the Partially Relaxed (some of the magnesium and chlorine atoms unfixed) and the Fully Relaxed (all atoms free) Models. The results from the latter two models corrected some of the discrepancies that had been observed for the Fully Fixed Model in comparison to previous experimental and computational investigations but were in general agreement with the Fully Fixed Model, indicating that the overall conclusions drawn with the earlier model are correct. Insertion studies done on an octahedrally coordinated titanium site flanked by two zip-coordinated phthalate donor molecules indicated that the zip-coordinating donors can confer exceptional regioselectivity to the titanium center. A list of potential donors that could serve as external donors, with di-iso-butyl phthalate (DIBP) as the internal donor, was investigated, and it was found that 1,3-diethers would serve as the best external donors to DIBP.
}, issn = {1932-7447}, doi = {10.1021/jp106673b}, author = {Vanka, Kumar and Singh, Gurmeet and Iyer, Divya and Gupta, Virendra K.} } @article { ISI:000277325500008, title = {Dibutyltin oxide catalyzed aminolysis of oxalate to carbamate, oxamate and derivatives of imidazolidine trione}, journal = {Applied Organometallic Chemistry}, volume = {24}, number = {5}, year = {2010}, month = {MAY}, pages = {402-407}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
Catalytic aminolysis of oxalates by simple and substituted ureas has been shown to give carbamates, oxamates and derivatives of imidazolidine trione. Various substituted ureas and oxalates were screened to verify the applicability of the protocol. The role of dibutyltin oxide as catalyst, effect of solvent and reaction conditions on product distribution pattern has been discussed. Copyright (C) 2010 John Wiley \& Sons, Ltd.
}, keywords = {Aminolysis, carbamate, derivative of imidazolidine trione, oxalate, oxamate, transfunctionalyzation, Urea}, issn = {0268-2605}, doi = {10.1002/aoc.1629}, author = {Kunde, Lalita B. and Kalyani, Vishwanath S. and Gupte, Sunil P.} } @article { ISI:000276270100009, title = {Differential accumulation of gliadin proteins in wheat grain of RILs grown at two different agroclimatic conditions and their effect on loaf volume}, journal = {Australian Journal of Crop Science}, volume = {4}, number = {1}, year = {2010}, month = {JAN}, pages = {63-67}, publisher = {SOUTHERN CROSS PUBL}, address = {8 91-93 MCKENZIE ST, LISMORE, NSW 2480, AUSTRALIA}, abstract = {
The end use of wheat depends on the quality and quantity of protein accumulated in the grain during the grain filling stage. Gliadin families of proteins are proved to affect the bread making quality (BMQ) by affecting the rheology and functionality of dough. The gliadin accumulation was analysed using Indian genotypes grown in two diverse agro climatic zones. About 16 RILs along with their parents HI977 and HD2329 revealed significant difference in accumulation of all gliadin fractions. High accumulation of alpha and beta gliadin with low level of gamma gliadin was observed for Kota as compared to Pune location. However, this significant difference in gliadin accumulation due to environment, did not affect the loaf volume performance of the RILs at statistically significant level.
}, keywords = {loaf volume (Lv), RP-HPLC, Wheat protein}, issn = {1835-2693}, author = {Elangovan, M. and Dholakia, Bhushan B. and Gaikwad, S. M. and Gupta, V. S.} } @article { ISI:000281058300002, title = {Dilute doping, defects, and ferromagnetism in metal oxide systems}, journal = {Advanced Materials}, volume = {22}, number = {29}, year = {2010}, month = {AUG}, pages = {3125-3155}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Over the past decade intensive research efforts have been carried out by researchers around the globe on exploring the effects of dilute doping of magnetic impurities on the physical properties of functional non-magnetic metal oxides such as TiO2 and ZnO. This effort is aimed at inducing spin functionality (magnetism, spin polarization) and thereby novel magneto-transport and magneto-optic effects in such oxides. After an early excitement and in spite of some very promising results reported in the literature, this field of diluted magnetic semiconducting oxides (DMSO) has continued to be dogged by concerns regarding uniformity of dopant incorporation, the possibilities of secondary ferromagnetic phases, and contamination issues. The rather sensitive dependence of magnetism of the DMSO systems on growth methods and conditions has led to interesting questions regarding the specific role played by defects in the attendant phenomena. Indeed, it has also led to the rapid re-emergence of the field of defect ferromagnetism. Many theoretical studies have contributed to the analysis of diverse experimental observations in this field and in some cases to the predictions of new systems and scenarios. In this review an attempt is made to capture the scope and spirit of this effort highlighting the successes, concerns, and questions.
}, issn = {0935-9648}, doi = {10.1002/adma.200903891}, author = {Ogale, Satishchandra B.} } @article {42727, title = {Direct hydrogenation of amides to alcohols and amines under mild conditions}, journal = {Journal of the American Chemical Society}, volume = {132}, year = {2010}, month = {NOV}, pages = {16756{\textendash}16758}, abstract = {
The selective, direct hydrogenation of amides to the corresponding alcohols and amines with cleavage of the C-N bond was discovered. The expected products of C-O cleavage are not formed (except as traces in the case of anilides). The reaction proceeds under mild pressure and neutral, homogeneous conditions using a dearomatized, bipyridyl-based PNN Ru(II) pincer complex as a catalyst. The postulated mechanism involves metal-ligand cooperation by aromatization-dearomatization of the heteroaromatic pincer core and does not involve hydrolytic cleavage of the amide. The simplicity, generality, and efficiency of this environmentally benign process make it attractive for the direct transformations of amides to alcohols and amines in good to excellent yields.
}, doi = {10.1021/ja1080019}, author = {Balaraman, Ekambaram and Gnanaprakasam, Boopathy and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000284386100046, title = {Direct transfer of micro-molded electrodes for enhanced mass transport and water management in PEMFC}, journal = {Electrochemistry Communications}, volume = {12}, number = {11}, year = {2010}, month = {NOV}, pages = {1638-1641}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Soft lithography technique is used to micropattern the electrodes on the electrolyte membrane of polymer electrolyte fuel cell (PEMFC) in order to alleviate the issues due to poor water management and inadequate reactant distribution in the fuel cell environment. Membrane electrode assembly with the micropatterned electrode has shown an increase in power density at a higher temperature as well as at a higher relative humidity when compared to a flat electrode. Consistency in cell performance is observed in the case of micropatterned electrodes. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Bipolar plate-less PEM fuel cell, Micropatterned electrodes, Microtransfer molding, Soft lithography}, issn = {1388-2481}, doi = {10.1016/j.elecom.2010.09.015}, author = {Deshmukh, Ashvini B. and Kale, Vinayak S. and Dhavale, Vishal M. and Sreekumar, K. and Vijayamohanan, K. and Shelke, Manjusha V.} } @article { ISI:000276229500006, title = {Discovery of rifampicin as a new anti-glycating compound by matrix-assisted laser desorption/ionization mass spectrometry-based insulin glycation assay}, journal = {European Journal of Mass Spectrometry}, volume = {16}, number = {2}, year = {2010}, month = {FEB}, pages = {221-226}, publisher = {IM PUBLICATIONS}, address = {6 CHARLTON MILL, CHARLTON, CHICHESTER,, W SUSSEX PO18 0HY, ENGLAND}, abstract = {
An in vitro insulin glycation assay was developed for screening glycation inhibitors. The assay involves the use of matrix-assisted laser desorption/ionization time-of-flight mass spectrometry for monitoring the formation of glycated insulin. The assay is simple, rapid and amenable for high throughput screening. Using this assay we have discovered a strong anti-glycation activity for the anti-tuberculosis drug rifampicin. These results were compared with bovine serum albumin glucose fluorescence assay. In addition, the IC(50) of rifampicin was lower than that of aminoguanidine, a known anti-glycating agent, suggesting that rifampicin is a more potent glycation inhibitor.
}, keywords = {AGE, aminoguanidine, antibiotic, diabetic complication, drug repositioning, IC(50)}, issn = {1469-0667}, doi = {10.1255/ejms.1066}, author = {Golegaonkar, Sandeep B. and Bhonsle, Hemangi S. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000278534900028, title = {D-(-)-Lactic acid production from cellobiose and cellulose by Lactobacillus lactis mutant RM2-24}, journal = {Green Chemistry}, volume = {12}, number = {6}, year = {2010}, month = {MAY}, pages = {1106-1109}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Lactobacillus lactis mutant RM2-24 utilizes cellobiose efficiently, converting it into D-(-)-lactic acid. Cellobiose-degrading enzyme activities were determined for whole cells, cell extracts and disrupted cells. Aryl-beta-glucosidase activity was detected in whole cells and disrupted cells, suggesting that these activities are confined to the cells. The mutant produced 80 g l(-1) of lactic acid from 100 g l(-1) of cellobiose with 1.66 g l(-1) h(-1) productivity. Production of D-lactic acid from different cellulose samples was also studied. The cellulose samples at high concentration (10\%) were hydrolyzed by cellulase enzyme preparation (10 FPU g(-1) cellulose) derived from Penicillium janthinellum mutant EU1 generated in our own laboratory. We obtained a maximum 72\% hydrolysis, yielding glucose and cellobiose as the main end products. Lactic acid was produced from these cellulose samples by simultaneous sacchari. cation and fermentation (SSF) in a media containing a cellulase enzyme preparation derived from Penicillium janthinellum mutant EU1 and cellobiose utilizing Lactobacillus lactis mutant RM2-24. A maximum lactic acid concentration of 73 g l(-1) was produced from a concentration of 100 g l(-1) of bagasse-derived cellulose, the highest productivity and yield being 1.52 g l(-1) h(-1) and 0.73 g g(-1), respectively. Considering that bagasse is a waste material available in abundance, we propose to use this biomass to produce cellulose and then sugars, which can be fermented to valuable products such as ethanol and lactic acid.
}, issn = {1463-9262}, doi = {10.1039/b925975a}, author = {Singhvi, Mamta and Joshi, Dipti and Adsul, Mukund G. and Varma, Anjanikumar and Gokhale, Digambar V.} } @conference { ISI:000287122200023, title = {Dynamic modeling of hydro- formylation of 1-decene on Rh/C catalyst in bubble colunm slurry reactor}, booktitle = {International Conference on Modeling, Optimization, and Computing}, series = {AIP Conference Proceedings}, volume = {1298}, year = {2010}, note = {International Conference on Modeling, Optimization, and Computing, Durgapur, INDIA, OCT 28-30, 2010}, month = {OCT}, pages = {143-150}, publisher = {Natl Inst Technol Durgapur; SERC, Dept Sci \& Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist Defence}, organization = {Natl Inst Technol Durgapur; SERC, Dept Sci \& Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist Defence}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {
A dynamic model has been developed for the bubble column slurry reactor operating under non-isothermal conditions. The model consists of mass and heat balance equations for the gas and liquid phases and the catalyst particle. The model equations consisted of partial differential equations (PDE) which were converted to ordinary differential equations (ODE) by using finite difference relationships for the spatial derivatives and the ordinary differential equations for the time derivatives (Numerical Method of Lines-NMoL). The model was applied to describe the dynamic behaviour of bubble column slurry reactor during the hydroformylation of 1-decene on Rh/C catalyst. Model simulations were performed to obtain a meaningful path to steady state and to reproduce the other characteristics of the dynamic behaviour of the reactor. Under given conditions, the reaction required approximately 3750 seconds to reach the steady state concentrations at various reactor positions. It was observed with increase in the fluid velocities, the dynamics of the system was altered to 2500 seconds to reach the steady state condition. The effect of axial dispersion on the substrate concentration and the temperature rise along the reactor was further studied and discussed.
}, keywords = {axial dispersion, bubble column slurry reactor, Dynamic modeling, method of line, PDE solutions}, isbn = {978-0-7354-0854-8}, issn = {0094-243X}, doi = {10.1063/1.3516292}, author = {Upkare, Makarand M. and Rajurkar, Kalpendra B. and Das, Samir K. and Jaganathan, Rengaswamy}, editor = {Paruya, S. and Kar, S. and Roy, S.} } @article { ISI:000284101100028, title = {Dynamic study of N {\textquoteleft} N-dimethylparanitroaniline encapsulated in silicalite-1 matrix using neutron spin-echo spectroscopy}, journal = {European Physical Journal-Special Topics}, volume = {189}, number = {1}, year = {2010}, month = {OCT}, pages = {279-284}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
The present work focuses on the dynamic studies of N{\textquoteright}N-dimethyl-paranitroaniline (dmpNA) encapsulated in silicalite zeolite. Quasielastic neutron scattering (QENS) experiments are carried out using neutron spin-echo technique. Polarisation of the scattered neutron beam is measured at carefully chosen values of Q = 0.35, 0.9, 1.1 and 1.45 angstrom(-1) at fixed T = 298K and at fixed Q = 0.9 angstrom(-1) at 150, 200, 250 and 298 K. This gives insight into the motion and the related activation energy of the guest dmpNA molecule. The quasielastic signal observed in the present system within the time range considered is due to fast local rotational motions of protons of the end methyl groups. The results are in good agreement with the dynamics of methyl group rotations reported in the literature by back-scattering QENS technique.
}, issn = {1951-6355}, doi = {10.1140/epjst/e2010-01333-9}, author = {Bhange, Deu S. and Dejoie, C. and Porcher, F. and Malikova, N. and Martinetto, P. and Dooryhee, E. and Anne, M.} } @article { ISI:000282607600040, title = {Ecofriendly synthesis and solar photocatalytic activity of S-doped ZnO}, journal = {Journal of Hazardous Materials}, volume = {183}, number = {1-3}, year = {2010}, month = {NOV}, pages = {315-323}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The S-doped ZnO was prepared by new ecofriendly method, which involves simple mechanochemical synthesis followed by thermal decomposition of bisthiourea zinc oxalate (BTZO) powders. The BTZO was characterized by FTIR and TG-DTA analysis while S-doped ZnO crystallite was characterized by XRD, XPS, SEM, EDXS, and photoluminescence (PL) spectra. X-ray diffraction data suggest the single phase wurtzite structure for S-doped ZnO and the incorporation of sulfur expand the lattice constants of ZnO. Room temperature PL spectra show more number of oxygen vacancies in S-doped ZnO as compare to that of pure ZnO. Photocatalytic activity of S-doped ZnO was checked by means of solar photocatalytic degradation (PCD) of resorcinol, using a batch photoreactor. The PCD efficiency of S-doped ZnO was found to be 2 times greater than that of pure ZnO. The inherent relationship between PL intensity and photocatalytic activity of S-doped ZnO was discussed. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Photocatalysis, photoluminescence, Resorcinol, S-doped ZnO, Sunlight, XPS}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2010.07.026}, author = {Patil, Ashokrao B. and Patil, Kashinath R. and Pardeshi, Satish K.} } @article { ISI:000278307300038, title = {Effect of additives on the co-electrodeposition of Sn-Ag-Cu lead-free solder composition}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {219-223}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We have developed a methane sulfonic acid (MSA) based ternary electrodeposition bath for the deposition of near eutectic Sn-Ag-Cu films aimed at solder bumping applications in electronics. The bath contains thiourea as chelating agent and iso-octyl phenoxy ethanol (OPPE) as surfactant. We added gelatin to this bath and studied its effect on bath stability, microstructure of the deposited films and the film composition. It is found that the bath containing both the additives, viz. OPPE and gelatin, show improved stability up to 8-10 days. Striking improvement in the film microstructure, in terms of the compactness, uniformity and refinement of grains was found when the bath contained these additives. Detailed electrochemical studies with the help of cyclic voltametry and impedance analysis helped in understanding the role played by these additives during deposition. It is confirmed that there is a formation of loosely connected, highly non-uniform passivating film on the cathode surface, which is removed competitively by the depositing metal ions during the deposition. It is also clear that the additives play a role in the formation of such a passivating film. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Additives, Lead-free solders, Sn-Ag-Cu, Solder bumping, Ternary bath}, issn = {0921-5107}, doi = {10.1016/j.mseb.2010.01.017}, author = {Joseph, Shany and Phatak, Girish J.} } @article { ISI:000278592400024, title = {Effect of Fe3O4 on morphology of Fe-SnO2 hyperbranched heterostructures}, journal = {Chemical Physics Letters}, volume = {493}, number = {1-3}, year = {2010}, month = {JUN}, pages = {121-125}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple modified thermal evaporation technique is employed for the synthesis of microstructured Fe:SnO2 system and their plausible growth mechanism has been proposed based on the results from various characterization techniques. Such structures grow in two steps; initially, growth of Fe core takes place from Fe3O4 source which acts as nucleating site for SnO2 growth on its surface as per the vapor-liquid- solid progression. Moreover, the composition of Fe/Sn source and temperature are found to have key roles in governing their morphology. XPS studies clearly demonstrate the presence of Fe species, which acts as a catalyst along with source for hetero-structure growth with SnO2. (C) 2010 Published by Elsevier B.V.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2010.05.019}, author = {Sathe, Bhaskar R. and Walke, Pravin S. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article { ISI:000284374500018, title = {Effect of gamma-dose rate on biodegradation of gamma-sterilized biomedical polyolefins}, journal = {Journal of Polymers and the Environment}, volume = {18}, number = {4}, year = {2010}, month = {DEC}, pages = {600-607}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The aim of the present study is to study the effect of gamma-dose rate on the biodegradation of gamma-sterilized polyolefins. Films of isotactic polypropylene, high density polyethylene and ethylene-propylene (EP) copolymer were sterilized under gamma-radiation with doses of 10 and 25 kGy. Two different (60)Co sources were used with dose rate 600 and 780 Gy h(-1). Neat and sterilized samples were incubated in compost and fungal culture environments. The changes in functional groups, surface morphology and intrinsic viscosity in polymer chains were characterized by FT-IR spectroscopy, SEM and viscometric measurements, respectively. It was observed that both gamma-degradation and biodegradation processes depend on the dose rate of gamma-source. It was found that the biodegradation of gamma-sterilized polyolefins in composting and microbial culture environments increased with decreasing the gamma-dose rate.
}, keywords = {Biodegradation, Composting and fungal culture, gamma-Dose rate, Polyolefins, Sterilization}, issn = {1566-2543}, doi = {10.1007/s10924-010-0217-9}, author = {Alariqi, Sameh A. S. and Singh, R. P.} } @article { ISI:000286305100010, title = {Effect of leakage current and dielectric constant on single and double layer oxides in MOS structure}, journal = {Thin Solid Films}, volume = {519}, number = {5, SI}, year = {2010}, note = {37th International Conference on Metallurgical Coatings and Thin Films, San Diego, CA, APR 26-30, 2010}, month = {DEC}, pages = {1530-1535}, publisher = {Amer Vacuum Soc, Adv Surface Engn Div}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
MOS structure of Al/Al2O3/n-Si, Al/TiO2/n-Si and Al/Al2O3/TiO2/n-Si was obtained by deposition of Al2O3 and TiO2 on silicon substrate by RF Magnetron Sputtering system. The total thickness of the oxide layer similar to 40 +/- 5 nm in the MOS structure was kept constant. Samples were characterized by X-Ray diffraction (XRD). X-Ray photoelectron spectroscopy (XPS), Impedance analyzer and Current-voltage (J-V) characteristics. The variations in the dielectric constant and tan 8 of the MOS capacitor in the frequency range of 1000Hz-1MHz were measured by impedance analyzer. The variation in dielectric constant of the Al/Al2O3/TiO2/n-Si multilayer compared to single layer of Al/Al2O3/n-Si and Al/TiO2/n-Si is due to high probability of defects, lattice mismatch and interface interactions. The steep rise of Tan 6 values in the Al/Al2O3/TiO2/n-Si structure is due to the resonance effect of both Al2O3 and TiO2 layers. The leakage current mechanisms of MOS structures were extracted from Schottky coefficient and Poole-Frenkel coefficient. Theoretical values of Schottky coefficients (beta(SC)) and Poole-Frenkel coefficients (beta(PF)) for each sample were estimated using the real part of the dielectric constant. The experimental values were calculated from J-V characteristics and compared with theoretical values. The appropriate model has been proposed. It was found that Schottky and Poole-Frenkel mechanisms are applicable at low and high field respectively for all MOS structures. The combination of Al/Al2O3/TiO2/n-Si is found to be a promising structure with high dielectric constant and low leakage current suitable for MOS devices. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Al2O3, dielectric constant, Leakage current, MOS device, Poole-Frenkel emission, Schottky emission, TiO2}, issn = {0040-6090}, doi = {10.1016/j.tsf.2010.08.089}, author = {Laha, Pinaki and Panda, A. B. and Dahiwale, S. and Date, Kalyani S. and Patil, K. R. and Barhai, P. K. and Das, A. K. and Banerjee, Indrani and Mahapatra, S. K.} } @article {42747, title = {Effect of nanoparticle conjugation on gene silencing by RNA interference}, journal = {Journal of American Chemical Society}, volume = {132}, year = {2010}, month = {JUN}, pages = {8241-8243}, doi = {10.1021/ja102132e}, author = {Singh, Neetu and Agrawal, Amit C. and Leung, Anthony K. L. and Sharp, Phillip A. and Bhatia, Sangeeta N.} } @article { ISI:000274269700021, title = {Effect of reduced particle size on the magnetic properties of chemically synthesized BiFeO3 nanocrystals}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {5}, year = {2010}, month = {FEB}, pages = {2108-2115}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Here, we report the effect of reduction in particle size on the temperature dependent magnetization of chemically synthesized BiFeO3 nanocrystals with average grain size of 55 nm. The X-ray photoelectron spectroscopy results show a significant broadening of binding energy peaks associated to Fe3+ 2p(3/2) core levels due to the reduced size. Additionally, due to the nanosize effect, the M-H loops show a significant coercivity starting from 390 K with an anomaly located in the vicinity of 150 K in our H-c vs T as well as M-r/M-s(50 kOe) vs T curves. At this temperature, both H-c and M-r/M-s(50 kOe) undergo minima. Additionally, our results for the first time show the evidence of existence of a low temperature anomaly due to spin-glass transition in the range from 40-44 K in the field cooled magnetization curves. In bulk single crystals, this transition is reported to be situated at around 50 K, however, this transition remained so far undiscovered in the recent studies on BiFeO3 nanoparticles due to the insufficient temperature resolution. The significant shift in this transition toward lower temperature can be attributed to size dependent effects. Our results clearly present new information on the size dependent properties of BiFeO3 nanoparticles.
}, issn = {1932-7447}, doi = {10.1021/jp910745g}, author = {Jaiswal, Adhish and Das, Raja and Vivekanand, K. and Abraham, Priya Mary and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000278112200007, title = {Effect of solvents having different dielectric constants on reactivity: a conceptual DFT approach}, journal = {International Journal of Quantum Chemistry}, volume = {110}, number = {9}, year = {2010}, month = {AUG}, pages = {1642-1647}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Conceptual density functional theory is exploited to understand the reactivity in a medium of solvents with increasing dielectric constants. Aprotic as well as protic solvents are used for this study. It is found that the global parameters, such as chemical potential and hardness, decrease from gas phase to solvent phase with increasing dielectric constant. However, it is observed that the Fukui functions of the reactive atoms increase significantly with the dielectric constants of the aprotic solvents while for the protic solvents the variation of the reactivity indices is insignificant. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 110: 1642-1647, 2010
}, keywords = {COSMO, DFT, dielectric constant, Reactivity descriptors, solvent effect}, issn = {0020-7608}, doi = {10.1002/qua.22333}, author = {Kar, Rahul and Pal, Sourav} } @article { ISI:000284326800032, title = {Effect of sub-lethal concentrations of insect growth regulator, lufenuron on larval growth and development of Aedes aegypti}, journal = {Current Science}, volume = {99}, number = {9}, year = {2010}, month = {NOV}, pages = {1256-1259}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
The effect of sub-lethal concentrations (LC20 = 0.0002 and 0.001 ppm, and LC40 = 0.002 and 0.02 ppm for II and IV instar larvae respectively) of a dispersible concentrate formulation of the insect growth regulator, lufenuron on larval growth and development of Aedes aegypti was studied. When II and IV instar larvae were subjected to the above-mentioned sub-lethal concentrations of lufenuron through the culture medium, there was a significant increase in the time taken for pupation (17.2 +/- 0.74 and 11.4 +/- 0.8 days for II and IV instar LC20-treated larvae respectively, and 19 +/- 0.89 and 14.6 +/- 1.0 days for II and IV instar LC40-treated larvae respectively). Also, there was increase in the time taken for adult emergence 3.8 +/- 0.83 and 5.4 +/- 0.83 days from pupation of LC40-treated II and IV instar larvae respectively). There was 28.1 +/- 2.06\% and 43.59 +/- 0.87\% reduction in pupation in LC20 of lufenuron-treated II and IV instar A. aegypti larvae respectively. Also, with LC20 of lufenuron-treated II and IV instar larvae there was 43.54 +/- 5.12\% and 43.59 +/- 0.87\% reduction in adult emergence respectively. Further, it was observed that II instar larvae treated with LC20 of lufenuron developed into 25.8 +/- 2.08\% deformed adults. In LC40-treated II instar larvae there was 33.72 +/- 2.38\% reduction in pupation and 63.44 +/- 4.76\% reduction in adult emergence. Also, it was observed that there was 54.84 +/- 3.9\% and 61.3 +/- 5.2\% reduction in pupation and adult emergence respectively, in IV instar larvae treated with LC40 of lufenuron. The reduction in pupation of the IV instar larvae treated with LC40 of lufenuron was due to failure of the larvae to undergo pupation. These studies are fundamental to the use of lufenuron in A. aegypti management.
}, keywords = {Aedes aegypti, larval growth and development, lufenuron, sub-lethal concentration}, issn = {0011-3891}, author = {Salokhe, S. G. and Mukherjee, Samindra N. and Deshpande, S. G. and Ghule, V. P. and Mathad, J. R.} } @article { ISI:000273038200015, title = {Effect of the allylic substituents on ring closing metathesis: the total synthesis of stagonolide B and 4-epi-stagonolide B}, journal = {Organic \& Biomolecular Chemistry}, volume = {8}, number = {2}, year = {2010}, month = {OCT}, pages = {398-406}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The total syntheses of stagonolide B and its 4-epimer were carried out to probe into how the relative stereochemistry of allylic hydroxy groups and their protecting groups influence the efficiency of the ring closing metathesis.
}, issn = {1477-0520}, doi = {10.1039/b916198h}, author = {Giri, Awadut G. and Mondal, Mohabul A. and Puranik, Vedavati G. and Ramana, Chepuri V.} } @article { ISI:000284814600017, title = {Efficient heterogeneous catalytic system for chemoselective hydrogenation of unsaturated ketones in aqueous medium}, journal = {Polyhedron}, volume = {29}, number = {17}, year = {2010}, month = {NOV}, pages = {3262-3268}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A highly chemoselective and green heterogeneous catalytic system of immobilized Ru(II)-phenanthroline complexes on amino functionalised MCM-41 material for the chemoselective hydrogenation of unsaturated ketones to unsaturated alcohols is demonstrated using water as a solvent The XRD and FTIR spectra show the highly ordered hexagonal nature of the MCM-41 even after encapsulation of the ruthenium complex The complex retains its configuration after anchoring as was confirmed by FTIR and UV-Vis analysis The detailed reaction parametric effect was studied for the hydrogenation of 3 methylpent-3-en-2-one to achieve complete conversion up to \>99\% chemoselectivity of 3-methylpent-3-en-2 ol The anchored heterogeneous catalysts were recycled effectively and reused five times with marginal changes in activity and selectivity The use of water as a solvent not only afforded high activity for the hydroge nation reaction compared to organic solvents but also afforded a green process Crown Copyright (C) 2010 Published by Elsevier Ltd All rights reserved
}, keywords = {1 10 Phenanthroline, alpha beta Unsaturated ketone, Chemoselective hydrogenation, mesoporous materials, ruthenium}, issn = {0277-5387}, doi = {10.1016/j.poly.2010.09.006}, author = {Deshmukh, Amit A. and Kinage, Anil K. and Kumar, Rajiv and Meijboom, Reinout} } @article { ISI:000282792300030, title = {Efficient industrial dye decolorization by Bacillus sp. VUS with its enzyme system}, journal = {Ecotoxicology and Environmental Safety}, volume = {73}, number = {7}, year = {2010}, month = {OCT}, pages = {1696-1703}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
This work presents role of different enzymes in decolorization of industrial dye Orange T4LL by Bacillus sp. VUS. Bacillus sp. strain VUS decolorized dye Orange T4LL, under static anoxic condition in 24 h. During decolorization of Orange T4LL a significant induction in the activities of lignin peroxidase, tyrosinase, and reductases (NADH-DCIP, azo, and riboflavin) was observed. The biodegradation was monitored by Ultraviolet-visible spectroscopy, Fourier transform infrared spectroscopy, and high performance liquid chromatography. The final products 4-methyl-2-o-tolylazo-benzene-1,3-diamine and [3-(phenyl-hydrazono)-cyclohexa-1,4-dienyl]-methanol were characterized by gas chromatography-mass spectroscopy. Phytotoxicity, COD, and BUD revealed non-toxicity of degraded products. Phytotoxicity study demonstrated non-toxicity of the biodegraded products for crop plants with respect to Triticum aestivum and Sorghum bicolor. Bacillus sp. VUS with its enzyme system could be a useful tool for textile effluent treatment. (C) 2010 Elsevier Inc. All rights reserved.
}, keywords = {Decolorization, GC-MS, Lignin peroxidase, Orange T4LL, Phytotoxicity, Reductases}, issn = {0147-6513}, doi = {10.1016/j.ecoenv.2010.07.002}, author = {Dawkar, Vishal V. and Jadhav, Umesh U. and Tamboli, Dhawal P. and Govindwar, Sanjay P.} } @article {43206, title = {Efficient synthesis of varenicline}, journal = {Tetrahedron Letters}, volume = {51}, year = {2010}, month = {JAN}, pages = {151-152}, abstract = {Synthesis of varenicline the antismoking drug has been achieved in six steps with 10\% overall yield. A Diels-Alder reaction, oxidative cleavage of an olefin and reductive amination remain as key steps in the synthesis (C) 2009 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2009.10.107}, author = {Pasikanti, Srinivas and Reddy, D. Srinivasa and Venkatesham, B. and Dubey, P. K. and Iqbal, Javed and Das, Parthasarathi} } @article { ISI:000275706100023, title = {Elucidation of the role of hexamine and other precursors in the formation of magnetite nanorods and their stoichiometry}, journal = {Physical Chemistry Chemical Physics}, volume = {12}, number = {13}, year = {2010}, month = {FEB}, pages = {3246-3253}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Hexamine is known to assist anisotropic growth of metal oxides and the same is also found to be true for magnetite nanosynthesis. In this work we elucidate the role of hexamine and other precursors in the formation of magnetite nanorods by the hydrothermal route and their stoichiometry. Various others hydrolyzing agents such as sodium hydroxide (NaOH), sodium hydroxide + hexamine, ammonia (NH(3)), ammonia + formaldehyde are also studied. The synthesized nanoparticles are characterized with the help of various techniques such as X-ray diffraction (XRD), FT-IR spectroscopy, UV-VIS-NIR spectroscopy, transmission electron microscopy (TEM), Mossbauer spectroscopy and SQUID magnetization measurements. It is found that only when ferric chloride, ferrous ammonium sulfate (FAS) and hexamine are used, well defined nanorods are formed. When sodium hydroxide and hexamine are used as a hydrolyzing system nearly spherical nanoparticles with small size (similar to 13 nm) are formed, as compared to the case of sodium hydroxide alone which leads to bigger cube like nanoparticles. Interestingly the decomposition products of hexamine do not lead to nanorod formation. Thus, slow decomposition of hexamine at elevated temperature and the consequent slow rise in pH is the key to the anisotropic growth of the iron oxide system.
}, issn = {1463-9076}, doi = {10.1039/b917407a}, author = {Singh, Hema and Bhagwat, Shrikant and Jouen, Samuel and Lefez, Benoit and Athawale, Anjali A. and Hannoyer, Beatrice and Ogale, Satishchandra} } @article { ISI:000285311000016, title = {Enantio- and diastereocontrolled total synthesis of (+)-strictifolione}, journal = {European Journal of Organic Chemistry}, number = {36}, year = {2010}, month = {DEC}, pages = {6993-7004}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
A concise and practical enantioselective synthesis of (+)-strictifolione has been achieved in high diastereomeric excess using Jacobsen{\textquoteright}s hydrolytic kinetic resolution, proline-catalyzed sequential alpha-aminoxylation and Horner-Wadsworth-Emmons olefination of aldehyde and cross olefin/ring-closing metathesis as the key steps.
}, keywords = {Asymmetric synthesis, Hydrolytic kinetic resolution, lactones, Natural products, organocatalysis, Ring-closing metathesis, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201001221}, author = {Kumar, Pradeep and Pandey, Menaka and Gupta, Priti and Naidu, S. Vasudeva and Dhavale, Dilip D.} } @article { ISI:000279746300009, title = {Enantioselective synthesis of (+)-alpha-conhydrine and (-)-sedamine by L-proline-catalysed alpha-aminooxylation}, journal = {European Journal of Organic Chemistry}, number = {18}, year = {2010}, month = {JUN}, pages = {3437-3444}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
An efficient organocatalytic approach to the enantioslective synthesis of two important piperidine alkaloids, namely (+)-alpha-conhydrine (98\% ee) and (-)-sedamine (95\% ee), by L-proline-catalysed alpha-aminooxylation of aldehydes has been developed. The strategy involves an intramolecular cyclization to construct the piperidine core.
}, keywords = {alkaloids, Amino acids, Aminooxylation, Enantioselectivity, organocatalysis}, issn = {1434-193X}, doi = {10.1002/ejoc.201000169}, author = {Shaikh, Tanveer Mahamadali and Sudalai, Arumugam} } @article { ISI:000278985800034, title = {Enantioselective synthesis of (R)-(+)-alpha-lipoic acid via proline-catalyzed sequential alpha-aminoxylation and HWE olefination of aldehyde}, journal = {Tetrahedron Letters}, volume = {51}, number = {27}, year = {2010}, month = {JUL}, pages = {3587-3589}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient enantioselective synthesis of (R)-(+)-alpha-lipoic acid is described, in high optical purity (\>97\% ee), using L-proline-catalyzed sequential alpha-aminoxylation and Horner-Wadsworth-Emmons olefination of aldehyde as the key step. (C) 2010 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.05.007}, author = {Panchgalle, Sharad P. and Jogdand, Ganesh F. and Chavan, Subhash P. and Kalkote, Uttam R.} } @article { ISI:000278616800022, title = {Enantioselective synthesis of syn/anti-1,3-amino alcohols via proline-catalyzed sequential alpha-aminoxylation/alpha-amination and horner-wadsworth-emmons olefination of aldehydes}, journal = {Organic Letters}, volume = {12}, number = {12}, year = {2010}, month = {JUN}, pages = {2762-2765}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A novel and general method for asymmetric synthesis of both syn/anti-1,3-amino alcohols is described. The method uses proline-catalyzed sequential alpha-aminoxylation/alpha-amination and Horner-Wadsworth-Emmons (HWE) olefination of aldehydes as the key step. By using this method, a short synthesis of a bioactive molecule, (R)-1-((S)-1-methylpyrrolidin-2-yl)-5-phenylpentan-2-ol, is also accomplished.
}, issn = {1523-7060}, doi = {10.1021/ol100856u}, author = {Jha, Vishwajeet and Kondekar, Nagendra B. and Kumar, Pradeep} } @article {43205, title = {Enantiospecific synthesis of sex pheromone of the obscure mealybug from pantolactone via tandem conjugate addition/cyclization}, journal = {Tetrahedron Letters}, volume = {51}, year = {2010}, month = {OCT}, pages = {5291-5293}, abstract = {An efficient synthesis of an enantiomer of insect{\textquoteright}s natural pheromone is reported starting from chiral pool D-(-)-pantolactone. Highly stereoselective tandem conjugate addition/cyclization sequence and hydrogenation of exocyclic double bond are the key steps in the present synthesis. (C) 2010 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2010.07.166}, author = {Hajare, Atul K. and Datrange, Laxmikant S. and Vyas, Samir and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000275702600044, title = {Enhanced negative thermal expansion in MFI molecular sieves by varying framework composition}, journal = {Microporous and Mesoporous Materials}, volume = {130}, number = {1-3}, year = {2010}, month = {MAY}, pages = {322-326}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In the present investigations we have carried out the high temperature X-ray diffraction (HTXRD) studies on the metallosilicate molecular sieves iron silicalite-1 (FeS-1) samples of different Si/M ratios (Si/Fe = 50, 75, 100 and infinity) for their negative thermal expansion (NTE) behavior. All the samples exhibit NTE behavior in the temperature range 373-773 K. Systematic increase in negative thermal expansion coefficient is observed as a function of increasing Fe content in the MFI framework. Strength of the negative thermal expansion increases in the order Si/Fe = infinity \< 100 \< 75 \< 50. It is concluded that by changing the composition of the framework of MFI, enhanced negative thermal expansion can be obtained. (C) 2009 Elsevier Inc. All rights reserved.
}, keywords = {HTXRD, Negative thermal expansion, Silicalite-1}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2009.11.029}, author = {Bhange, Deu S. and Ramaswamy, Veda} } @article { ISI:000274436100010, title = {Enhanced production of gibberellin A(4) (GA(4)) by a mutant of Gibberella fujikuroi in wheat gluten medium}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {37}, number = {3}, year = {2010}, month = {MAR}, pages = {297-306}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
Mutants of Gibberella fujikuroi with different colony characteristics, morphology and pigmentation were generated by exposure to UV radiation. A mutant, Mor-189, was selected based on its short filament length, relatively high gibberellin A(4) (GA(4)) and gibberellin A(3) (GA(3)) production, as well as its lack of pigmentation. Production of GA(4) by Mor-189 was studied using different inorganic and organic nitrogen sources, carbon sources and by maintaining the pH of the fermentation medium using calcium carbonate. Analysis of GA(4) and GA(3) was done by reversed-phase high-performance liquid chromatography and LC-MS. The mutants of G. fujikuroi produced more GA(4) when the pH of the medium was maintained above 5. During shake flask studies, the mutant Mor-189 produced 210 mg l(-1) GA(4) in media containing wheat gluten as the nitrogen source and glucose as the carbon source. Fed-batch fermentation in a 14 l agitated fermenter was performed to evaluate the applicability of the mutant Mor-189 for the production of GA(4). In 7-day fed-batch fermentation, 600 mg l(-1) GA(4) were obtained in the culture filtrate. The concentration of GA(4) and GA(3) combined was 713 mg l(-1), of which GA(4) accounted for 84\% of the total gibberellin. These values are substantially higher than those published previously. The present study indicated that, along with maintenance of pH and controlled glucose feeding, the use of wheat gluten as the sole nitrogen source considerably enhances GA(4) production by the mutant Mor-189.
}, keywords = {Fermentation, GA(4), Gibberella fujikuroi, Mutant, Wheat gluten}, issn = {1367-5435}, doi = {10.1007/s10295-009-0673-1}, author = {Lale, Geetanjali and Gadre, Ramchandra V.} } @article { ISI:000283216900029, title = {Enhancement of anisotropic conductivity, elastic, and dielectric constants in a liquid crystal-gold nanorod system}, journal = {Applied Physics Letters}, volume = {97}, number = {15}, year = {2010}, month = {OCT}, pages = {151913}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
We report electrical conductivity (sigma), dielectric constant (epsilon) and the elastic constant measurements in a nematic liquid crystal (LC) doped with small concentrations of gold nanorods. This LC-nanoparticle complex, shows not only orders of magnitude higher sigma, but also stabilizes its anisotropy. The epsilon data suggests an increased ordering in the nematic phase, and an improved antiparallel correlation of the molecules in the isotropic phase. Surprisingly, an anisotropic enhancement of the Frank elasticity is also seen. We suggest a possible electro/magnetomechanical conductivity switch and also provide explanations based on the aspect ratio of the nanoparticles vis-a-vis the LC molecules. (c) 2010 American Institute of Physics. [doi:10.1063/1.3499744]
}, issn = {0003-6951}, doi = {10.1063/1.3499744}, author = {Sridevi, S. and Prasad, S. Krishna and Nair, Geetha G. and D{\textquoteright}Britto, Virginia and Bhagavatula L. V. Prasad} } @article { ISI:000282471100001, title = {Enhancement of thermal stability and phase relaxation behavior of chitosan dissolved in aqueous l-lactic acid: using {\textquoteleft}silver nanoparticles{\textquoteright} as nano filler}, journal = {Macromolecular Research}, volume = {18}, number = {8}, year = {2010}, month = {AUG}, pages = {713-720}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Chitosan films with various compositions of silver nanoparticles were prepared by solution casting with an aqueous solution of chitosan and l-lactic acid. The chitosan/Ag nanocomposites were characterized by wide angle Xray diffraction (WAXD) and UV-vis spectroscopy. An analysis of the surface topography and size of the Ag nanoparticles (\<= 100 nm) were characterized by scanning electron microscopy (SEM) and atomic force microscopy (AFM), respectively. Thermogravimetric analysis (TGA/DTA) confirmed the increase in thermal stability with increasing Ag nanoparticle content in the nanocomposites. Dynamic thermal analysis (DMA) was used to examine the phase relaxation behavior of chitosan and its nanocomposites. The conductivity of chitosan/Ag nanocomposites was considered with respect to the frequency. Contact angle measurements were used to characterize the surface twistability, surface cleanliness, and hydrophilic/hydrophobic nature of the surface.
}, keywords = {Chitosan, conductivity, contact angle, relaxation, silver nanoparticles}, issn = {1598-5032}, doi = {10.1007/s13233-010-0801-9}, author = {Rana, V. K. and Pandey, Asutosh K. and Singh, Raj Pal and Kumar, B. and Mishra, Satyendra and Ha, Chang-Sik} } @article { ISI:000280972500010, title = {Enzymatic hydrolysis and ethanol production using xyloglucanase and debaromyces hansenii from tamarind kernel powder: galactoxyloglucan predominant hemicellulose}, journal = {Journal of Biotechnology}, volume = {148}, number = {4}, year = {2010}, month = {AUG}, pages = {233-239}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The hydrolysis and ethanol production from tamarind kernel powder (TKP), a rich source of galactoxyloglucan (GXG) was investigated for the first time using xyloglucanase and thermotolerant Debaromyces hansenii. The acid hydrolysis of TKP with 2N H(2)SO(4) at 120 degrees C for 30 min yielded an overall saccharification of 94\% based on the total available carbohydrate content and further fermentation at 40 degrees C with thermotolerant D hansenii produced an ethanol yield of 0.35 g/g. A maximum hydrolysis of 55 and 78\% for GXG was obtained in 48 h at 50 degrees C using Thermomonospora xyloglucanase (TXy) and accellerase (TM) 1000, respectively. The synergistic effect of beta-galactosidase and xyloglucanase was demonstrated by the exogenous addition of beta-galactosidase to TXy which improved the overall hydrolysis of GXG by 30\%. The rate of hydrolysis of GXG with TXy and accellerase was increased by 15-20\% in the presence of chemical surfactants (tween 80 and toluene) or protein additive (BSA). The fermentation of enzymatic hydrolysates of GXG by TXy and accellerase with free cells at 40 degrees C produced an ethanol yield of 0.39 and 0.41 g/g whereas with immobilized cells produced 0.45 and 0.43 g/g, respectively, with a theoretical conversion efficiencies of 78-88\%. The immobilized yeast cells were reused six times at 40 degrees C with 100\% fermentation efficiency. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Ethanol, Galactoxyloglucan, Hydrolysis, Tamarind kernel powder, Thermotolerant yeast, Xyloglucanase}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2010.06.004}, author = {Menon, Vishnu and Prakash, Gyan and Rao, Mala} } @article { ISI:000274459600009, title = {Evidence for the co-existence of distorted tetrahedral and trigonal bipyramidal aluminium sites in SrAl12O19 from Al-27 NMR studies}, journal = {Solid State Communications}, volume = {150}, number = {5-6}, year = {2010}, month = {JAN}, pages = {262-266}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Strontium aluminate, SrAl12O19, is a ceramic material having the hexagonal magnetoplumbite-type structure, with multiple Al coordination environments. An earlier low-field Al-27 solid-state NMR study reported five different Al sites in this system: one AlO4, one AlO5, and three AlO6 sites; whereas a later high-field study showed that the AlO5 site is a distorted AlO4 site with a very large quadrupolar coupling constant (similar to 20 MHz). Our magic angle spinning (MAS) and 3-quantum magic angle spinning (3QMAS) NMR studies at 7.05 T unambiguously show evidence for an AlO5 site. However, evidence for the presence of a distorted AlO4 site is obtained from studies at high fields (16.4 and 17.6 T), in addition to the AlO5 site. Thus the present solid-state NMR studies give evidence for the simultaneous presence of both the five-coordinated and distorted four-coordinated sites in this system. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Local structure, MQMAS, Nuclear magnetic resonance, Strontium aluminate}, issn = {0038-1098}, doi = {10.1016/j.ssc.2009.11.008}, author = {Harindranath, K. and Viswanath, K. Anusree and Chandran, C. Vinod and Braeuniger, Thomas and Madhu, Perunthiruthy K. and Ajithkumar, Thalasseril G. and Joy, Pattayil Alias} } @article { ISI:000280463000017, title = {Exfoliation of clay layers in polypropylene matrix using potassium succinate-g-polypropylene as compatibilizer}, journal = {Composites Science and Technology}, volume = {70}, number = {10}, year = {2010}, month = {SEP}, pages = {1550-1556}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The efficiency of potassium succinate-g-polypropylene (KPPSA) as compatibilizer for the dispersion of clay in a high molecular weight polypropylene during melt mixing for the preparation of nanocomposites was evaluated and compared with maleic anhydride-g-polypropylene (PPMA). Nanocomposites were prepared by direct melt mixing and by masterbatch methods and the structure obtained was characterized by WAXD and TEM. The exfoliation and better dispersion of the organoclay was observed with KPPSA than PPMA. The dispersion of clay was found to be dependent on the method of preparation, type and the amount of compatibilizer used. The dispersion was better when the nanocomposites were prepared by two step masterbatch route than the single step direct mixing method. Flexural moduli and crystallization behavior were studied and correlated with the dispersion of organoclay in the PP matrix. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {differential scanning calorimetry, Mechanical property, Nano composites, Nanoclays, polypropylene}, issn = {0266-3538}, doi = {10.1016/j.compscitech.2010.05.021}, author = {Rama, Mallikarjuna Shroff and Neppalli, Ramesh and Chellaswamy, Ramesh and Swaminathan, Sivaram} } @article { ISI:000273400300004, title = {Experimental and theoretical study on the remarkable influence of protecting groups on the selectivity of addition of amines to vinyl sulfone-modified hex-2-enopyranosides}, journal = {Journal of Organic Chemistry}, volume = {75}, number = {2}, year = {2010}, month = {JAN}, pages = {303-314}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Although phenylmethylene-protected vinyl sulfone-modified carbohydrate 2 alpha reacts with both primary and secondary amines in Michael fashion to afford aminated products, only primary amines react with the dibenzyl-protected 3 alpha, 6-O-trityl-protected 4 alpha, and unprotected 5 alpha, highlighting for the first time the remarkable influence of protecting, groups on the reaction patterns of vinyl sulfone-modified carbohydrates. The quantum chemical calculations suggest that the Michael addition of amines and proton transfer to vinyl sulfone-modified carbohydrates 2 alpha and 5 alpha are possible via relay process in a concerted mechanism. These calculations reveal that the addition of primary amines to vinyl sulfone-modified carbohydrate is preferential due to the low activation energy barriers, whereas the addition of secondary amines has relatively higher activation energy barriers. The theoretical conclusions are in line with the experimental observations.
}, issn = {0022-3263}, doi = {10.1021/jo902046g}, author = {Bhattacharya, Rahul and Kesharwani, Manoj K. and Manna, Chinmoy and Ganguly, Bishwajit and Suresh, Cheravakattu G. and Pathak, Tanmaya} } @article { ISI:000278798900006, title = {Expression profiling of various genes during the fruit development and ripening of mango}, journal = {Plant Physiology and Biochemistry}, volume = {48}, number = {6}, year = {2010}, month = {JUN}, pages = {426-433}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
Mango (Mangifera indica L. cv. Alphonso) development and ripening are the programmed processes; conventional indices and volatile markers help to determine agronomically important stages of fruit life (fruit-setting, harvesting maturity and ripening climacteric). However, more and precise markers are required to understand this programming; apparently, fruit{\textquoteright}s transcriptome can be a good source of such markers. Therefore, we isolated 18 genes related to the physiology and biochemistry of the fruit and profiled their expression in developing and ripening fruits, flowers and leaves of mango using relative quantitation PCR. In most of the tissues, genes related to primary metabolism, abiotic stress, ethylene response and protein turnover showed high expression as compared to that of the genes related to flavor production. Metallothionin and/or ethylene-response transcription factor showed highest level of transcript abundance in all the tissues. Expressions of mono- and sesquiterpene synthases and 14-3-3 lowered during ripening; whereas, that of lipoxygenase, ethylene-response factor and ubiquitin-protein ligase increased during ripening. Based on these expression profiles, flower showed better positive correlation with developing and ripening fruits than leaf. Most of the genes showed their least expression on the second day of harvest, suggesting that harvesting signals significantly affect the fruit metabolism. Important stages in the fruit life were clearly indicated by the significant changes in the expression levels of various genes. These indications complemented those from the previous analyses of fruit development, ripening and volatile emission, revealing the harmony between physiological, biochemical and molecular activities of the fruit. (C) 2010 Elsevier Masson SAS. All rights reserved.
}, keywords = {Mangifera indica, Stress response, Terpene metabolism, Transcriptome analysis}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2010.02.012}, author = {Pandit, Sagar S. and Kulkarni, Ram S. and Giri, Ashok P. and Koellner, Tobias G. and Degenhardt, Joerg and Gershenzon, Jonathan and Gupta, Vidya S.} } @article { ISI:000275363900023, title = {Fabrication, characterization and electrochemical performance of single strand carbon fiber prepared by catalytic chemical vapor decomposition method}, journal = {Electrochimica Acta}, volume = {55}, number = {6}, year = {2010}, month = {FEB}, pages = {2022-2028}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Preparation, fabrication and voltammetric characterizations of a single strand of carbon fiber (SSCF) electrode and their potential applications for biosensor are presented. SSCFs of diameter ca. 10 +/- 2 mu m and few millimeters in length are prepared by catalytic chemical vapor decomposition (CCVD) method. Voltammetry with potassium ferricyanide. alpha-methylferrocene methanol and hexaammineruthenium(III) chloride on SSCF electrode are used as bench marks to validate the electrode properties. Quasi-steady state voltammograms obtained were fitted into a cylindrical diffusion model From which, the standard rate constant (k(0)) and electron transfer coefficient (alpha) are obtained. The use of SSCF electrode is demonstrated for the voltammetric detection of the micromolar quantity of dopamine in the presence of large excess (ca. 200 times) of ascorbic acid, without any fouling of electrode surface. The kinetics of electron transfer are investigated. (C) 2009 Elsevier Ltd All rights reserved.
}, keywords = {alpha-Methylferrocene methanol, Ascorbic acid, Catalytic chemical vapor decomposition (CCVD), Cylindrical diffusion, dopamine, Hexaammineruthenium(III) chloride, Single strand carbon fiber (SSCF) electrode}, issn = {0013-4686}, doi = {10.1016/j.electacta.2009.11.025}, author = {Joshi, Vrushali S. and Gokhale, Suresh P. and Patil, Kashinath R. and Haram, Santosh K.} } @article { ISI:000284238000010, title = {Fabrication of homogeneous nanoparticle/nanoneedle BaTiO3 and Ba0.8Sr0.2TiO3 smooth thin films by simple dip coating}, journal = {International Journal of Nanotechnology}, volume = {7}, number = {9-12, SI}, year = {2010}, month = {DEC}, pages = {919-931}, publisher = {INDERSCIENCE ENTERPRISES LTD}, address = {WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 896, CH-1215 GENEVA, SWITZERLAND}, abstract = {
Ferroelectric BaTiO3 (BTO) and Ba0.8Sr0.2TiO3 (BSTO) thin film materials have been successfully prepared by sol-gel processing and simple dip coating on glass and silicon supports. Above thin films were characterised by x-ray diffraction (XRD), Raman spectroscopy, photoelectron spectroscopy, thermal analysis, atomic force microscopy (AFM) and spectroscopic ellipsometry. Phase identification of BaTiO3 and Ba0.8Sr0.2TiO3 was performed by XRD. XRD and Raman spectroscopy investigations demonstrate that thc Ba0.8Sr0.2TiO3 film exhibits tetragonal structure. AFM analysis demonstrates the elongated nanospherical particles on glass substrate and nanowires on silicon substrate, which represent a strong influence of the crystallinity of underlying substrate on the grain morphology in this technique. The thin films on both the substrates are uniformly coated without any pinhole to significant area (similar to 2.5 cm(2)), and this method might be extended to large area uniform coating. Spectroscopic ellipsometric measurements reveal the exact thickness, refractive index and extinction coefficient of the thin films.
}, keywords = {barium strontium titanate, barium titanate, dip coating, fabrication, ferroelectric material, large area coating, nanotechnology, thin film}, issn = {1475-7435}, author = {Saini, Mamta and Vivekanand, K. and Poddar, Pankaj and Murty, K. V. G. K. and Thushara, K. S. and Gopinath, Chinnakonda S.} } @article { ISI:000285413300005, title = {Fabrication of In-doped SnO2 nanowire arrays and its field emission investigations}, journal = {Journal of Experimental Nanoscience}, volume = {5}, number = {6}, year = {2010}, month = {DEC}, pages = {PII 931283663}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
The field emission of In-doped SnO2 wire array has been performed in parallel plate diode configuration. A maximum current density of 60 mu A/cm2 is drawn from the emitter at an applied field of 4 V/mu m. The nonlinearity in the Fowler-Nordheim plot, characteristics of semiconductor emitter has been observed and explained on the basis of electron emission from both the conduction and the valence bands. The current stability recorded at a preset value of 1 mu A is observed to be good. The high emission current density, good current stability and mechanically robust nature of the wires offer unprecedented advantages as promising cold cathodes for many potential applications based on field emission.
}, keywords = {cold cathodes, device, Doping, field emission, Nanowires, SnO2}, issn = {1745-8080}, doi = {10.1080/17458081003671683}, author = {Bhise, Ashok B. and Late, Dattatray J. and Sathe, B. and More, Mahendra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Joag, Dilip S.} } @article { ISI:000286862600011, title = {Facile enantioselective synthesis of enantiomerically pure (R)-phenoxybenzamine hydrochloride using the hydrolytic kinetic resolution method}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {23}, year = {2010}, month = {DEC}, pages = {2825-2829}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A practical and highly efficient enantioselective synthesis of (R)-phenoxybenzamine hydrochloride has been described for the first time using Jacobsen{\textquoteright}s hydrolytic kinetic resolution of a terminal epoxide as a key step and source of chirality. (C) 2010 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.11.011}, author = {Nikalje, Milind D. and Sasikumar, Murugesan and Muthukrishnan, Murugan} } @article { ISI:000285370100022, title = {Facile enantioselective synthesis of (S)-N-(5-chlorothiophene-2-sulfonyl)-beta,beta-diethylalaninol via proline-catalyzed asymmetric alpha-aminooxylation and alpha-amination of aldehyde}, journal = {Tetrahedron Letters}, volume = {51}, number = {50}, year = {2010}, month = {DEC}, pages = {6565-6567}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A high-yielding enantioselective synthesis of the bioactive (S)-N-(5-chlorothiophene-2-sulfonyl)beta,beta-diethylalaninol (1), a Notch-1-sparing gamma-secretase inhibitor metabolite (with EC50 = 28 nM) effective in reduction of All production in vivo, has been realized starting from readily available 3-pentanone. The key steps of the synthesis are proline-catalyzed alpha-aminooxylation and alpha-amination of aldehyde: the latter contributing an overall yield of 45.2\% and 98\% ee. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {alpha-Amination, alpha-Aminooxylation, Alzheimer{\textquoteright}s disease, Amino alcohol, Proline}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.10.029}, author = {Rawat, Varun and Chouthaiwale, Pandurang V. and Chavan, Vilas B. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000284018100044, title = {Facile synthesis of N- and S-incorporated nanocrystalline TiO2 and direct solar-light-driven photocatalytic activity}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {45}, year = {2010}, month = {NOV}, pages = {19473-19482}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Sulfur- and nitrogen-incorporated mesoporous TiO2 (SNT) nanocomposites have been synthesized by a template-free homogeneous coprecipitation technique. The above nanocomposites have been thoroughly characterized by physicochemical and spectroscopy methods to explore the structural, electronic, and optical properties. The photocatalytic activities of the catalysts were evaluated for the degradation of methyl orange and phenol under direct solar light. SNT shows about a 2-fold higher photocatalytic activity than singly N-doped or S-doped mesoporous TiO2 and 3-fold higher than Degussa P25. The higher activity might be attributed to the synergetic interaction of sulfate and nitrogen with the TiO2 lattice. N-Ti-O and O-Ti-N-O environments are responsible for a red shift, and the sulfate group on TiO2 acts as a cocatalyst, for increasing surface acidity as well as for sustaining the redox cycles for high stability.
}, issn = {1932-7447}, doi = {10.1021/jp1083345}, author = {Naik, Brundabana and Parida, K. M. and Gopinath, Chinnakonda S.} } @article { ISI:000277129300005, title = {Facile synthesis of N-substituted maleimides}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {49}, number = {4}, year = {2010}, month = {APR}, pages = {487-488}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
A simple and efficient method for the synthesis of N-substituted malemides from the corresponding maleamie acids under the phase transfer catalysis has been described
}, keywords = {Maleamic acids, maleimides, phase transfer catalysis, synthesis}, issn = {0376-4699}, author = {Deshpande, Sunita R. and Maybhate, Shailaja P. and Likhite, Anjali P. and Chaudhary, Preeti M.} } @article { ISI:000285081100050, title = {Ferrocene-Bis(thymine/uracil) conjugates: base pairing directed, spacer dependent self-assembly and supramolecular packing}, journal = {Journal of Organic Chemistry}, volume = {75}, number = {24}, year = {2010}, month = {DEC}, pages = {8705-8708}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
X-ray crystallographic studies of methylene linked Ferrocene-bis(thymine/uracil) conjugates Fc(T:T)m and Fc(U:U)(M) reveal base dependent 2-D supramolecular assemblies generated via wobble self-pairing for bis-thymine and reverse wobble self-pairing for bis-uracil conjugates, differing in architecture from the corresponding butylene spacer linked conjugates
}, issn = {0022-3263}, doi = {10.1021/jo101813z}, author = {Patwa, Amit N. and Gonnade, Rajesh G. and Kumar, Vaijayanti A. and Bhadbhade, Mohan M. and Ganesh, Krishna N.} } @article { ISI:000277834300107, title = {Field dependence of the magnetocaloric effect in core-shell nanoparticles}, journal = {Journal of Applied Physics}, volume = {107}, number = {9}, year = {2010}, note = {11th Joint MMM-Intermag Conference, Washington, DC, JAN 18-22, 2010}, month = {MAY}, pages = {09A902}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
The field dependence of the magnetic entropy change peak at the low temperature surface spin freezing transition in chemically synthesized, monodispersed Co, Co-Ag, and Ni-Ag core-shell nanoparticles is studied, with the aim of gaining insight into the critical exponents of this transition. It is evidenced that although the magnitude of the peak entropy change and position of the peak can be tuned by changing the composition and nature (metallic or organic) of the shell and surfactant layers, the characteristics of the spin freezing transition are not altered. The field dependence of the refrigerant capacity also confirms this finding. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3335514]
}, issn = {0021-8979}, doi = {10.1063/1.3335514}, author = {Franco, V. and Conde, A. and Sidhaye, Deepti and Bhagavatula L. V. Prasad and Poddar, P. and Srinath, S. and Phan, M. H. and Srikanth, H.} } @article { ISI:000273204100059, title = {Flexible microwave absorber based on nickel ferrite nanocomposite}, journal = {Journal of Alloys and Compounds}, volume = {489}, number = {1}, year = {2010}, month = {JAN}, pages = {297-303}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Flexible magnetic composite materials were prepared by incorporating precharacterized nickel ferrite nanoparticles in a natural rubber matrix. The complex dielectric permittivity and magnetic permeability of the composites were measured at different microwave frequencies using the cavity perturbation technique. A steady increase in dielectric permittivity was observed with increase in filler concentration. Maxwell-Garnett mixture equations were employed to model the effective permittivity and permeability of the composite. Reflection loss was estimated by employing the model of single layer absorber backed with a perfect conductor. Reflection loss minima of -5.9 dB at 3.2 GHz for 12 mm thick rubber ferrite composite sheet is obtained in the S-band while a loss up to -16 dB could be achieved at 9.5 GHz in the X-band. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Cavity perturbation, Complex permeability, Complex permittivity, Microwave absorber, Nanocomposites, Nickel ferrite}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.09.077}, author = {Sunny, Vijutha and Kurian, Philip and Mohanan, P. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000272071800042, title = {Flocculation of dimorphic yeast benjaminiella poitrasii is altered by modulation of NAD-glutamate dehydrogenase}, journal = {Bioresource Technology}, volume = {101}, number = {4}, year = {2010}, month = {FEB}, pages = {1393-1395}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A strategy to control flocculation is investigated using dimorphic yeast, Benjaminiella poitrasii as a model. Parent form of this yeast (Y) exhibited faster flocculation (11.1 min) than the monomorphic yeast form mutant Y-5 (12.6 min). Atomic force microscopy revealed higher surface roughness of Y (439.34 rms) than Y-5 (52 rms). Also, the former had a zeta potential of -65.97 +/- 3.45 as against -50.21 +/- 2.49 for the latter. Flocculation of both Y and Y-5 could be altered by supplementing either substrates or inhibitor of NAD-glutamate dehydrogenase (NAD-GDH) in the growth media. The rate of flocculation was promoted by alpha-ketoglutarate or isophthalic acid and decelerated by glutamate with a statistically significant inverse correlation to corresponding NAD-GDH levels. These interesting findings open up new possibilities of using NAD-GDH modulating agents to control flocculation in fermentations for easier downstream processing. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {Benjaminiella poitrasii, dimorphism, flocculation, NAD-glutamate dehydrogenase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2009.09.052}, author = {Joshi, C. V. and Ghormade, Vandana and Kunde, P. and Kulkarni, P. and Mamgain, H. and Bhat, Suresh K. and Paknikar, K. M. and Deshpande, Mukund V.} } @article { ISI:000272936000061, title = {Fluconazole analogues containing 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moieties, a novel class of anti-Candida agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {20}, number = {2}, year = {2010}, month = {JAN}, pages = {722-725}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
As a part of our program to develop new antifungal agents, a series of fluconazole analogues was designed and synthesized wherein one of the triazole moieties in fluconazole was replaced with 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moiety. The new chemical entities thus synthesized were screened against various fungi and it was observed that the compounds 4a and 4i are potent inhibitors of Candida strains. The structure-activity relationship for these compounds is discussed. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {antifungal, Benzothiazinone, Benzoxazinone, Fluconazole}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2009.11.071}, author = {Borate, Hanumant B. and Maujan, Suleman R. and Sawargave, Sangmeshwer P. and Chandavarkar, Mohan A. and Vaiude, Sharangi R. and Joshi, Vinay A. and Wakharkar, Radhika D. and Iyer, Ramki and Kelkar, Ramesh G. and Chavan, Subhash P. and Kunte, Sunita S.} } @article { ISI:000284635100022, title = {Fock space multi-reference coupled-cluster method for energies and energy derivatives}, journal = {Molecular Physics}, volume = {108}, number = {21-23, SI}, year = {2010}, month = {OCT}, pages = {PII 927961714}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
In this article, the development of Fock space multi-reference coupled-cluster method is reviewed. Molecular applications of the method for excitation and ionisation energies which took place at Quantum Theory Project have been discussed. Later developments of the method for energy derivatives have been presented along with pilot applications of molecular properties of radicals and excited states.
}, keywords = {coupled-cluster, difference energies, energy derivatives, Fock space, Multi-reference}, issn = {0026-8976}, doi = {10.1080/00268976.2010.522205}, author = {Pal, Sourav} } @article { ISI:000278451000017, title = {Formal synthesis of (+/-)-camptothecin via tricyclic lactone as key synthon}, journal = {Tetrahedron Letters}, volume = {51}, number = {23}, year = {2010}, month = {JUN}, pages = {3099-3101}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Formal synthesis of (+/-)-camptothecin via CDE tricyclic lactone employing tandem Michael addition, Dieckmann condensation and addition-elimination reaction as key steps starting from glycinate is described. (C) 2010 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.04.019}, author = {Chavan, Subhash P. and Dhawane, Abasaheb N. and Kalkote, Uttam R.} } @article { ISI:000283453700016, title = {Fowler-nordheim plot behavior and mechanism of field electron emission from ZnO tetrapod structures }, journal = {ACS Nano}, volume = {4}, number = {10}, year = {2010}, month = {OCT}, pages = {5585-5590}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Field emission measurements of current-voltage characteristics are reported for tetrapod structures of ZnO. The nonlinear Fowler-Nordheim (FN) plot is analyzed according to a model of calculation based on saturation of conduction band current and predominance of valence band current at high-field values. The simulated FN plot exhibits similar features to those observed experimentally. The model of calculation suggests that the slope variation of the FN plot, in the high-field and low-field regions, does not depend on the magnitude of saturation. Instead, it is a characteristic of the energy band structure and voltage-to-barrier-field conversion factor of the emitting material.
}, keywords = {field emission, Fowler-Nordheim plot, Nanostructures, nonlinearity, ZnO}, issn = {1936-0851}, doi = {10.1021/nn1008403}, author = {Al-Tabbakh, Ahmed A. and More, Mahendra A. and Joag, Dilip S. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article { ISI:000280574600029, title = {Free radical graft copolymerization of N-vinyl-2-pyrrolidone onto k-carrageenan in aqueous media and applications}, journal = {Carbohydrate Polymers}, volume = {82}, number = {2}, year = {2010}, month = {SEP}, pages = {424-431}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
In the present article, the graft copolymer of k-carrageenan with N-vinyl-2-pyrrolidone (NVP) has been synthesized using PMS/maleic acid as a redox initiator in aqueous medium and reaction conditions have been optimized to obtain maximum \% grafting ratio (\%G). The optimum conditions of maximum grafting have been found by varying the different parameters. On increasing the concentration of maleic acid and peroxymonosulphate from 1.6 x 10(-3) to 4.8 x 10(-3) mol dm(-3) and 0.6 x 10(-2) to 2.2 x 10(-2) mol dm(-3) respectively, the initially grafting parameters increased and after a certain range of concentration grafting parameters showed decreasing trend. The small increment of concentration in hydrogen ion causes increment in percentage grafting. It was observed that the grafting parameters increase as the concentration of N-vinyl-2-pyrrolidone increases up to 16 x 10(-2) mol dm(-3) after that it decreased. The optimum condition for maximum grafting has obtained at concentration 1.0 g dm(-3) of k-carrageenan at 40 degrees C and 120 min, respectively. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {flocculation, Graft copolymer, k-Carrageenan, Metal ion uptake, N-vinyl-2-pyrrolidone, swelling}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2010.04.080}, author = {Mishra, Madan Mohan and Sand, Arpit and Mishra, Dinesh Kumar and Yadav, Mithilesh and Behari, Kunj} } @article { ISI:000274954400005, title = {Gas-phase oxidant-free oxidation of cyclohexanol over V2O5-MoO3-M2O (M = Na, K, Cs) catalysts}, journal = {Indian Journal of Chemical Technology}, volume = {17}, number = {1}, year = {2010}, month = {JAN}, pages = {43-49}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
Oxidant-free oxidation (dehydrogenation) of cyclohexanol is carried out in a down-flow integral laboratory scale reactor using different alkali doped catalysts. The effect of reaction temperature, contact time (W/F) and doping of alkali metals is studied to check its effect on nature of prominent products of the reaction (cyclohexanone and cyclohexene). At lower temperature the cyclohexanone prevails whereas at higher temperature cyclohexene is observed in prominence. Acid-modified catalysts (with boron and phosphorous) facilitated cyclohexene selectivity whereas alkali modified catalysts facilitated cyclohexanone selectivity. Calcination of sodium modified catalyst at different temperatures under static condition affect characteristic phase intensity and cyclohexanone selectivity. XRD investigation showed formation of different inorganic phases as the characteristic of dopant. Cesium modified catalyst showed better dehydrogenation activity.
}, keywords = {Cyclohexanol, dehydration, Dehydrogenation, Electronegativity, V2O5-MoO3}, issn = {0971-457X}, author = {Vyawahare, Y. K. and Chumbhale, Vilas R. and Pardhy, S. A. and Samuel, V. and Aswar, A. S.} } @article { ISI:000283602000008, title = {General and concise asymmetric synthesis of sphingosine, safingol and phytosphingosines via tethered aminohydroxylation}, journal = {Organic \& Biomolecular Chemistry}, volume = {8}, number = {22}, year = {2010}, month = {SEP}, pages = {5074-5086}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel, practical and efficient enantioselective synthesis of sphingoid bases, L-threo-[2S,3S]-sphinganine (safingol), L-threo-[2S,3S]-sphingosine, L-arabino-[2R,3S,4R] and L-xylo-[2R,3S,4S]-C(18)-phytosphingosine is described. The synthetic strategy features the Sharpless kinetic resolution and tethered aminohydroxylation (TA) as the key steps.
}, issn = {1477-0520}, doi = {10.1039/c0ob00117a}, author = {Kumar, Pradeep and Dubey, Abhishek and Puranik, Vedavati G.} } @article { ISI:000281130600002, title = {General approach to 2,4-dialkyl-3-carboxybutyrolactones: an efficient synthesis of (+/-)-striatisporolide A and (+/-)-lichesterinic acid}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {49}, number = {8, SI}, year = {2010}, month = {AUG}, pages = {1071-1075}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
Starting from 2-alkylidene-3-methylsuccinimides, simple and efficient synthesis of the natural products striatisporolide A. lichesterinic acid and lichesterylic acid have been demonstrated via an acid catalyzed hydrolysis, esterification, OsO(4)-dihydroxylation and dehydrative cyclization pathway.
}, keywords = {2-Alkylidene-3-methylsuccinimides, dehydrative cyclizations, lichesterinic acid, OsO(4)-dihydroxylation, striatisporolide A, synthesis}, issn = {0376-4699}, author = {Patel, Ramesh M. and N. P. Argade} } @article { ISI:000208189304130, title = {Glycerine to renewable amino alcohol: reaction mechanism and kinetics of the catalytic reductive amination of hydroxyacetone}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {239}, year = {2010}, month = {MAR}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0065-7727}, author = {Arredondo, Victor M. and Gibson, Michael S. and Fairweather, Neil T. and Daniels, Angella C. and Kreuzer, David P. and Jaganathan, Rengaswamy} } @article { ISI:000283697400015, title = {Gold-catalyzed glycosidations: synthesis of 1,6-anhydro saccharides}, journal = {Tetrahedron Letters}, volume = {51}, number = {45}, year = {2010}, month = {NOV}, pages = {5912-5914}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Various 1,6-anhydro sugars are synthesized utilizing salient features of gold-catalyzed glycosidations. All the reactions occurred under mild conditions in the presence of 7 mol \% of AuBr(3) enabling easy synthesis of 1,6-anhydro sugars from corresponding 6-hydroxy propargyl/methyl monosaccharides, disaccharides, and trisaccharides in good yields. (C) 2010 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.09.004}, author = {Thadke, Shivaji A. and Hotha, Srinivas} } @article { ISI:000282200300012, title = {Gold-catalyzed glycosidations: unusual cleavage of the interglycosidic bond while studying the armed/disarmed effect of propargyl glycosides}, journal = {Tetrahedron Letters}, volume = {51}, number = {40}, year = {2010}, month = {OCT}, pages = {5269-5272}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Armed/disarmed effect of propargyl glycosides in the presence of AuBr(3) is studied. Observed that oxophilic AuBr(3) cleaves interglycosidic bond of an armed disaccharide resulting in the formation of a disaccharide and a 1,6-anhydro sugar. Trisaccharides were obtained after fine tuning the reactivity of the glycosyl donor with different protecting groups. (C) 2010 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.07.157}, author = {Kayastha, Abhijeet K. and Hotha, Srinivas} } @article { ISI:000273051800037, title = {Halide ion controlled shape dependent gold nanoparticle synthesis with tryptophan as reducing agent: enhanced fluorescent properties and white light emission}, journal = {Chemical Physics Letters}, volume = {484}, number = {4-6}, year = {2010}, month = {JAN}, pages = {271-275}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We report the synthesis of Au nanoparticles in presence of two surfactants cetyltrimethyl ammonium chloride (CTAC) and cetyltrimethyl ammonium bromide (CTAB) by reducing Au(3+) ions with tryptophan. Interestingly, triangular shaped particles were seen to form in presence of CTAB, while spherical nanoparticles resulted with CTAC. The highlight of this result is the white light emission from the Au triangles obtained when CTAB is used. These results are supported by lifetime measurements and fluorescence. (C) 2009 Elsevier B. V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2009.11.052}, author = {Kasture, Manasi and Sastry, Murali and Bhagavatula L. V. Prasad} } @article { ISI:000279843200010, title = {Harnessing structure-activity relationship to engineer a cisplatin nanoparticle for enhanced antitumor efficacy}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {28}, year = {2010}, month = {JUL}, pages = {12435-12440}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {
Cisplatin is a first line chemotherapy for most types of cancer. However, its use is dose-limited due to severe nephrotoxicity. Here we report the rational engineering of a novel nanoplatinate inspired by the mechanisms underlying cisplatin bioactivation. We engineered a novel polymer, glucosamine-functionalized polyisobutylene-maleic acid, where platinum (Pt) can be complexed to the monomeric units using a monocarboxylato and an O {\textendash}\> Pt coordinate bond. We show that at a unique platinum to polymer ratio, this complex self-assembles into a nanoparticle, which releases cisplatin in a pH-dependent manner. The nanoparticles are rapidly internalized into the endolysosomal compartment of cancer cells, and exhibit an IC50 (4.25 + 0.16 mu M) comparable to that of free cisplatin (3.87 +/- 0.37 mu M), and superior to carboplatin (14.75 +/- 0.38 mu M). The nanoparticles exhibited significantly improved antitumor efficacy in terms of tumor growth delay in breast and lung cancers and tumor regression in a K-ras(LSL/+)/Pten(fl/fl) ovarian cancer model. Furthermore, the nanoparticle treatment resulted in reduced systemic and nephrotoxicity, validated by decreased biodistribution of platinum to the kidney as quantified using inductively coupled plasma spectroscopy. Given the universal need for a better platinate, we anticipate this coupling of nanotechnology and structure-activity relationship to rationally reengineer cisplatin could have a major impact globally in the clinical treatment of cancer.
}, keywords = {cancer, chemotherapy, nanomedicine}, issn = {0027-8424}, doi = {10.1073/pnas.1007026107}, author = {Paraskar, Abhimanyu S. and Soni, Shivani and Chin, Kenneth T. and Chaudhuri, Padmaparna and Muto, Katherine W. and Berkowitz, Julia and Handlogten, Michael W. and Alves, Nathan J. and Bilgicer, Basar and Dinulescu, Daniela M. and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article { ISI:000279939100026, title = {H-beta zeolite: an efficient, reusable catalyst for one-pot synthesis of isatins from anilines}, journal = {Acta Chimica Slovenica}, volume = {57}, number = {2}, year = {2010}, month = {JUN}, pages = {466-469}, publisher = {SLOVENSKO KEMIJSKO DRUSTVO}, address = {HAJDRIHOVA 19, LJUBLJANA 1000, SLOVENIA}, abstract = {
We describe a simple and highly efficient procedure for the single-step preparation of isatins from the commercially available anilines using H-beta zeolite as a truly heterogeneous catalyst. H-beta zeolite is readily separated from reaction mixture by simple filtration and reused several times without considerable loss of activity.
}, keywords = {Anilines, H-beta zeolite, heterogeneous catalyst, isatins}, issn = {1318-0207}, author = {Raj, I. Victor Paul and Shaikh, Tanveer Mahamadali and Sudalai, Arumugam} } @article { ISI:000284266200038, title = {Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction}, journal = {Crystengcomm}, volume = {12}, number = {12}, year = {2010}, month = {Aug}, pages = {4184-4197}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The crystal structure of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthoformate (1) which underwent a facile intermolecular benzoyl transfer reaction in the solid state, revealed a helical assembly of molecules along the two-fold screw axis via O-H center dot center dot center dot O hydrogen bond bringing the electrophile (C=O) and the nucleophile (-OH) in close proximity along the helical axis. However, structurally related racemic 2,6-di-O-(p-halobenzoyl)-myo-inositol 1,3,5-orthoformates (bromo (2) and chloro (3)) produced triclinic dimorphs (both P (1) over bar) when crystallized from methanol and ethyl acetate. Molecules in either form did not assemble spirally (like 1), and instead exhibited a one-dimensional isostructurality, bridging O-H center dot center dot center dot O linked identical molecular strings via C-H center dot center dot center dot O interactions across the inversion center. However, the molecules of 2 and 3 assembled in a helical manner similar to 1 with inclusion of solvent molecules in the crystal lattice when crystallized from other common organic solvents. Remarkably, in all the solvates the host molecules formed strikingly similar helices around the crystallographic 2(1)-screw axis through O-H center dot center dot center dot O bond involving the -OH group and carbonyl oxygen of the equatorial C2-O-benzoyl group. Comparison of the crystal structure of dimorphs and the solvatomorphs revealed that the solvent molecules, which interact with the orthoformate-bridge, trigger the helix formation of the host. The difference in the crystal structures of solvatomorphs arises in the interlinking of the neighbouring helices, which creates voids of different sizes to accommodate the solvent molecules. All the solvates crystallized in the monoclinic system distributed over three different space groups P2(1)/n, P2(1)/c and C2/c. In the P2(1)/n system, the adjacent helices are linked via C-X center dot center dot center dot O contacts, in P2(1)/c via C-H center dot center dot center dot X (X Cl, Br) contacts and in C2/c via short X center dot center dot center dot X contacts (X = Cl). The helical organization achieved through solvent mediation and inclusion is of significance in creating molecular packing for intermolecular acyl transfer reactions in crystals.
}, issn = {1466-8033}, doi = {10.1039/b924482d}, author = {Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article { ISI:000277199300002, title = {Heterofunctional nanomaterials: fabrication, properties and applications in nanobiotechnology}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {10}, number = {7}, year = {2010}, month = {JUL}, pages = {4124-4134}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Nanotechnology and nanoengineering includes a novel class of materials that are gaining significant recognition to pursuit technological/biological advances in diverse fields including, biology, medicine, electronics, engineering etc. due to their unique size- and shape-dependent intrinsic physicochemical, optoelectronic and biological properties. Characteristics such as high surface to volume ratios and quantum confinement results in materials that are qualitatively different from their bulk counterparts. These properties not only make them suitable for numerous applications in existing and emerging technologies, but also have outstanding role in many fields that provide inspiration for their fabrication. In Today{\textquoteright}s trend nanotechnology is spreading vigorously where researchers all over the world are focusing towards their synthesis and applications. Therefore, this review is helpful for the researchers in the field of nanobiotechnology/nanomedicine, providing a brief overview of nanotechnology, covering nanomaterial synthesis methods (with emphasis on environmentally benign greener approaches), their properties, and applications; such as drug delivery, bio-labeling, nanotoxicity etc. The influence of synthesis methods and surface coatings/stabilizing agents and their subsequent applications is discussed, and a broad outline on the biomedical applications into which they have been implemented is also presented.
}, keywords = {Bio-Fabrication, Bio-Labeling, Cell imaging, drug delivery, Greener Synthesis, Nanomaterials, Nanotoxicity}, issn = {1533-4880}, doi = {10.1166/jnn.2010.2944}, author = {Kumar, S. Anil and Khan, Mohammad Islam} } @article { ISI:000273933800010, title = {Heterogenized copper catalysts for the amination of arylhalide: synthesis, characterization and catalytic applications}, journal = {Applied Catalysis A-General}, volume = {372}, number = {1}, year = {2010}, month = {JAN}, pages = {73-81}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
This research investigated the synthesis, characterization and catalytic activity of heterogenized copper complexes for the selective amination of aryl halides. Amination reactions using homogeneous copper catalyst systems are not generally selective and it is also difficult to recover the catalyst from the homogeneous system for recycling. To overcome these difficulties, our efforts were directed towards the development of cheaper heterogeneous catalyst systems, which can be easily recovered and recycled. Heterogenized analogs of the homogenous Cu complexes were prepared using two methods: (a) encapsulation of copper complexes in zeolite-Y and (b) tethering of copper complexes on various supports like zeolite-Y, silica, charcoal, or clay. The encapsulated and tethered copper catalysts on zeolite-Y were characterized using EPR, Diffused reflectance UV-vis, XRD, IAS, ICPES, SEM, and TEM. The results confirmed that the copper complexes were truly heterogenized in zeolite-Y support. Encapsulated and tethered copper complexes were tested for amination of aryl iodide. The effects of various reaction parameters were examined using tethered Cu(Phen)(PPh(3))Br-PTA-Y catalyst to determine optimum conditions. A recycle study of encapsulated and tethered Cu catalyst was carried out to test their robustness for possible commercial exploitation. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Amination, C-N coupling, Copper, heterogeneous catalysis, mesoporous materials}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.10.013}, author = {Patil, Nandkumar M. and Gupte, Sunil P. and Chaudhari, Raghunath V.} } @article { ISI:000285772600015, title = {Heterogenized Ru(II) phenanthroline complex for chemoselective hydrogenation of diketones under biphasic aqueous medium}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {333}, number = {1-2}, year = {2010}, month = {DEC}, pages = {114-120}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The chemoselective hydrogenation of acetylacetone to 4-hydroxypentan-2-one over immobilized ruthenium phenanthroline metal complexes in amino functionalized MCM-41 in biphasic aqueous reaction medium was investigated. The catalyst was characterized by XRD, TEM, surface analysis, FT-IR and UV-vis to understand the morphology, complex geometry, and XPS such that the oxidation state of the metal complex inside the MCM-41 framework could be understood. The use of water as a solvent, not only gives high activity and selectivity for hydrogenation of acetylacetone, but also gives a path for an environmentally safer process. The optimizations of ligand, metal to ligand ratio, the choice of solvent and other reaction parameters were studied in detail. The heterogeneous catalytic system gave a higher degree of chemoselectivity (99\%) towards 4-hydroxypentan-2-one as compared to homogeneous catalyst when hydrogenation was carried out using water as a solvent. The immobilized ruthenium-phenanthroline complex was easily separated and reused. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {4-Hydroxypentan-2-one, acetylacetone, Chemoselective, Diketone, Hydrogenation, Phenanthroline, ruthenium, Water}, issn = {1381-1169}, doi = {10.1016/j.molcata.2010.10.005}, author = {Deshmukh, Amit A. and Kinage, Anil K. and Kumar, Rajiv and Meijboom, Reinout} } @article { ISI:000280145000055, title = {High aspect ratio nanoscale multifunctional materials derived from hollow carbon nanofiber by polymer insertion and metal decoration}, journal = {Chemical Communications}, volume = {46}, number = {30}, year = {2010}, month = {JUN}, pages = {5590-5592}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel high aspect ratio material which can simultaneously display multiple functions such as proton and electron conductivity and electrocatalytic activity has been developed by incorporating both platinum nanoparticles and phosphoric acid doped polybenzimidazole along the inner and outer surfaces of a hollow carbon nanofiber.
}, issn = {1359-7345}, doi = {10.1039/c0cc00571a}, author = {Balan, Beena K. and Kale, Vinayak S. and Aher, Pradnya P. and Shelke, Manjusha V. and Pillai, Vijayamohanan K. and Kurungot, Sreekumar} } @article { ISI:000281153600066, title = {High current density, low threshold field emission from functionalized carbon nanotube bucky paper}, journal = {Applied Physics Letters}, volume = {97}, number = {7}, year = {2010}, month = {AUG}, pages = {073102}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Field emission studies of bucky paper of multiwalled carbon nanotubes (MWNTs), prepared after microwave (MW) assisted acid functionalization are reported along with a comparison with that of {\textquoteleft}{\textquoteleft}as-grown{\textquoteright}{\textquoteright} sample. MW treated bucky papers reveal an interesting linear field emission behavior in Fowler-Nordheim plot. The field emission currents at preset value are found to be remarkably stable over a period of more than 3 h sustaining current densities of 4.9 mA/cm(2) and 8.5 mA/cm(2) for {\textquoteleft}{\textquoteleft}as-grown{\textquoteright}{\textquoteright} and functionalized sample, respectively. The enhancement in the field emission due to functionalization has been discussed in terms of tip opening and defect induced charge transport caused by intershell and intertubular interaction. (C) 2010 American Institute of Physics. [doi:10.1063/1.3479049]
}, keywords = {Carbon nanotubes, current density, field emission, fullerenes}, issn = {0003-6951}, doi = {10.1063/1.3479049}, author = {Kakade, Bhalchandra A. and Pillai, Vijayamohanan K. and Late, Dattatray J. and Chavan, Padmakar G. and Sheini, Farid J. and More, Mahendra A. and Joag, Dilip S.} } @article { ISI:000281129100046, title = {High pt utilization electrodes for polymer electrolyte membrane fuel cells by dispersing pt particles formed by a preprecipitation method on carbon {\textquoteleft}{\textquoteleft}polished{\textquoteright}{\textquoteright} with polypyrrole}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {34}, year = {2010}, month = {SEP}, pages = {14654-14661}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Pt utilization on carbon black (CB) has been significantly improved by initially utilizing polypyrrole (PPy) as a moiety to {\textquoteleft}{\textquoteleft}polish{\textquoteright}{\textquoteright} the carbon surface and subsequently by dispersing Pt particles formed by a preprecipitation process to minimize their migration into the geometrically restricted areas of the carbon surface. This process strategy has helped to significantly extend the triple-phase boundary as a greater number of Pt particles comes in direct contact with Nafion, leading to a substantial improvement in the overall catalyst utilization. Preliminary analyses such as IR, thermogravimetric analysis, and N(2) sorption confirmed the presence of PPy on the surface. Approximately 50\% reduction in the surface area of CB after the controlled in situ polymerization of pyrrole monomer on the carbon surface indicated preferential filling and coverage of pores and other geometrically restricted pockets of carbon surface. On the other hand, by converting Pt into colloids in the preprecipitation method prior to their reduction, the platinum particles are forced to stay on the hybrid support; a major part of which otherwise would have been migrated into the surface pores and defect sites. Platinum particle size on these hybrid supports is 2 times higher than the catalyst prepared by polyol process. However, the electroactive surface area and mass activity are 2 times higher than that of the Pt particles prepared by polyol on hybrid material and are also significantly higher than that of the conventional electrocatalysts prepared by the polyol method. At 0.8 V, the kinetic current density (j(k)) of Pt/C-PPy-Pre obtained from the Koutecky-Levich plot is 1.5 and 2.5 times higher than that of catalysts prepared by the polyol method on PPy-coated carbon and Vulcan XC-72 carbon, respectively. Almost 210 and 160 mW cm(-2) improvement for the maximum power density, respectively with oxygen and air, was obtained with the modified system in comparison to the conventional system when the single cell evaluations were carried out at 60 degrees C with a Pt loading of 0.5 mg cm(-2) in the anode and cathode sides. This enhancement in the cell performance under the two different oxygen partial pressure conditions clearly emphasizes the improved oxygen reduction reaction (ORR) and mass-transfer characteristics of the hybrid electrode material compared to the other catalysts.
}, issn = {1932-7447}, doi = {10.1021/jp104664t}, author = {Unni, SreeKuttan M. and Dhavale, Vishal M. and Pillai, Vijayamohanan K. and Kurungot, Sreekumar} } @article { ISI:000283502100037, title = {High room temperature ferromagnetic moment of Ho substituted nanocrystalline BiFeO3}, journal = {Applied Physics Letters}, volume = {97}, number = {16}, year = {2010}, month = {OCT}, pages = {162504}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Magnetic properties of trivalent rare-earth ion substituted nanocrystalline BiFeO3 have been studied for the compositions Bi0.875R0.125FeO3 (R=La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, and Yb). All compositions show ferromagnetic characteristics at room temperature, with enhanced magnetization after substitution. Very high magnetization (at 6 T), almost three times that of the unsubstituted composition, is observed for R=Ho, and highest remnant magnetization is obtained for R=Nd and Sm. The magnetic transition temperature is increased by similar to 20 K for R=La. The results show that it is possible to tune the magnetic characteristics of the nanocrystalline multiferroic BiFeO3 by the choice of the rare-earth ion. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3502481]
}, issn = {0003-6951}, doi = {10.1063/1.3502481}, author = {Thakuria, Pankaj and Joy, Pattayil Alias} } @article { ISI:000281323300012, title = {Highly selective claisen-schmidt condensation catalyzed by silica chloride under solvent-free reaction conditions}, journal = {Synthetic Communications}, volume = {40}, number = {19}, year = {2010}, month = {AUG}, pages = {PII 926308853}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Silica chloride serves as a useful catalyst in the cross-aldol condensation, leading to the synthesis of a wide variety of bisarylidene cycloalkanones and chalcones. The catalyst showed high selectivity; self-condensation of ketones was not observed.
}, keywords = {Aldol reaction, arylidene cycloalkanone, Claisen-Schmidt, condensation, silica chloride}, issn = {0039-7911}, doi = {10.1080/00397910903340637}, author = {Hazarkhani, Hassan and Kumar, Pradeep and Kondiram, Kadam Sachin and Gadwal, Ikhlas M. Shafi} } @article { ISI:000276052700007, title = {Highly sensitive and fast responding CO sensor based on Co3O4 nanorods}, journal = {Talanta}, volume = {81}, number = {1-2}, year = {2010}, month = {APR}, pages = {37-43}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Co3O4 nanorods (diameters similar to 6-8 nm and lengths similar to 20-30 nm) were synthesized for the first time through a simple co-precipitation/digestion method by calcination of cobalt hydroxyl carbonate in air and their CO gas sensing properties were investigated. The Co3O4 nanorods exhibited outstanding gas sensing characteristics such as, higher gas response (similar to 6.55-50 ppm CO gas at 250 degrees C), extremely rapid response (similar to 3-4s), fast recovery (similar to 5-6s), excellent repeatability, good selectivity and lower operating temperature (similar to 250 degrees C). Furthermore, the Co3O4 nanorods are able to detect up to 5 ppm for CO with reasonable sensitivity (similar to 3.32) at an operating temperature 250 degrees C and they can be reliably used to monitor the concentration of CO over the range (5-50 ppm). The experimental results clearly demonstrate the potential of using the Co3O4 nanorods as sensing material in the fabrication of CO sensors. Plausible CO sensing mechanism of the Co3O4 nanorods is also discussed. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {CO sensor, Co3O4 nanorods, HRTEM, Semiconductor gas sensors, XPS, XRD}, issn = {0039-9140}, doi = {10.1016/j.talanta.2009.11.034}, author = {Patil, Dewyani and Patil, Pradip and Subramanian, Vijayanand and Joy, Pattayil Alias and Potdar, Hari S.} } @article {42746, title = {Highly stable adamantyl-substituted pincer-ligated iridium catalyst for alkane dehydrogenation}, journal = {Organometallics}, volume = {29}, year = {2010}, month = {MAY}, pages = {2702{\textendash}2709}, abstract = {
The adamantyl-substituted pincer-ligand precursor AdPCP-H [(AdPCP = κ3-C6H3-2,6-(CH2PAd2)2); Ad = 1-adamantyl] has been synthesized by the reaction of 1,3-dibromoxylene with di-1-adamantylphosphine in the presence of triethylamine. Treatment of AdPCP-H with [Ir(COD)Cl]2 (COD = 1,5-cyclooctadiene) affords the pincer-ligated complex (AdPCP)IrHCl, which was crystallographically characterized. Dehydrohalogenation of (AdPCP)IrHCl either with LiBEt3H or with KOtBu, under hydrogen atmosphere, yields the hydrides (AdPCP)IrH2 and (AdPCP)IrH4. (AdPCP)IrH2 catalyzes dehydrogenation of alkanes with a level of activity comparable to that of the previously reported (tBuPCP)IrH2, while it is thermally much more robust than the tBuPCP analogue, as well as iPrPCP or tBuPOCOP pincer complexes.
}, doi = {10.1021/om100145q}, author = {Punji, Benudhar and Emge, Thomas J. and Goldman, Alan S.} } @article { ISI:000283463600060, title = {Hydroformylation of 1-octene using [Bmim][PF6]-decane biphasic media and rhodium complex catalyst: thermodynamic properties and kinetic study}, journal = {Industrial \& Engineering Chemistry Research}, volume = {49}, number = {21}, year = {2010}, note = {21st International Symposium on Chemical Reaction Engineering (ISCRE 21), Philadelphia, PA, JUN 13-16, 2010}, month = {NOV}, pages = {10698-10706}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A chemical reaction engineering approach is reported to investigate the biphasic hydroformylation of I-octene using [bmim][PF6] ionic liquid. It is based both on a process parameter investigation (temperature, concentrations, and pressures) and a thermodynamic study of the reaction medium (gas liquid and liquid liquid equilibria). Initial rate data show complex behavior with respect to operating parameters and are best described by a rate equation based on a mechanistic model. Complete reaction scheme including isomerization is then modeled accounting from the time dependent concentration of the organic substrates measured in organic phase and recalculated in ionic liquid phase from liquid liquid equilibria.
}, issn = {0888-5885}, doi = {10.1021/ie100222k}, author = {Sharma, Amit and Lebigue, Carine Julcour and Deshpande, Raj Madhukar and Kelkar, Ashutosh A. and Delmas, Henri} } @article { ISI:000284443200005, title = {Hydrogen evolution by a low cost photocatalyst: bauxite residue}, journal = {International Journal of Hydrogen Energy}, volume = {35}, number = {20, SI}, year = {2010}, month = {OCT}, pages = {10859-10866}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Bauxite residue or red mud which is an aluminium industry waste has been used as a novel low cost photocatalyst active in visible light for the generation of hydrogen from water. The driving force behind the use of bauxite residue as a photocatalyst is not only the fact that it is widely available but also bauxite residue is a fine grained mixture of oxides and hydroxides (Fe(2)O(3), TiO(2), SiO(2), and Al(2)O(3), Al(OH)3). The photocatalyst was characterized with respect to BET-SA, UV-DRS, XRD, SEM and EDX. Hydrogen yield of 4600 mu mol/h/g of TiO(2) was achieved as compared to hydrogen evolution rate of 164 mu mol/h/g of TiO(2) for commercially available titania Degussa P-25. However, the hydrogen evolution was 20.85 mu mol/h/g of photocatalyst. The results suggest that bauxite residue appears to be a novel low cost photocatalyst. The various operating conditions of photocatalytic hydrogen generation were studied which include amount of catalyst, illumination intensity, illumination time, effect of various sacrificial donors etc. (C) 2009 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Aluminium industry waste, Bauxite residue, Hydrogen generation, Red mud, Sacrificial donors}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2009.10.075}, author = {Mangrulkar, Priti A. and Joshi, Meenal V. and Kamble, Sanjay P. and Labhsetwar, Nitin K. and Rayalu, Sadhana S.} } @article { ISI:000277423200006, title = {Hydrophobically modified poly(vinyl alcohol) using alkoxy-substituted methyl gallate: synthesis and rheology}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {48}, number = {10}, year = {2010}, month = {MAY}, pages = {1054-1063}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Hydrophobically modified poly(vinyl alcohol) (HMPVA) polymers were synthesized by potassium t-butoxide-catalyzed reaction of PVA with methyl 3,4,5-tris(n-octyloxy) benzoate (MGC(8))/3,4,5-tris(n-dodecyloxy) benzoate (MGC(12)) and 1,3-propane sultone. The concentration of 1,3-propane sultone was kept constant at 10 mol \%. and that of MGC(8) (2, 3, and 4 mol \%)/MGC(12) (2 and 3 mol \%) was varied to obtain HMPVAs with different hydrophobic contents. The incorporation of MGC(8)/MGC(12) and 1,3-propane sultone onto HMPVA was confirmed by NMR spectroscopy. Rheological properties of aqueous solutions also confirmed the presence of hydrophobic and charged functional groups on HMPVAs. In the semidilute regime, the specific viscosity of HMPVAs followed concentration scaling that is typical of polyelectrolytes. At higher concentrations, the HMPVA solutions with 3 and 4 mol \% of MGC(8) exhibited large increase in specific viscosity. Oscillatory experiments on these solutions exhibited gel-like behavior at polymer concentrations of 40-50 g/L. Confocal microscopy images of HMPVA with 4 mol \% of MGC(8) clearly indicated the existence of microgels. The tendency of formation of microgels further increased with increasing chain length of the hydrophobe, that is, with MGC(12). These samples exhibited rheological behavior that is typical of soft solids and was therefore probed by the strain-rate frequency superposition technique reported recently in the literature. HMPVAs with improved rheological properties show potential applications as thickeners in cosmetic creams, lotions and as drug carriers in pharmaceutical formulations. (C) 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 48: 1054-1063, 2010
}, keywords = {gallic acid, hydrophobically modified poly(vinyl alcohol), Rheology, water-soluble polymers}, issn = {0887-6266}, doi = {10.1002/polb.21995}, author = {Shedge, Aarti S. and Wadgaonkar, Prakash P. and Lele, Ashish K. and Badiger, Manohar V.} } @article { ISI:000275524800024, title = {Hydroxyalkylation of p-Cresol to 2,2 {\textquoteleft}-methylenebis(4-methylphenol) using Sn/Si-MCM-41 catalysts}, journal = {Chemistry Letters}, volume = {39}, number = {2}, year = {2010}, month = {FEB}, pages = {126-127}, publisher = {CHEMICAL SOC JAPAN}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
Sn/Si-MCM-41 has exhibited an excellent catalytic activity [70\% product yield with 88\% selectivity to 2,2{\textquoteright}-methylenebis(4-methylphenol)] for the selective hydroxyalkylation of p-cresol. At equal level of Sn loading, Sn/Si-MCM-41 prepared by direct hydrothermal synthesis showed higher activity than Sn-impregnated Si-MCM-41 catalyst.
}, issn = {0366-7022}, doi = {10.1246/cl.2010.126}, author = {Garade, Ajit C. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Rode, Chandrashekhar V.} } @article { ISI:000283104700004, title = {Hysteresis in cloud heights during solid suspension in stirred tank reactor: experiments and CFD simulations}, journal = {Aiche Journal}, volume = {56}, number = {11}, year = {2010}, month = {NOV}, pages = {2795-2804}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Solid suspension in stirred tank reactor is widely used in process industries for catalytic reactions, dissolution of solids, crystallization, and so on. Suspension quality is a key issue in design and operation of stirred reactor and its determination is not straight forward. Cloud height measurements of solid suspension provide a relatively simple way to quantify quality of suspension. In this work, experiments were carried out to quantify variation of cloud heights with impeller speed and particle characteristics. These measurements were carried out using visual observations, image analysis, and ultrasound velocity profiler techniques. The obtained data demonstrated the existence of hysteresis in cloud heights with respect to impeller speed. Apart from possible applications in reducing power required for achieving desired solid suspension quality, the existence of hysteresis also provides a new way to evaluate computational fluid dynamics (CFD) simulations of solid liquid flows in stirred vessels. An attempt was made to capture observed hysteresis in cloud heights in CFD simulations. The simulated results were compared with the experimental data. The presented models and results (experimental and computational) will he useful for simulating complex solid liquid flows in stirred reactors. (C) 2010 American Institute of Chemical Engineers AIChE J, 56: 2795-2804, 2010
}, keywords = {CFD, hysteresis in cloud height, solid velocity profiles}, issn = {0001-1541}, doi = {10.1002/aic.12191}, author = {Sardeshpande, Madhavi V. and Juvekar, Vinay A. and Ranade, Vivek V.} } @article { ISI:000280570900070, title = {Identification of two flavin monooxygenases from an effluent treatment plant sludge metagenomic library}, journal = {Bioresource Technology}, volume = {101}, number = {21}, year = {2010}, month = {NOV}, pages = {8481-8484}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Oxygenases are useful for the production of many industrially important molecules. Screening of an effluent treatment plant (ETP) sludge metagenomic library identified two clones encoding proteins, B1 and B2, with similarity to putative Flavin monooxygenases from Mesorhizobium loti and Sphingomonas wittichi, respectively. The deduced amino acid sequences show only 20\% identity, but both have a paired Rossman fold and a flavin monooxygenase (FMO) motif. B1 and B2 appear to be members of the Flavin-containing monooxygenase and the Baeyer-Villiger monooxygenases subfamilies, respectively. When expressed in Escherichia coli, the two clones produced activities that oxidized indole to a mixture of indigo and indirubin pigments. These results suggest that B1 and B2 have potential as a biocatalyst in indigo/indirubin production. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Indigo, Indirubin, Metagenome, Metagenomic, Monooxygenase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2010.06.025}, author = {Singh, Ajit and Chauhan, Nar Singh and Thulasiram, H. V. and Taneja, Vibha and Sharma, Rakesh} } @article { ISI:000273895500012, title = {Immobilized palladium nanoparticles catalyzed oxidative carbonylation of amines}, journal = {Industrial \& Engineering Chemistry Research}, volume = {49}, number = {3}, year = {2010}, note = {Joint 7th International Symposium on Catalysis in Multiphase Reactors (CAMURE-7)/6th International Symposium on Multifunctional Reactors (ISMR-6), Montreal, CANADA, AUG 23-26, 2009}, month = {FEB}, pages = {1027-1032}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Catalytic application of immobilized palladium nanoparticles for synthesis or ureas by oxidative carbonylation of amines has been investigated. This is the first report oil oxidative carbonylation of amines to ureas using immobilized palladium nanoparticles catalyst. The palladium nanoparticles were immobilized on a NaY zeolite support through 3-aminopropyl-trimethoxysilane (APTS) as anchoring agent. The [Pd]-APTS-Y catalyst along with NaI promoter showed high conversion and selectivity to the desired urea products over several amine compounds including ail example of an aliphatic amine precursor even at 333 K. The immobilized catalyst was easily separated and recycled several times without any loss of activity. The role of different solvents, iodide promoters, iodide to Pd ratio, concentration of substrates, and temperature on the overall yield of the reaction was also investigated.
}, issn = {0888-5885}, doi = {10.1021/ie9007024}, author = {Didgikar, Mahesh R. and Roy, Debdut and Gupte, Sunil P. and Joshi, Sunil S. and Chaudhari, Raghunath V.} } @article { ISI:000274929000006, title = {In situ encapsulation of pt nanoarchitectures of varying morphologies in mesoporous compounds}, journal = {Chemistry of Materials}, volume = {22}, number = {5}, year = {2010}, month = {MAR}, pages = {1633-1639}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Nanoparticle morphology could be engineered and fine-tuned based on a novel in situ template method Different shapes of platinum nanoparticles were obtained from very low concentrations of precursors and could be isolated exclusively inside the mesochannels of SBA-15 This was achieved by dispersing a platinum precursor in surfactant modified polymer to different extents and using these composite materials as templates for the formation of mesoporous silica [PtCl(6)](2-) interacts with the cationic headgroup of the surfactant and facilitates the isolation of precursors within the composite template leading to the formation of nanoparticles molded by the walls of the mesochannels when calcined When this [PtCl(6)](2-)-surfactant-polymer micelle composite is aged for different duration, Pt nanoparticles of various morphologies like spheroids, nano rugby balls, and nanorods are obtained
}, issn = {0897-4756}, doi = {10.1021/cm9036499}, author = {Prashar, Atul K. and Hodgkins, Robert P. and Chandran, Jima N. and Rajamohanan, P. R. and Devi, R. Nandini} } @article { ISI:000285370100021, title = {In situ, on-resin synthesis of 8-Br/NH2 adeninyl peptide nucleic acid (PNA) oligomers and complementation studies with DNA}, journal = {Tetrahedron Letters}, volume = {51}, number = {50}, year = {2010}, month = {DEC}, pages = {6560-6564}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A new, novel and efficient in situ synthesis of 8-aminoadeninyl PNA oligomers from corresponding 8-bromoadeninyl PNA oligomers is reported. The study of hybridisation properties of (8-Br/8-NH2) PNA oligomers with cDNA reveals substitution-site dependent stabilization of derived triplexes and duplexes. (C) 2010 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.10.040}, author = {Vysabhattar, Raman and Ganesh, Krishna N.} } @article { ISI:000280090500014, title = {In vitro regeneration of semecarpus anacardium L. from axenic seedling-derived nodal explants}, journal = {Trees-Structure and Function}, volume = {24}, number = {4}, year = {2010}, month = {AUG}, pages = {733-742}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Semecarpus anacardium (Anacardiaceae), a deciduous forest tree, is a potent source of medicinal compounds. Poor seed viability of this species limits the conventional propagation practice. Proliferation of shoots from axillary meristem was achieved in semisolid WPM medium supplemented with BAP 4.44 mu M and KN 4.64 mu M. Factors including culture vessels, gelling agents and antioxidants were identified and optimized for proliferation and growth of shoots in vitro. Cotton-plugged culture vessels were more favorable. Phytagel 0.2\% as gelling agent and activated charcoal 0.2\% as antioxidant were superior to other agents and antioxidants tested. All the shoots rooted in half-strength WPM liquid medium with IBA 2.46 mu M. Rooted shoots survived (91\%) in the soil-sand 1:1 mixture. Ex vitro rooting of shoots and hardening of plants were achieved in 80\% of the explants in the soil-sand mixture. Hardened plants were maintained in a greenhouse. This is the first report on in vitro regeneration of Semecarpus anacardium.
}, keywords = {Antioxidants, Culture vessels, Ex vitro rooting, Gelling agents, Medicinal tree, micropropagation}, issn = {0931-1890}, doi = {10.1007/s00468-010-0443-8}, author = {Panda, Bhuban Mohan and Hazra, Sulekha} } @article { ISI:000275328500024, title = {Increase in backbone mobility of the VTS1p-SAM domain on binding to SRE-RNA}, journal = {Journal of Molecular Biology}, volume = {396}, number = {3}, year = {2010}, month = {FEB}, pages = {732-746}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {
The sterile alpha motif (SAM) domain of VTS1p, a posttranscriptional gene regulator, belongs to a family of SAM domains conserved from yeast to humans. Even though SAM domains were originally classified as protein-protein interaction domains, recently, it was shown that the yeast VTS1p-SAM and the SAM domain of its Drosophila homolog Smaug can specifically recognize RNA hairpins termed Smaug recognition element (SRE). Structural studies of the SRE-RNA complex of VTS1p-SAM revealed that the SAM domain primarily recognizes the shape of the RNA fold induced by the Watson-Crick base-pairing in the RNA pentaloop. Only the central G nucleotide is specifically recognized. The VTS1p-SAM domain recognizes SRE-RNAs with a CNGGN pentaloop where N is any nucleotide. The C1-G4 base pair in the wild type can be replaced by any pair of nucleotides that can form base pairs even though the binding affinity is greatest with a pyrimidine in position 1 and a purine in position 4. The interaction thus combines elements of sequence-specific and non-sequence-specific recognitions. The lack of structural rearrangements in either partner following binding is rather intriguing, suggesting that molecular dynamics may play an important role in imparting relaxed specificity with respect to the exact combination of nucleotides in the loop, except for the central nucleotide. In this work, we extend our previous studies of SRE-RNA interaction with VTS1p, by comparing the dynamics of the VTS1p-SAM domain both in its free form and when bound to SRE-RNA. The 1 5 N relaxation studies of backbone dynamics suggest the presence of a dynamic interaction interface, with residues associated with specific G3 recognition becoming more rigid on RNA binding while other regions attain increased flexibility. The results parallel the observations from our studies of dynamics changes in SRE-RNA upon binding to VTS1p-SAM and shows that molecular dynamics could play a crucial role in modulating binding affinity and possibly contribute to the free energy of the interaction through an entropy-driven mechanism. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {(15)N relaxation, NMR, protein-RNA interaction, SRE-RNA, VTS1p-SAM domain}, issn = {0022-2836}, doi = {10.1016/j.jmb.2009.12.004}, author = {Ravindranathan, Sapna and Oberstrass, Florian C. and Allain, Frederic H. T.} } @article { ISI:000278307300007, title = {Influence of filler size and morphology in controlling the thermal emissivity of aluminium/polymer composites for space applications}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {40-44}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The paper has addressed the problem of controlling the thermal emissivities from metal/polymer composites prepared by solution method. Aluminium is used as a filler and polystyrene as a polymer-matrix. Aluminium particles, with micrometer and nanometer dimensions having different morphologies, were employed. The values of emissivities were reduced when the coarse grains and flakes of aluminium were used as fillers, whereas, no significant change was observed when nano-aluminium was used in the composite. Dielectric dispersion for the composites was measured and the results are analysed in view of Fresnel relation. The differences in the values of dielectric constants, between the experimentally measured and those which can be predicted theoretically, are thought to arise from the interfacial polarization. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Camouflaging, Composite, dielectric constant, Infra-red, Thermal emissivity}, issn = {0921-5107}, doi = {10.1016/j.mseb.2009.11.009}, author = {Babrekar, Harshada A. and Kulkarni, Naveen V. and Jog, Jyoti Prakash and Mathe, Vikas L. and Bhoraskar, S. V.} } @article { ISI:000272308600054, title = {Influence of palladium on gas-sensing performance of magnesium ferrite nanoparticles}, journal = {Materials Chemistry and Physics}, volume = {119}, number = {1-2}, year = {2010}, month = {JAN}, pages = {319-323}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Commercial ferrites with high densities are mostly used in the electromagnetic devices, which require high temperature synthesis. In this article the gas-sensing characteristics of pure and Pd-doped MgFe(2)O(4) powder has been discussed. The synthesis has been carried out by using a simple molten salt method. This method facilitates rapid synthesis at comparatively lower temperature enabling formation of nanostructures, suitable for the gas-sensing application. Various physicochemical techniques have been used for the characterization of samples. X-ray diffraction analysis confirmed the single-phase formation of pure and Pd-doped MgFe(2)O(4) having crystallite size 15-20 nm. Pure MgFe(2)O(4) showed highest responses towards liquid petroleum gas (LPG) at 350 degrees C while, on doping with Pd the highest response shifted towards lower operating temperature of similar to 200 degrees C. Pure MgFe(2)O(4) exhibited some response towards 200 ppm of LPG which markedly increased on doping of palladium (Pd). The probable mechanism is proposed to explain the selective response towards LPG. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Doping, Ferrite, LPG sensor, Molten salt synthesis, Nanostructures}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2009.09.004}, author = {Darshane, Sonali L. and Mulla, Imtiaz S.} } @article { ISI:000273051800057, title = {Influence of plane wave cut-off on structural and electronic properties in Sn-BEA and Ti-BEA zeolite water molecule interaction}, journal = {Chemical Physics Letters}, volume = {484}, number = {4-6}, year = {2010}, month = {JAN}, pages = {374-379}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Periodic systems are best described by the pseudo-potential methods. However, the accuracy of its description depends on the cut-off of plane wave basis. This is much more critical in the case of weak interactions, where a clear understanding on the influence of plane wave cut-off on the structural and electronic properties is not readily available in the literature. In the present work, we have taken a metal substituted beta zeolite-H2O complex for understanding this objective. Our studies show that while a lower cut-off of 500 eV is sufficient for the convergence of the structural parameters, description of energy-dependent properties necessitates a high cut-off value. (C) 2009 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2009.11.041}, author = {Kulkarni, Bhakti S. and Krishnamurty, Sailaja and Pal, Sourav} } @article { ISI:000281448900066, title = {Influence of structure of organic modifiers and polyurethane on the clay dispersion in nanocomposites via in situ polymerization}, journal = {Journal of Applied Polymer Science}, volume = {118}, number = {3}, year = {2010}, month = {NOV}, pages = {1774-1786}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Influence of polyurethane (PU) structure on the nature of PU/clay nanocomposite was studied using varying amounts of trimethylol propane (TMP) as branching agent. The effect of hydroxyl groups in the modifier of organoclays on the structure of PU/clay nanocomposites was studied. Nanocomposites were characterized using wide-angle X-ray diffraction measurements (WAXD) and transmission electron microscopy (TEM). The results show that formation of completely exfoliated and well dispersed polyurethane/clay nanocomposites via in situ polymerization, is facilitated by the presence of tethering groups on the clay surface and an ability to form branched and crosslinked structures. Incorporation of long alkyl chains in addition to tethering hydroxyl groups in the modifier structure of the clay did not significantly improve the compatibility of linear PU with the clay. Intercalated thermoplastic polyurethane/clay nanocomposites, prepared using poly(caprolactone diol) as soft segment and isophorone diisocyanate and 1,4-butanediol as hard segments show increase in storage tensile moduli at temperatures before glass transition temperature when functional groups capable of chemically reacting with the growing polymer chains are present in the clay modifier. This is indicative of improved interaction of the polymer with the clay surface when the modifier has larger number of hydroxyl groups. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 118: 1774-1786, 2010
}, keywords = {intercalation and exfoliation, Nanocomposites, organoclay, polyurethane}, issn = {0021-8995}, doi = {10.1002/app.32500}, author = {Rama, Mallikarjuna Shroff and Swaminathan, Sivaram} } @article { ISI:000276563100089, title = {Influence of surface hydrophobicity on the esterification of fatty acids over solid catalysts}, journal = {Energy \& Fuels}, volume = {24}, year = {2010}, month = {MAR}, pages = {2154-2161}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The relative roles of surface acidity and hydrophobicity in the methylation of fatty acids (C(8) - C(18)) to the corresponding methyl esters were investigated over three solid acid catalysts: Fe-Zn double-metal cyanide (DMC), sulfated zirconia (SZ), and Al-MCM-41. The esterification reaction was faster and the apparent activation energy was lower over SZ and Al-MCM-41 than on DMC because of their higher acid strength, specific surface area, and pore diameter. Over SZ and Al-MCM-41, the apparent activation energy for esterification increased with the chain length of the fatty acid. A reverse trend, however, was observed over DMC. The relative adsorption of methanol and fatty acids (compared to water) was higher on DMC than on SZ and Al-MCM-41. Hence, in addition to the acidic and textural properties, surface hydrophobicity and relative surface coverage by reactants/products also play an important role in reactions of long-chain fatty acids with alcohols on solid catalysts.
}, issn = {0887-0624}, doi = {10.1021/ef1001452}, author = {Satyarthi, Jitendra K. and Srinivas, Darbha and Ratnasamy, Paul} } @article { ISI:000275612000009, title = {Influence of zeolitic structure on photoreduction property and hydrogen evolution reaction}, journal = {International Journal of Hydrogen Energy}, volume = {35}, number = {5}, year = {2010}, month = {MAR}, pages = {1911-1920}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A new photocatalytic material developed by supporting TiO(2) in combination with transition metal ion like cobalt and heteropolyacid (HPA) on the surface is facilitating enhanced photoreduction of water and methyl orange Zeolites being a solid acid play an important role in the electron transfer reaction, facilitated by the Lewis acid sites in the form of aluminium ions In the present work, four different zeolite matrices namely, NaY zeolite, ultrastable zeolite Y, beta zeolite and titanium silicate-1 have been used for the synthesis of new photocatalytic materials These materials have been evaluated for water splitting by an initial screening procedure using methyl orange photoreduction The photocatalyst containing Na Y has emerged as a potential photocatalyst with hydrogen evolution rate of 2730 mu mol/h/g of TiO(2) Hydrogen evolution was not observed for the composite photocatalysts synthesized using the other zeolite matrices It has been observed that physicochemical properties like Si/Al ratio, acidity and basicity of the zeolite support have a tremendous influence on the photoreduction property of these zeolite matrices (C) 2010 Professor T Nejat Veziroglu Published by Elsevier Ltd All rights reserved
}, keywords = {H(2) evolution, Lewis acidity, Si/Al ratio, water splitting, Zeolite structure}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2009.12.172}, author = {Chatti, Ravikrishna V. and Dubey, Nidhi and Joshi, Meenal V. and Labhsetwar, Nitin K. and Joshi, P. N. and Rayalu, Sadhana S.} } @article { ISI:000277404300005, title = {Interaction between ataxin-2 binding protein 1 and cubitus-interruptus during wing development in drosophila}, journal = {Developmental Biology}, volume = {341}, number = {2}, year = {2010}, month = {MAY}, pages = {389-399}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Animal growth and development is dependent on reiterative use of key signaling pathways such as Hedgehog (Hh) pathway. It is widely believed that Cubitus-interruptus (Ci) mediates all functions of Hh pathway. Here we report that CG32062, the Drosophila homologue of Ataxin-2 Binding Protein 1 (dA2BP1), functions as a cofactor of Ci to specify intervein region between L3 and L4 veins of the adult wing. Specifically, Ci-mediated transactivation of knot/collier (kn) in this region of the developing wing imaginal disc is dependent on dA2BP1 function. Protein interaction studies and chromatin-immunoprecipiation experiments suggest that Ci helps dA2BP1 to bind kn promoter, which in turn may help Ci to activate kn expression. These results suggest a mechanism by which Ci may activate targets such as kn, which do not have classical Ci/Gli-binding sites. (C) 2010 Elsevier Inc. All rights reserved.
}, keywords = {CG32062, Collier, Hedgehog, Knot, SCA2}, issn = {0012-1606}, doi = {10.1016/j.ydbio.2010.02.039}, author = {Usha, N. and Shashidhara, L. S.} } @article { ISI:000281054300011, title = {Interaction of recombinant CanPIs with helicoverpa armigera gut proteases reveals their processing patterns, stability and efficiency}, journal = {Proteomics}, volume = {10}, number = {15}, year = {2010}, month = {JUL}, pages = {2845-2857}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Six diverse representative Capsicum annuum (common name: hot pepper; Solanaceae) protease inhibitor genes, viz CanPI-5, -7, -13, -15, -19, and 22 comprising 1-4 inhibitory repeat domains (IRDs), were cloned and expressed in Pichia pastoris. The recombinant proteins were evaluated for their interactions with bovine trypsin, chymotrypsin, and Helicoverpa armigera gut proteases (HGP) using electrophoretic (native and denaturing) and mass spectrometric (MALDI-TOF-MS in combination with intensity fading assays) techniques. These techniques allow qualitative and semiquantitative analysis of multiple and processed IRDs of purified recombinant Capsicum annuum proteinase inhibitor (rCanPI) proteins. rCanPIs showed over 90\% trypsin inhibition, varying chymotrypsin inhibition depending on the number of respective IRDs and over 60\% inhibition of total HGP. rCanPI-15 that has only one IRD showed exceptionally low inhibition of these proteases. Interaction studies of rCanPIs with proteases using intensity fading-MALDI-TOF-MS revealed gradual processing of multi-IRD rCanPIs into single IRD forms by the action of HGP at the linker region, unlike their interactions with trypsin and chymotrypsin. Intensity fading-MALDI-TOF-MS assay showed that CanPI-13 and -15, possessing single IRD and expressed predominantly in stem tissue are degraded by HGP; indicating their function other than defense. In vitro and in vivo studies on rCanPI-5 and -7 showed maximum inhibition of HGP isoforms and their processed IRDs were also found to be stable in the presence of HGP. Even single amino acid variations in IRDs were found to change the HGP specificity like in the case of HGP-8 inhibited only by IRD-12. The presence of active PI in insect gut might be responsible for changed HGP profile. rCanPI-5 and -7 enhanced HGP-7, reduced HGP-4, -5, -10 expression and new protease isoforms were induced. These results signify isoform complexity in plant PIs and insect proteases.
}, keywords = {CanPI, H. armigera gut proteases, Intensity fading MALDI-TOF-MS, Pin-II, Plant proteomics, Plant-insect interaction}, issn = {1615-9853}, doi = {10.1002/pmic.200900853}, author = {Mishra, Manasi and Tamhane, Vaijayanti A. and Khandelwal, Neha and Kulkarni, Mahesh J. and Gupta, Vidya S. and Giri, Ashok P.} } @article {42454, title = {Intermolecular N-heterocyclic carbene-catalyzed hydroacylation of arynes}, journal = {Angewandte Chemie-International Edition}, volume = {49}, year = {2010}, month = {DEC}, pages = {9761{\textendash}9764}, abstract = {
A formal introduction: The conceptually new N-heterocyclic carbene catalyzed formal insertion of arynes into the Cformyl[BOND]H bond of aldehydes demonstrates the compatibility of nucleophilic NHCs with electrophilic arynes. This NHC-catalyzed hydroacylation of arynes allows the conversion of aliphatic, α,β-unsaturated, and aromatic aldehydes into aryl ketones; 27 examples and a preliminary mechanistic investigation are provided.
}, doi = {10.1002/anie.201005490}, author = {Biju, Akkattu T. and Glorius, Frank} } @article { ISI:000274449000021, title = {Intramolecular hydrogen abstraction in radicals derived from inositol 1,3-acetals: efficient access to cyclitols}, journal = {European Journal of Organic Chemistry}, number = {4}, year = {2010}, month = {FEB}, pages = {755-764}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
The benzylidene acetals obtained by cleavage of the orthobenzoate moiety in myo-mositol 1,3,5-orthobenzoate were used to prepare mono- as well as di-deoxy inositol derivatives via their xanthates. The dideoxygenation is a result of intramolecular abstraction of the benzylidene acetal hydrogen and subsequent cleavage of the acetal ring. Such a cleavage does not take place in analogous acetals derived from other orthoesters. The 1,3-acetals derived from myoinositol 1,3,5-orthoesters were also used to prepare neo-inositol and isomeric deoxy-amino inositols, Most of the reactions in these synthetic sequences starting from myo-inositol give one product in each step. The results presented here show that myo-inositol 1,3,5-orthobenzoate offers many advantages over other orthoesters for the synthesis of cyclitol derivatives from myo-inositol.
}, keywords = {cyclitols, Deoxygenation, Inosamine, Inositol, Radical reactions, Radicals, Xanthate}, issn = {1434-193X}, doi = {10.1002/ejoc.200901156}, author = {Murali, Chebrolu and Gurale, Bharat P. and Shashidhar, Mysore S.} } @article { ISI:000277784300022, title = {Inverse magnetocaloric effect in sol-gel derived nanosized cobalt ferrite}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {99}, number = {2, SI}, year = {2010}, month = {MAY}, pages = {497-503}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The magnetocaloric properties of cobalt ferrite nanoparticles were investigated to evaluate the potential of these materials as magnetic refrigerants. Nanosized cobalt ferrites were synthesized by the method of sol-gel combustion. The nanoparticles were found to be spherical with an average crystallite size of 14 nm. The magnetic entropy change (Delta S (m)) calculated indirectly from magnetization isotherms in the temperature region 170-320 K was found to be negative, signifying an inverse magnetocaloric effect in the nanoparticles. The magnitudes of the Delta S (m) values were found to be larger when compared to the reported values in the literature for the corresponding ferrite materials in the nanoregime.
}, issn = {0947-8396}, doi = {10.1007/s00339-010-5573-8}, author = {Gopalan, E. Veena and Al-Omari, I. A. and Kumar, D. Sakthi and Yoshida, Yasuhiko and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000278905100015, title = {Investigation of gas permeation properties of systematically modified polybenzimidazoles by N-substitution}, journal = {Journal of Membrane Science}, volume = {357}, number = {1-2}, year = {2010}, month = {JUL}, pages = {134-142}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Gas permeation behavior of a series of thermally stable N-substituted polybenzimidazoles by systematically varying bulk and flexibility of the substituent was investigated. Two different PBIs having variation in their acid moiety, viz., PBI-I (based on isophthalic acid) and PBI-BuI (based on 5-tert-butyl isophthalic acid) were selected for N-substitution by alkyl groups possessing different bulk and flexibility. These substituent groups were methyl, n-butyl, methylene trimethylsilane and 4-tert-butylbenzyl. Pure gas sorption and permeability using H(2), N(2), O(2), CH(4) and CO(2) were investigated and correlated with physical properties of formed polymers. Estimation of dual-mode sorption parameters, coefficients of sorption, permeability and diffusion for different gases provided an insight towards effects of nature of a substituent group and parent PBI on governing gas sorption and permeation properties. By changing the substituent group, diffusivity coefficients was found to vary to a larger extent than the solubility coefficient. This significantly enhanced gas permeability for different gases by 1.2-129 times than that of parent PBIs. The permselectivity P(O2)/P(N2) was increased (up to 237\%), while for other gas pairs, it was decreased to a different extent. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Diffusion, Gas permeation, N-Substitution, Polybenzimidazole, Sorption}, issn = {0376-7388}, doi = {10.1016/j.memsci.2010.04.014}, author = {Kumbharkar, Santosh C. and Kharul, Ulhas K.} } @article {42812, title = {Investigation of magnetic anisotropy in Co nanoparticles using ferromagnetic resonance technique}, journal = {Journal of Physics: Conference Series}, volume = {200}, year = {2010}, month = {JAN}, abstract = {
Using ferromagnetic resonance (FMR) technique, we have investigated the temperature dependence and angular dependence of line width and resonance magnetic field of Co nanoparticles capped with novel alkane carboxylic acids of varying chain lengths. The magnetic properties such as blocking temperature and anisotropy sensitively depend on the chain length as evidenced by the temperature dependence of line width. These results indicate that the magnetic properties of these samples are critically governed by the interparticle interactions which are decided by the chain length. The presence of anisotropy even up to very high temperature above the blocking temperature observed in these studies confirms the presence of inter-particle magnetic interactions as well as intra-particle exchange interaction between the core and shell regions as evidenced by our earlier ac susceptibility and transverse susceptibility measurements on similar system.
}, doi = {10.1088/1742-6596/200/7/072088}, author = {Sendilkumar, A. and Kasture, Manasi and Patel, Pitamber and Ramana, Chepuri V. and Bhagavatula L. V. Prasad and Srinath, S.} } @article { ISI:000283349200004, title = {Investigations of CdS and Ag-CdS nanoparticles by X-ray photoelectron spectroscopy}, journal = {Applied Surface Science}, volume = {257}, number = {5}, year = {2010}, month = {DEC}, pages = {1390-1394}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In the present report, CdS and Ag-CdS nanoparticles were synthesized using cysteine as a capping agent. Surface properties CdS and Ag-CdS nanoparticles were studied by X-ray photoelectron spectroscopy (XPS). XPS study of CdS nanoparticles was carried out as a function of pH and for a refluxed sample at pH 11.2. Effect of dopant concentration on surface properties of Ag-CdS nanoparticles was also studied for as prepared samples as well as for annealed sample at 2\% doping. Effect of pH, dopant concentration, and effect of particle size on different sulfur species present in the system was studied. Features of Cd 3d, S 2p and Ag 3d core level have been discussed in detail. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Ag-CdS, CdS, Cysteine, XPS}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2010.08.035}, author = {Thakur, Priya and Joshi, Satyawati S. and Patil, K. R.} } @article { ISI:000279017900002, title = {Ionic liquids: new materials with wide applications}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {49}, number = {5-6, SI}, year = {2010}, month = {MAY}, pages = {635-648}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
Ionic liquids have emerged as possible substitutes for volatile organic solvents and have found many applications in a variety of research areas. In this review, an effort has been made to discuss the special properties of ionic liquids that render these unique solvent media useful in chemical transformations, electrochemical applications, extractions, etc.
}, keywords = {Chemical processes, Electrochemical devices, ionic liquids, Physicochemical properties, Solvent properties, viscosity}, issn = {0376-4710}, author = {Khupse, Nageshwar D. and Kumar, Anil} } @article { ISI:000277159800001, title = {Irreverence and Indian science}, journal = {Science}, volume = {328}, number = {5978}, year = {2010}, month = {APR}, pages = {547}, publisher = {AMER ASSOC ADVANCEMENT SCIENCE}, address = {1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA}, issn = {0036-8075}, doi = {10.1126/science.1191057}, author = {Mashelkar, Raghunath Anant} } @article { ISI:000280541800020, title = {Isochroman- and 1,3-dihydroisobenzofuran-annulation on carbohydrate templates via [2+2+2]-cyclotrimerization and synthesis of some tricyclic nucleosides}, journal = {Tetrahedron}, volume = {66}, number = {32}, year = {2010}, month = {AUG}, pages = {6085-6096}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The synthesis of enantiopure tricyclic systems comprising isochroman or dihydroisobenzofuran units integrated with sugar templates has been documented. The alkyne cylotrimerization reaction has been employed with easily accessible sugar diynes for the key bicyclic ring construction and thus a provision to alter the functional groups on the newly formed aromatic rings. By selecting two representative trimerization products, we have synthesized the tricyclic nucleosides by simple synthetic manipulations. (c) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Dihydroisobenzofuran, Dihydroisobenzopyran, Modified nucleosides, Vorbruggen reaction, [2+2+2] cyclotrimerization}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.06.011}, author = {Suryawanshi, Sharad B. and Dushing, Mangesh P. and Gonnade, Rajesh G. and Ramana, C. V.} } @article { ISI:000279787200004, title = {Isolation, structure, and functional elucidation of a modified pentapeptide, cysteine protease inhibitor (CPI-2081) from streptomyces species 2081 that exhibit inhibitory effect on cancer cell migration}, journal = {Journal of Medicinal Chemistry}, volume = {53}, number = {14}, year = {2010}, month = {JUL}, pages = {5121-5128}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Cysteine proteases play an important role in cell migration and tumor metastasis. Therefore, their inhibitors are of colossal interest, having potential to be developed as effective antimetastatic drugs for tumor chemotherapy. Traditionally, secondary metabolites from streptomyces show a wide range of diversity with respect to their biological activity and chemical nature. In this article, we have described the characterization of small molecule cysteine protease inhibitor, CPI-2081 (compound 1), a mixture of two novel pentapeptides, compound 1a (736.71 Da), and compound 1b (842.78 Da), isolated from Streptomyces species NCIM2081, following solvent extraction and repeated HPLC based on C18 chemistry, and completely characterized using a variety of both ID and 2D NMR spectroscopy. Further, it was found that nanomolar concentration of compound 1 is able to inhibit papain hydrolytic activity. Also, compound 1 significantly inhibits tumor cell migration at sub cytotoxic concentration, indicating its remarkable potential to be developed as antimetastatic drug, which will make chemotherapy more localized and specific, thereby minimizing the hazardous side effects on normal tissues.
}, issn = {0022-2623}, doi = {10.1021/jm9014179}, author = {Singh, Jay Prakash and Tamang, Sudarsan and Rajamohanan, P. R. and Jima, N. C. and Chakraborty, Goutam and Kundu, Gopal C. and Gaikwad, Sushama M. and Khan, Mohammad Islam} } @article { ISI:000281430800001, title = {Kinetic model of TBP auto-regulation exhibits bistability}, journal = {Biology Direct}, volume = {5}, year = {2010}, month = {AUG}, pages = {50}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {
Background: TATA Binding Protein (TBP) is required for transcription initiation by all three eukaryotic RNA polymerases. It participates in transcriptional initiation at the majority of eukaryotic gene promoters, either by direct association to the TATA box upstream of the transcription start site or by indirectly localizing to the promoter through other proteins. TBP exists in solution in a dimeric form but binds to DNA as a monomer. Here, we present the first mathematical model for auto-catalytic TBP expression and use it to study the role of dimerization in maintaining the steady state TBP level. Results: We show that the autogenous regulation of TBP results in a system that is capable of exhibiting three steady states: an unstable low TBP state, one stable state corresponding to a physiological TBP concentration, and another stable steady state corresponding to unviable cells where no TBP is expressed. Our model predicts that a basal level of TBP is required to establish the transcription of the TBP gene, and hence for cell viability. It also predicts that, for the condition corresponding to a typical mammalian cell, the high-TBP state and cell viability is sensitive to variation in DNA binding strength. We use the model to explore the effect of the dimer in buffering the response to changes in TBP levels, and show that for some physiological conditions the dimer is not important in buffering against perturbations. Conclusions: Results on the necessity of a minimum basal TBP level support the in vivo observations that TBP is maternally inherited, providing the small amount of TBP required to establish its ubiquitous expression. The model shows that the system is sensitive to variations in parameters indicating that it is vulnerable to mutations in TBP. A reduction in TBP-DNA binding constant can lead the system to a regime where the unviable state is the only steady state. Contrary to the current hypotheses, we show that under some physiological conditions the dimer is not very important in restoring the system to steady state. This model demonstrates the use of mathematical modelling to investigate system behaviour and generate hypotheses governing the dynamics of such nonlinear biological systems.
}, issn = {1745-6150}, doi = {10.1186/1745-6150-5-50}, author = {Gokhale, Sucheta A. and Roshan, Reema and Khetan, Vivek and Pillai, Beena and Gadgil, Chetan J.} } @article { ISI:000276206700037, title = {Kinetics of reductive alkylations of phenylenediamines: influence of substrates isomeric structure}, journal = {Chemical Engineering Science}, volume = {65}, number = {1, SI}, year = {2010}, note = {20th International Symposium on Chemical Reaction Engineering, Kyoto, JAPAN, SEP, 2008}, month = {JAN}, pages = {232-239}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Reductive alkylation of ortho-, meta- and para-phenylenediamines (PDAs) with methyl ethyl ketone (MEK) has been studied in a semi-batch slurry reactor in the presence of a commercial 3\% Pt/Al(2)O(3) catalyst. It was observed that the PDA isomers differ remarkably from each other in their activity in reductive alkylation and product distribution. The activity was found to decrease in the following order: PPDA \> OPDA \> MPDA. To understand the substrate structure-activity correlation, the homogeneous equilibrium reactions involved in the alkylation step and the overall catalytic reactions were studied separately. Kinetics of reductive alkylation of PDAs with MEK as a solvent and alkylating agent with 3\% Pt/Al(2)O(3) catalyst was studied in a semi-batch slurry reactor over a temperature range of 373-453K and pressure range of 2.07-6.21 MPa. Semi-batch slurry reactor models were developed and kinetic parameters were estimated by fitting the integral batch reactor data at different temperatures to understand the influence of different reaction steps on the activity and selectivity of different products. Published by Elsevier Ltd.
}, keywords = {Batch, catalysis, kinetics, Multiphase reactions, Phenylenediamines, Reaction engineering, Reductive alkylation}, issn = {0009-2509}, doi = {10.1016/j.ces.2009.06.065}, author = {Roy, Debdut and Chaudhari, Amit S. and Chaudhari, Raghunath V.} } @article { ISI:000288434800016, title = {Kinetics studies and mechanism evolution of the epoxidation of styrene over nanoporous Au doped TS-1}, journal = {Polish Journal of Chemical Technology}, volume = {12}, number = {4}, year = {2010}, month = {JAN}, pages = {72-78}, publisher = {VERSITA}, address = {SOLIPSKA 14A-1, 02-482 WARSAW, POLAND}, abstract = {
{A kinetic investigation of the slurry phase epoxidation of styrene with hydrogen peroxide has been carried out, for the first time, over nanoporous Au doped TS-1 catalyst, in a batch reactor, in the temperature range of 313-333 K. It was found that product selectivity and the rate of reaction are greatly influenced by concentrations of styrene and hydrogen peroxide. Kinetics studies reveal that the mechanism of the reaction is of the {\textquoteleft}{\textquoteleft}Redox{\textquoteright}{\textquoteright} type. The rate equation
}, keywords = {Au/TS-1, epoxidation, kinetics, styrene, Styrene oxide}, issn = {1509-8117}, doi = {10.2478/v10026-010-0054-6}, author = {Saxena, Samidha and Dwivedi, Reena and Bhadauria, Sheenu and Chumbhale, Vilas R. and Prasad, Rajendra} } @article {42748, title = {Large-bite bisphosphite, 1,3-C6H4{OPOC10H6(μ-S)C10H6O}2: synthesis, copper(I), and gold(I) complexes}, journal = {Journal of Organometallic Chemistry}, volume = {695}, year = {2010}, month = {NOV}, pages = {981{\textendash}986}, abstract = {
Large-bite bisphosphite ligand 1,3-C6H4{OPOC10H6(μ-S)C10H6O}2 (3), is obtained by reacting chlorophosphonite {OC10H6(μ-S)C10H6O}PCl (2) with resorcinol in the presence of triethylamine. Treatment of 3 with CuCl in 1:1 molar ratio produces a 1D-coordination polymer [CuCl{({\textendash}OC10H6(μ-S)C10H6O{\textendash})P({\textendash}OC6H4O{\textendash})P({\textendash}OC10H6(μ-S)C10H6O{\textendash})}-κP,κP]$\infty$ (4) in good yield. Similar reaction of 3 with two equivalents of AuCl(SMe2) affords a dinuclear complex, [Au2Cl2{({\textendash}OC10H6(μ-S)C10H6O{\textendash})P({\textendash}OC6H4O{\textendash})P({\textendash}OC10H6(μ-S)C10H6O{\textendash})}-κP,κP] (5). Single crystal X-ray structures of the ligand 3 and the complexes 4 and 5 are reported. The gold complex 5 shows dimeric structure supported by strong Au{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}Au aurophilic interactions.
}, author = {Balakrishna, Maravanji S. and Kumar, Pawan and Punji, Benudhar and Mague, Joel T.} } @article { ISI:000288651100012, title = {Lipase of aspergillus niger NCIM 1207: a potential biocatalyst for synthesis of isoamyl acetate}, journal = {Indian Journal of Microbiology}, volume = {50}, number = {4}, year = {2010}, month = {OCT}, pages = {432-437}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Commercial lipase preparations and mycelium bound lipase from Aspergillus niger NCIM 1207 were used for esterification of acetic acid with isoamyl alcohol to obtain isoamyl acetate. The esterification reaction was carried out at 30 degrees C in n-hexane with shaking at 120 rpm. Initial reaction rates, conversion efficiency and isoamyl acetate concentration obtained using Novozyme 435 were the highest. Mycelium bound lipase of A. niger NCIM 1207 produced maximal isoamyl acetate formation at an alcohol/acid ratio of 1.6. Acetic acid at higher concentrations than required for the critical alcohol/acid ratio lower than 1.3 and higher than 1.6 resulted in decreased yields of isoamyl acetate probably owing to lowering of micro-aqueous environmental pH around the enzyme leading to inhibition of enzyme activity. Mycelium bound A. niger lipase produced 80 g/l of isoamyl acetate within 96 h even though extremely less amount of enzyme activity was used for esterification. The presence of sodium sulphate during esterification reaction at higher substrate concentration resulted in increased conversion efficiency when we used mycelium bound enzyme preparations of A. niger NCIM 1207. This could be due to removal of excess water released during esterification reaction by sodium sulphate. High ester concentration (286.5 g/l) and conversion (73.5\%) were obtained within 24 h using Novozyme 435 under these conditions.
}, keywords = {Aspergillus niger NCIM 1207, Fusel oil, Isoamyl acetate formation, Mycelium bound lipase, Novozyme 435}, issn = {0046-8991}, doi = {10.1007/s12088-011-0087-4}, author = {Mhetras, Nutan and Patil, Sonal and Gokhale, Digambar V.} } @article { ISI:000281683900009, title = {Liquid-liquid extraction and recovery of gallium(III) from acid media with 2-octylaminopyridine in chloroform: analysis of bauxite ore}, journal = {Journal of the Serbian Chemical Society}, volume = {75}, number = {8}, year = {2010}, month = {Apr}, pages = {1099-1113}, publisher = {SERBIAN CHEMICAL SOC}, address = {KARNEGIJEVA 4, 11 120 BELGRADE, SERBIA}, abstract = {
The liquid liquid extraction of gallium(III) from hydrochloric acid solution using 2-octylaminopyridine (2-OAP) in chloroform was investigated. The extraction of gallium(III) from 6.0-9.0 mol dm(-3) hydrochloric acid was found to be quantitative using 0.033 mol dm-3 2-OAP in chloroform. The effect of the reagent concentration and other parameters on the extraction of gallium(111) was also studied. The stoichiometry of the extracted species of gallium(In) was determined based on the slope analysis method. The extraction reaction proceeded via the anion exchange mechanism from hydrochloric acid and the extracted species was [RR{\textquoteright}NH(2)(+)GaCl(4)(-)](org). The extraction of gallium(III) was performed in the presence of various ions to ascertain the tolerance limit to individual ions. The temperature dependence of the extraction equilibrium constants was examined to estimate the apparent thermodynamic functions (Delta H, Delta S and Delta G) for the extraction reaction. Gallium(III) was successfully separated from commonly associated metal ions, such as Zn(II), Pb(II), Cd(II), Hg(II), Bi(III), Al(III), Se(IV), Sb(III), Sn(IV), In(III), TI(I) and TI(III). However, gallium(III) was separated from Fe(III) from weak organic acid media. The procedure was also extended to the determination of gallium(III) in bauxite ore by the standard addition method.
}, keywords = {2-OAP, gallium(III), liquid-liquid extraction, recovery of gallium from bauxite}, issn = {0352-5139}, doi = {10.2298/JSC090630072M}, author = {Mahamuni, Sandip V. and Wadgaonkar, Prakash P. and Anuse, Mansing A.} } @article { ISI:000274773900028, title = {Long-range synthon aufbau modules (LSAM) in crystal structures: systematic changes in C6H6-nFn (0 <= n <= 6) fluorobenzenes}, journal = {Crystengcomm}, volume = {12}, number = {3}, year = {2010}, month = {OCT}, pages = {817-833}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We discuss the assembly of a three-dimensional molecular crystal in terms of short-range supramolecular synthons that spontaneously organize themselves according to Aufbau principles into long-range geometries characteristic of the molecules themselves. For this purpose we have examined the systematic changes in the known crystal structures of a family of fluorobenzenes, C6H6-nFn, where 0 \<= n \<= 6. Crystal assembly is initiated by forming long-range synthon Aufbau modules (LSAM) that carry the imprint of the synthons. For example, when 1 \<= n \<= 5 the short-range synthons use H center dot center dot center dot F interactions to form the LSAMs. In the n = 0 and n = 6 compounds, the synthons are H center dot center dot center dot C and F center dot center dot center dot C interactions, respectively. The LSAMs are usually one-dimensional. In this study we show that these 1D LSAMs assemble into 2D quasi-hexagonal close-packed layers. The 3D crystal structure is obtained from the various kinds of close-packing known for these 2D layers. The final stages of this 1D -\> 2D -\> 3D assembly seem to be more influenced by the packing of LSAMs than by any other factor. In these final stages, there may not be so much influence exerted by the stronger short-range synthons. We discuss the evolution of these fluorobenzene crystal structures in terms of putative LSAMs and the purely geometric relationships between the n and (6 - n) compounds that can thus be expected. Such particle-hole pairs show structural similarities. Our discussion is quantified by the interpretation of intermolecular distances in terms of atomic sizes and with qualitative predictions of magnetic model systems.
}, issn = {1466-8033}, doi = {10.1039/b910915c}, author = {Ganguly, P. and Desiraju, Gautam R.} } @article { ISI:000273689600061, title = {Magnetic and dielectric properties and Raman spectroscopy of GdCrO3 nanoparticles}, journal = {Journal of Applied Physics}, volume = {107}, number = {1}, year = {2010}, month = {JAN}, pages = {013912}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
The rare earth orthochromites are extremely interesting due to the richness of their optical, dielectric, and magnetic properties as well as due to their multiferroic properties which make them suitable materials to study in the nanoregime. However, the wet-chemical synthesis of these materials in nanosize is nontrivial. Here, we report for the first time, the detailed Raman spectra as well as magnetic and dielectric properties of chemically synthesized GdCrO3 nanoparticles of size ranging from 40 to 60 nm. The magnetic properties are dictated by competing Cr3+-Cr3+, Gd3+-Cr3+, and Gd3+-Gd3+ superexchange interactions in different temperature regions, resulting into an antiferromagnetic ordering at 167 K due to the Cr3+-Cr3+ followed by weak ferromagnetic ordering due to the onset of Cr3+-Gd3+ interactions. At lower temperature, it shows weak antiferromagnetic ordering due to Gd3+-Gd3+ interaction. Below 95 K, GdCrO3 nanoparticles showed the presence of negative magnetization due to Gd3+ and Cr3+ interactions resulting into weak ferromagnetic coupling. The Raman spectroscopy shows the characteristic Raman shifts indicating that below 450 cm(-1), Gd3+ ions play a dominant role in determining the phonon frequencies of GdCrO3, and above 450 cm(-1), the Cr+3 ions dominate. We also present for the first time the low temperature dielectric constant and loss tangent data for GdCrO3 in a broad temperature and frequency range. The dielectric constant shows a decrease in comparison to the bulk values due to the size dependent effects. It also shows a peak centered at around 320 K above which it shows a sharp decrease. The dielectric loss value in GdCrO3 nanoparticles is quite small and shows an interesting frequency dependent anomaly at lower temperature which might be due to the coupling between magnetic and dielectric order parameters.
}, keywords = {dielectric losses, gadolinium compounds, Magnetisation, Multiferroics, nanofabrication, Nanoparticles, permittivity, phonons, Raman spectra, superexchange interactions}, issn = {0021-8979}, doi = {10.1063/1.3275926}, author = {Jaiswal, Adhish and Das, Raja and Vivekanand, K. and Maity, Tuhin and Abraham, Priya Mary and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000276938100029, title = {On the magnetic and dielectric properties of nickel-neoprene nanoconaposites}, journal = {Materials Chemistry and Physics}, volume = {121}, number = {1-2}, year = {2010}, month = {MAY}, pages = {154-160}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Nickel nanocomposites were prepared by incorporating nickel nanoparticles in a neoprene matrix according to a specific recipe for various loadings of nickel particles. The dielectric properties of these composites were evaluated for different frequencies ranging from 100 kHz to 8 MHz at different temperatures from 30 degrees C to 120 degrees C. The dielectric permittivity increases with increase of nickel concentration. Increase in temperature enhances the permittivity initially, till 40 degrees C and thereafter the permittivity decreases. The dielectric loss exhibits relaxation peaks and the peaks shift to lower frequencies with increase in volume fraction of the nickel nanoparticles in the matrix. The evaluation of magnetic and dielectric properties of these composites suggests that the dielectric permittivity can be tailored by an appropriate loading of the filler using semi-empirical equations and the magnetic properties vary according to simple mixture equations. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Composite materials, dielectric properties, Elastomers, magnetic properties}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2010.01.006}, author = {Jamal, E. Muhammad Abdul and Joy, Pattayil Alias and Kurian, Philip and Anantharaman, Maliemadom R.} } @article { ISI:000278305600001, title = {Magnetic, dielectric and complex impedance spectroscopic studies of nanocrystalline Cr substituted Li-ferrite}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {322}, number = {18}, year = {2010}, month = {SEP}, pages = {2629-2633}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nanocrystalline Li0.5Fe2.5-xCrxO4 (2.5 \<= x \>= 0) ferrites were prepared by a sol-gel autocombustion route. X-ray diffraction was employed to confirm the cubic spinel phase formation of the ferrites. The lattice parameter decreases with increase in Cr content. The saturation magnetization, coercivity and remanance were studied as a function of Cr content. The dielectric constant and dielectric loss were measured as a function of frequency in the frequency range 20 Hz-1 MHz. Frequency dependence of dielectric constant shows dielectric dispersion due to the Maxwell-Wagner type of interfacial polarization. In order to understand the conduction mechanism, complex impedance measurements were carried out. The substitution of chromium plays an important role in changing the dielectric and magnetic properties of lithium ferrites. (C) 2010 Published by Elsevier B.V.
}, keywords = {Complex impedance, dielectric response, Ferrites, Magnetic hysteresis, Sol-gel synthesis, X-ray diffraction}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2010.03.005}, author = {Hankare, P. P. and Patil, R. P. and Sankpal, U. B. and Garadkar, K. M. and Sasikala, R. and Tripathi, A. K. and Mulla, Imtiaz S.} } @article { ISI:000276615500006, title = {On the magnetic, mechanical and rheological properties of rubber-nickel nanocomposites}, journal = {Polymer Bulletin}, volume = {64}, number = {9}, year = {2010}, month = {MAY}, pages = {907-923}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Rubber-nickel nanocomposites were synthesized by incorporating freshly prepared nanometric nickel particles in two different matrices namely natural rubber and neoprene rubber according to specific recipes for various loadings of nano nickel and the cure characteristics of these composites were evaluated. The maximum torque values register an increase with the increase in loading of nickel in both composites and this is attributed to the non-interacting nature of nickel nanoparticles with rubber matrices. The cure time of natural rubber composites decreases with increase in the content of nickel, and in neoprene rubber cure, time increases with increase in filler content. In natural rubber, the curing reaction seems to be activated by the presence of nickel particles. The magnetization studies of the composites reveal that the magnetic properties of nickel are retained in the composite samples. The elastic modulus of natural rubber and neoprene rubber are largely improved by the incorporation of nickel particles.
}, keywords = {Cure characteristics, Elastic modulus, magnetic properties, Nanocomposites}, issn = {0170-0839}, doi = {10.1007/s00289-009-0231-z}, author = {Jamal, E. Muhammad Abdul and Joy, Pattayil Alias and Kurian, Philip and Anantharaman, Maliemadom R.} } @conference { ISI:000287122200024, title = {Mathematical modeling and simulation of bubble column reactor for aerial liquid phase cyclohexane oxidation}, booktitle = {International Conference on Modeling, Optimization, and Computing}, series = {AIP Conference Proceedings}, volume = {1298}, year = {2010}, note = {International Conference on Modeling, Optimization, and Computing, Durgapur, INDIA, OCT 28-30, 2010}, month = {OCT}, pages = {151-159}, publisher = {Natl Inst Technol Durgapur; SERC, Dept Sci \& Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist Defence}, organization = {Natl Inst Technol Durgapur; SERC, Dept Sci \& Technol; Caledonian Coll Engn; BRNS, Dept Atom Energy; DRDO, Minist Defence}, address = {2 Huntington Quadrangle, STE 1no1, Melville, NY 11747-4501 USA}, abstract = {
Cyclohexane oxidation is an important but complex commercial reaction, wherein the desired product, K-A oil appears as an intermediates of the reaction sequence. A mathematical model has been developed for the bubble column reactor operating under isothermal conditions. The mass and energy model equations consisted of stiff ODEs. The model was applied to describe the behavior of bubble column reactor for aerial liquid phase cyclohexane oxidation. Effect of initial substrate concentration, catalyst loading and temperature was studied and discussed in detail. Conclusions were presented at the end of the study.
}, keywords = {K-A Oil Selectivity, Mathematical modeling, substrate conversion and product yield analysis}, isbn = {978-0-7354-0854-8}, issn = {0094-243X}, doi = {10.1063/1.3516293}, author = {Upkare, Makarand M. and Rajurkar, Kalpendra B. and Gupta, Pankaj R. and Jaganathan, Rengaswamy}, editor = {Paruya, S. and Kar, S. and Roy, S} } @article { ISI:000277280500019, title = {Measurements and molecular interactions for N,N-dimethylformamide with ionic liquid mixed solvents}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {18}, year = {2010}, month = {MAY}, pages = {6126-6133}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
To understand the molecular interactions between N,N-dimethylformamide (DMF) with two families of ionic liquids (ILs), we have measured thermophysical properties such as densities (rho) and ultrasonic sound velocities (a) over the whole composition range at 25 degrees C under atmospheric pressure. The excess molar volume (V(E)) and the deviation in isentropic compressibilities (Delta K(s)) were predicted using these properties as a function of the concentration of IL. These results are fitted to the Redlich-Kister polynomials. The materials investigated in the present study included two families of ILs such as ammonium salts and imidazolium salts. Diethylammonium acetate ([Et(2)NH][CH(3)COO], DEAA), triethylammonium actetate ([Et(3)NH][CH(3)COO], TEAA), triethylammonium dihydogen phosphate ([Et(3)NH][H(2)PO(4)], TEAP), and triethylammonium sulfate ([Et(3)NH][HSO(4)], TEAS) are ammonium salts and l-benzy1-3-methylimidazolium chloride (Bmiml[Cl]) belongs to the imidazolium family. The intermolecular interactions and structural effects were analyzed on the basis of the measured and the derived properties. A qualitative analysis of the results is discussed in terms of the ion dipole, ion-pair interactions, and hydrogen bonding between ILs and DMF molecules and their structural factors.
}, issn = {1520-6106}, doi = {10.1021/jp101209}, author = {Attri, Pankaj and Reddy, P. Madhusudan and Venkatesu, P. and Kumar, Anil and Hofman, T.} } @article { ISI:000274929000012, title = {Melting characteristics of superlattices of alkanethiol-capped gold nanoparticles: the {\textquoteleft}{\textquoteleft}excluded{\textquoteright}{\textquoteright} story of excess thiol}, journal = {Chemistry of Materials}, volume = {22}, number = {5}, year = {2010}, month = {MAR}, pages = {1680-1685}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Melting characteristics of gold nanoparticle superlattices obtained from nanoparticles capped by alkanethiols of different chain lengths (octane, dodecane and hexadecane) have been investigated. The alkanethrol capped nanoparticles were synthesized by the well-established digestive ripening method It is observed that as the chain length Of the thiol increases, the propensity to form superlattices decreases and the melting of the superlattice is observed at lower temperature However, the Formation of the 3D superlattice is critically dependent on the presence of {\textquoteleft}{\textquoteleft}excess{\textquoteright}{\textquoteright} thiol as determined from thermogravimetric and transmission electron microscope analysis. In the absence of {\textquoteleft}{\textquoteleft}excess{\textquoteright}{\textquoteright} thiol, only 2D hexagonally close-packed arrangements were seen
}, issn = {0897-4756}, doi = {10.1021/cm9031607}, author = {Sidhaye, Deepti S. and Bhagavatula L. V. Prasad} } @article { ISI:000283204900015, title = {Micro-/meso-porous stannosilicate composites (Sn-MFI/MCM-41) via two-step crystallization process: process parameter-phase relationship}, journal = {Microporous and Mesoporous Materials}, volume = {136}, number = {1-3}, year = {2010}, month = {DEC}, pages = {115-125}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Sn-MFI/MCM-41 composite material was successfully synthesized by monitoring the re-crystallization time in a simple two-step crystallization process. The length of period allowed for the recrystallization of the precursor species was found to be a controlling factor to achieve either the end members viz. Sn-MCM-41 and Sn-MFI or Sn-MFI/MCM-41 composite material. Powder XRD, FTIR, SEM, TEM, nitrogen sorption measurement, DRUV-vis and hydroxyalkylation of p-cresol reaction were used as the characterization tools. Attempts were also made to establish the relationship between type of phase formed and the process parameters such as aging time, re-crystallization temperature, time and molar ratios of TPAOH/SiO(2), CTMABr/SiO(2) and SiO(2)/SnO(2) in the gel. (C) 2010 Elsevier Inc. All rights reserved.
}, keywords = {composites, Crystallization, Micro-/meso-porous stannosilicate, p-Cresol hydroxyalkylation, Sn-MCM-41, Sn-MFI}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2010.08.005}, author = {Niphadkar, Prashant S. and Garade, Ajit C. and Jha, Ratnesh Kumar and Rode, Chandrashekhar V. and Joshi, Praphulla N.} } @article { ISI:000274424100003, title = {Mild, efficient, and regioselective monobromination of arylamines and phenols using [BBIm]Br-3 as a new reagent}, journal = {Synthetic Communications}, volume = {40}, number = {5}, year = {2010}, month = {APR}, pages = {PII 919083074}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
We report here an efficient method for the synthesis and characterization of the room-temperature ionic liquid 1,3-di-n-butylimidazolium tribromide ([BBIm]Br-3) (2) and its application as an efficient reagent and solvent for regioselective bromination of arylamines and phenols under mild conditions. The bromination was carried out in the absence of organic solvents, and in most cases, the only extraction solvent needed was water. The spent 1,3-di-n-butylimidazolium bromide (1) was easily recycled.
}, keywords = {Ionic liquid, monobromination, Regioselective, Solvent-free, [BBIm]Br3}, issn = {0039-7911}, doi = {10.1080/00397910903009430}, author = {Borikar, Sanjay P. and Daniel, Thomas and Paul, Vincent} } @article {42579, title = {Mn-doped nanocrystals in light-emitting diodes: energy-transfer to obtain electroluminescence from quantum dots}, journal = {Applied Physics Letters}, volume = {97}, year = {2010}, month = {SEP}, pages = {Article number: 113502}, abstract = {
We fabricatelight-emitting diodes(LEDs) based on Mn-doped ZnSnanocrystals along with hole-transporting bis(3-methylphenyl)--diphenyl-benzidine (TPD). With Mn-doping, ZnSnanostructures exhibit a strong photoluminescence. The LEDs exhibit electroluminescence(EL) from Mn-doped ZnSquantum dots and TPD. In order to open up channels for energy-transfer from TPD to quantum dots and to achieve EL from only the nanoparticles, we grow core-shell nanoparticles with Mn-doped ZnS in the core and CdS as the shell layer. Excitons formed in TPD can now transfer their energy directly to the shell-layer to yield EL from only the nanoparticles.
}, doi = {10.1063/1.3489099}, author = {Rath, Arup Kumar and Bhaumik, Saikat and Pal, Amlan J.} } @article { ISI:000284743900017, title = {Model study of effect of M = Li+, Na+, Be2+, Mg2+, and Al3+ ion decoration on hydrogen adsorption of metal-organic framework-5}, journal = {International Journal of Hydrogen Energy}, volume = {35}, number = {23, SI}, year = {2010}, month = {DEC}, pages = {12846-12857}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The effect of light metal ion decoration of the organic linker in metal organic framework MOF 5 on its hydrogen adsorption with respect to its hydrogen binding energy (Delta B E) and gravimetric storage capacity is examined theoretically by employing models of the form MC6H6 nH(2) where M = Li+ Na+ Be2+ Mg2+ and Al3+ A systematic investigation of the suitability of DFT functionals for studying such systems is also carried out Our results show that the interaction energy (Delta E) of the metal ion M with the benzene ring Delta B E and charge transfer (Q(trans)) from the metal to benzene ring exhibit the same increasing order Na+ \< Li+ \< Mg2+ \< Be2+ \< Al3+ Organic hnker decoration with the above metal ions strengthened H-2 MOF 5 interactions relative to its pure state However amongst these ions only Mg2+ ion resulted in Delta B E magnitudes that were optimal for allowing room temperature hydrogen storage applications of MOF 5 A much higher gravimetric storage capacity (6 15 wt \% H-2) is also predicted for Mg2+ decorated MOF 5 as compared to both pure MOF 5 and Li+ decorated MOF (C) 2010 Professor T Nejat Veziroglu Published by Elsevier Ltd All rights reserved
}, keywords = {Binding energy, Hydrogen adsorption, Hydrogen storage, Metal organic frameworks}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2010.08.054}, author = {Maark, Tuhina Adit and Pal, Sourav} } @article { ISI:000273066200048, title = {Modular total synthesis of aculeatins A, B, E, F and 6-epi-aculeatins E, F}, journal = {Tetrahedron}, volume = {66}, number = {1}, year = {2010}, month = {JAN}, pages = {390-399}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The total synthesis of aculeatins A, B. E and F confirming the assigned absolute configuration of recently isolated aculeatins E and F is documented. A convergent approach has been designed by the addition of both the terminal units (phenol and side chain) at an advanced stage. The central 1,3,5-triol unit with the requisite stereochemistry was prepared from the commercially available alpha-D-glucoheptonic-gamma-lactone. Selective O-debenzylation during the hydrogenolysis of the diyne intermediate and the one pot phenolic oxidation with concomitant spiroketalization highlight the accomplished total syntheses. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {aculeatins, Alkyne-oxirane coupling, Natural products synthesis, Oxidative spiroketalization, Sonogashira coupling}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.10.058}, author = {Ramana, C. V. and Pandey, Sunil Kumar} } @article { ISI:000274375500003, title = {Molecular cloning, over expression, and activity studies of a peptidic HIV-1 protease inhibitor: designed synthetic gene to functional recombinant peptide}, journal = {Peptides}, volume = {31}, number = {1}, year = {2010}, month = {JAN}, pages = {16-21}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
The aspartic protease inhibitor (ATBI) purified from a Bacillus sp. is a potent inhibitor of several proteases including recombinant HIV-1 protease, pepsin, and fungal aspartic protease. In this study, we report the cloning, and over expression of a synthetic gene coding for ATBI in Escherichia coli and establish a purification Protocol. The ATBI molecule consists of eleven amino acids and is peptidic in nature. We used the peptide sequence data of ATBI to synthesize complementary oligonucleotides, which were annealed and subsequently cloned in-frame with the gene for glutathione-S-transferase (GST). The expression of the resulting fusion protein was induced in E. coli BL21-A1 cells using arabinose. The recombinant peptide was Purified using a reduced glutathione column, and cleaved with Factor Xa to remove the GST tag. The resultant product was further purified to homogeneity using RP-HPLC. Mass spectroscopy analysis revealed that the purified peptide had a molecular weight of 1186 Da which matches the theoretical molecular weight of the amino acids present in the synthetic gene. The recombinant peptide was found to be active in vitro against HIV-1 protease, pepsin, and fungal aspartic protease. The protocol described in this study may be used to clone pharmaceutically important peptide molecules. (C) 2009 Elsevier Inc. All rights reserved.
}, keywords = {Gateway cloning, HIV-1 protease, inhibitor, Proteases, Synthetic gene}, issn = {0196-9781}, doi = {10.1016/j.peptides.2009.09.034}, author = {Vathipadiekal, Vinod and Umasankar, Perunthottathu K. and Patole, Milind S. and Rao, Mala} } @article { ISI:000274432400021, title = {Molecular electric dipole moments using the GVVPT2 variant of multireference perturbation theory}, journal = {Chemical Physics Letters}, volume = {487}, number = {1-3}, year = {2010}, month = {FEB}, pages = {116-121}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A Lagrangian approach for electric dipoles within second order Generalized Van Vleck Perturbation Theory (GVVPT2) is presented. The Lagrangian approach for this response property requires that only one, perturbation-independent, set of simultaneous equations needs to be solved. The presented formulation is demonstrated numerically on several well studied molecules at their equilibrium bond lengths and on the complete potential energy curves of the ground and first excited states of LiH. Numerical corroboration of the expected continuity for molecular properties for the GVVPT2 method is observed. It is seen that the GVVPT2 electric dipoles are in good agreement with experiment and with other high accuracy theoretical methods. (C) 2010 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2010.01.003}, author = {Theis, Daniel and Khait, Yuriy G. and Pal, Sourav and Hoffmann, Mark R.} } @article { ISI:000275755500010, title = {Monitoring structural defects and crystallinity of carbon nanotubes in thin films}, journal = {Pramana-Journal of Physics}, volume = {74}, number = {3}, year = {2010}, month = {MAR}, pages = {447-455}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
We report the influence of catalyst formulation and reaction temperature on the formation of carbon nanotube (CNT) thin films by the chemical vapour deposition (CVD) method. Thin films of CNTs were grown on Fe-Mo/Al(2)O(3)-coated silicon wafer by thermal decomposition of methane at different temperatures ranging from 800 to 1000A degrees C. The electron microscopic investigations, SEM as well as HRTEM, of the as-grown CNT thin films revealed the growth of uniform multi-walled CNTs in abundance. The intensity ratio of D-band to G-band and FWHM of G-band through Raman measurements clearly indicated the dependency of structural defects and crystallinity of CNTs in thin films on the catalyst formulation and CVD growth temperature. The results suggest that thin films of multi-walled CNTs with negligible amount of defects in the nanotube structure and very high crystallinity can be obtained by thermal CVD process at 925A degrees C.
}, keywords = {Carbon nanotubes, chemical vapour deposition, Raman spectroscopy, scanning electron microscopy, Thin films}, issn = {0304-4289}, doi = {10.1007/s12043-010-0040-9}, author = {Mahajan, S. S. and Bambole, M. D. and Gokhale, S. P. and Gaikwad, A. B.} } @article { ISI:000286021300025, title = {Multistate unfolding of alpha-mannosidase from Canavalia ensiformis (Jack Bean): evidence for the thermostable molten globule}, journal = {Biochemical and Biophysical Research Communications}, volume = {403}, number = {3-4}, year = {2010}, month = {DEC}, pages = {391-397}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The relevance of partially ordered states of proteins (such as the molten-globule state) in cellular processes is beginning to be understood. We examined the conformational transitions in a multimeric and high molecular weight class II alpha-mannosidase from Canavalia ensiformis (Jack Bean) (Jb alpha-man) utilizing intrinsic fluorescence, solute quenching, hydrophobic dye binding, size exclusion chromatography and circular dichroism (CD) spectroscopy for the protein in presence of Guanidine hydrochloride (GdnHCl). The decomposition analysis of the protein spectra obtained during unfolding showed progressive appearance of class S, I, II and III trp. The parameter A and spectral center of mass showed multi state unfolding of the protein and phase diagram analysis revealed formation of an intermediate of Jb alpha-man in the vicinity of 1 M GdnHCl. The intermediate exhibited compact secondary and distorted tertiary structure with exposed hydrophobic amino acids on the surface, indicating the molten-globule nature. The dissociation, partial unfolding and aggregation of Jb alpha-man occurred simultaneously during chemical denaturation. The molten-globule possessed slightly higher hydrodynamic radius, perturbance in the structure up to 60 degrees C and stability of the structure up to 80 degrees C unlike the native Jack Bean alpha-mannosidase. The modes of chemical and thermal denaturation of the native protein were different. The solute quenching parameters confirmed the altered confirmation of the intermediate. Taken together, our results constitute one of the early reports of formation of GdnHCl induced molten globule in a class II alpha-mannosidase. (C) 2010 Elsevier Inc. All rights reserved.
}, keywords = {alpha-Mannosidase, Circular dichroism, fluorescence, Guanidine hydrochloride, Molten globule, Thermostability, Unfolding}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2010.11.041}, author = {Kumar, Avinash and Gaikwad, Sushama M.} } @article { ISI:000284664500025, title = {NaIO4/LiBr-mediated aziridination of olefins using chloramine-T}, journal = {Tetrahedron Letters}, volume = {51}, number = {49}, year = {2010}, month = {DEC}, pages = {6460-6462}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A new milder protocol for aziridination of a variety of olefins has been described. The process employs catalytic amount of sodium metaperiodate (NaIO4) as an oxidant and LiBr and chloramine-T as the bromine and nitrogen sources, respectively. Interestingly, the formation of aziridine products in all the cases studied takes place presumably through a process of 1,2-aminobromination of alkenes. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Aziridination, Chloramine-T, Lithium bromide, Olefin, Sodium metaperiodate}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.10.005}, author = {Karabal, Pratibha U. and Chouthaiwale, Pandurang V. and Shaikh, Tanveer M. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000281058900005, title = {Nanogold-Loaded sharp-edged carbon bullets as plant-gene carriers}, journal = {Advanced Functional Materials}, volume = {20}, number = {15}, year = {2010}, month = {AUG}, pages = {2416-2423}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
The higher DNA delivery efficiency into plants by gold nanoparticles embedded in sharp carbonaceous carriers is demonstrated. These nanogold-embedded carbon matrices are prepared by heat treatment of biogenic intracellular gold nanoparticles. The DNA-delivery efficiency is tested on a model plant, Nicotiana tabacum, and is further extended to the monocot, Oryza sativa, and a hard dicot tree species, Leucaena leucocephala. These materials reveal good dispersion of the transport material, producing a greater number of GUS foci per unit area. The added advantages of the composite carrier are the lower plasmid and gold requirements. Plant-cell damage with the carbon-supported particles is very minimal and can be, gauged from the increased plant regeneration and transformation efficiency compared with that of the commercial micrometer-sized gold particles. This is ascribed to the sharp edges that the carbon supports possess, which lead to better piercing capabilities with minimum damage.
}, issn = {1616-301X}, doi = {10.1002/adfm.200901883}, author = {Vijayakumar, Periyasamy S. and Othalathara U. Abhilash and Khan, Bashir Mohammad and Bhagavatula L. V. Prasad} } @article { ISI:000279514400059, title = {Nanoscale modulation of electronic states across unit cell steps on the surface of an epitaxial colossal magnetoresistance manganite film}, journal = {Applied Physics Letters}, volume = {96}, number = {26}, year = {2010}, month = {JUN}, pages = {Article No. 263108}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
The nature of electronic states near the edge of unit cell steps on the surface of epitaxial La(0.7)Sr(0.3)MnO(3) (LSMO) thin films grown by real-time reflection high energy electron diffraction monitored pulsed laser deposition is examined by scanning tunneling microscopy and scanning tunneling spectroscopy techniques. It is observed that the electronic states are strongly modulated near the step edge with considerably high gap at the edge and low gap on the terrace. This modulation weakens at low temperature. The temperature evolution of the density of states and the nature of gap in deep metallic state of LSMO are also discussed. (C) 2010 American Institute of Physics. [doi:10.1063/1.3455886]
}, keywords = {colossal magnetoresistance, electronic density of states, lanthanum compounds, magnetic epitaxial layers, Nanostructured materials, pulsed laser deposition, reflection high energy electron diffraction, scanning tunnelling microscopy, scanning tunnelling spectroscopy, strontium compounds}, issn = {0003-6951}, doi = {10.1063/1.3455886}, author = {Rana, Abhimanyu and Bogle, Kashinath A. and Game, Onkar S. and Patil, Shankar and Valanoor, Nagarajan and Ogale, Satishchandra B.} } @article { ISI:000274058400003, title = {Nature of the acid sites in the metal triflates immobilized in SBA-15 and their role in the friedel-crafts acylation of naphthalene}, journal = {Applied Catalysis A-General}, volume = {372}, number = {2}, year = {2010}, month = {JAN}, pages = {130-137}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The Zn-triflate molecules loaded (5-30 mol\%) in mesoporous SBA-15 silicate exhibited considerably higher catalytic activity for liquid-phase Friedel-Crafts (FC) acylation of naphthalene with p-toluoyl chloride, as compared to the corresponding triflates of La, Ce and Y. In situ FTIR studies revealed that the triflate molecules occluded in the channels of SBA-15 may cause severe perturbation of surface hydroxyl groups, without undergoing an electronic binding. The metal cations of the triflate molecules, on the other hand, participated in direct bonding of the reactant molecules and also helped in the formation of some Bronsted type surface acid sites. This article discusses the role of the acid sites generated on occlusion of metal triflates in SBA-15, as monitored by using NH(3)-TPD and pyridine-IR spectroscopy, in the Friedel-Crafts acylation of naphthalene. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Acylation, Mesoporous silica, Metal triflate, Naphthalene}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.10.021}, author = {Selvakumar, S. and Gupta, Narendra M. and Singh, A. P.} } @article {42578, title = {Near-IR activity of hybrid solar cells: enhancement of efficiency by dissociating excitons generated in PbS nanoparticles}, journal = {Applied Physics Letters}, volume = {96}, year = {2010}, month = {FEB}, pages = {Article no: 073505}, abstract = {
Photovoltaic devices based on PbSnanoparticles remained inactive in the near-IR region due to a not-so-favorable energy band-diagram that does not allow dissociation of excitons generated in PbS. In this work, with the introduction of nanostructures in the PbS-based hybrid system, we show an enhancement of photovoltaic performance in both visible and near-IR regions. The addition of increases the power conversion efficiency from 0.006\% to 0.12\%. With the aid of energy band-diagram, we show that excitons generated in PbS even in the near-IR range can now become dissociated to yield photocurrent in the external circuit.
}, doi = {10.1063/1.3292183}, author = {Guchhait, Asim and Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000285326300001, title = {New ATRP initiator for synthesis of cyclic carbonate-terminated poly(methyl methacrylate)}, journal = {Reactive \& Functional Polymers}, volume = {70}, number = {12}, year = {2010}, month = {DEC}, pages = {931-937}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A new ATRP initiator, viz, 2-oxo-1,3-dioxolan-4-yl-(methyl-2-bromo-2-methylpropanoate) (ODMBMP) was synthesized by the reaction of commercially available glycerol carbonate with 2-bromoisobutyrylbromide and was used to carry out ATRP reactions of methyl methacrylate (MMA) in the presence of copper chloride/N,N{\textquoteright},N{\textquoteright},N{\textquoteright}{\textquoteright}N{\textquoteright}{\textquoteright}-pentamethyldiethylenetriamine to afford low molecular weight (M(n)(GPC) = 1750-7550) cyclic carbonate-terminated poly(methyl methacrylate)s with relatively narrow molecular weight distribution (M(w)/M(n) = 1.16-1.30). Poly(methyl methacrylate)s having higher molecular weight (M(n)(GPC) = 18,250 and 44,130) could also be synthesized using ODMBMP as the ATRP initiator. The kinetic studies of bulk ATRP of MMA showed a linear relationships between both In[M](o)/[M(t)] vs time and molecular weight vs conversion indicating controlled/living polymerization. The presence of cyclic carbonate functionality in poly(methyl methacrylate)s was confirmed by FUR. (1)H NMR, and (13)C NMR spectroscopy. The reactivity of cyclic carbonate group was demonstrated by a model reaction using n-propyl amine and the results showed quantitative conversion to hydroxyl urethane group. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Atom transfer radical polymerization (ATRP), cyclic carbonate, functional polymers, poly(methyl methacrylate)}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2010.08.005}, author = {Palaskar, Dnyaneshwar V. and Sane, Prakash S. and Wadgaonkar, Prakash P.} } @article { ISI:000280311500048, title = {New N-substituted ABPBI: synthesis and evaluation of gas permeation properties}, journal = {Journal of Membrane Science}, volume = {360}, number = {1-2}, year = {2010}, month = {SEP}, pages = {418-425}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Aromatic poly(2,5-benzimidazole), ABPBI was post-modified for the first time to produce organosoluble N-substituted ABPBI. This modification was carried out by N-substitution of ABPBI with bulky alkyl groups, viz., 4-tert-butylbenzyl and methylene trimethylsilyl in an attempt to utilize high rigidity of ABPBI towards gas permeation. These substituted polymers exhibited solubility in common organic solvents, enhancing their processability than ABPBI, which is soluble only in acidic solvents. Considerable decrease in chain packing density led to increase in gas sorption as that of unsubstituted ABPBI. The permeability of pure gases of commercial significance (He, H(2), N(2), O(2), CH(4) and CO(2)) were high, coupled with attractive selectivities. In comparison to conventional PBI, methylene trimethylsilyl substituted ABPBI led to considerably high (33 folds) CO(2) permeability with almost similar selectivity (P(CO2)/P(N2) approximate to 33). Feasibility of these N-substituted ABPBIs to be converted in to required membrane form along with its considerably higher permeation properties depicted the potential of this polymer to be used as gas separation material. Gas diffusion coefficients were estimated from solubility and permeability coefficient. These, along with dual-mode sorption parameters estimated from sorption isotherms provided an insight towards variations in permeation behavior caused by the substitution. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {5-benzimidazole), Diffusion, Gas permeation, N-Substitution, Poly(2, Sorption}, issn = {0376-7388}, doi = {10.1016/j.memsci.2010.05.041}, author = {Kumbharkar, Santosh C. and Kharul, Ulhas K.} } @article { ISI:000280708400032, title = {New organic-inorganic hybrid microporous organosilica having high metal ion adsorption capacity}, journal = {Physical Chemistry Chemical Physics}, volume = {12}, number = {32}, year = {2010}, month = {JUL}, pages = {9389-9394}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new microporous organic-inorganic hybrid organosilica LHMM-2 containing a bis(propyliminomethyl)benzene moiety inside the framework has been synthesized hydrothermally without using any template or structure-directing agent. Powder XRD and TEM image analyses suggest a new disordered microporous structure with pores of dimension ca. 0.54 nm, and C-13 and Si-29 MAS NMR and spectroscopic results indicate the presence of bridging organic bis(propyliminomethyl) benzene moiety in this framework. TPD-NH3 results suggested that nearly 5 times as much bis(propyliminomethyl) benzene moiety is located inside the micropore walls (matrix) than in the surface of the pores. LHMM-2 shows very high adsorption capacity for metal cations like Fe3+, Cu2+ and Zn2+.
}, issn = {1463-9076}, doi = {10.1039/b925619a}, author = {Paul, Manidipa and Pal, Nabanita and Rajamohanan, P. R. and Rana, Bharat S. and Sinha, Anil K. and Bhaumik, Asim} } @article {42453, title = {N-heterocyclic carbene-catalyzed cascade reaction involving the hydroacylation of unactivated alkynes}, journal = {Journal of the American Chemical Society}, volume = {132}, year = {2010}, month = {APR}, pages = {5970{\textendash}5971}, abstract = {
The N-heterocyclic carbene (NHC)-catalyzed hydroacylation of unactivated alkynes to provide α,β-unsaturated ketones is reported. In addition, a rare case of an efficient and selective dually NHC-catalyzed cascade reaction involving the hydroacylation of alkynes and a subsequent intermolecular Stetter reaction allows the formation of chromanones containing a 1,4-diketone moiety.
}, doi = {10.1021/ja102130s}, author = {Biju, Akkattu T. and Wurz, Nathalie E. and Glorius, Frank} } @article { ISI:000279958200023, title = {Nitrophenoxy groups containing polybenzimidazoles as polymer electrolytes for fuel cells: synthesis and characterization}, journal = {Journal of Applied Polymer Science}, volume = {117}, number = {6}, year = {2010}, month = {SEP}, pages = {3282-3292}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Polybenzimidazoles containing different contents of pendant nitrophenoxy groups were prepared by condensation of 3,3{\textquoteright}-diamino-benzidine with a mixture of 3,5-dicarboxyl-4{\textquoteright}-nitro diphenyl ether and isophthalic acid (IPA) in different ratios in polyphosphoric acid. The polymers are soluble in polar aprotic solvents, they have inherent viscosities in the range of 0.75-1.10 dL g(-1) and they form tough and transparent films on solution casting. They have good thermal stability with initial decomposition temperature ranging from 380 to 416 degrees C in nitrogen, good tensile strength ranging from 56 to 65 MPa and reasonably good oxidative stability. Phosphoric acid uptake of these polymers is low compared with PBI and membranes doped with phosphoric acid exhibit good proton conductivity in the range of 6.6x 10(-3) to 1.9x 10(-2) S/cm at 25 degrees C and 1.2x 10(-2) to 4.9x 10(-2) S/cm at 175 degrees C, compared with 3.9x 10(-3) S/cm at 25 degrees C and 3.2x 10(-2) S/cm at 175 degrees C for PBI. These membranes are suitable for applications as polymer electrolyte for fuel cell and presumably for gas separation at high temperature. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 117: 3282-3292, 2010
}, keywords = {Characterization, membranes, pendant nitrophenoxy group, polybenzimidazoles, proton conductivity, synthesis}, issn = {0021-8995}, doi = {10.1002/app.30279}, author = {Kulkarni, Mahesh and Potrekar, Ravindra and Kulkarni, R. A. and Vernekar, S. P.} } @article { ISI:000274424100004, title = {N-nitrosation of secondary amines using p-TSA-NaNO2 as a novel nitrosating agent under mild conditions}, journal = {Synthetic Communications}, volume = {40}, number = {5}, year = {2010}, month = {FEB}, pages = {PII 919082658}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A combination of p-toluenesulfonic acid (p-TSA) and sodium nitrite was used as a novel effective nitrosating agent for the N-nitrosation of secondary amines to their corresponding nitroso derivatives under mild and heterogeneous conditions in moderate to excellent yields.
}, keywords = {N-nitrosation, nitroso amines, p-toluenesulfonic acid, secondary amines}, issn = {0039-7911}, doi = {10.1080/00397910903009448}, author = {Borikar, Sanjay P. and Paul, Vincent} } @article { ISI:000277529700013, title = {NO reduction under diesel exhaust conditions over Au/Al2O3 prepared by deposition-precipitation method}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {322}, number = {1-2}, year = {2010}, month = {MAY}, pages = {90-97}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Gold supported on alumina was prepared by urea deposition-precipitation method and compared to silver supported on alumina for the selective catalytic reduction of NO by hydrocarbons under lean conditions. The catalyst showed activity in the reduction of NO and 100\% selectivity towards N-2 in the temperature range 300-350 degrees C. At higher temperature the NO conversion decreased due to competitive oxidative reactions of the reductants. XPS analysis confirmed the good stability of gold nanoparticles deposited on alumina. Infrared studies showed the formation of various adsorbed species (formates, carboxylates, ad-NOx and cyanide) on the catalyst surface. Addition of H-2 to the feed containing decane enhanced the formation of these species on the catalyst surface as well as the catalytic activity for the NO conversion to N-2. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Deposition-precipitation, Gold, In situ IR, NO reduction, XPS}, issn = {1381-1169}, doi = {10.1016/j.molcata.2010.02.024}, author = {Miguel, P. and Granger, P. and Jagtap, Neelam and Shubhangi B. Umbarkar and Dongare, Mohan K. and Dujardin, Christophe} } @article {43241, title = {Non-covalent interactions in extended systems described by the effective fragment potential method: theory and application to nucleobase oligomers}, journal = {Journal of Physical Chemistry A}, volume = {114}, year = {2010}, month = {NOV}, abstract = {The implementation of the effective fragment potential (EFP) method within the Q-CHEM electronic structure package is presented. The EFP method is used to study noncovalent π-π and hydrogen-bonding interactions in DNA strands. Since EFP is a computationally inexpensive alternative to high-level ab initio calculations, it is possible to go beyond the dimers of nucleic acid bases and to investigate the asymptotic behavior of different components of the total interaction energy. The calculations demonstrated that the dispersion energy is a leading component in π-stacked oligomers of all sizes. Exchange-repulsion energy also plays an important role. The contribution of polarization is small in these systems, whereas the magnitude of electrostatics varies. Pairwise fragment interactions (i.e., the sum of dimer binding energies) were found to be a good approximation for the oligomer energy.}, author = {Ghosh, Debashree and Kosenkov, Dmytro and Vanovschi, Vitalii and Williams, Christopher F. and Herbert, John M. and Gordon, Mark S. and Schmidt, Michael W. and Slipchenko, Lyudmila V. and Krylov, Anna I.} } @article { ISI:000277449500003, title = {Novel addition-fragmentation agent in cationic photopolymerization}, journal = {Polymer Bulletin}, volume = {65}, number = {1}, year = {2010}, month = {JUN}, pages = {25-34}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The aim of present study is to examine the photo-initiation efficiency of N,N-dimethylacrylamide-based allylic ammonium salt as one component addition-fragmentation agent (cationic photoinitiator cum radical source) in free radical accelerated cationic polymerization. Novel addition-fragmentation agent (AFA), 2-(N,N-dimethylcarboxy-3-propenyl)(phenylcarbonyl-4-phenylene) dimethyl ammonium hexafluoroantimonate (DMPDA) was synthesized as cationic photoinitiator and its initiation efficiency was examined in polymerization of cyclohexene oxide (CHO), isobutyl vinyl ether (IBVE), and n-butyl vinyl ether (n-BVE) in CH(2)Cl(2) solvent at wavelength lambda \> 290 nm. The rate of polymerization increases with the increase in initiator concentration and reaction time. The results demonstrate that DMPDA acts as an efficient photoinitiator (AFA) without use of radical source in free radical accelerated cationic polymerization.
}, keywords = {Addition-fragmentation agent, Ammonium salt, Benzophenone, Cationic polymerization, Onium salt, Photopolymerization}, issn = {0170-0839}, doi = {10.1007/s00289-009-0182-4}, author = {Gupta, Mukesh Kumar and Mehare, Rupali S. and Singh, Raj Pal} } @article { ISI:000276374700004, title = {Novel bifunctional peptidic aspartic protease inhibitor inhibits chitinase A from Serratia marcescens: kinetic analysis of inhibition and binding affinity}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1800}, number = {5}, year = {2010}, month = {MAY}, pages = {526-536}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Background: Chitinase inhibitors have chemotherapeutic potential as fungicides, pesticides and antiasthmatics. The majority of chitinase inhibitors reported are natural products like argifin, argifin linear fragments, argadin, allosamidin and disulfide-cyclized peptides. Here, we report a novel peptidic inhibitor API (Aspartic Protease Inhibitor), isolated from Bacillus licheniforrnis that inhibits chitinase A (ChiA) from Serratia marcescens. Methods: The binding affinity of API with ChiA and type of inhibition was determined by the inhibition kinetics assays. Fluorescence and CD spectroscopic analysis and chemical modification of API with different affinity reagents elucidated the mechanism of binding of API with ChiA. Results and conclusions: The peptide has an amino acid sequence N-Ile(1)-Cys(2)-Glu(3)-Ala(4)-Glu(5)-His(6)-Lys(7)-Trp(8)-Gly(9)-Asp(10) -Tyr(11)-Leu(12)-Asp(13)-C. The ChiA-API kinetic interactions reveal noncompetitive, irreversible and tight binding nature of API with I-50= 600 nM and K-i = 510 nM in the presence of chromogenic substrate pnitrophenyl-N,N{\textquoteright}-diacetyl-beta-chitobioside[p-NP-(GIcNAc)(2)]. The inhibition progress curves show a two-step slow tight binding inhibition mechanism with the rate constant k(5) = 8.7 +/- 1 x 10(-3) s(-1) and k(6) = 7.3 +/- 0.6 x 10(-5) s(-1). CD-spectra and tryptophanyl fluorescence analysis of ChiA incubated with increasing API concentrations confirms conformational changes in enzyme structure which may be due to irreversible denaturation of enzyme upon binding of API. Chemical modifications by WRK abolished the anti-chitinase activity of API and revealed the involvement of carboxyl groups in the enzyme inactivation. Abolished isoindole fluorescence of OPTA-labeled ChiA demonstrates the irreversible denaturation of ChiA upon incubation with API for prolonged time and distortion of active site of the enzyme. General significance: The data provide useful information that could lead to the generation of drug-like, natural product-based chitinase inhibitors. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Aspartic protease inhibitor, Bacillus licheniformis, Chitinase A, Enzyme kinetics, Slow tight binding inhibition}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2010.01.014}, author = {Kumar, Ajit and Rao, Mala} } @article { ISI:000275434800071, title = {Novel poly(amide-hydrazide)s and copoly(amide-hydrazide)s from Bis-(4-aminobenzyl) hydrazide and aromatic diacid chlorides: synthesis and characterization}, journal = {Journal of Applied Polymer Science}, volume = {116}, number = {4}, year = {2010}, month = {MAY}, pages = {2441-2450}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
A new aromatic diamine, viz., bis-(4-aminobenzyl) hydrazide (BABH), which contains preformed hydrazide and methylene linkage, was synthesized starting from alpha-tolunitrile. The BABH and intermediates involved in its synthesis were characterized by spectroscopic methods. Novel poly(amide-hydrazide)s were synthesized by low temperature solution polycondensation of BABH with isophthaloyl chloride (IPC) and terephthaloyl chloride (TPC). Furthermore, two series of copoly(amide-hydrazide)s, based on different mol \% of BABH and bis-(4-aminophenyl) ether (ODA) with IPC/TPC were also synthesized. Poly(amidehydrazide)s and copoly(amide-hydrazide)s were characterized by inherent viscosity [eta(inh)], FTIR, solubility, X-ray diffraction (MUD), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The polycondensation proceeded smoothy and afforded the polymers with inherent viscosities in the range of 0.18-093 dL/g in (NMP + 4\% LiCl) at 30 degrees C +/- 0.1 degrees C. These polymers dissolved in DMAc, NMP or DMSO containing LiCl. The solubility of copolymers was considerably improved in line with less crystalline nature due to random placement of constituent monomers during the copolymerization. XRD data indicated that poly(amide-hydrazide)s from BABH alone and IPC/TPC had higher crystallinity than the corresponding copoly(amide-hydrazide)s derived from a mixture of BABH and bis-(4-aminophenyl) ether (ODA). Polymers showed initial weight loss around 160 degrees C which is attributed to the cyclodehydration leading to the formation of corresponding poly(amide-oxadiazole)s. Copolyamide-hydrazides showed, T(max) between 400 and 540 degrees C which is essentially the decomposition of poly(amide-oxadiazole)s. (C) 2010 Wiley Periodicals, Inc. J App Polym Sci 116: 2441-2450, 2010
}, keywords = {bis-(4-aminobenzyl) hydrazide, poly(amide-hydrazide), structure-property relations, Thermogravimetric analysis (TGA), x-ray diffractograms}, issn = {0021-8995}, doi = {10.1002/app.31849}, author = {Medhi, M. and Patil, A. S. and Halhalli, Mahadeo R. and Choubey, A. and Wadgaonkar, P. P. and Maldar, Noormahamad N.} } @article { ISI:000273405000006, title = {Novel supramolecular organogel nanotubular template approach for conducting nanomaterials}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {2}, year = {2010}, month = {JAN}, pages = {728-736}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report a unique supramolecular organogel template approach for conducting polyaniline nanomaterials. A novel organogel based on sulfonic acid dopant was designed and developed from renewable resource 3-pentadecyl phenol via ring-opening of 1,4-butane sultone. The amphiphilic dopant molecule formed thermo-reversible supramolecular organogel in highly polar solvents like alcohols. The self-assembled fibril network morphology of the gel was confirmed by scanning electron microscopy (SEM) and atomic force microscopy. Transmission electron microscopy (TEM) revealed that the inner part of the fibrous gel is nanotubular with the pore diameter of similar to 75 run. The organogel nanotubular morphology was retained even in the presence of aniline+dopant complex, and the aniline monomers occupied the hydrophobic nanopockets provided by the amphiphilic dopant. The chemical oxidative polymerization of the dopant+aniline organogel template produced well-defined polyaniline nanofibers. The polymerization was carried out at various temperatures to establish the role of the physical state and stability of the organogel on the morphology. The sulfonic acid molecule acts both as self-assembled molecular template for the synthesis of polymer nanomaterial as well as anionic counterpart for stabilizing the positively charged conducting polymer chains. The gel template played a pivotal role in directing polyaniline chains to form nanofibers and also manipulating the number of other properties such as conductivity, solubility, percent crystallinity, and solid-state ordering, etc. Temperature-dependent electrical conductivity measurements revealed that the nanomaterials showed typical linear ohmic behavior and also followed the 3-D VRH model at elevated temperatures.
}, issn = {1520-6106}, doi = {10.1021/jp909016r}, author = {Anilkumar, P. and Jayakannan, M.} } @article { ISI:000276963200003, title = {Novel synthesis and characterization of titanium superoxide and its application in organic oxidative processes}, journal = {Catalysis Surveys from Asia}, volume = {14}, number = {1}, year = {2010}, month = {MAR}, pages = {21-32}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
A novel, exceptionally stable titanium superoxide radical ion was prepared and its structure determined by FTIR, ESR, Raman spectroscopy, X-ray diffraction, thermogravimetric/differential thermal analysis and elemental analysis. This heterogeneous catalyst has been found to be effective for the selective oxidation of aromatic amines and phenols to the corresponding nitro aromatics and p-quinones, respectively. In addition, this non-toxic, inexpensive and reusable catalyst has also been used in aminobromination of olefins, which proceed to give the 1, 2-bromoaminated anti-Markovnikov product. A brief account of these results is summarized in this review.
}, keywords = {Amino Bromination, Anti-Markovnikov, heterogeneous catalyst, Oxidation, Titanium superoxide}, issn = {1571-1013}, doi = {10.1007/s10563-010-9085-5}, author = {Reddy, R. Santhosh and Shaikh, Tanveer Mahamadali and Rawat, Varun and Karabal, Pratibha U. and Dewkar, Gajanan and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000285236700003, title = {N-Type field effect transistors based on rigid rod and liquid crystalline alternating copoly(benzobisoxazole) imides containing perylene and/or naphthalene}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {50}, year = {2010}, month = {DEC}, pages = {16694-16704}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The synthesis, characterization, and device studies of poly(benzobisoxazole imide)s containing perylene or naphthalene units in an alternating fashion with the oxazole unit are described. Photoinduced energy transfer and charge separation were studied in methanesulfonic acid (MSA) solution via absorption, excitation, and steady-state fluorescence studies. Excitation of the bisoxazole moiety resulted in enhanced emission from the perylene bisimide unit as a result of FRET (Forster resonance energy transfer). The influence of the imide substitution into the linear chain of poly(benzobisoxazole) (PBO) on its solid-state packing was examined by wide-angle X-ray diffraction (WXRD) analysis. Bottom contact field effect transistors (FET) based on thermally annealed polymer films were fabricated and studied. The polymers showed n-type charge transport and current modulation with an on/off ratio greater than 10(2). It was observed that the FETs consisting of the random copolymer of bisoxazole containing both perylene as well as naphthalene bisimide units had higher performance parameters such as better mobility (mu e) and I(on)/I(off) ratio compared to those of the pristine systems.
}, issn = {1520-6106}, doi = {10.1021/jp107232u}, author = {Kolhe, Nagesh B. and Asha, S. K. and Senanayak, Satyaprasad P. and Narayan, K. S.} } @article { ISI:000275045600020, title = {Observation of photoconductivity in Sn-doped ZnO nanowires and their photoenhanced field emission behavior}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {9}, year = {2010}, month = {MAR}, pages = {3843-3849}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Sn-doped ZnO nanowire films have been Successfully synthesized by electrodeposition oil zinc foil followed by annealing in air at 400 degrees C for 4 h. The XRD patterns of the annealed specimens exhibit I set of well-defined diffraction peaks indexed to the wurtzite phase of ZnO. The Surface morphology of the as-synthesized films showed a network of densely packed flakes/sheets oil the Substrate. However, upon annealing, the formation of ZnO nanowires, processing length in the range of several micrometers and diameter less than 150 nm, oil the entire substrate is observed. The relative atomic percentage of Sri, estimated from the energy dispersive spectra, was found to be 0.5 and 2.0 in the ZnO films deposited for 10 and 40 min durations, respectively. Front the field emission studies, the Values of the turn-on field and threshold field, required to draw emission Current density of 10 and 100 mu A/cm(2), are observed to be 0.68 and 1.1 V/mu m for 0.5\% Sn-doped ZnO and 1.72 and 2.25 V/mu m for 2.0\% Sn-doped ZnO, respectively. The field emission Current stability investigated for a duration Of h at the preset value of 100 mu A is found to be excellent. A prominent photoenhancement in the field emission Current upon visible light illumination of the Sn-doped ZnO nanowires films has been observed. This enhancement has been attributed to the photoconductivity of the Sn-doped ZnO.
}, issn = {1932-7447}, doi = {10.1021/jp911080f}, author = {Sheini, Farid Jamali and More, Mahendra A. and Jadkar, Sandesh R. and Patil, K. R. and Pillai, Vijaymohanan K. and Joag, Dilip S.} } @article { ISI:000275170800011, title = {One-pot synthesis of oleic acid-capped cadmium chalcogenides (CdE: E = Se, Te) nano-crystals}, journal = {Journal of Nanoparticle Research}, volume = {12}, number = {1, SI}, year = {2010}, month = {JAN}, pages = {101-109}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Surface-capped CdSe and CdTe nano-crystals (NCs) have been synthesized using cadmium acetate, oleic acid and respective tri-octylphosphine chalcogenide (TOPE; E = Se/Te) in diphenyl ether (DPE). Well-dispersed CdSe particles showed two absorption bands at the region of 431-34 and 458-60 nm in optical absorption study. A band-edge emission resulted at 515 nm with an excitation energy of 400 nm, in its photoluminescence (PL) spectrum. Similarly, UV-visible absorption study of CdTe revealed an absorption band at \< 700 nm. The broadened X-ray diffraction (XRD) pattern showed that at higher reaction temperature cubic CdSe but hexagonal CdTe can be obtained with crystallite size of \< 10 nm. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) revealed that agglomerated particles are of spherical nature. The inter-planar spacing in CdTe was measured to be 0.406 nm, a characteristic of (100) lattice plane in hexagonal CdTe. X-ray photoelectron spectroscopy (XPS) showed that CdSe NCs have better air stability stable than CdTe. Presence of organic moiety around the semiconductor particles was confirmed by infrared (IR) spectroscopy.
}, keywords = {Chemical synthesis, photoluminescence, Semiconductors, Surface capping}, issn = {1388-0764}, doi = {10.1007/s11051-008-9581-y}, author = {Khanna, P. K. and Rao, K. Srinivasa and Patil, K. R. and Singh, V. N. and Mehta, B. R.} } @article { ISI:000284728400014, title = {Organocatalytic asymmetric synthesis of (-)-delta-coniceine based on sequential proline-catalyzed asymmetric alpha-amination-HWE olefination}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {19}, year = {2010}, month = {OCT}, pages = {2399-2401}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient asymmetric synthesis of (-)-delta-coniceine via sequential proline-catalyzed asymmetric alpha-amination and Horner-Wadsworth-Emmons olefination of an aldehyde with excellent enantiomeric excess (\>99\%) and high yields (overall yield 44\%) is described. (C) 2010 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.08.009}, author = {Panchgalle, Sharad P. and Bidwai, Harshad B. and Chavan, Subhash P. and Kalkote, Uttam R.} } @article { ISI:000283834100025, title = {Organocatalytic route to the synthesis of lactone moiety of compactin and mevinolin}, journal = {Tetrahedron Letters}, volume = {51}, number = {44}, year = {2010}, month = {NOV}, pages = {5838-5839}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient synthesis of lactone moiety of compactin has been achieved. The stereogenic centers were generated by means of iterative proline-catalyzed sequential alpha-aminoxylation and Horner-Wadsworth-Emmons (HWE) olefination of aldehydes. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Aminoxylation, Compactin, Lactone, organocatalysis, Proline}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.08.093}, author = {Kumar, Pradeep and Pandey, Menaka and Gupta, Priti and Dhavale, Dilip D.} } @article { ISI:000279787600008, title = {Origin of magnetic anomalies below the neel temperature in nanocrystalline LuMnO3}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {28}, year = {2010}, month = {JUL}, pages = {12104-12109}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Rare earth manganites crystallize in distorted orthorhombic perovskite or hexagonal structures and exhibit quite interesting optical and magnetic properties dictated by the size of the rare earth ion. Many of these materials might exhibit both ferroelectric and magnetic ordering as well as magnetoelectric coupling. However, their physical properties at reduced particle sizes remain underexplored due to the challenges associated with their synthesis with a proper control over the crystalline phase. Here, we report the wet-chemical synthesis of the hexagonal phase of nanocrystalline LuMnO3 with an average crystallite size of similar to 32 nm. The room-temperature Raman spectroscopy data are consistent with the calculated values of isomorphous hexagonal RMnO3 (R = rare earth atom) compounds with P6(3)cm symmetry. The UV-vis-NIR spectra recorded in the diffused reflectance mode at room temperature show electronic transitions at 1.7 eV (729 nm), 2.3 eV (539 nm), and 5 eV (258 nm). The magnetization measurements show that the Neel temperature for the LuMnO3 is situated at around 89 K, which is in close proximity to the reported value of the bulk phase. We also observed two unique and field-dependent magnetic anomalies that were predicted earlier but never reported experimentally. The first anomaly is observed as a sharp bifurcation in the ZFC-FC curves below 44 K at a 100 Oe applied field, which is accompanied with a sudden rise in the coercivity and magnetization. A second transition is observed at 12 K as a sharp peak in the ZFC curves, which is accompanied with a dip in coercivity. We attribute the transition at 44 K to the reorientation of the Mn3+ ions due to the Dzyaloshinskii-Moriya interaction, and the transition at 12 K is explained by weak antiferromagnetic coupling between Mn-O-Mn in the ab plane, which becomes dominant at lower temperatures.
}, issn = {1932-7447}, doi = {10.1021/jp103037r}, author = {Das, Raja and Jaiswal, Adhish and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000278611900017, title = {Orthogonally protected cyclohexanehexols by a {\textquoteleft}{\textquoteleft}one reaction - one product{\textquoteright}{\textquoteright} approach: efficient access to cyclitols and their analogs}, journal = {European Journal of Organic Chemistry}, number = {15}, year = {2010}, month = {MAY}, pages = {2945-2953}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Differentially protected myo-inositol derivatives were prepared from commercially available myo-inositol through regioselective O-alkylation reactions, which give a single product in each step. These derivatives were converted into six isomeric inositol derivatives carrying orthogonal hydroxy protecting groups. For all these reactions, conditions were chosen to prevent the formation of isomeric products, which obviates the need for separation of isomers and provides the required cyclitol derivative in very good yields. The synthetic potential of these derivatives was illustrated by the conversion of some of the orthogonally protected inositol derivatives into other cyclitol derivatives. Isomeric inositols were also prepared by the global deprotection of all the hydroxy groups.
}, keywords = {Alkylation, cyclitols, Inositol, Protecting groups, Regioselectivity}, issn = {1434-193X}, doi = {10.1002/ejoc.201000009}, author = {Jagdhane, Rajendra C. and Shashidhar, Mysore S.} } @article { ISI:000285797300007, title = {Oxidation of propane to acrylic acid and acetic acid over alkaline earth-doped Mo-V-Sb-O-x catalysts}, journal = {Journal of Natural Gas Chemistry}, volume = {19}, number = {6}, year = {2010}, month = {NOV}, pages = {593-599}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Alkaline earth metal (Mg, Ca, Sr and Ba)-doped Mo-V-Sb-O-x catalysts, prepared by a dry-up method, have been investigated for their catalytic performance in the oxidation of propane under different reaction conditions. The catalysts have been characterized by N-2 adsorption-desorption, temperature-programmed desorption (TPD) of NH3, SEM and XRD. Influence of water vapor on the catalytic performance, particularly on the selectivities to acetic acid and acrylic acid, has also been studied. The selectivity to acrylic acid was improved significantly by the doping of alkaline earth metals to Mo-V-Sb-O-x catalysts. The surface acidic sites of the catalyst decreased with the doping of the catalyst with alkaline earth metals, which ultimately was found to be beneficial for obtaining high selectivity to acrylic acid. The catalytic activity and product selectivities were found to be influenced by the reaction temperature, C3H8/O-2 ratio and space velocity. A significant improvement in the selectivity to acrylic acid has also been observed by the addition of water vapor in the feed of propane and oxygen in the oxidation of propane.
}, keywords = {Acetic acid, acrylic acid, alkaline earth doped Mo-V-Sb-O-x catalysts, oxidation of propane, Surface acidity}, issn = {1003-9953}, doi = {10.1016/S1003-9953(09)60122-5}, author = {Chaudhari, Chandan S. and Sable, Shailesh S. and Gurav, Hanumant and Kelkar, Ashutosh A. and Rane, Vilas H.} } @article { ISI:000274498300005, title = {Oxidative coupling of methane over La-promoted CaO catalysts: influence of precursors and catalyst preparation method}, journal = {Journal of Natural Gas Chemistry}, volume = {19}, number = {1}, year = {2010}, month = {JAN}, pages = {25-30}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The oxidative coupling of methane to C(2) hydrocarbons has been studied over a series of La-promoted CaO (La/Ca = 0.05) catalysts, prepared using different precursor salts for CaO and La(2)O(3) (viz. acetates, carbonates, nitrates and hydroxides) and catalyst preparation methods (viz. physical mixing of precursors, co-precipitation using ammonium carbonate/sodium carbonate as a precipitating agent), under different reaction conditions (temperature: 700-850 degrees C, CH(4)/O(2) ratio: 4.0 and 8.0, and GHSV: 51360 cm(3).g(-1).h(-1)). The surface area and surface basicity/base strength distribution of the catalysts have also been investigated. The surface properties and catalytic activity/selectivity of the La-promoted CaO catalysts vary from catalyst to catalyst depending on the catalyst precursors used and catalyst preparation method. The basicity/base strength distribution is strongly influenced by the precursors (for CaO and La(2)O(3)) and catalyst preparation method. Basicity (total and strong basic sites measured in terms of CO(2) chemisorbed at 50 degrees C and 500 degrees C, respectively) observed for the catalyst prepared by co-precipitation method is higher than that of the catalysts prepared by physical mixing method. The catalysts prepared by the nitrates of La- and Ca- and co-precipitated by the solution of sodium carbonate and ammonium carbonate exhibit different catalytic performance in OCM. The finding that no direct relationship between the surface basicity and catalytic activity/selectivity in OCM exists indicates that basicity is not solely responsible for obtaining high selectivity to C(2) hydrocarbons.
}, keywords = {basicity distribution, La-promoted CaO catalysts, oxidative coupling of methane}, issn = {1003-9953}, doi = {10.1016/S1003-9953(09)60023-2}, author = {Rane, Vilas H. and Chaudhari, Sopan T. and Choudhary, Vasant R.} } @article { ISI:000279864100030, title = {Pd-catalyzed one-pot chemoselective hydrogenation protocol for the preparation of carboxamides directly from azides}, journal = {Tetrahedron Letters}, volume = {51}, number = {29}, year = {2010}, month = {JUL}, pages = {3815-3819}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Carboxamides were obtained efficiently in high yields from azides on reaction with the corresponding pre-formed activated carboxylic acids in a single-step reductive transformation using hydrogen atmosphere (balloon) under Pd/BaSO(4) or Pd/CaCO(3) catalysis. The method is highly chemoselective and compatible with extremely labile functional groups such as benzyl carbamates, benzyl ethers, benzyl esters, and olefins. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Azide, Carboxamide, Catalytic hydrogenation, Chemoselective, Palladium, Succinimide ester}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.05.066}, author = {Bavikar, Sudhir N. and Salunke, Deepak B. and Hazra, Braja G. and Pore, Vandana S. and Thierry, Josiane and Dodd, Robert H.} } @article { ISI:000280359700010, title = {Pd-functionalized carbon nanotubes for selective hydrogenation of 2-butyne-1,4-diol}, journal = {Advanced Science Letters}, volume = {3}, number = {3}, year = {2010}, month = {SEP}, pages = {313-318}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Multiwalled carbon nanotubes were prepared by thermal decomposition method followed by acid treatment and Pd-functionalization with PdCl2 by wet impregnation method. The Pd functionlized carbon nanotubes catalyst was characterized by BET, FT-IR, Raman, XRD, EDX, ICP-OES, SEM and TEM and was evaluated for its activity for hydrogenation of 2-butyne-1,4-diol. It showed higher selectivity (93\%) to 2-butene-1,4-diol than Pd supported on commercial carbon (70\% selectivity to 2-butene-1,4-diol) for complete conversion of 2-butyne-1,4-diol. The catalyst also exhibited excellent stability as evidenced by the three catalyst recycle experiments.
}, issn = {1936-6612}, doi = {10.1166/asl.2010.1128}, author = {Nadgeri, Jayprakash M. and Garade, Ajit C. and Tambe, Romana A. and Gokhale, Suresh P. and Rode, Chandrashekhar V.} } @article { ISI:000274270100005, title = {Perturbations to Al-27 electric field gradients in nanocrystalline alpha-Al2O3 studied by high-resolution solid-state NMR}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {5}, year = {2010}, month = {FEB}, pages = {1775-1781}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Al-27 solid-state NMR has been employed to study the perturbations to Al-27 electric field gradients for the aluminum environments in nanocrystalline alpha-alumina. Triple quantum magic angle spinning experiments show that the octahedral aluminum coordination remains unchanged down to 12 nm, although severe perturbations to Al-27 electric field gradients are noticed at 28 nm and below. 3Q-MAS and SATRAS experimental data of nano alpha-alumina have been analyzed through extensive spectral simulations to probe Al-27 electric field gradients of aluminum in the grains and grain boundaries. While the aluminum in the grains has a unique field gradient tensor, the same octahedrally coordinated aluminum environments in the grain boundaries suffer a distribution of electric field gradients. This is evidenced by data analysis of both 3Q-MAS and SATRAS spectra. By invoking the Gaussian isotropic model, in which the (C-Q, eta(Q)) parameter space is discretely sampled by the Czjzek distribution, we have been able to analyze the Al-27 SATRAS spectra of nanocrystalline alpha-alumina samples having grain sizes of 52, 28, 20, and 12 nm. Good agreement between experimental and simulated spectra has led to the quantitative determination of grain and grain boundary components in these materials.
}, issn = {1520-6106}, doi = {10.1021/jp907469n}, author = {Sabarinathan, V. and Ramasamy, S. and Ganapathy, Subramanian} } @article { ISI:000275107700001, title = {Photodegradation of methanol under UV-visible irradiation by titania dispersed on polyester cloth}, journal = {Photochemistry and Photobiology}, volume = {86}, number = {2}, year = {2010}, month = {MAR}, pages = {241-246}, publisher = {WILEY-BLACKWELL PUBLISHING, INC}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Titania supported on polyester fabric (TiO(2)-PY) with varying titania loadings (2-7 wt\%) were prepared via the dip-coating method at room temperature using an aqueous slurry of anatase titania. Structural and morphological characterizations by X-ray diffraction and scanning electron microscopy revealed that the titanium dioxide crystallites deposited on the surface of the polyester fabric were in the micrometer range while their phase remained to be anatase. Photocatalytic activity of TiO(2)-PY fabric catalysts was evaluated for vapor-phase oxidation of methanol in air as a test reaction in the presence of UV as well as solar radiation under ambient conditions. These catalysts were found to be quite active in both UV and solar irradiation with activity being higher in the former case. CO(2) yield from photo-oxidation of methanol depended on titania content and also on its dispersion over polyester fabric support.
}, issn = {0031-8655}, doi = {10.1111/j.1751-1097.2009.00653.x}, author = {Bhattacharyya, Kaustava and Tripathi, Arvind K. and Gupta, Narendra M. and Tyagi, Avesh K.} } @article { ISI:000272180600002, title = {Phylogeographical studies in disjunct populations of symplocos laurina wall. using cytoplasmic PCR-RFLP approach}, journal = {Tree Genetics \& Genomes}, volume = {6}, number = {1}, year = {2010}, month = {DEC}, pages = {13-23}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
Genetic variation, haplotype relationships, and potential regions of diversity in Symplocos laurina Wall. (Symplocaceae), a montane tree species from India, have been tested using molecular and biogeographical data to infer phylogeographic patterns. The polymerase chain reaction-restriction fragment length polymorphism technique was used to determine the chloroplast (cp) and mitochondrial (mt) DNA haplotypes of 218 individuals from 12 populations, collected from Northeast India (NEI), which is a part of Indo-Burma biodiversity hotspot, and South India, which includes the Western Ghats (WG), another biodiversity hotspot from India and Eastern Ghats (EG). Nine cpDNA (chlorotypes) and 24 mtDNA haplotypes (mitotypes) were identified; the WG region was identified as the most diverse for chlorotypes and the NEI region for mitotypes. Although a strong population differentiation was observed, phylogeographic structure was found to be absent for both the genomes. The haplotype network revealed the presence of two main lineages: NEI-WG lineage and EG lineage, largely without overlapping distributions. The study tests two hypotheses, namely vicariance and dispersal, to understand the distribution of plants in India. The population structure of S. laurina strongly suggests the persistence of the species in putative refugial areas preglaciation and further establishment of other populations of S. laurina from these refugial populations.
}, keywords = {Cytoplasmic genome, Genetic diversity, Phylogeography}, issn = {1614-2942}, doi = {10.1007/s11295-009-0224-y}, author = {Banu, Sofia and Lagu, Meena D. and Gupta, Vidya S.} } @article { ISI:000274885600046, title = {Pivaloyl chloride/DMF: a new reagent for conversion of alcohols to chlorides}, journal = {Tetrahedron Letters}, volume = {51}, number = {4}, year = {2010}, month = {JAN}, pages = {744-746}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient procedure for conversion of alcohols into the corresponding chlorides is described. Pivaloyl chloride/DMF complex is employed as a mild and inexpensive reagent. A possible reaction mechanism is proposed. (C) 2009 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.11.131}, author = {Dubey, Abhishek and Upadhyay, Arun K. and Kumar, Pradeep} } @article { ISI:000277768000019, title = {Poly(amideimide)s containing pendant pentadecyl chains: synthesis and characterization}, journal = {Polymer Degradation and Stability}, volume = {95}, number = {5}, year = {2010}, month = {MAY}, pages = {837-844}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A new aromatic diacylhydrazide monomer viz., 4-[4{\textquoteright}-(hydrazinocarbonyl)phenoxy]-2- pentadecylbenzo-hydrazide was synthesized starting from cardanol, which in turn is obtainable from cashew nut shell liquid a renewable resource material. A series of new poly(amideimide)s containing flexibilizing ether linkages and pendant pentadecyl chains was synthesized from 4-[4{\textquoteright}-(hydrazinocarbonyl)phenoxy]-2-pentade-cylbenzohydrazide and commercially available aromatic dianhydrides, viz., benzene-1,2,4,5-tetracarboxylic dianhydride, 3,3{\textquoteright},4,4{\textquoteright}-biphenyltetracarboxylic dianhydride, benzophenone-3,3{\textquoteright},4,4{\textquoteright}-tetracarboxylic dianhydride, 4,4{\textquoteright}-oxydiphthalic anhydride and 4,4{\textquoteright}-(hexafluoro isopropylidene)diphthalic anhydride by a two-step solution polycondensation in N,N-dimethylacetamide via the poly(hydrazide acid) intermediate. Inherent viscosities of poly(amideimide)s were in the range 0.60-0.64 dL/g in N,N-dimethylacetamide at 30 +/- 0.1 degrees C. Poly(amideimide)s could be solution cast into tough, transparent and flexible films from their N,N-dimethylacetamide solutions. The solubility of poly(amideimide)s was significantly improved by incorporation of pendant pentadecyl chains and were found to be soluble in N,N-dimethylacetamide, 1-methyl-2-pyrrolidinone, pyridine and m-cresol at room temperature or upon heating. Wide angle X-ray diffraction patterns of poly(amideimide)s revealed a broad halo at around 2 theta = similar to 19 degrees suggesting that polymers were amorphous in nature. In the small-angle region, diffuse to sharp reflections of a typically layered structure resulting from the packing of pentadecyl side chains were observed. The temperature at 10\% weight loss (T(10)), determined by TGA in nitrogen atmosphere, of poly(amideimide)s was in the range of 388-410 degrees C indicating their good thermal stability. Glass transition temperatures of poly(amideimide)s were in the range 162-198 degrees C. It was observed that the plasticization effect of attached pentadecyl side chains induced the depression of T(g). (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Cardanol, Cashew nut shell liquid, Pentadecyl chains, Plasticization, Poly(amideimide)s, thermal stability}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2010.01.030}, author = {More, Arvind S. and Patil, Anandrao S. and Wadgaonkar, Prakash P.} } @article { ISI:000274348100003, title = {Polyarylate based thin film composite (TFC) membranes: effects of coating parameters, gutter layer, and intrinsic material properties}, journal = {Separation Science and Technology}, volume = {45}, number = {2}, year = {2010}, month = {JAN}, pages = {163-171}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Investigations in thin film composite (TFC) membrane formation with polyacrylonitrile ultrafiltration membrane as a support and three polyarylates with sequentially increased polarity are reported. Effects of TFC membrane preparation parameters viz., concentration of the coating solution, dip time, presence of solvent in pores of UF membrane support, and presence of the gutter layer were examined towards the formation of the selective skin layer, which was assessed by gas permeation analysis. TFC membranes prepared using dimethyl bisphenol-A based polyarylate exhibited similar to 3 orders of magnitude higher permeability and comparable selectivity as that of its dense membrane.
}, keywords = {Gas permeation, gutter layer, polarity, polyarylates, TFC membrane}, issn = {0149-6395}, doi = {10.1080/01496390903423089}, author = {Chendake, Yogesh J. and Bhole, Yogesh S. and Lohokare, Harshada R. and Kharul, Ulhas K.} } @article { ISI:000274752700031, title = {Polycarbonate/clay nanocomposites via in situ melt polycondensation}, journal = {Industrial \& Engineering Chemistry Research}, volume = {49}, number = {5}, year = {2010}, month = {MAR}, pages = {2217-2227}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Polycarbonate (PC)/clay nanocomposites were prepared via in situ melt polycondensation using novel organoclays modified using phosphonium and imidazolium based cations. The molecular weight of the separated polymer separated from the nanocomposites reveals that phosphonium ion modified organoclays catalyze the polycondensation of bisphenol A with diphenyl carbonate. Wide angle X-ray diffraction (WAXD) and transmission electron microscopy (TEM) indicated that exfoliated polycarbonate/clay nanocomposites could be obtained using organoclays which have reactive bisphenol functionality in the modifier. The glass transition temperature (T(g)) of the nanocomposites was studied using differential scanning calorimetry (DSC). The use of a more thermally stable modifier did not improve the color in polycarbonate clay nanocomposites. Although an approach to produce fully exfoliated PC nanocomposites are evident from this study, the process is far from perfect From the point of producing a color free transparent PC.
}, issn = {0888-5885}, doi = {10.1021/ie9015649}, author = {Rama, Mallikarjuna S. and Swaminathan, Sivaram} } @article { ISI:000283759400011, title = {Polyethersulfone-expanded graphite nanocomposites: charge transport and impedance characteristics}, journal = {Composites Science and Technology}, volume = {70}, number = {14}, year = {2010}, month = {NOV0}, pages = {2111-2116}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Polyethersulfone (PES)-expanded graphite nanocomposites have been prepared by solution blending route after sonicating expanded graphite in dichloromethane. It has been observed that ultrasonication results in nanosheets formation leading to a low percolation threshold of 3 wt.\%. At 5 wt.\% filler loading the conductivity is of the order of 10(-2) S/cm. Hopping type of charge transport occurs at 3.2 wt.\% expanded graphite in PES below which capacitive effects couple. The effective dielectric constant at low frequency increases with filler concentration. Impedance measurement has been carried out to evaluate interfacial capacitance which, for 3.2 wt.\% expanded graphite addition in PES, increases to 110 pF from 32 pF for 1 wt.\% expanded graphite in the polymer. DSC analysis shows an increment of 12 C in the T(g) of PES with 3 wt.\% expanded graphite suggesting interaction between the polymer and filler. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Differential scanning calorimetry (DSC), Electrical properties, Modeling, Polymers, Scanning/transmission electron microscopy (STEM)}, issn = {0266-3538}, doi = {10.1016/j.compscitech.2010.08.008}, author = {Ramanujam, B. T. S. and Mahale, Rajashree Y. and Radhakrishnan, S.} } @article { ISI:000274292700015, title = {Polymer-supported palladium-imidazole complex catalyst for hydrogenation of substituted benzylideneanilines}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {317}, number = {1-2}, year = {2010}, month = {FEB}, pages = {111-117}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The polymer-supported palladium-imidazole complex catalyst was synthesized and characterized by various techniques Such as elemental analysis, IR spectroscopy and TG analysis. The physico-chemical properties such as bulk density, Surface studies by BET method and swelling studies of catalyst in different solvents were investigated. XPS Studies were carried out to identify the oxidation state of palladium in the catalyst. The morphology of the support and the catalyst was studied using scanning electron microscope. Using the synthesized catalyst, hydrogenation of benzylideneaniline and a few of its para Substituted derivatives was carried out at ambient conditions. The influence of variation in temperature, concentration of the catalyst as well as the substrate on the rate of reaction Was Studied. The catalyst showed an excellent recycling efficiency over six cycles without leaching of metal from the polymer support. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Benzylideneaniline, Hydrogenation, kinetics, Polymer-supported palladium-imidazole complex catalyst}, issn = {1381-1169}, doi = {10.1016/j.molcata.2009.10.030}, author = {Udayakumar, V. and Alexander, S. and Gayathri, V. and Shivakumaraiah and Patil, K. R. and Viswanathan, B.} } @article { ISI:000288092200005, title = {Preparation and characterization of bioceramic nanocomposites based on hydroxyapatite (HA) and carboxymethyl cellulose (CMC)}, journal = {Macromolecular Research}, volume = {18}, number = {12}, year = {2010}, month = {DEC}, pages = {1160-1167}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
We report the synthesis of biomimetic nanocomposites based on carboxymethyl cellulose (CMC) and hydroxyapatite (HA) nanoparticles via a co-precipitation method. Physico-chemical characterization was performed before and after calcination by Fourier transform infrared (FTIR) spectroscopy, solid state (31)P nuclear magnetic resonance (NMR) spectroscopy, and thermogravimetric analysis (TGA). The formation of nanocomposites was observed by wide angle X-ray diffraction (WAXD), scanning electron microscopy (SEM) with energy dispersive X-ray analysis (EDX), and transmission electron microscopy (TEM). The spectral and crystallographic data indicated the formation of hydroxyapatite in the presence of CMC. They were observed as aggregates of HA nanoparticles and CMC, whose sizes were approximately similar to 260 +/- 40 nm. The crystallite size of the hydroxyapatite particles decreased (with 2 wt\% 18 +/- 3 nm) with increasing CMC content. The morphological aspects of the calcined samples revealed the sintering ability of HA nanoparticles. Nanocomposites of hydroxyapatite nanoparticles that mimic the process of nucleation and growth in nature can be prepared using biomacromolecules such as CMC.
}, keywords = {biopolymer, cellulose, hydroxyapatite, Nanoparticles, Particle size, X-ray diffraction}, issn = {1598-5032}, doi = {10.1007/s13233-010-1208-3}, author = {Kumar, Annamalai Pratheep and Mohaideen, Kamal Khaja and Alariqi, Sameh A. S. and Singh, Raj Pal} } @article { ISI:000279139400020, title = {Preparation and characterization of CuInSe2 thin films by chemical bath deposition technique}, journal = {Journal of Alloys and Compounds}, volume = {500}, number = {1}, year = {2010}, month = {JUN}, pages = {78-81}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Copper indium diselenide (CIS) thin films have been deposited using a precursor solution containing copper sulphate, indium trichoride, hydrazine hydrate and sodium selenosulphate in an aqueous alkaline medium at room temperature. The as grown brown colored films were found to be well adherent to glass substrates. The films were characterized by X-ray diffraction, scanning electron microscopy, atomic absorption spectroscopy, optical absorption, electrical resistivity, and thermo electric measurement techniques. The analysis of optical absorption data shows band-gap energy (E-g) to be 1.1 eV. The electrical resistivity of the thin film was found to be of the order of 10(2) (Omega cm). Thermoelectric power measurement shows n-type conduction. (C) 2010 Published by Elsevier B.V.
}, keywords = {CuInSe2, Optical properties, Thin films, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2010.03.215}, author = {Hankare, P. P. and Rathod, K. C. and Chate, P. A. and Jadhav, A. V. and Mulla, Imtiaz S.} } @article { ISI:000274069000060, title = {Preparation and characterization of novel hybrid of bio-assisted mineralized Zn-Al layered double hydroxides using chitosan as a template}, journal = {Journal of Applied Polymer Science}, volume = {115}, number = {6}, year = {2010}, month = {MAR}, pages = {3636-3644}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
The purpose of this study was to prepare and characterize a novel nanohybrid prepared from the template-assisted mineralization of Zn-Al Layered Double Hydroxide (LDH) onto the surface of Chitosan (CSI), with an emphasis on morphology, biocompatibitity, and its use as an efficient drug carrier agent. The as prepared LDH is highly crystalline, with platelet-like morphology and curved tactoids when nucleated onto the surface of CSI. Our results indicate that the -OH and -NH functional moieties on CSI can direct an ordered structure of LDH, due to the electrostatic interaction between biopolymer and inorganic lamellae. We have been successful to intercalate an anti-inflammatory drug, Sodium Ibuprofen (Ibu), into LDH, through conventional coprecipitation method. LDHs are endowed with great potential for delivery vector because their stacked layers lead to safe reservation of biofunctional molecules or genes, and their ion exchangeability and solubility in acidic media (pH \< 4) give rise to the controlled release of drug molecules. According to the cell-growth studies, LDHs are found as cell viable up to the concentration of 500 mu g/mL. This study reveals that LDH not only plays a role of a biocompatible-delivery matrix but also facilitates a significant increase in the delivery efficiency. (C) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 115:3636-3644,2010
}, keywords = {bio-assisted mineralization, cell-growth studies, Chitosan, drug delivery systems, layered double hydroxides}, issn = {0021-8995}, doi = {10.1002/app.31463}, author = {Depan, Dilip and Singh, Raj Pal} } @article { ISI:000283531100049, title = {Probing binding preferences of DNA and RNA: backbone chirality of thioacetamido-linked nucleic acids and iso-thioacetamido-linked nucleic acids to differentiate DNA versus RNA selective binding}, journal = {Journal of Organic Chemistry}, volume = {75}, number = {21}, year = {2010}, month = {NOV}, pages = {7431-7434}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Subtle differences in RNA and DNA duplex geometry could be sensed by the changed stereochemistry at 3 {\textquoteleft}-amino function in the 5-atom thioacetamido linker of thioacetamido-linked nucleic acids and iso-thioacetamido-linked nucleic acids modified oligomers. In contrast to the preferred N-type sugar conformations for either 3 {\textquoteleft}- ribo- or xylo amino nucleosides, predominant S-type sugar conformations were found in the dimers. Although the CD spectral differences for the dimer blocks were found to be identical for those found in phosphodiester linked ribo/xylo dimers, the 5-atom thioactamido linker could reverse the RNA binding selectivity to DNA binding selectivity by the change in configuration at the 3 {\textquoteleft}-amino-substituted sugar.
}, issn = {0022-3263}, doi = {10.1021/jo1014036}, author = {Gokhale, Sachin S. and Gogoi, Khirud and Kumar, Vaijayanti A.} } @article { ISI:000281321000006, title = {Probing lewis acidity and reactivity of Sn- and Ti-beta zeolite using industrially important moieties: a periodic density functional study}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {329}, number = {1-2}, year = {2010}, month = {AUG}, pages = {36-43}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The Lewis acidic nature and reactivity of two industrially important catalysts, viz.. Sn and Ti substituted beta zeolite (T-BEA) are analyzed using a unique combination of structural parameters, energetics and reactivity descriptors. To achieve this purpose, we adsorb the industrially important moieties (L) namely NH(3), H(2)O, CH(3)OH, CH(3)CN on the active sites of T-BEA. The calculations were performed using a periodic density functional method where the valence electrons are described using a plane wave basis set in conjunction with pseudo-potentials for the core electrons. The analysis of the structural properties of these complexes reveals that TO(4) shows typical characteristic splitting 120 degrees/90 degrees, close to bipyramidal geometry as compared to tetrahedral symmetry observed in the bare T-BEA. This is associated with small variations in the framework bond lengths (\>= 0.08 angstrom) and a substantially large variation of bond angles (\<= 10 degrees) in all the ligand-zeolite complexes. Further in both cases of Sn and Ti substituted beta zeolite, ligand interacts at optimum inter-atomic bond distance. Our interaction energies show that adsorption of all ligand moieties is stronger at Sn center than that of Ti. In general, the order of stability of the different T-BEA adducts is NH(3) \> H(2)O \> CH(3)OH \> CH(3)CN. The ligand interaction is associated with the corresponding bond elongation and bond reduction of the adsorbed molecules on catalyst active site, which can be taken as measure of red or blue shifted frequencies. Finally, the global descriptors of reactivity justify the fact that soft acid, Sn-BEA, interacts strongly with soft bases following the Pearson{\textquoteright}s HSAB principle. However, hard acid, Ti-BEA interacts with soft bases to form a stable Lewis adduct. Furthermore, the HOMO-LUMO gap of all Sn-BEA-L adducts is lower than that of Ti-BEA-L adducts indicating to its higher Lewis acidic nature compared to Ti-BEA. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Beta zeolite, Lewis acidity, Ligand-zeolite complex, Periodic-DFT, Reactivity descriptors}, issn = {1381-1169}, doi = {10.1016/j.molcata.2010.06.014}, author = {Kulkarni, Bhakti S. and Krishnamurty, Sailaja and Pal, Sourav} } @article {42795, title = {Process for synthesis of beaded cross linked polymers, water-in-oil-in-water emulsions and post functionalisation}, number = {2538/DEL}, year = {2010}, month = {JAN}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Tayal, Rajivkumar and Qureshi, Moham} } @article { ISI:000282201200049, title = {Production and characterization of a biodegradable poly (hydroxybutyrate-co-hydroxyvalerate) (PHB-co-PHV) copolymer by moderately haloalkalitolerant Halomonas campisalis MCM B-1027 isolated from Lonar Lake, India}, journal = {Bioresource Technology}, volume = {101}, number = {24}, year = {2010}, month = {DEC}, pages = {9765-9771}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Several microorganisms produce polyhydroxyalkanoates (PHA). They are accumulated intracellularly as energy storage compounds. The PHAs are of interest because of their potential in biomedical applications. Halophilic bacteria and archaea are known to produce polyhydroxybutyrate (PHB). This paper describes production of a biodegradable copolymer, PHB-co-PHV by a moderately haloalkalitolerant Halomonas campisalis, isolated from Lonar Lake, India. The production of PHA was in the range of 45-81\% on dry cell weight basis when the organism was grown in a production medium containing 1\% (w/v) maltose and 0.1\% (w/v) yeast extract, at pH ranging from 6 to 9 with an inoculum density of 10(5)-10(7) cells/ml of medium, for incubation period of 15-30 h and at 37 degrees C. The polymer produced by the organism is a hydroxyester with molecular weight of 1.3014 x 10(6). Its melting temperature was 171 degrees C. The (1)H NMR analysis revealed that the polymer was a copolymer of PHB-co-PHV. This could be achieved by providing simple carbon source viz. maltose. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Biodegradable plastics, Halomonas campisalis, Polyhydroxyalkanoates}, issn = {0960-8524}, doi = {10.1016/j.biortech.2010.07.089}, author = {Kulkarni, S. O. and Kanekar, Pradnya P. and Nilegaonkar, S. S. and Sarnaik, S. S. and Jog, Jyoti Prakash} } @article { ISI:000282444000036, title = {Production of single cell protein, essential amino acids, and xylanase by penicillium janthinellum}, journal = {Bioresources}, volume = {5}, number = {4}, year = {2010}, month = {OCT}, pages = {2470-2477}, publisher = {NORTH CAROLINA STATE UNIV DEPT WOOD \& PAPER SCI}, address = {CAMPUS BOX 8005, RALEIGH, NC 27695-8005 USA}, abstract = {
Microbial biomass having 46\% crude protein content and enriched with essential amino acids as well as extracellular xylanase activity (100-150 IU/ml) was produced by an efficient fungal strain, Penicillium janthinellum (NCIM St-F-3b). Optimization studies for maximum xylanase and biomass production showed that the fungus required a simple medium containing bagasse hemicellulose as carbon source and ammonium sulphate as the nitrogen source. Therefore bagasse, which is a waste product of the sugar industry, can be efficiently used in microbioal biomass protein preparation for animal feed.
}, keywords = {Bagasse hydrolysate, Crude protein, Microbial biomass production, Penicillium janthinellum, Xylanase}, issn = {1930-2126}, author = {Rao, Mala and Varma, Anjanikumar and Deshmukh, Sumedha S.} } @article { ISI:000285951200017, title = {Proline catalyzed direct diastereoselective 6-enolexo aldolization: toward the synthesis of the imino sugar DNJ}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {21-22}, year = {2010}, month = {NOV}, pages = {2703-2708}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A L-proline catalyzed direct diastereoselective 6-enolexo aldolization reaction of differentiating dialdehydes derived from tartaric acid is presented This organocatalytic approach provides high levels of synselectivity (dr \> 10 1) with the stereocontrolled C-C bond formation between C4 and C5 intramolecularly which can serve to synthesize Imino-sugar skeleton quickly (C) 2010 Elsevier Ltd All rights reserved
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.10.024}, author = {Kumar, Indresh and Rode, Chandrashekhar V.} } @article { ISI:000281382400015, title = {Protoplast formation and regeneration in lactobacillus delbrueckii}, journal = {Indian Journal of Microbiology}, volume = {50}, number = {1}, year = {2010}, month = {MAR}, pages = {97-100}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Method for production and regeneration of Lactobacillus delbrueckii protoplasts are described. The protoplasts were obtained by treatment with a mixture of lysozyme and mutanolysin in protoplast buffer at pH 6.5 with different osmotic stabilizers. The protoplasts were regenerated on deMan, Rogosa and Sharpe (MRS) with various osmotic stabilizers. Maximum protoplast formation was obtained in protoplast buffer with sucrose as an osmotic stabilizer using a combination of lysozyme (1 mg/ml) and mutanolysin (10 mu g/ml). Maximum protoplast regeneration was obtained on MRS medium with sucrose (0.5 M) as an osmotic stabilizer. The regeneration medium was also applicable to other species of lactobacilli as well. This is, to our knowledge, the first report on protoplast formation and efficient regeneration in case of L. delbrueckii.
}, keywords = {Lactobacillus delbrueckii, Protoplast formation, Protoplast regeneration}, issn = {0046-8991}, doi = {10.1007/s12088-010-0008-y}, author = {Singhvi, Mamta and Joshi, Dipti and Gaikaiwari, Shalaka A. and Gokhale, Digambar V.} } @article { ISI:000275985700041, title = {Pt-MoOx-carbon nanotube redox couple based electrocatalyst as a potential partner with polybenzimidazole membrane for high temperature polymer electrolyte membrane fuel cell applications}, journal = {Electrochimica Acta}, volume = {55}, number = {8}, year = {2010}, month = {MAR}, pages = {2878-2887}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A redox couple based electrocatalyst comprising of Pt-Multi Wall Carbon NanoTube (Pt-MWCNT) promoted with molybdenum oxide (MoOx, 2 \< x \< 3) nanoparticles was prepared. The objective was to effectively organize the Pt-MoOx interface on the smooth MWCNT surface to overcome the practical difficulties associated with establishing such interface with Pt dispersed on carbon morphologies possessing surface irregularities. The present study revealed the importance of stringent controlling of the additive level for maintaining a balanced bifunctional behavior of the catalyst combination through the synergistic effects by the components and the need of a proton conducting membrane operable at high temperature to get better output from the Polymer Electrolyte Membrane Fuel Cell (PEMFC) systems. An indigenously developed polybenzimidazole (PBI) membrane was used to fabricate a membrane electrode assembly (MEA) as it can be operated at higher temperatures compared to that of Nafion membranes. MoOx additive level was carefully controlled by monitoring the active Pt area by cyclic voltammetry. All prepared electrocatalysts were characterized by using HRTEM, XRD and XPS to get information on dispersion and morphology, crystalinity and oxidation state of different elements, respectively. The system prepared with 5\% MoOx addition with respect to Pt (hereafter Pt-MoOx(5\%)-MWCNT) displayed balanced active Pt area and excellent oxygen reduction reaction (ORR) and methanol oxidation reaction (MOR) activities. Rotating Disk Electrode (ROE) system was extensively utilized to understand the ORR kinetics and the favorable role of MoOx as the promoter in the reaction. The kinetic current (j(k)) measured at 0.02 V vs. Hg/Hg2SO4 electrode from the Koutecky-Levich plots was 9 times higher and the apparent activation energy during single cell evaluation was 27 kJ/mol lower for the MoOx promoted system, compared to the system without the additive. A higher operating temperature significantly favored the cell performance by a combined effect of enhancement in proton conductivity of the PBI membrane and possible kinetic benefit by the well postulated oxygen spill over effect by the MoOx type systems in some combinations involving such systems. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Methanol oxidation reaction, MWCNT, oxygen reduction reaction, PBI membrane, PEMFC}, issn = {0013-4686}, doi = {10.1016/j.electacta.2010.01.012}, author = {Vellacheri, Ranjith and Unni, SreeKuttan M. and Nahire, Sandip and Kharul, Ulhas K. and Kurungot, Sreekumar} } @article { ISI:000282507400010, title = {Purification and characterization of two distinct acidic phytases with broad pH stability from aspergillus niger NCIM 563}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {26}, number = {11}, year = {2010}, month = {NOV}, pages = {2009-2018}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Aspergillus niger NCIM 563 produced two different extracellular phytases (Phy I and Phy II) under submerged fermentation conditions at 30A degrees C in medium containing dextrin-glucose-sodium nitrate-salts. Both the enzymes were purified to homogeneity using Rotavapor concentration, Phenyl-Sepharose column chromatography and Sephacryl S-200 gel filtration. The molecular mass of Phy I and II as determined by SDS-PAGE and gel filtration were 66, 264, 150 and 148 kDa respectively, indicating that Phy I consists of four identical subunits and Phy II is a monomer. The pI values of Phy I and II were 3.55 and 3.91, respectively. Phy I was highly acidic with optimum pH of 2.5 and was stable over a broad pH range (1.5-9.0) while Phy II showed a pH optimum of 5.0 with stability in the range of pH 3.5-9.0. Phy I exhibited very broad substrate specificity while Phy II was more specific for sodium phytate. Similarly Phy II was strongly inhibited by Ag(+), Hg(2+) (1 mM) metal ions and Phy I was partially inhibited. Peptide analysis by Mass Spectrometry (MS) MALDI-TOF also indicated that both the proteins were totally different. The K (m) for Phy I and II for sodium phytate was 2.01 and 0.145 mM while V (max) was 5,018 and 1,671 mu mol min(-1) mg(-1), respectively. The N-terminal amino acid sequences of Phy I and Phy II were FSYGAAIPQQ and GVDERFPYTG, respectively. Phy II showed no homology with Phy I and any other known phytases from the literature suggesting its unique nature. This, according to us, is the first report of two distinct novel phytases from Aspergillus niger.
}, keywords = {Aspergillus niger, Phytase, Phytate, Poultry feed, Purification}, issn = {0959-3993}, doi = {10.1007/s11274-010-0385-8}, author = {Soni, S. K. and Magdum, A. and Khire, Jayant Malhar} } @article { ISI:000286161600003, title = {QTL mapping of 1000-kernel weight, kernel length, and kernel width in bread wheat (Triticum aestivum L.)}, journal = {Journal of Applied Genetics}, volume = {51}, number = {4}, year = {2010}, month = {DEC}, pages = {421-429}, publisher = {POLISH ACAD SCIENCES, INST PLANT GENETICS}, address = {STRZESZYNSKA 34, POZNAN, 60-479, POLAND}, abstract = {
Kernel size and morphology influence the market value and milling yield of bread wheat (Triticum aestivum L.). The objective of this study was to identify quantitative trait loci (QTLs) controlling kernel traits in hexaploid wheat. We recorded 1000-kernel weight, kernel length, and kernel width for 185 recombinant inbred lines from the cross Rye Selection 111 x Chinese Spring grown in 2 agro-climatic regions in India for many years. Composite interval mapping (CIM) was employed for QTL detection using a linkage map with 169 simple sequence repeat (SSR) markers. For 1000-kernel weight, 10 QTLs were identified on wheat chromosomes 1A, 1D, 2B, 2D, 4B, 5B, and 6B, whereas 6 QTLs for kernel length were detected on 1A, 2B, 2D, 5A, 5B and 5D. Chromosomes 1D, 2B, 2D, 4B, 53 and 5D had 9 QTLs for kernel width. Chromosomal regions with QTLs detected consistently for multiple year-location combinations were identified for each trait. Pleiotropic QTLs were found on chromosomes 2B, 2D, 4B, and 5B. The identified genomic regions controlling wheat kernel size and shape can be targeted during further studies for their genetic dissection.
}, keywords = {composite interval mapping, kernel shape, kernel size, quantitative trait loci, Stable QTLs, Triticum aestivum}, issn = {1234-1983}, doi = {10.1007/BF03208872}, author = {Ramya, P. and Chaubal, A. and Kulkarni, K. and Gupta, L. and Kadoo, Narendra Y. and Dhaliwal, Harcharan Singh and Chhuneja, Parveen and Lagu, Meena D. and Gupta, V.} } @article { ISI:000277643500009, title = {QTL mapping of multiple foliar disease and root-lesion nematode resistances in wheat}, journal = {Molecular Breeding}, volume = {26}, number = {1}, year = {2010}, month = {JUN}, pages = {107-124}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A genetic linkage map, based on a cross between the synthetic hexaploid CPI133872 and the bread wheat cultivar Janz, was established using 111 F(1)-derived doubled haploid lines. The population was phenotyped in multiple years and/or locations for seven disease resistance traits, namely, Septoria tritici blotch (Mycosphaeralla graminicola), yellow leaf spot also known as tan spot (Pyrenophora tritici-repentis), stripe rust (Puccinia striiformis f. sp. tritici), leaf rust (Puccinia triticina), stem rust (Puccinia graminis f. sp. tritici) and two species of root-lesion nematode (Pratylenchyus thornei and P. neglectus). The DH population was also scored for coleoptile colour and the presence of the seedling leaf rust resistance gene Lr24. Implementation of a multiple-QTL model identified a tightly linked cluster of foliar disease resistance QTL in chromosome 3DL. Major QTL each for resistance to Septoria tritici blotch and yellow leaf spot were contributed by the synthetic hexaploid parent CPI133872 and linked in repulsion with the coincident Lr24/Sr24 locus carried by parent Janz. This is the first report of linked QTL for Septoria tritici blotch and yellow leaf spot contributed by the same parent. Additional QTL for yellow leaf spot were detected in 5AS and 5BL. Consistent QTL for stripe rust resistance were identified in chromosomes 1BL, 4BL and 7DS, with the QTL in 7DS corresponding to the Yr18/Lr34 region. Three major QTL for P. thornei resistance (2BS, 6DS, 6DL) and two for P. neglectus resistance (2BS, 6DS) were detected. The recombinants combining resistance to Septoria tritici blotch, yellow leaf spot, rust diseases and root-lesion nematodes from parents CPI133872 and Janz constitute valuable germplasm for the transfer of multiple disease resistance into new wheat cultivars.
}, keywords = {Pratylenchyus spp, Pyrenophora tritici-repentis, Rust diseases, Septoria tritici blotch, Synthetic hexaploid wheat, Triticum aestivum}, issn = {1380-3743}, doi = {10.1007/s11032-009-9381-9}, author = {Rebecca S. Zwart and Thompson, J. P. and Milgate, A. W. and Bansal, Urmil K. and Williamson, P. M. and Raman, H. and Bariana, Harbans S.} } @article { ISI:000284238000028, title = {Rapid generation of hierarchical nanoarchitectures of CdS via facile microwave assisted hydrothermal/semi-solvothermal route}, journal = {International Journal of Nanotechnology}, volume = {7}, number = {9-12, SI}, year = {2010}, month = {DEC}, pages = {1120-1130}, publisher = {INDERSCIENCE ENTERPRISES LTD}, address = {WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 896, CH-1215 GENEVA, SWITZERLAND}, abstract = {
1-D nanorod bundles as well as sea urchin and starfish like hierarchical morphological nanoarchitectures of CdS have been synthesised using a facile microwave assisted hydrothermal/semi-solvothermal technique. Observation of interesting regular/irregular pine-tree like secondary growth over these hierarchical nanoarchitectures is an important aspect of this work. Cadmium acetate and thiourea were used as precursor materials and were dissolved in solution containing mixture of diethylene triamine (DETA) and deionised water (DIW) in different volume ratios prior to subjecting the resultant solution to microwave radiation of 300 W at a reaction time of 10 min and temperature of 140 degrees C. XRD revealed formation of hexagonal CdS with strong (002) preferred orientation (c-axis orientation). Morphology dependent optical properties are studied using room temperature photoluminescence spectroscopy. We feel such secondary growth will be highly favourable in determining the non-linear properties of optoelectronic devices fabricated using such novel hierarchical nanoarchitectures.
}, keywords = {CdS, hierarchical nanoarchitectures, Microwave, Nanorods, secondary growth, solvothermal synthesis}, issn = {1475-7435}, author = {Shinde, Manish D. and Pawar, Amol U. and Sreeja, V. and Rane, Sunit and Potdar, Hari S. and Amalnerkar, Dinesh P.} } @article { ISI:000274490400085, title = {Reductive dechlorination of gamma-hexachlorocyclohexane using Fe-Pd bimetallic nanoparticles}, journal = {Journal of Hazardous Materials}, volume = {175}, number = {1-3}, year = {2010}, month = {MAR}, pages = {680-687}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nanoscale Fe-Pd bimetallic particles were synthesized and used for degradation of lindane (gamma-hexachlorocyclohexane) in aqueous solution. Batch studies showed that 5 mg/Lof lindane was completely dechlorinated within 5 min at a catalyst loading of 0.5 g/L and the degradation process followed first-order kinetics. GC-MS analysis in corroboration with GC-ECD results showed the presence of cyclohexane as the final degradation product. The proposed mechanism for the reductive dechlorination of lindane involves Fe corrosion-induced hydrogen atom transfer from the Pd Surface. The enhanced degradation efficiency of Fe-Pd nanoparticles is attributed to: (1) high specific surface area of the nanoscale metal particles (60 m(2)/g), manyfold greater that of commercial grade micro- or milli-scale iron particles (similar to 1.6 m(2)/g); and, (2) increased catalytic reactivity due to the presence of I{\textquoteright}d on the Surface. Recycling and column studies showed that these nanoparticles exhibit efficient and sustained catalytic activity. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Bimetallic, Cyclohexane, Degradation, kinetics, Lindane, Nanoparticles}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2009.10.063}, author = {Nagpal, Varima and Bokare, Alok D. and Chikate, Rajeev C. and Rode, Chandrashekhar V. and Paknikar, Kishore M.} } @article { ISI:000284533700013, title = {Regiospecific azidoiodination of alkenes with sodium periodate, potassium iodide, and sodium azide: a high-yield synthesis of beta-iodoazides}, journal = {Synthesis-Stuttgart}, number = {22}, year = {2010}, month = {NOV}, pages = {3879-3882}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
The combination of sodium periodate, potassium iodide, and sodium azide has been found to be an efficient, simple, and inexpensive reagent system for azidoiodination of alkenes. The regiospecific 1,2-azidoiodination proceeds in an anti-Markovnikov fashion to produce beta-iodoazides in excellent yields.
}, keywords = {alkenes, azides, azidoiodination, beta-iodoazides, regio-specific}, issn = {0039-7881}, doi = {10.1055/s-0030-1258250}, author = {Chouthaiwale, Pandurang V. and Karabal, Pratibha U. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000278832400011, title = {Regiospecific oxyhalogenation of aromatics over SBA-15-supported nanoparticle group IV-VI metal oxides}, journal = {Catalysis Letters}, volume = {137}, number = {3-4}, year = {2010}, month = {JUL}, pages = {190-201}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
TiO(x), VO(x), MoO(x) and WO(x) supported on SBA-15 exhibit efficient catalytic activity for oxyhalogenation of aromatics with the H(2)O(2)-halide ion system. Unlike the hitherto known solid catalysts, these reusable catalysts yield the para-halogenated product with 100\% selectivity at 298 K and moderate acidic pH (3-5). The catalytic activity was enhanced by five orders of magnitude when supported on SBA-15.
}, keywords = {Haloperoxidase activity, Ordered mesoporous silica, Oxyhalogenation of aromatics, SBA-15, Supported metal oxides}, issn = {1011-372X}, doi = {10.1007/s10562-010-0350-z}, author = {Saikia, Lakshi and Rajesh, M. and Srinivas, Darbha and Ratnasamy, P.} } @article { ISI:000279085200015, title = {Regularly alternating poly(amideimide)s containing pendent pentadecyl chains: synthesis and characterization}, journal = {European Polymer Journal}, volume = {46}, number = {6}, year = {2010}, month = {JUN}, pages = {1307-1315}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Two new aromatic diamines containing preformed amide linkages, viz., N,N{\textquoteright}-(4-pentadecyl-1,3-phenylene)bis(4-aminobenzamide) I and N,N{\textquoteright}-(4-pentadecyl-1,3-phenylene)bis(3-aminobenzamide) II, were synthesized by reaction of 4-pentadecylbenzene-1,3-diamine with 4-nitrobenzoylchloride and 3-nitrobenzoylchloride, followed by reduction of the respective dinitro derivatives. A series of new poly(amideimide)s was synthesized by poly-condensation of I and II with four commercially available aromatic dianhydrides, viz., pyromellitic dianhydride (PMDA), 4,4{\textquoteright}-biphenyltetracarboxylic dianhydride (BPDA), 4,4{\textquoteright}-oxydiphthalic anhydride (ODPA), and 4,4{\textquoteright}-(hexafluoroisopropylidene)diphthalic anhydride (6-FDA) in N,N-dimethylacetamide (DMAc) employing conventional two step method via poly(amic acid) intermediate followed by thermal imidization. Reference poly(amideimide)s were synthesized by polycondensation of N,N{\textquoteright}-(1,3-phenylene)bis(4-aminobenzamide) and N,N{\textquoteright}-(1,3-phenylene)bis(3-aminobenzamide) with the same aromatic dianhydrides. Inherent viscosities of poly(amideimide)s containing pendent pentadecyl chains were in the range 0.37-1.23 dL/g in N,N-dimethylacetamide at 30 +/- 0.1 degrees C indicating the formation of medium to high molecular weight polymers. The poly(amideimide)s containing pendent pentadecyl chains were found to be soluble in N,N-dimethylacetamide, N,N-dimethylformamide, 1-methyl-2-pyrrolidinone and pyridine and could be cast into transparent, flexible and tough films from their N,N-dimethylacetamide solution. Wide angle X-ray diffraction patterns exhibited broad halo indicating that the polymers were essentially amorphous in nature. X-ray diffractograms also displayed sharp reflection in the small angle region (20 approximate to 3 degrees) for poly(amideimide)s containing pentadecyl chains indicating the formation of layered structure arising from packing of flexible pentadecyl chains. The glass transition temperatures observed for reference poly(amideimide)s were in the range 331-275 degrees C and those for poly(amideimide)s containing pendent pentadecyl chains were in the range 185-286 degrees C indicating a large drop in T(g), owing to the {\textquoteleft}{\textquoteleft}internal plasticization{\textquoteright}{\textquoteright} effect of pentadecyl chains. The temperature at 10\% weight loss (T(10)), determined by TGA in nitrogen atmosphere, were in the range 460-480 degrees C indicating their good thermal stability. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Glass transition temperature, Pendent pentadecyl chain, Poly(amideimide)s, Preformed amide linkage, thermal stability}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2010.03.007}, author = {Sadavarte, Nilakshi V. and Avadhani, C. V. and Naik, Parimal V. and Wadgaonkar, Prakash P.} } @article { ISI:000277343900009, title = {Relatedness of Indian flax genotypes (Linum usitatissimum L.): an inter-simple sequence repeat (ISSR) primer assay}, journal = {Molecular Biotechnology}, volume = {45}, number = {2}, year = {2010}, month = {JUN}, pages = {161-170}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
The objective of this study was to analyze the genetic relationships, using PCR-based ISSR markers, among 70 Indian flax (Linum usitatissimum L.) genotypes actively utilized in flax breeding programs. Twelve ISSR primers were used for the analysis yielding 136 loci, of which 87 were polymorphic. The average number of amplified loci and the average number of polymorphic loci per primer were 11.3 and 7.25, respectively, while the percent loci polymorphism ranged from 11.1 to 81.8 with an average of 63.9 across all the genotypes. The range of polymorphism information content scores was 0.03-0.49, with an average of 0.18. A dendrogram was generated based on the similarity matrix by the Unweighted Pair Group Method with Arithmetic Mean (UPGMA), wherein the flax genotypes were grouped in five clusters. The Jaccard{\textquoteright}s similarity coefficient among the genotypes ranged from 0.60 to 0.97. When the omega-3 alpha linolenic acid (ALA) contents of the individual genotypes were correlated with the clusters in the dendrogram, the high ALA containing genotypes were grouped in two clusters. This study identified SLS 50, Ayogi, and Sheetal to be the most diverse genotypes and suggested their use in breeding programs and for developing mapping populations.
}, keywords = {ALA, Alpha linolenic acid, Diversity assessment, Linseed, Oil content, Omega-3 fatty acid}, issn = {1073-6085}, doi = {10.1007/s12033-010-9256-7}, author = {Rajwade, Ashwini V. and Arora, Ritu S. and Kadoo, Narendra Y. and Harsulkar, Abhay M. and Ghorpade, Prakash B. and Gupta, Vidya S.} } @article { ISI:000278725100023, title = {Renewable H-2 from glycerol steam reforming: effect of La2O3 and CeO2 addition to Pt/Al2O3 catalysts.}, journal = {Chemsuschem}, volume = {3}, number = {5}, year = {2010}, month = {MAY}, pages = {619-628}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Glycerol is the main byproduct of biodiesel production and its increased production volume derives from the increasing demand for biofuels. The conversion of glycerol to hydrogen-rich mixtures presents an attractive route towards sustainable biodiesel production. Here we explored the use of Pt/Al2O3-based catalysts for the catalytic steam reforming of glycerol, evidencing the influence of La2O3 and CeO2 doping on the catalyst activity and selectivity. The addition of the latter metal oxides to a Pt/Al2O3 catalyst is found to significantly improve the glycerol steam reforming, with high H-2 and CO2 selectivities. A good catalytic stability is achieved for the Pt/La2O3/Al2O3 system working at 350 degrees C, while the Pt/CeO2/Al2O3 catalyst sharply deactivates after 20 h under similar conditions. Studies carried out on fresh and exhausted catalysts reveal that both systems maintain high surface areas and high Pt dispersions. Therefore, the observed catalyst deactivation can be attributed to coke deposition on the active sites throughout the catalytic process and only marginally to Pt nanoparticle sintering. This work suggests that an appropriate support composition is mandatory for preparing high-performance Pt-based catalysts for the sustainable conversion of glycerol into syngas.
}, keywords = {biofuels, Glycerol, heterogeneous catalysis, platinum, supported catalysts}, issn = {1864-5631}, doi = {10.1002/cssc.200900243}, author = {Montini, Tiziano and Singh, Rakesh and Das, Piyali and Lorenzut, Barbara and Bertero, Nicolas and Riello, Pietro and Benedetti, Alvise and Giambastiani, Giuliano and Bianchini, Claudio and Zinoviev, Sergey and Miertus, Stanislav and Fornasiero, Paolo} } @article { ISI:000281296900029, title = {Reversal from endothermic to exothermic behavior of imidazolium-based ionic liquids in molecular solvents}, journal = {Chemical Physics Letters}, volume = {496}, number = {1-3}, year = {2010}, month = {AUG}, pages = {143-147}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In this communication, we present an interesting reversal in the enthalpic behavior from endothermic to exothermic on increasing the carbon chain length attached to the imidazolium ring in the imidazolium-based ionic liquids. A systematic investigation is presented on the excess partial molar enthalpy, H(IL)(E) directly measured using isothermal titration calorimeter at 298.15 K for the interactions operating between cation and anion of four imidazolium ionic liquids with aqueous and various non-aqueous solvents. This reversal behavior is analyzed in terms of hydrophobic and solvation effects. (C) 2010 Published by Elsevier B.V.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2010.07.056}, author = {Rai, Gitanjali and Kumar, Anil} } @article { ISI:000278307300033, title = {Ring opening polymerization of dilactide using salen complex as catalyst}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {193-198}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The recent concerns about our environment have led to search for environmentally benign and sustainable materials that could substitute the more commonly used petroleum based materials. Biodegradable and sustainable polylactide (PLA) is becoming one of the most promising and practical materials as a partial replacement for the petroleum-based materials. The commercially available PLA is generally homochiral poly(L-lactide) (PLLA) at present because L-lactic acid with high optical purity can only be obtained in bulk by fermentation of carbohydrate. PLLA is mostly synthesized by ring opening polymerization (ROP) of homochiral L-lactide (LLA), which is a cyclic dimer of L-lactic acid. In the present work, poly(L-lactide)s were synthesized by the ring opening polymerization (ROP) of L-lactide using iron and manganese salen complexes as catalyst. The new iron and manganese salen complexes were synthesized, purified, characterized and used as catalyst for polymerization of L-lactide. The poly(L-lactide)s prepared were characterized by infrared, proton NMR spectroscopy, solution viscosity, gel permeation chromatography, thermal analysis and X-ray diffraction. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Gel permeation chromatography, Iron salen catalyst, L-Lactic acid, L-Lactide, Manganese salen catalyst, Poly(L-lactide), ring opening polymerization, Solution viscosity}, issn = {0921-5107}, doi = {10.1016/j.mseb.2009.10.037}, author = {Idage, Bhaskar B. and Idage, Susheela B. and Kasegaonkar, A. S. and Jadhav, R. V.} } @article { ISI:000276592000007, title = {Robustness of the drosophila segment polarity network to transient perturbations}, journal = {IET Systems Biology}, volume = {4}, number = {2}, year = {2010}, month = {MAR}, pages = {169-176}, publisher = {INST ENGINEERING TECHNOLOGY-IET}, address = {MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND}, abstract = {
Continuous and Boolean models for the Drosophila segment polarity network have shown that the system is able to maintain the wild-type pattern when subjected to sustained changes in the interaction parameters and initial conditions. Embryo development is likely to occur under fluctuating environmental conditions. Here, a well-established Boolean model is used to explore the ability of the segment polarity network to resist transient changes. Paths along which alternate unviable states are reached, and hence critical nodes whose state changes lead the system away from the wild-type state, are identified. It is found that the system appears to be more sensitive to changes that involve activation of normally inactive nodes. Through a simulation of the heat shock response, it is shown how a localised perturbation in one parasegment is more deleterious than a global perturbation affecting all parasegments. The sequence of events involved in the recovery of the system from a global transient heat shock condition is identified. Finally, these results are discussed in terms of the robustness of the system response.
}, issn = {1751-8849}, doi = {10.1049/iet-syb.2009.0036}, author = {Subramanian, K. and Gadgil, Chetan J.} } @article { ISI:000279836400055, title = {Room temperature synthesis of rutile TiO2 hierarchical nanoneedle flower morphology for dye sensitized solar cell}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {10}, number = {9}, year = {2010}, month = {SEP}, pages = {5894-5898}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Rutile TiO2 nanoneedle flowers (representing concurrent nano-micro hierarchical morphology) with high shape anisotropy ratio are synthesized at room temperature by using a simple and efficient one step electrochemical process of anodic dissolution. This process employs highly acidic bath of perchloric acid (pH \< 2) and a large current density on the surface of Titanium foil to form nanostructures. The diameter and length of rutile TiO2 nanoneedle is similar to 8 nm and 100 nm respectively (aspect ratio \> 10). Dye sensitized solar cell (DSSC) configured using such rutile TiO2 flowers is shown to exhibit IPCE of 30\% and power conversion efficiency of similar to 3.6\%.
}, keywords = {Anodization, DSSC, Nanoneedles, Rutile TiO2}, issn = {1533-4880}, doi = {10.1166/jnn.2010.2475}, author = {Hyam, Rajeshkumar S. and Bhosale, Reshma K. and Lee, Wonjoo and Han, Sung-Hwan and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000284454600041, title = {Ru(II) phenanthroline complex as catalyst for chemoselective hydrogenation of nitro-aryls in a green process}, journal = {Industrial \& Engineering Chemistry Research}, volume = {49}, number = {23}, year = {2010}, month = {DEC}, pages = {12180-12184}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Ru(II) Phenanthroline [Ru(II)(Phen)(n) where n = 1,2,3] complexes were used as highly chemoselective catalysts for hydrogenation of nitro aryls using molecular hydrogen in an aqueous media. Water, universal solvent, was used as a reaction mixture for hydrogenation of nitro-aryls to make the process green. The chemoselectivity in hydrogenation of substituted nitrobenzene to substituted aniline was obtained as high as \>99\% at about complete conversion of substituted nitrobenzene. The parametric effects, including effect of solvent, effect of ligand, effect of metal to ligand ratio, effect of temperature and pressure, were studied in detail to obtain the best results. The Ru(Phen)(n) was characterized by FTIR, UV-vis, and XPS.
}, issn = {0888-5885}, doi = {10.1021/ie1015969}, author = {Deshmukh, Amit A. and Prashar, Atul K. and Kinage, Anil K. and Kumar, Rajiv and Meijboom, Reinout} } @article { ISI:000282871600015, title = {Selective CO2 and H-2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites}, journal = {Journal of Materials Chemistry}, volume = {20}, number = {41}, year = {2010}, month = {SEP}, pages = {9073-9080}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A rare porous magnesium-based metal-organic framework, Mg-MOF-1 [Mg(3,5-PDC)(H2O)], was synthesized solvothermally in DMF. Structural determination by X-ray single-crystal diffraction technique reveals that this chiral MOF (space group P6(1)22) is constructed by helical assembly of Mg2+ ions with achiral 3,5-pyridine dicarboxylates and coordinating water molecules, to form a three-dimensional framework with parallel hexagonal channels. The structural detail of its 0D analogue Mg-MOF-2 [Mg(2,4-PDC)(H2O)(3)] has been discussed to show how subtle variation in the ligand architecture changes the resulting structure from 0D to 3D. Mg-MOF-1 remains robust and porous upon evacuation of the coordinating water molecules. This is the first report of a chiral hexagonal Mg-MOF synthesized from an achiral organic building unit. Open Mg metal sites show selective hydrogen (H-2) adsorption (ca. 0.8 wt\% at 77 K) and carbon dioxide (CO2) uptake (ca. 0.7 mmol g(-1) at 298 K) over nitrogen at 1 atm. Ab initio quantum chemical calculation of adsorption energies and possible adsorption sites of hydrogen molecules are also reported.
}, issn = {0959-9428}, doi = {10.1039/c0jm01125h}, author = {Mallick, Arijit and Saha, Subhadeep and Pachfule, Pradip and Roy, Sudip and Banerjee, Rahul} } @article { ISI:000284494800013, title = {Selective hydrogenolysis of glycerol to 1,2-propanediol: comparison of batch and continuous process operations}, journal = {Organic Process Research \& Development}, volume = {14}, number = {6}, year = {2010}, month = {NOV}, pages = {1393-1400}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The screening of copper chromite catalysts with various promoters such as Al, Zn, and Ba for glycerol hydrogenolysis to 1,2-propanediol (1,2-PDO) in a batch reaction showed that Cu-Cr (Ba) catalyst gave the highest conversion of 34\% and selectivity of 84\% to 1,2-PDO. In a continuous operation (23 g catalyst bed) the same catalyst showed higher conversion of glycerol and selectivity for 1,2-PDO of 65\% and \> 90\%, respectively, with an on-stream activity of similar to 800 h. Better performance in a continuous operation could be due to the in situ activation of the catalyst, suppression of glycerol cracking to ethylene glycol, as well as excessive hydrogenation of 1,2-PDO to 2-propanol due to lower contact time of 1.3 h as compared to that in a batch operation (5 h). Effects of various process parameters on conversion and selectivity also have been compared for batch and continuous operations.
}, issn = {1083-6160}, doi = {10.1021/op1001897}, author = {Rode, Chandrashekhar V and Ghalwadkar, Ajay A. and Mane, R. B. and Hengne, Amol M. and Jadkar, Sachin T. and Biradar, Narayan S.} } @article { ISI:000285027100017, title = {Self-organizing maps: a tool to ascertain taxonomic relatedness based on features derived from 16S rDNA sequence}, journal = {Journal of Biosciences}, volume = {35}, number = {4}, year = {2010}, month = {DEC}, pages = {617-627}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Exploitation of microbial wealth, of which almost 95\% or more is still unexplored, is a growing need. The taxonomic placements of a new isolate based on phenotypic characteristics are now being supported by information preserved in the 16S rRNA gene. However, the analysis of 16S rDNA sequences retrieved from metagenome, by the available bioinformatics tools, is subject to limitations. In this study, the occurrences of nucleotide features in 16S rDNA sequences have been used to ascertain the taxonomic placement of organisms. The tetra- and penta-nucleotide features were extracted from the training data set of the 16S rDNA sequence, and was subjected to an artificial neural network (ANN) based tool known as self-organizing map (SOM), which helped in visualization of unsupervised classification. For selection of significant features, principal component analysis (PCA) or curvilinear component analysis (CCA) was applied. The SOM along with these techniques could discriminate the sample sequences with more than 90\% accuracy, highlighting the relevance of features. To ascertain the confidence level in the developed classification approach, the test data set was specifically evaluated for Thiobacillus, with Acidiphilium, Paracocus and Starkeya, which are taxonomically reassigned. The evaluation proved the excellent generalization capability of the developed tool. The topology of genera in SOM supported the conventional chemo-biochemical classification reported in the Bergey manual.
}, keywords = {Curvilinear component analysis, Principal component analysis, self-organizing maps}, issn = {0250-5991}, doi = {10.1007/s12038-010-0070-y}, author = {Raje, D. V. and Purohit, H. J. and Badhe, Yogesh P. and Tambe, S. S. and Kulkarni, B. D.} } @conference { ISI:000280550300020, title = {Shear induced diffusion in dense granular flows}, booktitle = {IUTAM-ISIMM Symposium on Mathematical Modeling and Physical Instances of Granular Flows}, series = {AIP Conference Proceedings}, volume = {1227}, year = {2010}, note = {IUTAM-ISIMM Symposium on Mathematical Modeling and Physical Instances of Granular Flows, Reggio Calabria, ITALY, SEP 14-18, 2009}, month = {JUN}, pages = {221-229}, publisher = {IUTAM; ISIMM; Italian Inst Higher Math; US Natl Sci Fdn; Reg Council Reggio Calabria; Prov Reggio Calabria; Mediterranean Univ Reggio Calabria}, organization = {IUTAM; ISIMM; Italian Inst Higher Math; US Natl Sci Fdn; Reg Council Reggio Calabria; Prov Reggio Calabria; Mediterranean Univ Reggio Calabria}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {
The dynamics of dense granular flows subjected to gravity induced shear are investigated experimentally using the refractive index matching technique. The system consists of grains flowing inside a bin with a rectangular cross-section and sheared by a rough boundary on one side and smooth boundaries on the remaining sides. The particles flow within a viscous interstitial liquid having the same refractive index as particles and are imaged in the bulk using laser fluorescence. The particle positions are identified very accurately and tracked over long durations to obtain the mean and fluctuating properties. The shear is observed to be non-linear and localized in a region of 3 to 4 particles near the boundary. The boundary imposes a packing order, and the grains are observed to flow in layers, parallel to the shearing boundary, which get progressively more disordered with distance from the walls. We have also carried out soft particle simulations in a equivalent system incorporating the Cundall-Strack contact model between the particles and ignoring the hydrodynamic effects of the interstitial liquid to understand the effect of particle friction coefficient, elasticity, contact model and polydispersity on the mean and fluctuating flow properties. We find the mean velocity and the number density of the particles as a function of flow cross-section and the particle fluctuation properties observed in the experiments and the simulations to in very good agreement after appropriate scaling.
}, keywords = {DEM, Diffusion, granular, index matching, LAMMPS, laser fluorescence}, isbn = {978-0-7354-0772-5}, issn = {0094-243X}, doi = {10.1063/1.3435393}, author = {Orpe, Ashish V. and Rycroft, Chris H. and Kudrolli, Arshad A.}, editor = {Goddard, J. D. and Jenkins, J. T. and Giovine, P.} } @article { ISI:000281783500005, title = {Short and efficient synthesis of (S)-(+)-2-(Hydroxymethyl)-6-piperidin-2-one}, journal = {Synthesis-Stuttgart}, number = {15}, year = {2010}, month = {AUG}, pages = {2512-2514}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A concise synthesis of (S)-(+)-2-(hydroxymethyl)-6-piperidin-2-one is described that employs L-aspartic acid as chiral pool starting material and Wittig reaction as the key step.
}, keywords = {Amino acid, Hydrogenation, L-aspartic acid, pipecolate, piperidone, Wittig reaction}, issn = {0039-7881}, doi = {10.1055/s-0029-1218823}, author = {Upadhyay, Puspesh K. and Kumar, Pradeep} } @article { ISI:000278198200009, title = {Short enantioselective synthesis of guggultetrol, a naturally occurring lipid}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {5}, year = {2010}, month = {MAR}, pages = {558-561}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An enantioselective synthesis of the naturally occurring lipid, guggultetrol, is described with an overall yield of 24\% starting from commercially available 1-pentadecanol in ten linear steps. The key chiral-inducing steps include a Sharpless asymmetric epoxidation of allylic alcohol and a dihydroxylation of an alpha,beta-unsaturated ester. (C) 2010 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.02.019}, author = {George, Shyla and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000277738400017, title = {Simple and efficient synthesis of 2-Aryl-2,3-dihydroquinolin-4(1H)-ones using silica chloride as a new catalyst under solvent-free conditions}, journal = {Synthetic Communications}, volume = {40}, number = {9}, year = {2010}, month = {APR}, pages = {PII 921000023}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A mild, efficient, and high-yielding method for the synthesis of 2-aryl-2,3-dihydroquinolin-4(1H)-ones from their corresponding 2-amino chalcones using silica chloride (SiO2Cl) under solvent-free conditions is described. A series of 2-aryl-2,3-dihydroquinolin-4(1H)-ones containing both electron-donating and electron-withdrawing substituents were synthesized.
}, keywords = {2-Amino chalcones, 2-aryl-2, 3-dihydroquinolin-4(1H)-ones, Microwave, silica chloride}, issn = {0039-7911}, doi = {10.1080/00397910903097252}, author = {Muthukrishnan, Murugan and Mujahid, Mohammad and Punitharasu, V. and Dnyaneshwar, D. A.} } @article { ISI:000281175500059, title = {Simple chemical co-precipitation/calcination route for the synthesis of simulated synroc-B and synroc-C powders}, journal = {Materials Chemistry and Physics}, volume = {123}, number = {2-3}, year = {2010}, month = {OCT}, pages = {695-699}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A simple chemical co-precipitation/calcination route was developed for the synthesis of simulated synroc-B and synroc-C powders using mostly nitrate salts as starting chemicals and 20\% ammonia solution as precipitant. In this route, a mixed solution containing Al-nitrate, Ca-nitrate, Ba-nitrate, zirconyl nitrate and titanyl nitrate in the molar proportion required for synroc-B is added to dilute ammonia solution to precipitate these cations in the form of their hydroxides at room temperature by maintaining pH approximate to 10.5 during precipitation. Formation of a major fluorite phase with minor amounts of anatase, rutile and hollandite phases is observed in the powder obtained after calcination in air at 750 degrees C. Multiphase crystalline synroc-B matrix containing hollandite, perovskite, zirconolite, and rutile phases is obtained after sintering the heat treated powder in the form of pellets at 1230 degrees C for 4h in air. Similarly, pure synroc-C phases with 14 and 20\% simulated waste loadings were synthesized following the same synthesis protocol. These pre-treated powders with a high surface area of similar to 25 m(2) g(-1) gave sintered ceramics having density of similar to 90\% for 14 and 20\% waste loadings. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Chemical synthesis, Oxides, Sintering}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2010.05.039}, author = {Potdar, H. S. and Vijayanand, S. and Mohaideen, Kamal Khaja and Patil, K. R. and Joy, Pattayil Alias and Madhavan, R. Raja and Kutty, K. V. G. and Ambashta, Ritu D. and Wattal, P. K.} } @article { ISI:000284261800094, title = {Small molecule inhibition of phosphatidylinositol-3,4,5-triphosphate (PIP3) binding to pleckstrin homology domains}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {46}, year = {2010}, month = {NOV}, pages = {20126-20131}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {
The PI3-kinase (PI3K) pathway regulates many cellular processes, especially cell metabolism, cell survival, and apoptosis. Phosphatidylinositol-3,4,5-trisphosphate (PIP3), the product of PI3K activity and a key signaling molecule, acts by recruiting pleckstrin-homology (PH) domain-containing proteins to cell membranes. Here, we describe a new structural class of nonphosphoinositide small molecule antagonists (PITenins, PITs) of PIP3-PH domain interactions (IC50 ranges from 13.4 to 31 mu M in PIP3/Akt PH domain binding assay). PITs inhibit interactions of a number of PIP3-binding PH domains, including those of Akt and PDK1, without affecting several PIP2-selective PH domains. As a result, PITs suppress the PI3K-PDK1-Akt pathway and trigger metabolic stress and apoptosis. A PIT-1 analog displayed significant antitumor activity in vivo, including inhibition of tumor growth and induction of apoptosis. Overall, our studies demonstrate the feasibility of developing specific small molecule antagonists of PIP3 signaling.
}, keywords = {Anticancer, PIP3 antagonist}, issn = {0027-8424}, doi = {10.1073/pnas.1004522107}, author = {Miao, Benchun and Skidan, Igor and Yang, Jinsheng and Lugovskoy, Alexey and Reibarkh, Mikhail and Long, Kai and Brazell, Tres and Durugkar, Kulbhushan A. and Maki, Jenny and Ramana, C. V. and Schaffhausen, Brian and Wagner, Gerhard and Torchilin, Vladimir and Yuan, Junying and Degterev, Alexei} } @article { ISI:000285682500012, title = {Solid-acid-based process for the conversion of hemicellulose}, journal = {Green Chemistry}, volume = {12}, number = {12}, year = {2010}, month = {DEC}, pages = {2153-2156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We describe a solid-acid-catalyzed conversion of hemicellulose (a component of lignocellulosic material) into xylose, arabinose and furfural in aqueous media.
}, issn = {1463-9262}, doi = {10.1039/c004128a}, author = {Dhepe, Paresh Laxmikant and Sahu, Ramakanta} } @article { ISI:000275580600010, title = {Solvent-free selective oxidation of benzyl alcohol to benzaldehyde by tert-butyl hydroperoxide over U3O8-supported nano-gold catalysts}, journal = {Applied Catalysis A-General}, volume = {375}, number = {2}, year = {2010}, month = {MAR}, pages = {252-257}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Liquid-phase oxidation of benzyl alcohol to benzaldehyde by tertiary butyl hydroperoxide over different uranium oxide supported nano-gold catalysts in the absence of a solvent has been thoroughly investigated. The influences of catalyst parameters [viz, method of gold deposition (impregnation, co-precipitation, deposition-precipitation and homogeneous deposition-precipitation), gold loading (08 wt\%) and catalyst calcination temperature (100-900 degrees C)] on the catalyst performance have been investigated. The influence of reaction conditions [viz, reaction time (0-2 h) and temperature (25-94 degrees C)] on the process performance has also been studied. The Au/U3O8 catalyst prepared by the homogeneous deposition-precipitation and calcined at 400 degrees C showed very high activity (100\% benzyl alcohol conversion with \>85\% selectivity for benzaldehyde) in the process for a short reaction period (0.5 h) at 94 degrees C. The catalyst also showed excellent reusability in the process. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Au/U3O8 catalyst, Benzaldehyde, Benzyl alcohol, Nano-gold, Partial oxidation, tert-Butyl hydroperoxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2010.01.007}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @article { ISI:000275937400001, title = {Solvent-induced viscosity changes in ionic liquids - a review}, journal = {Proceedings of the National Academy of Sciences India Section A-Physical Sciences}, volume = {80}, number = {1}, year = {2010}, month = {JAN}, pages = {1-12}, publisher = {NATL ACAD SCIENCES INDIA}, address = {5 LAJPATRAI RD, ALLAHABAD 211002, INDIA}, abstract = {
The high viscosity of several ionic liquids is an undesirable property for their applications in a variety of chemical reactions and electrochemical devices. Addition of a solvent in an ionic liquid is known to reduce its high viscosity to a great extent. In this review, an attempt has been made to examine the published data on the reduction in viscosities of many ionic liquids upon the addition of molecular solvents, including water. A tentative description has been provided for the drop in viscosities under these conditions. Analysis of the viscosity data with the help of empirical equations has been summarized. This critical review also outlines the future outlook of the required studies that might be useful to those who are interested in using ionic liquids for a variety of applications.
}, keywords = {ionic liquids, solvent, viscosity}, issn = {0369-8203}, author = {Khupse, Nageshwar D. and Kumar, Anil} } @proceedings {42678, title = {On some aspects of fock-space multi-reference coupled-cluster singles and doubles energies and optical properties}, volume = {11}, year = {2010}, month = {APR}, pages = {375-393}, publisher = {Springer}, address = {Netherlands}, author = {Manohar, Prashant Uday and Shamasundar, K. R. and Bag, Arijit and Vaval, Nayana and Pal, Sourav} } @conference { ISI:000279938400011, title = {Static hyper-polarizability of open shell molecules computed at the FSMRCCSD level using constrained variational approach}, booktitle = {International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives}, series = {Astrophysics and Space Science Proceedings}, year = {2010}, note = {International Conference on Recent Advances in Spectroscopy - Theoretical, Astrophysical and Experimental Perspectives, Indian Inst Astrophys, Kodaikanal Observatory, Bangalore, INDIA, JAN 28-31, 2009}, month = {FEB}, pages = {99-109}, publisher = {Springer}, organization = {Springer}, address = {233 Spring Street, New York, NY 10013, United States}, abstract = {
In recent years, there has been a significant development in the analytic derivatives of energy with respect to electric fields based on the state-of-the-art multi-reference coupled-cluster method using Lagrangian based constrained variational approach. So far, the Lagrangian based Fock space multi-reference coupled cluster (FSMRCC) method has been successfully used to calculate electrical dipole moment and polarizability of open shell molecules, particularly, doublet radicals at the ground state and the electronic excited states of closed shell molecules. In this article, Lagrangian based FSMRCC method has been implemented for the first time for calculation of hyper polarizabilites of a few doublet radicals such as OH, OF, NO and NO(2). Orbital-relaxed finite field FSMRCC values are reported for comparison.
}, isbn = {978-3-642-10321-6}, issn = {1570-6591}, doi = {10.1007/978-3-642-10322-3_11}, author = {Bag, Arijit and Bhattacharya, S. and Pal, S.}, editor = {Chaudhuri, R. K. and Mekkaden, M. V. and Raveendran, A. V. and Narayanan, A. S.} } @article { ISI:000274401600036, title = {Steady state and time resolved fluorescence quenching and chemical modification studies of a lectin from endophytic fungus fusarium solani}, journal = {Journal of Fluorescence}, volume = {20}, number = {1}, year = {2010}, month = {JAN}, pages = {305-313}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The solute quenching studies of a lectin from endophytic fungus Fusarium solani were carried out using different quenchers such as acrylamide, succinimide, potassium iodide and cesium chloride. The lectin showed emission maximum at 348 nm indicating relative exposure of tryptophan. The quenchable fraction of the fluorophore was 100\% with acrylamide, whereas it was only 50\% with succinimide. The ionic quenchers iodide and cesium showed opposite effects at different pH. In the case of cesium, raising the pH resulted in increased quenching and accessibility of typtophan residue, while the iodide showed just opposite effect. These studies showed that the single tryptophan residue of the lectin (per monomer) is relatively exposed, and might be in the vicinity of positively charged amino acid residues. Various amino acids of the F. solani lectin were modified using different reagents to obtain information about the hemagglutinating site. The chemical modification studies suggested tyrosine residues can be modified using N-acetylimidazole, which results in complete loss of hemagglutination activity of the lectin. Kinetics of chemical modification suggested involvement of only 2 tyrosine residues. Modification of arginine, cysteine, histidine, lysine, aspartate, glutamate and tryptophan did not result in loss of hemagglutinating activity of the lectin.
}, keywords = {Chemical modification, fluorescence, Fusarium, Lectin, Quenching, Time-resolved}, issn = {1053-0509}, doi = {10.1007/s10895-009-0556-x}, author = {Khan, Feroz and Ahmad, Absar and Khan, Mohammad Islam} } @article { ISI:000283697400019, title = {Stereocontrolled route to the synthesis of (+/-)-3-amino-2,2-dimethyl-1,3-diphenylpropan-1-ol}, journal = {Tetrahedron Letters}, volume = {51}, number = {45}, year = {2010}, month = {NOV}, pages = {5927-5929}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Both the diastereomers of (+/-)-3-amino-2,2-dimethyl-1,3-diphenylpropan-1-ol were synthesized starting from a common intermediate, namely,B-hydroxy, oxime 6. Diastereoselective reduction with NaBH(4)/TiCl(4) and H(2)-Pd/C provided syn- and anti-isomers, respectively. Good overall yield and selectivity were realized using a simple protocol. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {1, 3-Aminoalcohol, Aldol-Tishchenko reaction, beta-Hydroxy oxime, Diastereoslective reduction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.09.011}, author = {Patil, M. N. and Bhowmick, Kartick C. and Joshi, Navalkishore N.} } @article { ISI:000287635800023, title = {Stereoselective formal total synthesis of novel antibiotic (-)-centrolobine}, journal = {Heterocycles}, volume = {80}, number = {1}, year = {2010}, month = {JAN}, pages = {219-227}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A concise and stereoselective formal total synthesis of (-)-centrolobine is achieved utilizing Mioskowski{\textquoteright}s Lewis acid mediated epoxide opening followed by ring-closing metathesis as the key reaction.
}, keywords = {antibiotic, Centrolobine, Keck allylation, Ring-closing metathesis, Sharpless asymmetric epoxidation}, issn = {0385-5414}, doi = {10.3987/COM-08-S(S)1}, author = {Mohapatra, Debendra K. and Pal, Rita and Rahaman, Hasibur and Gurjar, Mukund K.} } @article { ISI:000275455500010, title = {Strain improvement of lactobacillus lactis for d-lactic acid production}, journal = {Biotechnology Letters}, volume = {32}, number = {4}, year = {2010}, month = {APR}, pages = {517-520}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Three mutants, isolated by repeated UV mutagenesis of Lactobacillus lactis NCIM 2368, produced increased d-lactic acid concentrations. These mutants were compared with the wild type using 100 g hydrolyzed cane sugar/l in the fermentation medium. One mutant, RM2-24, produced 81 g lactic acid/l which was over three times that of the wild type. The highest d-lactic acid (110 g/l) in batch fermentation was obtained with 150 g cane sugar/l with a 73\% lactic acid yield. The mutant utilizes cellobiose efficiently, converting it into d-lactic acid suggesting the presence of cellobiase. Thus, this strain could be used to obtain d-lactic acid from cellulosic materials that are pre-hydrolyzed with cellulase.
}, keywords = {Cellobiose utilization, D-Lactic acid production, Lactobacillus lactis, Mutant, Sucrose (cane sugar)}, issn = {0141-5492}, doi = {10.1007/s10529-009-0187-y}, author = {Joshi, D. S. and Singhvi, M. S. and Khire, Jayant Malhar and Gokhale, D. V.} } @article { ISI:000276199300050, title = {Strain-rate frequency superposition in large-amplitude oscillatory shear}, journal = {Physical Review E}, volume = {81}, number = {3, 1}, year = {2010}, month = {MAR}, pages = {031401}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
In a recent work, Wyss et al. [Phys. Rev. Lett. 98, 238303 (2007)] have noted a property of {\textquoteleft}{\textquoteleft}soft solids{\textquoteright}{\textquoteright} under oscillatory shear, the so-called strain-rate frequency superposition. We extend this study to the case of soft solids under large-amplitude oscillatory shear (LAOS). We show results from LAOS studies in a mono-disperse hydrogel suspension, an aqueous gel, and a biopolymer suspension and show that constant strain-rate frequency sweep measurements with soft solids can be superimposed onto master curves for higher harmonic moduli with the same shift factors as for the linear viscoelastic moduli. We show that the behavior of higher harmonic moduli at low frequencies in constant strain- rate frequency sweep measurements is similar to that at large strain amplitude in strain- amplitude sweep tests. We show surface plots of the harmonic moduli and the energy dissipation rate per unit volume in LAOS for soft solids and show experimentally that the energy dissipated per unit volume depends on the first harmonic loss modulus alone, in both the linear and the nonlinear viscoelastic regime.
}, issn = {1539-3755}, doi = {10.1103/PhysRevE.81.031401}, author = {Kalelkar, Chirag and Lele, Ashish K. and Kamble, Samruddhi} } @article { ISI:000280204900018, title = {Structural diversity in a series of metal-organic frameworks (MOFs) composed of divalent transition metals, 4,4 {\textquoteleft}-bipyridine and a flexible carboxylic acid}, journal = {Crystengcomm}, volume = {12}, number = {8}, year = {2010}, month = {APR}, pages = {2381-2389}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A series of flexible metal-organic frameworks (MOFs) have been successfully synthesized under hydrothermal condition using 1,3-adamantanediacetic acid (C(14)H(20)O(4), H(2)ADA) as a flexible dicarboxylate building block, 4,4{\textquoteright}-bipyridine and transition metal ions [Cd(II), Zn(II), and Mn(II)] as metal centers in DMF and aqueous media. These MOFs formulated as [Cd(ADA)(4,4{\textquoteright}-bipy)(0.5)]center dot(DMF) (Cd-ADA-1), [Mn(ADA)(4,4{\textquoteright}-bipy)(0.5)]center dot(DMF) (Mn-ADA-1), Zn(ADA)(4,4{\textquoteright}-bipy)(0.5) (Zn-ADA-1), and [Mn(HADA)(2)(4,4{\textquoteright}-bipy)(H(2)O)(2)] (Mn-ADA-2) (ADA = 1,3-adamantanediacetate, 4,4{\textquoteright}-bipy = 4,4{\textquoteright}-bipyridine and DMF = N,N{\textquoteright}-dimethyl formamide) display interesting 1D, 2D and 3D structural features depending on the solvent of synthesis. All these MOFs were structurally determined by single-crystal X-ray diffraction. The coordination modes of this ligand are discussed and in addition, thermal stability and hydrogen (H(2)) and carbon-dioxide (CO(2)) adsorption properties of Cd-ADA-1, Mn-ADA-1 and Zn-ADA-1 are also presented. Hydrogen sorption at 77 K and up to 1 atm is found to be 0.42, 0.72 and 1.36 wt\% without saturation for Zn-ADA-1, Mn-ADA-1 and Cd-ADA-1 samples.
}, issn = {1466-8033}, doi = {10.1039/c000723d}, author = {Pachfule, Pradip and Panda, Tamas and Dey, Chandan and Banerjee, Rahul} } @article {42725, title = {Structural diversity in manganese, iron and cobalt complexes of the ditopic 1,2- bis(2,2{\textquoteright}-bipyridyl-6-yl)ethyne ligand and observation of epoxidation and catalase activity of manganese compounds}, journal = {Royal Society of Chemistry}, volume = {39}, year = {2010}, month = {JUN}, pages = {7266-7275}, abstract = {
A ditopic 1,2-bis(2,2'-bipyridyl-6-yl)ethyne ligand, L, has been synthesized for the first time by consecutive Suzuki and Sonogashira coupling reactions either in a one- or two-step synthesis. Coordination of L with some first-row transition metals, Fe, Mn and Co showed a very rich structural diversity that can be obtained with this ligand. Reaction of L with MnII(OAc)2 yielded a dimanganese(II) complex, [Mn2L(μ-OAc)3]PF6, (1) where the two somewhat inequivalent trigonal-bipyramidal Mn atoms separated by 3.381 {\r A} are bridged by L and three acetate moieties. A similar reaction of L with MnIII(OAc)3 yielded a very different dimanganese complex [Mn2L'(OH)(OAc)2(DMF)2]PF6{\textperiodcentered}DMF (2) where L' is a E-1,2-bis(2,2'-bipyridyl-6-yl)ethene fragment that was formed in situ. The L' ligand bridges between the two Mn centers, despite its trans configuration, which leads to a very strained ethene bridging moiety. The Mn atoms are also bridged by two acetate ligands and a hydroxy group that bridges between the Mn atoms and the ethene fragment; DMF completes the octahedral coordination around each Mn atom which are separated by 3.351 {\r A}. A comproportionation reaction of L with MnII(OAc)2 and n-Bu4NMnO4 yielded a tetramanganese compound, [Mn4(μ3-O)2(OAc)4(H2O)2L2](PF6)2{\textperiodcentered}2CH3CN (3). Compound 3 has a dimer of dimers structure of the tetranuclear Mn core that consists of binuclear [Mn2O(OAc)2L]+ fragment and a PF6 anion. BVS calculations indicate that 3 is a mixed-valent 2MnII plus 2MnIII compound where two [MnII2O(OAc)2L]+ fragments are held together by MnIII{\textendash}O inter-fragment linkers which have a distorted octahedral geometry. The Mn atoms in the [Mn2O(OAc)2L]+ fragments have a capped square-pyramid configuration where an aqua ligand is capped on one of the faces. Although the aqua ligand is well within a bonding distance to a carbon atom of the proximal ethyne bridge, there does not appear to be an oxygen{\textendash}carbon bond formation, rather the ligand is constrained in this position, as deduced by the observation that the bond lengths and angles of the ligand are essentially the same as those for the free ligand, L. Reaction of L with perchlorate or triflate salts of Fe(II), Mn(II) and Co(II) in dry acetonitrile yielded binuclear triple helicate structures (2[thin space (1/6-em)]:[thin space (1/6-em)]3 metal to L ratios) [Fe2L3](CF3SO3)4{\textperiodcentered}CH3CN (4), [Mn2L3](ClO4)4{\textperiodcentered}1.7CH3CN{\textperiodcentered}1.65EtOEt (5) and [Co2L3](ClO4)4{\textperiodcentered}2CH3CN{\textperiodcentered}2EtOEt (6) where each M(II) center with a slightly distorted octahedral geometry is bridged by three of the ditopic ligands. The M{\textendash}M distances varied; 5.961 {\r A} (Mn), 6.233 {\r A} (Co) 6.331 {\r A} (Fe). Reaction of L with Co(ClO4)2{\textperiodcentered}6H2O in wet acetonitrile yielded a dicobalto(III) compound, [Co2L'3(O)2](ClO4)2{\textperiodcentered}H2O (7), with two types of L' fragments; one bridging between the two Co centers and two non-bridging ligands, each bonded to a Co atom via one bipyridyl group where the other is non-bonding. The octahedral coordination sphere around each Co atom is completed by the formation of a cobalt{\textendash}carbon bond from the two carbon atoms of the ethene moiety of the bridging ligand and by a hydroxy moiety that is also bonded to the ethene group of the non-bridging ligand. Reaction of L with Co(ClO4)2{\textperiodcentered}6H2O in dry acetonitrile in the presence of Et3N yielded the tetracobalto(II) complex {[Co2L4(OH)4](ClO4)4}2 (8) with a unique twisted square configuration of cobalt ions with Co{\textendash}Co distances of 3.938 to 4.131 {\r A}. In addition to the L bridging ligand the Co atoms are linked by hydroxy moieties. Some preliminary catalytic studies showed that the Mn compounds 1 and 2 were active (high yield within 3 min) for alkene epoxidation with peracetic acid and hydrogen peroxide dismutation (catalase activity).
}, doi = {10.1039/B925129D}, author = {Madhu, Vedichi and Ekambaram, Balaraman and Shimon, Linda J. W. and Diskin, Yael and Leitus, Gregory and Neumann, Ronny} } @article { ISI:000275049800051, title = {Structural diversity in partially fluorinated metal organic frameworks (F-MOFs) composed of divalent transition metals, 1,10-phenanthroline, and fluorinated carboxylic acid}, journal = {Crystal Growth \& Design}, volume = {10}, number = {3}, year = {2010}, month = {MAR}, pages = {1351-1363}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Seven new partially fluorinated metal-organic frameworks (F-MOFs) have been synthesized under different solvothermal conditions (H(2)O or N,N-dimethylformamide (DMF)) from transition metal cations [Zn(II), Co(II), and Mn(II)], 1,10-phenanthroline (phen), and 4,4{\textquoteright}-(hexafluoroisopropylidene) bis(benzoic acid) (C(17)H(10)F(6)O(4), H(2)hfbba) to determine the influence of reaction conditions on the formation of metal-organic frameworks. This family of materials displays a striking degree of structural similarity depending on the solvent of synthesis. Of the seven materials, two contain three-dimensional connectivity: Co(3)(hfbba)(6)(phen)(2) (F-MOF-6) and Mn(3)(hfbba)(6)(Phen)(2) (F-MOF-10). Three materials are one-dimensional structures: Zn(hfbba)(0.5)(phen)(HCO(2)) (F-MOF-8), Mn(Hhfbba)(2)(Phen) (F-MOF-11), and [Mn(hfbba)(2)(dm-phen)]center dot(H(2)O) (F-MOF-11A). Lastly, Co(hfbba)(phell)(2)center dot 2(H(2)hfbba)(H(2)O)(HCO(2)) (F-MOF-7) and Zn(hfbba)(phen)(2)center dot 2(H(2)hfbba) (H(2)O)-(HCO(2)) (F-MOF-9) are discrete zero-dimensional molecular complexes. F-MOF-6 and -10, which feature it three-dimensional (3D) framework with pcu topolgy are formed in DMF like F-MOF-8 and at 85 degrees C. The remaining F-MOFs are formed by a solvothermal reaction at 120 degrees C in water. F-MOF-7 and -9 are isostructural discrete zero-dimensional molecular complexes (a similar to 19.5; b similar to 13.7; c similar to 26.2/29.6 angstrom; beta similar to 99.9/120.04; V similar to 6840 angstrom(3)). All these F-MOFs were structurally determined by single-crystal X-ray diffraction. Solid-state properties such its UV-vis and the thermal stability of F-MOF-6 to -11A have also been studied. Insight into the factors influencing the preferred crystallization of a specific complex over others has been obtained from full quantum chemical (QM) calculations using density functional theory (DFT).
}, issn = {1528-7483}, doi = {10.1021/cg9013812}, author = {Pachfule, Pradip and Dey, Chandan and Panda, Tamas and Vanka, Kumar and Banerjee, Rahul} } @article { ISI:000278147900009, title = {Structural, magnetic, and gas adsorption study of a two-dimensional tetrazole-pyrimidine based metal-organic framework}, journal = {Crystal Growth \& Design}, volume = {10}, number = {6}, year = {2010}, month = {JUN}, pages = {2475-2478}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new two-dimensional (2D) metal-organic framework, Cu-TP-1, has been synthesized under solvothermal conditions (DMF) from the transition metal cation Cu(II) and 2-tetrazole pyrimidine (C5H5N6, H-TP). The structure has been determined by single crystal X-ray crystallography which shows a (6,3) honeycomb 2D net with perpendicular one-dimensional channels. Permanent porosity of Cu-TP-1 has been determined by the nitrogen adsorption isotherm. Cu-TP-1 show interesting H-2 and CO2 uptake. CO2 uptake of Cu-TP-1 (at 298 K, 1 atm pressure) is seen to be comparable to the recently reported ZIF-95 which outperforms ZIF-100 and BPL carbon. The magnetic properties show an antiferromagnetically coupled Cu ... Cu interaction down to 8 K with a Weiss temperature around 108 K.
}, issn = {1528-7483}, doi = {10.1021/cg1003726}, author = {Pachfule, Pradip and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000276190900021, title = {Structure and gelation mechanism of silk hydrogels}, journal = {Physical Chemistry Chemical Physics}, volume = {12}, number = {15}, year = {2010}, month = {FEB}, pages = {3834-3844}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Silk fibroin was regenerated from cocoons produced by the silkworm Bombyx Mori. Light scattering showed that an aqueous solution of the regenerated silk fibroin (RSF) was made of individual proteins with a weight average molar mass of about 4 x 10(5) g mol(-1) and a hydrodynamic radius of about 10 nm. Gel formation of RSF in acidic solutions was investigated as a function of the pH (2-4), concentration (0.5-10 g L(-1)) and temperature (5-70 degrees C). The structure of the gels was studied using light scattering and confocal laser scanning microscopy. The structure was found to be self-similar from length scales of less than 15 nm up to length scales of about 1 mm, and characterized by a correlation length of a few microns. Gel formation was tracked using turbidity, rheology, light scattering and circular dichroism. Gelation involves the formation of self-similar aggregates with a growth rate that increases exponentially. The protein aggregation is correlated to, and perhaps caused by, the formation of beta-sheets, the fraction of which also increases exponentially with time.
}, issn = {1463-9076}, doi = {10.1039/b916319k}, author = {Nagarkar, Shailesh and Nicolai, Taco and Chassenieux, Christophe and Lele, Ashish K.} } @article { ISI:000273580700038, title = {Structure, electronic structure, optical, and dehydrogenation catalytic study of (Zn1-zInz)(O1-xNx) solid solution}, journal = {Chemistry of Materials}, volume = {22}, number = {2}, year = {2010}, month = {JAN}, pages = {565-578}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Indium and nitrogen codoping in ZnO leads to a solid solution of InN in ZnO with I composition of(Zn1-zInz)(O1-xNx). A simple solution combustion method has been adopted to prepare the above materials in less than 10 min with metal nitrates as the metal loll source and urea as fuel. With reference to ZnO, significant increase in lattice parameters was observed with increasing In-content. However, the In2O3 phase was Observed along with InN for]it content \>= 10\%. Optical absorption extended into the Visible region, at least LIP to 550 nm, demonstrates an effective reduction of optical band gap due to the formation of solid Solution. A new feature observed just above O2p valence band in X-ray photoelectron spectroscopy (XPS) suggests the creation of N 2p states from InN; the N Is core level XPS result too confirms nitride contribution. Raman spectroscopy and secondary ion mass spectrometry results show direct In-N, Zn-N. and In-N-Zn fragments in (Zn1-zInz)(O1-x,N-x). Catalytic activity explored for Oxidation of 2-butanol to ethyl methyl ketone demonstrates a high selectivity at 350 and 400 degrees C. All of the above characteristics suggest the multifunctional nature of (Zn1-zInz)(O1-xNx) and its potential for other applications.
}, issn = {0897-4756}, doi = {10.1021/cm903368r}, author = {Mapa, Maitri and Sivaranjani, Kumarsrinivasan and Bhange, Deu S. and Saha, Biswajit and Chakraborty, Purushottam and Viswanath, Annamraju Kasi and Gopinath, Chinnakonda S.} } @article { ISI:000279333000002, title = {Structure-activity studies of dodecatungstophosphoric acid impregnated bentonite clay catalyst in hydroxyalkylation of p-cresol}, journal = {Catalysis Communications}, volume = {11}, number = {11}, year = {2010}, month = {JUN}, pages = {942-945}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Bentonite clay impregnated with dodecatungstophosphoric acid (20\% DTP/BNT) showed an excellent activity, selectivity and stability [95\% product yield with 94\% selectivity to 2, 2{\textquoteright}-methylenebis (4-methylphenol), DAM] for the hydroxyalkylation of p-cresol with formaldehyde at 353 K and for a mole ratio of 5. Ammonia-TPD results showed that an increase in total concentration of acid sites from 4.9 of parent bentonite to 11.6 micromoles per surface area NH(3) (mu molS(-1) NH(3)) of 20\% DTP/BNT was due to a strong interaction of protons of bulk DTP with surface hydroxyl groups of BNT as evidenced by (31)P NMR studies. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {(31)P CPMAS NMR, Bentonite, Hydroxyalkylation, p-Cresol, surface modification}, issn = {1566-7367}, doi = {10.1016/j.catcom.2010.04.008}, author = {Garade, Ajit C. and Kshirsagar, V. S. and Jha, Ajay and Rode, C. V.} } @article { ISI:000281125800003, title = {Structure-function mimicry of oxidized purple acid phosphatase-PAP(ox)-A new functional model}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {49}, number = {8}, year = {2010}, month = {AUG}, pages = {1023-1029}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
{Electronic structure and spectroscopic properties of the novel diiron active site of oxidized mammalian purple acid phosphatase analogues, Fe-6: [Fe-2 (mu-O) (mu-OAc) (4HNSQ(ox))(2 center dot-)(ONSQ(ox))(2 center dot-)(H2O)(4)] and Fe-7: [Fe-2 (mu-O) (mu-OAc)(ONSQ(ox))(2 center dot-)(OAc) (H2O)(4)] are described. Magnetic susceptibility SQUID data of Fe-6 are best fitted to Heisenberg{\textquoteright}s isotropic spin pair (S = 5/2, 3/2) model using magnetic parameters g = 2 and J = - 36.8 cm(-1) with R factor = 6.4 x 10(-4). The antiferromagnetic exchange establishes Fe(III)-O-Fe(III) dimeric core with Fe(III) site having two radical ligations in the naphthosemiquinone oxime form of lawsone oxime. In the model compound Fe-7 of oxidized purple acid phosphatase, bridged and terminal acetate functions are identified according to their different energies of activations, i.e, similar to 34 and 58 kJ mol(-1) respectively. Also, the reduced naphthoquinone oxime form of ligand is characterized by its energy of activation (similar to 15 kJ mol(-1)) from pyrolytic reaction. Mossbauer parameters
}, keywords = {Antiferromagnetic exchange, Bioinorganic chemistry, DNA cleavage, iron, Nuclease activity, PAP(ox) analogues}, issn = {0376-4710}, author = {Waghmode, Shobha A. and Date, Sadgopal K. and Gupta, Vidya S. and Rane, Sandhya Y.} } @article { ISI:000278230700005, title = {Studies of antimicrobial activity of turmeric (Curcuma Longa L.) leaves and rhizomes collected during plant growth phases}, journal = {Research Journal of Biotechnology}, volume = {5}, number = {2}, year = {2010}, month = {MAY}, pages = {24-28}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {
Turmeric is the processed underground rhizome used as spice, herbal medicines, dying agent and cosmetics. The leaves and rhizomes of this plant were collected at periodic intervals. These samples were air dried, powdered and extracted with MeOH and EtOH. Antibacterial activity of these extracts was determined against three different index microbes, gram-positive cocci, gram-negative rod and cocci using well diffusion method with appropriate controls. Antimicrobial activity of the 4-month-old leaves was found to be the maximum while that of mature and fresh rhizomes was the maximum against both gram-positive and Gram-negative bacteria.
}, keywords = {antibacterial activity, Curcuma longa, Leaf extract, Minimum inhibitory concentration, rhizome extract}, issn = {0973-6263}, author = {Shirgurkar, M. V. and Thengane, Shubhada Ratnakar} } @article { ISI:000274398400016, title = {Studies of penicillin G acylase immobilization using highly porous cellulose-based polymeric membrane}, journal = {Applied Biochemistry and Biotechnology}, volume = {160}, number = {4}, year = {2010}, month = {FEB}, pages = {1130-1145}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
The different ionic molecules/compounds were used as a ligand for the immobilization of penicillin G acylase on the highly porous cellulose-based polymeric membrane having buffer flux 1,746 LMH (L m(-2) h(-1)) at 0.5 bar pressure. The immobilized enzyme activity around 250 U-App was obtained with the ligand such as proline, tryptophan, casein acid hydrolysate, and brilliant green. Comparatively, proline showed less IMY\% (percentage immobilization yield-58) but higher RTA\% (percentage of activity retention-71) and specific activity (145 U-App g(-1)). However, the crosslinked preparation of brilliant green obtained using glutaraldehyde showed 82 +/- 2.7\% immobilized enzyme activity after the completion of successive five cycles. In comparison with the free enzyme, the enzyme immobilized on the brilliant green coupled membrane showed around 2.4-fold increase in K-m value (47.4 mM) as well as similar optimum pH (7.2) and temperature (40 degrees C). The immobilized enzyme retained almost 50\% activity after 107 days and 50 cycles of operation. Almost 50\% decrease in buffer flux after enzyme immobilization was observed. At the end of the 30 cycles, flux pattern shows around 38\% decrease in buffer flux however, after 16 cycles of operation flux moves closer towards the steady state.
}, keywords = {Brilliant green, Immobilization, Penicillin G acylase, Polymeric membrane, Proline}, issn = {0273-2289}, doi = {10.1007/s12010-009-8686-9}, author = {Adikane, H. V. and Thakar, D. M.} } @article { ISI:000283745300023, title = {Study of the effect of plasma-striking atmosphere on Fe-oxidation in thermal dc arc-plasma processing}, journal = {Journal of Vacuum Science \& Technology A}, volume = {28}, number = {6}, year = {2010}, month = {NOV}, pages = {1399-1403}, publisher = {A V S AMER INST PHYSICS}, address = {STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA}, abstract = {
The effect of plasma-striking atmosphere: air and air+Ar-gas on the crystallization of Fe-oxide phases was studied using dc thermal arc-plasma processing route. The powders were characterized by x-ray diffraction, vibrating sample magnetometry, transmission electron microscopy, and Mossbauer spectroscopy techniques. At room temperature and O(2) rich atmosphere, arc-evaporated Fe(2+) ions oxidize into either gamma-Fe(2)O(3) or Fe(3)O(4) depending upon the combining ratio of Fe with molecular O(2). Fe/O ratio could be adjusted using proper flow rate of Ar gas to crystallize the pure gamma-Fe(2)O(3). (C) 2010 American Vacuum Society. [DOI: 10.1116/1.3504597]
}, issn = {0734-2101}, doi = {10.1116/1.3504597}, author = {Banerjee, Indrani and Khollam, Y. B. and Mahapatra, S. K. and Das, A. K. and Bhoraskar, S. V.} } @article { ISI:000281347500022, title = {Surface texture and specific adsorption sites of sol-gel synthesized anatase TiO2 nanoparticles}, journal = {Materials Research Bulletin}, volume = {45}, number = {10}, year = {2010}, month = {OCT}, pages = {1470-1475}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The surface properties of sot-gel synthesized anatase titania (TiO2) nanoparticles are probed by sorptiometry, infrared absorption spectroscopy, UV-vis diffuse reflectance spectroscopy and high resolution transmission electron microscopy. The results reveal strong correlations of the surface area, porosity, pyridine adsorption capacity and strength, and catalytic methylbutynol decomposition activity. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Catalytic properties, Nanostructures, Oxides, Sol-gel chemistry, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2010.06.026}, author = {Zaki, Mohamed I. and Mekhemer, Gamal A. H. and Fouad, Nasr E. and Jagadale, Tushar C. and Ogale, Satishchandra B.} } @article { ISI:000276492300024, title = {Switching of hydrophilic to ultra hydrophilic properties of flower-like gold nanostructures}, journal = {Applied Surface Science}, volume = {256}, number = {13}, year = {2010}, month = {APR}, pages = {4192-4195}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Flower-like morphologies of gold nanostructures were obtained via chemical method by controlling molar concentration ratio of reducing agent and precursor. Chloroauric acid was used as a metal precursor while tri-sodium citrate as the reducing agent. These flower-like structures were characterized by UV-vis spectroscopy, Scanning Electron Microscopy (SEM) and X-ray Diffraction (XRD) techniques. The basic crystallite size calculated via XRD measurement was found to be similar to 10 nm and remain unaffected by the different concentration ratios. The coating of these structures was made over clean glass substrate and analyzed for wettability by measuring their water contact angles. Our analysis indicates that the coatings of hierarchical flower-like structures of gold are able to provide ultra hydrophilic properties to glass substrate. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Gold flower-like nanostructures, Ultra hydrophilic, Wettability}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2010.01.123}, author = {Dhumale, Vinayak A. and Shah, Preeti V. and Mulla, Imtiaz S. and Sharma, R. B.} } @article { ISI:000278592200024, title = {Syntheses, characterisation and vapour pressure of metallo-organic titanium precursor for MOCVD applications}, journal = {Inorganica Chimica Acta}, volume = {363}, number = {10}, year = {2010}, month = {JUN}, pages = {2243-2249}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Metallo-organic complexes of titanium such as [Ti(bzac)(2)(O(i)Pr)(2)] (1) and [Ti(bzac)(2)en(O(i)Pr)(2)] (2) were synthesised using 1-phenyl-1,3-butanedione (bzac) and the Schiff{\textquoteright}s base ligand N, N0-ethylene-bis(1-phenyl-1,3-butanediimine) [(bzac)(2)en]. A novel ligand 1-phenyl-3-N-(2-hydroxy-2-methylethylimino)-1-butanone (bzac1a2pol, 3) synthesised by condensing benzoylacetone (bzac) with 1-amino-2-propanol (1a2pol) was used in the synthesis of the complex bis(1-phenyl-3-N-(2-hydroxy-2-methylethylimino)-1-butanoato)titanium (IV), [Ti(bzac1a2pol)(2), 4]. These complexes were synthesised by replacing the isopropoxy group (O(i)Pr) of titanium tetra-isopropoxide, Ti(O(i)Pr)(4) by the appropriate ligands. Complexes 1, 2 and 4 were characterised for their volatility/thermal stability using TG/DTA and complex 4 was found to be volatile giving a residue of similar to 5.0\% (TG) at 377 degrees C and similar to 3.0\% (reduced pressure, 1 mbar) at 285 degrees C. Ligand 3 and its Ti complex 4 were characterised by (1)H NMR, (13)C NMR, elemental analysis, mass spectrometry and single crystal XRD. A value of 164.2 +/- 5.2 kJ mol(-1) for the standard enthalpy of sublimation (Delta H(sub)(0)) was evaluated for 4 from its vapour pressure. (C) 2010 Elsevier B. V. All rights reserved.
}, keywords = {MOCVD, Single crystal, Syntheses, Ti complexes, Vapour pressures, Volatile complexes}, issn = {0020-1693}, doi = {10.1016/j.ica.2010.03.033}, author = {Arockiasamy, S. and Manoj, Kochunnoonny and Bhadbhade, Mohan M. and Mallika, C. and Nagaraja, K. S.} } @article { ISI:000278319300033, title = {Synthesis and biodegradation studies of new copolymers based on sucrose derivatives and styrene}, journal = {European Polymer Journal}, volume = {46}, number = {5}, year = {2010}, month = {MAY}, pages = {1151-1157}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Novel unsaturated esters of sucrose were synthesised directly and in good yields from sucrose using a simple, mild, and selective Mitsunobu procedure. These regioisomerically pure vinyl sugars have been copolymerised with styrene by a free radical process, yielding unbranched linear polymer materials with pendant sucrose moieties. Their physical properties indicate that these polymers have potential technological relevance as amphiphilic and biodegradable materials. Biodegradation tests on the copolymer samples by a fungal (Aspergillus niger) culture method showed a fungal growth \>= 60\%, indicating good biodegradability and that the copolymers were partiallybio-assimilated during microbial attack. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Biodegradable copolymers, Biodegradation culture test, free radical copolymerization, Vinyl sucrose ester monomers}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2010.02.002}, author = {Barros, M. Teresa and Petrova, Krasimira T. and Singh, Raj P.} } @article { ISI:000278626400054, title = {Synthesis and biological evaluation of new 2-chloro-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)quinoline derivatives via click chemistry approach}, journal = {European Journal of Medicinal Chemistry}, volume = {45}, number = {7}, year = {2010}, month = {JUL}, pages = {3142-3146}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
Synthesis of new 2-chloro-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)quinoline derivatives (4a-h) using 1,3-dipolar cycloaddition (click chemistry) reaction of 3-(azidomethyl)-2-chloro-quinoline derivatives (3a-h) with phenyl acetylene in the presence of Cu(I) catalyst has been achieved in very high yield. These molecules were evaluated in vitro for their antifungal and antibacterial activity. Most of the compounds exhibited significant antifungal and antibacterial activity against all the tested strains. (C) 2010 Elsevier Masson SAS. All rights reserved.
}, keywords = {1, 2, 2-Chloro3-formyl quinoline, 3-Triazole, Antibacterial, antifungal, Click chemistry}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2010.04.002}, author = {Kategaonkar, Amol H. and Shinde, Pravin V. and Kategaonkar, Atul H. and Pasale, Sharad K. and Shingate, Bapurao B. and Shingare, Murlidhar S.} } @article { ISI:000281369500037, title = {Synthesis and characterization of aromatic polyazomethines bearing pendant pentadecyl chains}, journal = {Polymer Degradation and Stability}, volume = {95}, number = {9}, year = {2010}, month = {SEP}, pages = {1727-1735}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Aromatic diamine monomer viz., 4-(4{\textquoteright}-aminophenoxy)-2-pentadecylbenzenamine containing pendant pentadecyl chain was synthesized starting from cashew nut shell liquid - a renewable resource material and was characterized by FTIR, (1)H and (13)C NMR spectroscopy. A series of new (co) polyazomethines containing pendant pentadecyl chains and flexibilizing ether linkages was synthesized by polycondensation of 4-(4{\textquoteright}-aminophenoxy)-2-pentadecyl benzenamine with commercially available aromatic dialdehydes viz., terephthaldehyde (TPA), isophthaldehyde (IPA) and varying mixture of TPA and IPA. Inherent viscosities and number average molecular weights of (co) polyazomethines were in the range 0.50-0.70 dL/g and 10,490-40-800 (GPC, polystyrene standard), respectively indicating formation of medium to reasonably high molecular weight polymers. (Co) polyazomethines containing pendant pentadecyl chains were found to be soluble in common organic solvents such as chloroform, dichloromethane, tetrahydrofuran, pyridine, m-cresol and could be cast into transparent and stretchable films from their solution in chloroform. (Co) polyazomethines were essentially amorphous in nature and the formation of loosely-developed layered structure was observed arising from the packing of pendant pentadecyl chains. Polyazomethines exhibited glass transition temperatures (T(g)) in the range 21-48 degrees C. The observed depression of glass transition temperature could be ascribed to the {\textquoteleft}{\textquoteleft}internal plasticization{\textquoteright}{\textquoteright} effect of pentadecyl chains. The temperature at 10\% wt loss (T(10)), determined from TGA in nitrogen atmosphere of polyazomethines were in the range 434-441 degrees C indicating their good thermal stability. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Cashew nut shell liquid, CNSL, pentadecyl, polyazomethines, renewable, Side-chain, solubility}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2010.05.017}, author = {More, Arvind S. and Sane, Prakash S. and Patil, Anandrao S. and Wadgaonkar, Prakash P.} } @article { ISI:000278744500055, title = {Synthesis and characterization of nanocrystalline zinc substituted nickel ferrites}, journal = {Journal of Alloys and Compounds}, volume = {496}, number = {1-2}, year = {2010}, month = {APR}, pages = {256-260}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Nanocrystalline zinc substituted nickel ferrites, Ni(1-x)Zn(x)Fe(2)O(4) (0.0 \<= x \<= 1.0) have been prepared by citrate gel auto-combustion method. The effect of zinc ion content on structural, electrical transport and magnetic properties has been studied. The X-ray diffraction (XRD) pattern revealed that, all the compositions possess single-phase spinel structure. The nano-sized grain structure formation was confirmed by transmission electron microscopy (TEM). The dc electrical resistivity shows the samples are semiconducting in nature. The magnetic measurements showed that the composition Ni(0.6)Zn(0.4)Fe(2)O(4) has maximum saturation magnetization (M(s)) while high coersivity (Hc) for ZnFe(2)O(4). Thermoelectric power measurement study showed that the compounds, with x \<= 0.4 are p-type and for x \> 0.4 behaves n-type conduction mechanism. (C) 2010 Published by Elsevier B.V.
}, keywords = {Electron microscopy, Magnetic, Sintering, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2010.01.009}, author = {Hankare, P. P. and Sankpal, U. B. and Patil, R. P. and Mulla, Imtiaz S. and Sasikala, R. and Tripathi, A. K. and Garadkar, K. M.} } @article { ISI:000276790500011, title = {Synthesis and characterization of new aromatic polyesters containing cardo decahydronaphthalene groups}, journal = {European Polymer Journal}, volume = {46}, number = {4}, year = {2010}, month = {APR}, pages = {709-718}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Three cardo bisphenols containing decahydronaphthalene group viz., 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene)bisphenol, 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene)bis-3-methylphenol and 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene)bis-3,5-dimethylphenol were synthesized starting from commercially available 2-naphthol and were utilized for synthesis of new aromatic polyesters by phase transfer-catalyzed interfacial polycondensation with isophthaloyl chloride, terephthaloyl chloride and a mixture of isophthaloyl chloride and terephthaloyl chloride (50:50 mol \%). Inherent viscosities and number average molecular weights (M(n)) of polyesters were in the range 0.35-0.84 dL/g and 13300-48,500 (Gel Permeation Chromatography, polystyrene standard), respectively. Polyesters were readily soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, meta-cresol, pyridine, N,N-dimethylformamide, N,N-dimethylacetamide, and 1-methy1-2-pyrrolidinone at room temperature and could be cast into tough, transparent and flexible films from their chloroform solutions. Wide-angle X-ray diffraction measurements revealed the amorphous nature of polyesters. The glass transition temperature of polyesters was in the range 207-287 degrees C. The temperature at 10\% weight loss (T(10)), determined from thermogravimetric analysis of polyesters, was in the range 425-460 degrees C indicating their good thermal stability. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {bisphenol, Cardo, Decahydronaphthalene, polyester, Structure-property relationship}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2009.12.028}, author = {Honkhambe, Pandurang N. and Bhairamadgi, Nagendra S. and Biyani, Mahesh V. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000279996500008, title = {Synthesis and characterization of new aromatic polyesters containing pendent naphthyl units}, journal = {Journal of Applied Polymer Science}, volume = {117}, number = {5}, year = {2010}, month = {SEP}, pages = {2545-2552}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {
Two bisphenols, viz., 4,4{\textquoteright}-[1-(2-naphthaleny-1)ethylidene]bisphenol and 4,4{\textquoteright}-[1-(2-naphthalenyl) ethylidene]bis-3-methylphenol were prepared by condensation of commercially available 2-acetonaphthanone with phenol and o-cresol, respectively. A series of new aromatic polyesters containing pendent naphthyl units was synthesized by phase-transfer-catalyzed interfacial polycondensation of these bisphenols with isophthaloyl chloride, terephthaloyl chloride, and a mixture of isophthaloyl chlorideiterephthaloyl chloride (50 : 50 mol \%). Inherent viscosities of polyesters were in the range 0.83-1.76 dL g(-1), while number average molecular weights (M(n)) were in the range 61,000-235,000 g mol(-1). Polyesters were readily soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, m-cresol, pyridine, N,N-dimethylformamide, N,N-dimethylacetarnide, and 1-methyl-2-pyrrolidinone at room temperature. Tough, transparent, and flexible films were cast from a solution of polyesters in chloroform. X-Ray diffraction measurements displayed a broad halo at 20 congruent to 19 degrees indicating the amorphous nature of polyesters. Glass transition temperatures of polyesters were in the range 209-259 degrees C. The temperature at 10\% weight loss (T(10)), determined by TGA in nitrogen atmosphere, of polyesters was in the range 435-500 degrees C indicating their good thermal stability. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 117: 2545-2552, 2010
}, keywords = {Aromatic polyesters, bisphenol, interfacial polycondensation, pendent naphthyl units}, issn = {0021-8995}, doi = {10.1002/app.32162}, author = {Honkhambe, Pandurang N. and Biyani, Mahesh V. and Bhairamadgi, Nagendra S. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000274839100053, title = {Synthesis and characterization of nickel selenide thin films deposited by chemical method}, journal = {Journal of Alloys and Compounds}, volume = {490}, number = {1-2}, year = {2010}, month = {FEB}, pages = {228-231}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Nickel selenide thin films have been deposited using chemical bath method on non-conducting glass substrates in a tartarate bath containing nickel sulphate octahydrate, hydrazine hydrate, sodium seleno-sulphate in an aqueous alkaline medium. The grown films were uniform, well adherent and black in color. The films were characterized using X-ray diffraction, scanning electron microscopy, optical absorption and electrical measurements. The nickel selenide thin film revealed polycrystalline nature with hexagonal system. The direct optical band gap of the film was found to be 1.61 eV. Electrical resistivity of film was observed in the order of 10(3) (Omega cm) with p-type conduction mechanism. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Crystal growth, Semiconductors, Thin films, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.09.132}, author = {Hankare, P. P. and Jadhav, B. V. and Garadkar, K. M. and Chate, P. A. and Mulla, Imtiaz S. and Delekar, S. D.} } @article { ISI:000278307300018, title = {Synthesis and characterization of novel aromatic-aliphatic polyamides from bis-[(4-aminobenzyl)-4-benzamide] ether}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {111-116}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A novel aromatic diamine monomer containing preformed aromatic-aliphatic amide and ether linkage, bis-[(4-aminobenzyl)-4-benzamide] ether (BABE) was prepared from 2-phenylacetonitrile. BABE was characterized by FT-IR, (1)H NMR, (13)C NMR and mass spectrometry. Five new aromatic polyamides were prepared by low temperature solution polymerization from BABE and different mole proportions of isophthaloyl chloride (IPC) or terephthaloyl chloride (TPC). The resulting polymers were characterized by means of FT-IR, inherent viscosity [eta(inh)], solubility, differential scanning calorimetry [DSC], thermogravimetric analysis [TGA] and X-ray diffraction [XRD]. Polyamides were obtained in good yields and had moderate to high molecular weights as indicated by inherent viscosities in the range 0.63-1.35 dL/g in (DMAc + 4\% LiCl). XRD results showed the partly crystalline nature of polymers and these polymers dissolved in aprotic polar solvents containing LiCl. The solubility of copolyamides improved due to random placement of constituent IPC and TPC during polymerization. DSC analysis of these polyamides showed glass transition temperatures in the range of 197-204 degrees C, and they showed no weight loss below 336 degrees C when analyzed by TG. These polyamides have potential applications as engineering materials. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Bis-[(4-aminobenzyl)-4-benzamide] ether, ether linkage, Inherent viscosity, polyamides, thermal stability, XRD}, issn = {0921-5107}, doi = {10.1016/j.mseb.2009.10.016}, author = {Patil, A. S. and Medhi, M. and Sadavarte, Nilakshi V. and Wadgaonkar, P. P. and Maldar, Noormahamad N.} } @article {43153, title = {Synthesis and characterization of novel value added biodegradable poly(aleuritic acid) from renewable resources (shellac) and invertible amphiphilic behaviors in various solvents}, journal = {E-Polymers}, year = {2010}, month = {NOV}, abstract = {A novel biodegradable polymer poly(aleuritic acid) (PAA) ((M) over barw - 120,000) was prepared from aleuritic acid, which was obtained from renewable resources (Lac) by using tin catalyst. Aleuritic acid (AL) was protected at 9, 10 position by dimethoxy propane. The protected AL (Pro.AL) was further polymerized to obtain linear protected polyaleuritic acid (PAL) by dehydropolycondensation. Effects of various kinetic and thermodynamic parameters were studied. After polymerization, the deprotection of PAL was carried out. The synthesized PAL and PAA were characterized by using various techniques such as FT-IR, LC-MS, SEC, NMR (H-1 and C-13), C-13 CP/MAS (Cross Polarization / Magic Angle Spinning) of solid PAA, DSC, SEM and TEM etc. The micelle and inverted micelle -structure in polar and nonpolar solvents are highlighted.} } @article {42651, title = {Synthesis and characterization of novel value added biodegradable poly(aleuritic acid) from renewable resources(shellac) and invertible amphiphilic behaviors in various solvents}, journal = {E-Polymer}, year = {2010}, month = {NOV}, pages = {Article Number: 131}, abstract = {
A novel biodegradable polymer poly(aleuritic acid) (PAA) ( M̄w 120,000) was prepared from aleuritic acid, which was obtained from renewable resources (Lac) by using tin catalyst. Aleuritic acid (AL) was protected at 9, 10 position by dimethoxy propane. The protected AL (Pro.AL) was further polymerized to obtain linear protected polyaleuritic acid (PAL) by dehydropolycondensation. Effects of various kinetic and thermodynamic parameters were studied. After polymerization, the deprotection of PAL was carried out. The synthesized PAL and PAA were characterized by using various techniques such as FT-IR, LC-MS, SEC, NMR (1H and 13C), 13C CP/MAS (Cross Polarization / Magic Angle Spinning) of solid PAA, DSC, SEM and TEM etc. The micelle and inverted micelle -structure in polar and nonpolar solvents are highlighted
}, doi = {10.1515/epoly.2010.10.1.1476}, author = {Pandey, Asutosh K. and Nande, Smita S. and Selukar, Balaji S. and Garnaik, Baijayantimala} } @article { ISI:000276284200019, title = {Synthesis and characterization of polyamides containing pendant pentadecyl chains}, journal = {European Polymer Journal}, volume = {46}, number = {3}, year = {2010}, month = {MAR}, pages = {557-567}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A new aromatic diacid monomer viz., 4-(4{\textquoteright}-carboxyphenoxy)-2-pentadecylbenzoic acid was synthesized starting from cardanol and was characterized by FTIR, (1)H- and (13)C NMR spectroscopy. A series of new aromatic polyamides containing ether linkages and pendant pentadecyl chains was prepared by phosphorylation polycondensation of 4-(4{\textquoteright}-carboxyphenoxy)-2-pentadecylbenzoic acid with five commercially available aromatic diamines viz., 1,4-phenylenediamine, 4,4{\textquoteright}-oxydianiline, 4,4{\textquoteright}-methylenedianiline, 1,3-phenylenediamine, and 4,4{\textquoteright}-(hexafluoroisopropylidene)dianiline. Inherent viscosities of the polyamides were in the range 0.45-0.66 dL/g in N,N-dimethylacetamide at 30 +/- 0.1 degrees C. The introduction of ether linkages and pendant pentadecyl chains into polyamides led to an enhanced solubility in N,N-dimethylacetamide and 1-methyl-2-pyrrolidinone at room temperature or upon heating. The polyamides could be solution-cast into tough, flexible and transparent films from their N,N-dimethylacetamide solution. Wide angle X-ray diffraction patterns exhibited broad halo indicating that the polymers were essentially amorphous in nature. X-Ray diffractograms also displayed a diffuse to sharp reflection in the small-angle region (20 = similar to 2-5 degrees) for the polyamides characteristics of formation of loosely to well-developed layered structure arising from packing of flexible pentadecyl chains. The glass transition temperature observed for the polyamides was in range 139-189 degrees C. The temperature at 10\% weight loss (T(10)), determined by TGA in nitrogen atmosphere, of the polyamides was in the range 425-453 degrees C indicating their good thermal stability. (C) 2009 Elsevier Ltd. All rights reserved.
}, keywords = {alkyl side-chain, Cardanol, Cashew nut shell liquid, Pentadecyl chains, polyamides}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2009.11.014}, author = {More, Arvind S. and Pasale, Sharad K. and Wadgaonkar, Prakash P.} } @article { ISI:000283103300014, title = {Synthesis and characterization of polyesters based on 1,1,1-[bis(4-hydroxyphenyl)-4 {\textquoteleft}-pentadecylphenyl]ethane}, journal = {Polymer International}, volume = {59}, number = {10}, year = {2010}, month = {OCT}, pages = {1408-1414}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
Aromatic polyesters are of considerable interest because of their excellent mechanical properties, chemical resistance and thermal stability. However, most aromatic polyesters are difficult to process due to their high glass transition temperatures coupled with their insolubility in common organic solvents. The present article describes a series of organosoluble polyesters and copolyesters based on 1,1,1-[bis(4-hydroxyphenyl)-4{\textquoteright}-pentadecylphenyl]ethane. A series of new aromatic polyesters containing pendant pentadecyl chains was synthesized by interfacial polycondensation of 1,1,1-[bis(4-hydroxyphenyl)-4{\textquoteright}-pentadecylphenyl]ethane with terephthalic acid chloride (TPC), isophthalic acid chloride (IPC) and a mixture of TPC and IPC. A series of copolyesters was synthesized from 4,4{\textquoteright}-isopropylidenediphenol with TPC by incorporating 1,1,1-[bis(4-hydroxyphenyl)-4{\textquoteright}-pentadecylphenyl]ethane as a comonomer. Inherent viscosities of the polyesters and copolyesters were in the range 0.72-1.65 dL g(-1) and number-average molecular weights were in the range 18 170-87 220. The polyesters and copolyesters containing pendant pentadecyl chains dissolved readily in organic solvents such as chloroform, dichloromethane, pyridine and m-cresol and could be cast into transparent, flexible and apparently tough films. Wide-angle X-ray diffraction data revealed the amorphous nature of the polyesters and copolyesters. The formation of loosely developed layered structure was observed due to the packing of pendant pentadecyl chains. The temperature at 10\% weight loss, determined using thermogravimetric analysis in nitrogen atmosphere, of the polyesters and copolyesters containing pendant pentadecyl chains was in the range 400-460 degrees C. The polyesters and copolyesters exhibited glass transition temperatures in the range 63-82 degrees C and 177-183 degrees C, respectively. (C) 2010 Society of Chemical Industry
}, keywords = {cashew nutshell liquid, CNSL, pentadecyl, polyesters, renewable}, issn = {0959-8103}, doi = {10.1002/pi.2883}, author = {More, Arvind S. and Naik, Parimal V. and Kumbhar, Kishor P. and Wadgaonkar, Prakash P.} } @article { ISI:000278307300032, title = {Synthesis and characterization of polyesters from 2,3-bis (4 {\textquoteleft}-hydroxy phenyl) quinoxaline and 2,3-bis (2 {\textquoteleft}-hydroxynaphthalene-6 {\textquoteleft}-yl) quinoxaline}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {186-192}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Two bisphenols containing pendant, quinoxaline moiety; 2,3-bis (4{\textquoteright}-hydroxy phenyl) quinoxaline (BHPQ) and 2,3-bis (2{\textquoteright}-hydroxynaphthalene-6-yl) quinoxaline (BHNQ) were synthesized and characterized by FT-IR, (1)H, (13)C NMR and mass spectrometry. Aromatic polyesters and copolyesters were prepared by interfacial polymerization from BHPQ or BHNQ and isophthaloyl chloride or terephthaloyl chloride or a mixture of different mole proportions of (IPC + TPC). These polyesters and copolyesters were characterized by spectroscopic technique, viscosity measurement, solubility, thermal stability. DSC and XRD. Polymers had moderate to high molecular weights as evidenced by the inherent viscosities in the range 0.35-0.78 dL/g for BHPQ series and 0.27-0.52 dL/g for BHNQ series. BHPQ polyesters and copolyesters dissolved in m-cresol, NMP and conc. H(2)SO(4) whereas, BHNQ polyesters and copolyesters were readily soluble in NMP, DMAc, (TCE + phenol) and partly soluble in solvent like CHCl(3), pyridine, etc. Wide angle X-ray diffraction (WAXD) results showed that introduction of quinoxaline moiety into polymer chain and aromatic phenyl/rigid naphthyl structures lead to crystalinity. Differentional scanning calorimetry of BHNQ polyesters showed the glass transition temperatures in the range of 131-151 degrees C. BHPQ polyesters did not show any weight loss below 330 degrees C and retained 27-55\% weight at 900 degrees C when investigated by TGA under nitrogen atmosphere demonstrating good thermal stability BHNQderived polyesters showed initial decomposition temperatures in range 211-234 degrees C. The structure-property relationships for the mentioned polyesters are analyzed, as these polyesters are of interest as materials for electronics, microelectronics and membrane separation. (C) 2009 Elsevier B.V. All rights reserved.
}, keywords = {2, 3-Bis (2 {\textquoteleft}-hydroxynaphthalene-6 {\textquoteleft}-yl) quinoxaline, 3-Bis (4 {\textquoteleft}-hydroxy phenyl) quinoxaline, Aromatic polyesters, Glass transition temperature, solubility, Thermal properties}, issn = {0921-5107}, doi = {10.1016/j.mseb.2009.12.036}, author = {Patil, V. B. and Medhi, M. and Bhairamadgi, Nagendra S. and Wadgaonkar, P. P. and Maldar, Noormahamad N.} } @article { ISI:000276562300063, title = {Synthesis and characterization of poly-L-lysine-grafted silica nanoparticles synthesized via NCA polymerization and click chemistry}, journal = {Langmuir}, volume = {26}, number = {8}, year = {2010}, month = {APR}, pages = {5772-5781}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Polypeptide polymer-grafted silica nanoparticles are of considerable interest because the ordered secondary structure of the polypeptide grafts imparts novel functional properties onto the nanoparticle composite. The synthesis of poly-L-lysine-grafted nanoparticles would be of particular interest because the high density of cationic charges on the surface could lead to many applications such as gene delivery and antimicrobial agents. In this work, we have developed a {\textquoteleft}{\textquoteleft}grafting-to{\textquoteright}{\textquoteright} approach using a combination of NCA polymerization and {\textquoteleft}{\textquoteleft}click chemistry{\textquoteright}{\textquoteright} to synthesize poly-L-lysine-grafted silica nanoparticles with a high graft density of 1 chain/nm(2). The covalent attachment of poly-L-lysine to silica nanoparticles (PLL-silica) was confirmed using a variety of techniques such as C-13 CP MAS NMR, TGA, and IR. This methodology was then extended to graft poly-L-lysine-b-poly-L-leucine copolymer (PLL-b-PLLeu-silica) and poly-L-benzylglutamate (PLUG silica) onto silica nanoparticles. All of these polypeptide-grafted nanoparticles show interesting aggregation properties in solution. The efficacy of PLL-silica and PLL-h-PLLeu-silica as antimicrobial agents was tested on both gram-negative B. cull and grain-positive Bacillus subtilis.
}, issn = {0743-7463}, doi = {10.1021/la903595x}, author = {Kar, Mrityunjov and Vijayakumar, P. S. and Bhagavatula L. V. Prasad and Sen Gupta, Sayam} } @article { ISI:000279836400026, title = {Synthesis and characterization of polyurethane-grafted single-walled carbon nanotubes via click chemistry}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {10}, number = {9}, year = {2010}, month = {SEP}, pages = {5700-5707}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Polyurethane (PU)-grafted carbon nanotubes were synthesized by the coupling of alkyne moiety decorated single walled carbon nanotube (SWCNT) with azide moiety containing PU using Cu(I) catalyzed Huisgen [3 + 2] cycloaddition click chemistry. The azide moiety containing poly(E-caprolactone)diol was synthesized by ring-opening polymerization and further used for PU synthesis. Alkyne-functionalizion of SWCNT was completed by the reaction of p-aminophenyl propargyl ether with SWCNT using a solvent free diazotization procedure. Nuclear magnetic resonance, Fourier transform infrared, and Raman spectroscopic measurements confirmed the functionalization of SWCNT. Scanning electron microscopy and transmission electron microscopy images showed an excellent dispersion of SWCNTs, and specially debundling of SWCNTs could be observed due to polymer assisted dispersion. A quantitative grafting was successfully achieved even at high content of functional groups.
}, keywords = {Carbon nanotubes, Click chemistry, dispersion, polyurethane}, issn = {1533-4880}, doi = {10.1166/jnn.2010.2434}, author = {Rana, Sravendra and Cho, Jae Whan and Kumar, Indresh} } @article { ISI:000273175100013, title = {Synthesis and corrosion protection aspects of poly(o-toluidine)/CdO nanoparticle composite coatings on mild steel}, journal = {Journal of Coatings Technology and Research}, volume = {7}, number = {1}, year = {2010}, month = {JAN}, pages = {119-129}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
This study examines the possibility of using poly(o-toluidine)/CdO (POT-CdO) nanoparticle composite coating for corrosion protection of mild steel in chloride environment. The POT-CdO nanoparticle composite coating was synthesized on mild steel from aqueous tartrate solution containing CdO-nanoparticles (size similar to 18 nm) by using cyclic voltammetry. These coatings were characterized by cyclic voltammetry, UV-Visible absorption spectroscopy, Fourier transform infrared spectroscopy, scanning electron microscopy, and X-ray diffraction measurements. The corrosion protection aspects of the resulting POT-CdO nanocomposite structure were investigated in aqueous 3\% NaCl solution by potentiodynamic polarization technique and electrochemical impedance spectroscopy. The results of these investigations reveal that the POT-CdO nanoparticle composite acts as a protective coating on mild steel and reduces the corrosion rate of mild steel almost by factor of 70.
}, keywords = {CdO, Conducting polymer coatings, Corrosion resistant coatings, cyclic voltammetry, Electrochemical polymerization, Mild steel, Nanocomposites, Poly(o-toluidine)}, issn = {1547-0091}, doi = {10.1007/s11998-008-9160-2}, author = {Chaudhari, Sudeshna and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000277091700039, title = {Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)}, journal = {Crystengcomm}, volume = {12}, number = {5}, year = {2010}, month = {JAN}, pages = {1600-1609}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A series of fluorinated metal-organic frameworks (F-MOFs) have been successfully synthesized under hydrothermal condition using 4,40-(hexafluoroisopropylidene) bis(benzoic acid) (C(17)H(10)F(6)O(4), H(2)hfbba) as a flexible dicarboxylate building block, Cu(+2) and various heterocyclic co-ligands. These F-MOFs formulated as [Cu(hfbba)(phen)(2)]center dot 2(H(2)hfbba)(H(2)O)(HCO(2)) (F-MOF-1), [Cu(hfbba)(2)(2,2{\textquoteright}-bipy) 2(H(2)O)] (F-MOF-2), [Cu(hfbba)(4,4{\textquoteright}-dime-2,2{\textquoteright}-bipy)(HCO(2))]center dot(hfbba)(H(2)O) (F-MOF-3), [Cu(2)(hfbba)(2)(3-mepy)(2)]center dot(DMF) 2(3-mepy) (F-MOF-4), and [Cu(hfbba)(2)(phen)(2)]center dot 0.5(DMF) (F-MOF5) (hfbba = 4,4{\textquoteright}-(Hexafluoroisopropylidene) bis(benzoate), phen 1,1{\textquoteright}-phenanthroline; 2,2{\textquoteright}-bipy 2,2{\textquoteright}-bipyridine; 4,4{\textquoteright}dime-2,2{\textquoteright}-bipy 4,4{\textquoteright}-dimethyl 2,2{\textquoteright}-bipyridine; 3-mepy 3-methyl-pyridine and DMF dimethyl formamide) display interesting H-bonded, 1D and 2D structural features. All these F-MOFs were structurally determined by single-crystal X-ray diffraction. F-MOF-1 and 5 form a distorted octahedral Cu(+2) secondary building unit (SBU). F-MOF-5 forms a one-dimensional architecture constructed from Cu(2+) ions bridged by phen anions and two types of 4 hfbba ligands while in F-MOF-1, two among the three acid co-ligands are not coordinated with Cu(2+) ions. F-MOF-2 displays dinuclear SBUs within the three-dimensional frameworks whereas F-MOF-3 displays mononuclear SBUs and forms a one-dimensional chain. F-MOF-4 display a interesting 2D framework with conventional Cu(2)(CO(2))(4) paddle wheel SBU. In the crystal structures four hfbba ligands, each coordinated to a dicopper paddlewheel unit via one of their carboxylate groups. Solid-state properties such as UV-vis and thermal stability of F-MOF-1-5 have also been studied.
}, issn = {1466-8033}, doi = {10.1039/b917483d}, author = {Pachfule, Pradip and Dey, Chandan and Panda, Tamas and Banerjee, Rahul} } @article { ISI:000282663700004, title = {Synthesis of acrolein by gas-phase dehydration of glycerol over silica supported bronsted acidic ionic liquid catalysts}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {85}, number = {10}, year = {2010}, month = {OCT}, pages = {1319-1324}, publisher = {JOHN WILEY \& SONS LTD}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {
BACKGROUND: Glycerol has become readily available as a byproduct from the biodiesel industry. High functionality and relatively low price make it a potential building block to produce value-added derivatives such as acrolein. RESULTS: Dehydration of glycerol to acrolein was performed over several silica supported Bronsted acidic ionic liquids as catalysts. All the catalysts prepared were active for the synthesis of acrolein (conversion of glycerol was observed in the range 35-90\% with selectivity to acrolein in the range 29-58\%). CONCLUSIONS: Catalyst prepared from triphenyl (3-sulfopropyl) phosphonium 4-methylbenzenesulfonate gave good activity and selectivity at 4 h reaction time. The conversion of glycerol decreased with increase in glycerol concentration. Higher temperature (325 degrees C) resulted in significantly lower conversion as well as selectivity to acrolein. With the use of two additional traps cooled to -7 degrees C, the selectivity to acrolein increased significantly for good catalysts. (C) 2010 Society of Chemical Industry
}, keywords = {acidic ionic liquids, acrolein, glycerol dehydration, supported catalyst}, issn = {0268-2575}, doi = {10.1002/jctb.2434}, author = {Munshi, Mudassir K. and Lomate, Samadhan T. and Deshpande, Raj Madhukar and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000276909600011, title = {Synthesis of aculeatins A and B via iterative hydrolytic kinetic resolution}, journal = {Synthesis-Stuttgart}, number = {9}, year = {2010}, month = {MAY}, pages = {1479-1484}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A simple and concise approach for the synthesis of aculeatins A and B starting from (+/-)-epichlorohydrin is described. The synthetic strategy features Jacobsen{\textquoteright}s hydrolytic kinetic resolution and a Linchpin coupling as key steps.
}, keywords = {aculeatins, Epoxide, Hydrolytic kinetic resolution, Linchpin coupling, spirocyclization}, issn = {0039-7881}, doi = {10.1055/s-0029-1218687}, author = {Harbindu, Anand and Kumar, Pradeep} } @article { ISI:000276083200006, title = {Synthesis of azepane and nojirimycin iminosugars: the sharpless asymmetric epoxidation of D-glucose-derived allyl alcohol and highly regioselective epoxide ring opening using sodium azide}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {2}, year = {2010}, month = {FEB}, pages = {163-170}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The Sharp less asymmetric epoxidation of D-glucose-derived ally! alcohol 4 afforded alpha- and beta-epoxides 5a and 5b in high stereoselectivity. The epoxide ring opening in 5a/5b was studied with different nucleophilic azido reagents, under various reaction conditions, and was found to be highly regioselective to give the preferential formation of 6-azido diol 6a/6b over 5-azido-diol 7a/7b. The 6-azido diol 6a/6b and 5-azido dial 7a/7b thus obtained were converted to the corresponding seven- and six-membered iminosugar, namely, azepane 1a/1b and 1-deoxy-nojirimycin 2a/2b. (C) 2010 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.01.007}, author = {Jadhav, Vrushali H. and Bande, Omprakash P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000283124800028, title = {Synthesis of bio-compatible SPION-based aqueous ferrofluids and evaluation of radiofrequency power loss for magnetic hyperthermia}, journal = {Nanoscale Research Letters}, volume = {5}, number = {10}, year = {2010}, month = {OCT}, pages = {1706-1711}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Bio-compatible magnetic fluids having high saturation magnetization find immense applications in various biomedical fields. Aqueous ferrofluids of superparamagnetic iron oxide nanoparticles with narrow size distribution, high shelf life and good stability is realized by controlled chemical co-precipitation process. The crystal structure is verified by X-ray diffraction technique. Particle sizes are evaluated by employing Transmission electron microscopy. Room temperature and low-temperature magnetic measurements were carried out with Superconducting Quantum Interference Device. The fluid exhibits good magnetic response even at very high dilution (6.28 mg/cc). This is an advantage for biomedical applications, since only a small amount of iron is to be metabolised by body organs. Magnetic field induced transmission measurements carried out at photon energy of diode laser (670 nm) exhibited excellent linear dichroism. Based on the structural and magnetic measurements, the power loss for the magnetic nanoparticles under study is evaluated over a range of radiofrequencies.
}, keywords = {Magnetic heating, Magnetic hyperthermia, Magnetic relaxation, Power loss, Superparamagnetism}, issn = {1931-7573}, doi = {10.1007/s11671-010-9729-4}, author = {Mary, Antony P. Reena and Narayanan, T. N. and Sunny, Vijutha and Sakthikumar, D. and Yoshida, Yasuhiko and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000276490800006, title = {Synthesis of eight-membered iminocyclitols from D-glucose}, journal = {Tetrahedron}, volume = {66}, number = {15}, year = {2010}, month = {APR0}, pages = {2830-2834}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The Baylis-Hillman reaction of 3-o-benzyl-alpha-d-xylo-pentodialdo-1,4-furanose 2 afforded a diastereomeric mixture of L-ido- and D-gluco-configurated alpha-methylene-beta-hydroxy esters 3a and 3b, respectively, in 1:1 ratio. Conjugate addition of benzyl amine on 3a gave adduct 4a as a major product while, addition of benzyl amine to 3b gave only one diastereomer 4b. Reduction of ester functionality in 4a/4b, opening of 1,2-acetonide functionality followed by reductive amino-cyclization under hydrogenation condition afforded azocanes 1c/1d in good yield. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Baylis-Hillman reaction, Conjugate addition, diastereoselectivity, Iminosugars}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.02.044}, author = {Jadhav, Vrushali H. and Bande, Omprakash P. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000276957700010, title = {Synthesis of ethyl acetate by esterification of acetic acid with ethanol over a heteropolyacid on montmorillonite K10}, journal = {Journal of Natural Gas Chemistry}, volume = {19}, number = {2}, year = {2010}, month = {MAR}, pages = {161-164}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In present work, liquid phase esterification of acetic acid with ethanol over dodecatungestophosphoric acid (DTPA) supported on K10 mommorillonite was systematically studied and optimization of process parameters was carried out The 20\% m/m urpAtK tO was found to be the optimum catalyst with 90\% acetic acid conversion and 100\% ethyl acetate selectivity The study was also explored to see the feasibility of 20\% m/m DTPA/K10 as a catalyst for the alkylation of acetic acid with other alcohols like methanol, iso-propanol and sr-butanol. The 20\% m/m DTPA/K10 has shown increased activity with the increase in carbon number, at the same alcohol reflux The results are novel
}, keywords = {Acetic acid, Ethanol, ethyl acetate, Heteropolyacid, montmorillonite K10}, issn = {1003-9953}, doi = {10.1016/S1003-9953(09)60048-7}, author = {Gurav, Hanumant and Bokade, Vijay V.} } @article { ISI:000276804800005, title = {Synthesis of (-)-galantinic acid via iterative hydrolytic kinetic resolution and tethered aminohydroxylation}, journal = {Tetrahedron}, volume = {66}, number = {17}, year = {2010}, month = {APR}, pages = {3159-3164}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A new synthetic strategy for (-)-galantinic acid is reported using iterative hydrolytic kinetic resolution and tethered aminohydroxylation as the key steps. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {1, 2-Aminoalcohol, 3-Diol, Iterative hydrolytic kinetic resolution, selectivity, Tethered aminohydroxylation}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.02.093}, author = {Dubey, Abhishek and Kauloorkar, Shruti Vandana and Kumar, Pradeep} } @article { ISI:000276573700013, title = {Synthesis of hybrid 1,2,3-triazolo-delta-lactams/lactones using Huisgen [3+2] cycloaddition {\textquoteleft}click-chemistry{\textquoteright} in water}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {3}, year = {2010}, month = {MAR}, pages = {352-355}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The synthesis of a new class of hybrid 1,2,3-triazozlo-delta-lactams/lactones has been achieved using the Huisgen [3+2] dipolar cycloaddition {\textquoteleft}click-chemistry{\textquoteright} reaction of various organic azides with an activated alkyne in water, followed by cyclization. (C) 2010 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.02.002}, author = {Kumar, Indresh and Rana, Sravendra and Cho, Jae Whan and Rode, Chandrashekhar V.} } @article { ISI:000277119800027, title = {Synthesis of hydrophilic and amphiphilic acryl sucrose monomers and their copolymerisation with styrene, methylmethacrylate and alpha- and beta-pinenes}, journal = {International Journal of Molecular Sciences}, volume = {11}, number = {4}, year = {2010}, month = {APR}, pages = {1792-1807}, publisher = {MDPI AG}, address = {POSTFACH, CH-4005 BASEL, SWITZERLAND}, abstract = {
Herein, we report the synthesis of monomethacryloyl sucrose esters, and their successful free radical homo- and co-polymerisation with styrene, methylmethacrylate, alpha- and beta-pinene. The chemical, physical, structural and surface chemical properties of these polymers, containing a hydrophobic olefin backbone and hydrophilic sugar moieties as side chains, have been investigated. Biodegradation tests of the copolymer samples by a microbial fungal culture (Aspergillus niger) method showed good biodegradability. The chemical structure and surface chemistry of the synthesized homo- and co-polymers demonstrate their potential technological relevance as amphiphilic and biodegradable polymers.
}, keywords = {Biodegradable copolymers, Biodegradation culture test, free radical copolymerization, Vinyl sucrose ester monomers}, issn = {1422-0067}, doi = {10.3390/ijms11041792}, author = {Barros, Maria Teresa and Petrova, Krasimira T. and Singh, Raj P.} } @article { ISI:000278128500009, title = {Synthesis of optically pure 2,3,4-trisubstituted tetrahydrofurans via a two-step sequential Michael-Evans aldol cyclization strategy: total synthesis of (+)-magnolone}, journal = {Tetrahedron Letters}, volume = {51}, number = {22}, year = {2010}, month = {JUN}, pages = {2975-2978}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Synthesis of optically pure 2,3,4-trisubstituted tetrahydrofurans is described employing a two-step Michael-Evans aldol cyclization strategy. The approach is successfully applied for the total synthesis of furano lignan natural product (+)-magnolone. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {HWE reaction, Lignans, Magnolone, Michael-Evans aldol reaction, Tetrahydrofuran}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.03.111}, author = {Pandey, Ganesh and Luckorse, Srikanth and Budakoti, Asha and Puranik, Vedavati G.} } @article { ISI:000282106400009, title = {Synthesis of (R)-coniine and (S)-coinicine via organocatalytic alpha-aminoxylation of an aldehyde}, journal = {Synthesis-Stuttgart}, number = {18}, year = {2010}, month = {SEP}, pages = {3105-3112}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A short and efficient synthesis of the indolizidine alkaloid (S)-coinicine has been achieved using organocatalytic sequential alpha-aminoxylation and Horner-Wadsworth-Emmons olefination of an aldehyde catalyzed by L-proline. Similarly, a common organocatalytic alpha-aminoxylation route has been developed for the asymmetric synthesis of both (R)-coniine and (S)-coinicine.
}, keywords = {hemlock alkaloids, organocatalysis, Proline, sequential reactions, synthesis}, issn = {0039-7881}, doi = {10.1055/s-0030-1257869}, author = {Kondekar, Nagendra B. and Kumar, Pradeep} } @article { ISI:000280514500009, title = {Synthesis of Rh-carbon nanotube based heterostructures and their enhanced field emission characteristics}, journal = {Chemical Communications}, volume = {46}, number = {31}, year = {2010}, month = {JUL}, pages = {5671-5673}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Selective decoration of Rh nanospheres on acid functionalized carbon nanotubes has been demonstrated using Al as a sacrificial substrate. Remarkable field emission has been observed for this heterostructure as a high current density of 170 mu A cm(-2) is generated at an ultra-low threshold of 300 V mu m(-1), compared to much smaller values for Rh nanospheres and carbon nanotubes separately.
}, issn = {1359-7345}, doi = {10.1039/c0cc01532f}, author = {Sathe, Bhaskar R. and Kakade, Bhalchandra A. and Kushwaha, Ajay and Aslam, Mohammed and Pillai, Vijayamohanan K.} } @article { ISI:000275756700010, title = {Synthesis of the antibacterial benzoquinone primin and its water-soluble analogue, primin acid}, journal = {Synthesis-Stuttgart}, number = {7}, year = {2010}, month = {APR}, pages = {1141-1144}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
The biologically active natural product, primin and its water-soluble acid analogue, primin acid are prepared in 34\% and 25\% overall yields, respectively, from a common intermediate using a Grignard reaction and a Johnson-Claisen rearrangement as the key steps.
}, keywords = {1, 4-benzoquinones, Antibacterial, Johnson-Claisen rearrangement, primin, primin acid}, issn = {0039-7881}, doi = {10.1055/s-0029-1218666}, author = {Bhattacharya, Asish K. and Kaur, Tanpreet and Ganesh, Krishna N.} } @article { ISI:000279126700017, title = {Synthesis, resolution, and applications of 3-amino-2,2-dimethy1-1,3-diphenylpropan-1-ol, a conformationally restricted 1,3-aminoalcohol}, journal = {Tetrahedron}, volume = {66}, number = {27-28}, year = {2010}, month = {JUL}, pages = {5036-5041}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Efficient synthetic routes to both syn and anti diastereomers of a conformationally restricted 1,3-aminoalcohol were devised. Resolution of the aminoalcohols was accomplished through diastereomeric salt with R-(-)-O-acetyl mandelic acid. These aminoalcohols were examined as ligands for two standard reactions, namely, enantioselective addition of Et(2)Zn to aldehydes and reduction of prochiral ketones with BH(3). (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {1, 3-Aminoalcohol, Aldol-Tishchenko reaction, Diethylzinc, Oxazaborinane, Resolution}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.05.001}, author = {Patil, M. N. and Gonnade, Rajesh G. and Joshi, Navalkishore N.} } @article { ISI:000287801700007, title = {Synthetic studies of superstolide A: a carbohydrate based synthesis of the C21-C26 segment}, journal = {Letters in Organic Chemistry}, volume = {7}, number = {8}, year = {2010}, month = {DEC}, pages = {657-660}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
The synthesis of C21-C26 fragment of superstolide A, starting from D-glucose diacetonide, involving regioselective ring opening of epoxide by Grignard reagent and regioselective stereospecefic hydroboration oxidation has been described.
}, keywords = {Chiral pool, Potent cytotoxic, Regioselective epoxide opening, Stereoselective hydroboration-oxidation, Superstolide A}, issn = {1570-1786}, doi = {10.2174/157017810793811704}, author = {Pal, Rita and Rahaman, Hasibur and Mohapatra, Debendra K. and Gurjar, Mukund K.} } @article { ISI:000282106600012, title = {Synthetic view of an analogue of the spiro-beta-lactone-gamma-lactam ring in oxazolomycins and lajollamycin}, journal = {Synthesis-Stuttgart}, number = {19}, year = {2010}, month = {OCT}, pages = {3301-3308}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Herein, we describe a new synthetic strategy towards an analogue of the spiro-beta-lactone-gamma-lactam ring found in a class of potent antibiotics, the oxazolomycins and lajollamycin. The synthetic idea relies on the construction of two rings (beta-lactone and pyrrolidinone). The formation of the spiro-beta-lactone was accomplished by a crossed Cannizzaro reaction, while the 3,4-disubstituted pyrrolidinone ring was constructed by a titanium(IV) chloride mediated chelation-controlled double stereodifferentiating Crimmins aldol reaction of Garner{\textquoteright}s aldehyde.
}, keywords = {Crimmins aldol reaction, crossed Cannizzaro reaction, Garner{\textquoteright}s aldehyde, lactones, Mitsunobu reaction, pyrrolidine}, issn = {0039-7881}, doi = {10.1055/s-0030-1257872}, author = {Mondal, Dhananjoy and Bera, Smritilekha} } @article { ISI:000282259600001, title = {Systems approach to investigating host-pathogen interactions in infections with the biothreat agent Francisella. constraints-based model of Francisella tularensis}, journal = {BMC Systems Biology}, volume = {4}, year = {2010}, month = {AUG}, pages = {118}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {
Background: Francisella tularensis is a prototypic example of a pathogen for which few experimental datasets exist, but for which copious high-throughout data are becoming available because of its re-emerging significance as biothreat agent. The virulence of Francisella tularensis depends on its growth capabilities within a defined environmental niche of the host cell. Results: We reconstructed the metabolism of Francisella as a stoichiometric matrix. This systems biology approach demonstrated that changes in carbohydrate utilization and amino acid metabolism play a pivotal role in growth, acid resistance, and energy homeostasis during infection with Francisella. We also show how varying the expression of certain metabolic genes in different environments efficiently controls the metabolic capacity of F. tularensis. Selective gene-expression analysis showed modulation of sugar catabolism by switching from oxidative metabolism (TCA cycle) in the initial stages of infection to fatty acid oxidation and gluconeogenesis later on. Computational analysis with constraints derived from experimental data revealed a limited set of metabolic genes that are operational during infection. Conclusions: This integrated systems approach provides an important tool to understand the pathogenesis of an ill-characterized biothreat agent and to identify potential novel drug targets when rapid target identification is required should such microbes be intentionally released or become epidemic.
}, issn = {1752-0509}, doi = {10.1186/1752-0509-4-118}, author = {Raghunathan, Anu and Shin, Sookil and Daefler, Simon} } @article { ISI:000279017900010, title = {Temperature dependent viscosity of mixtures of ionic liquids at different compositions}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {49}, number = {5-6, SI}, year = {2010}, month = {MAY}, pages = {727-730}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
This work presents experimental investigations of viscosities of the mixtures of ionic liquids, viz., [bmim][BF(4)] + [bmim][PF(6)] and [hmim][BF(4)] + [hmim][PF(6)] at different temperatures. The temperature dependence of viscosities of these mixtures has been analysed in the light of Vogel-Fulcher-Tammann (VFT) equation with excellent accuracy. The viscosities of the mixtures have been analysed using a simple mixing rule.
}, keywords = {ionic liquids, viscosity}, issn = {0376-4710}, author = {Khupse, Nageshwar D. and Kurolikar, Shabana R. and Kumar, Anil} } @article { ISI:000283110500021, title = {Temperature effect on the molecular interactions between ammonium ionic liquids and N,N-dimethylformamide}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {42}, year = {2010}, month = {OCT}, pages = {13415-13425}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In view of the wide scope of molecular interactions between the highly polar compound of N,N-dimethylformamide (DMF) and ammonium ionic liquids (ILs), we have measured thermophysical properties such as densities (rho) and ultrasonic sound velocities (u) over the whole composition range at temperatures ranging from 25 to 50 degrees C under atmospheric pressure. To gain some insight into the several aggregations of molecular interactions present in these mixed solvents, we predicted the excess molar volume (V(E)) and the deviations in isentropic compressibilities (Delta K(s)) as a function of the concentration of IL. These results are fitted to the Redlich-Kister polynomials. The materials investigated in the present study included the hydroxide series of ammonium ILs of tetramethylammonium hydroxide [(CH(3))(4)N][OH] (TMAH), tetraethylammonium hydroxide [(C(2)H(5))(4)N][OH] (TEAH), and tetrapropylammonium hydroxide [(C(2)H(7))(4)N][OH] (TPAH). The intermolecular interactions and structural effects were analyzed on the basis of the measured and the derived properties. A qualitative analysis of the results is discussed in terms of the ion-dipole and ion-pair interactions, and hydrogen bonding between ILs and DMF molecules and their structural factors.
}, issn = {1520-6106}, doi = {10.1021/jp108003x}, author = {Attri, Pankaj and Venkatesu, Pannuru and Kumar, Anil} } @article { ISI:000280070900009, title = {Temperature-dependent raman and dielectric spectroscopy of BiFeO3 nanoparticles: signatures of spin-phonon and magnetoelectric coupling}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {29}, year = {2010}, month = {JUL}, pages = {12432-12439}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report the temperature-dependent Raman and dielectric spectroscopy of chemically synthesized BiFeO3 nanoparticles (average size similar to 50-60 nm). The Raman spectra (90-700 K) show two sets of transitions in the lowest Raman E mode, associated with Bi-O bond motion situated in close proximity to the spin reorientation transitions reported for BiFeO3, thereby indicating the existence of possible coupling between magnons and phonons for particle size below the helical order parameter (62 nm). These transitions are slightly shifted in temperature in comparison to the bulk single crystals. We also observe a step-like behavior in Raman peak position around the Neel temperature, suggesting that the phonons are influenced by the magnetic ordering in nanosized BiFeO3. The heat-flow measurements show two sharp endothermic peaks at 1094 and 1223 K representing rhombohedral to orthorhombic or monoclinic transition followed by transition into the cubic phase above 1200K. The low temperature (20-325 K), frequency-dependent (1-10(6) Hz) dielectric constant and loss tangent measurements show that the loss tangent (similar to 10(-3)) and ac conductivity values (similar to 10(-8) Ohm(-1)-cm(-1)) are orders of magnitude lower than the reported values for BiFeO3 ceramics, indicating high levels of ionic purity of our samples. The real part of the permittivity shows a slight reduction in its value (similar to 30) in comparison to the bulk single crystals. Similar to the Stokes Raman shift, its temperature-dependent dielectric constant also shows four weak anomalies at similar to 85, 168, 205, and 230 K situated in close proximity to the spin reorientation transitions, indicating magnetoelectric coupling.
}, issn = {1932-7447}, doi = {10.1021/jp102450z}, author = {Jaiswal, Adhish and Das, Raja and Maity, Tuhin and Vivekanand, K. and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000279851200004, title = {Template assisted highly ordered novel self assembly of micro-reservoirs and its replication}, journal = {Lab on a Chip}, volume = {10}, number = {15}, year = {2010}, month = {JAN}, pages = {1902-1906}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel method is developed for template assisted fabrication of a regular assembly of microcavity arrays. Simple micropatterns on PDMS mold are used to create complex geometries via solvent vapor back pressure in a biodegradable polymer. Cavities are in turn replicated in complimentary PDMS mushroom like microstructures.
}, issn = {1473-0197}, doi = {10.1039/c004576d}, author = {Hire, Santosh L. and Shelke, Manjusha V. and Kale, Vinayak S. and Galopin, Elisabeth and Kulkarni, Mohan G. and Boukherroub, Rabah and Ogale, Satishchandra B.} } @article { ISI:000277203500017, title = {Template-assisted synthesis and characterization of passivated nickel nanoparticles}, journal = {Nanoscale Research Letters}, volume = {5}, number = {5}, year = {2010}, month = {MAY}, pages = {889-897}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Potential applications of nickel nanoparticles demand the synthesis of self-protected nickel nanoparticles by different synthesis techniques. A novel and simple technique for the synthesis of self-protected nickel nanoparticles is realized by the inter-matrix synthesis of nickel nanoparticles by cation exchange reduction in two types of resins. Two different polymer templates namely strongly acidic cation exchange resins and weakly acidic cation exchange resins provided with cation exchange sites which can anchor metal cations by the ion exchange process are used. The nickel ions which are held at the cation exchange sites by ion fixation can be subsequently reduced to metal nanoparticles by using sodium borohydride as the reducing agent. The composites are cycled repeating the loading reduction cycle involved in the synthesis procedure. X-Ray Diffraction, Scanning Electron Microscopy, Transmission Electron microscopy, Energy Dispersive Spectrum, and Inductively Coupled Plasma Analysis are effectively utilized to investigate the different structural characteristics of the nanocomposites. The hysteresis loop parameters namely saturation magnetization and coercivity are measured using Vibrating Sample Magnetometer. The thermomagnetization study is also conducted to evaluate the Curie temperature values of the composites. The effect of cycling on the structural and magnetic characteristics of the two composites are dealt in detail. A comparison between the different characteristics of the two nanocomposites is also provided.
}, keywords = {Nickel nanoparticles, Polymer-metal nanocomposites, Strongly acidic cation exchange resin, Stuctural and magnetic properties, Weakly acidic cation exchange resin}, issn = {1556-276X}, doi = {10.1007/s11671-010-9580-7}, author = {Gopalan, E. Veena and Malini, K. A. and Santhoshkumar, G. and Narayanan, T. N. and Joy, Pattayil Alias and Al-Omari, I. A. and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000282128700005, title = {Tensile properties, cell adhesion, and drug release behavior of chitosan-silver-gelatin nanohybrid films and scaffolds}, journal = {Macromolecular Research}, volume = {18}, number = {9}, year = {2010}, month = {SEP}, pages = {845-852}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Drug-loaded nanohybrid films and porous scaffolds were prepared using chitosan, Ag nanoparticles and gelatin using a solution casting and freeze-drying method, respectively. Gelatin was used to incorporate the cell onto the surface of the scaffolds and the nanohybrid films. 1-[2-hydroxyethyl]-2-methyl-5-nitroimidazole) (Metronidazole (MTZ) was used as a model drug. The small percentage of Ag nanoparticles in the nanohybrid films and scaffolds produced significantly higher cell proliferation and levels of drug release. The tensile properties showed improvement in strength by Ag nanoparticles reinforcement at the expense of elongation.
}, keywords = {carcinogenic metronidazole, cell proliferation, chitosan-Ag-gelatin nanohybrids, drug release, nano-hybrids, scaffolds}, issn = {1598-5032}, doi = {10.1007/s13233-010-0905-2}, author = {Rana, V. K. and Kushwaha, Omkar S. and Singh, RajPal and Mishra, Satyendra and Ha, Chang-Sik} } @article { ISI:000275328000070, title = {Thermal conductivity measurement of polyglycol alkyl ethers at temperatures from (303.15 to 393.15) K}, journal = {Journal of Chemical and Engineering Data}, volume = {55}, number = {3}, year = {2010}, month = {MAR}, pages = {1449-1452}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Experimental Values of the thermal conductivity of five pure polyglycol alkyl ethers are presented in a temperature range from (303.15 to 393.15) K at a pressure of 1 MPa. Measurements were made with a Setaram C-80 II calorimetric device equipped with a suitable vessel Setup and ail auxiliary thermostat to measure at high-temperature conditions using the steady-state coaxial cylinders method. The measured values of the thermal conductivity were compared with data reported in the literature. The reliability and accuracy of the experimental method were confirmed with the measurements on pure benzene with well-known thermal conductivity values. Our data agreed with the limited data available in the literature and were correlated using an empirical expression. The Uncertainty of the results was estimated to be within 2.0 \%, and the reproducibility of the data was better than +/- 0.5 \%.
}, issn = {0021-9568}, doi = {10.1021/je900641w}, author = {Salavera, Daniel and Patil, Kashinath R. and Coronas, Alberto} } @article { ISI:000277822200012, title = {Thermodynamic analysis of dry autothermal reforming of glycerol}, journal = {Fuel Processing Technology}, volume = {91}, number = {5}, year = {2010}, month = {MAY}, pages = {520-530}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{Dry autothermal reforming of glycerol uses a combination of dry (CO(2)) reforming and partial oxidation reactions to produce syngas rich product stream. Thermodynamic equilibrium data for dry autothermal reforming of glycerol was generated for temperature range 600-1000 K . 1 bar pressure, OCGR [feed O(2)/C (C of glycerol only) ratio] 0.1 to 0.5 and CGR [feed CO(2)/glycerol ratio] 1 to 5 and analyzed. The objective of the paper is to identify the thermodynamic domain of the process operation, study the variation of product distribution pattern and describe the optimum conditions to maximize yield of the desired product and minimize the undesired product formation. Higher OCGR and higher CGR yielded a syngas ratio (similar to 1), with lower carbon and methane formation, while lower CGR and lower OCGR yielded good hydrogen and total hydrogen, with low water and CO2 production. The best thermoneutral condition for DATR of glycerol operation was seen at a temperature of 926.31 K at 1 bar pressure
}, keywords = {CO(2) reforming, Dry reforming, Glycerol reforming, Syngas production, Thermodynamic modeling}, issn = {0378-3820}, doi = {10.1016/j.fuproc.2009.12.015}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D.} } @article { ISI:000279737500056, title = {Thermodynamic study of combining chemical looping combustion and combined reforming of propane}, journal = {Fuel}, volume = {89}, number = {10}, year = {2010}, month = {OCT}, pages = {3141-3146}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Existing energy generation technologies emit CO(2) gas and are posing a serious problem of global warming and climate change. The thermodynamic feasibility of a new process scheme combining chemical looping combustion (CLC) and combined reforming (CR) of propane (LPG) is studied in this paper. The study of CLC of propane with CaSO(4) as oxygen carrier shows thermodynamic feasibility in temperature range (400-782.95 degrees C) at 1 bar pressure. The CO(2) generated in the CLC can be used for combined reforming of propane in an autothermal way within the temperature range (400-1000 degrees C) at 1 bar pressure to generate syngas of ratio 3.0 (above 600 degrees C) which is extremely desirable for petrochemical manufacture. The process scheme generates (a) huge thermal energy in CLC that can be used for various processes, (b) pure N(2) and syngas rich streams can be used for petrochemical manufacture and (c) takes care of the expensive CO(2) separation from flue gas stream and CO(2) sequestration. The thermoneutral temperature (TNP) of 702.12 degrees C yielding maximum syngas of 5.98 mol per mole propane fed, of syngas ratio 1.73 with negligible methane and carbon formation was identified as the best condition for the CR reactor operation. The process can be used for different fuels and oxygen carriers. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Chemical looping combustion, CLC, CO(2) utilization, Energy generation}, issn = {0016-2361}, doi = {10.1016/j.fuel.2010.05.029}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D. and Joshi, Ajit R.} } @article { ISI:000285819500015, title = {Thermoneutral point analysis of ethanol dry autothermal reforming}, journal = {Chemical Engineering Journal}, volume = {165}, number = {3}, year = {2010}, month = {DEC}, pages = {864-873}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
{Dry autothermal reforming of ethanol can be used to produce a variety of value added products like hydrogen, syngas and also carbon (possible CNF). A thermodynamic analysis of dry autothermal reforming of ethanol has been carried out to locate the thermoneutral temperatures and product composition at those points at 1, 3, 6 and 9 bar reaction pressures. The variations of thermoneutral temperatures and individual product yields at those temperatures have been discussed to find the optimum operating parameters for desired product output from the process. The process operated at thermoneutral conditions can give useful products like hydrogen, syngas (of low ratio) and carbon (possibly CNFs) and also provide a way for CO2 sequestration using renewable ethanol fuel. A maximum of 2.58 moles of syngas of ratio 2.01 obtained at 1 bar
}, keywords = {CO2 utilization, Dry autothermal reforming, Ethanol reforming, Thermoneutral}, issn = {1385-8947}, doi = {10.1016/j.cej.2010.10.033}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D.} } @article { ISI:000276556600030, title = {Total synthesis of proposed auranthine}, journal = {Journal of Organic Chemistry}, volume = {75}, number = {8}, year = {2010}, month = {APR}, pages = {2702-2705}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Starting from CBz-protected glutamic anhydride and Boc-protected o-aminobenzyl amine, the first total synthesis of proposed structure of auranthine has been reported. An intramolecular aza-Wittig reaction involving a lactam carbonyl group that delivered the diazepine core unit was the key step in the synthesis.
}, issn = {0022-3263}, doi = {10.1021/jo100400z}, author = {Kshirsagar, Umesh A. and Puranik, Vedavati G. and N. P. Argade} } @article { ISI:000278575600024, title = {Total synthesis of tropinone using 1,3-dipolar cycloaddition of cyclic azomethine ylide and phenyl vinyl sulfone as the key step}, journal = {Chemistry of Natural Compounds}, volume = {46}, number = {2}, year = {2010}, month = {MAY}, pages = {254-256}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Total synthesis of tropinone from the readily available piperidone 2 is described. The rapid assembly of the tropane skeleton was achieved by 1,3-dipolar cycloaddition of cyclic azomethine ylide 3 to phenyl vinyl sulfone.
}, keywords = {1, 3-dipolar cycloaddition, cyclic azomethine ylide, phenyl vinyl sulfone, tropane alkaloids, tropinone}, issn = {0009-3130}, author = {Laha, Joydev K.} } @article { ISI:000278725100017, title = {Transesterification of cyclic carbonates to dimethyl carbonate using solid oxide catalyst at ambient conditions: environmentally benign synthesis}, journal = {Chemsuschem}, volume = {3}, number = {5}, year = {2010}, month = {MAY}, pages = {575-578}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, keywords = {calcium, environmental chemistry, heterogeneous catalysis, transesterification zinc}, issn = {1864-5631}, doi = {10.1002/cssc.201000038}, author = {Sankar, Meenakshisundaram and Satav, Srikanth and Manikandan, Palanichamy} } @article { ISI:000281996100013, title = {Transformation of chemically fine tuned zeolite A precursor into dense lithium aluminosilicates - a comprehensive phase evolution and sintering study}, journal = {Microporous and Mesoporous Materials}, volume = {135}, number = {1-3}, year = {2010}, month = {NOV}, pages = {82-89}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Beyond their conventional revelation as catalysts, zeolites are being perceived as more challenging materials for modern applications. Thermal recrystallization of zeolite precursors is an efficient method for the preparation of dense aluminosilicate ceramics. However, factors viz., nature of the precursor and the way of firing it etc., influence the product quality. The present report is a systematic and detailed account of a phase transformation of Li modified zeolite A precursor using powder X-ray diffraction (PXRD), thermogravimetry (TG), differential thermal analysis (DTA), scanning electron micrographs (SEM), atomic absorption spectroscopy (MS), energy dispersive X-ray (EDX) and density measurement techniques. It involves an amorphisation followed by a recrystallization into lithium aluminosilicate (LAS). A comprehensive correlation of PXRD, TG/DTA, SEM, EDX and density data explains the complexity of high temperature phase transition (25-1200 degrees C). A qualitative phase analysis revealed the mediation of formation of LAS ceramic, beta-spodumene by few satellite transitions of SiO(2). (C) 2010 Elsevier Inc. All rights reserved.
}, keywords = {LAS silicate, Phase evolution, Phase transformation, Powder XRD, zeolite}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2010.06.014}, author = {Selvaraj, Kaliaperumal} } @article { ISI:000275969800001, title = {Transport of yttrium metal ions through fibers supported liquid membrane solvent extraction}, journal = {Journal of Rare Earths}, volume = {28}, number = {1}, year = {2010}, month = {FEB}, pages = {1-6}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A novel idea of transport of yttrium (III) metal ions through fibers supported liquid membrane in two stage processes namely source to membrane and membrane to receiving phase has been proposed. The fibers supported liquid membrane was impregnated with different concentrations carrier. The experimental variables explored were concentration of yttrium (III) ions, pH of source phase, PC-88A concentration in membrane phase, acid concentration in receiving phase and stirring speed. The pre-concentration of yttrium MO ions was investigated from the dilute solutions. The two-channel fibers supported liquid membrane solvent extraction was investigated for the transport of yttrium (III) ions from the source to membrane and membrane to receiving phase. The transport of yttrium (III) ions was observed through the fibers supported liquid membrane with capillary action.
}, keywords = {channel, extraction, fibers supported liquid membrane solvent extraction, PC-88A, rare earths, stripping, yttrium metal ion}, issn = {1002-0721}, doi = {10.1016/S1002-0721(09)60038-7}, author = {Gaikwad, Abaji G. and Rajput, A. M.} } @article { ISI:000276061200012, title = {Ultrasound-triggered release of ibuprofen from a chitosan-mesoporous silica composite - a novel approach for controlled drug release}, journal = {Macromolecular Symposia}, volume = {287}, year = {2010}, note = {4th International Symposium on Macro-and Supramolecular Architectures and Materials, Dusseldorf, GERMANY, SEP 07-11, 2008}, month = {JAN}, pages = {80-88}, publisher = {Int Union Pure \& Appl Chem; German Res Fdn}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
In this work, an attempt was made to synthesize a novel Chitosan-Mesoporous silica (CS-MS) hybrid composite to design a drug delivery system based on ultrasound triggered stimuli-responsive smart release. The in-vitro drug release properties of both the Mesoporous Silica (MS) and Chitosan (CS) hybrids were investigated. Ibuprofen (Ibu) was used as a model drug. The results from powder X-Ray diffraction (XRD) patterns, and BET N(2) adsorption isotherms exhibited that MS can accommodate drug molecules into the lumen of the channels and pores. Drug release, stimulated by temperature and pH of the release media was also investigated. We studied the Ultrasound (US) triggered release of Ibu in a simulated body fluid (pH 7.4). The results exhibited that US can be used as a non-invasive technique for drug release from polymeric materials. The enhancing effect of ultrasound on drug release is due to the Cavitation effect, without causing any significant destruction on the polymer morphology.
}, keywords = {Chitosan, drug delivery systems, ibuprofen, Mesoporous silica, Ultrasound}, issn = {1022-1360}, doi = {10.1002/masy.201050111}, author = {Depan, Dilip and Saikia, Lakshi and Singh, Raj Pal} } @article { ISI:000293064700010, title = {Uncatalyzed synthesis of thiomorpholide using polyethylene glycol as green reaction media}, journal = {Green Chemistry Letters and Reviews}, volume = {3}, number = {4}, year = {2010}, month = {DEC}, pages = {315-318}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Polyethylene glycol-600 was used as an efficient and recyclable solvent for the one-pot three component condensation reactions of aryl alkyl ketones, sulfur, and morpholine to produce the corresponding thiomorpholide. This protocol has advantages of high yields, short reaction times, mild reaction conditions, minimal environmental pollution, and simple work up procedure. [GRAPHICS] .
}, keywords = {polyethylene glycol-600, Sulfur, thiomorpholide, Willgerodt-Kindler reaction}, issn = {1751-8253}, doi = {10.1080/17518253.2010.486772}, author = {Gawande, Shrikant S. and Bandgar, Babasaheb P. and Kadam, Prasad D. and Sable, Shailesh S.} } @article { ISI:000273084000005, title = {Understanding the genetic structure of symplocos laurina wall. populations using nuclear gene markers}, journal = {Genetica}, volume = {138}, number = {2}, year = {2010}, month = {FEB}, pages = {197-210}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
To characterize the genetic diversity of present populations of Symplocos laurina, which grow in the montane forests in India, we analyzed the DNA sequences of a nuclear gene. Using the 881 bp sequence of cytosolic Glyceraldehyde-3-phosphate dehydrogenase gene, we detected 24 haplotypes among 195 individuals sampled from 14 populations. Two dominant haplotypes were distributed over the entire range of this species in India and several private haplotypes were found. Low genetic diversity within population, high differentiation, number of population specific haplotypes and deviation from neutral evolution characterized the present populations of S. laurina. An analysis of molecular variance indicated the presence of geographic structure within the haplotype distribution. The occurrence of S. laurina preglaciation in India is the most parsimonious explanation for the current geographic structure observed. The populations are presumably ancient and might have spread across its extant distribution range in India through a recent range expansion event.
}, keywords = {GapC, Genetic diversity, Glaciation, Refugium}, issn = {0016-6707}, doi = {10.1007/s10709-009-9410-y}, author = {Banu, Sofia and Bhagwat, Rasika M. and Kadoo, Narendra Y. and Lagu, Meena D. and Gupta, V. S.} } @article { ISI:000276341700068, title = {Understanding the reactivity properties of Au-n (6 <= n <= 13) clusters using density functional theory based reactivity descriptors}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {14}, year = {2010}, month = {APR}, pages = {6690-6703}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{Relativistic density functional theory (DFT) based calculations have been performed on gold clusters with six to thirteen atoms (Au-n
}, issn = {1932-7447}, doi = {10.1021/jp1004852}, author = {De, Himadri Sekhar and Krishnamurty, Sailaja and Pal, Sourav} } @article { ISI:000282830500007, title = {Unusual central indian drought of summer monsoon 2008: role of southern tropical indian ocean warming}, journal = {Journal of Climate}, volume = {23}, number = {19}, year = {2010}, month = {OCT}, pages = {5163-5174}, publisher = {AMER METEOROLOGICAL SOC}, address = {45 BEACON ST, BOSTON, MA 02108-3693 USA}, abstract = {
While many of the previous positive Indian Ocean dipole (IOD) years were associated with above (below)normal monsoon rainfall over central (southern) India during summer monsoon months [June-September (JJAS)], the IOD event in 2008 is associated with below (above)-normal rainfall in many parts of central (southern peninsular) India. Because understanding such regional organization is a key for success in regional prediction, using different datasets and atmospheric model simulations, the reasons for this abnormal behavior of the monsoon in 2008 are explored. Compared to normal positive IOD events, sea surface temperature (SST) and rainfall in the southern tropical Indian Ocean (STIO) in JJAS 2008 were abnormally high. Downwelling Rossby waves and oceanic heat advection played an important role in warming SST abnormally in the STIO. It was also found that the combined influence of a linear warming trend in the tropical Indian Ocean and warming associated with the IOD have resulted in abnormal warming of the STIO. This abnormal SST warming resulted in enhancement of convection in the southwest tropical Indian Ocean and forced anticyclonic circulation anomalies over the Bay of Bengal and central India, leading to suppressed rainfall over this region in JJAS 2008. The above mechanism is tested by conducting several model sensitivity experiments with an atmospheric general circulation model (AGCM). These experiments confirmed that the subsidence over central India and the Bay of Bengal was forced mainly by the anomalous warming in the STIO region driven by coupled ocean-atmosphere processes. This study provides the first evidence of combined Indian Ocean warming, associated with global warming, and IOD-related warming influence on Indian summer monsoon rainfall. The combined influence may force below-normal rainfall over central India by inducing strong convection in the STIO region. The conventional seesaw in convection between the Indian subcontinent and the eastern equatorial Indian Ocean may shift to the central equatorial Indian Ocean and the Bay of Bengal if the central Indian Ocean consistently warms in the global warming scenario.
}, issn = {0894-8755}, doi = {10.1175/2010JCLI3257.1}, author = {Rao, Suryachandra A. and Chaudhari, Hemantkumar S. and Pokhrel, Samir and Goswami, B. N.} } @article { ISI:000274869900014, title = {Vanadia-titania thin films for photocatalytic degradation of formaldehyde in sunlight}, journal = {Applied Catalysis A-General}, volume = {374}, number = {1-2}, year = {2010}, month = {FEB}, pages = {103-109}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Thin films of vanadia-titania with good adhesion to the substrates have been deposited on various substrates such as glass slides, glass helix and silica raschig rings by simple sol-gel dip coating process using vanadium and titanium peroxide gel. The optimum concentration of vanadia in titania for obtaining good uniform viscous gel was found to be 0.5-4 wt\% beyond which the vanadia particles disturb the gel network, resulting in the formation of a gelatinous precipitate. The films of vanadia-titania as well as the dried powder of the bulk gel were characterized by different characterization techniques. Optical characterization by UV-vis spectrophotometer showed a shift in optical absorption wavelength to the visible region that may be due to the incorporation of vanadia into titania structure. The XRD revealed the formation of anatase phase in pure titania as well as titania with up to 2\% vanadia loading, whereas formation of rutile as minor phase along with anatase as major phase was observed at higher vanadia loading. The XRD did not show any peaks of vanadia phase up to 5\% vanadia loading indicating either incorporation of vanadia into titania structure or high dispersion of amorphous vanadia on titania support. The pure and vanadia doped TiO(2) thin films were evaluated for their photocatalytic activity for degradation of methylene blue as a model pollutant under sunlight. Doping Of V(2)O(5) in TiO(2) showed an increase in the photo-degradation rate of methylene blue by a factor of 3-6.6 times compared to pure TiO(2). The highest rate has been obtained for 4\% V(2)O(5)-doped TiO(2) films. Vanadia doped TiO(2) thin films were also found to be very active for photocatalytic degradation of formaldehyde from aqueous solution in sunlight. (c) 2009 Elsevier B.V. All rights reserved.
}, keywords = {Formaldehyde, Methylene blue, Photocatalysis, Sunlight, Thin films, V(2)O(5)/TiO(2)}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.11.035}, author = {Akbarzadeh, Rokhsareh and Shubhangi B. Umbarkar and Sonawane, Ravindra S. and Takle, Srikant and Dongare, Mohan K.} } @article { ISI:000273709900033, title = {Vice to virtue: intracellular biogenic nanoparticles for the generation of carbon supported catalysts}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {10}, number = {2}, year = {2010}, month = {FEB}, pages = {905-911}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Intracellular biogenic nanoparticles are considered disadvantageous as the separation of the nanoparticles from the biomass becomes intricate. However realizing the importance of carbon supported catalyst for many important organic reactions we envisaged these nanoparticles as a source for carbon supported catalyst. Herein we demonstrate the heat treatment of intracellular biogenic nanoparticles under inert atmosphere as an efficient method for the preparation of carbon supported metal oxide catalysts. Aspergillus ochraceus, a fungus isolated from foundries, on incubation with K(2)TiF(6) led to the synthesis of intracellular titanium oxide nanoparticles. The nanoparticles embedded biomass upon heat treatment at 600 degrees C in a nitrogen environment gave titanium oxide nanoparticles implanted in a carbonaceous matrix. The material thus formed was characterized using FTIR spectroscopy, Raman spectroscopy, HRTEM and X-ray diffraction. Appreciable benzaldehyde selectivity was observed when styrene oxidation was carried out over such immobilized catalysts. The conversion rate was determined to be 76\% and the benzaldehyde selectivity was greater than 80\%.
}, keywords = {Benzaldehyde Selectivity, Biosynthesis, Carbon Supported Titania, Nanoparticles, Styrene Oxidation}, issn = {1533-4880}, doi = {10.1166/jnn.2010.1894}, author = {Vijayakumar, P. S. and Selvakumar, S. and Gholap, Ramkrishna S. and Singh, A. P. and Bhagavatula L. V. Prasad} } @article { ISI:000277649500046, title = {Volume transition of PNIPAM in a nonionic surfactant hexagonal mesophase}, journal = {Macromolecules}, volume = {43}, number = {10}, year = {2010}, month = {MAY}, pages = {4782-4790}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We investigate the volume transition of a thermoresponsive polymer, poly(N-isopropylacrylamide), PNIPAM, in the presence of an aqueous solution of nonionic surfactant, C(12)E(9). We combine turbidimetry with optical microscopy, NMR, and SAXS to follow the volume transition of the PNIPAM and the H(1)-isotropic transition of the surfactant/water system. Nonionic surfactants such as C(12)E(9) are known to interact weakly with PNIPAM. Accordingly, we show that there is only a small change in the volume transition temperature for the PNIPAM in isotropic micellar solutions of C(12)E(9), even for relatively high concentrations of C(12)E(9). Interestingly, once the surfactant forms an H(1) phase, there is a dramatic decrease in the coil globule transition onset temperature. We believe that this behavior results from a competition between C(12)E(9) in the H(1) phase, and PNIPAM to associate with water. When PNIPAM in the H(1) phase is cooled to low enough temperatures so as to be in the coil state, it locally disturbs the hexagonal phase ordering. Thus, we show that for PNIPAM in a weakly interacting surfactant matrix, it is the phase behavior of the matrix rather than the matrix chemistry that governs the coil globule transition. Finally, we show that in a PNIPAM copolymer with a higher LCST we observe an interesting sequence of transitions in the surfactant phase: on cooling from a high temperature free-blowing turbid globular state (similar to 75 degrees C), we enter a free-flowing translucent coil phase (similar to 47 degrees C), then a turbid gel (similar to 25 degrees C) where the copolymer is collapsed in the HI phase, and finally a low-temperature clear gel (similar to 5 degrees C) where the copolymer is in the expanded coil state.
}, issn = {0024-9297}, doi = {10.1021/ma100357h}, author = {Jijo, V. J. and Sharma, Kamendra P. and Mathew, Renny and Kamble, Samruddhi and Rajamohanan, P. R. and Ajithkumar, Thalasseril G. and Badiger, Manohar V. and Kumaraswamy, Guruswamy} } @article { ISI:000284555600009, title = {Water-induced switching of beta-structure to polyproline II conformation in the 4s-aminoproline polypeptide via H-bond rearrangement}, journal = {Organic Letters}, volume = {12}, number = {23}, year = {2010}, month = {DEC}, pages = {5390-5393}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
4S-Aminoproline polypeptide 2 forms unusual beta-structure in trifluoroethanol that switches to the polyproline II (PPII) form in aqueous medium. while 4R-aminoproline peptide 1 retains PPII form in both solvents. This first instance of a polyproline derivative showing a beta-structure is attributed to competitive pH-dependent (4-NH3+/NH2) stereoelectronic effect (4R vs 4S) and the overriding importance of stercospecific intra/intermolecular H-bonding in (2,4)-cis-4S-aminoproline in contrast to (2,4)-trans-4R-aminoproline oligomers.
}, issn = {1523-7060}, doi = {10.1021/ol1021993}, author = {Sonar, Mahesh V. and Ganesh, Krishna N.} } @article { ISI:000276917900011, title = {ZnO-beta zeolite: as an effective and eco-friendly heterogeneous catalyst for the synthesis of benzothiazole derivatives}, journal = {Chinese Chemical Letters}, volume = {21}, number = {4}, year = {2010}, month = {APR}, pages = {421-425}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
A cheap and recyclable ZnO-beta zeolite was used as catalyst for the synthesis of benzothiazole derivatives. This method provides several advantages such as environmental friendliness, short reaction times, high yields, simple work-up procedure and catalyst was successfully reused for four cycles without significant loss of activity. (C) 2009 Machhindra K. Lande. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
}, keywords = {Benzothiazole, cyclocondensation, heterogeneous catalyst, ZnO-beta zeolite}, issn = {1001-8417}, doi = {10.1016/j.cclet.2009.10.020}, author = {Katkar, Santosh S. and Mohite, Pravinkumar H. and Gadekar, Lakshman S. and Vidhate, Kaluram N. and Lande, Machhindra K.} } @article { ISI:000293064700006, title = {ZnO-beta zeolite: as an effective and reusable heterogeneous catalyst for the one-pot synthesis of polyhydroquinolines}, journal = {Green Chemistry Letters and Reviews}, volume = {3}, number = {4}, year = {2010}, month = {DEC}, pages = {287-292}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
ZnO-beta zeolite, an inexpensive and mild catalyst, has been used for the synthesis of polyhydroquinolines in excellent yields from the one-pot four-component condensation of aldehydes, dimedone, ethyl acetoacetate, and ammonium acetate in ethanol at room temperature. The remarkable advantages offered by this method are a green catalyst, mild reaction conditions, simple work-up procedures, much faster reactions, and excellent yield of products. Furthermore, the catalyst could be reused several times keeping its initial activity in recycled reactions.
}, keywords = {Hantzsch condensation, heterogeneous catalyst, multicomponent, ZnO-beta zeolite}, issn = {1751-8253}, doi = {10.1080/17518253.2010.482065}, author = {Katkar, Santosh S. and Mohite, Pravinkumar H. and Gadekar, Lakshman S. and Arbad, Balasaheb R. and Lande, Machhindra K.} } @article { ISI:000276548300011, title = {ZnO-beta zeolite mediated simple and efficient method for the one-pot synthesis of quinoxaline derivatives at room temperature}, journal = {Central European Journal of Chemistry}, volume = {8}, number = {2}, year = {2010}, month = {APR}, pages = {320-325}, publisher = {VERSITA}, address = {SOLIPSKA 14A-1, 02-482 WARSAW, POLAND}, abstract = {
A rapid and an efficient one-pot method for the synthesis of quinoxalines catalysed by ZnO-beta zeolite at room temperature is described. This environmentally benign method provides several advantages over methods that are currently employed such as a simple work-up, mild reaction conditions, good to excellent yields, and a process to recover and reuse the catalyst for several cycles with consistent activity.
}, keywords = {cyclocondensation, Quinoxaline, Room temperature, ZnO-beta zeolite}, issn = {1895-1066}, doi = {10.2478/s11532-009-0151-7}, author = {Katkar, Santosh S. and Mohite, Pravinkumar H. and Gadekar, Lakshman S. and Arbad, Balasaheb R. and Lande, Machhindra K.} } @article { ISI:000295615400016, title = {1,8-Bis(4-methoxy-3-nitrophenyl)naphthalene}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {67}, number = {10}, year = {2011}, month = {OCT}, pages = {O2630+}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Molecules of the title compound, C(24)H(18)N(2)O(6), are located on a twofold rotation axis passing through through the central C-C bond of the naphthalene ring system. The molecular conformation is characterized by a roughly coplanar arrangement of the two substituted phenyl rings [dihedral angle 18.53 (5)degrees]. These two aryl rings are each twisted by 65.40 (5)degrees from the plane of the naphthyl unit.
}, issn = {1600-5368}, doi = {10.1107/S1600536811036567}, author = {Prabhakaran, Panchami and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000286474600008, title = {(-)-6 alpha-Hydroxy polyanthellin A - a novel antifouling diterpenoid from the Indian soft coral Cladiella krempfi (Hickson)}, journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie}, volume = {89}, number = {1}, year = {2011}, month = {JAN}, pages = {57-60}, publisher = {CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS}, address = {1200 MONTREAL ROAD, BUILDING M-55, OTTAWA, ON K1A 0R6, CANADA}, abstract = {
Bioassay-guided purification of methanol extract of the soft coral Cladiella krempfi (Octocorallia: Alcynocea) yielded a novel eunicellin-type diterpenoid, (-)-6 alpha-hydroxy polyanthellin A (1), active against the cyprids of the fouling barnacle, Balanus amphitrite (EC(50) 9.02 mu g/mL; LC(50) 36 mu g/mL; and therapeutic ratio = 4). The structure of compound 1 was determined from its spectral data, including IR, NMR (1D and 2D NMR), and mass spectra.
}, keywords = {antifouling, Balanus amphitrite, biofouling, Cladiella krempfi, diterpenes}, issn = {0008-4042}, doi = {10.1139/V10-159}, author = {Mol, V. P. Limna and Raveendran, T. V. and Parameswaran, P. S. and Kunnath, R. J. and Rajamohanan, P. R.} } @article { ISI:000295235200041, title = {Ab initio and periodic DFT investigation of hydrogen storage on light metal-decorated MOF-5}, journal = {International Journal of Hydrogen Energy}, volume = {36}, number = {17}, year = {2011}, month = {AUG}, pages = {10816-10827}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The effect of light metal (M = Li, Be, Mg, and Al) decoration on the stability of metal organic framework MOF-5 and its hydrogen adsorption is investigated by ab initio and periodic density functional theory (DFT) calculations by employing models of the form BDC:M-2:nH(2) and MOF-5:M-2:nH(2), where BDC stands for the benzenedicarboxylate organic linker and MOF-5 represents the primitive unit cell. The suitability of the periodic DFT method employing the GGA-PBE functional is tested against MP2/6-311 + G* and MP2/cc-pVTZ molecular calculations. A correlation between the charge transfer and interaction energies is revealed. The metal-MOF-5 interactions are analyzed using the frontier molecular orbital approach. Difference charge density plots show that H-2 molecules get polarized due to the charge generated on the metal atom adsorbed over the BDC linker, resulting in electrostatic guest-host interactions. Our solid state results show that amongst the four metal atoms, Mg and Be decoration does not stabilize the MOF-5 to any significant extent. Li and Al decoration strengthened the H-2-MOE-5 interactions relative to the pure MOF-5 exhibited by the enhanced binding energies. The hydrogen binding energies for the Li- and Al-decorated MOF-5 were found to be sensible for allowing reversible hydrogen storage at ambient temperatures. A high hydrogen uptake of 4.3 wt.\% and 3.9 wt.\% is also predicted for the Li- and Al-decorated MOF-5, respectively. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {ab initio calculations, Density functional theory, Hydrogen binding energies, Hydrogen storage, Metal-Pi-Arene interactions}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2011.05.165}, author = {Dixit, Mudit and Maark, Tuhina Adit and Pal, Sourav} } @article { ISI:000287163800020, title = {Ab initio calculations of the geometry and polarizabilities of bisphenyls having aliphatic substituents}, journal = {International Journal of Quantum Chemistry}, volume = {111}, number = {5}, year = {2011}, month = {APR}, pages = {1092-1100}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Ab initio geometry optimization and polarizability calculations of a series of bisphenyls, which are the model compounds of chemically different polycarbonates using HF/6-31G and 6-31G** basis sets are presented. Calculated absolute value of the conformationally averaged optical anisotropy () of diphenyl propane, a model analog of bisphenol A polycarbonate, is higher than the corresponding experimental value in the dilute solution phase. The calculations have reproduced the relative trend in the optical anisotropy for the different bisphenyl model compounds in a manner similar to those using semiclassical approach, by incorporation of the condensed phase polarizabilities and quantum chemically calculated geometry structure into the valence optical scheme. Individual contributions to the gas phase polarizability and optical anisotropy of the model compounds for various dihedral conformers, because of the presence of different aliphatic chemical groups, are correctly predicted by the calculations here. (C) 2010 Wiley Periodicals, Inc. Int J Quantum Chem 111: 1092-1100, 2011
}, keywords = {ab initio, bisphenyl, optical anisotropy, polarizability, Polycarbonate, structure}, issn = {0020-7608}, doi = {10.1002/qua.22687}, author = {Sulatha, M. S. and Natarajan, U.} } @article { ISI:000294378600020, title = {Active pharmaceutical ingredient (api) from an estuarine fungus, microdochium nivale (Fr.)}, journal = {Journal of Environmental Biology}, volume = {32}, number = {5}, year = {2011}, month = {SEP}, pages = {653-658}, publisher = {TRIVENI ENTERPRISES}, address = {C/O KIRAN DALELA, 1/206 VIKAS NAGAR, KURSI RD, LUCKNOW 226 022, INDIA}, abstract = {
Various marine habitats sustain variety of bio-sources of ecological and biotech potentials. Pharmaceutical potential compound Cyclosporine A was reported from marine fungus Microdochium nivale associated with Porteresia coarctata, a marine salt marsh grass from mangrove environment distributed along the Central West Coast (CWC) of India. This study involves association of M. nivale with P. coarctata plant, fermentation conditions, purification of Cyclosporine A, chemical characterization etc. Its antifungal inhibition and MIC (Minimum inhibitory concentration) against Aspergillus strains (A. niger, A. japonicus, A. fresenii), yeasts and dermatophytes (Candida sp., Cryptococcus neoformans, Trichophyton mentagrophytes, T tonsurans, T violaceum, Microsporium gypsum and Fusarium sp.) were evaluated. However, the MIC against A. japonicus, C. neoformans, Candida sp. and T. tonsurans were confirmed to be as low as 12.5-25 mg disc(-1). The antifungal properties of Cyclosporine A against Aspergillus species, yeast and dermatophytes revealed that Cyclosporine A would be a potential compound for life threatening diseases caused by above fungi in both human and animals. Furthermore, we have reported herewith another source of Cyclosporin A derived from filamentous fungus, M. nivale. occurring in marine environment.
}, keywords = {antifungal, Cyclosporine A, Estuarine environment, Microdochium nivale}, issn = {0254-8704}, author = {Bhosale, Siddharth H. and Patil, K. B. and Parameswaran, P. S. and Naik, C. G. and Jagtap, T. G.} } @article { ISI:000286890500041, title = {Activity and stability of alpha-chymotrypsin in biocompatible ionic liquids: enzyme refolding by triethyl ammonium acetate}, journal = {Physical Chemistry Chemical Physics}, volume = {13}, number = {7}, year = {2011}, month = {FEB}, pages = {2788-2796}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In view the of wide scope of structural information of biomolecules in biocompatible ionic liquids (ILs) in various applications including chemical and biochemical, it is essential to study the productive preferential interactions between biological macromolecules and biocompatible ILs. We have therefore explored the stability and activity of alpha-chymotrypsin (CT) in the presence of five ILs from different families, such as triethyl ammonium acetate (TEAA), triethyl ammonium phosphate (TEAP) from ammonium salts, 1-benzyl-3-methylimidazolium chloride ([Bzmim][Cl]), 1-benzyl-3-methylimidazolium tetrafluoroborate ([Bzmim][BF(4)]) from imidazolium salts and tetra-butyl phosphonium bromide (TBPBr) from phosphonium families. Circular dichroism (CD) and UV-vis spectrophotometer experiments were used to study CT stabilization by ILs, related to the associated structural changes and enzyme activity studies, respectively. We observed that all ILs have a dominant contribution to the stabilization of CT. The stability and activity of CT depends on the structural arrangement of the ions of ILs. Our experimental results explicitly elucidate that more hydrophobic imidazolium and phosphonium cations carrying longer alkyl chains of ILs ([Bzmim][Cl], [Bzmim][BF(4)] and TBPBr) were weak stabilizers for CT, while small alkyl chain molecules of triethyl ammonium salts (TEAA and TEAP) are strong stabilizers and therefore more biocompatible for CT stability. Our CD and NMR measurements reveal that TEAA is a refolding additive for CT from a quenched thermal unfolded enzyme structure.
}, issn = {1463-9076}, doi = {10.1039/c0cp01291b}, author = {Attri, Pankaj and Venkatesu, Pannuru and Kumar, Anil} } @article { ISI:000288274200014, title = {Adsorption of cresols on zinc-aluminium hydroxides - a comparison with zeolite-X}, journal = {Separation Science and Technology}, volume = {46}, number = {3}, year = {2011}, month = {JAN}, pages = {PII 934305034}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
Liquid phase adsorption of m-cresol on Zn-Al hydroxide adsorbents with three different Zn/Al molar ratios was studied in different solvents and compared with commercial zeolite 13X. Among the three adsorbents, ZA-16 showed adsorption capacity similar to commercial zeolite 13X. Solvents used for the preparation of m-cresol solution were found to influence the adsorption capacity. The adsorption capacity was maximum for the solution of m-cresol in n-hexane. Conventional Langmuir and Freundlich adsorption isotherm equations were used to explain the adsorption behavior. The kinetics of m-cresol adsorption followed the first-order Lagergren kinetic model. p-Cresol/m-cresol separation factor was the highest when toluene was used as the organic medium.
}, keywords = {Adsorption, cresol, zeolite, zinc-aluminium hydroxide}, issn = {0149-6395}, doi = {10.1080/01496395.2010.510494}, author = {Vijayakumar, J. and Chikkala, Suresh K. and Mandal, Sujata and Mayadevi, S.} } @article { ISI:000291436600019, title = {Alginic acid-g-poly(N-vinylformamide) graft copolymer: synthesis, characerization, swelling, and flocculation property}, journal = {Journal of Applied Polymer Science}, volume = {121}, number = {3}, year = {2011}, month = {AUG}, pages = {1400-1407}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
The graft copolymer of N-vinylformamide with alginic acid was synthesized by free radical polymerization using potassium peroxymonosulphate and thiourea as redox pair in inert atmosphere. The optimum conditions for maximum grafting have been determined by varying the concentrations of N-vinylformamide, potassium peroxymonosulphate, thiourea, sulfuric acid, alginic acid as well as time duration and temperature. The grafting parameters increase up to the certain concentrations of N-vinylformamide, potassium peroxymonosulhate, thiourea, and hydrogen ion while thereafter grafting parameters decrease. The effect of alginic acid concentration on grafting parameters has been observed to decrease continuously. It has also been found that grafting parameters increase up to certain time and temperature, respectively, and thereafter decrease. The swelling properties of graft copolymer in terms of swelling ratio and percent swelling are investigated. Flocculation property of pure and grafted sample for both coking and noncoking coals is also investigated for the treatment of coal mine waste water. The graft copolymer has been characterized by Fourier transform infrared spectroscopy as well as thermogravimetic analysis. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 121: 1400-1407, 2011
}, keywords = {alginic acid, flocculation, Graft copolymer, N-vinylformamide, swelling}, issn = {0021-8995}, doi = {10.1002/app.33540}, author = {Sand, Arpit and Yadav, Mithilesh and Mishra, Dinesh Kumar and Behari, Kunj} } @article { ISI:000292212700020, title = {Alkylation of anisole with 1-hexene and 1-hexanol over zeolite H-beta}, journal = {Reaction Kinetics Mechanisms and Catalysis}, volume = {103}, number = {2}, year = {2011}, month = {AUG}, pages = {481-491}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
An examination of the kinetics of the alkylation of anisole with 1-hexene and 1-hexanol to produce alkylates over zeolite H-beta is presented. Anisole alkylation is found to occur by a set of parallel reactions when hexene is used as the alkylating agent. When hexyl alcohol is the alkylating agent, the reaction follows a multi-step parallel-series mechanism to form monoalkylates and dihexylether. With 1-hexene, a group of isomeric alkylates, viz., ortho-2-hexyl anisole (2-OHA), ortho-3-hexyl anisole (3-OHA), para-2-hexyl anisole (2-PHA), and para-3-hexyl anisole (3-PHA) was obtained. With hexanol, the olefin (hexene) and dihexyl ether were obtained additionally. The influence of process parameters like temperature, catalyst quantity, and alkylating agent on reaction behavior is reported.
}, keywords = {Alkylation, Anisole, H-beta, Hexene, Hexyl alcohol}, issn = {1878-5190}, doi = {10.1007/s11144-011-0310-7}, author = {Surse, P. V. and Wagholikar, S. and Mayadevi, S. and Sivasanker, S.} } @article {42715, title = {Alkynyl and phosphonyl substituted nucleobases: a case of thermally induced conformational polymorphism}, journal = {Crystal Growth \& Design}, volume = {11}, year = {2011}, month = {APR}, pages = {2302{\textendash}2310}, abstract = {
Substituted nucleobases with alkynyl and phosphonyl groups were investigated in the context of supramolecular interactions and possible use toward synthesis of nucleoside phosphonic acids (NPAs). The adeninyl compound (adeninyl-N-9)-CH2CH2CH2CH2C=CH exhibits conformational polymorphism as revealed by X-ray structures determined at 200 and 298 K. Interestingly, in the compound (adeninyl-N-9)-(CH2)15CH3, the long aliphatic carbon chain does not show disorder. A rather unusual bending of alkyl chain, likely due to C{\textendash}H{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}O interactions, is observed in the case of the thymine compound (thyminyl)-CH2CH2CH2C=CH that possesses a terminal alkyne group. The powerful hydrogen bond acceptor property of the phosphoryl oxygen (P=O) does not perturb (unless assisted by other hydrogen bonding partners) the homo base-pairing in the structures of most of the phosphonyl substituted nucleobases studied.
}, doi = {10.1021/cg101737x}, author = {Swamy, K. C. Kumara and Allu, Srinivasarao and Srinivas, Venu and Balaraman, Ekambaram and Kumar, K. V. P. Pavan} } @article { ISI:000288825800026, title = {Alternative process for gasoline fuel processors}, journal = {International Journal of Hydrogen Energy}, volume = {36}, number = {3}, year = {2011}, month = {FEB}, pages = {2118-2127}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The article explores the thermodynamics of an alternate hydrogen generation process dry autothermal reforming and its comparison to autothermal reforming process of isooctane for use in gasoline fuel processors for SOFC. A thermodynamic analysis of isooctane as feed hydrocarbon for autothermal reforming and dry autothermal reforming processes for feed OCIR (oxygen to carbon in isooctane ratio) from 0.5 to 0.7 at 1 bar pressure under analogous thermoneutral operating conditions was done using Gibbs free energy minimization algorithm in HSC Chemistry. The trends in thermoneutral points (TNP), important product gas compositions at TNPs and fuel processor energy requirements were compared and analyzed. Dry autothermal reforming was identified as a less energy consuming alternative to autothermal reforming as the syngas can be produced with lower energy requirements at thermoneutral temperatures, making it a promising candidate for use in gasoline fuel processors to power the solid oxide fuel cells. The dry autothermal reforming process for syngas production can also be used for different fuels. (C) 2010 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Autothermal reforming, Dry autothermal reforming, hydrogen production, Isooctane reforming, Thermodynamic modeling}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2010.11.055}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D.} } @article { ISI:000286766600016, title = {Amino functionalized zeolitic tetrazolate framework (ZTF) with high capacity for storage of carbon dioxide}, journal = {Chemical Communications}, volume = {47}, number = {7}, year = {2011}, month = {JAN}, pages = {2011-2013}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A three dimensional -NH(2) functionalized Zeolitic Tetrazolate Framework (ZTF-1) has been reported. The framework adopts a dia topology (M-L-M angle is close to 156 degrees). ZTF-1 shows high CO(2) (273 K) and H(2) (77 K) uptake due to the presence of the free -NH(2) group and uncoordinated tetrazolate nitrogen.
}, issn = {1359-7345}, doi = {10.1039/c0cc04169f}, author = {Panda, Tamas and Pachfule, Pradip and Chen, Yifei and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000294572800023, title = {Antifungal activity of novel synthetic peptides by accumulation of reactive oxygen species (ROS) and disruption of cell wall against Candida albicans}, journal = {Peptides}, volume = {32}, number = {8}, year = {2011}, month = {AUG}, pages = {1732-1740}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
In the present work, we investigated the antifungal activity of two de novo designed, antimicrobial peptides VS2 and VS3, incorporating unnatural amino acid alpha,beta-dehydrophenylalanine (Delta Phe). We observed that the low-hemolytic peptides could irreversibly inhibit the growth of various Candida species and multidrug resistance strains at MIC(80) values ranging from 15.62 mu M to 250 mu M. Synergy experiments showed that MIC(80) of the peptides was drastically reduced in combination with an antifungal drug fluconazole. The dye PI uptake assay was used to demonstrate peptide induced cell membrane permeabilization. Intracellular localization of the FITC-labeled peptides in Candida albicans was studied by confocal microscopy and FACS. Killing kinetics, PI uptake assay, and the intracellular presence of FITC-peptides suggested that growth inhibition is not solely a consequence of increased membrane permeabilization. We showed that entry of the peptide in Candida cells resulted in accumulation of reactive oxygen species (ROS) leading to cell necrosis. Morphological alteration in Candida cells caused by the peptides was visualized by electron microscopy. We propose that de novo designed VS2 and VS3 peptides have multiple detrimental effects on target fungi, which ultimately result in cell wall disruption and killing. Therefore, these peptides represent a good template for further design and development as antifungal agents. (C) 2011 Elsevier Inc. All rights reserved.
}, keywords = {Antifungal peptides, Candida albicans, Cell wall, ROS}, issn = {0196-9781}, doi = {10.1016/j.peptides.2011.06.003}, author = {Maurya, Indresh Kumar and Pathak, Sarika and Sharma, Monika and Sanwal, Hina and Chaudhary, Preeti and Tupe, Santosh and Deshpande, Mukund V. and Chauhan, Virander Singh and Prasad, Rajendra} } @article { ISI:000293087200006, title = {Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone}, journal = {New Journal of Chemistry}, volume = {35}, number = {8}, year = {2011}, month = {MAY}, pages = {1615-1623}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Crystal engineering based on halogen bonding together with host-guest interactions of water molecules via H-bonding, stabilizing supramolecular architecture in chloro 1, bromo 2 and iodo 3 oximes of lawsone, is discussed. 1 and 2 crystallize in orthorhombic, non-centrosymmetric space group Pna2(1) while 3 crystallizes in monoclinic P2(1)/n space group. Non-covalent competitive interactions of asymmetric solvation and halogen bonding can have a large influence on the spin distribution in 1, 2 and 3 derivatives of spin carrier lawsone live polymer as revealed by single crystal X-ray and EPR studies. The significant C3-Cl/Br center dot center dot center dot O, C3-Cl/Br center dot center dot center dot H, O-H center dot center dot center dot O-C, C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions have been identified in the molecular assemblies leading to net magnetostructures of halo-oximes. Dimer-of-dimer-type tetrameric radical assembly of 3 and interacting bi- and monoradical chain on 2(1) axis in 1 and 2 have been identified. The proton-coupled electron transfers possibly govern the antioxidant nature in halooximes of spin carrier lawsone in terms of oxygen reduction to water molecules. Such activity is found to be directly proportional to the spin (radical) concentrations in 1 to 3 and increases in order 1 \< 2 \< 3 according to halogen bonding effect. The antioxidant chemical DPPH assays for scavenging of such free radicals result in similar trend of increasing order like 1 \< 2 \< 3, but the chemical in vitro as well as ex vivo SOD antioxidant activities and biological anticancer activity on MCF-7, Hela and HL-60 cell lines show the increasing order 3 \< 2 \< 1 according to H-bonding effect. This probably could be attributed to the conversion of superoxide radical ions into H(2)O(2), which leads to greater oxidative stress leading to apoptosis.
}, issn = {1144-0546}, doi = {10.1039/c1nj20176j}, author = {Zaware, Santosh B. and Gonnade, Rajesh G. and Srinivas, Darbha and Khan, Ayesha A. and Rane, Sandhya Y.} } @article { ISI:000291262700018, title = {Aromatic bromination of aldehydes and ketones using 1,3-di-n-butylimidazolium tribromide [BBIm]Br3 ionic liquids under solvent-free conditions}, journal = {Journal of the Iranian Chemical Society}, volume = {8}, number = {2}, year = {2011}, month = {JUN}, pages = {531-536}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
An environmentally benign and efficient process for the preparation of monobromo derivatives of aryl aldehydes and ketones was developed by simple and practical reactions of aryl aldehydes or ketones with 1,3-di-n-butylimidazolium tribromide ([BBIm]Br-3), as a brominating reagent under solvent-free conditions in very high yields. The process has several advantages: high conversions, short reaction time, mild reaction conditions, simple workup with good to quantitative yields and re-usable ionic liquid.
}, keywords = {Bromination, green chemistry, Ionic liquid, Solvent-free, [BBIm]Br-3}, issn = {1735-207X}, doi = {10.1007/BF03249087}, author = {Borikar, Sanjay P. and Daniel, Thomas} } @article { ISI:000292893300014, title = {Assembly of polyethyleneimine in the hexagonal mesophase of nonionic surfactant: effect of pH and temperature}, journal = {Journal of Physical Chemistry B}, volume = {115}, number = {29}, year = {2011}, month = {JUL}, pages = {9059-9069}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We investigate the dispersion of a pH responsive polymer, polyethyleneimine, PEI, in a hexagonal (H(1)) mesophase of a nonionic surfactant, C(12)E(9), and water, at pH ranging from basic (pH = 12.8) to acidic (pH = 1). While the C(12)E(9)/H(2)O phase behavior is independent of pH, we demonstrate that, in the PEI/C(12)E(9)/H(2)O system, changing the pH influences PEI-C(12)E(9) interactions, and thus, influences the isotropic-H(1) phase transition. With decrease in pH, there is increasing protonation of the PEI chain, and consequently, the chain extends. We show, using a combination of SAXs, optical microscopy and visual experiments, that the inclusion of PEI in a 1:1 surfactant water mixture, lowers the hexagonal-isotropic transition temperature, T. At higher pH = 12.8 T(HI) shows a pronounced decrease from SO to 13 degrees C on addition of PEI, and the PEI/C(12)E(9)/H(2)O system forms a transparent gel. At pH = 1, we observe qualitatively different behavior and an opaque gel forms below T(HI)= 25 degrees C. The isotropic-H(1) transition, in turn, influences the phase separation of PEI chains from the C(12)E(9)/H(2)O system. 2D NMR ROESY data provides evidence that there are strong surfactant PEI interactions at high pH that significantly reduce at lower pH. The NMR data is in accord with molecular dynamics simulations that show that surfactants strongly aggregate with unprotonated PEI chains, but not with fully protonated chains; thus, in this system, the pH controls a cascade of microstructural organization: increasing pH decreases chain protonation and increases polymer-surfactant interactions, resulting in suppression of the isotropic-H(1) transition to lower temperatures, thus, influencing the phase separation of PEI from the surfactant/water system.
}, issn = {1520-6106}, doi = {10.1021/jp202614x}, author = {Sharma, Kamendra P. and Choudhury, Chandan Kumar and Srivastava, Sonal and Davis, Hilda C. and Rajamohanan, P. R. and Roy, Sudip and Kumaraswamy, Guruswamy} } @article { ISI:000296414700021, title = {Assimilatory potential of helicoverpa armigera reared on host (chickpea) and nonhost (cassia tora) diets}, journal = {Journal of Proteome Research}, volume = {10}, number = {11}, year = {2011}, month = {NOV}, pages = {5128-5138}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Adaptation to plant allelochemicals is a crucial aspect of herbivore chemical ecology. To understand an insect ecology, we studied an effect of nonhost Cassia tora seed-based diet (Ct) on growth, development, and molecular responses in Helicoverpa armigera. We employed a comparative approach to investigate the proteomic differences in gut, hemolymph, and frass of H. armigera reared on a normal (chickpea seed-based, Cp) and Ct diet. In this study, a total of 46 proteins were identified by nano-LC-MS(E). Among them, 17 proteins were up-regulated and 29 proteins were down-regulated when larvae were exposed to the Ct diet. Database searches combined with GO analysis revealed that gut proteases engrossed in digestion, proteins crucial for immunity, adaptive responses to stress, and detoxification were down-regulated in the Ct fed larvae. Proteins identified in H. armigera hemolymph were found to be involved in defense mechanisms. Moreover, proteins found in frass of the Ct fed larvae were observed to participate in energy metabolism. Biochemical and quantitative real-time PCR analysis of selected candidate proteins showed differential gene expression patterns and corroborated with the proteomic data. Our results suggest that the Ct diet could alter expression of proteins related to digestion, absorption of nutrients, adaptation, defense mechanisms, and energy metabolism in H. armigera.
}, keywords = {adaptation, Cassia tora, Gene expression, Helicoverpa armigera, proteomics}, issn = {1535-3893}, doi = {10.1021/pr200591m}, author = {Dawkar, Vishal V. and Chikate, Yojana R. and Gupta, Vidya S. and Slade, Susan E. and Giri, Ashok P.} } @article { ISI:000288661500011, title = {Association between chemical and genetic variation in calophyllum inophyllum, a medicinally important tree of the Western Ghats of India}, journal = {Plant Systematics and Evolution}, volume = {292}, number = {3-4}, year = {2011}, month = {APR}, pages = {257-265}, publisher = {SPRINGER WIEN}, address = {SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA}, abstract = {
The objective of the present work is to study the chemical variation in Calophyllum inophyllum growing along the Western Ghats of India. Contents of dipyranocoumarins (inophyllums) in C. inophyllum were determined to assess whether they could be used as a taxonomic marker for C. inophyllum. This study also aims to establish inter simple sequence repeat (ISSR) markers that can be used to study genetic variation within the species and explore correlation between ISSR and chemical markers. The contents of dipyranocoumarins were estimated in seeds collected from 20 locations. Leaves from plants at the same 20 locations were assayed for ISSR variation. A dendrogram based on Nei{\textquoteright}s genetic distance as well as principal component analysis based on dipyranocoumarins and ISSR variation clustered plants from these 20 locations into three groups that indicated close relationship among ISSR, dipyranocoumarins contents, and geographical position (variation) of locations. Based on this study, two locations of elite plants were identified.
}, keywords = {Calophyllum inophyllum, Dendrogram, dipyranocoumarins, HPLC, ISSR, Principal component analysis, Western Ghats of India}, issn = {0378-2697}, doi = {10.1007/s00606-010-0409-8}, author = {Pawar, Kiran D. and Joshi, Swati P. and Thengane, Shubhada Ratnakar} } @article { ISI:000295113200015, title = {Asymmetric dihydroxylation route to (-)-bulgecinine}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {11}, year = {2011}, month = {JUN}, pages = {1234-1238}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The stereoselective synthesis of (-)-bulgecinine is reported from L-aspartic acid using Sharpless asymmetric dihydroxylation and intramolecular cyclization via nucleophilic displacement of alpha-tosylate as key steps. (C) 2011 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.06.018}, author = {Show, Krishanu and Upadhyay, Puspesh K. and Kumar, Pradeep} } @article { ISI:000296873900005, title = {Asymmetric first total syntheses and assignment of absolute configuration of oxazinin-5, oxazinin-6 and preoxazinin-7}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {23}, year = {2011}, month = {SEP}, pages = {7990-7992}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Asymmetric first total syntheses of the unprecedented toxins oxazinin-5, oxazinin-6 and preoxazinin-7 have been achieved from a common key intermediate 18, derived from a regiocontrolled Sharpless asymmetric aminohydroxylation and oxa-Michael reaction, which in addition to confirming the structure also established the absolute configuration of the natural products. On the way an expeditious synthesis of a metabolite bursatellin was completed in 8 steps.
}, issn = {1477-0520}, doi = {10.1039/c1ob06320k}, author = {Dethe, Dattatraya H. and Ranjan, Alok and Pardeshi, Vijendra H.} } @article { ISI:000286862200012, title = {Asymmetric total synthesis of (2S,3S)-3-hydroxypipecolic acid}, journal = {Tetrahedron Letters}, volume = {52}, number = {3}, year = {2011}, month = {JAN}, pages = {404-406}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A synthetic route to (2S,3S)-3-hydroxypipecolic acid was achieved from readily available nonchiral pool starting material cis-2-butene-1,4-diol and involved Claisen orthoester rearrangement, Sharpless asymmetric dihydroxylation and intramolecular lactamisation of azido lactone as the key steps. (C) 2010 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.11.062}, author = {Chavan, Subhash P. and Dumare, Nilesh B. and Harale, Kishor R. and Kalkote, Uttam R.} } @article { ISI:000292333103041, title = {Atomic level description of the domain closure in a dimeric enzyme: thermus thermophilus 3-isopropylmalate dehydrogenase (IPMDH)}, journal = {FEBS Journal}, volume = {278}, number = {1, SI}, year = {2011}, note = {36th FEBS Congress of the Biochemistry for Tomorrows Medicine, Torino, ITALY, JUN 25-30, 2011}, month = {JUN}, pages = {458}, publisher = {Federat Soc Biochem \& Mol Biol}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, issn = {1742-464X}, author = {Graczer, E. and Merli, Angelo and Singh, R. K. and Karuppasamy, Manikandan and Zavodszky, P. and Weiss, M. S. and Vas, M.} } @article { ISI:000289367200026, title = {Atomic level description of the domain closure in a dimeric enzyme: thermus thermophilus 3-isopropylmalate dehydrogenase}, journal = {Molecular Biosystems}, volume = {7}, number = {5}, year = {2011}, month = {MAR}, pages = {1646-1659}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The domain closure associated with the catalytic cycle is described at an atomic level, based on pairwise comparison of the X-ray structures of homodimeric Thermus thermophilus isopropylmalate dehydrogenase (IPMDH), and on their detailed molecular graphical analysis. The structures of the apo-form without substrate and in complex with the divalent metal-ion to 1.8 angstrom resolution, in complexes with both Mn(2+) and 3-isopropylmalate (IPM), as well as with both Mn(2+) and NADH, were determined at resolutions ranging from 2.0 to 2.5 angstrom. Single crystal microspectrophotometric measurements demonstrated the presence of a functionally competent protein conformation in the crystal grown in the presence of Mn(2+) and IPM. Structural comparison of the various complexes clearly revealed the relative movement of the two domains within each subunit and allowed the identification of two hinges at the interdomain region: hinge 1 between alpha d and beta F as well as hinge 2 between alpha h and beta E. A detailed analysis of the atomic contacts of the conserved amino acid side-chains suggests a possible operational mechanism of these molecular hinges upon the action of the substrates. The interactions of the protein with Mn(2+) and IPM are mainly responsible for the domain closure: upon binding into the cleft of the interdomain region, the substrate IPM induces a relative movement of the secondary structural elements beta E, beta F, beta G, alpha d and alpha h. A further special feature of the conformational change is the movement of the loop bearing the amino acid Tyr139 that precedes the interacting arm of the subunit. The tyrosyl ring rotates and moves by at least 5 angstrom upon IPM-binding. Thereby, new hydrophobic interactions are formed above the buried isopropyl-group of IPM. Domain closure is then completed only through subunit interactions: a loop of one subunit that is inserted into the interdomain cavity of the other subunit extends the area with the hydrophobic interactions, providing an example of the cooperativity between interdomain and intersubunit interactions.
}, issn = {1742-206X}, doi = {10.1039/c0mb00346h}, author = {Graczer, Eva and Merli, Angelo and Singh, Rajesh Kumar and Karuppasamy, Manikandan and Zavodszky, Peter and Weiss, Manfred S. and Vas, Maria} } @article {42570, title = {Auxin signaling and transport promote susceptibility to the root-infecting fungal pathogen fusarium oxysporum in arabidopsis}, journal = {Molecular Plant-Microbe Interactions}, volume = {24}, year = {2011}, month = {JUN}, pages = {733-748}, doi = {10.1094/MPMI-08-10-0194}, author = {Kidd, Brendan N. and Kadoo, Narendra Y. and Dombrecht, Bruno and Tekeoglu, Muecella and Gardiner, Donald M. and Thatcher, Louise F. and Aitken, Elizabeth A. B. and Schenk, Peer M. and Manners, John M. and Kazan, Kemal} } @article { ISI:000299148200039, title = {Azide derivatized anticancer agents of vitamin K-3: X-ray structural, DSC, resonance spectral and API studies}, journal = {Journal of Molecular Structure}, volume = {1006}, number = {1-3}, year = {2011}, month = {DEC}, pages = {288-296}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Compound 1 [1-imino (acetyl hydrazino)-Vitamin K-3], displays valence tautomerically related electronic isomers as Form land Form II. Form I exhibits 2D packing fragment with 1D ribbon chains of N-H center dot center dot center dot O hydrogen bonds and shows EPR silent features. While Form II is EPR active and exhibits biradical nature with double quantum transitions at g = 2.0040. H-1 NMR of compound 2, [1-imino (hydrazino carboxylate)-Vitamin K-3] and Form II exhibit pi delocalization via resonance assisted H-bonding [RAHB] effect compared to Form I. Molecular interactions in Form I and II are visualized by DSC. The electronic structures of compounds 1 and 2 have been correlated to their API values by measuring anticancer activities, mitochondrial potentials and DNA shearing patterns. Form II and compound 2 indicate mitochondria mediated apoptosis (similar to 75\% cell death) while Form I causes 35\% cell death. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Anticancer agents, API (Active Pharmaceutical Ingredients), Electronic isomers, RAHB (resonance assisted H-bonding), Vitamin K-3}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2011.09.022}, author = {Badave, Kirti D. and Patil, Yogesh and Gonnade, Rajesh G. and Srinivas, Darbha and Dasgupta, Rajan and Khan, Ayesha A. and Rane, Sandhya} } @article { ISI:000295890100006, title = {Bicyclic amino acid-carbohydrate-conjugates as conformationally restricted hydroxyethylamine (HEA) transition-state isosteres}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {21}, year = {2011}, month = {SEP}, pages = {7300-7302}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This communication describes a general synthetic route to bicyclic amino acid-carbohydrate-conjugates, which would be useful as conformationally restricted hydroxyethylamine (HEA) transition-state isosteres. The synthesis was achieved in 12 steps starting from D-glucose. The striking features of this system are the bicyclic rigid core displaying an a-amino acid side chain and hydroxyethylamine moiety - both of which would be potentially important for receptor interactions, leading to various biomedical responses, as described in the literature. Crystal structure investigation suggested extensive intermolecular hydrogen-bonding interactions in this system, involving the backbone amide and hydroxyl groups.
}, issn = {1477-0520}, doi = {10.1039/c1ob06215h}, author = {Kale, Sangram S. and Chavan, Sanjay T. and Sabharwal, Sushma G. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000297523700048, title = {Bidentate ligand-catalyzed enantioselective addition of RZnX to benzaldehyde}, journal = {Tetrahedron Letters}, volume = {52}, number = {48}, year = {2011}, month = {NOV}, pages = {6501-6503}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
{Enantioselective addition of RZnX (R = alkyl
}, keywords = {1, 2-Addition, Asymmetric synthesis, Chelating ligands, Organozinc}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.09.120}, author = {Jagtap, Ravindra S. and Joshi, Navalkishore N.} } @article { ISI:000292932100011, title = {Bioactivity of essential oils of zingiber officinalis and achyranthes aspera against mosquitoes}, journal = {Parasitology Research}, volume = {109}, number = {2}, year = {2011}, month = {AUG}, pages = {339-343}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Due to the global health problems associated with mosquito-borne diseases, over two million people primarily in the tropical countries are at risk. The widely and commonly used chemical method though effective, has some major disadvantages making insect control practically difficult. In view of the above, it is unavoidable to search for new molecules, which are eco-friendly, cheaper, and safer. The present study deals with evaluation of bioactive potential of two commonly occurring plants against mosquitoes presenting an alternative to the conventional chemical methods. Essential oils extracted by steam distillation from rhizome of Zingiber officinalis and leaf and stem of Achyranthes aspera were evaluated for larvicidal, attractant/repellent, and oviposition attractant/deterrent activity against two mosquito species viz. Aedes aegypti and Culex quinquefasciatus. The highest larvicidal activity, i.e., LC(50) = 154 ppm and LC(50) = 197 ppm for A. aegypti and C. quinquefasciatus, respectively was shown by Z. officinalis. This oil also offers 5-h protection at the concentration of 0.5 mg/cmA(2) from both mosquito species. The highest oviposition deterrence activity was exhibited by A. aspera stem oil, i.e., 100\% and 85.71\%, in case of A. aegypti and C. quinquefasciatus, respectively, at the concentration of 0.1\%. These results reveal that both these oils have control potential against A. aegypti and C. quinquefasciatus.
}, issn = {0932-0113}, doi = {10.1007/s00436-011-2261-3}, author = {Khandagle, Abhay J. and Tare, Vrushali S. and Raut, Kishor D. and Morey, Rashmi A.} } @article { ISI:000291879600008, title = {Biochemical characterisation of alpha-amylase inhibitors from achyranthes aspera and their interactions with digestive amylases of coleopteran and lepidopteran insects}, journal = {Journal of the Science of Food and Agriculture}, volume = {91}, number = {10}, year = {2011}, month = {AUG}, pages = {1773-1780}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
BACKGROUND: Starchy seeds are an important food and a source of dietary ingredients in many countries. However, they suffer from extensive predation by bruchids (weevils) and other pests. alpha-Amylase inhibitors are attractive candidates for the control of seed weevils, as these insects are highly dependent on starch as an energy source. RESULTS: A proteinaceous alpha-amylase inhibitor from the seeds of Achyranthes aspera was identified, purified and characterised. In electrophoretic analysis, two prominent amylase inhibitor activity bands (AI1 and AI2) were detected. The inhibitor was purified 9.99-fold with 1206.95 total amylase inhibitor units mg(-1) protein. The molecular weight of the purified inhibitor was around 6 kDa. The isolated alpha-amylase inhibitor was found to be resistant to heat and proteolysis. Feeding analysis of Callosobruchus maculatus larvae on a diet containing seed powder of A. aspera revealed that survival of the larvae was severely affected, with the highest mortality rate occurring on the fifth day of feeding. The isolated inhibitor inhibited the majority of amylase isoforms of C. maculatus, Tribolium confusum and Helicoverpa armigera in electrophoretic analysis and solution assays. CONCLUSION: The information obtained in the present investigation could be useful for a genetic engineering approach that would make seeds resistant to storage pest infestations. (C) 2011 Society of Chemical Industry
}, keywords = {Achyranthes aspera, Amylase inhibitors, amylases, Callosobruchus maculatus, Tribolium confusum}, issn = {0022-5142}, doi = {10.1002/jsfa.4380}, author = {Hivrale, Vandana K. and Chougule, Nanasaheb P. and Giri, Ashok P. and Chhabda, Pavan J. and Kachole, Andmanvendra S.} } @article { ISI:000293587300003, title = {Biocompatible gellan gum-reduced gold nanoparticles: cellular uptake and subacute oral toxicity studies}, journal = {Journal of Applied Toxicology}, volume = {31}, number = {5}, year = {2011}, month = {JUL}, pages = {411-420}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Currently gold nanoparticles are being explored for drug delivery and other biomedical applications; therefore it is necessary to study the fate of such nanoparticles inside the body. The objective of the present study was to investigate the cellular uptake and toxicity of the gold nanoparticles synthesized using a microbial polysaccharide, gellan gum, as a capping and reducing agent. The cellular uptake of gold nanoparticles was studied on mouse embryonic fibroblast cells, NIH3T3 and human glioma cell line, LN-229. The cellular uptake study indicated that the gellan gum-reduced gold nanoparticles were located in cancer cells (LN-229) while no uptake was observed in normal mouse embryonic fibroblast cells (NIH3T3). The toxicity of the gold nanoparticles was evaluated by carrying out subacute 28 day oral toxicity studies in rats. Subacute administration of gum-reduced gold nanoparticles to the rats did not show any hematological or biochemical abnormalities. The weight and normal architecture of various organs did not change compared with control. The current findings, while establishing the specific uptake of nanoparticles into cancerous cells, also demonstrates that the gellan gum-reduced gold nanoparticles are devoid of toxicity in animals following oral administration. Copyright (c) 2010 John Wiley \& Sons, Ltd.
}, keywords = {cell lines, cellular uptake, Gellan gum, gold nanoparticles, subacute toxicity}, issn = {0260-437X}, doi = {10.1002/jat.1595}, author = {Dhar, Sheetal and Mali, Vishal and Bodhankar, Subhash L. and Shiras, Anjali and Bhagavatula L. V. Prasad and Pokharkar, Varsha} } @article { ISI:000293288500001, title = {Biodiesel production from vegetable oils and animal fat over solid acid double-metal cyanide catalysts}, journal = {Catalysis Surveys from Asia}, volume = {15}, number = {3}, year = {2011}, month = {SEP}, pages = {145-160}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Biodiesel comprises of fatty acid alkyl esters prepared from vegetable oils or animal fat by esterification/transesterification with short-chain alcohols (methanol or ethanol, for example). It is a biodegradable renewable fuel. Its production is growing exponentially due to greater concerns about environmental protection and depletion of fossil fuel resources. Further, its production from non-edible oils and animal fat is more desirable than from edible oils due to lower cost of non-edible feedstocks and elimination of food verses fuel issues. Solid acid catalysts are ideal for conversion of such low-grade oils to biodiesel. Biodiesel from non-edible oils can be produced by two methods: (1) simultaneous esterification of fatty acids and transesterification of fatty acid glycerides and (2) hydrolysis of glycerides followed by esterification. This account reports the catalytic performance of solid, Fe-Zn double-metal cyanide (DMC) complexes and other acid catalysts in these transformations for biodiesel production. The factors influencing the catalytic performance of the solid acid catalysts in biodiesel production are discussed.
}, keywords = {Biodiesel, Double-metal cyanide, Esterification, Hydrolysis, solid acid catalysts, transesterification}, issn = {1571-1013}, doi = {10.1007/s10563-010-9108-2}, author = {Srinivas, Darbha and Satyarthi, Jitendra K.} } @article { ISI:000287428900016, title = {Bioethanol production from renewable polymer lichenan using lichenase from an alkalothermophilic thermomonospora sp and thermotolerant yeast}, journal = {Fuel Processing Technology}, volume = {92}, number = {3}, year = {2011}, month = {MAR}, pages = {401-406}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Biomass feedstocks available decentrally will be more commodious for localized biorefinery approach than the exhaustive large scale and centralized plants driven by cost intensive technology. Lichen is present in a wide range of habitats in a distributed manner. A maximum hydrolysis of 73\%-76\% for lichenan from Cetraria islandica, Usnea barbata and Parmelia sp. were obtained in 24 h using lichenase from an alkalothermophilic Thermomonospora sp. wherein the hydrolysis was 100\% with commercial enzyme Accellerase (TM) 1000. The synergistic role of beta-glucosidase in lichenan hydrolysis was demonstrated by the exogenous addition of beta-glucosidase to Thermomonospora lichenase which resulted in complete hydrolysis. The hydrolysates of lichenan obtained using Accellerase or a cocktail of Thermomonospora lichenase and beta-glucosidase when fermented with free cells of Saccharomyces at 40 degrees C produced an ethanol yield of 0.45 g/g-0.48 g/g with theoretical conversion efficiencies of 93\%-96\%. The Ca-alginate immobilized yeast cells were reused eight times at 40 degrees C with 100\% fermentation efficiency. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Ethanol, Hydrolysis, Lichenan, Lichenase, Synergism, Thermotolerant yeast}, issn = {0378-3820}, doi = {10.1016/j.fuproc.2010.10.001}, author = {Menon, Vishnu and Divate, Rupesh and Rao, Mala} } @article { ISI:000294678600026, title = {Biogenic synthesis of silver nanoparticles using nicotiana tobaccum leaf extract and study of their antibacterial effect}, journal = {African Journal of Biotechnology}, volume = {10}, number = {41}, year = {2011}, month = {AUG}, pages = {8122-8130}, publisher = {ACADEMIC JOURNALS}, address = {P O BOX 5170-00200 NAIROBI, VICTORIA ISLAND, LAGOS 73023, NIGERIA}, abstract = {
A green synthesis of silver nanoparticle was carried out using tobacco leaf extract. Synthesized nanoparticles were characterized using UV-Vis absorption spectroscopy, TEM, EDAX, FT-IR and photoluminescence study, respectively. UV-Vis absorption spectroscopy of prepared silver colloidal solution showed absorption maxima at 418 nm. Excitation maximum and emission maximum obtained from photoluminescence study were found at 414 and 576 nm, respectively. TEM analysis showed average particle size of 8 nm, while SAED pattern confirmed the crystalline nature of synthesized nanoparticles. FT-IR analysis indicated the involvement of carboxyl (-C = O), hydroxyl (-OH) and amine (-NH) functional groups of tobacco leaf extract in preparation of silver nanoparticles. EDAX analysis showed proportion of silver (54.55\%) among other elements in nanoparticle. Pseudomonas aeruginosa and Escherichia coli DH5 alpha showed highest sensitivity towards silver nanoparticles.
}, keywords = {FT-IR spectroscopy, photoluminescence, silver nanoparticles, Tobacco, UV-Vis absorption}, issn = {1684-5315}, author = {Prasad, Kumar Suranjit and Pathak, Darshit and Patel, Ankita and Dalwadi, Palak and Prasad, Ram and Patel, Pradip and Selvaraj, Kaliaperumal} } @article { ISI:000291335600078, title = {Biological control of cyanobacteria using polyphosphate accumulating bacteria isolated from activated sludge}, journal = {Journal of Pure and Applied Microbiology}, volume = {5}, number = {1}, year = {2011}, month = {APR}, pages = {469-471}, publisher = {DR M N KHAN}, address = {54, NEAR POST OFFICE, THANA ST, BHOPAL, SHAHJAHANABAD 462 001, INDIA}, abstract = {
Increased input of nutrients into water body leads to massive proliferation of cyanobacteria and other algae. This ultimately results in the eutrophication of the water body. The cyanobacterial blooms exert negative environmental impacts such as extensive growth of alga, bad odor, decline in dissolved oxygen, production of cyanotoxin, decreased growth of submerged aquatic organisms and change in taste of water. This results into reduction in qualitative and quantitative properties of water. Various chemical based methods of eutrophication control are suggested by researchers but those endanger the aquatic ecosystem. Considering hazardous effect of chemical agents, biological agents may be used more safely. Here we have shown that polyphosphate accumulating bacteria (PABs) isolated from activated sludge are efficient in reducing cyanobacterial blooms up to 95.56\% by trapping phosphorus in metapolyphosphate form. This is the first study that provides direct evidence that use of these microorganisms gives promising result in controlling cyanobacterial blooms and consequently eutrophication process without affecting the ecosystem of water body.
}, keywords = {Cyanobacterial blooms, Eutrophication, Metapolyphosphate accumulating bacteria}, issn = {0973-7510}, author = {Dudhane, Amol and Mhaindarkar, Vaibhav P.} } @article { ISI:000289455200019, title = {Biomimetic total syntheses of flinderoles B and C}, journal = {Journal of the American Chemical Society}, volume = {133}, number = {9}, year = {2011}, month = {MAR}, pages = {2864-2867}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A simple and efficient biomimetic synthesis of pyrrolo[1,2-a]indoles using a highly stereo- and regioselective [3 + 2] reaction cascade was developed and then further applied in the first total synthesis of flinderoles B and C, which proceeded in 17.2\% yield over the longest linear sequence of 11 steps.
}, issn = {0002-7863}, doi = {10.1021/ja1116974}, author = {Dethe, Dattatraya H. and Erande, Rohan D. and Ranjan, Alok} } @article {42767, title = {Bioresponsive mesoporous silica nanoparticles for triggered drug release}, journal = {Journal of the Americal Chemical Society}, volume = {133}, year = {2011}, month = {DEC}, pages = {19582-19585}, doi = {10.1021/ja206998x}, author = {Singh, Neetu and Karambelkar, Amrita and Gu, Luo and Lin, Kevin and Miller, Jordan S. and Chen, Christopher S. and Sailor, Michael J. and Bhatia, Sangeeta N.} } @article {42530, title = {Borazine as a sensor for fluoride ion: a computational and experimental study}, journal = {Tetrahedron Letters}, volume = {52}, year = {2011}, month = {MAY}, pages = {3636{\textendash}3639}, abstract = {
The computational and experimental studies have revealed that even simple molecule like borazine can act as a sensor for fluoride ions. This study further reported the various binding modes of analytes using quantum chemical calculations and the nature of such interactions have been examined using electron density surface analysis. Total charge transfer analysis (qCT) correlates well with the binding affinities of analytes with the borazine receptor.
}, doi = {10.1016/j.tetlet.2011.05.018}, author = {Kesharwani, Manoj K. and Suresh, Moorthy and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000287176600009, title = {Carbon nanotube-modified sodium dodecyl sulfate-polyacrylamide gel electrophoresis for molecular weight determination of proteins}, journal = {Analytical Biochemistry}, volume = {409}, number = {2}, year = {2011}, month = {FEB}, pages = {230-235}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The effect of incorporating carbon nanotubes (CNTs) in the gel matrix on the electrophoretic mobility of proteins based on their molecular weight differences was investigated using sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE). More specifically, a reduction in standard deviation in the molecular weight calibration plots by 55\% in the case of multiwalled carbon nanotubes (MWCNTs) and by 34\% in the case of single-walled carbon nanotubes (SWCNTs) compared with that of pristine polyacrylamide gels was achieved after incorporating an insignificant amount of functionalized CNTs into the gel matrix. A mechanism based on a more uniform pore size distribution in CNT modified polyacrylamide gel matrix is proposed. Furthermore, the impact of SWCNTs and MWCNTs on the mobility of proteins in different molecular weight regimes at a given acrylamide concentration offers a tunable gel matrix in terms of the selection of molecular weight ranges of proteins. The robustness and excellent reproducibility of the CNT-PAGE protocol are expected to have a significant impact on the molecular weight determination of newly isolated proteins. (C) 2010 Elsevier Inc. All rights reserved.
}, keywords = {Carbon nanotubes, Gel electrophoresis, Molecular weight determination, Polyacrylamide, Protein separation}, issn = {0003-2697}, doi = {10.1016/j.ab.2010.10.021}, author = {Parthasarathy, Meera and Debgupta, Joyashish and Kakade, Bhalchandra A. and Ansary, Abu Ayoobul and Khan, Mohammad Islam and Pillai, Vijayamohanan K.} } @article {42745, title = {Catalytic dehydroaromatization of n-alkanes by pincer-ligated iridium complexes}, journal = {Nature Chemistry}, volume = {3}, year = {2011}, month = {DEC}, pages = {167{\textendash}171}, abstract = {
Aromatic hydrocarbons are among the most important building blocks in the chemical industry. Benzene, toluene and xylenes are obtained from the high temperature thermolysis of alkanes. Higher alkylaromatics are generally derived from arene{\textendash}olefin coupling, which gives branched products{\textemdash}that is, secondary alkyl arenes{\textemdash}with olefins higher than ethylene. The dehydrogenation of acyclic alkanes to give alkylaromatics can be achieved using heterogeneous catalysts at high temperatures, but with low yields and low selectivity. We present here the first catalytic conversion of n-alkanes to alkylaromatics using homogeneous or molecular catalysts{\textemdash}specifically {\textquoteleft}pincer{\textquoteright}-ligated iridium complexes{\textemdash}and olefinic hydrogen acceptors. For example, the reaction of n-octane affords up to 86\% yield of aromatic product, primarily o-xylene and secondarily ethylbenzene. In the case of n-decane and n-dodecane, the resulting alkylarenes are exclusively unbranched (that is, n-alkyl-substituted), with selectivity for the corresponding o-(n-alkyl)toluene.
}, doi = {10.1038/nchem.946}, author = {Ahuja, Ritu and Punji, Benudhar and Findlater, Michael and Supplee, Carolyn and Schinski, William and Brookhart, Maurice and Goldman, Alan S.} } @article { ISI:000296527900089, title = {Ceria-zirconia mixed oxides as thermal resistant catalysts for the decomposition of nitrous oxide at high temperature}, journal = {Catalysis Today}, volume = {176}, number = {1}, year = {2011}, note = {2nd International Symposium on Air Pollution Abatement Catalysis (APAC), Cracow, POLAND, SEP 08-11, 2011}, month = {NOV}, pages = {453-457}, publisher = {French GDFSUEZ Co}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
This present study deals with the development of thermally stable catalysts for the decomposition of nitrous oxide. There is actually a growing interest to minimise the emissions of nitrous oxide (N(2)O) as side-product from nitric acid plants due to a global warming potential of approximately 300 times higher than that of CO(2). Different strategies have already been implemented at industrial scale but they are still suffering from significant drawbacks essentially associated to a poor selectivity and sometimes a short lifetime in particular when the catalytic process is inserted downstream the ammonia burner. In those critical conditions, with high residual temperature of similar to 900 degrees C, significant surface and bulk reconstructions take place and then lead to drastic losses of specific surface area and related catalytic performances in the decomposition of N(2)O to N(2). Previous investigations performed in our laboratory revealed the potentiality of zirconia particularly after yttria incorporation [Appl. Catal. B 62 (2005) 236]. Novel developments of more stable ceria-zirconia based catalysts are reported in this study. Further stabilisation and enhancement in activity have been discussed on the basis of oxygen mobility related to structural properties. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Ceria-zirconia based catalysts, Greenhouse gas, N(2)O catalytic decomposition, Nitric acid plant, Nitrous oxide}, issn = {0920-5861}, doi = {10.1016/j.cattod.2010.10.068}, author = {Esteves, P. and Wu, Y. and Dujardin, Christophe and Dongare, Mohan K. and Granger, P.} } @article { ISI:000292735200016, title = {CFD simulation of stirred tanks: comparison of turbulence models (Part II: axial flow impellers, multiple impellers and multiphase dispersions)}, journal = {Canadian Journal of Chemical Engineering}, volume = {89}, number = {4, SI}, year = {2011}, month = {AUG}, pages = {754-816}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
In the first part of the review, published literature regarding the CFD modelling of single-phase turbulent flow in stirred tank reactors with radial flow impellers was critically analysed. A brief overview of different turbulence models (standard k-epsilon model, RNG k-epsilon model, the Reynolds stress model and large eddy simulation) as well as impeller baffle interaction models has been presented in the previous part. This part is concerned with the review of literature regarding CFD simulation of axial flow impellers. Comprehensive simulations have been carried out using various turbulence models and the model predictions (of all the mean velocities, turbulent kinetic energy and its dissipation rate) have been compared with the experimental measurements at various locations in the tank. The strengths and weaknesses of various turbulence models for axial flow impellers is presented. The quantitative comparison of exact and modelled turbulence production, transport and dissipation terms has highlighted the reasons behind the partial success of various modifications of standard k-e model as well as Reynolds stress model. Literature efforts on multiple impeller systems and multiphase systems have been discussed in a separate section. Based on these results, suggestions have been made for the future work in this area.
}, keywords = {axial flow impellers, CFD, impeller models, stirred vessel, turbulence models}, issn = {0008-4034}, doi = {10.1002/cjce.20465}, author = {Joshi, Jyeshtharaj B. and Nere, Nandkishor K. and Rane, Chinmay V. and Murthy, B. N. and Mathpati, Channamallikarjun S. and Patwardhan, Ashwin W. and Ranade, Vivek V.} } @article { ISI:000287042800004, title = {CFD simulation of stirred tanks: comparison of turbulence models. part I: radial flow impellers}, journal = {Canadian Journal of Chemical Engineering}, volume = {89}, number = {1}, year = {2011}, month = {FEB}, pages = {23-82}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A critical review of the published literature regarding the computational fluid dynamics (CFD) modelling of single-phase turbulent flow in stirred tank reactors is presented. In this part of review, CFD simulations of radial flow impellers (mainly disc turbine (DT)) in a fully baffled vessel operating in a turbulent regime have been presented. Simulated results obtained with different impeller modelling approaches (impeller boundary condition, multiple reference frame, computational snap shot and the sliding mesh approaches) and different turbulence models (standard k-epsilon model, RNG k-epsilon model, the Reynolds stress model (RSM) and large eddy simulation) have been compared with the in-house laser Doppler anemometry (LDA) experimental data. In addition, recently proposed modifications to the standard k-epsilon models were also evaluated. The model predictions (of all the mean velocities, turbulent kinetic energy and its dissipation rate) have been compared with the experimental measurements at various locations in the tank. A discussion is presented to highlight strengths and weaknesses of currently used CFD models. A preliminary analysis of sensitivity of modelling assumptions in the k-epsilon models and RSM has been carried out using LES database. The quantitative comparison of exact and modelled turbulence production, transport and dissipation terms has highlighted the reasons behind the partial success of various modifications of standard k-epsilon model as well as RSM. The volume integral of predicted energy dissipation rate is compared with the energy input rate. Based on these results, suggestions have been made for the future work in this area.
}, keywords = {CFD, impeller models, k-epsilon models, LES, radial flow impellers, RSM, stirred vessel}, issn = {0008-4034}, doi = {10.1002/cjce.20446}, author = {Joshi, Jyeshtharaj B. and Nere, Nandkishor K. and Rane, Chinmay V. and Murthy, B. N. and Mathpati, Channamallikarjun S. and Patwardhan, Ashwin W. and Ranade, Vivek V.} } @article { ISI:000291194800039, title = {Characterisation of copolymer, poly (hydroxybutyrate-co-hydroxyvalerate) (PHB-co-PHV) produced by halomonas campisalis (MCM B-1027), its biodegradability and potential application}, journal = {Bioresource Technology}, volume = {102}, number = {11}, year = {2011}, month = {JUN}, pages = {6625-6628}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Characterisation of polyhydroxyalkanoate (PHA) film produced by haloalkalitolerant Halomonas campisalis (MCM B-1027) in 14 L SS fermenter revealed it to have composition of monomer units, HB:HV as 96:4 as analysed by (1)H NMR indicating the PHA as a co-polymer of PHB-co-PHV, molecular weight by gel permeation chromatography as 2.08 x 10(6), melting temperature 166.51 degrees C, tensile strength 18.8 MPa; two relaxations namely beta transition corresponding to the glass rubber transition and alpha transition corresponding to crystalline relaxation by Dynamic Mechanical Thermal analysis and only one relaxation corresponding to MWS interfacial polarisation with activation energy of 129 kJ/mol by broadband dielectric spectroscopy. Optical microscopic studies showed typical Maltese-cross pattern of spherulites. The PHA film was found to be biodegradable by standard ASTM method as well as by soil burial method. The leak proof polymer bags prepared from the film could be used as a packaging material. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Biodegradable polymer, Copolymer PHB-co-PHV, Dielectric relaxation spectroscopy, Dynamic mechanical analysis, Halomonas}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.03.054}, author = {Kulkarni, Snehal O. and Kanekar, Pradnya P. and Jog, Jyoti Prakash and Patil, Prashant A. and Nilegaonkar, Smita S. and Sarnaik, Seema S. and Kshirsagar, Pranav R.} } @article { ISI:000288483400033, title = {Characterization of surface acid sites in tin-silicalite-1 (Sn-MFI) molecular sieve by X-ray photoelectron spectroscopy}, journal = {Microporous and Mesoporous Materials}, volume = {141}, number = {1-3}, year = {2011}, month = {MAY}, pages = {236-240}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The nature, strength and density of surface acid sites in Sn-MFI molecular sieves with different Sn-content were characterized by N 1s high resolution photoelectron peak of chemisorbed pyridine in combination with pyridine-IR and TPAD. Two peaks emerged at 399.5 +/- 0.2 and 401.5 +/- 0.2 eV by deconvoluting composite N is peak were assigned to chemisorbed pyridine on weak and relatively strong Lewis acid sites, respectively. The relative percentage of strong Lewis acid sites was found to increase with the decrease of framework Sn content. A close agreement was observed between the ratios of weak Lewis acid sites to strong Lewis acid sites obtained from XPS and TPAD. (C) 2010 Elsevier Inc. All rights reserved.
}, keywords = {Lewis acidity, Pyridine chemisorption, SiO2/SnO2 molar ratio, Sn-MFI, XPS}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2010.10.036}, author = {Niphadkar, P. S. and Patil, K. R. and Joshi, P. N.} } @article { ISI:000288890800008, title = {Chemoenzymatic total synthesis of potent HIV RNase H inhibitor (-)-1,3,4,5-tetragalloylapiitol}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {2}, year = {2011}, month = {JAN}, pages = {173-177}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Starting from racemic dimethyl 2-acetoxy-3-methylenesuccinate, the chemoenzymatic facile total synthesis of (-)-1,3,4,5-tetragalloylapiitol has been demonstrated via an efficient lipase catalyzed resolution followed by a DIBAL reduction-double gallyolation, osmium tetroxide dihydroxylation-double gallyolation, and reductive global O-benzyl deprotection pathway. (C) 2010 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.11.032}, author = {Batwal, Ramesh U. and Patel, Ramesh M. and N. P. Argade} } @article { ISI:000296204100007, title = {Chlorate ion mediated rutile to anatase reverse phase transformation in the TiO2 nanosystem}, journal = {Dalton Transactions}, volume = {40}, number = {43}, year = {2011}, month = {SEP}, pages = {11374-11377}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Rutile TiO2 nanoneedles (8 nm x 100 nm) synthesized at room temperature by anodization in perchloric acid (pH \< 1) are shown to undergo an interesting reverse phase transformation to anatase nanoparticles (8 nm) at 300 degrees C only if the chlorate ions are maintained in the ambient medium. When chlorate ions are removed by multiple washing, the rutile phase and the needle morphology are maintained. The mechanism of formation of the ion-stabilized solid and its thermal evolution is discussed.
}, issn = {1477-9226}, doi = {10.1039/c1dt11288k}, author = {Bhosale, Reshma and Hyam, Rajeshkumar S. and Dhanya, P. and Ogale, Satishchandra B.} } @article { ISI:000286829500001, title = {Chromatographic separations of zinc, iron and copper metal ions through cellulose poroussolid fiber supported solid membrane in mixedsolvent systems}, journal = {Chemical Engineering Communications}, volume = {198}, number = {6}, year = {2011}, month = {JAN}, pages = {PII 932740676}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
An interesting aspect of chromatographic separation of zinc, iron, and copper metal ions through a cellulose porous solid fiber supported solid membrane from source solution to receiving phase has been explored in mixed solvent systems. The cellulose porous solid fiber supported solid membrane was prepared by chemically immobilizing tartaric acid. The experimental variables explored were concentration of copper, zinc, and iron metal ions, hydrochloric acid, composition of mixed solvents, and stirring speed. The efficiency of a cellulose porous solid fiber supported solid membrane system has been evaluated for the separation of metal ions. The pre-concentration of metal ions was carried out from the dilute solutions. The two-channel chromatographic cellulose porous solid fiber supported solid membrane system has been investigated for the transport of metal ions from the source solution to receiving phase. The capillary action phenomenon in the cellulose micro fibers plays a significant and active role in the transport of ions through the cellulose porous solid fiber supported solid membrane in mixed solvents.
}, keywords = {and iron ions: Single- and double-channel membrane system, Cellulose porous solid fiber supported solid membrane, Copper, zinc}, issn = {0098-6445}, doi = {10.1080/00986445.2011.534007}, author = {Gaikwad, Abaji G.} } @article { ISI:000284150200042, title = {Classification of Indian power coals using K-means clustering and self organizing map neural network}, journal = {Fuel}, volume = {90}, number = {1}, year = {2011}, month = {JAN}, pages = {339-347}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The present study reports results of the classification of Indian coals used in thermal power stations across India. For classifying these power coals a classical unsupervised clustering technique, namely {\textquoteleft}{\textquoteleft}K-Means Clustering{\textquoteright}{\textquoteright} and an artificial intelligence (AI) based nonlinear clustering formalism known as {\textquoteleft}{\textquoteleft}Self-Organizing Map (SOM){\textquoteright}{\textquoteright} have been used for the first time. To conduct the said classification, five coal descriptor variables namely moisture, ash, volatile matter, carbon and gross calorific value (GCV) have been used. The classification results thereof indicate that Indian power coals from different geographical origins can be classified optimally into seven classes. It has also been found that the K-means and SOM based classification results exhibit similarity in close to 75\% coal samples. Further, K-means and SOM based seven coal categories have been compared with as many grades of a commonly employed Useful Heat Value (UHV) based Indian non-coking coal grading system. Here, it was observed that a number of UHV-based grades exhibit similarity with the categories identified by the K-means and SOM methods. The classification of Indian power coals as provided here can be gainfully used in selecting application-specific coals as also in their grading and pricing. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Coal classification, Indian power coals, K-means clustering, Self-Organizing Map}, issn = {0016-2361}, doi = {10.1016/j.fuel.2010.09.012}, author = {Pandit, Yogesh P. and Badhe, Yogesh P. and Sharma, B. K. and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @article { ISI:000296273900010, title = {Click chemistry: 1,2,3-triazoles as pharmacophores}, journal = {Chemistry-an Asian Journal}, volume = {6}, number = {10, SI}, year = {2011}, month = {OCT}, pages = {2696-2718}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The copper(I)-catalyzed 1,2,3-triazole-forming reaction between azides and terminal alkynes has become the gold standard of {\textquoteleft}click chemistry{\textquoteright} due to its reliability, specificity, and biocompatibility. Applications of click chemistry are increasingly found in all aspects of drug discovery; they range from lead finding through combinatorial chemistry and target-templated in vitro chemistry, to proteomics and DNA research by using bioconjugation reactions. The triazole products are more than just passive linkers; they readily associate with biological targets, through hydrogen-bonding and dipole interactions. The present review will focus mainly on the recent literature for applications of this reaction in the field of medicinal chemistry, in particular on use of the 1,2,3-triazole moiety as pharmacophore.
}, keywords = {Click chemistry, Copper, Cycloaddition, pharmacophores, triazoles}, issn = {1861-4728}, doi = {10.1002/asia.201100432}, author = {Agalave, Sandip G. and Maujan, Suleman R. and Pore, Vandana S.} } @article { ISI:000286834600005, title = {Combined strategy for the dispersion/dissolution of single walled carbon nanotubes and cellulose in water}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {7}, year = {2011}, month = {JAN}, pages = {2054-2056}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Co-dispersion of native cellulose and single walled carbon nanotubes in water is demonstrated. The pH of the water should be between 6 and 10 for better dispersion. Raman spectra confirm debundling of nanotubes in water and FTIR spectra reveal that the co-solubility is likely caused through disruption of intramolecular hydrogen bonds in the cellulose by hydroxyl groups present on nanotubes surface and the creation of intermolecular hydrogen bonds between cellulose and carbon nanotubes. This is a very simple method for co-dispersion/dissolution of nanotubes and cellulose in water without covalent modifications and expands the repertoire of nanotube modification strategies that are amenable to biological applications.
}, issn = {0959-9428}, doi = {10.1039/c0jm03186k}, author = {Adsul, Mukund G. and Rey, Diego A. and Gokhale, Digambar V.} } @conference { ISI:000291982804665, title = {Combustion synthesis to incorporate nitrogen in ZnO and TiO2 and their applications in solar energy harvesting}, booktitle = { 241st National Meeting and Exposition of the American-Chemical-Society (ACS)}, volume = {241}, year = {2011}, note = {241st National Meeting and Exposition of the American-Chemical-Society (ACS), Anaheim, CA, MAR 27-31, 2011}, month = {MAR}, publisher = {American Chemical Society}, organization = {American Chemical Society}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, issn = {0065-7727}, author = {Chinnakonda, Gopinath S.} } @article { ISI:000297606200009, title = {Comparative and chemical proteomic approaches reveal gatifloxacin deregulates enzymes involved in glucose metabolism}, journal = {Journal of Toxicological Sciences}, volume = {36}, number = {6}, year = {2011}, month = {DEC}, pages = {787-796}, publisher = {JAPANESE SOC TOXICOLOGICAL SCIENCES}, address = {INTERNATIONAL MEDICAL INFORMATION CENTER, SHINANOMACHI RENGAKAN, 35 SHINANO-MACHI, SHINJUKU-KU, TOKYO, 160-0016, JAPAN}, abstract = {
Gatifloxacin has been associated with increased risks of hypoglycemic and hyperglycemic side effects. In order to understand the molecular mechanism of gatifloxacin induced deregulation of glucose metabolism, a Combination of comparative and chemical proteomic approaches were employed using yeast as a model system. Differential protein expression studies using two dimensional electrophoresis and mass spectrometry reveal that gatifloxacin deregulates the expression of key enzymes involved in glucose metabolism. Furthermore, affinity chromatography and LC-MSE analysis led to identification of enolase, as one of the key gatifloxacin binding proteins. Fluorescence spectrometric studies confirmed that the gatifloxacin indeed binds to enolase. Role of enolase in regulation of gatifloxacin induced dysglycemic effect is discussed.
}, keywords = {antibiotics, Differential protein expression, Fluoroquinolone, Glycolysis, Yeast}, issn = {0388-1350}, doi = {10.2131/jts.36.787}, author = {Suresh, Kesavan K. and Bhosale, Santosh D. and Thulasiram, Hirekodathakallu V. and Kulkarni, Mahesh J.} } @article { ISI:000292722900032, title = {Comparative behavior of CdS and CdSe quantum dots in poly (3-hexylthiophene) based nanocomposites (vol 41, pg 198, 2006)}, journal = {Materials Research Bulletin}, volume = {46}, number = {8}, year = {2011}, month = {AUG}, pages = {1321}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2011.04.020}, author = {Sonar, Prashant and Sreenivasan, K. P. and Maddanimath, Trupti and Vijayamohanan, K.} } @article {43255, title = {Comparative genomics of the pathogenic ciliate Ichthyophthirius multifiliis, its free-living relatives and a host species provide insights into adoption of a parasitic lifestyle and prospects for disease control}, journal = {Genome Biology}, volume = {12}, year = {2011}, month = {OCT}, pages = {Article Number: R100}, abstract = {Background: Ichthyophthirius multifiliis, commonly known as Ich, is a highly pathogenic ciliate responsible for {\textquoteright}white spot{\textquoteright}, a disease causing significant economic losses to the global aquaculture industry. Options for disease control are extremely limited, and Ich{\textquoteright}s obligate parasitic lifestyle makes experimental studies challenging. Unlike most well-studied protozoan parasites, Ich belongs to a phylum composed primarily of free-living members. Indeed, it is closely related to the model organism Tetrahymena thermophila. Genomic studies represent a promising strategy to reduce the impact of this disease and to understand the evolutionary transition to parasitism. Results: We report the sequencing, assembly and annotation of the Ich macronuclear genome. Compared with its free-living relative T. thermophila, the Ich genome is reduced approximately two-fold in length and gene density and three-fold in gene content. We analyzed in detail several gene classes with diverse functions in behavior, cellular function and host immunogenicity, including protein kinases, membrane transporters, proteases, surface antigens and cytoskeletal components and regulators. We also mapped by orthology Ich{\textquoteright}s metabolic pathways in comparison with other ciliates and a potential host organism, the zebrafish Danio rerio. Conclusions: Knowledge of the complete protein-coding and metabolic potential of Ich opens avenues for rational testing of therapeutic drugs that target functions essential to this parasite but not to its fish hosts. Also, a catalog of surface protein-encoding genes will facilitate development of more effective vaccines. The potential to use T. thermophila as a surrogate model offers promise toward controlling {\textquoteright}white spot{\textquoteright} disease and understanding the adaptation to a parasitic lifestyle.}, doi = {10.1186/gb-2011-12-10-r100}, author = {Coyne, Robert S. and Hannick, Linda and Shanmugam, Dhanasekaran and Hostetler, Jessica B. and Brami, Daniel and Joardar, Vinita S. and Johnson, Justin and Radune, Diana and Singh, Irtisha and Badger, Jonathan H. and Kumar, Ujjwal and Saier, Milton and Wang, Yufeng and Cai, Hong and Gu, Jianying and Mather, Michael W. and Vaidya, Akhil B. and Wilkes, David E. and Rajagopalan, Vidyalakshmi and Asai, David J. and Pearson, Chad G. and Findly, Robert C. and Dickerson, Harry W. and Wu, Martin and Martens, Cindy and Van de Peer, Yves and Roos, David S. and Cassidy-Hanley, Donna M. and Clark, Theodore G.} } @article { ISI:000291194800029, title = {Comparative production of cellulases by mutants of penicillium janthinellum NCIM 1171 and its application in hydrolysis of avicel and cellulose}, journal = {Bioresource Technology}, volume = {102}, number = {11}, year = {2011}, month = {JUN}, pages = {6569-6572}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Mutants of Penicillium janthinellum NCIM 1171 were evaluated for cellulase production using both submerged fermentation (SmF) and solid state fermentation (SSF). Mutant EU2D-21 gave highest yields of cellulases in both SmF and SSF. Hydrolysis of Avicel and cellulose were compared using SmF and SSF derived enzyme preparations obtained from EU2D-21. Surprisingly, the use of SSF derived preparation gave less hydrolysis compared to SmF derived enzymes. This may be due to inactivation of beta-glucosidase at 50 degrees C in SSF derived enzyme preparations. SmF derived enzyme preparations contained both thermostable and thermosensitive beta-glucosidases where as SSF derived enzyme preparations contained predominantly thermosensitive beta-glucosidase. This is the first report on less thermostability of SSF derived p-glucosidase which is the main reason for getting less hydrolysis. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {beta-Glucosidase thermostability, Mutant EU2D-21, Solid state fermentation, Submerged fermentation}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.01.014}, author = {Singhvi, M. S. and Adsul, Mukund G. and Gokhale, D. V.} } @article {42532, title = {Comparative study of porphyrin derivatives in monolayers at the air-water interface and in langmuir-blodgett films}, journal = {Thin Solid Films}, volume = {519}, year = {2011}, month = {MAR}, pages = {8066{\textendash}8073}, abstract = {
The orientation and aggregation of various porphyrin derivatives at the air{\textendash}water interface and in Langmuir{\textendash}Blodgett films were investigated. Monolayer properties of these molecules, where long alkyl chain(s) were covalently bound through different functionality of varying hydrophilicity were studied by measuring surface pressure area isotherms. Such derivatives, where ether functionality (functionalities) was (were) used for linking long alkyl chain(s), did not form uniform monolayer; instead they were found to form multilayer clusters or aggregates on the water surface. On the other hand, porphyrin derivative functionalized at the four peripheral phenyl rings with eight hexadecyl ether chains formed stable spherical vesicles when deposited on mica. Tetra N-alkyl pyridinium porphyrins with long alkyl chain were found to form various phases on the water surface. Evidence of transition from horizontal orientation to vertical orientation of porphyrin rings of porphyrin molecules having C14 chains was observed. This type of transition was lost with the porphyrin molecule with a relatively smaller chain (C8).
}, doi = {10.1016/j.tsf.2011.02.082}, author = {Ghosh, Amrita and Mahato, Prasenjit and Choudhury, Sipra and Das, Amitava} } @article { ISI:000296738500014, title = {Comparison of racemic epi-inosose and (-)-epi-inosose}, journal = {ACTA Crystallographica Section C-Crystal Structure Communications}, volume = {67}, number = {11}, year = {2011}, month = {NOV}, pages = {O435-O438}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
The conversion of myo-inositol to epi-inositol can be achieved by the hydride reduction of an intermediate epi-inosose derived from myo-inositol. (-)-epi-Inosose, (I), crystallized in the monoclinic space group P2(1), with two independent molecules in the asymmetric unit [Hosomi et al. (2000). Acta Cryst. C56, e584-e585]. On the other hand, (2RS,3SR,5SR,6SR)epi-inosose, C6H10O6, (II), crystallized in the orthorhombic space group Pca2(1). Interestingly, the conformation of the molecules in the two structures is nearly the same, the only difference being the orientation of the C-3 and C-4 hydroxy H atoms. As a result, the molecular organization achieved mainly through strong O-H center dot center dot center dot O hydrogen bonding in the racemic and homochiral lattices is similar. The compound also follows Wallach{\textquoteright}s rule, in that the racemic crystals are denser than the optically active form.
}, issn = {0108-2701}, doi = {10.1107/S0108270111039412}, author = {Krishnaswamy, Shobhana and Patil, Madhuri T. and Shashidhar, Mysore S.} } @article {42538, title = {Competitive binding of Ba2+and Sr2+ to 18-crown-6 in a receptor with a 1-methoxyanthraquinone analogue as the other binding site}, journal = {Europian Journal of Inorganic Chemistry}, year = {2011}, month = {OCT}, pages = {4680{\textendash}4690}, abstract = {
Owing to their immense biological significance, development of sensors for the selective detection of alkaline earth metal ions has attracted vast research interest. In this article we have reported the synthesis, characterisation and ion binding studies of a new RuII-polypyridyl-crown-anthraquinone complex (5). Studies confirm selective binding of BaII, SrII and CaII ions, with Kmath image \> Kmath image \>\> Kmath image, over all other metal ions, to the crown ether moiety and not to the methoxy anthraquinone component, the latter being the second binding site available and known for its affinity towards alkaline earth metal ions from one of our previous reports.
}, doi = {10.1002/ejic.201100472}, author = {Banerjee, Tanmay and Suresh, Moorthy and Ghosh, Hirendra N. and Das, Amitava} } @article { ISI:000293516200047, title = {Competitive wetting of acetonitrile and dichloromethane in comparison to that of water on functionalized carbon nanotube surfaces}, journal = {Physical Chemistry Chemical Physics}, volume = {13}, number = {32}, year = {2011}, month = {JUL}, pages = {14668-14674}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Differential wetting of pristine and ozonized carbon nanotubes has been studied using solvents like acetonitrile and dichloromethane in comparison to the well-known wetting behavior of water. Based on their unique structural and physical properties, functionalized CNT substrates have been used due to the fact that independent variation in molecular as well as electronic properties could be controlled by understanding the wetting of these liquids on carbon nanotubes (CNTs), both pristine as well as ozone treated. The sensitivity of the wetting behavior with respect to molecular interactions has been investigated using contact angle measurements while Raman and XPS studies unravel the differential wetting behavior. Charge-transfer between adsorbed molecules and CNTs has been identified to play a crucial role in determining the interfacial energies of these two liquids, especially in the case of acetonitrile. Ozone treatment has been observed to affect the surface properties of pristine CNTs along with a concomitant change in the wetting dynamics.
}, issn = {1463-9076}, doi = {10.1039/c1cp21121h}, author = {Debgupta, Joyashish and Kakade, Bhalchandra A. and Pillai, Vijayamohanan K.} } @article { ISI:000288045600024, title = {Composition-structure-property (Zn2+ and Ca2+ ion release) evaluation of Si-Na-Ca-Zn-Ce glasses: potential components for nerve guidance conduits}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {31}, number = {3}, year = {2011}, month = {APR}, pages = {669-676}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Bioactive glasses have demonstrated tailored therapeutic ion release, primarily with respect to the augmentation of hard tissues. However, controlled degradation and release of therapeutic ions from biomaterials may also play an important role in soft tissue regeneration such as repair of peripheral nerve discontinuities. In this study, three silica based glasses (0.5SiO(2)-0.2CaO-0.13ZnO-XNa2O-(0.17-X) CeO2) where, (0.04 \< X \< 0.14) were synthesised and characterised. The local environment of the Si-29 isotope was probed for each glass using Si-29 MAS-NMR, whilst the thermal characteristics of each glass were examined using DTA. Following these analyses, ion release profiles for Ca2+ and Zn2+ were evaluated; an equivalent specific surface area of 1 m(2) of each glass powder was incubated (37 degrees C) in 10 ml of citric acid buffer and TRIS-HCl buffer solution (pH 3.0 and pH 7.4 respectively) for incubation periods of up to 30 days. The Zn2+ concentration of each filtrate was analysed using flame Atomic Absorption Spectroscopy (Varian AA240FS Fast Sequential AAS) and the Ca2+ concentration of each filtrate was determined using Inductively Coupled Plasma-Mass Spectrometer (Varian 820 ICP-MS). Results obtained from the Si-29 MAS-NMR spectra indicated Q(2) structures pervading the network. An analytical model was proposed to analyse the ion release profiles for each glass, and indicated heterogeneous dissolution of glass networks. The ion release data demonstrates that ion release in the range (19.26-3130 ppm) for Ca2+ and in the range (5.97-4904 ppm) for Zn2+ occurred. Release of such elements, at appropriate levels, from peripheral nerve guidance conduits may be advantageous with respect to the repair of peripheral nerve discontinuities. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Bioglass, Dissolution, Modelling}, issn = {0928-4931}, doi = {10.1016/j.msec.2010.12.016}, author = {Zhang, X. F. and Kehoe, S. and Adhi, S. K. and Ajithkumar, Thalasseril G. and Moane, S. and O{\textquoteright}Shea, H. and Boyd, D.} } @conference { ISI:000299378301476, title = {Computer vision based chemical information extraction from digital images and streaming videos}, booktitle = {242nd National Meeting of the American-Chemical-Society (ACS)}, volume = {242}, year = {2011}, note = {242nd National Meeting of the American-Chemical-Society (ACS), Denver, CO, AUG 28-SEP 01, 2011}, month = {AUG}, publisher = {American-Chemical-Society (ACS)}, organization = {American-Chemical-Society (ACS)}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, issn = {0065-7727}, author = {Karthikeyan, Muthukumarasamy} } @article { ISI:000286862200021, title = {Concise enantioselective synthesis of (+)-goniodiol and (+)-8-methoxygoniodiol via Co-catalyzed HKR of anti-(2SR, 3RS)-3-methoxy-3-phenyl-1, 2-epoxypropane}, journal = {Tetrahedron Letters}, volume = {52}, number = {3}, year = {2011}, month = {JAN}, pages = {438-440}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short, enantioselective synthesis of (+)-goniodiol and (+)-8-methoxygoniodiol, cytotoxic styryllactones, has been achieved in high optical purities (99\% ee). The strategy employs Co-catalyzed HKR of racemic anti-(2SR, 3RS)-3-methoxy-3-phenyl-1,2-epoxypropane and Lewis acid-mediated diastereoselective allylation of aldehyde as chiral inducing key reactions. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Allylation, diastereoselectivity, Hydrolytic kinetic resolution, Racemic anti-epoxide, Styryllactones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.11.085}, author = {Kiran, I. N. Chaithanya and Reddy, R. Santhosh and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000293230300022, title = {Concurrent display of both alpha- and beta-turns in a model peptide}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {16}, year = {2011}, month = {MAY}, pages = {5762-5765}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This article describes a model peptide that concurrently displays both alpha- and beta-turns, as demonstrated by structural investigations using single crystal X-ray crystallography and solution-state NMR studies. The motif reported herein has the potential for the design of novel conformationally ordered synthetic oligomers with structural architectures distinct from those classically observed.
}, issn = {1477-0520}, doi = {10.1039/c1ob05553d}, author = {Srinivas, Deekonda and Vijayadas, Kuruppanthara N. and Gonnade, Rajesh G. and Phalgune, Usha D. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000291061500032, title = {Conformational transitions in ariesaema curvatum lectin: characterization of an acid induced active molten globule}, journal = {Journal of Fluorescence}, volume = {21}, number = {2}, year = {2011}, month = {MAR}, pages = {753-763}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Biophysical characterization of a lectin from Ariesaema curvatum (ACL) was carried out using steady state as well as time resolved fluorescence and CD spectroscopy under various denaturing conditions. An intermediate with altered tryptophan microenvironment was detected in the phase diagram, which exibited pronounced secondary structure and hemagglutinating activity in presence of 0.25 M Gdn-HCl. An acid induced molten- globule like structure possessing activity and higher thermostability was detected. Transition to the molten globule state was reversible in nature. The lectin retained hemagglutinating activity even after incubation at 95 A degrees C. Both chemical and thermal unfolding of the lectin were found to consist of multistate processes. Fluorescence quenching of ACL was strong with acrylamide and KI. The single tryptophan was found to be surrounded by high density of the positively charged amino acid residues as shown by a ten fold higher K(sv) for KI compared to that for CsCl. The average lifetime of tryptophan fluorescence increased from 1.24 ns in the native state to 1.72 ns in the denatured state.
}, keywords = {Araceae, Fluorescence lifetime, Hemagglutinin, Molten globule, Secondary structure, Thermostability, Unfolding}, issn = {1053-0509}, doi = {10.1007/s10895-010-0766-2}, author = {Sharma, Urvashi and Gaikwad, Sushama M. and Suresh, C. G. and Dhuna, Vikram and Singh, Jatinder and Kamboj, Sukhdev Singh} } @article { ISI:000285749800008, title = {Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {2}, year = {2011}, month = {NOV}, pages = {367-369}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This communication describes the development of conformationally constrained unnatural aromatic amino acids, constructed on rigid backbone wherein the carboxyl and amino groups project in two dimensions (planes) on the aromatic framework. Such a feature offers the possibility of design and development of conformationally ordered synthetic oligomers with intriguing structural architectures distinct from those classically observed. Furthermore, such amino acids will have the potential to extend the conformational space available for foldamer design with diverse backbone conformation and structural architectures.
}, issn = {1477-0520}, doi = {10.1039/c0ob00593b}, author = {Ramesh, Veera V. E. and Roy, Arup and Vijayadas, Kuruppanthara N. and Kendhale, Amol M. and Prabhakaran, Panchami and Gonnade, Rajesh G. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000287163000011, title = {Construction of the 5,10b-phenanthridine skeleton using [3+2]-cycloaddition of a non-stabilized azomethine ylide: total synthesis of (+/-)-maritidine and (+/-)-crinine alkaloids}, journal = {European Journal of Organic Chemistry}, number = {4}, year = {2011}, month = {FEB}, pages = {740-750}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Vicinal quaternary and tertiary stereocenters of the 5,10b-phenanthridine skeleton 1 are constructed simultaneously in one step by the [3+2]-cycloaddition of non-stabilized azomethine ylide 9, generated by sequential double desilylation of 10 utilizing silver(I) fluoride as a one-electron oxidant. The regioas well as stereochemical origin of this cycloaddition reaction is explained through a favorable transition state 9{\textquoteright}{\textquoteright}. The strategy is successfully applied for the total synthesis of the biologically active alkaloids (+/-)-maritidine (1a), (+/-)-crinine (1b), and their analogues (1d, 1e, and 1f).
}, keywords = {alkaloids, Azomethine ylides, Cycloaddition, Natural products, Ylides}, issn = {1434-193X}, doi = {10.1002/ejoc.201001263}, author = {Pandey, Ganesh and Gupta, Nishant R. and Gadre, Smita R.} } @article { ISI:000289764000056, title = {Control of competing hydrogenation of phenylhydroxylamine to aniline in a single-step hydrogenation of nitrobenzene to p-aminophenol }, journal = {Industrial \& Engineering Chemistry Research}, volume = {50}, number = {9}, year = {2011}, month = {MAY}, pages = {5478-5484}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Two steps involving catalytic hydrogenation of nitrobenzene to phenylhydroxylamine (PHA) in acid medium and its rearrangement to p-aminophenol (PAP) were studied separately in a batch reactor, using a well-characterized 3\% Pt/C catalyst. The first step of hydrogenation of nitrobenzene to PHA could be carried out at 303 K and a H(2) pressure of 0.69 MPa with complete conversion of nitrobenzene, while the achieved selectivity to PHA was higher than 90\% with some formation of aniline, even at lower temperature. The second step of PHA rearrangement to PAP could be achieved under a hydrogen atmosphere at elevated temperature of 353 K to give a maximum selectivity to PAP of 74\%.
}, issn = {0888-5885}, doi = {10.1021/ie102544a}, author = {Nadgeri, Jayprakash M. and Biradar, Narayan S. and Patil, Priyanka B. and Jadkar, Sachin T. and Garade, Ajit C. and Rode, Chandrashekhar V.} } @article { ISI:000291410900022, title = {Controlling stoichiometry in low temperature synthesis of La0.7Sr0.3MnO3 nanoparticles}, journal = {Advanced Science Letters}, volume = {4}, number = {2}, year = {2011}, month = {FEB}, pages = {424-430}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Nanoparticles of complex oxides (\<20 nm) are desirable for several applications in view of the diverse range of physical properties of such oxides. However the simultaneous presence of multiple cation precursors makes the corresponding chemical synthesis non-trivial with possible intermediate evolution of secondary phases. Such phases could react at high temperatures to form the desired stoichiometry, but this process is diffusion limited and can lead to larger particles. In this work we examine the role of three different reaction and growth controlling additives, namely dextran, citric acid and hexamine, on the synthesis of the well known colossal magneto-resistive (CMR) manganite La0.7Sr0.3MnO3. We demonstrate that phase evolutions differ significantly in the three cases, and the physical properties of the products also differ dramatically. Only dextran is shown to yield the desired phase with faceted nanoparticles at as low a temperature as 600 degrees C. A high saturation moment of similar to 47 emu/gm is realized at 10 K with a good square hysteresis loop. In 650 degrees C annealed sample, room temperature magnetization of similar to 15 emu/gm was obtained, which brings the nanoparticles in the applicability domain.
}, keywords = {Citric acid, Complex Oxide, Dextran, Hexamine, hydrothermal}, issn = {1936-6612}, doi = {10.1166/asl.2011.1230}, author = {Azarifar, Ali and Yadav, P. A. and Chawla, A. K. and Jog, Jyoti Prakash and Patil, S. I. and Chandra, Ramesh and Ogale, S. B.} } @article { ISI:000291899200004, title = {Convenient and efficient protocol for the synthesis of acylals catalyzed by bronsted acidic ionic liquids under ultrasonic irradiation}, journal = {Ultrasonics Sonochemistry}, volume = {18}, number = {5}, year = {2011}, month = {SEP}, pages = {928-931}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The synthesis of acylals (1,1-diacetates) via the reactions of aldehydes with acetic anhydride was carried Out in 85-97\% yields at room temperature under ultrasound irradiation catalyzed by the Bronsted acidic ionic liquid [bmpy]HSO(4). This method provides several advantages, such as solvent-free conditions, operational simplicity, higher yields, and reduced environmental consequences. The ionic liquid was recovered and reused. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {1, 1-Butyl-3-methylpyridinium hydrogen sulfate, 1-Diacetates, Acylals, Ionic liquid, Solvent-free, Ultrasonic irradiation}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2011.03.022}, author = {Borikar, Sanjay P. and Daniel, Thomas} } @article { ISI:000291139700014, title = {Convenient formal synthesis of (2S,3S)-3-hydroxy pipecolic acid}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {5}, year = {2011}, month = {MAR}, pages = {587-590}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A convenient synthesis of (2S,3S)-3-hydroxy pipecolic acid starting from inexpensive and easily available L-(+)-tartaric acid has been described. (C) 2011 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.02.023}, author = {Chavan, Subhash P. and Harale, Kishor R. and Dumare, Nilesh B. and Kalkote, Uttam R.} } @article {43237, title = {Correction to what drives the redox properties of model green fluorescence protein chromophores?}, journal = {Journal of Physical Chemistry Letters}, volume = {2}, year = {2011}, month = {OCT}, pages = {2695{\textendash}2695}, chapter = {q}, abstract = {
We report the first experimental determination of the oxidation potentials E-ox(0). (relative to the standard hydrogen electrode, SHE) of model green fluorescent protein (GFP) chromophores. Para-, meta, and ortho-hydroxy (4-hydroxybenzylidene-2,3-dimethylimidazolinone, HBDI) and methoxy (MeOBDI) derivatives were studied. E-ox(0) of the three isomers in acetonitrile are -1.31, -1.52, and -1.39 V, respectively. Electronic structure calculations reproduce the observed differences between the isomers and reveal that E-ox(0) follows the ionization energies (IEs), that is, p-MeOBDI has the lowest IE (6.96 eV in the gas phase) due to resonance stabilization of its cation, whereas the resonance is detuned in m-MeOBDL resulting in more-negative E-ox(0). The observed meta and ortho effects in E-ox(0) are similar to the trends in pK(a). The effect of increased solvent polarity on absolute.E-ox(0) (and especially on para-meta-ortho differences) was found to be small. The redox properties of GFP chromophores are driven by their structure and can be correlated with IEs, which can be exploited in predicting the properties of other fluorescent protein chromophores.
}, doi = {10.1021/jz201353v}, author = {Solntsev, Kyril M. and Ghosh, Debashree and Amador, Adrian and Josowicz, Mira and Krylov, Anna I.} } @article { ISI:000288517400019, title = {Correlation of architecture with excimer emission in 100\% pyrene-labeled self-assembled polymers}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {49}, number = {7}, year = {2011}, month = {APR}, pages = {1678-1690}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Pyrene was incorporated as pendant unit to side-chain urethane methacrylate polymers having a short ethyleneoxy or a long polyethyleneoxy spacer segment. The short-spacer pyrene urethane methacrylate was also incorporated either as block or random copolymer (1:9) along with polystyrene. The excimer emission was observed to be different for different polymers with the random copolymer exhibiting the lowest efficiency. But, the total quantum yield was highest (phi = 0.58) for random copolymer due to the high emission coefficient of monomer compared to that of excimer. The polymer dynamics were compared by steady state emission and fluorescence decay in THF or THF/water (9:1) solvent mixture and films. The solid state decay profile showed decay without a rise time indicating presence of ground state aggregates. In THF/water (9:1), the decay profile at the excimer emission (500 nm) showed a rise time indicating dynamic excimers. The evolution of excimeric emission centred similar to 430 or similar to 480 nm as a function of temperature was also studied in THF/water (9:1). The I(E)/I(M) ratio for the lambda(343) nm excitation exhibited steady increase with temperature with the block copolymer PS-b-PIHP exhibiting the highest ratio and highest rate of increase; whereas, the random copolymer PS-r-PIHP had the lowest I(E)/I(M) ratios. (C) 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 49: 1678-1690, 2011
}, keywords = {I(E)/I(M) ratio, Morphology, pyrene, Self-assembly, structure-property relations, time-resolved and variable temperature fluorescence}, issn = {0887-624X}, doi = {10.1002/pola.24596}, author = {Kaushlendra, K. and Deepak, V. D. and Asha, S. K.} } @article { ISI:000294701300010, title = {Cosolvent-directed diels-alder reaction in ionic liquids}, journal = {Journal of Physical Chemistry A}, volume = {115}, number = {36}, year = {2011}, month = {SEP}, pages = {10211-10217}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The rate constants of a bimolecular Diels-Alder reaction in binary mixtures of ionic liquids prepared in molecular solvents were analyzed to investigate the effect of viscosity of the medium and solvent effect. In this connection, we have carried out the Diels-Alder reaction of anthracene 9-carbinol with N-ethyl maleimide in binary mixtures of pyridinium-based ionic liquids, 1-butyl-pyridinium tetrafluoroborate, 1-buty1-3-pyridinium tetrafluoroborate, and 1-butyl-4-methyl pyridinium tetrafluoroborate in water, methanol, and chloroform at 298.15 K. The rates of reaction decreased, caused by gradually increasing the volume fraction of ionic liquids in solvents for all three ionic liquids. The kinetic results demonstrate a successful application of the pairwise interaction model built upon the concept of enforced hydrophobic hydration. A temperature-dependent study of kinetics of the Diels-Alder reaction was carried out in the binary mixtures of ionic liquids in water and was explained by the entropy-enthalpy compensation effect based upon activation parameters. Kinetics of the Diels-Alder reaction in highly aqueous medium was noted to be entropically driven.
}, issn = {1089-5639}, doi = {10.1021/jp205181e}, author = {Khupse, Nageshwar D. and Kumar, Anil} } @article { ISI:000293403000001, title = {Crucial role of ocean-atmosphere coupling on the Indian monsoon anomalous response during dipole events}, journal = {Climate Dynamics}, volume = {37}, number = {1-2}, year = {2011}, month = {JUL}, pages = {1-17}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
This paper examines an issue concerning the simulation of anomalously wet Indian summer monsoons like 1994 which co-occurred with strong positive Indian Ocean Dipole (IOD) conditions in the tropical Indian Ocean. Contrary to observations it has been noticed that standalone atmospheric general circulation models (AGCM) forced with observed SST boundary condition, consistently depicted a decrease of the summer monsoon rainfall during 1994 over the Indian region. Given the ocean-atmosphere coupling during IOD events, we have examined whether the failure of standalone AGCM simulations in capturing wet Indian monsoons like 1994 can be remedied by including a simple form of coupling that allows the monsoon circulation to dynamically interact with the IOD anomalies. With this view, we have performed a suite of simulations by coupling an AGCM to a slab-ocean model with spatially varying mixed-layer-depth (MLD) specified from observations for the 1994 IOD; as well as four other cases (1983, 1997, 2006, 2007). The specification of spatially varying MLD from observations allows us to constrain the model to observed IOD conditions. It is seen that the inclusion of coupling significantly improves the large-scale circulation response by strengthening the monsoon cross-equatorial flow; leading to precipitation enhancement over the subcontinent and rainfall decrease over south-eastern tropical Indian Ocean-in a manner broadly consistent with observations. A plausible physical mechanism is suggested to explain the monsoonal response in the coupled frame-work. These results warrant the need for improved monsoon simulations with fully coupled models to be able to better capture the observed monsoon interannual variability.
}, keywords = {Anomalous wet Indian monsoons, Indian ocean dipole, Numerical simulation, Ocean-atmosphere coupling}, issn = {0930-7575}, doi = {10.1007/s00382-010-0830-2}, author = {Krishnan, R. and Sundaram, Suchithra and Swapna, P. and Kumar, Vinay and Ayantika, D. C. and Mujumdar, M.} } @article {42714, title = {Cyclodiphosph(III)azane chemistry {\textendash} ylides from the reaction of [(RNH)P-N(t-Bu)]2 [R = t-Bu, i-Pr] with dimethyl maleate and chiral ansa-type derivatives from reaction of [ClP-N(t-Bu)]2 with a substituted BINOL}, journal = {Inorganica Chimica Acta}, volume = {372}, year = {2011}, month = {JUN}, pages = {374{\textendash}382}, abstract = {
Use of a simple inorganic ring system with the cyclodiphosph(III)azane skeleton [e.g. [(RNH)P-N(t-Bu)]2 [R = t-Bu (7), i-Pr (8)] to probe some of the intermediates proposed in phosphine mediated organic reactions is highlighted. Thus the reaction of 7{\textendash}8 with the allenylphosphine oxide Ph2P(O)C(Ph)double bond; length as m-dashCdouble bond; length as m-dashCH2 (9) affords the phosphinimines [(RNH)P(μ-N-t-Bu)2P(double bond; length as m-dashN-R)-C(double bond; length as m-dashCH2)CH(Ph)-P(O)Ph2] [R = t-Bu (10), i-Pr (11)], while a similar reaction of 7{\textendash}8 with dimethyl maleate (or dimethyl fumarate) affords the ylides [(RNH)P(μ-N-t-Bu)2P(NH-R)double bond; length as m-dashC(CO2Me)-CH2(CO2Me) [R = t-Bu (18), i-Pr (19)]. The implication of such reactions on phosphine mediated organic transformations including Morita{\textendash}Baylis{\textendash}Hillman reaction is mentioned. In a rather rare type of situation, an unusually long phosphoryl (Pdouble bond; length as m-dashO) bond [1.538 (5) {\r A}] as revealed the X-ray structure of {(R)-6,6'-(t-Bu)2-1,1'-(C10H5)2-2,2'-O2-}{P(O)(N-t-Bu)2-P(Se)} (27) is rationalized by means of crystallographic disorder in packing after comparing the data with that in the literature and {1,1'-(C10H6)2-2,2'-O2}{P(Se)(N-t-Bu)2-P(Se)} (29). X-ray structures of the new compounds 10{\textendash}11, 18{\textendash}19, 27 and 29 are discussed. Compound 10 crystallizes in the chiral space group Pca2(1) with (S)-chirality at the carbon center [{\textendash}C(double bond; length as m-dashCH2)CH(Ph)-P] suggesting a case of spontaneous resolution through crystallization.
}, doi = {10.1016/j.ica.2010.12.072}, author = {Swamy, K.C. Kumara and Gangadhararao, G. and Srinivas, Venu and Kumar, N. N. Bhuvan and Balaraman, Ekambaram and Chakravarty, Manab} } @article { ISI:000290409100009, title = {Cyclopropyl methyl bromide-mediated gem-diallylation: total synthesis of (+/-)-alpha-cuparenone}, journal = {Synthetic Communications}, volume = {41}, number = {13}, year = {2011}, month = {JAN}, pages = {PII 937139047}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
[image omitted] The total synthesis of (+/-){\textendash}cuparenone, an aromatic sesquiterpene, has been described using the radical mediated gem-diallylation of substituted cyclopropyl methylbromide followed by ring-closing metathesis approach.
}, keywords = {Aromatic sesquiterpene, gem-diallylation, Ring-closing metathesis}, issn = {0039-7911}, doi = {10.1080/00397911.2010.494812}, author = {Shivakumar, I. and Salunke, Ganesh B. and Kumar, Suneel} } @article { ISI:000287363500022, title = {Cytotoxicity of sophorolipid-gellan gum-gold nanoparticle conjugates and their doxorubicin loaded derivatives towards human glioma and human glioma stem cell lines}, journal = {Nanoscale}, volume = {3}, number = {2}, year = {2011}, month = {JAN}, pages = {575-580}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Biocompatible gold nanoparticles were synthesized by using a naturally occurring gum-Gellan Gum-as a capping and reducing agent. These were further conjugated with sophorolipids which again were accessed through a biochemical transformation of a fatty acid. The cellular uptake of sophorolipid-conjugated gellan gum reduced gold nanoparticles and their cytotoxicity on human glioma cell line LN-229 and human glioma stem cell line HNGC-2 were investigated. Quite surprisingly even the simple sophorolipid-conjugated gellan gum reduced/capped gold nanoparticles showed greater efficacy in killing the glioma cell lines and, gratifyingly, the glioma stem cell lines also. The cytotoxic effects became more prominent once the anti cancer drug doxorubicin hydrochloride was also conjugated to these gold nanoparticles.
}, issn = {2040-3364}, doi = {10.1039/c0nr00598c}, author = {Dhar, Sheetal and Reddy, E. Maheswara and Prabhune, Asmita and Pokharkar, Varsha and Shiras, Anjali and Bhagavatula L. V. Prasad} } @article { ISI:000286904800076, title = {Degradation of methylene blue via photocatalysis of transition metal-loaded sulfated TiO2}, journal = {Materials Chemistry and Physics}, volume = {125}, number = {3}, year = {2011}, month = {FEB}, pages = {807-812}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Transition metal-loaded nanocrystalline SO42-/TiO2 powders were prepared by sol-gel method. Anatase is found as the active phase in all the samples. Sulfation process clearly stabilizes TiO2 catalyst phase against sintering, maintaining anatase phase and relatively high surface area values with respect to pure TiO2. Wide structural and surface characterization of samples was carried out in order to establish a correlation between the effect of sulfation and metal incorporation on the TiO2 photocatalytic properties. The maximum photocatalytic decomposition of methylene blue solution was achieved with sulfation of TiO2. In addition, incorporation of metal into the structure of SO42-/TiO2 seems to enhance the photocatalytic activity of the samples, which is ascribed to the enlargement of specific surface area, photogenerated carriers separation, light absorption, as well as the higher surface acidity. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {nanomaterial, Photocatalytic activity, sol-gel process}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2010.09.053}, author = {Gambhire, A. B. and Lande, Machhindra K. and Arbad, B. R. and Rathod, S. B. and Gholap, Ramkrishna S. and Patil, K. R.} } @article { ISI:000293637800009, title = {Degradation of tannic acid by cold-adapted klebsiella sp NACASA1 and phytotoxicity assessment of tannic acid and its degradation products}, journal = {Environmental Science and Pollution Research}, volume = {18}, number = {7}, year = {2011}, month = {AUG}, pages = {1129-1138}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
The focus of the present study is to know the potential of bacterial isolate for tannic acid degradation at low temperature. Also, we tried to evaluate the suitability of phytotoxicity testing protocol for the determination of tannic acid toxicity. Screening for tannic acid degrading bacterial strains was carried out by using microbial isolation techniques. The 16S rDNA amplicon of the isolate was used to identify the isolate. The effect of different concentrations of tannic acid and its degradation products on germination of Vigna unguiculata was evaluated. The study was carried out to determine total sugar and starch content of the used seeds and even to check the presence of alpha-amylase activity during seed germination. The isolated bacterium was identified as Klebsiella sp NACASA1 and it showed degradation of tannic acid in 40 (+/- 0.85***) h at 15A degrees C and pH 7.0. A gradual decrease in root/shoot length was observed with increasing concentration of tannic acid. There was 95.11 (+/- 0.24**)\% inhibition in alpha-amylase activity at 20,000 ppm tannic acid, as compared to control. No such effects were observed on germination, root-shoot length, and alpha-amylase activity with tannic acid degradation products. The results obtained confirmed that tannic acid may act as a toxic agent in plant cells. The simple biodegradation process presented in this study was found to be effective in reducing toxicity of tannic acid. Also, it reveals the potential of soil bacterium to degrade tannic acid at low temperature.
}, keywords = {Cold-adapted bacterium, Phytotoxicity, Tannic acid degradation}, issn = {0944-1344}, doi = {10.1007/s11356-011-0468-6}, author = {Jadhav, Umesh and Kadu, Sudhir and Thokal, Nilesh and Padul, Manohar and Dawkar, Vishal V. and Chougale, Ashok D. and Salve, Abhay and Patil, Manoj} } @article { ISI:000286639500014, title = {Delineating solute-solvent interactions in binary mixtures of ionic liquids in molecular solvents and preferential solvation approach}, journal = {Journal of Physical Chemistry B}, volume = {115}, number = {4}, year = {2011}, month = {FEB}, pages = {711-718}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The effect of solute-solvent and solvent-solvent interactions on the preferential solvation of solvatochromic indicators in binary mixtures of ionic liquids with molecular solvents has been investigated. The binary mixtures of the pyridinium-based ionic liquids 1-butylpyridinium tetrafluoroborate ([BP][BF4]), 1-butyl-3-methylpyridinium tetrafluoroborate ([3-MBP][BF4]), and 1-butyl-4-methylpyridinium tetrafluoroborate ([4-MBP][BF4]) with molecular solvents like water, methanol, and dichloromethane have been selected for this investigation. The effect of addition of ionic liquids to molecular solvents on the polarity parameters E-T(N), Kamlet-Taft parameters, hydrogen bond donor ability (HBD) (alpha), hydrogen bond acceptor ability (HBA) (beta), and polarizability (pi*) was obtained. The polarity parameters of the mixture display nonideality on addition of ionic liquids to water and dichloromethane. On the other hand, strong synergetic effects were seen in the ionic liquid-methanol binary mixtures. The preferential solvation models have been employed to analyze the collected data in order to achieve information on solute-solvent interactions in these binary mixtures.
}, issn = {1520-6106}, doi = {10.1021/jp110040a}, author = {Khupse, Nageshwar D. and Kumar, Anil} } @article { ISI:000295275200035, title = {Design and in situ synthesis of a Cu-based porous framework featuring isolated double chain magnetic character}, journal = {Chemical Communications}, volume = {47}, number = {39}, year = {2011}, month = {SEP}, pages = {11008-11010}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A Cu-based double chain MOF was synthesized in hydrothermal conditions using an in situ ligand formation method. This double chain MOF shows temperature dependent ferromagnetic (long range ordering) and antiferromagnetic (intra double chain) coupling. The magnetic behaviour originating from the individual double chain remains almost same even after structural collapse due to the removal of guest water molecules.
}, issn = {1359-7345}, doi = {10.1039/c1cc13418c}, author = {Dey, Chandan and Das, Raja and Saha, Binoy Krishna and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000296752300019, title = {Design, synthesis and biological evaluation of peptidyl-vinylaminophosphonates as novel cysteine protease inhibitors}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {19}, number = {23}, year = {2011}, month = {DEC}, pages = {7129-7135}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We report herein, design and synthesis of vinylaminophosphonates, a novel class of compounds as possible cysteine protease inhibitors. The synthesis of vinylaminophosphonates has been accomplished employing Tsuji-Trost reaction as a key step. The synthesized compounds were assayed against papain, a model cysteine protease and some of our synthesized compounds showed IC50 values in the range of 30-54 mu M thereby suggesting that these chemical entities thus could constitute an interesting template for the design of potential novel protease inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Cysteine, Inhibitor design, Protease inhibitors, synthesis, Tsuji-Trost reaction, Vinylaminophosphonates}, issn = {0968-0896}, doi = {10.1016/j.bmc.2011.09.058}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C.} } @article { ISI:000295300600009, title = {Determination of organic acid impurities in lactic acid obtained by fermentation of sugarcane juice}, journal = {Journal of Chromatography A}, volume = {1218}, number = {40}, year = {2011}, month = {OCT}, pages = {7147-7157}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Lactic acid produced by fermentation process mostly contains a number of aliphatic carboxylic acids as impurities. In this work, carboxylic acid impurities in lactic acid samples from a number of sources were determined at ppm levels. A simple HPLC method was developed that utilized a new generation polar embedded reverse phase, 20 mM phosphate buffer at pH 2.20 (+/- 0.05) and UV detection at 210 nm. The method enabled quantitative analysis of the above acids in lactic acid matrix. The experimental conditions for column temperature, mobile phase pH and flow rate were optimized. A detailed validation of the method was performed for linearity, precision, accuracy, selectivity, limit of detection (LOD), limit of quantitation (LOQ), ruggedness and repeatability and reproducibility (R\&R). (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Lactic acid, Method validation, Organic acid impurities, Polar embedded RP-HPLC, Sugarcane juice fermentation}, issn = {0021-9673}, doi = {10.1016/j.chroma.2011.08.025}, author = {Qureshi, Mohd Shadbar and Bhongale, Sunil Sitaram and Thorave, Archana K.} } @article { ISI:000288356300002, title = {Development of biocatalysts for production of commodity chemicals from lignocellulosic biomass}, journal = {Bioresource Technology}, volume = {102}, number = {6}, year = {2011}, month = {MAR}, pages = {4304-4312}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Lignocellulosic biomass is recognized as potential sustainable source for production of power, biofuels and variety of commodity chemicals which would potentially add economic value to biomass. Recalcitrance nature of biomass is largely responsible for the high cost of its conversion. Therefore, it is necessary to introduce some cost effective pretreatment processes to make the biomass polysaccharides easily amenable to enzymatic attack to release mixed fermentable sugars. Advancement in systemic biology can provide new tools for the development of such biocatalysts for sustainable production of commodity chemicals from biomass. Integration of functional genomics and system biology approaches may generate efficient microbial systems with new metabolic routes for production of commodity chemicals. This paper provides an overview of the challenges that are faced by the processes converting lignocellulosic biomass to commodity chemicals. The critical factors involved in engineering new microbial biocatalysts are also discussed with more emphasis on commodity chemicals. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Biomass utilization, Commodity chemicals, Ethanol, Lactic acid, Microbial cellulases}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.01.002}, author = {Adsul, Mukund G. and Singhvi, M. S. and Gaikaiwari, Shalaka A. and Gokhale, D. V.} } @proceedings {42729, title = {Development of embedded system for In-Situ QCM measurements to study molecular recognition processes}, year = {2011}, month = {JAN}, address = {Chennai}, author = {Iyer, Neelima} } @article { ISI:000292377500011, title = {Development of non-woven nanofibers of egg albumen-poly (vinyl alcohol) blends: influence of solution properties on morphology of nanofibers}, journal = {Polymer Journal}, volume = {43}, number = {7}, year = {2011}, month = {JUL}, pages = {654-661}, publisher = {NATURE PUBLISHING GROUP}, address = {75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA}, abstract = {
Egg albumen (EA), a highly functional globular protein with desirable properties, is the least-explored material for biomaterial applications, although it is available in abundance. In our studies, we explored the viability of EA and various blends with biocompatible and non-toxic poly (vinyl alcohol) (PVA) to produce nanofibers for biomedical applications. EA and PVA blends were prepared in various compositions. Electrospinning was used to fabricate non-woven nanofibers. Solution properties, such as viscosity and electrical conductivity, were evaluated for various prepared solutions. Solution viscosity increased with increasing polymer concentration. Solutions with higher contents of EA recorded increased conductivity, which decreased with increasing PVA content. The influence of solution properties on the morphological appearance of as-spun products was studied using scanning electron microscopy. Instead of nanofibers, nanoparticles and microparticles of EA were produced at even higher contents. In contrast, a gradual increase in the addition of PVA content to 8\% EA solution resulted in the transformation of particles from large agglomerates to very fine fibers (approximate to 100nm in diameter) because of the influence of polymer content, viscosity and conductivity. The polymer-polymer interactions in the prepared materials have been validated by Fourier transform infrared spectroscopy, differential scanning calorimetry, X-ray diffraction and gel electrophoresis. Polymer Journal (2011) 43, 654-661; doi:10.1038/pj.2011.34; published online 18 May 2011
}, keywords = {Biocompatibility, biodegradable, blends, nanotechnology, Proteins}, issn = {0032-3896}, doi = {10.1038/pj.2011.34}, author = {Rathna, Gundloori Venkata Naga and Jog, Jyoti Prakash and Gaikwad, A. B.} } @article { ISI:000295696300005, title = {DFT investigation of the potential of porous cages for the catalysis of ammonia borane dehydrogenation}, journal = {Chemical Communications}, volume = {47}, number = {41}, year = {2011}, month = {SEP}, pages = {11417-11419}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Full DFT based quantum mechanical studies reveal that zero dimensional porous structures, especially the newly proposed phosphorus incorporated organic cages, can be excellent catalysts for the dehydrogenation of ammonia borane.
}, issn = {1359-7345}, doi = {10.1039/c1cc13285g}, author = {Pal, Amrita and Vanka, Kumar} } @article {42526, title = {Diamine derivative of a ruthenium(II)-polypyridyl complex for chemodosimetric detection of nitrite ion in aqueous solution}, journal = {Inorganica Chimica Acta}, volume = {372}, year = {2011}, month = {FEB}, pages = {115{\textendash}119}, abstract = {
Nitrite is quite an abundant anion in the environment. It, however, becomes toxic to human life, as well as aquatic animals when present above the permissible concentration level. We have reported here a Ru(II)-polypyridyl-based complex (1) for chemodosimetric detection of nitrite ion in aqueous solution. Formation of the new triazole based complex, generated by reaction of 1 and N2O3, is ascertained by comparing its properties with a presynthesised triazole complex.
}, doi = {10.1016/j.ica.2011.01.066}, author = {Ghosh, Amrita and Das, Priyadip and Saha, Sukdeb and Banerjee, Tanmay and Bhatt, Harshad B. and Das, Amitava} } @article { ISI:000290685100004, title = {Diastereoselective synthesis of 1,1,4-trisubstituted-2,3,4,9-tetrahydrospiro-beta-carbolines via glacial acetic acid catalyzed pictet - spengler reaction}, journal = {Arkivoc}, number = {2}, year = {2011}, month = {OCT}, pages = {41-56}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
The Pictet-Spengler reaction of substituted tryptamines with cyclic ketones using glacial acetic acid afforded only one diastereomer of unreported 1,1,4-trisubstituted-2,3,4,9-tetrahydrospiro-beta-carbolines. The stereoselectivity in the reaction has been demonstrated using unsymmetrical ketones and single-crystal X-ray analysis of one of the spiro products in the form of base, its sulfate and hydrochloride salts, which indicated the formation of only the R, R diastereomer.
}, keywords = {1, 3, 4, 4-Trisubstituted-2, 9-tetrahydrospiro-beta-carbolines, beta-substituted tryptamine, Diastereoselective Pictet-Spengler reaction, Glacial acetic acid}, issn = {1551-7004}, author = {Shumaila, Abdullah M. A. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @article { ISI:000290602100011, title = {Diastereoselective synthesis of tetrasubstituted-octahydro-3,6-diazacarbazoles and tetrasubstituted-3,6-diazacarbazoles via double Pictet-Spengler reaction}, journal = {Tetrahedron Letters}, volume = {52}, number = {21}, year = {2011}, month = {MAY}, pages = {2661-2663}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Pictet-Spengler condensation of 2,5-bis(2-phenyl-1-aminoethyl)pyrrole using glacial acetic acid afforded only one diastereomer of unreported tetrasubstituted-octahydro-3,6-diazacarbazoles. These were readily dehydrogenated to tetrasubstituted-3,6-diazacarbazoles. The stereoselectivity in the Pictet-Spengler reaction has been demonstrated using single crystal X-ray analysis. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {2, 5-Bis(2-phenyl-1-aminoethyl)pyrrole, 6-diazacarbazoles, Diasteroselective Pictet-Spengler reaction, Glacial acetic acid, Tetrasubstituted-3, Tetrasubstituted-octahydro-3}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.03.060}, author = {Shumaila, Abdullah M. A. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @article { ISI:000288438500030, title = {Dibutyl phthalate, a secondary metabolite from mimusops elengi}, journal = {Chemistry of Natural Compounds}, volume = {46}, number = {6}, year = {2011}, month = {JAN}, pages = {955-956}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0009-3130}, doi = {10.1007/s10600-011-9793-8}, author = {Ruikar, A. D. and Gadkari, T. V. and Phalgune, U. D. and Puranik, Vedavati G. and Deshpande, N. R.} } @article { ISI:000298639800093, title = {Dielectric and spin relaxation behaviour in DyFeO3 nanocrystals}, journal = {Journal of Applied Physics}, volume = {110}, number = {12}, year = {2011}, month = {DEC}, pages = {124301}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
We report the temperature and frequency dependent dielectric measurements and ac magnetic susceptibility of chemically synthesized DyFeO3 nanoparticles (size similar to 50-60 nm). The measurement of the dielectric properties was carried out in a broad temperature (20-325 K) and frequency (1-10(6) Hz) range. The non-Debye type dipolar relaxation phenomenon was observed in the DyFeO3 nanoparticles, as confirmed by the Cole-Cole plots. The higher values of epsilon{\textquoteright} at the lower frequencies are explained on the basis of the Maxwell-Wagner model. The Cole-Cole analysis enabled us to separate the contribution of relaxation times, resistance and capacitance in grain and grain boundaries in DyFeO3 nanocrystals. We found that with increasing temperature, the contribution of grain boundary resistance increases in comparison to the grain resistance. We also performed spin relaxation studies in a broad temperature and frequency range. Both the in-phase (chi{\textquoteright}) and out-of-phase (chi {\textquoteleft}{\textquoteright}) components of the ac magnetic susceptibilities of the DyFeO3 nanoparticles show a clear evidence at spin reorientation transition around 70K and T-N (Dy) around 4K as reported by us in our earlier study using the dc magnetic behaviour. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3669154]
}, issn = {0021-8979}, doi = {10.1063/1.3669154}, author = {Jaiswal, Adhish and Das, Raja and Maity, Tuhin and Poddar, Pankaj} } @article { ISI:000297657400072, title = {Differential induction, purification and characterization of cold active lipase from Yarrowia lipolytica NCIM 3639}, journal = {Bioresource Technology}, volume = {102}, number = {22}, year = {2011}, month = {NOV}, pages = {10663-10670}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The production, purification and characterization of cold active lipases by Yarrowia lipolytica NCIM 3639 is described. The study presents a new finding of production of cell bound and extracellular lipase activities depending upon the substrate used for growth. The strain produced cell bound and extracellular lipase activity when grown on olive oil and Tween 80, respectively. The organism grew profusely at 20 degrees C and at initial pH of 5.5, producing maximum extracellular lipase. The purified lipase has a molecular mass of 400 kDa having 20 subunits forming a multimeric native protein. Further the enzyme displayed an optimum pH of 5.0 and optimum temperature of 25 degrees C. Peptide mass finger printing reveled that some peptides showed homologues sequence (42\%) to Yarrowia lipolytica LIP8p. The studies on hydrolysis of racemic lavandulyl acetate revealed that extracellular and cell bound lipases show preference over the opposite antipodes of irregular monoterpene, lavandulyl acetate. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Cell bound lipase, Cold active lipase, Extracellular lipase, Lavandulyl acetate, Oligomeric lipase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.09.013}, author = {Yadav, K. N. Sathish and Adsul, Mukund G. and Bastawade, Kulbhushan B. and Jadhav, D. D. and Thulasiram, H. V. and Gokhale, D. V.} } @article { ISI:000290493000005, title = {Differentiation-inducing ability of sophorolipids of oleic and linoleic acids using a glioma cell line}, journal = {Biotechnology Journal}, volume = {6}, number = {5, SI}, year = {2011}, month = {MAY}, pages = {509-512}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Sophorolipids are biosurfactants produced by non-pathogenic yeasts. They show structural similarity with the membrane components of mammalian cells, i.e., glycosphingolipids and gangliosides, which are involved in processes such as signaling, oncogenesis, and differentiation. Sophorolipids have been reported to induce differentiation in several leukemic cell lines, cell death via apoptosis in a human liver cancer cell line, and necrosis in a pancreatic adenocarcinoma cell line. Here we report, for the first time, the effects of precursor fatty acids and sophorolipids of oleic and linoleic acids in pure acidic and crude forms on LN-229, a glioma cell line. In response to different sophorolipid forms, various morphological changes were observed, such as formation of long thread-like extensions arising from the ends of the cells, cell alignment, cell elongation and bundle formation in a dose-dependent manner. In this study we present the morphological evidence of the potential of sophorolipids as differentiation inducers.
}, keywords = {Differentiation, Glioma, LN-229, Sophorolipid}, issn = {1860-6768}, doi = {10.1002/biot.201000345}, author = {Joshi-Navare, Kasturi and Shiras, Anjali and Prabhune, Asmita} } @article { ISI:000292786700024, title = {Direct synthesis of well-ordered mesoporous Al-SBA-15 and its correlation with the catalytic activity}, journal = {Applied Catalysis A-General}, volume = {400}, number = {1-2}, year = {2011}, month = {JUN}, pages = {176-184}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The synthesis of Al-SBA-15 under milder acidic conditions were made through an adjusting the molar H(2)O/HCl ratio which indicate the formation of Si-O-Al linkages that lead to isomorphous substitution of Si(4+) by some Al(3+) ions. By adjusting the H(2)O/HCl molar ratio, Al gets incorporated into the lattice of SBA-15, which is evidenced by XRD. N(2) adsorption, TEM, (29)Si and (27)Al MAS NMR spectroscopic data. Aluminium incorporated SBA-15 samples retained both structural and textural properties of SBA-15. The (27)Al MAS NMR confirms that a large proportion of the Al is inserted into tetrahedral positions within the framework. The Al(3+) ions could assume a tetrahedral coordination and be part of the hexagonal structure of silica in Al-SBA-15. In the present study, we have examined the effectiveness of Al-SBA-15, as an acid catalyst for the esterification of acetic acid and in benzylation of anisole. The high activity of Al-20 sample in esterification reaction has been attributed to isolated, generally tetrahedrally coordinated, framework Al species. While in benzylation of anisole, the best result was achieved with Al-5 catalyst. The selectivity for benzylanisole increases and that for dibenzylether decreases with increase in the Si/Al ratio of Al-SBA-15. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Al-SBA-15, Benzylation of anisole, Esterification of acetic acid}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.04.031}, author = {Bhange, Pallavi and Bhange, Deu S. and Pradhan, Sivaram and Ramaswamy, Veda} } @article { ISI:000295890100012, title = {Divergent Pd(II) and Au(III) mediated nitroalkynol cycloisomerizations}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {21}, year = {2011}, month = {JUN}, pages = {7327-7334}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new cycloisomerization reaction comprising the simultaneous addition of nitro and alcohol groups across C C leading to skeletally diverse small molecules is documented.
}, issn = {1477-0520}, doi = {10.1039/c0ob00858c}, author = {Patel, Pitambar and Ramana, Chepuri V.} } @article { ISI:000296020200002, title = {Diversifying the structural architecture of synthetic oligomers: the hetero foldamer approach}, journal = {Chemical Communications}, volume = {47}, number = {42}, year = {2011}, month = {AUG}, pages = {11593-11611}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Conformationally ordered synthetic oligomers, also called {\textquoteleft}{\textquoteleft}foldamers{\textquoteright}{\textquoteright}, have attracted considerable attention in recent years owing to their ability to mimic the structural architecture of biopolymers and also because of their potential applications in biomedical and material science fields. Until recently, the major focus in this area has been the development of oligomers featuring a single type of monomer building blocks. However, due to the enormous possibility of augmenting the conformational space available for oligomer design, the hetero foldamer approach has been introduced very recently. This feature article aims to describe foldamers with unique structural architectures, exclusively featuring heterogeneous backbones (hetero foldamers).
}, issn = {1359-7345}, doi = {10.1039/c1cc13313f}, author = {Roy, Arup and Prabhakaran, Panchami and Baruah, Pranjal Kumar and Sanjayan, Gangadhar J.} } @article { ISI:000287058200011, title = {Dopant induced effect on electrocatalytic reduction of nitrobenzene using conducting polypyrrole thin film electrodes}, journal = {Journal of Applied Polymer Science}, volume = {120}, number = {2}, year = {2011}, month = {APR}, pages = {719-724}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Conducting polypyrrole electrodes were prepared by electrochemical polymerization of pyrrole on vacuum-metallized glass substrates. These electrodes were modified by doping with a range of metal halides as dopant ions having different electronegativity. Electrochemical reduction of nitrobenzene using these electrodes was studied by means of cyclic voltammetry technique in acetonitrile medium containing aqueous HClO(4) (0.1M) as supporting electrolyte. It was found that the electronegativity of the dopant ion played a very important role in the electrocatalytic activity. Polypyrrole doped with nickel chloride gave the highest anodic current at the reduction potential of nitrobenzene. The results were explained on the basis of charge transfer efficiency at the electrode-electrolyte interface, which was associated with the acceptor state created by the dopant in the semi-conducting polymer. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 120: 719-724, 2011
}, keywords = {charge transfer, conducting polymer, Doping, electrocatalysis, nitrobenzene, polypyrrole, reduction}, issn = {0021-8995}, doi = {10.1002/app.31417}, author = {Adhikari, Arindam and Radhakrishnan, S.} } @article { ISI:000289973100006, title = {Dynamic mechanical and perforation impact behavior of all-PP composites containing beta-nucleated random PP copolymer as matrix and stretched PP homopolymer tape as reinforcement: effect of draw ratio of the tape}, journal = {Journal of Thermoplastic Composite Materials}, volume = {24}, number = {3}, year = {2011}, month = {MAY}, pages = {377-388}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {
Cross-ply all-polypropylene (PP) composite laminates were prepared by hot consolidation after tape winding combined with film stacking. Alpha (alpha) PP tapes of different draw ratios (DR = 8 and 12), produced by online extrusion stretching, served as reinforcements. Beta (beta)-nucleated random PP copolymer, introduced in the form of a film, composed the matrix. The E-modulus of the PP tapes increased whereas their density decreased with increasing DR. The volume fraction of the reinforcement and the void content were estimated using optical microscopic images. The all-PP composites were subjected to dynamic mechanical thermal analysis, flexural, and instrumented falling weight impact tests. It was found that with increasing draw ratio of the alpha-PP tapes, the stiffness, strength, and perforation resistance of the composites were improved.
}, keywords = {all-polypropylene composite, draw ratio, dynamic mechanical thermal analysis, instrumented falling weight impact, polypropylene}, issn = {0892-7057}, doi = {10.1177/0892705710391402}, author = {Abraham, Thomas N. and Wanjale, S. and Siengchin, S. and Karger-Kocsis, Jozsef} } @article { ISI:000295831700027, title = {Early stages of unwinding of zwitterionic alpha-helical homopolymeric peptides}, journal = {Chemical Physics Letters}, volume = {514}, number = {4-6}, year = {2011}, month = {OCT}, pages = {330-335}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Unwinding mechanisms of helices of the zwitterionic polyalanine, polyleucine, and polylysine were studied using classical molecular dynamics simulation at 300 K temperature. Interestingly the helices of polyalanine and polyleucine start to unwind from the terminals, which is further relayed to the middle of the chain with time. Polylysine helix also starts to unwind from the terminals of the alpha-helical chain but the unwinding is not relayed to the middle. The reason behind this observation is investigated whether the presence of -NH(2) groups in the side chain of polylysine is influencing the unwinding. Two competitive mechanisms, fluctuation of the terminal residues and exchange of H-bonds between residues and water trigger the process of unwinding. (C) 2011 Elsevier B. V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2011.08.050}, author = {Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000294437300035, title = {Ecofriendly hydrogen production from abundant hydrogen sulfide using solar light-driven hierarchical nanostructured ZnIn2S4 photocatalyst}, journal = {Green Chemistry}, volume = {13}, number = {9}, year = {2011}, month = {JUL}, pages = {2500-2506}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
It is quite well-known that refineries are producing huge amount of H2S which has been used to produce sulphur and water using the well-known Claus process. This process is not an economically viable process, due to the high-cost chemical process and creates further acute environmental problems. Therefore, we have demonstrated the conversion of poisonous H2S into H-2 using an ecofriendly phocatalysis process which is a green unconventional energy source. We have investigated ecofriendly nanostructured ZnIn2S4 photocatalyst to produce hydrogen from H2S using solar light. We also demonstrate the controlled synthesis of hierarchical nanostructured ZnIn2S4 using a facile hydrothermal method. The morphologies obtained have been greatly influenced by the presence of triethylamine (TEA) with various concentrations during the reaction. Surprisingly, a highly crystalline hexagonal layer structured ZnIn2S4 was obtained instead of cubic spinel. The hierarchical nanostructure, i.e. marigold flower-like morphology, was obtained without any surfactant. The thin and transparent petals self-assembled to form the unique nanostructured marigold flower. The highly crystalline puffy marigold flowers and nanoplates/nanostrips were obtained using TEA-assisted hydrothermal synthesis. Optical study shows the band gap in the range of 2.34-2.48 eV. Considering the band gap in the visible region, ZnIn2S4 is used as photocatalyst for hydrogen production from hydrogen sulphide under solar light which is hitherto unattempted. The constant photocatalytic activity of hydrogen evolution, i.e. 5287 mu mol h(-1), was obtained using such hierarchical nanostructured ZnIn2S4 under visible light irradiation. It is noteworthy that the H-2 evolution rate obtained is much higher compared to earlier reported photocatalysts. Considering the significance of morphologies for photocatalytic application, the formation mechanism has also been furnished. The unique hierarchical nanostructured ZnIn2S4 ternary semiconductor having hexagonal layer will have potential applications in solar cells, LEDs, charge storage, electrochemical recording, thermoelectricity and other prospective electronic and optical devices.
}, issn = {1463-9262}, doi = {10.1039/c1gc15515f}, author = {Chaudhari, Nilima S. and Bhirud, Ashwini P. and Sonawane, Ravindra S. and Nikam, Latesh K. and Warule, Sambhaji S. and Rane, Vilas H. and Kale, Bharat B.} } @article { ISI:000292354600065, title = {Effect of aluminium doping on structural and gas sensing properties of zinc oxide thin films deposited by spray pyrolysis}, journal = {Sensors and Actuators B-Chemical}, volume = {156}, number = {2}, year = {2011}, month = {AUG}, pages = {943-948}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A facile spray pyrolysis route is used to deposit aluminium doped ZnO (AZO) thin films on to the glass substrates. It is observed that on aluminium doping the particle size of ZnO reduces significantly; moreover, uniformity of particle also gets enhanced. Their XRD study reveals that intensity ratio of crystal planes depend on the aluminium doping concentration. The gas response studies of; similar to 800 nm thick Al-doped ZnO films at different operating temperatures show that 5 at\% Al-doped ZnO thin film exhibits highest response towards H(2)S gas at 200 degrees C. The results suggest that the gas response strongly depends on the particle size and aluminium doping in the ZnO. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Aluminium, H(2)S sensor, Spray pyrolysis, thin film, Zinc oxide}, issn = {0925-4005}, doi = {10.1016/j.snb.2011.03.010}, author = {Badadhe, Satish S. and Mulla, Imtiaz S.} } @article { ISI:000289926300019, title = {Effect of blend composition and organoclay loading on the nanocomposite structure and properties of miscible poly(methyl methacrylate)/poly(styrene-co-acrylonitrile) blends}, journal = {Polymer Engineering and Science}, volume = {51}, number = {5}, year = {2011}, month = {MAY}, pages = {979-991}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Organically-modified montmorillonite clay nanocomposites of poly(styrene-co-acrylonitrile) (SAN), poly(methyl methacrylate) (PMMA) and SAN/PMMA miscible blend are investigated. Structure characteristics at the nanoscale and microscale and thermal and tensile properties are studied as a function of polymer blend composition and filler loading fraction. Blend miscibility and T(g) are unaffected by up to 10\% by wt. organoclay. Thermal degradation stability increases with SAN content and exhibits an optimum value of clay loading. Stiffness shows significant improvement. Tensile strength and elongation-at-break suffer as a result of nanocomposite formation. Modulus shows a maximum enhancement of 57\% (5 +/- 0.06 GPa at 10 wt\% filler, 20/80 SAN/PMMA) and varies linearly with clay fraction for all compositions of matrix phase. Predictions of Halpin-Tsai composite model are in excellent agreement with the experimental behavior over full range of polymer blend composition. Fundamental aspects of a polymer blend-clay nanocomposite are clarified, such as lack of additional synergy between clay platelets and matrix, and tensile ductility reduction, compared with polymer-clay system. POLYM. ENG. SCI., 51:979-991, 2011. (C) 2011 Society of Plastics Engineers
}, issn = {0032-3888}, doi = {10.1002/pen.21887}, author = {Tiwari, Rajkiran R. and Natarajan, Upendra} } @article { ISI:000287338000001, title = {Effect of chemical substituents on the structure of glassy diphenyl polycarbonates}, journal = {Journal of Physical Chemistry B}, volume = {115}, number = {7}, year = {2011}, month = {FEB}, pages = {1579-1589}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Polycarbonates offer a wide variety of physical property behavior that is difficult to predict due to complexities at the molecular scale. Here, the physical structure of amorphous glassy polycarbonates having aliphatic and cycloaliphatic chemical groups is explored through atomistic simulations. The influence of chemical structure on solubility parameter, torsion distributions, radial distribution function, scattering structure factor; orientation distributions of phenylene rings and carbonate groups, and free volume distributions, leading to interchain packing effects, are shown. The effect of the cyclohexyl ring at the isopropylidene carbon as compared to the effect of the methyl groups positioned on the phenylene rings results in a larger reduction in the solubility parameter (delta). The interchain distance estimated for polycarbonates in this work is in the range of 5-5.8 angstrom. The o-methyl groups on the phenylene, rings, as compared to a cyclohexyl ring, lead to higher interchain distances. The highest interchain distance is observed with a trimethylcyclohexylidene group at the isopropylidene carbon. Atomistic simulations reveal two different types of packing arrangement of nearest neighbor chains in the glassy state, one type of which agrees with the NMR experimental data The fundamental insights provided here can be utilized for design of chemical structures for tailored macroscopic properties.
}, issn = {1520-6106}, doi = {10.1021/jp105954z}, author = {Sulatha, M. S. and Natarajan, Upendra} } @article { ISI:000289575500018, title = {Effect of composition on chain dimensions of styrene-methylmethacrylate random copolymers under theta condition}, journal = {Journal of Macromolecular Science Part B-Physics}, volume = {50}, number = {5}, year = {2011}, month = {APR}, pages = {996-1005}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Rotational-isomeric-state (RIS)-Metropolis Monte Carlo simulations are performed on poly(styrene-ran-methylmethacrylate) random copolymers to study the intrinsic unperturbed (theta-condition) dimensions. Mean-squared end-to-end distance (\< r(2)\>(o)), mean-squared radius of gyration (\< s(2)\>(o)), and characteristic ratio (C(n)) have been calculated for these copolymers constituted by different overall chemical compositions (styrene fractions 0.29, 0.56, and 0.70). Calculations were carried out with chains of 500 repeating units. With an increase in the styrene content there is an increase in (\< r(2)\>(o)), {\textquoteleft}, and C(n), in agreement with experimental observations. An increase in the fraction of trans conformational states in the backbone torsion angles is found to be responsible for the exhibited chain expansion behavior. The dimensions calculated by the Monte Carlo simulations agree well with experimental values reported in the literature.
}, keywords = {chain dimensions, Monte Carlo, poly(methyl methacrylate), Polystyrene, random copolymer, theta conditions}, issn = {0022-2348}, doi = {10.1080/00222348.2010.497414}, author = {Karyappa, Rahul B. and Natarajan, Upendra} } @article { ISI:000300591700013, title = {Effect of inter-particle interactions on the magnetic properties of magnetite nanoparticles after coating with dextran}, journal = {International Journal of Nanotechnology}, volume = {8}, number = {10-12, SI}, year = {2011}, month = {JAN}, pages = {907-915}, publisher = {INDERSCIENCE ENTERPRISES LTD}, address = {WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 896, CH-1215 GENEVA, SWITZERLAND}, abstract = {
Nanoparticles of magnetite (Fe3O4) are synthesised by a coprecipitation method and coated with the biocompatible polymer, dextran. The uncoated and dextran coated magnetite nanoparticles are characterised by powder X-ray diffraction, infrared spectroscopy, transmission electron microscopy, and magnetic measurements. The magnetic properties of the uncoated and coated magnetite nanoparticles are compared to study the effect of inter-particle magnetic interactions on the magnetic characteristics. Absence of magnetic hysteresis at room temperature indicates the superparamagnetic nature of the two samples. Evidence for the effect of reduced inter-particle magnetic interactions is directly obtained from the field dependence of magnetisation at room temperature. The decreased superparamagnetic blocking temperature and the nature and shape of the field cooled magnetisation curve of the dextran coated sample further confirmed that the inter-particle magnetic interactions are completely suppressed after coating.
}, keywords = {dextran coating, magnetic interactions, magnetic properties, magnetite, Nanoparticles}, issn = {1475-7435}, author = {Sreeja, V. and Joy, Pattayil Alias} } @article { ISI:000289149900115, title = {Effect of particle size and annealing on spin and phonon behavior in TbMnO3}, journal = {Journal of Applied Physics}, volume = {109}, number = {6}, year = {2011}, month = {MAR}, pages = {064309}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Interest has grown to study TbMnO3 as it was recently reported to show a gigantic magnetoelectric effect. Here, we report the synthesis and detailed magnetic and Raman spectroscopy study on TbMnO3 particles of size similar to 25 nm and 2-3 mu m, respectively. The incommensurate-commensurate (lock-in) transition, usually observed at 27 K for bulk phase of TbMnO3 was not observed in susceptibility versus T curve but was seen at 30 K in the coercivity versus T curve in similar to 25 nm particles. This transition, which is due to the spin modulation length scale, gets weakened in nanosize due to the increased intrinsic lattice strain observed in 2-3 mu m particles, due to the effect of increased particle size. The increased value of magnetization in the 2-3 mu m sample was attributed to double exchange interactions between Mn+3 and Mn+4 spins. The role of annealing related effects on the fate of the Neel temperature for TbMnO3 was investigated. Raman spectroscopy indicated a decrease in the lattice distortion for similar to 25 nm particles. (c) 2011 American Institute of Physics. [doi:10.1063/1.3563571]
}, issn = {0021-8979}, doi = {10.1063/1.3563571}, author = {Das, Raja and Jaiswal, Adhish and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article {43240, title = {Effect of solvation on the vertical ionization energy of thymine: from microhydration to bulk}, journal = {Journal of Physical Chemistry A}, volume = {115}, year = {2011}, month = {JUN}, pages = {6028-6038}, abstract = {The effect of hydration on the vertical ionization energy (VIE) of thymine was characterized using equation-of-motion ionization potential coupled-cluster (EOM-IP-CCSD) and effective fragment potential (EFP) methods. We considered several microsolvated clusters as well as thymine solvated in bulk water. The VIE in bulk water was computed by averaging over solvent-solute configurations obtained from equilibrium molecular dynamics trajectories at 300 K. The effect of microsolvation was analyzed and contrasted against the combined effect of the first solvation shell in bulk water. Microsolvation reduces the ionization energy (IE) by about 0.1 eV per water molecule, while the first solvation shell increases the IE by 0.1 eV. The subsequent solvation lowers the IE, and the bulk value of the solvent-induced shift of thymine{\textquoteright}s VIE is approximately -0.9 eV. The combined effect of the first solvation shell was explained in terms of specific solute-solvent interactions, which were investigated using model structures. The convergence of LE to the bulk value requires the hydration sphere of approximately 13.5 angstrom radius. The performance of the EOM-IP-CCSD/EFP scheme was benchmarked against full EOM-IP-CCSD using microhydrated structures. The errors were found to be less than 0.01-0.02 eV. The relative importance of the polarization and higher multipole moments in EFP model was also investigated.}, doi = {10.1021/jp110438c}, author = {Ghosh, Debashree and Isayev, Olexandr and Slipchenko, Lyudmila V. and Krylov, Anna I.} } @article { ISI:000287466900022, title = {Effect of tethering on the structure-property relationship of TPU-dual modified laponite clay nanocomposites prepared by ex-situ and in-situ techniques}, journal = {Polymer}, volume = {52}, number = {4}, year = {2011}, month = {FEB}, pages = {1071-1083}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Novel Thermoplastic Polyurethane (TPU)-dual modified Laponite clay nanocomposites were prepared by ex-situ and in-situ techniques. Two types of modified clays used in this work differ from each other by the number of active functional groups (tethering). Modified nanoclays are characterized by FTIR, Solid State NMR, XRD and TGA. Structural differences in the modified clays lead to novel tubular, elliptical and spherically aggregated morphologies of clays together with the hard segments of TPU. Changes in such morphology result in the difference in segmental relaxation, mechanical and rheological properties of the nanocomposites. In-situ prepared nanocomposites register inferior properties as compared to their ex-situ counterparts. The percent improvement in tensile strength and elongation at break of the ex-situ prepared nanocomposites with the modified clay having lesser tethering are found to be 67\% and 208\%, respectively. Thermal stability is enhanced by 35 degrees C as compared to that of the neat TPU. (C) 2010 Published by Elsevier Ltd.
}, keywords = {Dual modification, Nanocomposites, Thermoplastic polyurethane}, issn = {0032-3861}, doi = {10.1016/j.polymer.2010.10.010}, author = {Mishra, Ananta K. and Chattopadhyay, Santanu and Rajamohanan, P. R. and Nando, Golok B.} } @article { ISI:000289315700010, title = {Effect of triples to dipole moments in fock-space multireference coupled cluster method}, journal = {Journal of Chemical Theory and Computation}, volume = {7}, number = {4}, year = {2011}, month = {APR}, pages = {876-883}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this paper, we present the new implementation of partial triples for the dipole moment of doublet radicals in Lagrangian formulation of Fock-space multireference coupled cluster (A-FSMRCC) response method. We have implemented a specific scheme of noniterative triples, in addition to singles and doubles schemes, which accounts for the effects appearing at least at the third order in dipole moments. The method is applied to the ground states of OH, OOH, HCOO, CN, CH, and PO radicals.
}, issn = {1549-9618}, doi = {10.1021/ct1007263}, author = {Ravichandran, Lalitha and Vaval, Nayana and Pal, Sourav} } @article { ISI:000291182100026, title = {Efficiency and recycling capability of montmorillonite supported Fe-Ni bimetallic nanocomposites towards hexavalent chromium remediation}, journal = {Applied Catalysis B-Environmental}, volume = {104}, number = {3-4}, year = {2011}, month = {MAY}, pages = {407-414}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The remediation of Cr(VI) from simulated water streams is investigated using Fe-Ni bimetallic nanoparticles (Fe-Ni NPs) and their nanocomposites prepared with montmorillonite (MMT) clay. These nanocomposites are characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and Brunauer-Emmett-Teller (BET) surface area analyses. XRD analysis revealed proper dispersion as well as intercalation of Fe-Ni NPs in the clay matrix. TEM of nanocomposites showed the presence of spherical particles having a size of 20-40 nm. Batch experiments with a 25 mg L(-1) Cr(VI) solution and 2 g L-1 Fe-Ni NPs exhibited complete reduction of Cr(VI) within 10 min that follows first order reaction kinetics. Amongst 25\%, 50\%, 75\% in situ and loaded nanocomposites, 75\% compositions possess better activity with enhanced reduction capacity below pH 4 due to generation of reactive H center dot species. XPS analysis of nanocomposites after Cr(VI) treatment suggested that reduction process occurs through Cr(111) formation followed by its subsequent reduction to Cr(0). Their potentiality towards reusage is established from the recycling experiments that revealed the order of efficiency as 75\% in situ \> Fe-Ni NPs \> 75\% loaded nanocomposites. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Cr(VI) remediation, Iron-nickel bimetallics, Montmorillonite, Nanocomposites, Recycling}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2011.02.011}, author = {Kadu, Brijesh S. and Sathe, Yogesh D. and Ingle, Abhijit B. and Chikate, Rajeev C. and Patil, Kashinath R. and Rode, Chandrashekhar V.} } @article { ISI:000288848900018, title = {Efficient convergent access to spiroketal segment of (+)-spiroxaline methyl ether}, journal = {Synthesis-Stuttgart}, volume = {2}, number = {7}, year = {2011}, month = {APR}, pages = {1137-1141}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Starting from trimethylsilylacetylene, a facile synthesis of optically pure spiroketal unit of (+)-spiroxaline methyl ether has been described. The synthesis entails stepwise alkylation and acylation of an alkyne with two different readily available chiral building blocks followed by the reductive in situ regio- and stereoselective spiroketalization pathway.
}, keywords = {(+)-spiroketal segment synthesis, (R)-gamma-valerolactone, (R)-oxirane, alkyne, nucleophilic reactions}, issn = {0039-7881}, doi = {10.1055/s-0030-1258456}, author = {Singh, Mandeep and N. P. Argade} } @article {42724, title = {Efficient hydrogenation of organic carbonates, carbamates, and formates indicates alternative routes to methanol based on CO2 and CO}, journal = {Nature Chemistry}, volume = {3}, year = {2011}, month = {JUL}, pages = {609{\textendash}614}, abstract = {
Catalytic hydrogenation of organic carbonates, carbamates and formates is of significant interest both conceptually and practically, because these compounds can be produced from CO2 and CO, and their mild hydrogenation can provide alternative, mild approaches to the indirect hydrogenation of CO2 and CO to methanol, an important fuel and synthetic building block. Here, we report for the first time catalytic hydrogenation of organic carbonates to alcohols, and carbamates to alcohols and amines. Unprecedented homogeneously catalysed hydrogenation of organic formates to methanol has also been accomplished. The reactions are efficiently catalysed by dearomatized PNN Ru(II) pincer complexes derived from pyridine- and bipyridine-based tridentate ligands. These atom-economical reactions proceed under neutral, homogeneous conditions, at mild temperatures and under mild hydrogen pressures, and can operate in the absence of solvent with no generation of waste, representing the ultimate {\textquoteleft}green{\textquoteright} reactions. A possible mechanism involves metal{\textendash}ligand cooperation by aromatization{\textendash}dearomatization of the heteroaromatic pincer core.
}, doi = {10.1038/nchem.1089}, author = {Balaraman, Ekambaram and Gunanathan, Chidambaram and Zhang, Jing and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000292983400015, title = {Efficient synthesis of benzodiazepinyl phosphonates as clostripain inhibitors via FeCl3 catalyzed four-component reaction}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {15}, year = {2011}, month = {OCT}, pages = {5407-5413}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel one-pot route for the synthesis of benzodiazepinyl phosphonates (BDPs) has been achieved. FeCl3 efficiently catalyzed four-component condensation of diamines, acetone and phosphites in the presence of molecular sieves to furnish BDPs as novel chemical entities with good yield. The synthesized BDPs have shown significant protease inhibition activity against clostripain, a disease model for gas gangrene, suggesting that these novel chemical entities could be further explored as cysteine protease inhibitors.
}, issn = {1477-0520}, doi = {10.1039/c0ob01102a}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C. and Raut, Dnyaneshwar S. and Mhaindarkar, Vaibhav P. and Khan, Mohammad Islam} } @article { ISI:000295817100054, title = {Efficient synthesis of benzofuranones: N-heterocyclic carbene (NHC)/base-catalyzed hydroacylation-stetter-rearrangement cascade}, journal = {Organic Letters}, volume = {13}, number = {20}, year = {2011}, month = {OCT}, pages = {5624-5627}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A N-heterocyclic carbene/base-catalyzed cascade reaction leading to the formation of functionalized benzofuranones is reported. The reaction proceeds via an intramolecular hydroacylation of unactivated alkynes followed by an intermolecular Stetter reaction and a base-catalyzed chromanone to benzofuranone rearrangement.
}, issn = {1523-7060}, doi = {10.1021/ol2023483}, author = {Padmanaban, Mohan and Biju, Akkattu T. and Glorius, Frank} } @article { ISI:000292555200032, title = {Electrical behavior of silver particulate films deposited on 8 MeV electron beam irradiated softened polystyrene substrates}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {22}, number = {8}, year = {2011}, month = {AUG}, pages = {1095-1100}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Results of the investigations carried out on the electrical behavior of silver particulate films deposited on electron beam irradiated polystyrene (PS) coated substrates held at a temperature of 455 K in a vacuum of 8 x 10(-6) torr at a constant deposition rate of 0.4 nm/s are reported. It is known that when metals are evaporated on to softened polymer substrates, subsurface particulate structures are formed whose morphology is dependent on deposition parameters. Further, it was shown that the morphology is dependent on polymer-metal interaction. The present work demonstrates that the polymer-metal interaction can be brought about in inert polymers like PS by electron irradiation. The results indicate that the films deposited on PS irradiated to a dose of 20 and 25 kGy gives rise to smaller clusters with smaller inter-cluster separation, better suited for sensor applications. The induced polymer-metal interaction is attributed to the creation of free radicals due to the 8 MeV electron irradiation.
}, issn = {0957-4522}, doi = {10.1007/s10854-010-0266-9}, author = {Pattabi, Manjunatha and Gurumurthy, S. C. and Sanjeev, Ganesh and Gaikwad, A. B.} } @article { ISI:000289376200002, title = {Electrochemical fluorescence switching from a patternable poly(1,3,4-oxadiazole) thin film}, journal = {Macromolecular Rapid Communications}, volume = {32}, number = {8}, year = {2011}, month = {APR}, pages = {637-643}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
A highly soluble poly(1,3,4-oxadiazole) (POD) substituted with long alkyl chains was examined for electrochemical fluorescence switching. The high solubility of the polymers enabled a simple fabrication of an electrochemical cell, which showed reversible fluorescence switching between dark (n-doping) and bright (neutral) states with a maximum on/off ratio of 2.5 and a cyclability longer than 1000 cycles. Photochemical cleavage of the oxadiazole in POD allowed photo-patterning of the POD film upon exposure to UV source. The patterned POD films displayed patterned image reversibly under a step potential of +1.8/-1.8V.
}, keywords = {fluorescence, lithography, Luminescence, photochemistry, switching device}, issn = {1022-1336}, doi = {10.1002/marc.201000791}, author = {Seo, Seogjae and Kim, Yuna and You, Jungmok and Sarwade, Bhimrao D. and Wadgaonkar, Prakash P. and Menon, Shamal K. and More, Arvind S. and Kim, Eunkyoung} } @article { ISI:000291715300005, title = {Electrochemical unzipping of multi-walled carbon nanotubes for facile synthesis of high-quality graphene nanoribbons}, journal = {Journal of the American Chemical Society}, volume = {133}, number = {12}, year = {2011}, month = {MAR}, pages = {4168-4171}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Here we report a remarkable transformation of carbon nanotubes (CNTs) to nanoribbons composed of a few layers of graphene by a two-step electrochemical approach. This consists of the oxidation of CNTs at controlled potential, followed by reduction to form graphene nanoribbons (GNRs) having smooth edges and fewer defects, as evidenced by multiple characterization techniques, including Raman spectroscopy, atomic force microscopy, and transmission electron microscopy. This type of {\textquoteleft}{\textquoteleft}unzipping{\textquoteright}{\textquoteright} of CNTs (single-walled, multi-walled) in the presence of an interfacial electric field provides unique advantages with respect to the orientation of CNTs, which might make possible the production of GNRs with controlled widths and fewer defects.
}, issn = {0002-7863}, doi = {10.1021/ja1101739}, author = {Shinde, Dhanraj B. and Debgupta, Joyashish and Kushwaha, Ajay and Aslam, Mohammed and Pillai, Vijayamohanan K.} } @proceedings { ISI:000291982802475, title = {Electronic decoupling of surface layers and its influence in oxidation catalysis: More wine in old bottle}, volume = {241}, year = {2011}, note = {241st National Meeting and Exposition of the American-Chemical-Society (ACS), Anaheim, CA, MAR 27-31, 2011}, month = {MAR}, publisher = {American-Chemical-Society}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, issn = {0065-7727}, author = {Chinnakonda, Gopinath S.} } @article {42718, title = {Electron-rich PNP- and PNN-type Ru(II) hydrido-borohydride complexes. synthesis, structure and catalytic activity towards dehydrogenation of alcohols and hydrogenation of esters}, journal = {Organometallics}, volume = {30}, year = {2011}, month = {OCT}, pages = {5716{\textendash}5724}, abstract = {
Electron-rich PNP- and PNN-type ruthenium(II) hydrido borohydride pincer complexes, [RuH(BH4)(tBu-PNP)] (tBu-PNP = (2,6-bis(di-tert-butylphosphinomethyl)pyridine) (5) and [RuH(BH4)(tBu-PNN)] (tBu-PNN = 2-di-tert-butylphosphinomethyl-6-diethylaminomethylpyridine) (6), were prepared from their corresponding N2-bridged dinuclear Ru(II) complexes [(tBu-PNP)RuCl2]2(μ-N2) (3) and [(tBu-PNN)RuCl2]2(μ-N2) (4), respectively. The X-ray structure of 5 reveals a BH4{\textendash} anion η2 coordinated to ruthenium through two bridging hydrides. A variable-temperature 1H NMR study of 6 exhibits interesting fluxional behavior of the BH4{\textendash} ligand. Similarly, the Ru(II) hydrido borohydride complex 9, in which the BH4{\textendash} moiety is coordinated in a η1 bonding mode, was obtained by reaction of [RuCl2(PPh3)(iPr-PNP)] (iPr-PNP = 2,6-bis(diisopropylphosphinomethyl)pyridine) (8) with two equivalents of NaBH4 at room temperature. The hydrido borohydride pincer complexes 5, 6, and 9 catalyze the acceptorless dehydrogenative coupling of primary alcohols to esters and the dehydrogenation of secondary alcohols to the corresponding ketones, accompanied by evolution of hydrogen gas. The reactivity follows the order 6 \> 9 \> 5. With the hydrido borohydride complex 6 as catalyst, high yields (up to 98\%) and high turnover numbers (TON \~{}1000) were obtained in the dehydrogenation of primary alcohols under mild and neutral conditions. In addition, 6 effectively catalyzes the hydrogenation of nonactivated aromatic and aliphatic esters to the corresponding alcohols with TON \~{}200 under a relatively mild pressure of dihydrogen and neutral and homogeneous conditions. Thus, an efficient homogeneous catalytic system for the dehydrogenation{\textendash}hydrogenation reactions of alcohols is developed, which is relevant to the current interest in hydrogen storage.
}, doi = {10.1021/om200595m}, author = {Zhang, Jing and Balaraman, Ekambaram and Leitus, Gregory and Milstein, David} } @article { ISI:000295921500010, title = {Employing homoenolates generated by NHC catalysis in carbon-carbon bond-forming reactions: state of the art}, journal = {Chemical Society Reviews}, volume = {40}, number = {11}, year = {2011}, month = {JUL}, pages = {5336-5346}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Homoenolate is a reactive intermediate that possesses an anionic or nucleophilic carbon beta to a carbonyl group or its synthetic equivalent. The recent discovery that homoenolates can be generated from alpha,beta-unsaturated aldehydes via N-Heterocyclic Carbene (NHC) catalysis has led to the development of a number of new reactions. A majority of such reactions include the use of carbon-based electrophiles, such as aldehydes, imines, enones, dienones etc. resulting in the formation of a variety of annulated as well as acyclic products. The easy availability of chiral NHCs has allowed the development of very efficient enantioselective variants of these reactions also. The tolerance showed by NHCs towards magnesium and titanium based Lewis acids has been exploited in the invention of cooperative catalytic processes. This tutorial review focuses on these and other types of homoenolate reactions reported recently, and in the process, updates the previous account published in 2008 in this journal.
}, issn = {0306-0012}, doi = {10.1039/c1cs15139h}, author = {Nair, Vijay and Menon, Rajeev S. and Biju, Akkattu T. and Sinu, C. R. and Paul, Rony Rajan and Jose, Anu and Sreekumar, Vellalath} } @article { ISI:000297732400016, title = {Enantioselective total syntheses of (-)-isonitramine, (-)-sibirine, and (+)-nitramine by ring-closing metathesis}, journal = {European Journal of Organic Chemistry}, number = {36}, year = {2011}, month = {DEC}, pages = {7372-7377}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
Concise enantioselective total syntheses of naturally occurring 2-azaspiro[5,5]undecan-7-ol (Nitraria) alkaloids viz. ()-isonitramine, ()-sibirine, and (+)-nitramine are accomplished in 42, 38, and 25?\% overall yield, respectively, in six steps starting from enantiomerically pure (S)-methyl 3-allyl-2-oxo-1,2,3,6-tetrahydropyridine-3-carboxylate (\>99?\%?ee). The key feature of the syntheses involves diastereoselective HosomiSakurai allylation followed by ring-closing metathesis.
}, keywords = {Alk-aloids, Allylation, Amino alcohols, Metathesis, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201101256}, author = {Pandey, Ganesh and Kumara, Prasanna C. and Burugu, Shiva Kumar and Puranik, Vedavati G.} } @article { ISI:000288848900007, title = {Enantiospecific route to (+)-(1R, 3S)-cis-chrysanthemic acid from (-)-D-pantolactone(1)}, journal = {Synthesis-Stuttgart}, number = {7}, year = {2011}, month = {APR}, pages = {1067-1070}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
In this paper, a novel route for the synthesis of (+)-(1R,3S)-cis-chrysanthemic acid is described. The use of readily available (-)-D-pantolactone as a starting point, application of ring-closing metathesis to form the cyclopentene intermediate, and Haller-Bauer/Grob-type fragmentation to form the target compound are the highlights of the present synthesis.
}, keywords = {alkenes, Metathesis, ring closure, stereoselective synthesis, Wittig reaction}, issn = {0039-7881}, doi = {10.1055/s-0030-1258451}, author = {Hajare, Atul K. and Datrange, Laxmikant S. and Murthy, Y. L. N. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000298066300009, title = {Energy optimization in integrated pulp and paper mills with recourse to environmental benefits}, journal = {Journal of Scientific \& Industrial Research}, volume = {70}, number = {12}, year = {2011}, month = {DEC}, pages = {1061-1069}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
This study focuses on energy optimization in evaporator and digester of integrated pulp and paper mills in India, and recommends application of 7 effects/plates evaporator in place of 5 effects/plates normally used. Steam economy resulting from this modification is definitely more than 7. Pinch technology is found suitable for optimization of controlled parameters in the digester. Using recommendations, total energy savings was observed in West Coast Paper Mill (11.74\%) and Star Paper Mill (12.97\%). Environmental benefits that will accrue in terms of reductions in emissions are: SPM, 46464-48664 TPA; SO(2), 1045 kg/annum; H(2)S, 55,020 kg/annum; and CO(2), 13612 TPA.
}, keywords = {Air emissions, Digester, Evaporator, Pinch technology, Steam economy}, issn = {0022-4456}, author = {Pharande, V. A. and Asthana, S. R. and Saini, D. R. and Kaul, S. N.} } @article { ISI:000296725000043, title = {Enhanced dielectric permittivity in poly (vinylidene) fluoride/multiwalled carbon nanotubes nanocomposite thin films fabricated by pulsed laser deposition}, journal = {Applied Surface Science}, volume = {258}, number = {3}, year = {2011}, month = {NOV}, pages = {1256-1260}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The fabrication of high quality thin films of poly (vinylidene fluoride) embedded with multiwalled carbon nanotubes using pulsed laser deposition technique is reported. The prepared films were characterized for structural, morphology and dielectric properties. The morphology analysis revealed uniform dispersion of multiwalled carbon nanotubes throughout the polymer matrix. X-ray diffraction results suggested that the poly (vinylidene fluoride) film is in amorphous phase while addition of multiwalled carbon nanotubes showed presence of crystalline peaks in the nanocomposites films. It was interesting to note that the nanocomposite films exhibits significant enhancement of the ferroelectric beta-phase as evidenced by the X-ray diffraction and Fourier transform infrared spectroscopy results. The dielectric analysis shows a remarkable enhancement in the dielectric permittivity of nanocomposites with lower loss and conductivity level. The results can be attributed to the formation of minicapacitor network and relatively higher percolation threshold in the nanocomposites. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Dielectric permittivity, Ferroelectric polymer, Percolation threshold, pulsed laser deposition, Thin films}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2011.09.087}, author = {Chanmal, Chetan and Deo, Meenal S. and Jog, Jyoti Prakash} } @article { ISI:000286732600010, title = {Enhanced DNA binding of 9-omega-amino alkyl ether analogs from the plant alkaloid berberine}, journal = {DNA and Cell Biology}, volume = {30}, number = {2}, year = {2011}, month = {FEB}, pages = {123-133}, publisher = {MARY ANN LIEBERT, INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {
To understand the structure-activity relationship of isoquinoline alkaloids, absorption, fluorescence, circular dichroism, and thermodynamics were employed to study the interaction of five C-9-omega-amino alkyl ether analogs from the plant alkaloid berberine with double-stranded calf thymus DNA. The C-9 derivatization resulted in dramatic enhancements in the fluorescence emission of these compounds. The most remarkable changes in the spectral and binding properties were in the BC4 and BC5 derivatives. Interactions of these analogs, which have an additional recognition motif with DNA, were evaluated through different spectroscopic and calorimetric titration experiments. The analogs remarkably enhanced the DNA binding affinity and the same was directly dependent on the alkyl chain length. The analog with six alkyl chains enhanced the DNA binding affinity by about 33 times compared with berberine. The binding became more entropically driven with increasing chain length. These results may be of potential use in the design of berberine derivatives and understanding of the structure-activity relationship for improved therapeutic applications.
}, issn = {1044-5498}, doi = {10.1089/dna.2010.1109}, author = {Islam, Md Maidul and Basu, Anirban and Hossain, Maidul and Sureshkumar, Gopalsamy and Hotha, Srinivas and Kumar, Gopinatha Suresh} } @article { ISI:000291832600007, title = {Enhanced DSSC performance with high surface area thin anatase TiO2 nanoleaves}, journal = {Solar Energy}, volume = {85}, number = {6, SI}, year = {2011}, month = {JUN}, pages = {1213-1219}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Thin anatase TiO2 nanoleaves (NLs) with high surface area (similar to 93 m(2)/g) are synthesized by hydrothermal route and dye-sensitized solar cells (DSSC) made using such NLs are compared with those made with hydro-thermally synthesized TiO2 nanoparticles and the Degussa P25 powder. The NLs-based DSSCs show increment of 16\% and 24\% in the total conversion efficiency over the cells made with NPs and P25 respectively. Interestingly, the highest increment in the conversion efficiency (similar to 35\%) is achieved for cells made using a 50:50 (wt/wt) mixture of NLs and NPs. In this case the dye loading is found to be \>50\% higher than the case of NP films. Moreover the DC resistance of diffusion of I-3(-) in electrolyte (as revealed by the electrochemical impedance spectroscopy) is substantially lower than the NP film case, other cell parameters being nominally comparable. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Dye-sensitized solar cells, Electrochemical impedance spectroscopy, hydrothermal}, issn = {0038-092X}, doi = {10.1016/j.solener.2011.02.029}, author = {Dhas, Vivek V. and Muduli, Subas and Agarkar, Shruti A. and Rana, Abhimanyu and Hannoyer, Beatrice and Banerjee, Rahul and Ogale, Satishchandra B.} } @article { ISI:000290732000044, title = {Enhanced electrocatalytic performance of functionalized carbon nanotube electrodes for oxygen reduction in proton exchange membrane fuel cells}, journal = {Physical Chemistry Chemical Physics}, volume = {13}, number = {21}, year = {2011}, month = {APR}, pages = {10312-10317}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Although nitrogen doped CNTs (N-CNTs) are considered as a promising alternative to platinized carbon for the oxygen reduction reaction (ORR) in polymer electrolyte membrane fuel cells (PEMFCs), the origin of the enhanced ORR activity with N-CNTs is not clear at present. Among several plausible reasons, the exposure of edge plane and creation of impurity band/surface states near the Fermi level are considered as major causes behind the catalytic activity. However, CNTs without nitrogen doping are not known to catalyze the ORR. In this work, we study the ORR activity of functionalized carbon nanotubes with different functional groups, such as sulfonic acid and phosphonic acid, in order to understand the role of surface functionalities in catalyzing the reaction. Functionalized CNTs show significantly enhanced activity towards the ORR, while CNTs without such surface functional groups do not reveal any such special ORR activity. Linear sweep voltammetry experiments with different rotation rates show diffusion controlled limiting current values for functionalized CNTs, and the {\textquoteleft}n{\textquoteright} values derived from Koutecky-Levich plots are 3.3 and 1.7 for S-MWCNTs and P-MWCNTs, respectively. This work demonstrates the ORR activity of functionalized MWCNTs, which opens up new strategies for electrocatalyst design in PEMFCs.
}, issn = {1463-9076}, doi = {10.1039/c0cp02853c}, author = {Kannan, Ramaiyan and Bipinlal, Unni and Kurungot, Sreekumar and Pillai, Vijayamohanan K.} } @article { ISI:000287924700049, title = {Enhanced electrocatalytic performance of interconnected Rh nano-chains towards formic acid oxidation}, journal = {Energy \& Environmental Science}, volume = {4}, number = {3}, year = {2011}, month = {MAR}, pages = {1029-1036}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A chain-like assembly of rhodium nanoparticles (5-7 nm mean diameter) has been synthesized from rhodium chloride with the help of polydentate molecules like tartaric and ascorbic acids (1 : 3 in mM scale) as capping agents at room temperature. Subsequent characterization using transmission electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy reveals a unique inter-connected network like features, while their electrochemical behavior using cyclic voltammetry and current-time transient suggests potential applications as electrocatalysts in fuel cells. A significant negative shift in the onset potential as well as higher anodic peak current density for formic acid oxidation on Rh-tartaric acid (Rh-TA) as compared to that of bulk Rh metal confirms their higher electrocatalytic activity. Interestingly, the enhancement factor (R) with respect to that of bulk metallic Rh towards formic acid oxidation ranges up to 2000\% for Rh-TA and 1200\% for Rh-AA (Rh-ascorbic acid) respectively. The composition of Rh nano-chains has been further analyzed with thermogravimetry and Fourier transform infra-red spectroscopy to demonstrate the importance of controlling the chain topology using polyfunctional organic molecules. These findings open up new possibilities for tailoring nanostructured electrodes with potential benefits since the development of a better electrocatalysts for many fuel cell reactions continues to be an important challenge.
}, issn = {1754-5692}, doi = {10.1039/c0ee00219d}, author = {Sathe, Bhaskar R. and Balan, Beena K. and Pillai, Vijayamohanan K.} } @article { ISI:000294875200040, title = {Enhanced electron transport through template-derived pore channels in dye-sensitized solar cells}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {37}, year = {2011}, month = {SEP}, pages = {18342-18347}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Dye-sensitized solar cells use porous nanoparticle TiO(2) coating as their photoanode. To obtain effective dye adsorption and better electrolyte permeation in the TiO(2) coating, the porosity structure must be fully, three-dimensionally interconnected. Templated processing offers the advantage of preparing TiO(2) photoanodes in controlled shape and interconnection to the porosity structures that result, including the creation of dual size scale porosity in some cases. In the present work, an emulsion templating method was employed to obtain the dual porosity in the titania coating. We have studied the effect of the enhanced permeation of the electrolyte provided by these interconnected pore channels using electrochemical impedance spectroscopy. The change in internal resistances of the dye-sensitized solar cell during operation is correlated with the microstructural features using scanning electron microscopy, mercury porosimetry and I-V characterization.
}, issn = {1932-7447}, doi = {10.1021/jp204974d}, author = {Phadke, Sarika and Du Pasquier, Aurelien and Birnie, Dunbar P.} } @article { ISI:000294187400078, title = {Enhanced enzymatic hydrolysis of cellulose by partial modification of its chemical structure}, journal = {Carbohydrate Polymers}, volume = {86}, number = {2}, year = {2011}, month = {AUG}, pages = {962-968}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A series of 2,3-dialdehyde celluloses with different degrees of oxidation were used for deriving corresponding dicarboxylate, dicarboxy, and Schiff{\textquoteright}s base cellulose derivatives. The dialdehyde cellulose was hydrolyzed by cellulase to a lower extent than the starting cellulose, except at high levels of aldehyde content (above 50\%). For dicarboxylate and dicarboxy celluloses, the highest level of oxidized NaDCC and DCC hydrolysed up to 70 and 60\% respectively which was 3-4 times more than cellulose. The 2,3-dioxime cellulose derivative hydrolyzes only up to 16.3\% for the highest level of oxidized dioxime. In the case of 2,3-diethylimine cellulose, all derivatives hydrolyse faster than the native cellulose. Up to 75\% hydrolysis was observed for 2,3-diethyimine cellulose-50, 2,3-dipropylimine and 2,3-dibutylimine cellulose. The 2,3-dibenzylimine cellulose hydrolyses a little slower than the alkylimine derivatives. The 2,3-dihydrazone cellulose derivatives with all level of oxidation showed resistance towards enzymatic hydrolysis. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {2, 3-Dialdehyde celluloses, 3-Dibenzylimine cellulose, 3-Dibutylimine cellulose, 3-Dicarboxy celluloses, 3-Diethyimine cellulose, 3-Dihydrazone cellulose, 3-Dipropylimine cellulose, Cellulase, Enzymatic hydrolysis}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2011.05.067}, author = {Shaikh, H. M. and Adsul, Mukund G. and Gokhale, D. V. and Varma, Anjanikumar} } @article { ISI:000286431500017, title = {Enhanced stability of G-quadruplexes from conformationally constrained aep-PNA backbone}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {3}, year = {2011}, month = {NOV}, pages = {725-729}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Nucleic (DNA) acids having contiguous stretch of G sequence form quadruplex structure, which is very critical to control cell division. Recently the existence of G-quadruplex in RNA is also reported in presence of monovalent metal ion. PNA is a promising DNA analogue which binds strongly to DNA to form PNA: DNA duplex or PNA(2) : DNA triplex. PNA also forms quadruplexes such G-quadruplex and i-motif in G and C-rich sequences respectively. aep-PNA containing a prolyl ring is one of several PNA analogues that provide rigidity and chirality in backbone and has binding affinity to natural DNA which is higher than that of PNA. Here we examine the ability of aep-PNA-G to form a quadruplex by UV, CD and mass spectroscopic techniques.
}, issn = {1477-0520}, doi = {10.1039/c0ob00528b}, author = {Sharma, Nagendra K. and Ganesh, Krishna N.} } @article { ISI:000297662500023, title = {Enhancement of oxygen vacancies and solar photocatalytic activity of zinc oxide by incorporation of nonmetal}, journal = {Journal of Solid State Chemistry}, volume = {184}, number = {12}, year = {2011}, month = {DEC}, pages = {3273-3279}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
B-doped ZnO and N-doped ZnO powders have been synthesized by mechanochemical method and characterized by TG-DTA, XRD, SEM-EDX, XPS, UV-visible and photoluminescence (PL) spectra. X-ray diffraction data suggests the hexagonal wurtzite structure for modified ZnO crystallites and the incorporation of nonmetal expands the lattice constants of ZnO. The room temperature PL spectra suggest more number of oxygen vacancies exist in nonmetal-doped ZnO than that of undoped zinc oxide. XPS analysis shows the substitution of some of the O atoms of ZnO by nonmetal atoms. Solar photocatalytic activity of B-doped ZnO, N-doped ZnO and undoped ZnO was compared by means of oxidative photocatalytic degradation (PCD) of Bisphenol A (BPA). B-doped ZnO showed better solar PCD efficiency as compare to N-doped ZnO and undoped ZnO. The PCD of BPA follows first order reaction kinetics. The detail mechanism of PCD of Bisphenol A was proposed with the identification of intermediates such as hydroquinone, benzene-1,2,4-triol and 4-(2-hydroxypropan-2-yl) phenol. (C) 2011 Elsevier Inc. All rights reserved.
}, keywords = {Bisphenol A, Enhanced oxygen vacancies, Nonmetal doping, Photocatalysis, Sunlight}, issn = {0022-4596}, doi = {10.1016/j.jssc.2011.10.016}, author = {Patil, Ashokrao B. and Patil, Kashinath R. and Pardeshi, Satish K.} } @article { ISI:000293516200052, title = {Enthalpic approach to delineate the interactions of cations of imidazolium-based ionic liquids with molecular solvents}, journal = {Physical Chemistry Chemical Physics}, volume = {13}, number = {32}, year = {2011}, month = {JUN}, pages = {14715-14722}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We present a systematic investigation on the enthalpic assessment of the interactions operating between the cation and anion of four imidazolium ionic liquids with aqueous and various nonaqueous solvents. Accurate experimental information gathered with the help of an isothermal titration calorimeter at 298.15 K has been analyzed for excess partial molar enthalpy of the ionic liquid, H(IL)(E), in terms of hydrophobic and solvation effects. The variations in the limiting excess partial molar enthalpy of the ionic liquid, H(IL)(E infinity), have been correlated with solvent properties. We have quantified the enthalpic effects due to dissociation of ionic liquids in very dilute solutions and to clathrate formation with the increasing concentration of ionic liquid. A change in enthalpic behavior from endothermic to exothermic is observed on increasing the carbon chain length attached to the imidazolium ring. The solvent reorganization around the cationic species has been unraveled by employing the ionic liquid interaction parameters called as H(IL-IL)(E) deduced from the H(IL)(E) data. The apparent relative molar enthalpy, phi(L), derived from H(IL)(E) data has been examined in the light of the specific ion interaction theory as advanced by Pitzer with accurate results.
}, issn = {1463-9076}, doi = {10.1039/c1cp20888h}, author = {Rai, Gitanjali and Kumar, Anil} } @article { ISI:000294373200122, title = {Environmental potential applications of alkali metal exchanged zeolite x in carbon dioxide adsorption}, journal = {Research Journal of Chemistry and Environment }, volume = {15}, number = {2}, year = {2011}, month = {JUN}, pages = {661-671}, publisher = {DR JYOTI GARG}, address = {SECTOR A/80 SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE MP, 452 010, INDIA}, abstract = {
The increasing atmospheric CO2 concentration, mainly caused by the Thermal Power Stations, Industrial sector and fossil fuel combustion, has led to consequences of global warming. Zeolitic adsorption processes is more promising, energy saving and viable method for CO2 removal in Comparison to other technologies. In order to examine the behavior and to establish the trends in carbon dioxide sorption, NaX zeolite (Si/Al = 1.15) and it{\textquoteright}s the modified forms with identical degree (55.5 +/- 2.5) of exchange by K+, Rb+ and Cs+ cations have been selected., The samples were characterized by powder XRD, Low temperature nitrogen adsorption/desorption measurements, chemical analysis and also for the intermediate electronegativity and the partial charges on the atoms using Sanderson{\textquoteright}s electronegativity equalization principle. The isotherms of carbon dioxide using these NaX, NaKX, NaRbX and NaCsX samples were measured at an interval of 30 K in the temperature range of 273 to 363 K up to 600 Torr. The uptake of CO2 was found to depend on both, the size of the nonframework cation and the temperature at which the isotherms were measured. The cations with lower charge density will have lower extent of electrostatic interaction with the sorbate molecules. Since CO2 has more linear quadrupole moment, it interacts mainly with the extra-framework cations and framework oxygen. The carbon dioxide sorption data satisfactorily represented by Langmuir and also analyzed for the chemical affinity. The Isosteric heat (q(st)) of NaX for the coverage of 20 molecules per unit cell is nearly equal to 26 kJ, mol(-1). The NaX and NaKX comparatively show a flat heat profile with the increasing amount sorbed than those of NaRbX and NaCsX indicating a balance between the strength of energetic heterogeneity of sorbate-sorbent interactions and sorbate-sorbate interactions.
}, keywords = {CO2 sorption, Ionic exchange, Isosteric heat, NaX zeolite, Theoretical models}, issn = {0972-0626}, author = {Joshi, U. D. and Joshi, P. N. and Roh, H. S. and Yoon, W. L. and Shiralkar, V. P.} } @article { ISI:000293491600007, title = {Esterification of fatty acids with glycerol over Fe-Zn double-metal cyanide catalyst}, journal = {Catalysis Communications}, volume = {12}, number = {14}, year = {2011}, month = {AUG}, pages = {1302-1306}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Solid Fe-Zn double-metal cyanide (DMC) complex exhibits high catalytic activity for esterification of fatty acids (FA) with glycerol. DMC catalysts with varying acidities were prepared by synthesizing the material at four different temperatures (10, 25, 50 and 80 degrees C). The catalyst prepared at 50 degrees C exhibited highest catalytic activity. Catalytic activity of DMC was influenced by both acidity and surface area. Complete conversion of FA was achieved at 140-200 degrees C under atmospheric pressure. Chain length of FA was found to influence the rate of reaction and product selectivity. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Acid-catalyzed reaction, Double-metal cyanide (DMC), Esterification of fatty acid, Fatty acid glycerides, solid acid catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2011.05.008}, author = {Kotwal, Mehejabeen and Deshpande, Suvarna S. and Srinivas, D.} } @article { ISI:000287281900003, title = {Esterification of levulinic acid to n-butyl levulinate over heteropolyacid supported on acid-treated clay}, journal = {Journal of Natural Gas Chemistry}, volume = {20}, number = {1}, year = {2011}, month = {JAN}, pages = {18-24}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Levulinic acid has been identified as a promising green, biomass-derived platform chemical. n-Butyl levulinate is used as an important intermediate having diverse applications. The present work focuses on the synthesis of n-butyl levulinate by esterification of levulinic acid with n-butanol using heteropolyacid (HPA) supported on acid-treated clay montmorillonite (K10). 20\% (w/w) dodecatungestophosphoric acid (DTPA) supported on K10 was found to be the most efficient catalyst with 97\% levulinic acid conversion and 100\% selectivity towards n-butyl levulinate. Effects of various process parameters were studied to examine the efficacy of 20\% (w/w) DTPA/K10 for optimization of the activity.
}, keywords = {dodectungestophosphoric acid, K10, levulinic acid, n-butanol, n-Butyl levulinate}, issn = {1003-9953}, doi = {10.1016/S1003-9953(10)60147-8}, author = {Dharne, S. and Bokade, Vijay V.} } @article { ISI:000292011000004, title = {Eutectic mixture-directed kinetics of Diels-Alder reaction}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {50}, number = {6}, year = {2011}, month = {JUN}, pages = {788-792}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
In the search for environmentally benign solvent media, a new class of solvents composed of mixtures of carbohydrates with urea or methylated urea has been noted to be effective in enhancing the reaction rates of a bimolecular organic reaction like the Diels-Alder reaction of cyclopentadiene with methyl acrylate. The viscosity of these media appears to be an important parameter in controlling the second order kinetics.
}, keywords = {carbohydrates, Cycloaddition, Diels-Alder reaction, Dimethylurea, kinetics, Reaction rates, solvent effects, Urea, viscosity}, issn = {0376-4710}, author = {Nagare, Amit S. and Kumar, Anil} } @article { ISI:000294359100090, title = {Evidence of lateral heat transfer during laser assisted atom probe tomography analysis of large band gap materials}, journal = {Applied Physics Letters}, volume = {99}, number = {8}, year = {2011}, month = {AUG}, pages = {Article No. 084101}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Investigation of wustite (FeO), iron (Fe), and silicon (Si) specimens by infrared laser assisted three dimensional atom probe tomography shows evidence of confined surface absorption of the laser energy as the mechanism of laser assisted field evaporation for high band gap materials. The absorption region is shown to be located on the laser illumination side, close to the specimen apex. A simple model based on thermal diffusivity and spatial extent of the absorption region is derived and applied to the experimental results. The values of thermal diffusivity thus obtained are in good agreement with the published data. (C) 2011 American Institute of Physics. [doi:10.1063/1.3622647]
}, issn = {0003-6951}, doi = {10.1063/1.3622647}, author = {Bachhav, Mukesh N. and Danoix, R. and Vurpillot, F. and Hannoyer, Beatrice and Ogale, Satishchandra B. and Danoix, F.} } @article {42524, title = {Exciton-coupled charge-transfer dynamics in a porphyrin J-aggregate/TiO 2 complex}, journal = {Chemistry a European Journal}, volume = {17}, year = {2011}, month = {MAR}, pages = {3458{\textendash}3464}, abstract = {
Exciton-coupled charge-transfer (CT) dynamics in TiO2 nanoparticles (NP) sensitized with porphyrin J-aggregates has been studied by femtosecond time-resolved transient absorption spectroscopy. J-aggregates of 5,10,15-triphenyl-20-(3,4-dihydroxyphenyl) porphyrin (TPPcat) form CT complexes on TiO2 NP surfaces. Catechol-mediated strong CT coupling between J-aggregate and TiO2 NP facilitates interfacial exciton dissociation for electron injection into the conduction band of the TiO2 nanoparticle in pulse width limited time (\<80 fs). Here, the electron-transfer (\<80 fs) process dominates over the intrinsic exciton-relaxation process (J-aggregates: ca. 200 fs) on account of exciton-coupled CT interaction. The parent hole on J-aggregates is delocalized through J-aggregate excitonic coherence. As a result, holes immobilized on J-aggregates are spatially less accessible to electrons injected into TiO2, and thus the back electron transfer (BET) process is slower than that of the monomer/TiO2 system. The J-aggregate/porphyrin system shows exciton spectral and temporal properties for better charge separation in strongly coupled composite systems.
}, doi = {10.1002/chem.201002537}, author = {Verma, Sandeep and Ghosh, Amrita and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000296390600030, title = {Experimental and computational approach of understanding the gas adsorption in amino functionalized interpenetrated metal organic frameworks (MOFs)}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {44}, year = {2011}, month = {OCT}, pages = {17737-17745}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Two isostructural, three dimensional, interpenetrated, amino (-NH2) functionalized Metal Organic Frameworks [Cd(ANIC)(2)] (Cd-ANIC-1) and [Co(ANIC)(2)] (Co-ANIC-1) with amine-lined pores have been reported. The framework adopts dia topology with interpenetration. Cd-ANIC-1 and Co-ANIC-1 show high CO2 (273 K) and H-2 (77 K) uptake due to the presence of free -NH2 groups and framework interpenetration. The effect of interpenetration and amino functionalization on gas uptake properties of MOFs has been analysed experimentally and computationally, in the isostructural MOFs Cd-ANIC-1 and Co-ANIC-1.
}, issn = {0959-9428}, doi = {10.1039/c1jm13762j}, author = {Pachfule, Pradip and Chen, Yifei and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000290409100007, title = {Exploration of L-proline-catalyzed -aminoxylation of aldehyde to (S)-guaifenesin-related drug molecules}, journal = {Synthetic Communications}, volume = {41}, number = {13}, year = {2011}, month = {MAY}, pages = {PII 937137930}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
[image omitted] An efficient enantioselective synthesis of (S)-guaifenesin with 99\% ee using L-proline-catalyzed -aminoxylation of aldehyde as key step is described and explored for asymmetric syntheses of (S)-moprolol and (R)-methocarbamol.
}, keywords = {-Aminoxylation, guaifenesin, methocarbamol, moprolol, Proline}, issn = {0039-7911}, doi = {10.1080/00397911.2010.493631}, author = {Panchgalle, Sharad P. and Kunte, Sunita S. and Chavan, Subhash P. and Kalkote, Uttam R.} } @article { ISI:000287716400004, title = {Expression analysis of cinnamoyl-CoA reductase (CCR) gene in developing seedlings of Leucaena leucocephala: A pulp yielding tree species}, journal = {Plant Physiology and Biochemistry}, volume = {49}, number = {2}, year = {2011}, month = {FEB}, pages = {138-145}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
Removal of lignin is a major hurdle for obtaining good quality pulp. Leucaena leucocephala (subabul) is extensively used in paper industry in India; therefore, as a first step to generate transgenic plants with low lignin content, cDNA and genomic clones of CCR gene were isolated and characterized. The cDNA encoding CCR (EC 1.2.1.44) was designated as LI-CCR; the sequence analysis revealed an Open Reading Frame (ORF) of 1005 bp. Phylogenetic analysis showed that LI-CCR sequence is highly homologous to CCRs from other dicot plants. The 2992 bp genomic clone of Leucaena CCR consists of 5 exons and 4 introns. The haploid genome of L leucocephala contains two copies as revealed by DNA blot hybridization. LI-CCR gene was over-expressed in Escherichia coli, which showed a molecular mass of approximately 38 kDa. Protein blot analysis revealed that LI-CCR protein is expressed at higher levels in root and in stem, but undetectable in leaf tissues. Expression of CCR gene in Leucaena increased up to 15 d in case of roots and stem as revealed by QRT-PcR studies in 0-15 d old seedlings. ELISA based studies of extractable CCR protein corroborated with QRT-PCR data. CCR protein was immuno-cytolocalized around xylem tissue. Lignin estimation and expression studies of 5,10 and 15 d old stem and root suggest that CCR expression correlates with quantity of lignin produced, which makes it a good target for antisense down regulation for producing designer species for paper industry. (C) 2010 Elsevier Masson SAS. All rights reserved.
}, keywords = {Cinnamoyl-CoA reductase, Developing seedling, Leucaena leucocephala, Lignin biosynthesis}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2010.11.001}, author = {Srivastava, Sameer and Gupta, Ranadheer K. and Arha, Manish and Vishwakarma, Rishi K. and Rawal, Shuban K. and Kishor, P. B. Kavi and Khan, Bashir Mohammad} } @article { ISI:000288386600076, title = {Ex-situ dispersion of core-shell nanoparticles of Cu-Pt on an in situ modified carbon surface and their enhanced electrocatalytic activities}, journal = {Chemical Communications}, volume = {47}, number = {13}, year = {2011}, month = {FEB}, pages = {3951-3953}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Direct dispersion of core-shell nanoparticles on a carbon support (Cu@ Pt/C) has been achieved while retaining the essential core-shell features of the nanoparticles by adopting an in situ surface modification-cum-anchoring strategy.
}, issn = {1359-7345}, doi = {10.1039/c0cc05645f}, author = {Dhavale, Vishal M. and Unni, SreeKuttan M. and Kagalwala, Husain N. and Pillai, Vijayamohanan K. and Kurungot, Sreekumar} } @article {42452, title = {Extending nhc-catalysis: reaction of aldehydes with unconventional reaction partners}, journal = {Accounts of Chemical Research}, volume = {44}, year = {2011}, month = {JUL}, pages = {1182{\textendash}1195}, abstract = {
Transition metal catalysis is a powerful means of effecting organic reactions, but it has some inherent drawbacks, such as the cost of the catalyst and the toxicity of the metals. Organocatalysis represents an attractive alternative and, in some cases, offers transformations unparalleled in metal catalysis. Unique transformations are a particular hallmark of N-heterocyclic carbene (NHC) organocatalysis, a versatile method for which a number of modes of action are known. The NHC-catalyzed umpolung (that is, the inversion of polarity) of electrophilic aldehydes, through formation of the nucleophilic Breslow intermediate, is probably the most important mode of action. In this Account, we discuss the reaction of Breslow intermediates with unconventional reaction partners.
}, doi = {10.1021/ar2000716}, author = {Biju, Akkattu T. and Kuhl, Nadine and Glorius, Frank} } @article { ISI:000286852900002, title = {Extrudate swell of linear and branched polyethylenes: ALE simulations and comparison with experiments}, journal = {Journal of Non-Newtonian Fluid Mechanics}, volume = {166}, number = {1-2}, year = {2011}, month = {JAN}, pages = {12-24}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Extrudate swell is a common phenomenon observed in the polymer extrusion industry. Accurate prediction of the dimensions of an extrudate is important for appropriate design of dies for profile extrusion applications. Prediction of extrudate swell has been challenging due to (i) difficulties associated with accurate representation of the constitutive behavior of polymer melts, and (ii) difficulties associated with the simulation of free surfaces, which requires special techniques in the traditionally used Eulerian framework. In a previous work we had argued that an Arbitrary Lagrangian Eulerian (ALE) based finite element formulation may have advantages in simulating free surface deformations such as in extrudate swell. In the present work we reinforce this argument by comparing our ALE simulations with experimental data on the extrudate swell of commercial grades of linear polyethylene (LLDPE) and branched polyethylene (LOPE). Rheological behavior of the polymers was characterized in shear and uniaxial extensional deformations, and the data was modeled using either the Phan-Thien Tanner (PTT) model or the eXtended Pom-Pom (XPP) model. Additionally, flow birefringence and pressure drop measurements were done using a 10:1 contraction-expansion (CE) slit geometry in a MultiPass Rheometer. Simulated pressure drop and contours of the principal stress difference were compared with experimental data and were found to match well. This provided an independent test for the accuracy of the ALE code and the constitutive equations for simulating a processing-like flow. The polymers were extruded from long (L/D=30) and short (L/D=10) capillaries dies at 190 degrees C. ALE simulations were performed for the same extrusion conditions and the simulated extrudate swell showed good agreement with the experimental data. Crown Copyright (C) 2010 Published by Elsevier B.V. All rights reserved.
}, keywords = {ALE-FEM, extrudate swell, Flow birefringence, MultiPass Rheometer, PSD, PTT, XPP}, issn = {0377-0257}, doi = {10.1016/j.jnnfm.2010.10.001}, author = {Ganvir, Vivek and Gautham, Basavarsu P. and Pol, Harshawardhan and Bhamla, M. Saad and Sclesi, Lino and Thaokar, Rochish and Lele, Ashish K. and Mackley, Malcolm} } @article { ISI:000291525400022, title = {Fabrication, thermal and electrical properties of polyphenylene sulphide/copper composites}, journal = {Materials Chemistry and Physics}, volume = {128}, number = {1-2}, year = {2011}, month = {JUL}, pages = {114-120}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The thermal and electrical properties of high performance poly(phenylene sulphide) (PPS) composites reinforced up to 31 vol\% Cu particles were investigated to be used as materials for electronic applications. The thermal stability and char yield of the composites increased significantly. Both pre- and post- glass transition coefficient of thermal expansion (CTE) of composites decreased significantly. The microhardness was increased by more than 50\% compared to pure PPS matrix. Microhardness and CTE of composites correlated well with the rule of mixtures. A percolation threshold about 6 vol\% Cu was obtained. The electrical conductivity was increased by about eight orders of magnitude for 18 vol\% composite. Dielectric constant and dissipation factor of composites at 1 MHz was increased by about 6-fold and 70-fold compared to matrix, respectively. They decreased gradually with increasing frequency up to 1 MHz and thereafter, there was insignificant change. The scanning electron microscope showed almost uniform distribution of Cu particles in the matrix. Owing to better dimensional stability and good electrical properties, these composites are very promising for electronic applications. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Dielectric property, Electrical conductivity, hardness, Thermal expansion}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2011.02.065}, author = {Goyal, R. K. and Kambale, K. R. and Nene, S. S. and Selukar, B. S. and Arbuj, Sudhir S. and Mulik, Uttam P.} } @article { ISI:000287530700045, title = {Facile construction of non-precious iron nitride-doped carbon nanofibers as cathode electrocatalysts for proton exchange membrane fuel cells}, journal = {Chemical Communications}, volume = {47}, number = {10}, year = {2011}, month = {JAN}, pages = {2910-2912}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We demonstrate a facile construction of iron nitride-doped carbon nanofiber by effectively utilizing the existing slit pores and rough edges along the inner wall of the substrate as originated by virtue of its cup-stack structure for effectively increasing the number of active sites and consequently the oxygen reduction activity.
}, issn = {1359-7345}, doi = {10.1039/c0cc04605a}, author = {Palaniselvam, Thangavelu and Kannan, Ramaiyan and Kurungot, Sreekumar} } @article { ISI:000288979400008, title = {Facile synthesis of N-benzylated 3-alkyl-2,6-diarylpiperidin-4-ones: Stereochemical investigation by 1D/2D NMR and single-crystal XRD}, journal = {Journal of Molecular Structure}, volume = {990}, number = {1-3}, year = {2011}, month = {MAR}, pages = {44-56}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A series of thirteen 1-benzyl-3-alkyl-2,6-diarylpiperidin-4-ones 14-26 were conveniently synthesized in high yields 87-92\%. In order to find the impact on piperidone stereochemistry, beside the N-benzylation, methyl/ethyl/isopropyl groups at C-3 and halo/alkyl/alkoxy/benzyloxy groups on the phenyl rings at C-2/C-6 were introduced. All the synthesized compounds were characterized by mass, (1)H and (13)C NMR spectral studies. Of them, the 1-benzyl-3-ethyl-2,6-diphenylpiperidin-4-one 22 was completely characterized by 2D NMR techniques such as (1)H-(1)H COSY, (1)H-(13)C COSY and NOESY to assign the signals, unambiguously. The proton coupling constants and NOE correlations provided the complete stereochemistry of 22, which is further witnessed by its single-crystal XRD analysis. The NMR and XRD studies revealed that the compound 22 exists in a chair conformation with equatorial orientation of all the substituents in both solution and solid states. On the basis of their vicinal coupling constants, the chair conformation with equatorial orientation of the substituents at C-2, C-3, C-6 and N is proposed for all compounds 14-26; moreover, a considerable population of boat conformation also suggested for the compound 26 along with the predominant chair conformation, in solution. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {2D NMR, Conformation, N-benzylation, Piperidin-4-one, single-crystal XRD, Stereochemistry}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2010.12.054}, author = {Dindulkar, Someshwar D. and Parthiban, Paramasivam and Puranik, Vedavati G. and Jeong, Yeon Tae} } @article { ISI:000293756800010, title = {Facile synthesis of unusual glycosyl carbamates and amino acid glycosides from propargyl 1,2-orthoesters as glycosyl donors}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {17}, year = {2011}, month = {MAR}, pages = {5951-5959}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Propargyl 1,2-O-orthoesters are exploited for the synthesis of 1,2-trans O-glycosides of protected amino acids. N-Fmoc- and N-Cbz protected serine/threonine - benzyl/methyl esters reacted well with glucosyl-, galactosyl-, mannosyl- and lactosyl- derived propargyl 1,2-orthoesters affording respective 1,2-trans glycosides in good yields under AuBr(3)/4 angstrom MS Powder/CH(2)Cl(2)/rt. t-Boc serine derivative gave serine 1,2-orthoester and glycosyl carbamate. Optimized conditions enabled preparation of new glycosyl carbamates from N-Boc protected amines in a single step using gold catalysts and propargyl 1,2-orthoesters in excellent yields.
}, issn = {1477-0520}, doi = {10.1039/c1ob05056g}, author = {Shaikh, Ashif Y. and Sureshkumar, Gopalsamy and Pati, Debasish and Sen Gupta, Sayam and Hotha, Srinivas} } @article { ISI:000294874800029, title = {Factors Influencing the Kinetics of Esterification of Fatty Acids over Solid Acid Catalysts}, journal = {Energy \& Fuels}, volume = {25}, number = {9}, year = {2011}, month = {SEP}, pages = {4106-4112}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The kinetics of esterification of fatty acids with alcohols over three different solid acid catalysts, viz., large pore zeolite-beta (H beta), micro-mesoporous Fe-Zn double-metal cyanide (DMC), and mesoporous Al-MCM-41, have been reported. Hydrophobicity of these catalysts increases in the order: Al-MCM-41 \< H beta \< DMC. The chain lengths of the fatty acid (C(8.0)-C(18.1)) and alcohol (C(1)-C(8)) molecules have been varied, and their influence on kinetic parameters has been studied. The present study reveals that porosity and surface hydrophobicity of the catalyst are the two important factors other than acid properties (concentration and strength of acid centers) that influence the esterification reaction.
}, issn = {0887-0624}, doi = {10.1021/ef2009138}, author = {Satyarthi, Jitendra Kumar and Radhakrishnan, Sambhu and Srinivas, Darbha} } @article { ISI:000293464100028, title = {Fe(III) complex of biuret-amide based macrocyclic ligand as peroxidase enzyme mimic}, journal = {Chemical Communications}, volume = {47}, number = {28}, year = {2011}, month = {JUN}, pages = {8016-8018}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An Fe(III) complex of a biuret-amide based macrocyclic ligand that exhibits both excellent reactivity for the activation of H(2)O(2) and high stability, especially at low pH and high ionic strength, is reported.
}, issn = {1359-7345}, doi = {10.1039/c1cc12686e}, author = {Panda, Chakadola and Ghosh, Munmun and Panda, Tamas and Banerjee, Rahul and Sen Gupta, Sayam} } @article { ISI:000288677200073, title = {Ferrocene based organometallic gelators: a supramolecular synthon approach}, journal = {Soft Matter}, volume = {7}, number = {7}, year = {2011}, month = {FEB}, pages = {3634-3641}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The supramolecular synthon namely primary ammonium dicarboxylate (PAD) synthon has been exploited to generate a new series of salt based low molecular weight gelators (LMWGs) derived from ferrocenedicarboxylic acid (FDCA) and primary amines Me-(CH2)(n)-NH2 (n = 3-15). While most of the salts are capable of forming gels with DMSO and DMF, nearly all of them show a tendency to form gels with at least one of the solvents studied. Structure property correlation based on single crystal and powder X-ray diffraction data in combination with optical-, scanning-, and transmission-electron microscopy reveals that the supramolecular synthon approach adopted herein for designing LMWGs is indeed useful and allows one to get an easy access to a new series of organometallic gelators.
}, issn = {1744-683X}, doi = {10.1039/c0sm01148g}, author = {Sahoo, Pathik and Puranik, Vedavati G. and Patra, A. K. and Sastry, P. U. and Dastidar, Parthasarathi} } @article { ISI:000299031600049, title = {Ferroelectric and electrical characterization of multiferroic BiFeO3 at the single nanoparticle level}, journal = {Applied Physics Letters}, volume = {99}, number = {25}, year = {2011}, month = {DEC}, pages = {Article No. 252905}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Ferroelectric BiFeO3 (BFO) nanoparticles deposited on epitaxial substrates of SrRuO3 (SRO) and La1-xSrxMnO3 (LSMO) were studied using band excitation piezoresponse spectroscopy (BEPS), piezoresponse force microscopy (PFM), and ferromagnetic resonance (FMR). BEPS confirms that the nanoparticles are ferroelectric in nature. Switching behavior of nanoparticle clusters were studied and showed evidence for inhomogeneous switching. The dimensionality of domains within nanoparticles was found to be fractal in nature, with a dimensionality constant of similar to 1.4, on par with ferroelectric BFO thin-films under 100 nm in thickness. Ferromagnetic resonance studies indicate BFO nanoparticles only weakly affect the magnetic response of LSMO. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3671392]
}, issn = {0003-6951}, doi = {10.1063/1.3671392}, author = {Vasudevan, R. K. and Bogle, Kashinath A. and Kumar, A. and Jesse, S. and Magaraggia, R. and Stamps, R. and Ogale, Satishchandra B. and Potdar, H. S. and Nagarajan, V.} } @article { ISI:000290015600029, title = {Field emission studies of silver nanoparticles synthesized by electron cyclotron resonance plasma}, journal = {Applied Surface Science}, volume = {257}, number = {16}, year = {2011}, month = {JUN}, pages = {7184-7189}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Field emission has been studied for silver nanoparticles (25-200 nm), deposited within a cylindrical silver target in an electron cyclotron resonance (ECR) plasma. Particle size distribution was controlled by optimum biasing voltages between the chamber and the target. Presence of non-oxidized silver was confirmed from the X-Ray diffraction analysis; however, thin protective layer of oxide was identified from the selective area electron diffraction pattern obtained with transmission electron microscopy. The silver nanoparticles were seen to exhibit hilly pointed like structures when viewed under the atomic force microscopy (AFM). The emissive properties of these particles were investigated by field emission microscopy. It is found that this technique of deposition is ideal for formation of nanoparticles films on different substrate geometries with size controllability as well as its application to emission devices. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Cold plasma, field emission, Nanoparticles, thin film}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2011.03.088}, author = {Purohit, Vishwas and Mazumder, Baishakhi and Bhise, Ashok B. and Poddar, Pankaj and Joag, Dilip S. and Bhoraskar, S. V.} } @article { ISI:000294386000007, title = {Finite temperature behavior of gas phase neutral Au-n (3 <= n <= 10) clusters: a first principles investigation}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {35}, year = {2011}, month = {SEP}, pages = {17278-17285}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{Relativistic density functional theory (DFT) based molecular dynamical simulations are performed on gold clusters with 3-10 atoms (Au-n
}, issn = {1932-7447}, doi = {10.1021/jp2023605}, author = {De, Himadri Sekhar and Krishnamurty, Sailaja and Mishra, Deepti and Pal, Sourav} } @article { ISI:000295444000015, title = {First asymmetric synthesis of the antiepileptic drug lacosamide (Vimpat (R)) based on a hydrolytic kinetic resolution strategy}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {12}, year = {2011}, month = {JUN}, pages = {1353-1357}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient asymmetric synthesis of the new antiepileptic drug, Lacosamide is described in high enantiopurity (\>98\% ee), using Jacobsen{\textquoteright}s hydrolytic kinetic resolution strategy as a key step. (C) 2011 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.07.024}, author = {Muthukrishnan, Murugan and Mujahid, Mohammad and Sasikumar, M. and Mujumdar, P.} } @article { ISI:000290297800015, title = {First total synthesis of 5-hydroxy-3-methyl-4-propylsulfanyl-5H-furan-2-one: a cancer chemopreventive agent}, journal = {Synthesis-Stuttgart}, number = {10}, year = {2011}, month = {MAY}, pages = {1595-1598}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
The first total synthesis of 5-hydroxy-3-methyl-4-propylsulfanyl-5H-furan-2-one, a newly discovered natural product with anticancer property is described by two different routes. A sequence involving an incorporation of a methyl group via a Gilman reagent and a chemoselective reduction of a cyclic anhydride functionality are the key steps. The methods proposed start from easily available starting materials and allow ready preparation of the final compound in good overall yield.
}, keywords = {Allium cepa, chemopreventive, Gilman reagent, selective, synthesis}, issn = {0039-7881}, doi = {10.1055/s-0030-1260004}, author = {Borikar, Sanjay P. and Paul, Vincent and Puranik, Vedavati G. and Sathe, Vilas T. and Lagunas-Rivera, Selene and Ordonez, Mario} } @article { ISI:000288576700003, title = {Fluorescence resonance energy transfer from tryptophan to folic acid in micellar media and deionised water}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {103}, number = {1}, year = {2011}, month = {APR}, pages = {16-21}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The fluorescence resonance energy transfer (FRET) from tryptophan (Trp) to folic acid (FA) in aqueous sodiumdodecyl sulphate, cetyltrimethyl ammonium bromide, and Brij-35 as well as deionised water was investigated using steady state and time resolved fluorescence techniques. The data obtained from steady state fluorescence spectral studies and time resolved measurement indicated that the FRET from Trp to FA occurred most effectively in aqueous sodium dodecyl sulphate micellar solutions. The distance between Trp and FA were evaluated. Binding constant, number of binding sites and thermodynamic parameters were determined for Trp-FA interactions in deionised water. The values of the thermodynamic parameters suggest that the hydrophobic forces and hydrogen bonding are the key interacting forces between Trp-FA interaction. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Fluorescence quenching, Fluorescence resonance energy transfer (FRET), Folic acid, Foster theory, Stern-Volmer plot, Tryptophan}, issn = {1011-1344}, doi = {10.1016/j.jphotobiol.2011.01.006}, author = {Mote, U. S. and Patil, S. R. and Bhosale, Siddharth H. and Han, Sung-Hwan and Kolekar, G. B.} } @inbook {43387, title = {Fluoride contamination of water: origin, health effects and remediation methods}, booktitle = {Fluoride}, year = {2011}, pages = {159-176}, publisher = {Nova Publishers Inc., New York}, organization = {Nova Publishers Inc., New York}, chapter = {Fluoride contamination of water: origin, health effects and remediation methods}, address = {New York}, abstract = {
Fluorine is the 13th most abundant element in the earth?s crust. It exists in trace amounts in ground water all over the world. Drinking water is the primary source through which fluoride enters the human body, especially in regions where fluoride concentrations in groundwater and/or surface water are high. It is estimated that more than 200 million people worldwide depend on drinking water with fluoride concentration exceeding the present World Health Organization (WHO) guideline (Maximum contaminant level of 1.5 mg/l). Fluoride bearing foodstuffs and fumes from burning of coal also significantly contribute to the daily intake of people in some regions. Prolonged consumption of excess fluoride may lead to different types of fluorosis (dental and skeletal) depending on the level and period of exposure. Presence of fluoride in drinking water above permissible level has been related to increased incidence of fluorosis among the people all over the world including China, India, Australia, Mexico, Argentina, Egypt and Kenya. In India, the problem of excessive fluoride in groundwater was first reported in 1937 in the state of Andhra Pradesh. More than 6 million people all over India are known to be seriously affected by fluorosis and another 62 million are exposed to it. The best choice for combating fluorosis is to have alternative source of water with low fluoride level. In absence of alternative source of water, defluoridation of excess fluoride in water is the only option. Different methods are available for defluoridation of water. But the selection of the appropriate method for achieving a sustainable solution to the fluorosis problem is very important. Defluoridation of drinking water by adsorption is the most simple and effective technology that can work in household as well as community level drinking water treatment. It is also the most widely studied method for defluoridation of water, as the fluoride concentration in groundwater is usually very low (10 mg/l). A wide variety of adsorbents have been explored for this purpose. Synthetic layered double hydroxides are comparatively new materials examined for the adsorption of fluorides and they exhibit good fluoride adsorption capacity. A discussion on various defluoridation methods, adsorbents for defluoridation and recent developments are presented in this chapter.
}, author = {Mandal, Sujata and Mayadevi, S.} } @article {42523, title = {Folding and unfolding movements in a [2]pseudorotaxane}, journal = {Journal of Organic Chemistry}, volume = {76}, year = {2011}, month = {DEC}, pages = {138{\textendash}144}, abstract = {
A new dibenzo[24]crown-8 derivative (1) was synthesized and functionalized with aromatic moieties such as naphthalene and coumarin units. These two fluorophores are known to form an effective FRET (Forster resonance energy transfer) pair, and this formed the basis for the design of this host crown ether derivative. Results of the steady-state and time-resolved fluorescence studies confirmed the resonance energy transfer between the donor naphthalene moiety and acceptor coumarin fragment, while NMR spectra and computational studies support a folded conformation for the uncomplexed crown ether 1. This was found to form an inclusion complex, a [2]pseudorotaxane type with imidazolium ion derivatives as the guest molecules with varying alkyl chain lengths ([C4mim]+ or [C10mim]+). The host crown ether (1) tends to adopt an open conformation on formation of the interwoven inclusion complex (1{\textperiodcentered}[C4mim]+ or 1{\textperiodcentered}[C10mim]+). This change in conformation, from the folded to a open one, was predicted by computational as well as 1H NMR studies and was confirmed by single crystal X-ray structure for one (1{\textperiodcentered}[C4mim]+) of the two inclusion complexes. The increase in the effective distance between the naphthalene and coumarin moieties in the open conformation of these inclusion complexes was also supported by the decrease in the effective FRET process that was operational between naphthalene and coumarin moieties in the free molecule (1). Importantly, this inclusion complex formation was found to be reversible, and in the presence of a stronger base/polar solvent, such as triethyl amine/DMSO, the deprotonation/effective solvation of the cationic imidizolium ions ([C4mim]+ or [C10mim]+) resulted in decomplexation or dethreading with restoration of the original emission spectra for 1, which signifies the subsequent increase in the FRET process. Thus we could demonstrate that a molecular folding-unfolding type of movement in the crown ether derivative could be induced by chemical input as an imidazolium ion.
}, doi = {10.1021/jo101762k}, author = {Suresh, Moorthy and Mandal, Amal Kumar and Kesharwani, Manoj K. and Adarsh, N. N. and Ganguly, Bishwajit and Kanaparthi, Ravi Kumar and Samanta, Anunay and Das, Amitava} } @article { ISI:000295564100011, title = {Formal synthesis of valiolamine from myo-inositol}, journal = {Tetrahedron}, volume = {67}, number = {41}, year = {2011}, month = {OCT}, pages = {7963-7970}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient formal synthesis of racemic valiolamine starting from readily available myo-inositol is reported. In all the synthetic steps only one regioisomer is formed, which circumvents laborious purification of products. Regioselective benzylation of myo-inositol orthoformate, super-hydride mediated deoxygenation of a cyclitol derivative and stereoselective addition of dichloromethyllithium to an inosose are the key reactions in the synthesis. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Amino sugar, Carbohydrate, Cyclitol, Inositol, Natural product, Valiolamine}, issn = {0040-4020}, doi = {10.1016/j.tet.2011.08.027}, author = {Jagdhane, Rajendra C. and Shashidhar, Mysore S.} } @article { ISI:000292892700066, title = {Fourier transform infrared spectroscopic method for monitoring hydroprocessing of vegetable oils to produce hydrocarbon-based biofuel}, journal = {Energy \& Fuels}, volume = {25}, number = {7}, year = {2011}, month = {JUL}, pages = {3318-3322}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A novel Fourier transform infrared spectroscopic method is reported, for the first time, to estimate the conversion of vegetable oil (soybean oil, for example) to hydrocarbon-based biofuel via hydroprocessing. The infrared peak attributed to the carboxyl group (O-C=O) is used as a marker to determine the conversion of fatty acid glycerides in soybean oil to hydrocarbons. Unlike the conventional gas chromatographic method, this new method of estimation is fast and requires no derivatization of the sample and predetermination of response factors of each chemical component in vegetable oil/product samples. H-1 and C-13 nuclear magnetic resonance spectroscopy techniques are also reported to substantiate and confirm the purity and product formation in the hydroprocessing reaction.
}, issn = {0887-0624}, doi = {10.1021/ef200722q}, author = {Satyarthi, Jitendra K. and Srinivas, Darbha} } @article { ISI:000291323000062, title = {Fractal impeller for stirred tank reactors}, journal = {Industrial \& Engineering Chemistry Research}, volume = {50}, number = {12}, year = {2011}, month = {JUN}, pages = {7667-7676}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Stirred tank reactors are used for variety of applications at different scales of operation. The conventional impellers tend to develop regions having nonuniform energy dissipation rates in the stirred reactor. In this work, we propose a novel fractal impeller, which helps in reducing such nonuniformities and help develop a uniform randomness throughout the reactor. The impeller geometry is discussed in detail. Experimental measurements of the power consumption, mixing time, suspension quality, and the ability for gas dispersion were carried out, and the performance is compared with the conventional impellers. The impeller is seen to have a low power number, and it can generate a uniform suspension of particles even at relatively lower impeller speeds and can efficiently disperse gas into liquid to yield relatively higher gas hold-up values. The Fourier analysis of the power consumption time series data indicates that no specific prominent frequency events exist in the reactor, and the spectrum showed several frequency events to exist in the reactor with almost identical prominence.
}, issn = {0888-5885}, doi = {10.1021/ie200301y}, author = {Kulkarni, Amol A. and Jha, Neha and Singh, Abhishek and Bhatnagar, Sumit and Kulkarni, Bhaskar D.} } @article { ISI:000293518300007, title = {From graphite oxide to highly water dispersible functionalized graphene by single step plant extract-induced deoxygenation}, journal = {Green Chemistry}, volume = {13}, number = {8}, year = {2011}, month = {JUL}, pages = {1990-1996}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report a single step facile synthesis of highly water dispersible functionalized graphene nanosheets by plant extract-induced deoxygenation of graphite oxide (GO). The results of various characterizations reveal that the properties of such plant extract-converted graphene nanosheets (PCGN) are comparable to chemically converted graphene nanosheets (CCG). These results open a green route to the emerging graphene-based technologies.
}, issn = {1463-9262}, doi = {10.1039/c1gc15393e}, author = {Mhamane, Dattakumar and Ramadan, Wegdan and Fawzy, Manal and Rana, Abhimanyu and Dubey, Megha and Rode, Chandrashekhar and Lefez, Benoit and Hannoyer, Beatrice and Ogale, Satishchandra} } @article { ISI:000294701600022, title = {Functionalization of SBA-15 mesoporous materials using {\textquoteleft}{\textquoteleft}thiol-ene click{\textquoteright}{\textquoteright} michael addition reaction}, journal = {Journal of Physical Chemistry C }, volume = {115}, number = {36}, year = {2011}, month = {SEP}, pages = {17774-17781}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Methacrylate-labeled SBA-15 has been successfully synthesized from calcined SBA-15 and commercially available 3-trichlorosilyl propylmethacrylate. This material undergoes efficient thiol-ene {\textquoteleft}{\textquoteleft}click reaction{\textquoteright}{\textquoteright} with a variety of both thiol and disulfide-containing substrates in aqueous and organic media. The products were thoroughly characterized by a variety of analytical techniques including multinuclear (C-13, Si-29) solid-state NMR, TG-DTA, and nitrogen adsorption desorption studies. Disulfide-containing substrates in which the TCEP-mediated reduction of the disulfide bond and its subsequent addition to the methacrylate group anchored in SBA-15 in one-pot were used to synthesize a silica-protein hybrid material composed of biotin-labeled SBA-15 and streptavidin. Electrochemically active material was synthesized from the reaction of ferrocene-containing thiol and the methacrylate-labeled SBA-15. The ease of synthesis for the methacrylate-labeled SBA-15 material together with its ability to undergo efficient chemoselective thiol-ene reaction would make it a very attractive platform for the development of covalently anchored enzymes and sensors.
}, issn = {1932-7447}, doi = {10.1021/jp2056442}, author = {Kumari, Sushma and Malvi, Bharmana and Ganai, Anal Kumar and Pillai, Vijayamohanan K. and Sen Gupta, Sayam} } @article { ISI:000286469900005, title = {Gamma-initiated oxidation of isotactic polypropylene: effect of gamma-dose rate on durability}, journal = {Arabian Journal for Science and Engineering}, volume = {36}, number = {1}, year = {2011}, month = {JAN}, pages = {29-38}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
The effect of gamma-irradiation dose rate on the chemical, molecular, and mechanical properties of isotactic polypropylene (iPP) films was investigated using three different Co-60 sources with dose rates of 600, 660, and 780 Gy h(-1). Fourier transform infrared spectroscopy coupled with chemical derivatization with NO and SF4, and measurements of the elongation at break, toughness, and molecular weight were used to describe the effects of gamma-dose rate on iPP. It was found that the formation of oxidation products depended significantly on the dose rate. However, the kinetic accumulation of ketones were more sensitive to the dose rate of gamma source. Degradation induced by gamma-radiation depends on the dose rate-the degradation of mechanical properties was more significant at a low dose rate than at a high dose rate. It was found that the lower the dose rate, the higher the degree of oxidation in terms of the formation of gamma-products. The mechanism of gamma-degradation is discussed based on the correlation between the changes in chemical and physical properties upon exposure to gamma-radiation.
}, keywords = {Chemical and physical properties, Dose rate, gamma-irradiation, polypropylene}, issn = {1319-8025}, doi = {10.1007/s13369-010-0006-8}, author = {Alariqi, Sameh A. S. and Singh, R. P. and Rao, B. S. M.} } @article { ISI:000295256100040, title = {Genome sequence of idiomarina sp strain a28l, isolated from pangong lake, india}, journal = {Journal of Bacteriology}, volume = {193}, number = {20}, year = {2011}, month = {OCT}, pages = {5875-5876}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {
Idiomarina sp. strain A28L was isolated from the alkaline brackish water of a high-altitude lake, Pangong Lake. Here, we present the draft genome of Idiomarina sp. strain A28L, which contains 2,591,567 bp with a G + C content of 45.5 mol\% and contains 2,299 protein-coding genes and 56 structural RNAs.
}, issn = {0021-9193}, doi = {10.1128/JB.05648-11}, author = {Gupta, Hemant Kumar and Singh, Ajit and Sharma, Rakesh} } @article { ISI:000295256100039, title = {Genome sequence of rheinheimera sp strain A13L, isolated from pangong lake, india}, journal = {Journal of Bacteriology}, volume = {193}, number = {20}, year = {2011}, month = {OCT}, pages = {5873-5874}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {
Rheinheimera sp. strain A13L, which has antimicrobial activity, was isolated from alkaline brackish water of the high-altitude Pangong Lake of Ladakh, India. Here we report the draft genome sequence of Rhienheimera sp. strain A13L (4,523,491 bp with a G + C content of 46.23\%). The genome is predicted to contain genes for marinocine and colicin V production, which may be responsible for the antimicrobial activity of the strain.
}, issn = {0021-9193}, doi = {10.1128/JB.05636-11}, author = {Gupta, Hemant Kumar and Gupta, Rinkoo Devi and Singh, Ajit and Chauhan, Nar Singh and Sharma, Rakesh} } @article { ISI:000291568100065, title = {Glycerol mediated low temperature synthesis of nickel nanoparticles by solution reduction method}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {11}, number = {6}, year = {2011}, month = {JUN}, pages = {5131-5136}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
Phase pure Nickel nano-particles were synthesized by in-situ generation of nickel hydrazine hydrate complex (Ni-HH) followed by its decomposition in an alkaline glycerol medium. The synthesis can be performed in an open beaker with or without the use of surface protective reagents. By using the present method, Ni nano-particles can be prepared in large scale. The black nano-powders so-obtained were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), selected area electron diffraction (SAED), Scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), Fourier transform infra-red (FTIR) spectroscopy and thermal analysis (TGA). XRD and SAED analysis revealed that the synthesized particles were pure crystalline nickel with FCC structure.
}, keywords = {Chemical Reduction, Nano-Particles, synthesis, Transition Metal, XRD}, issn = {1533-4880}, doi = {10.1166/jnn.2011.4142}, author = {Singh, Kalpana and Kate, Kunal H. and Chilukuri, V. V. Satayanarayana and Khanna, P. K.} } @article { ISI:000292852100017, title = {Gold catalyzed glycosidations for the synthesis of sugar acrylate/acrylamide hybrids and their utility}, journal = {Carbohydrate Research}, volume = {346}, number = {12, SI}, year = {2011}, month = {SEP}, pages = {1511-1518}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Propargyl glyco 1,2-orthoesters were exploited for the efficient synthesis of interesting glycomonomers such as glyco-acrylates and acrylamides using gold catalysts. It was observed that propargyl glyco 1,2-orthoesters with hydroxyethyl acrylates gives very good yield of the corresponding glyco-acrylates in a single step in the presence of catalytic amount of gold(III) catalyst; whereas, gold catalyzed glycosidation reaction on hydroxyethyl acrylamides was found to yield the corresponding acrylamidoyl 1,2-orthoester which was then converted to the corresponding glycol-acrylamide in the presence of catalytic amount of TMSOTf. Synthesized glyco-acrylate/acrylamide monomers are shown to undergo thiolate addition as well as free radical polymerization (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {carbohydrates, Glycoacrylamides, Glycoacrylates, Glycopolymers, glycosylation, Gold}, issn = {0008-6215}, doi = {10.1016/j.carres.2011.04.018}, author = {Thadke, Shivaji A. and Kar, Mritunjoy and Sen Gupta, Sayam and Hotha, Srinivas} } @article { ISI:000285387600001, title = {Greener ullmann-type coupling of aryl halides for preparing biaryls using reusable Pd/ZrO2 catalyst}, journal = {Synthetic Communications}, volume = {41}, number = {2}, year = {2011}, month = {JAN}, pages = {PII 931249796}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Biaryls with excellent yields can be prepared by the Ullmann-type coupling of aryl halides in the presence of potassium carbonate (as a base) and dimethylformamide (as a solvent), at 140 degrees C, using a reusable Pd (2.5wt\%)/ZrO2 catalyst. The product yield of 4-iodoanisole coupling is strongly influenced by the catalyst preparation method, solvent, and base.
}, keywords = {Aryl halides, Biaryls, Pd, Ullmann coupling reaction, ZrO2}, issn = {0039-7911}, doi = {10.1080/00397910903531805}, author = {Dumbre, Deepa K. and Wakharkar, Radhika D. and Choudhary, Vasant R.} } @article { ISI:000296393500028, title = {Growth and structural properties of Mg-N (N=10-56) clusters: density functional theory study}, journal = {Journal of Physical Chemistry A}, volume = {115}, number = {44}, year = {2011}, month = {NOV}, pages = {12307-12314}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Using the minima hopping global geometry optimization method on density functional potential energy surface, we have studied the structural and electronic properties of magnesium clusters for a size range of Mg-N where N = 10-56. Our exhaustive search reveals that most of our global minima are nonsymmetric in the size range above N = 20. We elucidate the evolutionary trend of the entire series and present more details about the peculiar growth of the clusters. For N\> 20, it is possible to divide the cluster into two regions: the core region and the surface region. It turns out that the growth follows a peculiar cyclic pattern where the core and surface grow alternatively. The surface energy, as a function of number of atoms shows a clear signature as the number of atoms in the core increases by one. We have also carried out stability analysis and the stable sizes(magic numbers) agree very well with the experimental magic numbers reported by Diederich [J. Chem. Phys. 2011, 134, 124302]. We point out the similarities and differences between our results and sodium clusters.
}, issn = {1089-5639}, doi = {10.1021/jp204442e}, author = {Heidari, Ideh and De, Sandip and Ghazi, S. M. and Goedecker, Stefan and Kanhere, Dilip G.} } @article { ISI:000288784400025, title = {Growth of aligned ZnO nanorods array on ITO for dye sensitized solar cell}, journal = {Current Applied Physics}, volume = {11}, number = {1, 1, SI}, year = {2011}, note = {International Conference on Electronic Materials (IUMRS-ICEM), Seoul, SOUTH KOREA, AUG 22-27, 2010}, month = {JAN}, pages = {S113-S116}, publisher = {Int Union Mat Res Soc (IUMRS)}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Aligned ZnO films of nanorods arrays were grown on Indium doped Tin oxide (ITO) glass substrate for the Dye Sensitized Solar Cells (DSSCs) applications. Two-step approach was employed for the deposition, which offers advantages such as excellent surface adhesion, large area deposition, high reproducibility and yield. Structural characterization using X-ray diffraction (XRD) shows a preferred c-axis (002) oriented growth. Scanning Electron Microscopy (SEM) images reveals uniformly distributed hexagonal ZnO nanorods with average diameter varying from 80 to 250 nm. Average growth rate of the films was estimated using Surface Profilometer which was found to be similar to 1 mu m/h. Optical characterizations were carried out using Photo-spectrometer and Raman spectroscopy. The DSSCs using these ZnO films of nanorods array as photo-electrodes show conversion efficiency ranging from 0.24 to -0.71 \%, the maximum efficiency was obtained for films deposited for time duration 8 h. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Aligned ZnO nanorod growth, Dye sensitized solar cell, Open aqueous solution deposition}, issn = {1567-1739}, doi = {10.1016/j.cap.2010.11.111}, author = {Yengantiwar, Ashish and Sharma, Ramakant and Game, Onkar S. and Banpurkar, Arun G.} } @article { ISI:000298910800008, title = {Growth of hydrothermally stable meso-porous silica structure interconnected around micro-porous zeolite crystals}, journal = {Materials Characterization}, volume = {62}, number = {12}, year = {2011}, month = {DEC}, pages = {1166-1172}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
The growth of hydrothermally stable ordered meso-porous silica with M41S type structure interconnected around zeolite crystals was achieved from seeds normally nucleating the crystallization of micro-porous zeolite. The solid state NMR and FT-IR showed species like Si(OSi)(3)OH and Si(OSi)(2)(OH)(2) (or Q(3) and Q(2) sites, respectively) are formed during first hydrothermal treatment with surfactant and NaOH. These species and surface silanol group of zeolite crystal condense to give meso-porous silica structure interconnected around zeolite crystal during re-crystallization at lower pH. Resulting meso-micro-porous hybrid material is found to be highly active, selective and stable in the synthesis of 2-(phenylamino) ethanol from aniline and ethylene carbonate compare to parent ZSM-5 and pure MCM-41. (C) 2011 Elsevier Inc. All rights reserved.
}, keywords = {Hydrothermal stability, Interconnected meso-porous silica, Meso-micro hybrid material, Synthesis of amino alcohol}, issn = {1044-5803}, doi = {10.1016/j.matchar.2011.09.002}, author = {Kinage, Anil K. and Prashar, Atul K. and Berlier, Gloria and Chaturvedi, Rajiv K.} } @article { ISI:000290127500055, title = {Halogen bonding in 2,5-dichloro-1,4-benzoquinone: insights from experimental and theoretical charge density analysis}, journal = {Crystal Growth \& Design}, volume = {11}, number = {5}, year = {2011}, month = {MAY}, pages = {1855-1862}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Experimental charge density distribution in 2, 5-dichloro-1, 4-benzoquinone has been carried out using high resolution X-ray diffraction data at 90 K to quantitatively evaluate the nature of C-Cl center dot center dot center dot O=C halogen bond in molecular crystals. Additionally, the halogen bond is studied from geometrical point of view and the same has been visualized using Hirshfeld surface analysis. The obtained results from experimental charge density analysis are compared with periodic quantum calculations using B3LYP 6-31G(d,p) level of theory. The topological values at bond critical point, three-dimensional static deformation density features and electrostatic potential isosurfaces unequivocally establish the attractive nature of C-Cl center dot center dot center dot O=C halogen bond in crystalline lattice.
}, issn = {1528-7483}, doi = {10.1021/cg2000415}, author = {Hathwar, Venkatesha R. and Gonnade, Rajesh G. and Munshi, Parthapratim and Bhadbhade, Mohan M. and Row, Tayur N. Guru} } @article { ISI:000288644700053, title = {Headgroup mediated water insertion into the DPPC billayer: a molecular dynamics study}, journal = {Journal of Physical Chemistry B}, volume = {115}, number = {12}, year = {2011}, month = {MAR}, pages = {3155-3163}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Molecular dynamics simulation was performed on the 1,2-dipalmitoyl-sn-phosphocholine (DPPC) bilayer-water system using the GROMOS96 53a6 united atom force field. The transferability of force field was tested by reproducing the area per lipid within 3\% accuracy from the experimental value. The simulation shows that water can penetrate much deeper inside the bilayer almost up to the starting point of the aliphatic chain. There is significant evidence from experiments that water goes deep in the DPPC bilayer, but it has not been reported from theoretical work. The mechanism of insertion of water deep inside the lipid bilayer is still not clear. In this report, for the first time the mechanism of water insertion deep into the bilayer has been proposed. Water transport occurs by the headgroup and its first solvation shell. The trimethyl ammonium (NMe3) group (headgroup of DPPC) has two stable conformations at the bilayer-water interface, one outside the bilayer and another inside it. The NMe3 group has a large clustering of water around it and takes the water molecules inside the bilayer with it during its entry into the bilayer. The water molecules penetrate into the bilayer with the help of the NMe3 group present at the headgroup of DPPC and eventually form hydrogen bonds with carbonyl oxygen present deep inside the bilayer. Structural characteristics at the bilayer-water interface region are also reported.
}, issn = {1520-6106}, doi = {10.1021/jp1090203}, author = {Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000309890700003, title = {Heat and mass transfer analysis in air gap membrane distillation process for desalination}, journal = {Membrane Water Treatment}, volume = {2}, number = {3}, year = {2011}, month = {JUL}, pages = {159-173}, publisher = {TECHNO-PRESS}, address = {PO BOX 33, YUSEONG, DAEJEON 305-600, SOUTH KOREA}, abstract = {
The air gap membrane distillation (AGMD) process was applied for water desalination. The main objective of the present work was to study the heat and mass transfer mechanism of the process. The experiments were performed on a flat sheet module using aqueous NaCl solutions as a feed. The membrane employed was hydrophobic PTFE of pore size 0.22 mu m. A mathematical model is proposed to evaluate the membrane mass transfer coefficient, thermal boundary layers{\textquoteright} heat transfer coefficients, membrane/liquid interface temperatures and the temperature polarization coefficients. The mass transfer model was validated by the experimentally and fitted well with the combined Knudsen and molecular diffusion mechanism. The mass transfer coefficient increased with an increase in feed bulk temperature. The experimental parameters such as, feed temperature, 313 to 333 K, feed velocity, 0.8 to 1.8 m/s (turbulent flow region) were analyzed. The permeation fluxes increased with feed temperature and velocity. The effect of feed bulk temperature on the boundary layers{\textquoteright} heat transfer coefficients was shown and fairly discussed. The temperature polarization coefficient increased with feed velocity and decreased with temperature. The values obtained were 0.56 to 0.82, indicating the effective heat transfer of the system. The fouling was observed during the 90 h experimental run in the application of natural ground water and seawater. The time dependent fouling resistance can be added in the total transport resistance.
}, keywords = {AGMD, Desalination, heat transfer coefficient, mass transfer coefficient, temperature polarization coefficient}, issn = {2005-8624}, author = {Pangarkar, Bhausaheb L. and Sane, Mukund G.} } @article { ISI:000296312200066, title = {Helical water chain mediated proton conductivity in homochiral metal-organic frameworks with unprecedented zeolitic unh-topology}, journal = {Journal of the American Chemical Society}, volume = {133}, number = {44}, year = {2011}, month = {NOV}, pages = {17950-17958}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Four new homochiral metal-organic framework (MOF) isomers, [Zn(l-L-Cl)(Cl)](H2O)(2) (1), [Zn(l-L-Br)(Br)]-(H2O)(2) (2), [Zn(d-L-Cl)(Cl)(H2O)(2) (3), and [Zn(d-L-Br)-(Br)] (H2O)(2) (4) [L = 3-methyl-2-(pyridin-4-ylmethylamino)-butanoic acid], have been synthesized by using a derivative of L-/D-valine and Zn(CH3COO)(2)center dot 2H(2)O. A three-periodic lattice with a parallel ID helical channel was formed along the crystallographic c-axis. Molecular rearrangement results in an unprecedented zeolitic unh-toparigy in 1-4. In each case, two lattice water molecules (one H-bonded. to halogen atoms) form a secondary helical continuous water chain inside the molecular helix. MOFs 1 and 2 shows different water adsorption properties and hence different water affinity. The arrangement of water molecules inside the channel Was monitored by variable temperature single crystal X-ray diffraction, which indicated that MOF 1 has a higher water holding capacity than MOF 2. In MOF 1, water escapes. at 80 degrees C, while in T the same happens at a much lower temperature (similar to 40 degrees C). All the MOFs reported here shows reversible crystallization by readily reabsorbing moisture. In MOFs 1 and 2, the frameworks are stable after solvent removal, which is confirmed by a single-crystal to single crystal transformation. MOFs 1 and 3 show high proton conductivity of 4.45 x 10(-5) and 4.42 x 10(-5) S cm(-1), respectively, while 2 and 4 shows zero proton conductivity. The above result is attributed to the fact that MOF 1 has a higher water holding capacity than MOF 2.
}, issn = {0002-7863}, doi = {10.1021/ja2078637}, author = {Sahoo, Subash Chandra and Kundu, Tanay and Banerjee, Rahul} } @article { ISI:000294374900020, title = {Heteropolyacid supported on montmorillonite catalyst for dehydration of dilute bio-ethanol}, journal = {Applied Clay Science}, volume = {53}, number = {2, SI}, year = {2011}, month = {AUG}, pages = {263-271}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Vapour phase dehydration of dilute bio-ethanol (EtOH) to ethylene (E) and diethyl ether (DEE) is industrially relevant. Ethylene is an important raw material for many petrochemical products and Diethyl ether (DEE) can be used as an alternative fuel. The efficacy of montmorillonite (K-10) and dodecatungestophosphoric acid (DTPA) supported on montmorillonite (DTPA/K-10), has been evaluated in the current work in the dehydration of dilute bio-ethanol (80\%m/m). The dehydration of ethanol and cracking of diethyl ether were studied independently. 30\% m/m DTPA/K-10 was found to be more active with 74\% ethanol conversion and 92\% ethylene selectivity at 250 degrees C in comparison with other acid catalysts used. The merit of the process lies in its use of dilute bio-ethanol, a new avenue for ethylene production from a non-petroleum feedstock. Kinetic interpretation has been made by studying the important process parameters by using 30\%m/m DTPA/montmorillonite as the catalyst. The mechanism of the dehydration of ethanol reaction suggests that two types of sites are responsible. The dehydration of ethanol and cracking of diethyl ether are second order reactions with weak adsorption of species. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Bio-ethanol, dehydration, Diethyl ether, Ethylene, Heteropolyacid}, issn = {0169-1317}, doi = {10.1016/j.clay.2011.03.006}, author = {Bokade, Vijay V. and Yadav, Ganapati D.} } @article { ISI:000299066700002, title = {Hierarchical mesoporous bio-polymer/silica composites co-templated by trimethyl chitosan and a surfactant for controlled drug delivery}, journal = {Medchemcomm}, volume = {2}, number = {12}, year = {2011}, month = {DEC}, pages = {1162-1166}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In this communication, we report the facile synthesis of hierarchical mesoporous bio-polymer/silica composite materials with bimodal mesopores using a dual-template of the cationic N,N,N-trimethyl chitosan (TMCs) and the anionic sodium dodecyl sulfate (SDS) via one-step synthetic strategy. Tetraethoxysilane (TEOS) was used as a silica source. The nitrogen adsorption/desorption measurements and transmission electron microscopy analysis showed the hierarchical structure of the mesoporous bio-polymer/silica composites with bimodal mesopores having an average pore size of 5-7 nm with the visible voids between the silica nanoparticles, which allow the mesoporous bio-polymer/silica composites to encapsulate a large number of guest drug molecules, Ibuprofen (IBU) or 5-fluorouracil (5-FU), due to their high surface area and pore volume. In addition, the mesoporous chitosan-silica composites also had a long term biocompatibility for the target release of the drug molecules to the CEM cells, MCF cells, etc. as well as a pH sensitive controlled release behavior of the drug molecules.
}, issn = {2040-2503}, doi = {10.1039/c0md00222d}, author = {Rana, Vijay Kumar and Park, Sung Soo and Parambadath, Surendran and Kim, Mi Ju and Kim, Sun-Hee and Mishra, Satyendra and Singh, Raj Pal and Ha, Chang-Sik} } @article { ISI:000294225100030, title = {High level phytase production by aspergillus niger NCIM 563 in solid state culture: response surface optimization, up-scaling, and its partial characterization}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {38}, number = {9}, year = {2011}, month = {SEP}, pages = {1407-1417}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
Phytase production by Aspergillus niger NCIM 563 was optimized by using wheat bran in solid state fermentation (SSF). An integrated statistical optimization approach involving the combination of Placket-Burman design (PBD) and Box-Behnken design (BBD) was employed. PBD was used to evaluate the effect of 11 variables related to phytase production, and five statistically significant variables, namely, glucose, dextrin, NaNO(3), distilled water, and MgSO(4)center dot 7H(2)O, were selected for further optimization studies. The levels of five variables for maximum phytase production were determined by a BBD. Phytase production improved from 50 IU/g dry moldy bran (DMB) to 154 IU/g DMB indicating 3.08-fold increase after optimization. A simultaneous reduction in fermentation time from 7 to 4 days shows a high productivity of 38,500 IU/kg/day. Scaling up the process in trays gave reproducible phytase production overcoming industrial constraints of practicability and economics. The culture extract also had 133.2, 41.58, and 310.34 IU/g DMB of xylanase, cellulase, and amylase activities, respectively. The partially purified phytase was optimally active at 55A degrees C and pH 6.0. The enzyme retained ca. 75\% activity over a wide pH range 2.0-9.5. It also released more inorganic phosphorus from soybean meal in a broad pH range from 2.5 to 6.5 under emulated gastric conditions. Molecular weight of phytase on Sephacryl S-200 was approximately 87 kDa. The K (m) and V (max) observed were 0.156 mM and 220 mu m/min/mg. The SSF phytase from A. niger NCIM 563 offers an economical production capability and its wide pH stability shows its suitability for use in poultry feed.
}, keywords = {Aspergillus niger, Phytase, Response surface optimization, Solid state fermentation, Statistical methods}, issn = {1367-5435}, doi = {10.1007/s10295-010-0926-z}, author = {Bhavsar, Kavita P. and Kumar, V. Ravi and Khire, Jayant Malhar} } @article { ISI:000295617000024, title = {High throughput quantitative analysis of melamine and triazines by MALDI-TOF MS}, journal = {Analytical Methods}, volume = {3}, number = {10}, year = {2011}, month = {OCT}, pages = {2360-2366}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Quantitative and high throughput MALDI MS analysis of symmetrical triazines (s-triazines), and milk contaminated with melamine has been demonstrated. s-Triazines from a multi component aqueous test mixture, and melamine, a known adulterant in milk, were quantified at low parts-per-million (ppm) level using 2,5-dihydroxybenzoic acid (2,5-DHB) as a matrix. Mass spectral peak intensity ratios of the analyte and a suitable internal standard were used for the quantitation. Limit of detection at 20 {\textquoteleft}parts-per- billion{\textquoteright} (nano molar concentration) has been achieved for the s-triazines from the aqueous mixture. Quantitation from MALDI MS peak intensities was validated using LC-PDA and LC-ESI-MS analysis using both spectral peak intensities and areas under the chromatographic curves. Excellent linearity in low ppm concentrations along with good precision and accuracy, all of which were comparable to LC-ESI-MS data, were obtained with the advantage of rapid analysis.
}, issn = {1759-9660}, doi = {10.1039/c1ay05262d}, author = {Singh, Ajeet and Panchagnula, Venkateswarlu} } @article { ISI:000297265800023, title = {Highly exposed and activity modulated sandwich type Pt thin layer catalyst with enhanced utilization}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {47}, year = {2011}, month = {OCT}, pages = {19039-19048}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A Pt thin layer catalyst supported on an in situ prepared {\textquoteleft}RuO(2)-carbon-RuO(2){\textquoteright} sandwich type hybrid support is presented. This is achieved by the extensive functionalization of a hollow carbon nanofiber support to introduce oxygen containing functional groups (FCNF) with the specific aim to accomplish the exclusive adsorption of Ru ions along its inner cavity and outer surfaces. Preferential adsorption of Ru ions from a mixture of Pt and Ru with sufficient time for adsorption and reorganization of ions on the carbon nanofiber surface leads to the in situ renovation of FCNFs to form a hybrid {\textquoteleft}RuO(2)-carbon-RuO(2){\textquoteright} sandwich type support followed by Pt nanoparticle decoration. While the selective exposure of Pt on the hybrid support surface is confirmed from the HRTEM analysis, the electronic changes effected in the CNF support are evident from the XPS and XRD analysis. Finally, the potential benefit of such a design is also demonstrated using electrochemical studies, where the three-fold increase in the electrochemically active surface area from cyclic voltammetric analysis, a four-fold improvement in the limiting current density coupled with a 80 mV gain in onset potential from rotating disc electrode studies for the oxygen reduction reaction, and a drastic reduction in the CO poisoning for methanol oxidation reaction underlines the superb performance of this material. Such an exceptionally high performance can be attributed to the strong electronic perturbations occurring in the Pt and the FCNF support due to the presence of a continuous RuO(2) layer in between. Such a high aspect ratio core-shell type design with an unusual enhancement in the Pt utilization establishes the roles of both the hybrid support and active catalyst to address the future challenges in the area of utilization improvement.
}, issn = {0959-9428}, doi = {10.1039/c1jm11588j}, author = {Balan, Beena K. and Kurungot, Sreekumar} } @article { ISI:000288877700023, title = {Highly sensitive and selective LPG sensor based on alpha-Fe2O3 nanorods}, journal = {Sensors and Actuators B-Chemical}, volume = {152}, number = {2}, year = {2011}, month = {MAR}, pages = {299-306}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The alpha-Fe2O3 nanorods were successfully synthesized without any templates by calcining the alpha-FeOOH precursor in air at 300 degrees C for 2 h and their LPG sensing characteristics were investigated. The alpha-FeOOH precursor was prepared through a simple and low cost wet chemical route at low temperature (40 degrees C) using FeSO4 center dot 7H(2)O and CH3COONa as starting materials. The formation of alpha-FeOOH precursor and its topotactic transformation to alpha-Fe2O3 upon calcination was confirmed by X-ray diffraction measurement (XRD). X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM) analysis. The alpha-Fe2O3 nanorods exhibited outstanding gas sensing characteristics such as, higher gas response (similar to 1746-50 ppm LPG at 300 degrees C), extremely rapid response (similar to 3-4 s), relatively slow recovery (similar to 8-9 min), excellent repeatability, good selectivity and lower operating temperature (similar to 300 degrees C). Furthermore, the alpha-Fe2O3 nanorods are able to detect up to 5 ppm for LPG with reasonable response (similar to 15) at the operating temperature of 300 degrees C and they can be reliably used to monitor the concentration of LPG over the range (5-60 ppm). The experimental results clearly demonstrate the potential of using the alpha-Fe2O3 nanorods as sensing material in the fabrication of LPG sensors. Plausible LP G sensing mechanism of the alpha-Fe2O3 nanorods is also discussed. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {alpha-Fe2O3 nanorods, FESEM, LPG sensor, Semiconductor gas sensors, TEM, XPS, XRD}, issn = {0925-4005}, doi = {10.1016/j.snb.2010.12.025}, author = {Patil, Dewyani and Patil, Virendra and Patil, Pradip} } @article { ISI:000293693200004, title = {Hydrogen bond directed honeycomb-like porous network structure of tris (bipyridyl-glycoluril)cobalt(III) chloride}, journal = {Crystengcomm}, volume = {13}, number = {17}, year = {2011}, month = {JUL}, pages = {5289-5291}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The [Co(bpg)3]Cl-3 complex (1), where bpg = 4b, 5, 7, 7a-tetrahydro4b,7a-epiminomethan-oimino-6H-imidazo [4,5-f][1,10]-phenanthroline-6,13-dione has been synthesized and characterized by various spectroscopic techniques and single crystal X-ray diffraction. The combination of bipyridyl-glycoluril (bpg) ligands and cobalt ion self-organise to form a honeycomb-like porous network structure resulting in the formation of zeolite like channels which adsorb gases, is described.
}, issn = {1466-8033}, doi = {10.1039/c1ce05376k}, author = {Kawade, Vitthal A. and Kumbhar, Avinash S. and Erxleben, Andrea and Pachfule, Pradip and Banerjee, Rahul} } @article { ISI:000286856600053, title = {Hydrolysis of vegetable oils and fats to fatty acids over solid acid catalysts}, journal = {Applied Catalysis A-General}, volume = {391}, number = {1-2, SI}, year = {2011}, month = {JAN}, pages = {427-435}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Solid Fe-Zn double-metal cyanide (DMC) complexes exhibit high catalytic activity for hydrolysis of edible and non-edible vegetable oils and animal fat. In a batch reaction, complete conversion of vegetable oil triglycerides to fatty acids with selectivity greater than 73 wt\% was obtained at temperatures as low as 463 K, autogenous pressure and with 5 wt\% of catalyst. Catalytic activity of DMC was superior to Amberlyst (TM) 70, SAPO-11, H-beta, HY, MoO(x)/Al(2)O(3) and sulfated zirconia. Rates of hydrolysis were greatly enhanced when solvents (tetrahydrofuran or N,N-dimethylformamide), phase transfer agents (tetrapropyl ammonium bromide) and products (a mixture of mono-/diglycerides and fatty acids) or fatty acid was added to the feed. Surface hydrophobicity which enables high wettability and activation of glycerides on active, acidic sites of reusable DMC is attributed to be the major cause for its superior catalytic activity. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Double-metal cyanide complex, Fat splitting, Fatty acids, Hydrolysis of vegetable oils and fats, solid acid catalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2010.03.047}, author = {Satyarthi, J. K. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000291559600087, title = {Hyper-production of beta-glucosidase and beta-xylosidase by aspergillus niger NCIM 1207 In Xylan-Containing Media}, journal = {Bioresources}, volume = {6}, number = {2}, year = {2011}, month = {JAN}, pages = {2066-2076}, publisher = {NORTH CAROLINA STATE UNIV DEPT WOOD \& PAPER SCI}, address = {CAMPUS BOX 8005, RALEIGH, NC 27695-8005 USA}, abstract = {
Aspergillus niger NCIM 1207 produced significantly high levels of beta-glucosidase and beta-xylosidase activities in submerged fermentation. Cellulose induced only beta-glucosidase, while xylan induced both beta-glucosidase and beta-xylosidase activities. Both the enzymes of this strain were found to undergo catabolite repression in the presence of high concentrations of glucose and glycerol. The sudden drop in pH of the fermentation medium below 3.5 caused the inactivation of enzymes when the fungus was grown in glycerol-containing media at lower temperatures. The growth of the organism at 36 degrees C led to an increase in pH of the fermentation above 6.0 that affected beta-xylosidase activity significantly. Highest levels of beta-glucosidase ((19 IU mL(-1) or 633 IU g(-1) of substrate) and beta-xylosidase (18.7 IU/mL(-1) or 620 IU g(-1) of substrate) activities were detected when A. niger was grown at 30 degrees C for first five days followed by further incubation at 36 degrees C. Such a process of growing the organism at lower temperatures (growth phase) followed by producing the enzymes at higher temperatures (production phase) in case of fungal systems has not been reported so far. The zymogram staining of the beta-glucosidase demonstrated that A. niger produced only single species of beta-glucosidase. We feel that A. niger NCIM 1207 is a potential candidate to produce both beta-glucosidase and beta-xylosidase in high amounts that can be used to supplement commercial cellulase preparations.
}, keywords = {Aspergillus niger NCIM 1207, beta-glucosidase production, beta-xylosidase production}, issn = {1930-2126}, author = {Khisti, Ujwala and Bastawade, Kulbhushan B. and Gokhale, Digambar V.} } @article { ISI:000291709500006, title = {Identification of sublattice damages in swift heavy ion irradiated N-doped 6H-SiC polytype studied by solid state NMR}, journal = {Journal of Physical Chemistry B}, volume = {115}, number = {24}, year = {2011}, month = {JUN}, pages = {7766-7772}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We have studied N-doped 6H-SiC in its pristine and Swift Heavy Ion (SHI) irradiated (150 MeV Ag12+ ions) forms by solid state Nuclear Magnetic Resonance (NMR) at 7.01 T using C-13 and Si-29 as probe nuclei under magic angle spinning. We show that increased levels of nitrogen doping, than used before, lead to the observation of Knight shifts emanating from an increase in electron density in the conduction band, which in C-13 far exceed those in Si-29 MAS spectra. We have rationalized the differential effects in the MAS spectra and site-dependent paramagnetic shifts in terms of the nitrogen doping at the A, B, and C lattice sites. N-doping has a profound effect on Si-29 spin-lattice relaxation, and the site-dependent relaxation behavior is attributed to a difference in conduction electron properties at the different lattice sites. Si-29 T-1 measurements serve to identify the sublattice damages in SHI irradiated 6H-SiC. By determining the spin-lattice relaxation rates as a function of the SHI irradiation ion fluences, the change in relaxation behavior is correlated to the damage production mechanism. The sublattice damage leads to discernable changes in the interaction between the mobile unpaired electrons in the conduction band and the nuclear site, which profoundly influence the NMR relaxation properties. Our relaxation studies also provide evidence for site-dependent localized effects and a decrease in carrier spin density in the conduction band for the SHI irradiated 6H-SiC.
}, issn = {1520-6106}, doi = {10.1021/jp201367b}, author = {Viswanathan, E. and Kanjilal, D. and Sivaji, K. and Ganapathy, Subramanian} } @article { ISI:000294242600050, title = {Iminium ion cascade reaction in the total synthesis of (+)-vincadifformine}, journal = {Organic Letters}, volume = {13}, number = {17}, year = {2011}, month = {SEP}, pages = {4672-4675}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An iminium ion triggered cascade reaction is described in the total synthesis of (+)-vincadifformine by the coupling of 3,3-substituted tetrahydropyridine and indole derivative. The strategy allows simultaneous construction of two new rings, three new sigma bonds, and two new stereogenic centers in one pot with complete stereochemical control.
}, issn = {1523-7060}, doi = {10.1021/ol201892j}, author = {Pandey, Ganesh and Kumara, Prasanna C.} } @article { ISI:000290841300030, title = {Immobilization of 1,5,7-triazabicyclo [4.4.0] dec-5-ene over mesoporous materials: an efficient catalyst for michael-addition reactions under solvent-free condition}, journal = {Applied Catalysis A-General}, volume = {397}, number = {1-2}, year = {2011}, month = {APR}, pages = {250-258}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Immobilization of 1,5,7-triazabicyclo [4.4.0] dec-5-ene (TBD, a bicylic guanidine base) over mesoporous material like SBA-15 has been found to be an excellent catalyst for Michael-addition of beta-nitro styrene with malonate. The reactions were performed under solvent-free condition at 373 K for 9 h. A wide variety of Michael donors and acceptors were investigated. Among them, high yield of Michael product was obtained for the reaction between p-Cl-nitrostyrene with dimethyl malonate. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {1, 5, 7-triazabicyclo[4.4.0] dec-5-ene, beta-nitro styrene and malonate, mesoporous materials, Michael-addition}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.03.010}, author = {Kalita, Pranjal and Kumar, Rajiv} } @article { ISI:000298662900014, title = {Immobilization of conidiobolus coronatus alkaline protease on waste fungal biomass}, journal = {Environmental Engineering and Management Journal}, volume = {10}, number = {11}, year = {2011}, month = {NOV}, pages = {1727-1732}, publisher = {GH ASACHI TECHNICAL UNIV IASI}, address = {71 MANGERON BLVD, IASI, 700050, ROMANIA}, abstract = {
Alkaline protease from Conidiobolus coronatus which is optimally active at pH 10 and 40 degrees C finds application in leather and detergent industries as well as for recovery of silver from waste photographic films. The protease was immobilized in Ca-alginate, polyacrylamide gel and alkali treated waste fungal biomass (ATWFB). ATWFB was found to be most suitable among the matrices tested. Glutaraldehyde marginally increased the binding to ATWFB. Binding of protease to ATWFB seems to be through adsorption as confirmed by FTIR spectra. Though temperature optima of free and immobilized proteases were identical, optimum pH of the immobilized enzyme shifted to 11 from 10. Temperature stability of the protease increased after immobilization. Immobilized protease could be reused 3 times with marginal loss in activity.
}, keywords = {Alkaline Protease, Conidiobolus coronatus, fungal biomass, Immobilization}, issn = {1582-9596}, author = {Shankar, Shiv and Laxman, Ryali Seeta} } @article { ISI:000290167200026, title = {Improved performance of phosphonated carbon nanotube-polybenzimidazole composite membranes in proton exchange membrane fuel cells}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {20}, year = {2011}, month = {APR}, pages = {7223-7231}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Development of thermally stable polymer electrolyte membranes with higher proton conductivity as well as mechanical stability is a key challenge in commercializing PEM fuel cells operating above 100 degrees C. Polybenzimidazole membranes are one of the promising candidates in this category although with limited mechanical stability and moderate proton conductivity. Here the incorporation of functionalized MWCNT is shown to increase both these key parameters of the polybenzimidazole membranes. Further, formation of a domain like structure after the incorporation of phosphonated MWCNTs (P-MWCNTs) in phosphoric acid doped polybenzimidazole membranes is demonstrated. The enhanced performance has been attributed to the formation of proton conducting networks that formed along the sidewalls of P-MWCNTs with a domain size of 17 nm as estimated from the small angle X-ray scattering measurements. Membrane electrode assembly (MEA) impedance measurements further reveal that the activation energy of oxygen reduction reaction (ORR) reduced for the composite membranes with enhanced proton conductivity. In addition, the mechanical strength measurements reveal a significant improvement in the yield strength and ultimate strength. Also, the mechanical strength of the composite membrane has been increased significantly as indicated by the improvement in the ultimate strength from 65 MPa to 100 MPa for the pristine and composite membranes, respectively. The optimum loading of P-MWCNTs is found to be 1\% as inferred from the polarization measurements carried out using pure hydrogen and oxygen. Thus, this study provides a unique opportunity to tune the properties of polymer electrolytes to prepare application oriented hybrid membranes using CNTs with tailor-made functional groups.
}, issn = {0959-9428}, doi = {10.1039/c0jm04265j}, author = {Kannan, Ramaiyan and Kagalwala, Husain N. and Chaudhari, Harshal D. and Kharul, Ulhas K. and Kurungot, Sreekumar and Pillai, Vijayamohanan K.} } @article { ISI:000298512600004, title = {Improved synthesis and resolution of cis- and trans-2,3-diphenyl morpholines}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {20-22}, year = {2011}, month = {NOV}, pages = {1861-1864}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An improved procedure for the synthesis of cis- and trans-2,3-diphenyl morpholines with good overall yield is described. The stereoisomers were efficiently resolved through the corresponding diastereomeric salts using tartaric acid and (R)-mandelic acid. (C) 2011 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.11.004}, author = {Jagtap, Ravindra S. and Joshi, Navalkishore N.} } @article { ISI:000295149400011, title = {In situ encapsulation of Pt nanoparticles in mesoporous silica: synthesis, characterisation and effect of particle size on CO oxidation}, journal = {Applied Catalysis A-General}, volume = {403}, number = {1-2}, year = {2011}, month = {AUG}, pages = {91-97}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Pt nanoparticles of narrow size distribution and average particle size of 4.4 nm are isolated exclusively inside SBA-12 mesoporous silica by a novel in situ method. The interaction of Pt precursor with surfactant-polymer composite micelle is followed by NMR and UV studies. The final Pt incorporated silica material is characterised by XRD, TEM and N(2) adsorption. The mesoporous nature of the silica is found to be intact after Pt incorporation without any pore blockage. CO oxidation activity of this material is compared with that of mesoporous silica incorporating different sizes of Pt viz., 1.8, 3.6 and 8 nm. Activation energies of CO oxidation for all these materials are calculated by a simple differential method based on first principles. A comparison of activation energies and single site yields reveals that these parameters are distinguishably less in catalyst containing 1.8 nm Pt nanoparticles but more or less same in catalysts containing 3.6, 4.4 and 8 nm Pt nanoparticles. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {CO oxidation, In situ synthesis, Mesoporous silica, Pt nanoparticle}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.06.016}, author = {Prashar, Atul K. and Mayadevi, S. and Rajamohanan, P. R. and Devi, R. Nandini} } @article { ISI:000284557000009, title = {Incorporation of zirconium in medium-pore aluminophosphate molecular sieves with AFO framework}, journal = {Microporous and Mesoporous Materials}, volume = {137}, number = {1-3}, year = {2011}, month = {JAN}, pages = {65-71}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Zirconium substituted medium pore microporous aluminophosphate molecular sieve ZrAPO-41 was prepared by hydrothermal synthesis under autogenous pressure The formation of the pure phase was confirmed by powder X-ray diffraction (XRD) and scanning electron microscopy (SEM)The thermal behaviour of the material was investigated by carrying out thermogravimetric/differential thermal analysis (TGA/DTA) The zirconium environment was studied by magic-angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy which suggests incorporation of zirconium into the framework UV-Visible diffuse reflectance study also supports the claim The temperature programmed desorption (TPD) of ammonia reveals that the acidity of ZrAPO 41 samples is higher than that of pure AlPO4-41 The catalytic activity of the samples was investigated through phenol hydroxylation reaction The result show hi E her catalytic activity for ZrAPO-41 samples compared to AlPO4-41 (C) 2010 Elsevier Inc All rights reserved
}, keywords = {AFO, Aluminophosphate, catalysis, Molecular sieve, ZrAPO 41}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2010.08.022}, author = {Chakrabortty, Dhruba and Ganguli, J. N. and Satyanarayana, C. V. V.} } @article { ISI:000290099900004, title = {Increase in efficiency of media utilization for recombinant protein production in Chinese hamster ovary culture through dilution}, journal = {Biotechnology and Applied Biochemistry}, volume = {58}, number = {1}, year = {2011}, month = {JAN}, pages = {25-31}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Animal cells are extensively used for the large-scale production of recombinant proteins. Processes and genetically engineered cell lines have been developed to enhance longevity of the culture and increase protein productivity. In this study, we tested the effect of diluting a culture of Chinese hamster ovary (CHO) cells with phosphate-buffered saline (PBS) on cell growth and efficiency of media utilization. An immunoglobulin G-expressing CHO cell line was cultured in CD CHO media followed by dilution of the culture with PBS after the end of the exponential phase. A 28\% and 61\% increase in protein yield per milliliter of media was observed in the diluted culture in the batch and fed-batch mode with glucose and protein hydrolysate feeding, respectively. To aid in analyzing the potential causes of this observed increase, an unstructured mathematical model was constructed using previously reported kinetics to simulate cell growth, nutrient utilization, and protein production. The model predicts an increase in recombinant protein yield per milliliter of media in PBS diluted cultures under both batch and fed-batch conditions, and suggests that this observed increase could at least partly be due to a decrease in inhibitor concentration in the diluted culture.
}, keywords = {chemically defined media, culture dilution, glucose consumption, inhibitor formation, recombinant protein yield}, issn = {0885-4513}, doi = {10.1002/bab.9}, author = {Thombre, Shreya and Gadgil, Mugdha} } @article { ISI:000296009600009, title = {Influence of abiotic elicitation on production of dipyranocoumarins in suspension cultures of calophyllum inophyllum L.}, journal = {Acta Physiologiae Plantarum}, volume = {33}, number = {6}, year = {2011}, month = {NOV}, pages = {2149-2158}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
Effects of elicitation with heavy metals such as copper, cadmium, chromium (abiotic elicitation) and supplementation of CaCl(2) on production of dipyranocoumarins (inophyllums) in suspension cultures of leaf and stem callus of Calophyllum inophyllum were studied. The optimum timing for elicitor introduction was found to be the 10th day after initiating the suspension cultures. Cadmium as abiotic elicitor in suspension cultures of stem callus was found best to elicit maximum production of inophyllums A, C, and calophyllolide while cadmium in suspension cultures of leaf callus was found best for eliciting maximum production of inophyllums B and P. Inophyllum D was the only dipyranocoumarin whose highest production was achieved when 1.0 mM chromium was used as abiotic elicitor in suspension cultures of stem callus. Out of the three abiotic elicitors used, none could result biomass growth. Only incorporation of CaCl(2) in suspension cultures resulted biomass growth. A maximum of 35.26-fold biomass growth was achieved when suspension cultures of stem callus were incorporated with 2.0 mM CaCl(2). CaCl(2) was noted to have no positive influence on production of most of the dipyranocoumarins under study.
}, keywords = {Abiotic elicitation, Calophyllum inophyllum, dipyranocoumarins, Heavy metals, Suspension culture}, issn = {0137-5881}, doi = {10.1007/s11738-011-0754-4}, author = {Pawar, Kiran D. and Thengane, Shubhada Ratnakar} } @article { ISI:000293492300024, title = {Influence of Al3+ insertion in the stannosilicate MFI framework on the catalytic performance in vapor phase aniline N-methylation}, journal = {Applied Catalysis A-General}, volume = {401}, number = {1-2}, year = {2011}, month = {JUL}, pages = {182-188}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Silica-based Sn-MFI, Al-MFI and Al-Sn-MFI molecular sieves were synthesized by hydrothermal crystallization of gels having molar compositions SiO2:xSnO(2):yAl(2)O(3):0.23 (TPA)(2)O:35H(2)O, where x ranges from 1/0 to 1/200 and y from 1/0 to 1/400. Keeping molar Si/(Al + Sn) = 50, the amount of tin and aluminum in hydrogel was varied (Sn:Al molar ratios = 1:0, 1:0.33, 1:1, 1:3, 0:1) to investigate the synergy between Lewis and Bronsted acid sites in acid catalyzed aniline N-methylation reaction. Catalyst characterization was done by Powder X-ray diffraction, DRUV-vis spectroscopy, temperature programmed ammonia desorption (TPAD) and FTIR spectroscopy. An increase in the Al3+ insertion in Sn-MFI framework resulted in the increase in the stronger acid sites. Al-Sn-MFI showed higher aniline conversion than their monometallic counterparts. A sample having B/L ratio in between 0.67 and 0.91 was found to be optimum for maximizing the NMA yield, indicating the existence synergistic properties of Al-Sn-MFI. Upon process parameter optimization, the optimum sample M50 [Si/Al = 50.2, Si/Sn = 93.8, Si/(Al + Sn) = 43.2] showed the maximum aniline conversion (67\%) and NMA selectivity (81\%) at reaction temperature = 220 degrees C, weight hourly space velocity (WHSV) = 3 h(-1), molar ratio (aniline to methanol) = 1:8 and TOS = 4 h. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Al-Sn-MFI, Aniline, Bronsted and Lewis acid, Methanol, N-methylaniline}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.05.019}, author = {Niphadkar, P. S. and Joshi, P. N. and Deshpande, Suvarna S. and Bokade, Vijay V.} } @article { ISI:000292059600022, title = {Influence of carbon-based nanofillers on the melt flow singularity of linear polyethylene}, journal = {Polymer}, volume = {52}, number = {14}, year = {2011}, month = {JUN}, pages = {3163-3174}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A quantitative power law relationship between molecular weight and flow criticalities is uncovered that links stick-slip theory with the melt flow singularity observed during capillary flow. The singularity arises from decrease in pressure during melt flow of linear polyethylene through capillary die in a narrow temperature window. The molecular origin of the window effect is attributed to slip flow arising from disengagement of chains adsorbed to melt-wall interface from free chains in melt. Considering the similar molecular configuration of the linear polyethylene and carbon nanotubes (CNTs), the stretched chain conformation of the adsorbed chains in the presence of CNTs is influenced. The potential to broaden the window temperature interval in the presence of CNTs is explored. For the study, multi-walled carbon nanotubes (MWCNTs) are added in the linear polyethylene. The influence of the filler aspect ratio on the window effect is further investigated in the presence of carbon black (CBs). The presence of MWCNTs broadens the window temperature interval and increases the decrease in pressure. Contrary to MWCNTs in the presence of CBs the extrusion window narrows and reduction in the pressure-decrease occurs. It is also found that the two carbon nanofillers have a significant impact on flow-induced solidification. Both, the crystallisation rate and the onset temperature of crystallisation, increase with the loading of the two nanofillers. A closer comparison between the two carbon nanofillers at the same loading suggests that the crystallisation is more influenced in MWCNT-PE composites. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Capillary flow, Carbon fillers, Polyethylene}, issn = {0032-3861}, doi = {10.1016/j.polymer.2011.04.046}, author = {Xu, Han and Lele, Ashish K. and Rastogi, Sanjay} } @article { ISI:000295403700010, title = {Influence of DMDBS on the morphology and mechanical properties of polypropylene cast films}, journal = {Polymer Engineering and Science}, volume = {51}, number = {10, SI}, year = {2011}, month = {OCT}, pages = {2013-2023}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
We investigate extrusion film casting (EFC) of polypropylene (PP) and examine the effects of varying the concentration of nucleating agent, dimethyl dibenzylidene sorbitol (DMDBS); melt temperature at the die exit; and the draw ratio. Addition of DMDBS increases the PP crystallization temperature, and consequently the PP lamellar repeat spacing. For the draw ratios explored, we do not observe any substantial orientation of iPP crystals for films of neat iPP. However, addition of DMDBS results in the formation of oriented PP crystals, with greater orientation for higher draw ratios. On cooling from the melt, a network of DMDBS nanofibers forms in the PP. We believe that flow-alignment of this DMDBS network templates the orientation of PP crystals. We observe that the tensile modulus and yield stress increase with PP crystal orientation. However, at high DMDBS concentrations (0.8\%), films have poor mechanical strength due to formation of voids and defects. POLYM. ENG. SCI., 51:2013-2023, 2011. (C) 2011 Society of Plastics Engineers
}, issn = {0032-3888}, doi = {10.1002/pen.21957}, author = {Sreenivas, K. and Pol, Harshawardhan V. and Kumaraswamy, Guruswamy} } @article { ISI:000292989000018, title = {Influence of endophytic fungal elicitation on production of inophyllum in suspension cultures of Calophyllum inophyllum L.}, journal = {Plant Cell Tissue and Organ Culture}, volume = {106}, number = {2}, year = {2011}, month = {AUG}, pages = {345-352}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The influence of dried cell powder and culture filtrates of endophytic fungi on production of inophyllum in cell suspension cultures of leaf- and stem-derived callus of Calophyllum inophyllum was investigated. Two fungi, Nigrospora sphaerica and Phoma spp., endophytic to C. inophyllum, were isolated from leaf tissues, and were identified by both 18S rRNA gene amplification and sequencing. Elicitation of suspension cultures of both callus types of C. inophyllum with dried cell powder and culture filtrates of both fungi consistently elicited production of inophyllum A, B, C, and P. In comparison to stem-derived callus, suspension cultures of leaf-derived callus enhanced production of most inophyllum. Of the four inophyllum studied, the highest production of inophyllum A, C, and P was achieved in elicited suspension cultures of leaf-derived callus. Suspension cultures of stem-derived callus enhanced production only of inophyllum B. When suspension cultures of leaf-derived callus were elicited with 40 mg dried cell powder of Phoma spp., a level of 751-fold (6.84 mg/100 g elicited biomass) of inophyllum A was produced, compared to control. Whereas, a level of 414-fold (6.22 mg/100 g elicited biomass) of inophyllum B was produced when suspension cultures of stem-derived callus were elicited with 20 mg dried cell powder of N. sphaerica. When compared to control, a 10\% culture filtrate of N. sphaerica in suspension cultures of leaf-derived callus elicited inophyllum C and P production by 928-fold (7.43 mg/100 g elicited biomass) and 750-fold (1.5 mg/100 g elicited biomass), respectively.
}, keywords = {Biotic elicitation, Calophyllum inophyllum, Endophytic fungi, Inophyllum, Suspension cultures}, issn = {0167-6857}, doi = {10.1007/s11240-011-9928-4}, author = {Pawar, Kiran D. and Yadav, Amit V. and Shouche, Yogesh S. and Thengane, Shubhada Ratnakar} } @article { ISI:000287685100009, title = {Influence of Mg2+ substitution on the magnetic and electrical properties of Li-Zn ferrite thick films synthesized with PVA matrix}, journal = {Microelectronics International}, volume = {28}, number = {1}, year = {2011}, month = {JAN}, pages = {58-65}, publisher = {EMERALD GROUP PUBLISHING LIMITED}, address = {HOWARD HOUSE, WAGON LANE, BINGLEY BD16 1WA, W YORKSHIRE, ENGLAND}, abstract = {
Purpose - The purpose of this paper is to investigate the effect of Mg2+ substitution on the magnetic and electrical properties of Li0.35-x Mg-2x Zn-0.3 Fe2.35-xO4 thick films synthesized with polyvinyl alcohol (PVA) matrix. Design/methodology/approach - The nanoferrites Li0.35-x Mg-2x Zn-0.3 Fe2.35-xO4 (x = 0, 0.07, 0.14, 0.21, 0.28 and 0.35) were synthesized by chemical technique using aqueous solution of PVA (the matrix) and thick films were fabricated by screen printing technique. The DC magnetic hysteresis measurements, AC magnetic susceptibility and DC electrical resistivity were measured as a function of temperature. Findings - The lattice parameter of thick film Li0.35-x Mg-2x Zn-0.3 Fe2.35-xO4 (x = 0, 0.07, 0.14, 0.21, 0.28 and 0.35) increases with the substitution of Mg2+ ions for Li1+ and Fe3+. The surface morphology of the thick films showed the grain size increasing with Mg2+ substitution till x = 0.21 and then decreasing for the higher concentrations of magnesium. The magnetic moment n(B) (mu(B)) computed from the M-s obtained by extrapolation of the magnetization curve showed a gradual decrease with the composition till x = 0.21, beyond which a sudden decrease was observed. The resistivity of the films at room temperature had variation with composition x, similar to that of magnetic moment. The activation energies Delta E-F and Delta E-P were found to vary with composition x of the ferrite system. Originality/value - The paper reports, for the first time, the magnetic and electrical properties of fritless Li0.35-xMg2xZn0.3Fe2.35-xO4 thick films using PVA polymer matrix. Up to x = 0.21 (Mg2+), grain size increases and Curie temperature decreases beyond which reverse effect takes place.
}, keywords = {Alternating current, Direct current, Electrical properties, Films (states of matter), Magnetic moments}, issn = {1356-5362}, doi = {10.1108/13565361111097128}, author = {Rendale, M. K. and Kulkarni, S. D. and Kulkarni, D. C. and Puri, Vijaya} } @article { ISI:000297940300004, title = {Influence of reactive compatibilization on the structure and properties of PP/LDH nanocomposites}, journal = {Polymer International}, volume = {60}, number = {12}, year = {2011}, month = {DEC}, pages = {1688-1696}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Polypropylene (PP)/layered double hydroxide (LDH) nanocomposites were prepared by the direct melt intercalation method usingmaleic anhydride grafted polypropylene (PP-g-MAH) as a reactive compatibilizer. The compatibilization effects provided by PP-g-MAH in different weight fractions and their influence on the structure and properties of the final nanocomposites were investigated. The interactions and structural morphology of the nanocomposites were examined by Fourier transform infrared spectroscopy, X-ray diffraction and transmission electronmicroscopy. Thermal, mechanical and rheological properties of these nanocomposites were investigated as a function of compatibilizer concentration. The detailed morphological and X-ray diffraction results revealed that the degree of LDH dispersion increases as the amount of PP-g-MAH increases. Study of the linear viscoelastic properties showed that the storage modulus G{\textquoteright} is very sensitive to the microstructure of the nanocomposite. The thermal properties of the nanocomposites were significantly influenced by the weight fraction of PP-g-MAH due to the shielding and nucleating effect of exfoliated layers. Both the tensile strength and modulus showed substantial improvements with increasing PP-g-MAH content, while the elongation at break substantially decreased, although the presence of PP-gMAH somewhat improves these values. The overall results showed that 10 wt\% of compatibilizer is optimum to achieve nanocomposites with better performance. (C) 2011 Society of Chemical Industry
}, keywords = {compatibilization, layered double hydroxides, Nanocomposites, polypropylene, Rheology, thermomechanical properties}, issn = {0959-8103}, doi = {10.1002/pi.3129}, author = {Lonkar, Sunil P. and Therias, Sandrine and Leroux, Fabrice and Gardette, Jean Luc and Singh, Raj Pal} } @article {42540, title = {Interfacial electron transfer dynamics of two newly synthesized catecholate bound ruII polypyridyl-based sensitizers on TiO2 nanoparticle surface - a femtosecond pump probe spectroscopic study}, journal = {Europian Journal of Inorganic Chemistry}, year = {2011}, month = {SEP}, pages = {4187{\textendash}4197}, abstract = {
Two new catecholate-bound RuII{\textendash}polypyridine based sensitizers, (2,2'-bipyridine){ethyl 3-(4-hydroxyphenyl)-2-[(4'-methyl-2,2'-bipyridinyl-4-carbonyl)amino]propionate}{4-[2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl]benzene-1,2-diol)}ruthenium(II) hexafluorophosphate (5) and [(2,2'-bipyridine)-(4-2,2'-bipyridinyl-4-yl-phenol)-(4-{2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl}benzene-1,2-diol)]ruthenium(II) hexafluorophosphate (6) with secondary electron-donating groups (tyrosine and phenol, respectively) were synthesized and characterized. Steady-state optical absorption and emission studies confirm strong coupling between the sensitizers and TiO2 nanoparticles. Femtosecond visible transient absorption spectroscopy has been employed to study interfacial electron transfer (IET) dynamics in the dye{\textendash}nanoparticle systems to explore the influence of the secondary electron-donating groups on IET dynamics. Electron injection into the conduction band of nanoparticulate TiO2 has been confirmed by detection of the conduction band electrons in TiO2 ([e{\textendash}]TiO2CB) and radical cation of the adsorbed dye (D{\textperiodcentered}+) in real time monitored by transient absorption spectroscopy. A single exponential and pulse-width limited (\< 100 fs) electron injection has been observed. Back electron transfer (BET) dynamics have been studied by monitoring the decay kinetics of the injected electron in the conduction band of TiO2 and by the recovery of the ground state bleach. BET dynamics in dye{\textendash}TiO2 systems for complexes 5 and 6 have been compared with those of [bis(2,2'-bpy)-(4-{2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl}benzene-1,2-diol)]ruthenium(II) hexafluorophosphate (7), which does not have a secondary electron-donating group.
}, doi = {10.1002/ejic.201100411}, author = {Banerjee, Tanmay and Rawalekar, Sachin and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000289364600022, title = {Intermolecular benzoyl group transfer reactivity in crystals of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate: controlling reactivity by solvate (pseudopolymorph) formation}, journal = {Crystengcomm}, volume = {13}, number = {9}, year = {2011}, month = {MAY}, pages = {3258-3264}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate (rac-3), which usually crystallizes in a monoclinic lattice (Form I, P2(1)/c) from common organic solvents, when crystallized from 2-propanol yielded concomitantly, thin whisker like crystals (Form II, triclinic, P (1) over bar) with inclusion of 2-propanol and water molecules, along with the Form I crystals. Thin fibre-like crystals were also obtained on crystallization from toluene, with inclusion of toluene and water in the crystal lattice (Form III). The Form II and Form III crystals could be converted into the Form I crystals thermally via melt crystallization. Form I crystals exhibit a facile transesterification reaction, but the solvated crystals are unreactive under the same conditions until their transformation to the reactive form. The reactivity patterns of the Form I and Form II crystals correlate well with the molecular organization in them. Since reactivity of the crystals of rac-3 depends on the solvent and the method of crystallization, and the thermal transition of one crystal form to the other, these phase changes can be used as a switch to control the benzoyl transfer reactivity of the constituent molecules in crystals.
}, issn = {1466-8033}, doi = {10.1039/c1ce05054k}, author = {Krishnaswamy, Shobhana and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article { ISI:000294158700021, title = {Intramolecular chemoselective acylation of a suitably substituted isoindole: synthesis of (+/-)-chilenine and (+/-)-deoxychilenine}, journal = {Synthesis-Stuttgart}, number = {17}, year = {2011}, month = {SEP}, pages = {2838-2842}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Starting from 3,4-dimethoxyhomophthalic anhydride and 6-bromohomopiperonylamine, concise and efficient syntheses of Chilean berberis products chilenine and deoxychilenine have been demonstrated via partially divergent routes by taking advantage of facile air-oxidation of homophthalimide along with intramolecular chemoselective acylation as the key steps.
}, keywords = {chemoselective acylation, chilenine, deoxychilenine, homophthalic anhydride, isoindole, Total synthesis}, issn = {0039-7881}, doi = {10.1055/s-0030-1260140}, author = {Wakchaure, Prasad B. and N. P. Argade} } @article { ISI:000298639800119, title = {Investigation of poly(o-anisidine)-SnO2 nanocomposites for fabrication of low temperature operative liquefied petroleum gas sensor}, journal = {Journal of Applied Physics}, volume = {110}, number = {12}, year = {2011}, month = {DEC}, pages = {124501}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Poly(o-anisidine)-tin oxide (POA-SnO2) nanocomposites has been investigated for the fabrication of low temperature operative (100 degrees C) liquefied petroleum gas (LPG) sensor. The POA-SnO2 nanocomposites have been synthesized through an in situ chemical polymerization of o-anisidine in presence of SnO2 nanoparticles. The POA-SnO2 nanocomposite shows better LPG sensing properties than that of pure POA. The nanocomposite with 50 wt. \% SnO2 exhibits an excellent LPG sensing characteristics at the operating temperature of 100 degrees C such as higher relative gas response (similar to 23.47\% to 3.4\% of LPG), extremely rapid response (similar to 6 s), fast recovery (similar to 33 s), good reproducibility, and remarkable selectivity. The application of POA-SnO2 nanocomposites for fabrication of the LPG sensor was demonstrated. (C) 2011 American Institute of Physics. [doi:10.1063/1.3667107]
}, issn = {0021-8979}, doi = {10.1063/1.3667107}, author = {Patil, Dewyani and Kolhe, Kishor and Potdar, Hari S. and Patil, Pradip} } @article { ISI:000300460900038, title = {Investigation of wustite (Fe1-xO) by femtosecond laser assisted atom probe tomography}, journal = {Ultramicroscopy}, volume = {111}, number = {6}, year = {2011}, month = {MAY}, pages = {584-588}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In this paper, we report results obtained from laser assisted three-dimensional (3-D) atom probe tomography (APT) on wustite (Fe1-xO). Oxides are generally insulating and hence hard to analyse in conventional electrical assisted APT. To overcome this problem, femtosecond laser pulses are used instead of voltage pulses. Here we discuss some aspects of pulsed laser field evaporation and optimization of parameters to achieve better chemical accuracy. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Atom probe tomography, Laser assisted field evaporation, Wustite}, issn = {0304-3991}, doi = {10.1016/j.ultramic.2010.11.023}, author = {Bachhav, Mukesh N. and Danoix, R. and Danoix, F. and Hannoyer, Beatrice and Ogale, Satishchandra B. and Vurpillot, F.} } @article { ISI:000285674000014, title = {Investigations of magnetic and dielectric properties of cupric oxide nanoparticles}, journal = {Solid State Communications}, volume = {151}, number = {1}, year = {2011}, month = {JAN}, pages = {55-60}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Cupric oxide nanoparticles of similar to 8-10 nm width and 40-45 nm length self assembled as large particles similar to 1-1 5 mu m have been investigated in the 10-325 K temperature range using magnetic and dielectric measurements In magnetic measurements a single broad peak at similar to 230 K in a zero field cooled sample has been observed Coercivity in magnetization measurements at 10 K suggests that the nanoparticles are core-shell type particles with an antiferromagnetic core and a ferromagnetic shell Dielectric measurements at various frequencies from 3 7 Hz to 949 kHz exhibit a sharp peak at 284 K followed by weak anomalies around 213 and 230 K (C) 2010 Elsevier Ltd All rights reserved
}, keywords = {CuO nanoparticles, Dielectric, Ferroelectric transition, Ferromagnetic}, issn = {0038-1098}, doi = {10.1016/j.ssc.2010.10.024}, author = {Bhalerao-Panajkar, Rohini S. and Shirolkar, Mandar M. and Das, Raja and Maity, Tuhin and Poddar, Pankaj and Kulkarni, S. K.} } @article { ISI:000293196800041, title = {Isobutrin from butea monosperma (flame of the forest): a promising new natural sensitizer belonging to chalcone class}, journal = {ACS Applied Materials \& Interfaces}, volume = {3}, number = {7}, year = {2011}, month = {JUL}, pages = {2440-2444}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this work, {\textquoteleft}{\textquoteleft}isobutrin{\textquoteright}{\textquoteright}, an ecofriendly sensitizer that is extracted from Butea monosperma (commonly known as {\textquoteleft}{\textquoteleft}Flame of the Forest{\textquoteright}{\textquoteright}) flowers, is introduced. It is a bright yellow pigment belonging to the chalcone class and is examined as a sensitizer for optoelectronic applications. It is observed that chelation of this dye with Ti ions results into a strong dye-TiO(2) charge transfer (DTCT) band in the visible region. This Ti-Isobutrin chelate is stable, irreversible and its formation is studied using Benesi-Hildebrand plot. The locations of HOMO-LUMO states of the Ti-isobutrin chelate and the corresponding band alignment with TiO(2) are obtained. Also, a thermal stability test revealed that isobutrin is stable above 100 degrees C.
}, keywords = {Butea monosperma, chalcone, dye-sensitized solar cell, isobutrin, sensitizer, TiO(2)}, issn = {1944-8244}, doi = {10.1021/am200341y}, author = {Agarkar, Shruti A. and Kulkarni, Roshan R. and Dhas, Vivek V. and Chinchansure, Ashish A. and Hazra, Partha and Joshi, Swati P. and Ogale, Satishchandra B.} } @article { ISI:000291804900001, title = {Isolation, identification and optimization of a new extracellular lipase producing strain of rhizopus sp.}, journal = {Applied Biochemistry and Biotechnology}, volume = {164}, number = {7}, year = {2011}, month = {AUG}, pages = {969-978}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
A lipolytic mesophilic fungus which produces lipase extracellularly was isolated from soil. Based on ITS1-5.8S-ITS4 region sequences of ribosomal RNA, it was concluded that the isolate JK-1 belongs to genus Rhizopus and clades with Rhizopus oryzae. The present paper reports the screening, isolation, identification, and optimization of fermentation conditions for the production of lipase (EC 3.1.1.3). Culture conditions were optimized, and the highest lipase production was observed in basal medium with corn steep liquor as nitrogen source and glucose as carbon source. Maximum lipase production was observed at 72 h, which is about 870 U/ml. Optimization of fermentation conditions resulted in 16-fold enhancement in enzyme production.
}, keywords = {Corn steep liquor, Fermentation, ITS region, Lipase, Medium optimization, Rhizopus}, issn = {0273-2289}, doi = {10.1007/s12010-011-9188-0}, author = {Kantak, Jayshree B. and Bagade, Aditi V. and Mahajan, Siddharth A. and Pawar, Shrikant P. and Shouche, Yogesh S. and Prabhune, Asmita} } @article { ISI:000296937200031, title = {Jack bean alpha-mannosidase (Jb alpha-man): tolerance to alkali, chelating and reducing agents and energetics of catalysis and inhibition}, journal = {International Journal of Biological Macromolecules}, volume = {49}, number = {5}, year = {2011}, month = {DEC}, pages = {1066-1071}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Investigations of the catalytic and structural transitions of jack bean alpha-mannosidase (Jb alpha-man) are described in the present paper. The enzyme was maximally stable at pH 5.0; however, when incubated in the pH range of 11.0-12.0, showed 1.3 times higher activity and also stability for longer time. The free amino group at or near the active site was probably involved in the stability and activation mechanism. The active site is constituted by the association of two unidentical subunits connected by disulfide linkages. The metalloenzyme has Zn(2+) ions tightly bound and chelation reduces the thermal stability of the protein. Energetics of catalysis and thermodynamics of inhibition of the enzyme were also carried out. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Alkali tolerance, alpha-Mannosidase, beta-Mercaptoethanol, Energetics, Inhibition, Metalloenzyme}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2011.08.033}, author = {Kumar, Avinash and Gaikwad, Sushama M.} } @article { ISI:000288015800010, title = {Kinetics of hydroformylation of 1-octene in ionic liquid-organic biphasic media using rhodium sulfoxantphos catalyst}, journal = {Chemical Engineering Science}, volume = {66}, number = {8}, year = {2011}, month = {APR}, pages = {1631-1639}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Biphasic hydroformylation of 1-octene was performed using rhodium sulfoxantphos catalyst dissolved in [BuPy][BF(4)] ionic liquid. Preliminary experiments proved this system to retain the catalytic complex within the ionic liquid phase and to maintain a high selectivity towards the linear aldehyde (n:iso ratio of 30) over several cycles. Process parameter investigation showed a first order dependence of the initial rate with respect to the catalyst and 1-octene concentrations, but a more complex behavior with respect to hydrogen (fractional order) and carbon monoxide partial pressures (inhibition at high pressures). Different mathematical models were selected based on the trends observed and evaluated for data fitting. Also, rate models were derived from a proposed mechanism, using Christiansen matrix approach. To calculate concentrations of substrates in the catalytic phase as required by this kinetic modeling, solubility measurements were preformed for the gases (pressure drop technique), as well as for 1-octene and n-nonanal (thermogravimetry analysis). (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Biphasic catalysis, Butylpyridinium tetrafluoroborate, kinetics, Parameter identification, Reaction engineering, solubility}, issn = {0009-2509}, doi = {10.1016/j.ces.2010.12.040}, author = {Deshpande, R. M. and Kelkar, Ashutosh A. and Sharma, A. and Julcour-Lebigue, C. and Delmas, Henri} } @article { ISI:000293419700048, title = {Kinetics of nitric oxide adsorption on Pd(111) surfaces through molecular beam experiments: a quantitative study}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {31}, year = {2011}, month = {AUG}, pages = {15487-15495}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A detailed kinetic picture derived by molecular beam studies of the adsorption-desorption of the NO/Pd(111) system is presented. Numerical simulations and detailed kinetic analysis show that the precursor state model of adsorption provides a valid picture of the sticking coefficient variation with surface coverage, especially at low temperatures. At higher temperatures, the precursor model gives way to the Langmuir molecular model of adsorption. All the parameters of the precursor state model have been quantified. Temperature programmed desorption (TPD) studies further show that there is a slight repulsive interaction between adsorbed NO molecules and there is only a negligible fraction of dissociated molecules on the surface for temperatures less than 500 K, as the Pd(111) surface is defect free. A Bragg-Williams (BW) lattice gas model with repulsive interactions, within the framework of mean field approach (MFA), is shown to describe the TPD spectra reasonably well.
}, issn = {1932-7447}, doi = {10.1021/jp203992r}, author = {Nagarajan, Sankaranarayanan and Thirunavukkarasu, Kandasamy and Gopinath, Chinnakonda S. and Prasad, Sudarsan D.} } @article { ISI:000294237100001, title = {Lanthanum and zinc incorporated hydrotalcites as solid base catalysts for biodiesel and biolubricants production}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {50}, number = {8}, year = {2011}, month = {AUG}, pages = {1017-1025}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
Mg-Al hydrotalcites doped with varying amounts of lanthanum and zinc ions (10 30 mol \%) have been prepared by co-precipitation method and used, after calcination at 873 K, as solid base catalysts for transesterification of soybean oil with methanol (producing biodiesel) and n-octanol (producing biolubricants). The catalyst with 20 mol \% of lanthanum shows the highest transesterification activity (soybean oil conversion = 100 \% and biodiesel yield = 95 \%) at 423 K in 4 h. Catalytic activity varies in proportion with the basicity of the catalysts.
}, keywords = {Biodiesel, Biolubricants, catalysis, Doped hydrotalcites, Hydrotalcites, Lanthanum, Solid base catalysts, transesterification, Vegetable oils, zinc}, issn = {0376-4710}, author = {Rahul, R. and Satyarthi, Jitendra K. and Srinivas, D.} } @article { ISI:000292962900073, title = {Ligand dynamics controlled reverse spin cross over in bis pyrazolyl pyridine based Fe(II) complex cation with metallodithiolato anions with an example of a ferromagnetic 2:1 cocrystal of mixed Ni(III)/Ni(II) oxidation states}, journal = {Inorganica Chimica Acta}, volume = {374}, number = {1, SI}, year = {2011}, month = {AUG}, pages = {586-600}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
We report here the crystal and molecular structures of three compounds [FeL(2)] [Ni(mnt)(2)] (1), [FeL(2)](2) [Ni(mnt)(2)](3)center dot 2H(2)O (2) and [FeL(2)] [Cu(mnt)(2)]center dot 2CH(3)CN (3) where L = 2,6-bis(3,5-dimethylpyrazol-1-ylmethyl) pyridine and mnt = maleonitriledithiolate, and their detailed spectroscopic and magnetic properties using variable temperature Mssbauer, EPR, susceptibility studies, along with room temperature electron spectroscopy for chemical analysis (ESCA) studies. The observed temperature dependant high spin/low spin (HS/LS) ratios of [FeL(2)](2+) cations in these lattices, exhibiting {\textquoteleft}reverse spin cross-over{\textquoteright} measured unequivocally by Mssbauer, have been interpreted as resulting from differing amount of {\textquoteleft}void space{\textquoteright} in the lattice, a measure of the ease of lattice dynamics originating from ligand L. Differential scanning calorimetric data points this HS/LS transition to order-disorder type of second order phase transitions. While trying to test this lattice dynamics controlled property of [FeL(2)](2+) cations an unusual behavior of cocrystallization of two planar complex anions of the same type in two different oxidation states, viz. [Ni(mnt)(2)](2) and [Ni(mnt)(2)] , was observed in [FeL(2)](2+) [Ni(mnt(2))](3), supported by crystallography, ESCA chemical shifts of Ni 2p(3/2) and EPR. The susceptibility data in combination with ESCA chemical shifts of S 2p(3/2) and Ni 2p(3/2) on all the compounds reveal the importance of charge transfer between the two counter ions. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Iron complexes, Magnetism, Reverse-spin crossover, X-ray crystal structures}, issn = {0020-1693}, doi = {10.1016/j.ica.2011.02.081}, author = {Manoharan, Periakaruppan T. and Sambandam, Balaji and Amsarani, Ramamoorthy and Varghese, Babu and Gopinath, Chinnakonda S. and Nomura, Kiyoshi} } @article { ISI:000294374900007, title = {Liquid phase oxidation of p-vanillyl alcohol over synthetic Co-saponite catalyst}, journal = {Applied Clay Science}, volume = {53}, number = {2, SI}, year = {2011}, month = {AUG}, pages = {157-163}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Effect of cobalt loading on porosity of synthetic Co-saponite catalysts and on the air oxidation of p-vanillyl alcohol was studied by varying Co content in the range of 5\% to 30\% using in situ precipitation method. The pore size increased from 1.29 to 3.69 nm indicating a transition from micro to meso porosity, with increase in Co loading from 5\% to 30\%. The distribution ratio of Co(3)O(4)/CoO phases as estimated from TPR studies, also increased from 0.84 to 1.67 with increase in Co loading from 5\% to 13\% and remained almost constant (1.7) with further increase in Co loading up to 30\%. The highest activity (conversion 55\%) and selectivity of 99\% to p-vanillin obtained for 13\% Co-saponite in p-vanillyl alcohol oxidation was due to the highest distribution ratios of Co(3)O(4)/CoO phases. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Co-saponite, Cobalt oxide phase ratio, p-Vanillin, p-Vanillyl alcohol oxidation, Porosity transition, Temperature programmed reduction}, issn = {0169-1317}, doi = {10.1016/j.clay.2010.10.026}, author = {Garade, Ajit C. and Biradar, Narayan S. and Joshi, S. M. and Kshirsagar, V. S. and Jha, Ratnesh Kumar and Rode, Chandrashekhar V.} } @article { ISI:000298210100002, title = {Lithium tetrafluoroborate catalyzed highly efficient inter- and intramolecular aza-Michael addition with aromatic amines}, journal = {Comptes Rendus Chimie}, volume = {14}, number = {12}, year = {2011}, month = {DEC}, pages = {1059-1064}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
Lithium tetrafluoroborate has been demonstrated for the first time to be an efficient catalyst in intermolecular aza-Michael addition aromatic amines to electron deficient alkenes. Suitability of the same catalyst in intramolecular aza-Michael addition leading 2-aryl-2,3-dihydroquinolin-4(1H) ones has also been described. (C) 2011 Published by Elsevier Masson SAS on behalf of Academie des sciences.
}, keywords = {2-aryl-2, 3-dihydroquinolin-(4H)-1-ones, Anilines, Lithium tetrafluoroborate, Michael addition}, issn = {1631-0748}, doi = {10.1016/j.crci.2011.09.006}, author = {Lad, Uday P. and Kulkarni, M. A. and Desai, Uday V. and Wadgaonkar, P. P.} } @article { ISI:000292518500008, title = {Long-lived monsoon depressions of 2006 and their linkage with the Indian ocean Dipole}, journal = {International Journal of Climatology}, volume = {31}, number = {9}, year = {2011}, month = {JUL}, pages = {1334-1352}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
A highlight of the 2006 boreal summer monsoon season was the enhanced activity of long-lived monsoon depressions and low-pressure systems (LPS) over the Indian region. Another important phenomenon during this period was the evolution of a positive Indian Ocean Dipole (PIOD) event. Although previous studies have investigated the impact of PIOD on the large-scale monsoon response, their influence on monsoon LPS activity is not well understood. Based on detailed diagnostic analyses of monsoon LPS during 2006, as well as those associated with other PIOD events during 1958-2007, the present work addresses two specific issues concerning the roles of (a) PIOD-induced large-scale circulation changes and (b) internal feedbacks between latent heating and dynamics, in sustaining the monsoon LPS activity. The results show that PIOD conditions generally favour increased propensity of long-lived (\>5 days) LPS with long westward tracks extending into northwest India. The average contribution of long-lived monsoon LPS to the total is found to be approximately 12\% higher during PIOD episodes as compared to non-PIOD. The PIOD events showed two important large-scale elements conducive for enhancement of LPS activity: (a) strengthening of cross-equatorial moisture transport from south-eastern tropical Indian Ocean into the Bay of Bengal and (b) enrichment of barotropic instability of monsoon flow. Estimates of latent-heating profiles from TRMM-satellite products during the 2006 LPS showed heating in the mesoscale updrafts above 600 hPa with maximum approximately 400 hPa; while cooling prevailed in lower levels. Stratiform precipitation covered approximately 70-85\% of rain area during the prolonged LPS; and the large-scale monsoon Hadley-type circulation was found to be intensified with strong mid-level inflows entering the stratiform rain region. The overall findings suggest that the PIOD-induced background circulation together with internal feedbacks between mesoscale convective systems and large-scale circulation can effectively enhance the longevity of monsoon LPS. These results should serve as important inputs for numerical weather forecasting of extreme rainfall events associated with the regional monsoon phenomenon. Copyright (C) 2010 Royal Meteorological Society
}, keywords = {Indian ocean dipole, life period, monsoon depressions}, issn = {0899-8418}, doi = {10.1002/joc.2156}, author = {Krishnan, R. and Ayantika, D. C. and Kumar, Vinay and Pokhrel, Samir} } @article { ISI:000289763700026, title = {Low temperature pH dependent synthesis of flower-like ZnO nanostructures with enhanced photocatalytic activity}, journal = {Materials Research Bulletin}, volume = {46}, number = {5}, year = {2011}, month = {MAY}, pages = {771-778}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In the present study we have synthesized flower-like ZnO nanostructures comprising of nanobelts of 20 nm width by template and surfactant free low-temperature (4 degrees C) aqueous solution route. The ZnO nanostructures exhibit flower-like morphology, having crystalline hexagonal wurtzite structure with (001) orientation. The flowers with size between 600 and 700 nm consist of ZnO units having crystallite size of similar to 40 nm. Chemical and structural characterization reveals a significant role of precursor: ligand molar ratio, pH, and temperature in the formation of single-step flower-like ZnO at low temperature. Plausible growth mechanism for the formation of flower-like structure has been discussed in detail. Photoluminescence studies confirm formation of ZnO with the defects in crystal structure. The flower-like ZnO nanostructures exhibit enhanced photochemical degradation of methylene blue (MB) with the increased concentration of ligand, indicating attribution of structural features in the photocatalytic properties. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Catalytic properties, Defects, Nanostructures, Optical properties, Semiconductor}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2010.11.007}, author = {Vaishampayan, Mukta V. and Mulla, Imtiaz S. and Joshi, Satyawati S.} } @article { ISI:000285408700002, title = {Low thermal emissive surface properties of ZnO/polyimide composites prepared by pulsed laser deposition}, journal = {Applied Surface Science}, volume = {257}, number = {6}, year = {2011}, month = {JAN}, pages = {1824-1828}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We report the low thermal-emissive surface properties of composites of ZnO-polyimide. The composites were synthesized by depositing ZnO on polyimide surface by pulsed laser deposition technique. ZnO target was ablated at different incident energy densities and the substrate (polyimide) was held at elevated temperature. This facilitated the c-axis oriented growth of ZnO, which was inferred from the X-ray diffraction analysis. The composites consisted of multilayers having different electrical resistivities. The values of which are also estimated from Hagen-Rubens relation. The reduced infrared emissivities of the composite films, as compared to polyimide, were correlated to the increased carrier concentration and reduced surface resistivity estimated from the Hall measurements. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {pulsed laser deposition, Thermal emissivity, Thin films, Zinc oxide}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2010.08.083}, author = {Babrekar, Harshada A. and Jejurikar, S. M. and Jog, Jyoti Prakash and Adhi, K. P. and Bhoraskar, S. V.} } @article { ISI:000293175800026, title = {Maghemite (hematite) core (shell) nanorods via thermolysis of a molecular solid of Fe-complex}, journal = {Dalton Transactions}, volume = {40}, number = {31}, year = {2011}, month = {2011}, pages = {8003-8011}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An Fe-metal complex with 2{\textquoteright}-hydroxy chalcone (2{\textquoteright}-HC) ligands [Fe(III) (2{\textquoteright}-hydroxy chalcone) 3] is synthesized by a chemical route and is subjected to different thermal treatments. Upon thermolysis in air at 450 degrees C for 3 h the complex yields maghemite (gamma-Fe(2)O(3)) nanorods with a thin hematite (alpha-Fe(2)O(3)) shell. X-Ray diffraction (XRD), Mossbauer spectroscopy, diffuse reflectance spectroscopy (UV-DRS), high resolution transmission electron microscopy (HR-TEM), field emission scanning electron microscopy (FE-SEM) and vibrating sample magnetometry (VSM) are used to characterize the samples. The stability of the ligand and the Fe-complex is further examined by using thermogravimmetric/differential thermal analysis (TGA/DTA). We suggest a residual ligand controlled mechanism for the formation of an anisotropic nanostructure in a crumbling molecular solid undergoing ligand decomposition. Since the band gap of iron oxide is in the visible range, we explored the use of our core shell nano-rod sample for photocatalytic activity for H(2) generation by H(2)S splitting under solar light. We observed high photocatalytic activity for hydrogen generation (75 ml h(-1)).
}, issn = {1477-9226}, doi = {10.1039/c1dt10319a}, author = {Chaudhari, N. S. and Warule, S. S. and Muduli, Subas and Kale, B. B. and Jouen, Samuel and Lefez, Benoit and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000293741800076, title = {Magnetic and electric responsive hydrogel-magnetic nanocomposites for drug-delivery application}, journal = {Journal of Applied Polymer Science}, volume = {122}, number = {2}, year = {2011}, month = {OCT}, pages = {1364-1375}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Magnetic and electrically responsive hydrogel networks were developed for drug-delivery applications. The hydrogel matrices were synthesized by the polymerization of acrylamide monomer in the presence of carboxymethylcellulose (CMC) or methylcellulose (MC) with N,N-methylenebisacrylamide, a crosslinker with the redox initiating system ammonium persulfate/tetramethylethylenediamine. The magnetic nanoparticles were generated throughout these hydrogel matrices by an in situ method by the incorporation of iron ions and their subsequent reduction with ammonia. A series of hydrogel-magnetic nanocomposites (HGMNCs) were developed with various CMC and MC compositions. The synthesized HGMNCs were characterized with spectral (Fourier transform infrared and ultraviolet-visible spectroscopy), X-ray diffraction, thermal, and microscopy methods. These HGMNCs contained iron oxide (Fe3O4) nanoparticles with an average particle size of about 22 nm, as observed by transmission electron microscopy. The dielectrical properties of the pure hydrogel (HG); the hydrogel loaded with iron ions, or the hydrogel iron-ion composite (HGIC); and the HGMNCs were measured. These results suggest that HGMNCs exhibited higher dielectric constants compared to HG and HGICs. The curcumin loading and release characteristics were also measured for HG, HGIC, and HGMNC systems. These data revealed that there was a sustained release of curcumin from HGMNCs because of the presence of magnetic nanoparticles in the hydrogel networks. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 122: 1364-1375, 2011
}, keywords = {hydrogels, magnetic polymers, Nanocomposites, nanoparticle, nanotechnology}, issn = {0021-8995}, doi = {10.1002/app.34016}, author = {Reddy, N. Narayana and Mohan, Y. Murali and Varaprasad, K. and Ravindra, S. and Joy, Pattayil Alias and Raju, K. Mohana} } @article { ISI:000288772300011, title = {Magnetic properties of thermal plasma synthesized nanocrystalline nickel ferrite (NiFe2O4)}, journal = {Journal of Alloys and Compounds}, volume = {509}, number = {12}, year = {2011}, month = {MAR}, pages = {4404-4413}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A rapid synthesis method is reported for magnetic nanoparticles of nickel ferrite involving thermal plasma assisted vapor phase condensation process. The as-synthesized samples were characterized by X-ray Diffraction, Transmission Electron Microscopy, Vibrating Sample Magnetometer and X-ray Photoelectron Spectroscopy techniques. The average particle size was determined from the TEM micrographs and found to be around 30 nm. The effects of reactor parameters on the magnetic and structural properties have been evaluated, to find the optimized parameters so as to achieve the highest values of saturation magnetization and coercivity. Reasonably high saturation magnetization (48 emu/g) has been assigned to the high degree of crystallinity, achieved on account of high temperature during the growth, and the cation redistribution. The high value of coercivity (1150e) is explained on the basis of possible lattice defects arising from the cation redistribution. Detailed analysis of cation distribution using the XRD line intensity data leads to the conclusion that these samples are iron deficit and nickel rich. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {crystal structure, Magnetic measurements, Magnetization, Nanostructured materials, TEM}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2011.01.057}, author = {Nawale, Ashok B. and Kanhe, Nilesh S. and Patil, K. R. and Bhoraskar, S. V. and Mathe, Vikas L. and Das, A. K.} } @article { ISI:000289518000002, title = {Magnetite/CdTe magnetic-fluorescent composite nanosystem for magnetic separation and bio-imaging}, journal = {Nanotechnology}, volume = {22}, number = {22}, year = {2011}, month = {JUN}, pages = {Article No. 225101}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
A new synthesis protocol is described to obtain a CdTe decorated magnetite bifunctional nanosystem via dodecylamine (DDA) as cross linker. High resolution transmission electron microscopy (HRTEM), energy-dispersive x-ray spectroscopy (EDAX), vibrating sample magnetometry (VSM), Fourier transform infrared spectroscopy (FTIR), diffuse reflectance spectroscopy (DRS) and fluorescence microscopy are used to characterize the constitution, size, composition and physical properties of these superparamagnetic-fluorescent nanoparticles. These CdTe decorated magnetite nanoparticles were then functionalized with anti-epidermal growth factor receptor (EGFR) antibody to specifically target cells expressing this receptor. The EGFR is a transmembrane glycoprotein and is expressed on tumor cells from different tissue origins including human leukemic cell line Molt-4 cells. The magnetite-CdTe composite nanosystem is shown to perform excellently for specific selection, magnetic separation and fluorescent detection of EGFR positive Molt-4 cells from a mixed population. Flow cytometry and confocal laser scanning microscopy results show that this composite nanosystem has great potential in antibody functionalized magnetic separation and imaging of cells using cell surface receptor antibody.
}, issn = {0957-4484}, doi = {10.1088/0957-4484/22/22/225101}, author = {Kale, Anup and Kale, Sonia and Yadav, Prasad and Gholap, Haribhau and Pasricha, Renu and Jog, Jyoti Prakash and Lefez, Benoit and Hannoyer, Beatrice and Shastry, Padma and Ogale, Satishchandra B.} } @article { ISI:000285390900010, title = {Main-chain supramolecular block copolymers}, journal = {Chemical Society Reviews}, volume = {40}, number = {1}, year = {2011}, month = {JAN}, pages = {129-137}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Block copolymers are key building blocks for a variety of applications ranging from electronic devices to drug delivery. The material properties of block copolymers can be tuned and potentially improved by introducing noncovalent interactions in place of covalent linkages between polymeric blocks resulting in the formation of supramolecular block copolymers. Such materials combine the microphase separation behavior inherent to block copolymers with the responsiveness of supramolecular materials thereby affording dynamic and reversible materials. This tutorial review covers recent advances in main-chain supramolecular block copolymers and describes the design principles, synthetic approaches, advantages, and potential applications.
}, issn = {0306-0012}, doi = {10.1039/c0cs00073f}, author = {Yang, Si Kyung and Ambade, Ashootosh V. and Weck, Marcus} } @article { ISI:000288908100001, title = {Many manifestations of digestive ripening: monodispersity, superlattices and nanomachining}, journal = {New Journal of Chemistry}, volume = {35}, number = {4}, year = {2011}, month = {JAN}, pages = {755-763}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Digestive ripening has now been established as a very convenient route to obtain monodisperse nanoparticles from polydisperse ones by refluxing the latter in the presence of an excess ligand. Many ligands including long chain thiols, amines, or phosphines have been shown to be effective digestive ripening agents. It is hypothesized that the surface active groups of such digestive ripening agents bind and remove reactive surface atoms/clusters from big nanoparticles and redeposit them on smaller nanoparticles. In this way, large particles become smaller, while small particles become larger, and eventually, an equilibrium size is obtained that is specific to each of the digestive ripening agents used. Herein, the digestive ripening procedure is reviewed, discussed and its utility spanning the preparation of monodispersed metal nanoparticles, alloy nanoparticles, superlattice structures and the most interesting nano-machining (wherein the monodisperse particles can be reverted back to the polydisperse system) is demonstrated.
}, issn = {1144-0546}, doi = {10.1039/c0nj00359j}, author = {Sidhaye, Deepti S. and Bhagavatula L. V. Prasad} } @article { ISI:000290345300002, title = {Mapping of QTLs governing agronomic and yield traits in chickpea}, journal = {Journal of Applied Genetics}, volume = {52}, number = {1}, year = {2011}, month = {FEB}, pages = {9-21}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
Chickpea is one of the most important leguminous cool season food crops, cultivated prevalently in South Asia and Middle East. The main objective of this study was to identify quantitative trait loci (QTLs) associated with seven agronomic and yield traits in two recombinant inbred line populations of chickpea derived from the crosses JG62xVijay (JV population) and VijayxICC4958 (VI population) from at least three environments. Single locus QTL analysis involved composite interval mapping (CIM) for individual traits and multiple-trait composite interval mapping (MCIM) for correlated traits to detect pleiotropic QTLs. Two-locus analysis was conducted to identify the main effect QTLs (M-QTLs), epistatic QTLs (E-QTLs) and QTL x environment interactions. Through CIM analysis, a total of 106 significant QTLs (41 in JV and 65 in VI populations) were identified for the seven traits, of which one QTL each for plant height and days to maturity was common in both the populations. Six pleiotropic QTLs that were consistent over the environments were also identified. LG2 in JV and LG1a in VI contained at least one QTL for each trait. Hence, concentrating on these LGs in molecular breeding programs is most likely to bring simultaneous improvement in these traits.
}, keywords = {Cicer arietinum, QTL analysis, QTL x environment interaction, Two-locus analysis, Yield traits}, issn = {1234-1983}, doi = {10.1007/s13353-010-0016-y}, author = {Gowda, S. J. M. and Radhika, P. and Mhase, L. B. and Jamadagni, B. M. and Gupta, V. S. and Kadoo, Narendra Y.} } @article { ISI:000293993600017, title = {Method to extract intact and pure RNA from mycobacteria}, journal = {Analytical Biochemistry}, volume = {417}, number = {2}, year = {2011}, month = {OCT}, pages = {286-288}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
We describe a high-yielding, simple, and aerosol-free protocol for the isolation of RNA from mycobacteria that does not require sophisticated instruments. The method yielded 50 mu g of RNA from 10(7) cells, 50 times more than a recently reported method. Our method can extract total RNA from aerobically grown bacteria and from in vitro hypoxia-induced dormant bacilli and mycobacteria residing within infected macrophages. (C) 2011 Elsevier Inc. All rights reserved.
}, keywords = {Dormant, Hypoxia, Mycobacteria, RNA isolation, Spheroplast, Trizol}, issn = {0003-2697}, doi = {10.1016/j.ab.2011.06.028}, author = {Akhtar, Shamim and Sarkar, Sampa and Mishra, Abhishek and Sarkar, Dhiman} } @article { ISI:000295843900024, title = {MgCl2 center dot 6PhCH(2)OH - a new molecular adduct as support material for ziegler-natta catalyst: synthesis, characterization and catalytic activity}, journal = {Dalton Transactions}, volume = {40}, number = {41}, year = {2011}, month = {SEP}, pages = {10936-10944}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Benzyl alcohol has been used to prepare a single phase MgCl2 center dot 6BzOH molecular adduct as a support for an ethylene polymerization catalyst (Ziegler catalyst). The structural, spectroscopic and morphological aspects of the MgCl2 center dot 6BzOH molecular adduct and the Ziegler catalyst have been thoroughly studied by various physicochemical characterization techniques. The presence of MgO6 octahedrons due to the interaction of Mg2+ with six -OH groups of the benzyl alcohol is confirmed from a Raman feature at 703 cm(-1), and structural studies. The supported catalyst activity has been evaluated for the ethylene polymerization reaction. The lower polymerization activity of the titanated Ziegler-Natta catalyst compared with a standard catalyst is attributed to the strong interaction of titanium chloride with the support and associated electronic factors.
}, issn = {1477-9226}, doi = {10.1039/c1dt10786k}, author = {Gnanakumar, Edwin S. and Thushara, K. S. and Bhange, Deu S. and Mathew, Renny and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @article { ISI:000286904500164, title = {Microbial production of xylitol from D-xylose and sugarcane bagasse hemicellulose using newly isolated thermotolerant yeast Debaryomyces hansenii}, journal = {Bioresource Technology}, volume = {102}, number = {3}, year = {2011}, month = {FEB}, pages = {3304-3308}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A thermotolerant yeast capable of fermenting xylose to xylitol at 40 C was isolated and identified as a strain of Debaryomyces hansenii by ITS sequencing. This paper reports the production of xylitol from D-xylose and sugarcane bagasse hemicellulose by free and Ca-alginate immobilized cells of D. hansenii. The efficiency of free and immobilized cells were compared for xylitol production from D-xylose and hemicellulose in batch culture at 40 degrees C. The maximum xylitol produced by free cells was 68.6 g/L from 100 g/L of xylose, with a yield of 0.76 g/g and volumetric productivity 0.44 g/L/h. The yield of xylitol and volumetric productivity were 0.69 g/g and 0.28 g/L/h respectively from hemicellulosic hydrolysate of sugarcane bagasse after detoxification with activated charcoal and ion exchange resins. The Ca-alginate immobilized D. hansenii cells produced 73.8 g of xylitol from 100 g/L of xylose with a yield of 0.82 g/g and volumetric productivity of 0.46 g/L/h and were reused for five batches with steady bioconversion rates and yields. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Immobilization, Sugarcane bagasse hemicellulose, Thermotolerant Debaryomyces hansenii, xylitol, Xylose}, issn = {0960-8524}, doi = {10.1016/j.biortech.2010.10.074}, author = {Prakash, Gyan and Varma, Anjanikumar and Prabhune, Asmita and Shouche, Yogesh and Rao, Mala} } @article { ISI:000295236700066, title = {Microencapsulation enhances the anti-ulcerogenic properties of entada africana leaf extract}, journal = {Journal of Ethnopharmacology}, volume = {137}, number = {1}, year = {2011}, month = {SEP}, pages = {553-561}, publisher = {ELSEVIER IRELAND LTD}, address = {ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND}, abstract = {
Ethnopharmacological relevance: The antiulcer potentials of most plants still remain largely unexplored, despite their prospects evidenced by their use as ethnomedicine. Entada africana (Mimosaceae) has been widely used in Africa for the treatment of skin infections, wounds, tonic for stomach troubles and against diphtheria-like throat complaints. The aim of the present study was to evaluate the anti-ulcer properties of Entada africana (EA) ethanol leaf extract and to obtain a novel multiparticulate pharmaceutical formulation (ACE) with it. Materials and methods: Ethanol or Indomethacin was administered to rats after oral administration of EA (200, 400 and 800 mg extract/kg b.w), ACE (400 and 800 mg/kg bw), cimetidine (100 mg/kg bw), misoprostol (40 mu g/kg bw) or distilled water/saline (vehicle). Anti ulcer property was evaluated by examining and scoring stomach lesions. Results: The extract exhibited significant (P \< 0.01) cytoprotective effect against ethanol and indomethacin induced gastro ulceration. The microcapsules showed enhanced cytoprotective effect against ethanol and indomethacin induced gastro ulceration. Histopathologically, the effects of EA and ACE on mucus epithelia were mild with reduced neutrophil, eosinophil and lymphocytic infiltration in stomach tissues of rats ulcerated with ethanol. Conclusions: Our current findings show that EA and its multiparticulate formulation may be a useful preparation in peptic ulcer disease. (C) 2011 Elsevier Ireland Ltd. All rights reserved.
}, keywords = {Alginate, Antiulcer, Calcium chloride, Entada africana, Microcapsules}, issn = {0378-8741}, doi = {10.1016/j.jep.2011.06.012}, author = {Obidike, I. C. and Emeje, M. O.} } @article { ISI:000234250400007, title = {Microwave-hydrothermal (MH) synthesis of Ba1-xSrxTiO3 (BST)}, journal = {Ferroelectrics}, volume = {327}, year = {2011}, note = {4th Asian Meeting on Ferroelectricity (AMF-4), Indian Inst Sci, Bangalore, INDIA, DEC 12-15, 2003}, month = {MAR}, pages = {39-43}, publisher = {Dept Sci \& Technol; Defense R\& D Org; Council Sci \& Ind Res; Mat Res Soc India; Indian Inst Sci; IEEE UFFC; Taylor \& Francis Sci Publ; Int Journal FERROELECT}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
The barium-strontium titanate (BST) powders are used in fabrication of various microelectronic devices (because of their field- \& composition dependent dielectric properties), integrated capacitors \& as thin dielectric layer in DRAM (dynamic random access memories). The utility of MH synthesis route in deriving the BST powders was explored in the present studies under strongly alkaline conditions (pH \> 12). Potassium titanyl oxalate (KTO) and nitrates of Ba \& Sr were used as the starting precursors and KOH as a mineralizer. The typical BST composition, namely, BST with Sr = 0.25 was chosen for the experimentation. All the MH experiments were carried out in the MARS-5 microwave accelerated digestion system (CEM Corpn., USA). The stoichiometric BST powders were obtained under the MH conditions of 200 degrees C, 200 psi, and 30 min when the Ba/Sr ratio (greater than or similar to 3.25) was kept slightly in excess. The acetic acid treated and water washed MH derived powders showed formation of exclusively cubic BST phase (a(0) = 3.992 A degrees) as confirmed by XRD. These powders were further processed in the form of disks and sintered at high temperature (1350 degrees C/4 h) in air to obtain dense (rho \>= 92\%) ceramic bodies. Electrical measurements on the lapped and electroded samples (sintered at 1350 degrees C/4h) revealed epsilon(T-c) = 6800, tan delta = 0.1\% and T-c = 32 degrees C. These properties are comparable to the reported standard data in the literature.
}, issn = {0015-0193}, doi = {10.1080/00150190500316226}, author = {Deshpande, S. B. and Khollam, Y. B. and Potdar, H. S.} } @article { ISI:000297792700001, title = {Mode-coupling glass transition in a fluid confined by a periodic potential}, journal = {Physical Review E}, volume = {84}, number = {6, 1}, year = {2011}, month = {DEC}, pages = {061501}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
We show that a fluid under strong spatially periodic confinement displays a glass transition within mode-coupling theory at a much lower density than the corresponding bulk system. We use fluctuating hydrodynamics, with confinement imposed through a periodic potential whose wavelength plays an important role in our treatment. To make the calculation tractable we implement a detailed calculation in one dimension. Although we do not expect simple 1d fluids to show a glass transition, our results are indicative of the behavior expected in higher dimensions. In a certain region of parameter space we observe a three-step relaxation reported recently in computer simulations [S. H. Krishnan, Ph.D. thesis, Indian Institute of Science (2005); Kim et al., Eur. Phys. J. Special Topics 189, 135 (2010)] and a glass-glass transition. We compare our results to those of Krakoviack [Phys. Rev. E 75, 031503 (2007)] and Lang et al. [Phys. Rev. Lett. 105, 125701 (2010)].
}, issn = {1539-3755}, doi = {10.1103/PhysRevE.84.061501}, author = {Nandi, Saroj Kumar and Bhattacharyya, Sarika Maitra and Ramaswamy, Sriram} } @article { ISI:000290357000002, title = {Modeling \& simulation of micro reactor with nitration of 2-methyl-4,6 dihydroxy-pyrimidine}, journal = {Science and Technology of Energetic Materials}, volume = {72}, number = {1-2}, year = {2011}, month = {JAN}, pages = {9-20}, publisher = {JAPAN EXPLOSIVES SOC}, address = {C/O JAPAN EXPLOSIVES INDUSTRY ASSOC, ICHIJOJI BLDG., 2-3-22 AZABUDAI, MINATO-KU, TOKYO, 106-0041, JAPAN}, abstract = {
Nitration of 2-methyl-4,6-dihydroxypyrimidine (MDP) using concentrated sulfuric acid and nitric acid as nitrating mixture is a highly exothermic and hazardous reaction. Conducting such reaction in a batch reactor follow an unsteady state and its trajectory depends on various important parameters such as initial reactor temperature, initial composition of reaction mass, temperature of circulating coolant, etc. However, over all productivity, process control and safety of the batch process is highly restricted due to lower surface to volume ratio. In the present work, an effort has been made to over come the limitations of batch reactor by using the novel micro reactor device. Micro reactor is having extremely high surface to volume ratio, which has been explored to carry out nitration of MDP both numerically as well as experimentally and the results were compared with conventional batch reactor. The micro reaction system has been modeled using two dimensional (2-D) heat flow and mass transfer equations. The kinetic rate equation for nitration of MDP has evaluated experimentally by differential method which is used in modeling of the micro reactor. The numerical results from the 2-D model for conversion and temperature profile along the length and radius of micro reactor have been compared with corresponding results obtained from batch reactor. In order to validate the model, several experiments were conducted in micro reactor set-up with the variation of flow rate, residence time, concentration, temperature, etc. The experimental results from micro reactor revealed that nitration of MDP takes place even at much lower concentration and lower residence time with better control of temperature profile. Also, the reaction takes place in laminar region compared to turbulent region in corresponding batch reactor setup.
}, keywords = {2-D modeling, 2-methyl-4, 6 dihydroxypyrimidine, Batch reactor, micro reactor}, issn = {1347-9466}, author = {Mandal, Alok Kumar and Pandey, Raj Kishore and Asthana, Nandan and Kulkarni, Amol and Kulkarni, Bhaskar Dattatraya} } @conference {43382, title = {Molecular dynamics simulations of ch4 clathrate hydrate dissociation adjacent to hydrated silica surfaces}, booktitle = {7th International Conference on Gas Hydrates}, year = {2011}, month = {JUL}, abstract = {
We use molecular dynamics simulations to study the decomposition of structure I CH4 clathrate hydrate exposed to water. Simulations are performed for a hydrate + water system and two related cases with the hydrate adjacent to hydrate silica layers. The simulations are in the NVE adiabatic ensemble paying careful attention to the non-isothermal nature of the hydrate dissociation process. The effects of mass and energy transfer on the hydrate dissociation rate are studied. The effect of the silica surface on the dissociation rate and mechanism are studied. It is observed that the hydrate layer decomposes more quickly in simulations where it is in contact with silica. The implications on decomposition of the hydrate in hydrate reservoirs adjacent to sand sediments are discussed.
}, author = {Bagherzadeh, A. and Englezos, Peter and Alavi, S. and Kumar, Rajnish and Ripmeester, John A.} } @article { ISI:000292455700027, title = {Money handling and obesity: a test of the exaptation hypothesis}, journal = {Current Science}, volume = {100}, number = {11}, year = {2011}, month = {JUN}, pages = {1695-1700}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
The food reward centres in the brain play a central role in the regulation of food intake and thereby obesity. In the modern lifestyle, a number of artificial rewards such as money have been introduced and brain areas evolved for handling food rewards appear to be exapted to handle money and other rewards. This implies that the changing behaviour related to these rewards could influence obesity. Considering money as a reward, we conducted a survey of 211 full-time cashiers to test whether ownership over cash, amount of cash handled and duration of cash-handling work correlated with obesity parameters. Body mass index was significantly affected by sex, ownership, amount of money handled and duration of cash-handling service. Waist-to-hip ratio was significantly affected by sex, amount of money handled and marginally by ownership. The results are compatible with the exaptation hypothesis. It is possible that increasing importance of non-food rewards may play a significant role in the obesity epidemic.
}, keywords = {Body weight, economics of obesity, exaptation hypothesis, money handling}, issn = {0011-3891}, author = {Karve, Shraddha and Shurpali, Ketaki and Dahanukar, Neelesh and Paranjape, Sharayu and Jog, Maithili and Belsare, Prajakta and Watve, Milind} } @article { ISI:000292118800013, title = {Morphological changes in nanoparticulate silver films due to electron beam irradiation of polystyrene substrates}, journal = {Nuclear Instruments \& Methods in Physics Research Section B-Beam Interactions With Materials and Atoms}, volume = {269}, number = {13}, year = {2011}, month = {JUL}, pages = {1534-1539}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Results of the studies on the effect of 8 MeV electron beam irradiation of polystyrene substrates on the morphology of silver particulate films deposited at 455 K in a vacuum of 8 x 10(-6) Torr are reported. Optical absorption studies show the presence of transverse and longitudinal plasmon resonance for films deposited on irradiated polystyrene. Scanning electron microscopy reveals a decrease in particle size with smaller inter-particle separation for irradiated films. Larger clusters are formed in the case of films deposited on polystyrene after 300 h of irradiation. In this paper, we show that the morphology of silver nanoparticulate films can be modified by electron irradiation of inert polymer substrates like polystyrene. The change observed due to irradiation is attributed to the formation of free radicals, thereby altering the polymer-metal interaction. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Electron bombardment, Optical properties, Particulate films, Polymers, Silver, surface morphology}, issn = {0168-583X}, doi = {10.1016/j.nimb.2011.04.109}, author = {Pattabi, Manjunatha and Gurumurthy, S. C. and Sanjeev, Ganesh and Gaikwad, A. B.} } @article { ISI:000290692400035, title = {Morphology and polymorphic phase changes of calcium carbonate micro/nanocrystals using fruit extracts}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {11}, number = {5}, year = {2011}, month = {MAY}, pages = {3997-4003}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {
This study reveals the morphology and polymorphic phase changes of calcium carbonate crystals into a mixture of calcite and aragonite micro/nanocrystals of interesting morphology at room temperature by a simple reaction with fruit extracts of Tamarindus indica and Emblica officinalis respectively by mixing CaCO(3) solutions with their corresponding extracts. The control experiments were carried out to establish the plausible role of tartaric acid from Tamarindus indica and ascorbic acid from Emblica officinalis in this regard. The quantitative determination of CaCO(3) phases was done based on the use of intensities obtained from corresponding XRD spectrum. The molar \%. of aragonite was found to be more in case of TA and AA rather than TI and EO respectively, however the calcite was observed to be the predominant phase in all four reactions. Interestingly, the TI changes the rhombohedral morphology of calcite to elongated rods, whereas EO induces a great polymorphic phase change.
}, keywords = {Aragonite, Calcite, Emblica officinalis, Morphology Changes, Polymorphic Changes, Tamarindus indica}, issn = {1533-4880}, doi = {10.1166/jnn.2011.4133}, author = {Ankamwar, Balaprasad} } @article {42766, title = {Nanoparticles that communicate in vivo to amplify tumour targeting}, journal = {Nature Materials}, volume = {10}, year = {2011}, month = {JUL}, pages = {545-552}, doi = {10.1038/NMAT3049}, author = {von Maltzahn, Geoffrey and Park, Ji-Ho and Lin, Kevin Y. and Singh, Neetu and Schwoeppe, Christian and Mesters, Rolf and Berdel, Wolfgang E. and Ruoslahti, Erkki and Sailor, Michael J. and Bhatia, Sangeeta N.} } @article { ISI:000288189100018, title = {Nanostructured spinet ZnCo2O4 for the detection of LPG}, journal = {Sensors and Actuators B-Chemical}, volume = {152}, number = {1}, year = {2011}, month = {FEB}, pages = {121-129}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Nanostrucutred spinel ZnCo2O4 (similar to 26-30 nm) was synthesized by calcining the mixed precursor (consisting of cobalt hydroxyl carbonate and zinc hydroxyl carbonate) in air at 600 degrees C for 5 h. The mixed precursor was prepared through a low cost and simple co-precipitation/digestion method. The transformation of the mixed precursor into nanostructured spinel ZnCO2O4 upon calcinations was confirmed by X-ray diffraction (XRD) measurement, thermogravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS) and high resolution transmission electron microscopy (HRTEM). To demonstrate the potential applicability of ZnCo2O4 spinel in the fabrication of gas sensors, its LPG sensing characteristics were systematically investigated. The ZnCo2O4 spinel exhibited outstanding gas sensing characteristics such as, higher gas response (similar to 72-50 ppm LPG gas at 350 degrees C), response time (similar to 85-90 s), recovery time (similar to 75-80 s), excellent repeatability, good selectivity and relatively lower operating temperature (similar to 350 degrees C). The experimental results demonstrated that the nanostructured spinel ZnCo2O4 is a very promising material for the fabrication of LPG sensors with good sensing characteristics. Plausible LPG sensing mechanism is also discussed. (c) 2010 Elsevier B.V. All rights reserved.
}, keywords = {HRTEM, LPG sensor, Nanostructured ZnCo2O4, Semiconductor gas sensors, XPS}, issn = {0925-4005}, doi = {10.1016/j.snb.2010.09.001}, author = {Vijayanand, Subramanian and Joy, Pattayil Alias and Potdar, Hari S. and Patil, Dewyani and Patil, Pradip} } @article {42716, title = {New CNN-type ruthenium pincer NHC complexes. synthesis and catalytic activity. mild, efficient hydrogenation of esters}, journal = {Organometallics}, volume = {30}, year = {2011}, month = {JUN}, pages = {3826{\textendash}3833}, abstract = {
New pincer ruthenium complexes (2{\textendash}6) based on the new bipyridine-NHC ligand 1 were prepared and studied, resulting in an efficient catalytic hydrogenation of esters to the corresponding alcohols under mild conditions. Reaction of the ligand 1 with RuH(Cl)CO(PPh3)3, followed by reaction with one equivalent of the base KHMDS, gave the mixed phosphine-NHC complex 2, incorporating a C{\textendash}H-activated bipyridine ligand. Complex 2 has an octahedral structure containing two phosphorus atoms trans to each other, a hydride trans to the NHC ligand, and CO trans to the C{\textendash}H-activated carbon of the bipyridine ligand. Using the precursor complex Ru(p-cymene)Cl2(CO), reaction with 1 followed by treatment of the intermediate product with one equivalent of KHMDS resulted in formation of the dichloride pincer complexes 3a and 3b, which are in equilibrium, as indicated by variable-temperature 1H NMR. Complex 3a is an octahedral, neutral, and symmetric complex with the CO ligand positioned trans to the central pyridine group of the pincer ligand and the two chlorides trans to each other, as indicated by single-crystal X-ray diffraction. Complex 3b is cationic, with an outer-sphere chloride. Reaction of the NHC ligand 1 with LiHMDS at low temperature followed by addition of RuH(Cl)CO(PPh3)3 resulted in the mixed phosphine-NHC complex 4, which has an octahedral structure containing phosphorus trans to the hydride, a CO trans to the NHC ligand, and an outer-sphere chloride. Chloride substitution by BArF{\textendash} gave the X-ray-characterized complex 5. Deprotonation of complex 4 with KHMDS resulted in formation of the dearomatized complex 6. The in situ prepared 6 (from complex 4 and an equivalent of base) is among the best catalysts known for the hydrogenation of nonactivated esters to the corresponding alcohols under mild conditions.
}, doi = {10.1021/om200367j}, author = {Fogler, Eran and Balaraman, Ekambaram and Ben-David, Yehoshoa and Leitus, Gregory and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000295259700041, title = {N-Heterocyclic carbene catalyzed umpolung of michael acceptors for intermolecular reactions}, journal = {Angewandte Chemie-International Edition}, volume = {50}, number = {36}, year = {2011}, month = {AUG}, pages = {8412-8415}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
eahciM! The N-heterocyclic carbene catalyzed umpolung of Michael acceptors proceeds through the formation of a deoxy-Breslow intermediate (see scheme; EWG=electron-withdrawing group). This nucleophilic species can react with other Michael acceptors in an intermolecular fashion, thereby resulting in the formation of homo- or heterodimeric olefins. This {\textquotedblleft}Michael umpolung{\textquotedblright} should become a valuable method for the formation of densely functionalized olefins.
}, keywords = {carbenes, Michael acceptors, nitrogen heterocycles, organocatalysis, umpolung}, issn = {1433-7851}, doi = {10.1002/anie.201103555}, author = {Biju, Akkattu T. and Padmanaban, Mohan and Wurz, Nathalie E. and Glorius, Frank} } @article {42450, title = {N-heterocyclic carbene-catalyzed cross-coupling of aromatic aldehydes with activated alkyl halides}, journal = {Organic Letters}, volume = {13}, year = {2011}, month = {NOV}, pages = {98{\textendash}101}, abstract = {
N-Heterocyclic carbene-catalyzed umpolung of aldehydes followed by their interception with diarylbromomethanes has been reported. This conceptually novel transition-metal-free cross-coupling of aldehydes with alkyl halides works well at low catalyst loadings and under mild reaction conditions leading to the formation of diaryl acetophenone derivatives in good yields. In addition, α-halo ketones and esters can also be used as aldehyde reaction partners.
}, doi = {10.1021/ol102626p}, author = {Padmanaban, Mohan and Biju, Akkattu T. and Glorius, Frank} } @article { ISI:000294500600079, title = {Novel application of a Fe-Zn double-metal cyanide catalyst in the synthesis of biodegradable, hyperbranched polymers}, journal = {Chemical Communications}, volume = {47}, number = {37}, year = {2011}, month = {AUG}, pages = {10449-10451}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The use of Fe-Zn double-metal cyanide as a solid catalyst for synthesizing biodegradable, hyperbranched polymers from diacids and glycerol has been reported, for the first time, wherein acidity, micro-mesoporosity and hydrophobicity of the catalyst played an important role in controlling gelation.
}, issn = {1359-7345}, doi = {10.1039/c1cc13443d}, author = {Sebastian, Joby and Srinivas, Darbha} } @article { ISI:000292113700065, title = {Novel catalyst-free synthesis of vertically aligned silicon nanowire-carbon nanotube heterojunction arrays for high performance electron field emitters}, journal = {Chemical Communications}, volume = {47}, number = {27}, year = {2011}, month = {JUN}, pages = {7785-7787}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel, catalyst-free strategy for the direct synthesis of vertically aligned silicon nanowire-carbon nanotube (SiNW-CNT) heterojunction arrays is presented. Such a heterojunction with the junction area in the nanoscale displays enhanced field emission characteristics at low turn-on field, with a nearly three times increase in the field enhancement factor.
}, issn = {1359-7345}, doi = {10.1039/c1cc12243f}, author = {Kale, Vinayak S. and Sathe, Bhaskar R. and Kushwaha, Ajay and Aslam, Mohammed and Shelke, Manjusha V.} } @article { ISI:000293168000044, title = {Novel hybrids of fluconazole and furanones: design, synthesis and antifungal activity}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {21}, number = {16}, year = {2011}, month = {AUG}, pages = {4873-4878}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
During our efforts to develop new antifungal agents, a number of hybrid molecules containing furanones and fluconazole pharmacophores were designed and synthesized. The new chemical entities thus synthesized were tested for their potential as antifungal agents against various fungal strains and it was observed that the compounds with general structure 7 were potent inhibitors of Candida albicans ATCC 24433, Candida glabrata ATCC 90030, Candida tropicalis ATCC 750 and Candida neoformans ATCC 34664 while the fluconazole analogues 12 exhibited antifungal activity against Candida albicans ATCC 24433 and Candida glabrata ATCC 90030. The structure-activity relationship for these compounds is discussed. The synthetic strategies used in the present work have potential to prepare a large number of compounds for further refinement of structures to obtain molecules suitable for development as antifungal drugs. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Antifungal activity, Fluconazole, Furanones}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2011.06.022}, author = {Borate, Hanumant B. and Sawargave, Sangmeshwer P. and Chavan, Subhash P. and Chandavarkar, Mohan A. and Iyer, Ramki and Tawte, Amit and Rao, Deepali and Deore, Jaydeep V. and Kudale, Ananada S. and Mahajan, Pankaj S. and Kangire, Gopinath S.} } @article {43203, title = {Novel pyrazole-3-carboxamide derivatives as cannabinoid-1 (CB1) antagonists: journey from non-polar to polar amides}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {21}, year = {2011}, month = {JAN}, pages = {562-568}, abstract = {The synthesis and biological evaluation of novel pyrazole-3-carboxamide derivatives as CB1 antagonists are described. As a part of eastern amide SAR, various chemically diverse motifs were introduced. In general, a range of modifications were well tolerated. Several molecules with high polar surface area were also indentified as potent CB1 receptor antagonists. The in vivo proof of principle for weight loss is exemplified with a lead compound from this series. (C) 2010 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.bmcl.2010.10.055}, author = {Sasmal, Pradip K. and Reddy, D. Srinivasa and Talwar, Rashmi and Venkatesham, B. and Balasubrahmanyam, D. and Kannan, M. and Srinivas, P. and Kumar, K. Shiva and Devi, B. Neelima and Jadhav, Vikram P. and Khan, Sanjoy K. and Mohan, Priya and Chaudhury, Hira and Bhuniya, Debnath and Iqbal, Javed and Chakrabarti, Ranjan} } @article { ISI:000295068300093, title = {Novel route for rapid biosynthesis of lead nanoparticles using aqueous extract of Jatropha curcas L. latex}, journal = {Materials Letters}, volume = {65}, number = {19-20}, year = {2011}, month = {OCT}, pages = {3170-3172}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We are reporting a novel, low-cost and eco-friendly route for rapid synthesis of lead nanoparticles by using 0.5\% aqueous extract of Jatropha curcas L latex. Lead nanoparticles were characterized initially by UV-vis spectroscopy and shown distinct peak at 218 nm. This peak was highly specific for lead nanoparticles. Formation of Pb (0) was confirmed by X-ray diffraction technique (XRD).Transmission electron microscopy (TEM) was performed for estimating the size and shape of nanoparticles. The average size of lead nanoparticles was found to be in the range of 10 to 12.5 nm. Energy dispersive analysis of X-rays (EDAX) showed distinct peaks of lead. Fourier Transform Infrared Spectroscopy (FTIR) were performed to find the role of cyclic peptides namely curcacycline A (an octapeptide) and curcacycline B (a nonapeptide) as a possible reducing and capping agents present in the latex of Jatropha curcas L. Lead nanoparticles formed by the above method were monodisperse. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {FTIR, Latex, Lead nanoparticles, Nanoparticles}, issn = {0167-577X}, doi = {10.1016/j.matlet.2011.06.075}, author = {Joglekar, Shriram and Kodam, Kisan M. and Dhaygude, Mayur and Hudlikar, Manish} } @article { ISI:000287951200008, title = {Novel screening method based on menadione mediated rapid reduction of tetrazolium salt for testing of anti-mycobacterial agents}, journal = {Journal of Microbiological Methods}, volume = {84}, number = {2}, year = {2011}, month = {FEB}, pages = {202-207}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A microplate-based rapid, inexpensive and robust technique is developed by using tetrazolium salt 2, 3-bis [2-methyloxy-4-nitro-5-sulfophenyl]-2H-tetrazolium-5-carboxanilide (XTT) and menadione to determine the viability of Mycobacterium tuberculosis, Mycobacterium bovis BCG and Mycobacterium smegmatis bacilli in microplate format. In general, XTT reduction is an extremely slow process which takes almost 24 h to produce a detectable signal. Menadione could drastically induce this reduction to an almost equal extent within a few minutes in a dose dependent manner. The reduction of XTT is directly proportional to the cell concentration in the presence of menadione. The standardized protocol used 200 mu M of XTT and 60 mu M of menadione in 250 mu l of cell suspension grown either in aerobic or anaerobic conditions. The cell suspension of M. bovis BCG and M. tuberculosis were incubated for 40 min before reading the optical density at 470 nm whereas M. smegmatis was incubated for 20 min. Calculated Signal/Noise (S/N) ratios obtained by applying this protocol were 5.4, 6.4 and 9.4 using M. bovis BCG. M. tuberculosis and M. smegmatis respectively. The calculated Z{\textquoteright} factors were \> 0.8 for all mycobacterium bacilli indicating the robustness of the XTT Reduction Menadione Assay (XRMA) for rapid screening of inhibitors. The assay protocol was validated by applying 10 standard anti-tubercular agents on M. tuberculosis, M. bovis BCG and M. smegmatis. The Minimum Inhibitory Concentration (MIC) values were found to be similar to reported values from Colony Forming Unit (CFU) and REMA (resazurin microplate assay) assays. Altogether. XRMA is providing a novel anti-tubercular screening protocol which could be useful in high throughput screening programs against different physiological stages of the bacilli. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Menadione, Mycobacterium tuberculosis, Tetrazolium salt, XRMA}, issn = {0167-7012}, doi = {10.1016/j.mimet.2010.11.013}, author = {Singh, Upasana and Akhtar, Shamim and Mishra, Abhishek and Sarkar, Dhiman} } @article { ISI:000289763700002, title = {Novel solar light driven photocatalyst, zinc indium vanadate for photodegradation of aqueous phenol}, journal = {Materials Research Bulletin}, volume = {46}, number = {5}, year = {2011}, month = {MAY}, pages = {635-638}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In the present investigation, we have demonstrated the synthesis of novel photocatalyst, zinc indium vanadate (ZIV) by solid solid state route using respective oxides of zinc, indium and vanadium. This novel photocatalyst was characterized using XRD, FESEM, UV-DRS and FTIR in order to investigate its structural, morphological and optical properties. XRD clearly shows the formation of phase pure ZIV of triclinic crystal structure with good crystallinity. FESEM micrographs showed the clustered morphology having particle size between 0.5 and 1 mu m. Since, optical study showed the band gap around 2.8 eV, i.e. in visible region, we have performed the photocatalytic activity of phenol degradation under visible light irradiation. The photodecomposition of phenol by ZIV is studied for the first time and an excellent photocatalytic activity was obtained using this novel photocatalyst. Considering the band gap of zinc indium vanadate in visible region, it will also be the potential candidate for water splitting. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Catalytic properties, Chemical synthesis, Oxides, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2011.02.005}, author = {Mahapure, Sonali A. and Rane, Vilas H. and Ambekar, Jalindar D. and Nikam, Latesh K. and Marimuthu, R. and Kulkarni, Milind V. and Kale, Bharat B.} } @article { ISI:000298175400132, title = {Novel synthesis of nano-calcium carbonate (CaCO3)/polystyrene (PS) core-shell nanoparticles by atomized microemulsion technique and its effect on properties of polypropylene (PP) composites}, journal = {Polymers for Advanced Technologies}, volume = {22}, number = {12}, year = {2011}, month = {DEC}, pages = {2571-2582}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Calcium carbonate (CaCO3)/polystyrene (PS) nanoparticles (\< 100 nm) with core-shell structure were synthesized by atomized microemulsion technique. The polymer chains were anchored onto the surface of nano-CaCO3 through triethoxyvinyl silane (TEVS) as a coupling agent. Ammonium persulfate (APS), sodium dodecyl sulfate (SDS) and n-pentanol were used as initiator, surfactant, and cosurfactant, respectively. Polymerization mechanism of core-shell latex particles was discussed. Encapsulation of nano-CaCO3 by PS was confirmed by using transmission electron microscope (TEM). Grafting percentage of core-shell particles was investigated by Thermogravimetric Analyzer (TGA). Nano-CaCO3/PS core-shell particles were characterized by Fourier transform infrared (FTIR) spectrophotometer and differential scanning calorimeter (DSC). The results of FTIR revealed existence of a strong interaction at the interface of nano-CaCO3 particle and PS, which implies that the polymer chains were successfully grafted onto the surface of nano-CaCO3 particle through the link of the coupling agent. In addition, TGA and DSC results indicated an enhancement of thermal stability of core-shell materials compared with the pure nano-PS. Nano-CaCO3/PS particles were blended with polypropylene (PP) matrix on Brabender Plastograph by melt process with different wt\% of loading (i.e. 0.1-1 wt\%). The interfacial adhesion between nano-CaCO3 particles and PP matrix was significantly improved when the nano-CaCO3 particles were grafted with PS, which led to increased thermal, rheological, and mechanical properties of (nano-CaCO3/PS)/PP composites. Scanning electron microscope (SEM) and atomic force microscope (AFM) images showed a perfect dispersion of the nano-CaCO3 particles in PP matrix. Copyright (C) 2011 John Wiley \& Sons, Ltd.
}, keywords = {atomized microemulsion, core-shell nanoparticles, mechanical properties, polypropylene (PP), Rheological properties, Thermal properties}, issn = {1042-7147}, doi = {10.1002/pat.1802}, author = {Mishra, Satyendra and Chatterjee, Aniruddha and Singh, RajPal} } @article { ISI:000294413400023, title = {Numerical and experimental studies on extrudate swell of branched polyethylene through axisymmetric and planar dies}, journal = {Journal of Polymer Engineering}, volume = {31}, number = {2-3, SI}, year = {2011}, month = {JUL}, pages = {217-221}, publisher = {WALTER DE GRUYTER \& CO}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {
Extrudate swell is simulated using an Arbitrary Lagrangian Eulerian (ALE) technique based finite element formulation and the same has been validated by comparing the results with reported numerical and experimental studies. In the present work we compare our ALE simulations with our own experimental data on the extrudate swell of commercial grade low density polyethylene (LDPE) resin. The resins were characterized for their rheological behavior in both shear and uniaxial extension. The polymers were extruded from a capillary under isothermal conditions and the extrudates were observed on-line using a video camera. ALE simulations were performed using molecular constitutive model like eXtended Pom-Pom (XPP) for branched (LDPE). The simulated extrudate swell was a good match with the experimental data. It was found that the swell values of LPDE through planar die are higher than the axisymmetric die.
}, keywords = {ALE-FEM, extrudate swell, polymer flow simulations, XPP}, issn = {0334-6447}, doi = {10.1515/POLYENG.2011.046}, author = {Ganvir, Vivek and Gautham, Basavarsu P. and Thaokar, Rochish and Lele, Ashish K. and Pol, Harshwardhan} } @article {43371, title = {One pot and single step hydrolytic process for the conversion of lignocellulose into value added chemicals}, number = {PCT/IN2010/000047}, year = {2011}, month = {AUG}, abstract = {The present invention provides a single step hydrolytic process for the conversion of lignocellulose, into value added chemicals wherein said process is catalyzed by at least one heterogeneous solid acid catalyst selected from a group comprising of zeolites, zeolites with Si/metal, mesoporous silica, oxides and phosphates, clays, ion-exchange resins, heteropolyacids, various sulfates, phosphates, selenates, crystalline materials and amorphous materials.}, author = {Dhepe, Paresh Laxmikant and Sahu, Ramakanta} } @article { ISI:000286902200016, title = {One-pot synthesis of 2,4,5-trisubstituted imidazoles using MoO3/SiO2, an efficient and recyclable catalyst}, journal = {Synthetic Communications}, volume = {41}, number = {5}, year = {2011}, month = {JAN}, pages = {PII 932996516}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
[image omitted] A simple one-pot synthesis has been developed for the synthesis of 2,4,5-trisubstituted imidazoles using an efficient and recyclable MoO3/SiO2 solid acid catalyst by condensation of benzil or benzoin, benzaldehyde, and ammonium acetate in acetonitrile as a solvent. Using this solid catalyst, the reactions could be carried out under mild reaction conditions with very good yield of imidazoles, up to 95\%. This catalyst could be recycled very easily, which makes this methodology environmentally benign.
}, keywords = {benzil, benzoin, cyclocondensation, imidazoles, MoO3, One-pot, SiO2, solid acid}, issn = {0039-7911}, doi = {10.1080/00397911003644415}, author = {Bhosale, Sidhanath V. and Kalyankar, Mohan B. and Nalage, Santosh V. and Bhosale, Dattatry S. and Pandhare, Swati L. and Kotbagi, Trupti V. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000287273000004, title = {One-pot three-component kabachnik-fields synthesis of alpha-aminophosphonates using H-beta zeolite catalyst}, journal = {Tetrahedron Letters}, volume = {52}, number = {8}, year = {2011}, month = {FEB}, pages = {863-866}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
One-pot three-component Kabachnik-Fields synthesis of alpha-aminophosphonates with high yields from the reaction between carbonyl compound, primary amine, and substituted phosphite can be carried out in a short period, using H-beta zeolite as a reusable catalyst. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Carbonyl compound, H-beta zeolite, Primary amine, Substituted phosphite}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.11.105}, author = {Tillu, V. H. and Dumbre, Deepa K. and Wakharkar, R. D. and Choudhary, Vasant R.} } @article { ISI:000289600300032, title = {One-step in situ synthesis of NHx-adsorbed rhodium nanocrystals at liquid-liquid interfaces for possible electrocatalytic applications}, journal = {Journal of Colloid and Interface Science}, volume = {358}, number = {1}, year = {2011}, month = {JUN}, pages = {238-244}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Nearly monodisperse rhodium nanoparticles with adsorbed NHx were synthesized at the CCl4-water interface. The presence of NHx-adsorbed species was confirmed by energy-dispersive X-ray analysis (EDX) and X-ray photoelectron spectroscopy (XPS) studies. The synthesis of controlled size 2-38 nm rhodium particles was studied as a function of reducing agent concentration by transmission electron microscopy (TEM). HRTEM confirmed the formation of rhodium nanoparticles having fringe spacing consistent with reported Rh (1 1 1) planes. The continuity of these films over an area of 1 x 1 pm was revealed by atomic force microscopy (AFM) studies. The electrocatalytic application of these nanostructure Rh-NHx), thin films for formaldehyde oxidation in 0.5 M NaOH was investigated by cyclic voltammetry. The Rh nanoparticles formed by the present strategy are expected to be useful for other catalytic applications also. (C) 2011 Elsevier Inc. All rights reserved.
}, keywords = {Hydrazine hydrate, Liquid-liquid interface, Nanoparticles, Rhodium, Thin films}, issn = {0021-9797}, doi = {10.1016/j.jcis.2011.02.065}, author = {Patil, V. S. and Krishna, S. R. and Hawaldar, Ranjit R. and Gaikwad, A. B. and Sathaye, S. D. and Patil, K. R.} } @article { ISI:000294656400011, title = {One-step stereospecific strategy for the construction of the core structure of the 5,11-methanomorphanthridine alkaloids in racemic as well as in optically pure form: synthesis of (+/-)-pancracine and (+/-)-brunsvigine}, journal = {European Journal of Organic Chemistry}, number = {24}, year = {2011}, month = {AUG}, pages = {4571-4587}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
The unique core structure of the complex pentacyclic 5,11-methanomorphanthridine has been constructed stereospecifically in one step by an intramolecular [3+2] cycloaddition of a non-stabilized azomethine ylide (AMY), generated by the sequential double desilylation of 14 using (AgF)-F-I as a one-electron oxidant. The formation of the single diastereomer in the key step is explained by the preferred transition state produced by endo attack of the AMY on the {\textquoteleft}{\textquoteleft}Re{\textquoteright}{\textquoteright} face of the dipolarophile. An asymmetric version of the cycloaddition using a chiral dipolarophile was applied to construct the core structure 68 with 63 \% ee. This strategy was successfully applied to the formal synthesis of (+/-)-pancracine and the total synthesis of (+/-)-brunsvigine. An unprecedented and interesting skeletal rearrangement product 49 was observed during the attempted assembly of the E ring from 46 through Horner-Wadsworth-Emmons reactions. Mechanisms involving azetidinium salt formation or the Grob-type fragmentation are advanced to explain the observed rearrangement.
}, keywords = {alkaloids, Azomethine ylides, Cycloaddition, Ring-closing metathesis, synthesis design}, issn = {1434-193X}, doi = {10.1002/ejoc.201100601}, author = {Pandey, Ganesh and Kumar, Ravindra and Banerjee, Prabal and Puranik, Vedavati G.} } @article { ISI:000295552400021, title = {One-step synthesis of 4-alkyl-3-aryl-2,6-dicyanoanilines and their use in the synthesis of highly functionalized 2,3,5,6,7-and 2,3,4,5,7-substituted indoles}, journal = {Tetrahedron Letters}, volume = {52}, number = {42}, year = {2011}, month = {OCT}, pages = {5491-5493}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A three-component, one-step method for the synthesis of 4-alkyl-3-aryl-2,6-dicyanoanilines involving reaction of alkyl aldehyde, malononitrile and aryl aldehyde in presence of morpholine is reported. Highly functionalized 2,3,5,6,7- and 2,3,4,5,7-substituted indoles were prepared from these dicyanoanilines by reaction with ethyl bromoacetate. These substituted dicyanoanilines and indoles have a potential to be converted into various other compounds taking advantage of various functional groups present in these molecules. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {aldehydes, Dicyanoanilines, indoles, Malononitrile}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.08.064}, author = {Sawargave, Sangmeshwer P. and Kudale, Ananada S. and Deore, Jaydeep V. and Bhosale, Dattatry S. and Divse, Jaisingh M. and Chavan, Subhash P. and Borate, Hanumant B.} } @article { ISI:000295665400063, title = {Optical and photocatalytic properties of single crystalline ZnO at the air-liquid interface by an aminolytic reaction}, journal = {Langmuir}, volume = {27}, number = {20}, year = {2011}, month = {OCT}, pages = {12751-12759}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Crystalline flowerlike ZnO was synthesized by an aminolytic reaction at the air-liquid interface in an aqueous media at an alkaline pH. A thin visible film was formed at the air-liquid interface by self-assembly of flowerlike ZnO. Diffraction studies show rearrangement of the single crystalline units at the air-liquid interface leading to the formation of nanobelts. These nanobelts overlap systematically to form petals of the flowerlike structure; individual petals get curved with time. Each nanobelt is found to be single crystalline and can be indexed as the hexagonal ZnO phase. The organic product formed in the aminolytic reaction and dissolution-reprecipitation mechanism is the driving force for the formation of flowerlike ZnO at the air-liquid interface. A clear relationship between the surface, photocatalytic, and photoluminescent properties of ZnO is observed. The flowerlike structure exhibits a blue shift (3.56 eV) in the band emission as compared to bulk ZnO (3.37 eV). The photodegradation of methylene blue over the flowerlike ZnO catalyst formed at the air-liquid interface and in the sediments shows enhanced photocatalytic activity. The sub-bands formed due to surface defects facilitate separation of charge carriers increasing their lifetime, leading to enhanced photocatalytic activity of flowerlike ZnO.
}, issn = {0743-7463}, doi = {10.1021/la203006n}, author = {Vaishampayan, Mukta V. and Mulla, Imtiaz S. and Joshi, Satyawati S.} } @article { ISI:000293288500004, title = {Ordered mesoporous silica as supports in the heterogeneous asymmetric catalysis}, journal = {Catalysis Surveys from Asia}, volume = {15}, number = {3}, year = {2011}, month = {SEP}, pages = {200-214}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Enantioselective synthesis of organic compounds has been studied by homogeneous catalysts for several years. However, these catalysts have yet to make a significant impact on industrial scales for fine chemical synthesis. A primary reason is the designing of a homogeneous asymmetric catalyst, which requires relatively bulky ligands and catalyst recovery and recycling often causes problems. One of the convincing ways to overcome this problem is to immobilise the asymmetric catalyst onto a solid support and the resulting heterogeneous asymmetric catalyst system can, in principle, be readily re-used. A large number of supports such as inorganic oxides including zeolites, alumina, zirconia, silica and organic polymers have been employed as supports in heterogeneous asymmetric catalysis. Therefore, in this review article we have summarized the work done by us in our laboratory on the immobilization of chiral transition metal complexes such as Ru, Ir, Mn and Ti onto ordered mesoporous silica and its asymmetric catalysis. All these immobilized catalysts were well characterized by different physicochemical techniques to confirm the structural retention of the support as well as the active metal complex after immobilization. This report includes our asymmetric catalytic investigations in enantioselective reactions such as hydrogenation of ketones, olefins, oxidation of sulfides and oxidative kinetic resolution of alcohols and sulfoxides through immobilized heterogeneous catalyst systems.
}, keywords = {Enantioselective hydrogenation, Enantioselective oxidation, Immobilization, Mesoporous silica, Oxidative kinetic resolution}, issn = {1571-1013}, doi = {10.1007/s10563-011-9122-z}, author = {Sahoo, Suman and Bordoloi, Ankur and Halligudi, Shivaraj B.} } @article { ISI:000297791400001, title = {Organocatalytic asymmetric 1,6-addition reactions}, journal = {Chemcatchem}, volume = {3}, number = {12}, year = {2011}, month = {DEC}, pages = {1847-1849}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, keywords = {Asymmetric synthesis, catalysis, Michael addition, organocatalysis, phase-transfer catalysis}, issn = {1867-3880}, doi = {10.1002/cctc.201100279}, author = {Biju, Akkattu T.} } @article { ISI:000291302900019, title = {Organocatalytic enantioselective approach to the synthesis of verbalactone and (R)-massoialactone}, journal = {Synthesis-Stuttgart}, number = {12}, year = {2011}, month = {JUN}, pages = {1954-1959}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
The organocatalytic enantioselective synthesis of verbalactone and (R)-massoialactone is described. The requisite stereogenic centers of the target molecules were constructed using L-proline-catalyzed alpha-aminoxylation and Horner-Wadsworth-Emmons (HWE) olefination. Yamaguchi macrolactonization and ring-closing metathesis were employed as key steps in the syntheses.
}, keywords = {alpha-aminoxylation, Horner-Wadsworth-Emmons olefination, L-proline, massoialactone, Ring-closing metathesis, verbalactone, Yamaguchi macrolactonization}, issn = {0039-7881}, doi = {10.1055/s-0030-1260051}, author = {Harbindu, Anand and Kumar, Pradeep} } @article { ISI:000298534500008, title = {Organocatalytic route to the synthesis of (6S)-5,6-dihydro-6-[(2R)-2-hydroxy-6-phenylhexyl]-2H-pyran-2-one and ravensara lactones}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {18-19}, year = {2011}, month = {OCT}, pages = {1749-1756}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An organocatalytic enantioselective synthesis of the title compounds has been achieved. The stereogenic centers were generated by the iterative use of proline catalyzed alpha-aminoxylations and HWE olefination of aldehydes while the lactone ring was constructed by ring closing metathesis. (C) 2011 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.09.017}, author = {Dwivedi, Namrata and Tripathi, Divya and Kumar, Pradeep} } @article { ISI:000286850000004, title = {Oxidative carbonylation of amine using water-soluble palladium catalysts in biphasic media}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {334}, number = {1-2}, year = {2011}, month = {JAN}, pages = {20-28}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Application of water-soluble palladium catalysts for oxidative carbonylation of aniline to N,N{\textquoteright} diphenyl urea (DPU) has been reported. The water-soluble palladium catalysts prepared from sulfonated N-containing ligands were found to be highly stable under reaction conditions and easily recyclable due to insoluble urea product in the reaction medium. This is in contrast to the sulfonated phosphine ligands, which are vulnerable to oxidation under reaction conditions, showing poor activity and stability. Commercially available as well as laboratory synthesized ligands were used for preparing water-soluble palladium catalysts, for oxidative carbonylation of aniline. The best activity was obtained for Pd complex with disodium 2,2{\textquoteright}-bipyridine-4,4{\textquoteright}-disulfonate (Bipy-DS) ligand. Under optimized conditions Pd(BipyDS)Pd(OAc)(2) catalyst gave TOF of similar to 210h(-1) with aniline conversion of similar to 97\% with similar to 91\% selectivity for N.N{\textquoteright}-diphenyl urea. It was found that the catalyst was easily reusable up to five times, with negligible loss in the catalytic activity. The effect of reaction parameters was investigated and a plausible reaction mechanism has been proposed. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Amine, Biphasic catalysis, Carbonylation, Urea, Water-soluble palladium catalyst}, issn = {1381-1169}, doi = {10.1016/j.molcata.2010.10.018}, author = {Didgikar, Mahesh R. and Joshi, Sunil S. and Gupte, Sunil P. and Diwakar, Makarand M. and Deshpande, Raj Madhukar and Chaudhari, Raghunath V.} } @article { ISI:000295000900025, title = {Oxidative dehydrogenation of ethylbenzene using nitrous oxide over vanadia-magnesia catalysts}, journal = {Catalysis Science \& Technology}, volume = {1}, number = {7}, year = {2011}, month = {AUG}, pages = {1262-1270}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A series of V-Mg-O catalysts with different loadings of vanadia were prepared by the wet impregnation method and the effect of the local structure of these catalysts on the oxidative dehydrogenation of ethylbenzene with N(2)O was investigated. High styrene selectivity (similar to 97\%) was obtained at 773 K. The characterization of catalysts with methods such as XRD, FTIR, UV-visible, TPR, NMR and Laser Raman spectroscopy suggested that magnesium orthovanadate is the predominant vanadium containing phase and the size of the orthovanadate domains increases with increasing vanadia loading. The rate of ODH of ethylbenzene per V atom increases with vanadia loading and reaches a maximum at 10 wt\%. The specific activity, i.e. the conversion of ethylbenzene per unit surface area of the catalysts, also exhibited a maximum at a vanadia loading of 10 wt\% leading to the conclusion that activity of these catalysts is due to the presence of very small domains of Mg(3)(VO(4))(2) on the surface of MgO rather than crystallites of bulk Mg(3)(VO(4))(2). The higher styrene yield in the presence of N(2)O can be ascribed to the ability of N(2)O to keep vanadium species at a higher oxidation state.
}, issn = {2044-4753}, doi = {10.1039/c1cy00168j}, author = {Shiju, N. Raveendran and Anilkumar, Mettu and Gokhale, S. P. and Rao, B. Seshagiri and Satyanarayana, C. V. V.} } @article { ISI:000292983400023, title = {[Pd]-mediated omega-alkynone cycloisomerization approach for the central tetrahydropyran unit and the synthesis of C(31)-C(48) fragment of aflastatin A}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {15}, year = {2011}, month = {APR}, pages = {5469-5475}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A concise assembly of the central tetrahydropyran unit of aflastatin A featuring a Pd-mediated alkynone cycloisomerization to provide a glycal and its subsequent stereoselective hydroboration to deliver the requisite stereochemistry at C(33) and C(34) centers is documented.
}, issn = {1477-0520}, doi = {10.1039/c1ob05251a}, author = {Narute, Sachin B. and Kiran, Neella Chandra and Ramana, Chepuri V.} } @article {42590, title = {Pentadecyl phenol- and cardanol-functionalized fluorescent, room- temperature liquid-crystalline perylene bisimides: effect of pendant chain unsaturation on self-assembly}, journal = {Chemistry - A European Journal}, volume = {17}, year = {2011}, month = {NOV}, pages = {12646{\textendash}12658}, abstract = {
A new perylene bisimide (PBI) building block based on pentadecyl phenol (PDP) or cardanol was developed, which upon esterification with 3,4,5-tridodecyloxy gallate resulted in highly emissive, room-temperature liquid-crystalline (LC) molecules. The self assembly in solution was studied in detail by NMR spectroscopy, UV/Vis absorption, and fluorescence spectroscopy. In solution both PDP- and cardanol-based PBI exhibited similar behavior. They were molecularly dissolved in chloroform (CHCl3) but formed rotationally displaced H-type aggregates that emitted at 640 nm in methylcyclohexane (MCH). Surface morphology in dropcast films were characterized using microscopic techniques such as SEM, TEM, and atomic force microscopy (AFM). The liquid-crystalline properties were studied using differential scanning calorimetry (DSC), polarized light microscopy (PLM), and variable-temperature X-ray (small-angle X-ray scattering (SAXS) and wide-angle X-ray diffraction (WXRD)) studies. Variable-temperature X-ray studies in the LC phase indicated strong π{\textendash}π stacking interaction present in the PDP-based PBI derivative, whereas the stacking was absent in the LC phase of the cardanol-based PBI. The latter formed self-organized structures of extremely short length due to the presence of cis double bonds in the C15 alkyl side chain, whereas the saturated alkyl side chain in PDP could pack efficiently, thereby resulting in nanofibers that were several micrometers in length.
}, doi = {10.1002/chem.201101011}, author = {Bhavsar, Ghanashyam A. and Asha, S. K.} } @article { ISI:000296821900021, title = {Perspectives for nano-biotechnology enabled protection and nutrition of plants}, journal = {Biotechnology Advances}, volume = {29}, number = {6}, year = {2011}, month = {NOV}, pages = {792-803}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Indiscriminate use of pesticides and fertilizers causes environmental pollution, emergence of agricultural pests and pathogens, and loss of biodiversity. Nanotechnology, by virtue of nanomaterial related properties, has potential agro-biotechnological applications for alleviation of these problems. The literature pertaining to the role of nanotechnology in plant and soil systems demonstrates that nanomaterials may assist in a) the controlled release of agrochemicals for nutrition and protection against pests and pathogens, b) delivery of genetic material, c) sensitive detection of plant disease and pollutants and d) protection and formation of soil structure. For instance, porous silica (15 nm) and biodegradable, polymeric chitosan (78 nm) nanoparticles displayed slow release of encapsulated pesticide and fertilizer, respectively. Further, nanosized gold (5-25 nm) delivered DNA to plant cells while iron oxide (30 nm) based nanosensors detected pesticides at minute levels. These functions assist the development of precision farming by minimizing pollution and maximizing the value of farming practice. (C) 2011 Elsevier Inc. All rights reserved.
}, keywords = {Biofertilizer, Biopesticides, Controlled delivery, Fertilizer, Genetic material, Nanomaterials, Nanosensors, Pathogen, Pesticides, Residues}, issn = {0734-9750}, doi = {10.1016/j.biotechadv.2011.06.007}, author = {Ghormade, Vandana and Deshpande, Mukund V. and Paknikar, Kishore M.} } @article { ISI:000293662800019, title = {Phase behavior of lipid-based lyotropic liquid crystals in presence of colloidal nanoparticles}, journal = {Langmuir}, volume = {27}, number = {16}, year = {2011}, month = {AUG}, pages = {9792-9800}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We have investigated the microstructure and phase behavior of monoglyceride-based lyotropic liquid crystals in the presence of hydrophilic silica colloidal particles of size comparable to or slightly exceeding the repeat units of the different liquid crystalline phases. Using small angle X-ray scattering (SAXS) and differential scanning calorimetry (DSC), we compare the structural properties of the neat mesophases with those of the systems containing silica colloidal particles. It is found that the colloidal particles always macrophase separate in inverse bicontinuous cubic phases of gyroid (Ia3d) and double diamond (Pn3m) symmetries. SAXS data for the inverse columnar hexagonal phase (H(II)) and lamellar phase (L(alpha)) suggest that a low volume fraction of the nanoparticles can be accommodated within the mesophases, but that at concentrations above a given threshold, the particles do macrophase separate also in these systems. The behavior is interpreted in terms of the enthalpic and entropic interactions of the nanoparticles with the lamellar and hexagonal phases, and we propose that, in the low concentration limit, the nanoparticles are acting as point defects within the mesophases and, upon further increase in concentration, initiate nucleation of nanoparticles dusters, leading to a macroscopic phase separation.
}, issn = {0743-7463}, doi = {10.1021/la201767p}, author = {Venugopal, Edakkal and Bhat, Suresh K. and Vallooran, Jijo J. and Mezzenga, Raffaele} } @article { ISI:000289028500081, title = {Phase separation of DMDBS from PP: effect of polymer molecular weight and tacticity}, journal = {Macromolecules}, volume = {44}, number = {7}, year = {2011}, month = {APR}, pages = {2358-2364}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report an unexpected dependence of DMDBS phase separation temperature on the molecular weight of the matrix isotactic polypropylene (iPP). DMDBS crystallizes out at lower temperatures for iPP with decreasing molecular weight (and correspondingly lower tacticity). All the iPPs in our study are reasonably high molecular weight samples and there is no molecular weight dependence of their solubility parameter. Therefore, the decrease in DMDBS phase separation temperature for lower molecular weights cannot be rationalized using thermodynamic arguments. This molecular weight dependence appears to be unique to isotactic polypropylene and is not observed for either syndiotactic polypropylene or for random copolymers of isotactic polypropylene containing ethylene comonomer.
}, issn = {0024-9297}, doi = {10.1021/ma200035s}, author = {Sreenivas, K. and Basargekar, Rajeev and Kumaraswamy, Guruswamy} } @article { ISI:000296195400018, title = {Phosphine-mediated synthesis of 1,4-oxazepine- and 1,5-oxazocine-based sugar hybrids from deoxysugar azides}, journal = {Synthesis-Stuttgart}, volume = {21}, number = {21}, year = {2011}, month = {NOV}, pages = {3523-3529}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
An efficient and convenient method was developed for the synthesis of novel 1,4-oxazepine- and 1,5-oxazocine-based sugar hybrids from readily available deoxysugar azides by means of tributylphosphine-mediated tandem reactions. The resulting glycoconjugates might be useful in increasing the diversity of sugar backbones, and could find applications as potential glycomimetics and in drug discovery.
}, keywords = {Alkynes, azides, carbohydrates, heterocycles, oxazepines, oxazocines, Tandem reactions}, issn = {0039-7881}, doi = {10.1055/s-0030-1260218}, author = {Kurhade, Suresh E. and Salunkhe, Videsh T. and Siddaiah, V. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article {42521, title = {Photoactive RuII-polypyridyl complexes that display sequence selectivity and high-affinity binding to duplex DNA through groove binding}, journal = {Chemistry A European Journal}, volume = {17}, year = {2011}, month = {FEB}, pages = {2089{\textendash}2098}, abstract = {
The duplex-DNA binding properties of a nonintercalating polypyridyl ruthenium(II) complex that incorporates a linear extended ligand with a catechol moiety has been probed with a variety of photo- and biophysical techniques. These studies reveal that the complex groove binds to DNA sequences biphasically, and displays binding constants equivalent to those of high-affinity metallointercalators. The complex also displays preferential binding to AT-rich sequences. Changes in the structure of the coordinated catechol ligand and the incorporation of intercalating ancillary ligands into the complex were found to modulate both the optical-binding response and binding parameters of the system, which indicates that the catechol moiety plays a crucial role in the observed enhancement to binding affinities.
}, doi = {10.1002/chem.201002149}, author = {Ghosh, Amrita and Das, Priyadip and Gill, Martin R. and Kar, Prasenjit and Walkar, Michael G. and Thomas, Jim A. and Das, Amitava} } @article {42719, title = {Photocatalytic splitting of CS2 to a carbon-sulfur polymer and S8 catalyzed by a bimetallic ruthenium(II) compound with a tertiary amine binding site - towards photocatalytic splitting of CO2?}, journal = {Inorganic Chemistry}, volume = {50}, year = {2011}, month = {OCT}, pages = {11273{\textendash}11275}, abstract = {
The catalytic photocleavage of CS2 to S8 and a (CxSy)n polymer with visible light using a dinuclear ruthenium(II) compound with a bipyridine units for photoactivity and a vicinal tertiary amine binding site for CS2 activation was studied. The catalyst was characterized by X-ray diffraction, 1H NMR, and 13C NMR, ESI-MS and elemental analysis. CS2 photocleavage was significant (240 turnovers, 20 h) to yield isolable S8 and a (CxSy)n polymer. A mononuclear catalyst or one without an amine binding site showed significantly less activity. XPS of the (CxSy)n polymer showed a carbon/sulfur ratio \~{}1.5{\textendash}1.6 indicating that in part both C{\textendash}S bonds of CS2 had been cleaved. Catalyst was also included within the polymer. The absence of peaks in the 1H NMR verified the (CxSy)n nature of the polymer, while 13C NMR and IR indicated that the polymer had multiple types of C{\textendash}S and C{\textendash}C bonds.
}, doi = {10.1021/ic2008045}, author = {Livanov, Konstantin and Madhu, Vedichi and Balaraman, Ekambaram and Shimon, Linda J. W. and Diskin-Posner, Yael and Neumann, Ronny} } @article { ISI:000288179600007, title = {Photoelectrochemical applications of In2Se3 thin films by chemical deposition}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {22}, number = {4}, year = {2011}, month = {APR}, pages = {359-364}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Indium selenide films have been synthesized by chemical bath deposition method onto stainless steel plate. The configuration of fabricated cell is n-In2Se3| NaOH(1 M) + S(1 M) + Na2S(1 M) |C-(graphite). Characterization of the photoelectrochemical cell was carried out by studying X-ray diffraction, current-voltage and capacitance-voltage characteristics in the dark, barrier height measurements, power output, photoresponse and spectral response. The study shows that the In2Se3 thin films are n-type semiconductor. The junction ideality factor was found to be 3.24. The flat band potential and the barrier height were found to be 0.720 V and 0.196 eV, respectively. From the study of power output characteristics, open circuit voltage, short circuit current, fill factor and efficiency were found to be 310 mV, 20 mu A, 37.64 and 0.61\%, respectively. Photoresponse studies show that the lighted ideality factor is 2.78. Maximum current was observed at 575 nm.
}, issn = {0957-4522}, doi = {10.1007/s10854-010-0142-7}, author = {Hankare, P. P. and Rathod, K. C. and Asabe, M. R. and Jadhav, A. V. and Helavi, V. B. and Chavan, Santosh S. and Garadkar, K. M. and Mulla, Imtiaz S.} } @article {42541, title = {Photophysical properties of ligand localized excited state in ruthenium(ii) polypyridyl complexes: a combined effect of electron donor-acceptor ligand}, journal = {Dalton Trans}, volume = {40}, year = {2011}, month = {AUG}, pages = {9765-9773}, abstract = {
We have synthesized ruthenium(II) polypyridyl complexes (1) Ru(II)(bpy)2(L1), (2) Ru(II)(bpy)2(L2) and (3) Ru(II)(bpy)(L1)(L2), where bpy = 2,2'-bipyridyl, L1 = 4-[2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl]benzene-1,2-diol) and L2 = 4-(N,N-dimethylamino-phenyl)-(2,2'-bipyridine) and investigated the intra-ligand charge transfer (ILCT) and ligand{\textendash}ligand charge transfer (LLCT) states by optical absorption and emission studies. Our studies show that the presence of electron donating {\textendash}NMe2 functionality in L2 and electron withdrawing catechol fragment in L1 ligands of complex 3 introduces low energy LLCT excited states to aboriginal MLCT states. The superimposed LLCT and MLCT state produces redshift and broadening in the optical absorption spectra of complex 3 in comparison to complexes 1 and 2. The emission quantum yield of complex 3 is observed to be extremely low in comparison to that of complex 1 and 2 at room temperature. This is attributed to quenching of the 3MLCT state by the low-emissive 3LLCT state. The emission due to ligand localized CT state (ILCT and LLCT) of complexes 2 and 3 is revealed at 77 K in the form of a new luminescence band which appeared in the 670{\textendash}760 nm region. The LLCT excited state of complex 3 is populated either via direct photoexcitation in the LLCT absorption band (350{\textendash}700 nm) or through internal conversion from the photoexcited 3MLCT (400{\textendash}600 nm) states. The internal conversion rate is determined by quenching of the 3MLCT state in a time resolved emission study. The internal conversion to LLCT and ILCT excited states are observed to be as fast as \~{}200 ps and \~{}700 ps for complexes 3 and 2, respectively. The present study illustrates the photophysical property of the ligand localized excited state of newly synthesized heteroleptic ruthenium(II) polypyridyl complexes.
}, doi = {10.1039/C1DT10266D}, author = {Verma, Sandeep and Kar, Prasenjit and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000287374800008, title = {Phytochemical investigation of artemisia pallens}, journal = {Helvetica Chimica Acta}, volume = {94}, number = {1}, year = {2011}, month = {JAN}, pages = {73-77}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Two new eudesmanolides, pallensin (1) and 4-epipallensin (2), along with a known eudesmanolide, santonin, and a known flavone, 4-epivalgarin, have been isolated from the aerial part of A. pallens. Their structures were established by detailed spectral studies (1D and 2D) and by comparison of their spectroscopic data with those of known compounds.
}, issn = {0018-019X}, doi = {10.1002/hlca.201000125}, author = {Ruikar, Anjali D. and Jadhav, Ravindra B. and Phalgune, Usha D. and Rojatkar, Supada R. and Puranik, Vedavati G. and Deshpande, Nirmala R.} } @article { ISI:000286055700020, title = {PNAs grafted with (alpha/gamma, R/S)-aminomethylene pendants: Regio and stereo specific effects on DNA binding and improved cell uptake}, journal = {Chemical Communications}, volume = {47}, number = {4}, year = {2011}, month = {JAN}, pages = {1198-1200}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
PNAs grafted with cationic aminomethylene (am) pendants on the backbone at the glycyl (alpha) or ethylenediamine (gamma) segments show regio (alpha/gamma) and stereochemistry (R/S) dependent binding with complementary DNA. These are efficiently taken up by cells, with gamma(S-am) aeg-PNA being the best in all properties.
}, issn = {1359-7345}, doi = {10.1039/c0cc03988h}, author = {Mitra, Roopa and Ganesh, Krishna N.} } @article { ISI:000298535800007, title = {Poly(acrylonitrile) based ultrafiltration membranes: optimization of preparation parameters}, journal = {Desalination}, volume = {282}, number = {SI}, year = {2011}, month = {NOV}, pages = {46-53}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Supported ultrafiltration (UF) membranes based on poly(acrylonitrile) were prepared while varying crucial parameters responsible for controlling membrane porosity, viz.; polymer concentration, solvent and additives in the dope solution. Insight into membrane porosity and morphology was obtained by water flux, solute rejection, bubble point, pore size distribution, SEM and AFM analyses. It was found that merely increasing polymer concentration does not necessarily reduce pore size of membranes. Among four solvents used for the dope solution preparation, N-methyl pyrrolidone was found to offer membranes with optimal combination of flux and rejection of various solutes. Some of the PAN(17) (17\% w/w PAN concentration in the dope solution) membranes prepared using organic acid as the additive (citric acid, tartaric acid or maleic acid) offered 1.2-1.7 times higher flux than the membrane prepared using inorganic salt, ZnCl2 as an additive. The porosity of PAN(17) membrane prepared using CA as an additive was larger as compared to membrane prepared using ZnCl2 as an additive. Atomic force microscopy (AFM) analysis of this membrane exhibited higher surface roughness as compared to the ZnCl2 based membrane. Both these membranes exhibited bacteria (E. Coli) log reduction value (LRV) of at least 6; depicting applicability of these membrane for water disinfection. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Additive, Bacteria rejection, Poly(acrylonitrile), Pore size distribution, Ultrafiltration}, issn = {0011-9164}, doi = {10.1016/j.desal.2011.04.009}, author = {Lohokare, Harshada R. and Bhole, Yogesh S. and Taralkar, Suyog and Kharul, Ulhas K.} } @article { ISI:000291605900010, title = {Polyamides containing quinoxaline moiety}, journal = {Journal of Polymer Research}, volume = {18}, number = {4}, year = {2011}, month = {JUL}, pages = {549-557}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A new quinoxaline moiety containing aromatic diamine; 2,3-bis[4-(4-aminophenoxy)phenyl]quinoxaline (APQ) was synthesized starting from 4-methoxybenzaldehyde and was characterized by IR, (1)H, (13)C NMR and Mass spectrometry. Five new polyamides were synthesized by polycondensation of various aliphatic diacid / aromatic diacids namely, azelaic acid, bis(4-carboxyphenyl)dimethylsilane, 4,4{\textquoteright}-oxybis(benzoicacid), isophthalic acid and terephthalic acid with APQ by Yamazaki{\textquoteright}s phosphorylation method using triphenyl phosphite as condensing agent. The polyamides were characterized by IR spectroscopy, solubility tests, inherent viscosity, X-ray diffraction technique, differential scanning colorimetry and thermogravimetric analysis. The polyamides had inherent viscosities in the range 0.39-0.45 dL/g in N, N-dimethylacetamide at 30 +/- 0.1 A degrees C. The polyamides were soluble in polar aprotic solvents such as N, N-dimethylacetamide, N, N-dimethylformamide, dimethylsulfoxide, N-methylpyrrolidone. X-Ray diffraction studies showed that polyamides were amorphous in nature. The polyamides showed glass transition temperatures in the range 104-205 A degrees C, according to differential scanning calorimetry. Thermogravimetric analysis exhibited initial decomposition temperatures above 348 A degrees C; indicating that these polyamides possessed excellent thermal stability.
}, keywords = {polyamides, Quinoxaline, solubility, Thermal properties, XRD}, issn = {1022-9760}, doi = {10.1007/s10965-010-9448-7}, author = {Patil, Vidyadhar B. and Sayyed, Maheboob M. and Mahanwar, Prakash A. and Wadgaonkar, Prakash P. and Maldar, Noormahamad N.} } @article { ISI:000291832800003, title = {Polyaniline modified electrodes for detection of dyes}, journal = {Synthetic Metals}, volume = {161}, number = {9-10}, year = {2011}, month = {MAY}, pages = {659-664}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Polyaniline (PANI) is one of the most extensively used conjugated polymers in the design of electrochemical sensors. In this study, we report electrochemical dye detection based on PANI for the adsorption of both anionic and cationic dyes from solution. The inherent property of PANI to adsorb dyes has been explored for the development of electrochemical detection of dye in solution. The PANI film was grown on electrode via electrochemical polymerization. The as grown PANI film could easily adsorb the dye in the electrolyte solution and form an insulating layer on the PANI coated electrode. As a result, the current intensity of the PANI film was significantly altered. Furthermore, PANI coated stainless steel (SS) electrodes show a change in the current intensity of Fe(2+)/Fe(3+) redox peaks due to the addition of dye in electrolyte solution. PANI films coated on both Pt electrodes and non-expensive SS electrodes showed the concentration of dye adsorbed is directly proportional to the current intensity or potential shift and thus can be used for the quantitative detection of textile dyes at very low concentrations. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Electrochemical sensor, Emeraldine base, Emeraldine salt, polyaniline}, issn = {0379-6779}, doi = {10.1016/j.synthmet.2011.01.005}, author = {Mahanta, Debajyoti and Munichandraiah, N. and Radhakrishnan, S. and Madras, Giridhar and Patil, Satish} } @article { ISI:000287058200053, title = {Polybenzimidazoles based on 3,3 {\textquoteleft}-diaminobenzidine and aliphatic dicarboxylic acids: synthesis and evaluation of physicochemical properties toward their applicability as proton exchange and gas separation membrane material}, journal = {Journal of Applied Polymer Science}, volume = {120}, number = {2}, year = {2011}, month = {APR}, pages = {1090-1099}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A series of aromatic-aliphatic polybenzimidazoles (PBIs) based on 3,3{\textquoteright}-diaminobenzidine (DAB) and aliphatic dicarboxylic acid with incremental -CH2- groups were synthesized. Optimization of synthesis parameters and evaluation of physicochemical properties are requisite for PBI applicability as the proton exchange membrane (PEM) and gas separation membrane materials are reported. It was found that though all these PBIs exhibited high thermal, mechanical, and oxidative stability, effect of added flexibility on physical properties is not monotonous. Membranes were prepared by solution casting as well as phase-inversion method. The later types of membranes exhibited much higher H3PO4 content than its doping achieved in the solution casted membranes. These PBIs possess low hydrogen and helium permeability than that of conventional PBI. This low permeability, along with their excellent oxidative stability indicated that they can be promising PEM materials. Their CO2-sorption analysis revealed that PBI6 based on suberic acid possesses appreciable CO2 sorption. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 120: 1090-1099, 2011
}, keywords = {Gas permeation, mechanical properties, membranes, oxidative stability, polybenzimidazoles}, issn = {0021-8995}, doi = {10.1002/app.33246}, author = {Bhavsar, Rupesh S. and Nahire, Sandip B. and Kale, Mrunali S. and Patil, Shubhangi G. and Aher, Pradnya P. and Bhavsar, Ritesh A. and Kharul, Ulhas K.} } @article { ISI:000293849200017, title = {Poly(ether ether ketone)s and poly(ether ether ketone ketone)s containing cardo decahydronaphthalene groups: synthesis and characterization}, journal = {Journal of Applied Polymer Science}, volume = {122}, number = {3}, year = {2011}, month = {NOV}, pages = {1607-1613}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
New poly(ether ether ketone)s and poly (ether ether ketone ketone) s were synthesized by polycondensation of each of the three bisphenols, viz., 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene) bisphenol, 4,4{\textquoteright}-(octa-hydro-2(1H)-naphthylidene) bis-3-methylphenol, and 4,4{\textquoteright}(octahydro-2(1H)-naphthylidene) bis-3,5-dimethylphenol with 4,4{\textquoteright}-difluorobenzophenone and 1,3-bis(4-fluorobenzoyl) benzene in a mixture of N,N-dimethylacetamide and toluene [1 : 1 (v/v)] in the presence of anhydrous potassium carbonate. Inherent viscosities of poly(ether ether ketone) s and poly (ether ether ketone ketone) s were in the range 0.32-0.80 dL/g and number-average molecular weights were in the range 16,100-55,900 g/mol. Poly(ether ether ketone) s and poly(ether ether ketone ketone) s were soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, meta-cresol, pyridine, and 1-methyl-2-pyrrolidinone at room temperature and could be cast into tough, transparent, and flexible films from their chloroform solutions. Wide angle x-ray diffraction measurements revealed the amorphous nature of poly(ether ether ketone) s and poly (ether ether ketone ketone) s. The glass transition temperature poly(ether ether ketone) s and poly(ether ether ketone ketone) s were in the range 185-251 degrees C. The temperature at 10\% weight loss, determined from thermogravimetric analysis, of poly(ether ether ketone) s and poly(ether ether ketone ketone) s in nitrogen atmosphere was in the range 462-493 degrees C indicating their good thermal stability. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 122: 1607-1613, 2011
}, keywords = {bisphenol, cardo decahydronaphthalene, poly(ether ether ketone ketone)s, poly(ether ether ketone)s, Polycondensation, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.33921}, author = {Honkhambe, Pandurang N. and Pasale, Sharad K. and Bhairamadgi, Nagendra S. and Kumbhar, Kishor P. and Salunkhe, Manikrao M. and Wadgaonkar, Prakash P.} } @article { ISI:000291393900002, title = {Polymerization of ethylene to branched poly(ethylene)s using ansa-eta(5)-monofluorenyl cyclohexanolato zirconium(IV) complex/methylaluminoxane}, journal = {Polymer Bulletin}, volume = {67}, number = {3}, year = {2011}, month = {JUL}, pages = {383-399}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
ansa-eta(5)-Monofluorenyl cyclohexanolato zirconium complex 3 was shown to be active for the polymerization of ethylene when activated with methylaluminoxane (MAO) at 5 bar. Up to a polymerization temperature of 40 A degrees C, 3/MAO resulted in linear poly(ethylene)s with saturated chain ends. However, at polymerization temperatures of 60, 80, and 100 A degrees C, a mixture of branched poly(ethylene)s, linear alpha-olefins and long chain alkanes was obtained. The poly(ethylene)s produced at 80 and 100 A degrees C exhibited a bimodal molecular weight distribution indicative of multiple active species. Very high molecular weight (M (v) \> 5 x 10(5)) linear poly(ethylene)s were obtained using 3/MAO at 25 A degrees C.
}, keywords = {ansa-Monofluorenyl complex, Bimodal MWD, Branched poly(ethylene)s, Ethylene polymerization, Methyl aluminoxane}, issn = {0170-0839}, doi = {10.1007/s00289-010-0387-6}, author = {Rajesh, A. and Sivaram, S.} } @article { ISI:000295403700018, title = {Polymerization of ethylene using amido functional half-sandwich complexes of group 4 metals}, journal = {Polymer Engineering and Science}, volume = {51}, number = {10, SI}, year = {2011}, month = {OCT}, pages = {2103-2108}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Ligands (C(13)H(9))(2,6-R(2)C(6)H(3)NH)SiPh(2) [R = (i)Pr (2a), Me (2b)] were synthesized by single deprotonation of the amino group in 2,6-dialkylanilines with n-BuLi at -78 degrees C followed by reaction with fluorenyl diphenyl silyl chloride [FluSi(Ph(2))Cl]. Single crystal X-ray diffraction studies revealed different geometries around the nitrogen atom for the two compounds. Titanium and zirconium complexes (3a-3d) were prepared by double deprotonation of the ligands with n-butyl lithium (n-BuLi) followed by reaction with the respective metal chlorides, MCl(4) (THF)(2). Polymerization of ethylene was performed using these complexes as catalyst precursors along with methylaluminoxane (MAO) as an activator at 5 bar pressure. Complexes 3a-3d/MAO exhibited moderate catalyst activities for polymerization of ethylene and resulted in high molecular weight linear poly(ethylene)s (M(v) \> 4 3 10(5) g/mol). Catalyst activities were much lower when compared to similar N-alkyl substituted complexes presumably due to the resonance effect of the aromatic group on the amido nitrogen. POLYM. ENG. SCI., 51:2103-2108, 2011. (C) 2011 Society of Plastics Engineers
}, issn = {0032-3888}, doi = {10.1002/pen.22132}, author = {Rajesh, A. and Sivaram, S.} } @article { ISI:000287092000035, title = {Porosity driven photocatalytic activity of wormhole mesoporous TiO2-xNx in direct sunlight}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {8}, year = {2011}, month = {JAN}, pages = {2639-2647}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Results obtained by combining four important factors simultaneously, namely, wormhole mesoporosity with low diffusion length for charge carriers, high surface area, nanoparticles with high crystallinity, and visible light absorption due to N-doping, in titania (meso-TiO2-xNx) are reported. Meso-TiO2-xNx materials have been prepared by a combustion method within 10 min and by varying urea : Ti(NO3)(4) between 1 (UT1) and 10 (UT10). All of the prepared materials have been thoroughly characterised. Nanocrystalline anatase phase with high surface area (234 m(2) g(-1)), and type-IV H-3-mesoporosity is observed with UT10. Photocatalytic rhodamine-B degradation was employed to screen for the activity of the materials, and p-anisyl alcohol oxidation to p-anisaldehyde was carried out successfully in aqueous solution under direct sunlight. High photocatalytic activity of UT10 in direct sunlight, in spite of high band gap (3.24 eV), is attributed to the better utilization of holes due to the low charge diffusion barrier associated with wormhole mesoporosity along with highly crystalline, however, nanoparticulate TiO2-xNx.
}, issn = {0959-9428}, doi = {10.1039/c0jm03825c}, author = {Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S.} } @article { ISI:000297609100003, title = {Porous nitrogen rich cadmium-tetrazolate based metal organic framework (MOF) for H-2 and CO2 uptake}, journal = {Crystal Growth \& Design}, volume = {11}, number = {12}, year = {2011}, month = {DEC}, pages = {5176-5181}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The highly porous nitrogen rich metal organic framework [Cd-3(4-TP)(6)] (Cd-4TP-1) was synthesized solvothermally from the predesigned organic building block 4-tetrazole pyridine (4-TP) and Cd(II) as metal center using DMF as solvent. Cd-4TP-1 has a three-dimensional porous architecture where all the binding sites of Cd(II) are exclusively occupied by the nitrogen atoms from the mu(2)-tetrazolyl group or the pyridyl functionality of the 4-TP ligands. Cd-4TP-1 has Brunauer-Emmett-Teller (BET) and Langmuir surface areas of 472.2 and 728.6 m(2)/g, respectively, and shows 1.1 wt \% H-2 (77 K) and 2.7 mmol/g CO2 uptake (273 K).
}, issn = {1528-7483}, doi = {10.1021/cg201054f}, author = {Pachfule, Pradip and Banerjee, Rahul} } @article { ISI:000296172800062, title = {Possible deNO(x) management under net oxidizing conditions: a molecular beam study of (NO)-N-15+CO+O-2 reaction on Pd(111) surfaces}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {43}, year = {2011}, month = {NOV}, pages = {21299-21310}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Isothermal kinetic measurements of (NO)-N-15 reduction with CO on Pd(111) surfaces were carried out under net-oxidizing conditions with (NO)-N-15 + CO + O-2, using a molecular beam instrument (MBI). Transient state (TS) and steady state (SS) kinetic details of the above reaction were obtained for a wide range of temperature and beam compositions, especially with O-2-rich compositions. Increasing O-2 content, generally, suppresses (NO)-N-15 reduction in the SS; nonetheless, irrespective of O-2 content, N-15(2) was produced in TS, and to a significant extent under SS conditions too. Sustainable N-2 production between 450 and 600 K and with low to moderate amount of oxygen was observed, and the extent of NO decomposition was also quantified. The ratio of N-15(2): (N2O)-N-15 was generally found to be around 8:1 under most of the reaction conditions. Maxima in the SS reaction rates of all products were observed between 500 and 600 K. Compared to other elementary reaction steps, a slow decay observed with N + N -\> N-2 step under SS beam oscillation conditions demonstrates its contribution to the rate limiting nature of the overall reaction. Fast beam switching experiments have been performed alternately between O-2-lean and -rich conditions, thus highlighting the effectiveness of (NO)-N-15 reduction in TS, irrespective of the beam composition. Possibly in a future technology initiative, this aspect could be exploited to manage more (NO)-N-15 reduction on Pd-based catalysts.
}, issn = {1932-7447}, doi = {10.1021/jp207092s}, author = {Nagarajan, Sankaranarayanan and Thirunavukkarasu, Kandasamy and Gopinath, Chinnakonda S.} } @article { ISI:000297352000112, title = {Preparation and characterization of magnetic nanoparticles embedded in hydrogels for protein purification and metal extraction}, journal = {Journal of Polymer Research}, volume = {18}, number = {6}, year = {2011}, note = {International Conference on Advances in Polymer Technology, Cochin Univ Sci \& Technol, Cochin, INDIA, FEB 26-27, 2010}, month = {NOV}, pages = {2285-2294}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The present work involves the development of hydrogel magnetic nanocomposites for protein purification and heavy metal extraction applications. The magnetic nanoparticles (MNPs) were prepared in situ in poly(acrylamide)-gum acacia (PAM-GA) hydrogels. The formation of magnetic nanoparticles in the hydrogel networks was confirmed by Fourier transform infrared (FTIR) spectroscopy and X-ray diffraction (XRD). Scanning electron (SEM) microscopy studies revealed the formation of MNPs throughout the hydrogel networks. The average size of MNPs formed in the hydrogel networks was 3-5 nm as determined by transmission electron microscopy (TEM). The thermal properties of the hydrogel magnetic nanocomposites were evaluated by dynamic scanning calorimetry (DSC) and thermogravimetric (TG) analysis. The magnetic properties of the developed hydrogel magnetic nanocomposites were determined by a vibrating sample magnetometer (VSM). The swelling properties of the hydrogel and the hydrogel magnetic nanocomposites were studied in detail. The hydrogel magnetic nanocomposites are utilized for the removal of toxic metal ions such as Co(II), Ni(II), and Cu(II) and for protein purification. The results confirm that the hydrogel magnetic nanocomposites exhibit superior extraction properties to hydrogels.
}, keywords = {Bioseparation, Hydrogel, magnetic properties, Metal absorption, Nanocomposite}, issn = {1022-9760}, doi = {10.1007/s10965-011-9642-2}, author = {Nagireddy, Narayana Reddy and Yallapu, Murali Mohan and Kokkarachedu, Varaprasad and Sakey, Ravindra and Kanikireddy, Vimala and Alias, Joy Pattayil and Konduru, Mohana Raju} } @article { ISI:000288386600095, title = {Probing the furanose conformation in the 2 {\textquoteleft}-5 {\textquoteleft} strand of isoDNA:RNA duplexes by freezing the nucleoside conformations}, journal = {Chemical Communications}, volume = {47}, number = {13}, year = {2011}, month = {FEB}, pages = {4007-4009}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Sugar conformations in the isoDNA strand of isoDNA : RNA duplexes are preferred S-type locked/frozen in contrast to N-type locked conformations preferred in DNA: RNA duplexes.
}, issn = {1359-7345}, doi = {10.1039/c0cc05402j}, author = {Erande, Namrata D. and Gunjal, Anita D. and Fernandes, Moneesha and Kumar, Vaijayanti A.} } @article { ISI:000294122000044, title = {Propargyl/methyl furanosides as potential glycosyl donors}, journal = {Chemical Communications}, volume = {47}, number = {35}, year = {2011}, month = {AUG}, pages = {9906-9908}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Transfuranosylations are not well studied though many similar studies exist for transpyranosylation; herein, we report that propargyl/methyl D-ribf- and D-lyxf- give only 1,2-trans glycosides whereas D-araf- and D-xylf- result in a mixture of 1,2-trans and 1,2-cis glycosides; observed facts are rationalised by computational studies.
}, issn = {1359-7345}, doi = {10.1039/c1cc13134f}, author = {Vidadala, Srinivasa Rao and Gayatri, Gaddamannugu and Sastry, G. Narahari and Hotha, Srinivas} } @article { ISI:000292472400016, title = {Protecting group directed stereoselective reduction of an epi-inosose: efficient synthesis of epi-inositol}, journal = {Tetrahedron Letters}, volume = {52}, number = {29}, year = {2011}, month = {JUL}, pages = {3756-3758}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A facile and high yielding synthesis of epi-inositol via stereoselective reduction of a pentaprotected epi-inosose is reported. Extent of stereoselectivity during the hydride reduction appears to depend on the ability of the substrate to complex with metal ions in the reducing agent. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Cyclitol, Inositol, Polyol, reduction, Stereoselective}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.05.051}, author = {Patil, Madhuri T. and Krishnaswamy, Shobhana and Sarmah, Manash P. and Shashidhar, Mysore S.} } @article { ISI:000295128000013, title = {Protic ionic liquid attenuates the deleterious actions of urea on alpha-chymotrypsin}, journal = {Physical Chemistry Chemical Physics}, volume = {13}, number = {38}, year = {2011}, month = {SEP}, pages = {17023-17026}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We present a biocompatible ionic liquid, triethyl ammonium acetate (TEAA), that attenuates the denaturation action of a non-ionic chaotrope, urea, on the industrially relevant proteolytic enzyme alpha-chymotrypsin.
}, issn = {1463-9076}, doi = {10.1039/c1cp22195g}, author = {Attri, Pankaj and Venkatesu, Pannuru and Kumar, Anil and Byrne, Nolene} } @article { ISI:000287274000022, title = {Purification and characterization of an alkaline protease by a new strain of Beauveria sp}, journal = {Process Biochemistry}, volume = {46}, number = {2}, year = {2011}, month = {FEB}, pages = {579-585}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A fungal culture isolated from animal dung was identified as a new strain of Beauveria sp MTCC 5184 based on 18S rDNA and ITS nucleotide sequence homology. The fungal isolate secretes alkaline protease active at pH 9 and 50 degrees C. The alkaline protease from Beauveria sp (BAP) was purified to homogeneity with 10.2-folds increase in specific activity and 38.6\% recovery. The molecular mass and isoelectric point of the protease were found to be 29 kDa and 9.3, respectively. The N-terminal sequence of the BAP showed only partial homology with subtilisin like proteases from other fungi. The enzyme was stable up to 40 degrees C and pH 3-11. The protease was inhibited by Cd(2+), Hg(2+) and Mn(2+). The activity was totally lost in the presence of 1 mM PMSF suggesting it to be a serine protease. The protease showed maximum activity with casein followed by haemoglobin and BSA. The purified protease is able to separate the endothelial cells and can be used in animal cell culture. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Alkaline Protease, Animal cell culture, Beauveria sp, Sequence homology}, issn = {1359-5113}, doi = {10.1016/j.procbio.2010.10.013}, author = {Shankar, Shiv and Rao, Mala and Laxman, Ryali Seeta} } @article { ISI:000294345100006, title = {Purification and characterization of bacterial aryl alcohol oxidase from sphingobacterium sp ATM and Its uses in textile dye decolorization}, journal = {Biotechnology and Bioprocess Engineering}, volume = {16}, number = {4}, year = {2011}, month = {AUG}, pages = {661-668}, publisher = {KOREAN SOC BIOTECHNOLOGY \& BIOENGINEERING}, address = {KOREAN SCIENCE TECHNOLOGY CENTER, \#704 YEOGSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA}, abstract = {
Aryl alcohol oxidase (AAO) produced by dye decolorizing bacteria Sphingobacterium sp. ATM, was purified 22.63 fold to a specific activity of 21.75 mu mol/min/mg protein using anion exchange and size exclusion chromatography. The molecular weight of the purified AAO was found to be 71 kDa using sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE), and confirmed by zymography of AAO using L-dopa. The enzyme showed substrate specificity towards veratryl alcohol, followed by n-propanol. The optimum pH and temperature of purified AAO were found to be 3.0 and 40 degrees C, respectively. The K(m) and V(max) of AAO was 1.1615 mM and 3.13 mM/min when veratryl alcohol was used as substrate. Sodium azide showed maximum inhibition while ethylenediamine tetra acetic acid (EDTA), L-cysteine and dithiothreitol showed slight inhibition. Metal ions also showed slight inhibition. HPLC analysis confirmed the degradation of Direct Red 5B. The metabolite obtained after decolorization of Direct Red 5B was characterized as 3 diazenyl 7 [-(phenyl carbonyl) amino] naphthalene-2-sulfonic acid using GC-MS analysis.
}, keywords = {aryl alcohol oxidase, Direct Red 5B, dye decolorization, ion exchange chromatography, Sphingobacterium sp ATM}, issn = {1226-8372}, doi = {10.1007/s12257-011-0031-9}, author = {Tamboli, Dhawal P. and Telke, Amar A. and Dawkar, Vishal V. and Jadhav, Shekhar B. and Govindwar, Sanjay P.} } @article { ISI:000297741100014, title = {Purification, crystallization and preliminary X-ray characterization of a haemagglutinin from the seeds of Jatropha curcas}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {67}, number = {12}, year = {2011}, month = {DEC}, pages = {1534-1536}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
The plant Jatropha curcas (Euphorbiaceae) is an important source of biofuel from the inedible oil present in its toxic seeds. The toxicity arises from the presence of curcin, a ribosome-inactivating protein showing haemagglutination activity. In this communication, the purification, crystallization and preliminary X-ray characterization are reported of a small protein isolated from J. curcas seeds with a molecular mass of 10 kDa that agglutinates rabbit erythrocytes. The protein was crystallized using the hanging-drop vapour-diffusion method and also by the microbatch method in 72-well HLA plates, using PEG 8000 as the precipitant in both conditions. X-ray diffraction data collected from the rod-shaped crystals were processed in the orthorhombic space group P212121. The crystals diffracted to 2.8 angstrom resolution at 103 K.
}, keywords = {haemagglutinins, Jatropha curcas}, issn = {1744-3091}, doi = {10.1107/S1744309111038218}, author = {Nair, Divya N. and Suresh, C. G. and Singh, Desh Deepak} } @article { ISI:000291216800020, title = {Purification, crystallization and X-ray characterization of a Kunitz-type trypsin inhibitor protein from the seeds of chickpea (Cicer arietinum)}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {67}, number = {6}, year = {2011}, month = {JUN}, pages = {714-717}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
{A Kunitz-type trypsin inhibitor protein (CPTI) purified from chickpea seeds was estimated to have a molecular mass of 18 kDa on SDS-PAGE. The IC50 value of CPTI was determined to be 2.5 mu g against trypsin. The inhibitory activity of CPTI is 114 TIU (trypsin inhibitory units) per milligram of protein, which is high compared with those of other known Kunitz-type trypsin inhibitors from legumes. CPTI crystallized in three different orthorhombic crystal forms: P2(1)2(1)2 form A, P2(1)2(1)2 form B and P2(1)2(1)2(1). The crystals of P2(1)2(1)2 form angstrom, with unit-cell parameters a = 37.2
}, issn = {1744-3091}, doi = {10.1107/S1744309111015338}, author = {Sharma, Urvashi and Suresh, C. G.} } @article { ISI:000287277700038, title = {Quantum dot based immunosensor using 3D circular microchannels fabricated in PDMS}, journal = {Biosensors \& Bioelectronics}, volume = {26}, number = {6}, year = {2011}, month = {FEB}, pages = {3050-3053}, publisher = {ELSEVIER ADVANCED TECHNOLOGY}, type = {Article}, address = {OXFORD FULFILLMENT CENTRE THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Microchannel is basic functional component of microfluidic chip and every step-forward of its construction technique has been receiving concern all over the world. The present work describes a novel, rapid and simple fabrication technique for building 3D microchannels in poly(dimethyl siloxane) (PDMS) elastomer. These microchannels were used for rapid detection of antigens (E. coli) by quantum dot (QD) based approach. Luminescent QD (CdTe) were synthesized by aqueous method and characterized using high resolution transmission electron microscopy (HRTEM), fluorescence spectroscopy and X-ray diffraction (XRD). The QDs were functionalized with anti-E. coli antibodies for immuno-detection. The reported process allowed easier and faster method of fabrication of circular 3D micochannels and demonstrated their potential use in an immuno-biosensor device. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Capillary driven flows, Circular microfluidics, Immunosensor, QDs}, issn = {0956-5663}, doi = {10.1016/j.bios.2010.12.017}, author = {Morarka, Amit and Agrawal, Shailaja and Kale, Sonia and Kale, Anup and Ogale, Satishchandra B. and Paknikar, Kishore and Bodas, Dhananjay S.} } @article {42536, title = {Receptor design and extraction of inorganic fluoride ion from aqueous medium}, journal = {Chemical Communications}, volume = {47}, year = {2011}, month = {MAY}, pages = {7398-7400}, abstract = {
A receptor with acidic methylene hydrogens is found to act as an efficient binding mode for F-. This reagent could as well be used for selective and quantitative extraction of F- from the aqueous solution of NaF and sea water.
}, doi = {10.1039/C1CC11458A}, author = {Das, Priyadip and Mandal, Amal Kumar and Kesharwani, Manoj K. and Suresh, Eringathodi and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000295856200011, title = {Recurrent somatic embryogenesis and plant regeneration in Angelica glauca Edgew., a critically endangered medicinal plant of the Western Himalaya}, journal = {Journal of Horticultural Science \& Biotechnology}, volume = {86}, number = {5}, year = {2011}, month = {SEP}, pages = {493-498}, publisher = {HEADLEY BROTHERS LTD}, address = {INVICTA PRESS, ASHFORD TN24 8HH, KENT, ENGLAND}, abstract = {
Secondary somatic embryogenesis and plant regeneration from seedling explants of Angelica glauca, an endangered medicinal plant of the Himalaya, is reported for the first time. Callus was obtained from all the explants tested in the present study (i.e., epicotyls, hypocotyls, and cotyledonary nodes). The highest frequency of callus formation (95.8\%) was observed using epicotyl explants on 4.0 mu M 2,4-dichlorophenoxyacetic acid (2,4-D), whereas 70.8\% of hypocotyl explants, and 58.3\% of cotyledonary nodes produced callus. One-hundred percent embryogenic callus was induced from epicotyl explants in 2.0 mu M 6-benzyladenine (BA) and 2.0 mu M alpha-naphthaleneacetic acid (NAA), together with the maximum number of somatic embryos (34.2 embryos per explant). Cotyledonary nodes did not produce somatic embryos. Histological studies confirmed the induction of somatic embryogenesis. Somatic embryos germinated into plantlets upon transfer to half-strength Murashige and Skoog (MS) medium without added plant growth regulators. We observed 85\% survival of these plantlets under field conditions. The development of secondary embryos was also observed when primary embryos were sub-cultured on full-strength MS medium containing 2.0 mu M NAA plus 2.0 mu M BA. This system of recurrent somatic embryogenesis provides a route for gene transfer and also for the large-scale production of this critically endangered medicinal plant.
}, issn = {1462-0316}, author = {Pandey, Meena and Dhar, Uppeandra and Samant, Sher Singh and Shirgurkar, Mrudul Vijay and Thengane, Shubhada Ratnakar} } @article { ISI:000294263900019, title = {Regio- and stereoselective selenium dioxide allylic oxidation of (E)-dialkyl alkylidenesuccinates to (Z)-allylic alcohols: synthesis of natural and unnatural butenolides}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {18}, year = {2011}, month = {JUN}, pages = {6312-6322}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The first SeO(2) induced (Z)-selective allylic alcohol formation of dialkyl alkylidenesuccinates has been demonstrated to accomplish one-step syntheses of several essential butenolides and fused butenolides via an unusual E- to Z- carbon-carbon double bond isomerisation followed by the lactonization pathway. The observed regio- and stereoselective SeO(2) allylic oxidation protocol has also been extended to the diastereoselective total synthesis of bioactive natural product isomintlactone, its direct conversion to mintlactone and an example of the base-catalyzed intramolecular rearrangement of gamma-lactone to delta-lactone.
}, issn = {1477-0520}, doi = {10.1039/c1ob05709j}, author = {Patel, Ramesh M. and Puranik, Vedavati G. and N. P. Argade} } @article { ISI:000290787100020, title = {Regioselective monoalkylation of dimethyl alkylidenesuccinates: simple approach to dialkyl-substituted maleic anhydrides including chaetomellic acid A}, journal = {Synthesis-Stuttgart}, number = {11}, year = {2011}, month = {JUN}, pages = {1804-1808}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Natural and nonnatural dialkylmaleic anhydrides were readily prepared from dimethyl alkylidenesuccinates by sodium hexamethyldisilazide-induced selective monoalkylation followed by base-catalyzed hydrolysis.
}, keywords = {alkylations, Esters, furans, heterocycles, maleic anhydrides}, issn = {0039-7881}, doi = {10.1055/s-0030-1260013}, author = {Kshirsagar, Umesh A. and N. P. Argade} } @article { ISI:000291960800006, title = {Regioselective NaBH4 and DIBAL-H reductions of 3,4-dimethoxyhomopiperonylphthalimide: concise and efficient synthesis of nuevamine and isonuevamine}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {50}, number = {6}, year = {2011}, month = {JUN}, pages = {868-871}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
Facile synthesis of nuevamine and isonuevamine has been reported via the regioselectivc reduction of hindered and unhindered carbonyl groups of 3,4-dimethoxyhomopiperonylphthalimide, respectively using sodium borohydridc and diisobutylaluminum hydride, Mowed by an acid catalyzed intramolecular dehydrative cyclization pathways. The chemistry involved in obtaining the regioselectivity has been discussed in brief.
}, keywords = {6-dimethoxyhomophthalimide, intramolecular dehydrative cyclizations, isonuevamine, N-Homopiperonyl-5, nuevamine, regioselective reductions, synthesis}, issn = {0376-4699}, author = {Wakchaure, Prasad B. and Kunte, Sunita S. and N. P. Argade} } @article { ISI:000293546100005, title = {Removal of metal ions from aqueous solution using trioctyl phosphine oxide-containing mixed solvents in conjunction with a fibre-supported solid membrane}, journal = {Adsorption Science \& Technology}, volume = {29}, number = {2}, year = {2011}, month = {JAN}, pages = {169-183}, publisher = {MULTI-SCIENCE PUBL CO LTD}, address = {5 WATES WAY, BRENTWOOD CM15 9TB, ESSEX, ENGLAND}, abstract = {
A novel method has been developed for the removal of mercury, arsenic and tin ions using a fibre-supported solid membrane placed between the source phase and the receiving phase which contained trioctyl phosphine oxide (TOPO) in a mixed solvent. The fibre-supported solid membrane was prepared by the esterification of cellulose fibre with tartaric acid at 120 degrees C. The experimental variables explored were the initial concentration of the metal ion (10(-2) to 10(-4) M) in the source phase, the type of mixed solvent employed [containing TOPO, TOPO + acetone, TOPO + tetrahydrofuran, TOPO + 1,4-dioxane, TOPO + methanol, TOPO + ethanol or TOPO + 2-propanol (20-80\% v/v)], the concentration of HCl (0.25-1 M) in the receiving phase and the stirring speed (50-130 rpm) of the bulk source and the receiving phase. The efficiency of the organic solvent in the mixed solvent followed the order: TOPO + tetrahydrofuran \> TOPO + 1,4-dioxane \> TOPO + acetone \> TOPO + 2-propanol \> TOPO + ethanol \> TOPO + methanol \> TOPO. The separation of the metal ions was discussed.
}, issn = {0263-6174}, author = {Gaikwad, Abaji G.} } @article { ISI:000291908500016, title = {Reply to the comments of vicente et al. on {\textquoteleft}{\textquoteleft}liquid phase oxidation of p-vanillyl alcohol over synthetic co-saponite catalyst{\textquoteright}{\textquoteright} applied clay science (2010), doi:10.1016/j.clay.2010.10.026}, journal = {Applied Clay Science}, volume = {52}, number = {4}, year = {2011}, month = {JUN}, pages = {432}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0169-1317}, doi = {10.1016/j.clay.2011.04.008}, author = {Rode, Chandrashekhar V. and Garade, Ajit C. and Biradar, Narayan S. and Kshirsagar, V. S.} } @article { ISI:000293119900005, title = {Robust synthesis of enantiopure cyclohexenyl analogues of 2/3-deoxyribose sugars as carbocyclic nucleoside precursors}, journal = {Tetrahedron}, volume = {67}, number = {32}, year = {2011}, month = {AUG}, pages = {5744-5749}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An expedient synthesis of 2-deoxy (10) and 3-deoxy (11) cyclohexenyl analogues of 2-deoxy and 3-deoxy-D-ribose sugar from commercially available starting materials is reported. Highly efficient enzymatic resolution of the key compound 10 is described using lipase under hydrolytic conditions. The robust methodology applied here will be useful to synthesize cyclohexenyl nucleosides, which possess potent antiviral activity and are capable of gene silencing via RNAi or antisense applications. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Carbocyclic mimics of 2-deoxy-D-ribose and 3-deoxy-D-ribose Enzymatic resolution, CeNA, DA reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2011.06.003}, author = {Varada, Manojkumar and Kotikam, Venubabu and Kumar, Vaijayanti A.} } @article { ISI:000290940400021, title = {Role of doping-induced photochemical and microstructural properties in the photocatalytic activity of InVO4 for splitting of water}, journal = {Journal of Materials Science}, volume = {46}, number = {16}, year = {2011}, month = {AUG}, pages = {5466-5476}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
We report in this paper on microstructural, optical and photocatalytic properties of single-phase indium orthovanadates, as a function of doping at lattice sites. The UV-visible spectra of these samples exhibited intense UV-region bands at 250 and 350 nm, besides broad absorption band in visible region (350-700 nm). The wavelength at absorption edge and the intensity of visible absorption showed considerable increase on doping of an impurity, particularly at V or O lattice sites. Also, the samples gave rise to blue-green photoluminescence emission, with overriding bands at ca. 420, 450, 460 and 485 nm, on excitation at 240-420 nm wavelengths. The intensity of these fluorescence bands varied with excitation wavelength and impurity content of a sample. In deviation with several earlier studies, only oxygen and no hydrogen were produced during photocatalytic splitting of water, in the experiments conducted under visible light (\> 395 nm) and at a pH of similar to 6.5. The O-2 yield depended on the dispersed metal co-catalyst, impurity content and the addition of methanol as sacrificial reagent. On the other hand, small quantities of hydrogen and no oxygen were evolved on UV-irradiation of pure water using metal/InVO4. These results are ascribed to flat band potentials and the doping-induced inter-band donor and acceptor charge trapping states of InVO4, the presence of which is revealed by XRD, luminescence and XPS studies. Our study also confirms that the onset of absorption edge may not necessarily correspond to band-to-band energy gap of a semiconducting material. This accounts for some anomalous band gap energies reported earlier for InVO4.
}, issn = {0022-2461}, doi = {10.1007/s10853-011-5489-5}, author = {Rakesh, K. and Khaire, S. and Bhange, Deu S. and Dhanasekaran, P. and Deshpande, Suvarna S. and Awate, S. V. and Gupta, N. M.} } @article { ISI:000288529500015, title = {Role of lattice defects and crystallite morphology in the UV and visible-light-induced photo-catalytic properties of combustion-prepared TiO2}, journal = {Materials Chemistry and Physics}, volume = {126}, number = {3}, year = {2011}, month = {APR}, pages = {546-554}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The physico-chemical, photo-physical and micro-structural properties responsible for the strikingly different photocatalytic behavior of combustion-prepared TiO2 (c.TiO2) and Degussa P25 (d.TiO2) samples are elucidated in this study. Electron microscopy and selected area electron diffraction micrographs revealed that the two samples exhibited different morphologies. The grains of c.TiO2 were spherical and comprised of 5-6 nm size primary particle. On the other hand, d.TiO2 consisted of large (0.5-3.0 mu m) size and irregular shape aggregates having primary particles of 15-40 nm cross-sectional diameter. The ESR study revealed that the presence of certain defect states in c.TiO2 helped in stabilization of O-. and Ti3+-OH type species during room-temperature UV-irradiation. No such paramagnetic species were however formed over d.TiO2 under similar conditions. C1s and Ti 2p XPS spectra provide evidence for the presence of some lattice vacancies in c.TiO2 and also for the bulk Ti4+ -\> Ti3+ conversion during its UV-irradiation. Compared to d.TiO2, c.TiO2 displayed considerably higher activity for discoloration of methyl orange but very poor activity for splitting of water, both under UV and visible light radiations. This is attributed to enhanced surface adsorption of dye molecules over c.TiO2, because of its textural features and also the presence of photo-active ion-radicals. On the other hand, the poor activity of c.TiO2 for water splitting is related to certain defect-induced inter-band charge trapping states in the close vicinity of valence and conduction bands of c.TiO2, as revealed by thermoluminescence spectroscopy. Further, the dispersion of nanosize gold particles gave rise to augmented activity of both the catalysts, particularly for water splitting. This is explained by the promotional role of Au-0 or Au-0/TiO2 interfacial sites in the adsorption and charge-adsorbate interaction processes. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Band-structure, Interfaces, Microstructure, Nanostructures, Semiconductors}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2011.01.029}, author = {Deshpande, Aparna and Madras, Giridhar and Gupta, N. M.} } @article { ISI:000291113200050, title = {Role of micro-structure and interfacial properties in the higher photocatalytic activity of TiO2-supported nanogold for methanol-assisted visible-light-induced splitting of water}, journal = {Physical Chemistry Chemical Physics}, volume = {13}, number = {23}, year = {2011}, month = {MAY}, pages = {11329-11339}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This paper deals with the textural, microstructural and interfacial properties of Au/TiO2 nanocomposites, in relation to their photocatalytic activity for splitting of water. TiO2 samples of two different morphologies were employed for dispersing different cocatalysts, such as: Au, Pt, Ag or Cu, for the sake of comparison. The samples were characterized using powder XRD, XPS, UV-visible, thermoluminescence, SEM, HRTEM and SAED techniques. Compared to other metal/TiO2 photocatalysts, Au/TiO2 with an optimum gold loading of 1 wt\% was found to exhibit considerably higher activity for visible light induced production of H-2 from splitting water in the presence of methanol. Further, the sol-gel prepared TiO2 (s.TiO2), having spherical grains of 10-15 nm size, displayed better photoactivity than a Degussa P25 catalyst. The electron microscopy investigations on s.TiO2 revealed significant heterogeneity in grain morphology of individual TiO2 particles, exposure of the lattice planes, metal dispersion, and the interfacial metal/TiO2 contacts. The gold particles were found to be in a better dispersed state. O-2 TPD experiments revealed that the gold nanoparticles and Au/TiO2 interfaces may serve as distinct binding sites for adsorbate molecules. At the same time, our thermoluminescence measurements provide an insight into Au-induced new defect states that may facilitate the semiconductor-to-metal charge transfer transition. In conclusion, the superior photocatalytic activity of Au/TiO2 may relate to the grain morphology of TiO2, dispersion of gold particles, and the peculiar architecture of metal/oxide heterojunctions; giving rise in turn to augmented adsorption of reactant molecules and their interaction with the photo-generated e(-)/h(+) pair. The role played by methanol as a sacrificial reagent in photocatalytic splitting of water is discussed.
}, issn = {1463-9076}, doi = {10.1039/c1cp21194c}, author = {Awate, S. V. and Deshpande, Suvarna S. and Rakesh, K. and Dhanasekaran, P. and Gupta, N. M.} } @article { ISI:000289716300080, title = {Role of promoters in copper chromite catalysts for hydrogenolysis of glycerol}, journal = {Catalysis Today}, volume = {164}, number = {1}, year = {2011}, note = {1st Joint International Conference of the 8th Tokyo Conference on Advanced Catalytic Science and Technology/5th Asia Pacific Congress on Catalysis, Sapporo, JAPAN, JUL 18-23, 2010}, month = {APR}, pages = {447-450}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Various copper chromite catalysts with and without promoters were prepared by simultaneous co-precipitation and digestion technique and the role of promoters (Al, Ba and Zn) was investigated for hydrogenolysis of glycerol to 1,2-propylene glycol (1,2-PG) in both batch and continuous operations. Among various promoters studied, copper chromite catalyst with Ba as a promoter showed the highest activity and selectivity of 85\% to 1,2-PG. This catalyst was found to be active for more than 800 h in a continuous operation also. Ammonia TPD results showed that barium promoted copper chromite catalyst had the highest acidity which facilitates the dehydration of glycerol to acetol which is the first step in hydrogenolysis of glycerol to 1,2-PG. The effect of barium content and variation in the promoters combination was also studied. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {1, 2-Propylene glycol, Acetol, Ammonia TPD, Glycerol hydrogenolysis, Surface acidity}, issn = {0920-5861}, doi = {10.1016/j.cattod.2010.10.032}, author = {Mane, R. B. and Ghalwadkar, Ajay A. and Hengne, Amol M. and Suryawanshi, Y. R. and Rode, C. V.} } @article { ISI:000287268900024, title = {Room temperature ferromagnetism in undoped and Fe doped ZnO nanorods: microwave-assisted synthesis}, journal = {Journal of Solid State Chemistry}, volume = {184}, number = {2}, year = {2011}, month = {FEB}, pages = {391-400}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
One-dimensional (1D) undoped and Fe doped ZnO nanorods of average length similar to 1 mu m and diameter similar to 50 nm have been obtained using a microwave-assisted synthesis. The magnetization (M) and coercivity (H-c) value obtained for undoped ZnO nanorods at room temperature is similar to 5 X 10(-3) emu/g and similar to 150 Oe, respectively. The Fe doped ZnO samples show significant changes in M -H loop with increasing doping concentration. Both undoped and Fe doped ZnO nanorods exhibit a Curie transition temperature (T-c) above 390 K. Electron spin resonance and Mossbauer spectra indicate the presence of ferric ions. The origin of ferromagnetism in undoped ZnO nanorods is attributed to localized electron spin moments resulting from surface defects/vacancies, where as in Fe doped samples is explained by F center exchange mechanism. (C) 2010 Published by Elsevier Inc.
}, keywords = {Diluted magnetic semiconductors, Nanostructures, ZnO}, issn = {0022-4596}, doi = {10.1016/j.jssc.2010.11.008}, author = {Limaye, Mukta V. and Singh, Shashi B. and Das, Raja and Poddar, Pankaj and Kulkarni, Sulabha K.} } @article { ISI:000296548400026, title = {RuCl3-TBHP mediated allylic oxidation of Delta(8(9)) lanosterol derivatives}, journal = {Tetrahedron Letters}, volume = {52}, number = {45}, year = {2011}, month = {NOV}, pages = {6007-6010}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A variety of Delta(8(9))-lanosterol derivatives were converted into 7,11-dienones using t-butyl hydroperoxide in the presence of ruthenium chloride (RuCl3) in good yields. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Allylic oxidation, Oxygenated steroids, Ruthenium chloride, Steroidal ketones, t-Butyl hydroperoxide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.08.166}, author = {Shingate, Bapurao B. and Hazra, Braja G. and Salunke, Deepak B. and Pore, Vandana S.} } @article { ISI:000290745300004, title = {Scaling laws for gas-solid riser flow through two-fluid model simulation}, journal = {Particuology}, volume = {9}, number = {2}, year = {2011}, month = {APR}, pages = {121-129}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Scale up of gas-solid circulating fluidized bed (CFB) risers poses many challenges to researchers. In this paper, CFD investigation of hydrodynamic scaling laws for gas-solid riser flow was attempted on the basis of two-fluid model simulations, in particular, the recently developed empirical scaling law of Qi, Zhu, and Huang (2008). A 3D computational model with periodic boundaries was used to perform numerical experiments and to study the effect of various system and operating parameters in hydrodynamic scaling of riser flow. The Qi scaling ratio was found to ensure similarity in global parameters like overall cross-sectional average solid holdup or pressure drop gradient. However, similarity in local flow profiles was not observed for all the test cases. The present work also highlighted the significance of error bars in reporting experimental values. (C) 2010 Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.
}, keywords = {CFD, Error bar, Periodic boundary, Risers, Scaling, Two-fluid model}, issn = {1674-2001}, doi = {10.1016/j.partic.2010.09.010}, author = {Naren, P. R. and Ranade, Vivek. V.} } @article { ISI:000287996100027, title = {Selective catalytic oxidation of geraniol to citral with molecular oxygen in supercritical carbon dioxide}, journal = {Applied Catalysis A-General}, volume = {394}, number = {1-2}, year = {2011}, month = {FEB}, pages = {209-214}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Selective catalytic oxidation of geraniol to citral with molecular oxygen in supercritical carbon dioxide (scCO(2)) has been investigated. The catalyst used was a chromium containing mesoporous molecular sieve catalyst viz. CrMCM-41. Comparison studies were performed with CoMCM-41. PtMCM-41 and PdMCM-41 catalysts. Among the various catalysts studied. CrMCM-41 showed a high conversion of geraniol and an excellent selectivity for citral. In contrast CoMCM-41, PtMCM-41 and PdMCM-41 catalysts exhibited low conversion of geraniol. However all three catalysts compared showed similar citral selectivity to CrMCM-41. The effect of CO(2) pressure and reaction temperature geraniol oxidation was studied with CrMCM-41. Supercritical CO(2) medium was found to enhance the conversion of geraniol and/or yield of citral. It was noticed that the catalyst can be recycled with negligible loss of conversion. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Citral, Geraniol, heterogeneous catalyst, Molecular oxygen, Selective oxidation, Supercritical carbon dioxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.01.001}, author = {Dapurkar, Sudhir E. and Kawanami, Hajime and Chatterjee, Maya and Rode, Chandrasekhar V. and Yokoyama, Toshirou and Ikushima, Yutaka} } @article { ISI:000293492300025, title = {Selective epoxidation of methyl soyate over alumina-supported group VI metal oxide catalysts}, journal = {Applied Catalysis A-General}, volume = {401}, number = {1-2}, year = {2011}, month = {JUL}, pages = {189-198}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Epoxidation of methyl soyate (biodiesel), soybean oil and oleic acid with tert.-butyl hydroperoxide (TBHP) was investigated over gamma-alumina-supported group VI metal oxides (CrOx/Al2O3, MoOx/Al2O3 and WOx/Al2O3) prepared by impregnation method. The studies revealed that 15 wt\% MoOx on gamma-Al2O3 was the most active catalyst (conversion \>90 mol\% under optimized conditions). While MoOx/Al2O3 is selective mainly for epoxidation, the other catalysts are active for epoxidation as well as for decomposition of TBHP. The active species on the catalyst surface were investigated using in situ UV-visible spectroscopy. A linear correlation was observed between epoxidation activity and surface acidity of the catalyst. A new H-1 NMR method was developed to monitor the progress of epoxidation reaction which was found to be superior to gas chromatographic method in estimating the conversion of double bonds of fatty compounds. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Alumina-supported group VI metal oxides, Biodiesel, epoxidation, Fatty acids, H-1 NMR spectroscopy, MoOx/Al2O3, Vegetable oil}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.05.021}, author = {Satyarthi, Jitendra K. and Srinivas, D.} } @article { ISI:000291421400015, title = {Selective hydrogenation of chloronitrobenzenes with an MCM-41 supported platinum allyl complex derived catalyst}, journal = {Applied Catalysis A-General}, volume = {399}, number = {1-2}, year = {2011}, month = {MAY}, pages = {117-125}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A platinuin precatalyst (1) has been prepared by reacting [(eta(3)-C3H5)(4)Pt4Cl4] with surface functionalized MCM-41 with pendant -(CH2)(3)NH(CH2)(2)NH2 groups. For the hydrogenation of o-, m- and p-chloronitrobenzenes to the corresponding chloroanilines, 1 is found to be a highly active catalyst with good selectivities for them-and p-isomers. Its performance is superior to that of its palladium analogue and far superior to that of commercial (5\%) Pt/C or (5\%) Pt/Al2O3. Comparison of solid state and solution NMR data and other evidences indicate that on treatment with the functionalized MCM-41 support; [(eta(3)-C3H5)(4)Pt4Cl4] loses the ally! ligand. XPS data show that in the fresh catalyst Pt is present in the 2+ oxidation state. Based on these and analytical data, co-ordination by surface diamine and hydroxo groups to Pt2+ in 1 is suggested. In the used catalyst both Pt2+ and Pt are present but the amount of metallic platinum is similar to 16\% of the total. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Chloronitrobenzenes, Dehydrohalogenation, heterogeneous catalyst, MCM-41, Selective hydrogenation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.03.044}, author = {Indra, Arindam and Rajamohanan, Pattuparambil R. and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000293419700042, title = {Selectivity tailoring in liquid phase oxidation over MWNT-Mn3O4 nanocomposite catalysts}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {31}, year = {2011}, month = {AUG}, pages = {15440-15448}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Highly selective multiwalled nanotubes (MWNT)-Mn3O4 nano-composite catalyst was designed for liquid phase oxidation of p-cresol, which gave highest selectivity of 90\% to the first step oxidation product, p-hydroxy benzyl alcohol. Mn3O4 nanoparticles and MWNT-Mn3O4 nanocomposites were synthesized by coprecipitation route using mixed precursors under controlled conditions. The phase purity of Mn3O4 and the formation of MWNT-Mn3O4 nanocomposites were confirmed by X-ray diffraction, Raman spectroscopy, and X-ray photoelectron spectroscopy. High-resolution transmission electron microscopy revealed the selective exposure of (101) and (001) planes of Mn3O4 nanoparticles in the MWNT-Mn3O4 composite, while lowering in oxidizing capacity of MWNT-Mn3O4 nanocomposite confirmed by cyclic voltametry was due to incorporation of electron rich MWNT. Thus, selectivity tuning of the new material (MWNT-Mn3O4 nanocomposite) was found to be due to alteration in both geometric as well as electronic properties. A plausible reaction pathway also has been proposed involving the predominant role of nucleophilic lattice oxygen (O2-) species due to exposure of particular crystal planes giving highest selectivity to p-hydroxy benzyl alcohol.
}, issn = {1932-7447}, doi = {10.1021/jp203318n}, author = {Biswal, Mandakini and Dhas, Vivek V. and Mate, Vivek R. and Banerjee, Abhik and Pachfule, Pradip and Agrawal, Kanika L. and Ogale, Satishchandra B. and Rode, Chandrashekhar V.} } @article { ISI:000287092000033, title = {Self assembled CdLa2S4 hexagon flowers, nanoprisms and nanowires: novel photocatalysts for solar hydrogen production}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {8}, year = {2011}, month = {JAN}, pages = {2624-2631}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report here a new ternary chalcogenide material, cadmium lanthanum sulfide (CdLa2S4) produced using a facile hydrothermal method at 433 K. The effect of the solvent on the morphology of the CdLa2S4 was demonstrated for the first time. The prima facie observations revealed the formation of highly crystalline hexagonal structures in the form of flowers in aqueous medium. The flowers comprise hexagonal columns similar to 300 nm in diameter and 1-1.2 mu m in length. All the hexagonal structures have a sharp tip with a cavity of 10 nm and are almost equal in size. The nanoprisms have an average base size of 35 nm with 35 nm edges, and the nanowires have a diameter of 10-15 nm; both were obtained in methanol. Crystal and electronic structure calculations were performed using the Vienna ab initio simulation package (VASP) based on density functional theory (DFT). Considering the band gap of pristine CdLa2S4 in the visible region (2.3 eV), we have demonstrated CdLa2S4 as a photocatalyst for the production of H-2 under solar light. Nanostructured CdLa2S4 prisms gave the maximum hydrogen production, i.e. 2552 mu mol h(-1). Being a stable ternary nanostructured metal sulfide (with nanohexagons, nanoprisms, nanowires), CdLa2S4 may have other potential prospective applications in solar cells and optoelectronic devices.
}, issn = {0959-9428}, doi = {10.1039/c0jm02890h}, author = {Kale, Bharat B. and Baeg, Jin-Ook and Kong, Ki-jeong and Moon, Sang-Jin and Nikam, Latesh K. and Patil, Kashinath R.} } @article { ISI:000288291400015, title = {Self-standing three-dimensional networks of nanoparticles with controllable morphology by dynamic templating of surfactant hexagonal domains}, journal = {Chemistry of Materials}, volume = {23}, number = {6}, year = {2011}, month = {APR}, pages = {1448-1455}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Assembly of nanoparticles into free-standing three-dimensional networks has implications for a wide range of applications. We show that dynamic templating of surfactant hexagonal domains is a facile technique to organize nanoparticles into a network of particulate strands. Dispersed particles (\> 10 nm), independent of particle chemistry, assemble into networks, when the surfactant matrix cools into the hexagonal phase. We demonstrate assembly of inorganic, polymeric, and protein nanoparticles into networks. Where particle assembly is reversible, particles are coated with polymers that are subsequently cross-linked to stabilize the networks after surfactant removal. This technique involves near ambient temperatures and a benign water wash for template removal. The network mesh size can be varied from submicrometers to tens of micrometers by controlling the cooling rate. Particle networks can be flow-oriented prior to cross-linking, and interpenetrating networks can also be formed.
}, keywords = {hexagonal, macroporous, nanoparticle, self assembly, surfactant}, issn = {0897-4756}, doi = {10.1021/cm102945x}, author = {Sharma, Kamendra P. and Ganai, Anal Kumar and Sen Gupta, Sayam and Kumaraswamy, Guruswamy} } @article { ISI:000295422000005, title = {Sesquiterpene lactone, a potent drug molecule from artemisia pallens wall with anti-inflammatory activity}, journal = {Arzneimittel-Forschung-Drug Research}, volume = {61}, number = {9}, year = {2011}, month = {DEC}, pages = {510-514}, publisher = {ECV-EDITIO CANTOR VERLAG MEDIZIN NATURWISSENSCHAFTEN}, address = {BANDELSTOCKWEG 20, POSTFACH 1255, D-88322 AULENDORF, GERMANY}, abstract = {
The present study was carried out to investigate the anti-inflammatory activities of bioactive secondary metabolites of Artemisia pallens Wall, an aromatic herb from family Asteraceae. The results provide evidence for the topical anti-inflammatory properties of Artemisia pallens Wall. The compounds were isolated from the acetone extract of the plant material. The isolates were tested on Swiss albino mice using 12-O-tetradecanoyl phorbol-13-acetate (TPA) induced ear edema. One of the molecules from the extract indicated potent anti-inflammatory activity equivalent to indometacin (CAS 53-86-1). Elucidation of the molecular structures by single crystal x-ray diffraction studies revealed the conformational differences that the six membered rings in both the molecules are at an angle of 28.79 degrees. Presence of hydroxy function for compound 2 may be responsible for higher potency.
}, keywords = {Anti-inflammatory activity, Artemisia pollens, Asteraceae, Mice, Single crystal x-ray structure}, issn = {0004-4172}, author = {Ruikar, Anjali D. and Misar, Ashwini V. and Jadhav, Ravindra B. and Rojatkar, Supada R. and Mujumdar, Arvind M. and Puranik, Vedavati G. and Deshpande, Nirmala R.} } @article { ISI:000293213600025, title = {Shape preserving chemical transformation of ZnO mesostructures into anatase TiO2 mesostructures for optoelectronic applications}, journal = {Energy \& Environmental Science}, volume = {4}, number = {8}, year = {2011}, month = {AUG}, pages = {2835-2839}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In this work we report on the synthesis of various ZnO mesostructures (rods, spheres, flakes and flower-like morphologies) by hydrothermal and co-precipitation methods and their remarkable and complete transformation into anatase TiO2 mesostructures with nominally similar shapes using controlled low temperature TiCl4 treatment. Various techniques are used to demonstrate the phase purity and morphology details. Based on the careful examination of the transformation of ZnO rods into TiO2 tubes we suggest a mechanism which embodies initial formation of a thin TiO2 shell on the ZnO surface by ion exchange (Ti4+-Zn2+) followed by Zn diffusion through the shell and its oxidation on the surface. We used these converted TiO2 mesostructures for light harvesting in Dye Sensitized Solar Cells (DSSCs) to enhance the conversion efficiency. It is shown that DSSCs made using a doctor bladed film of TiO2 nanoparticles with an overlayer of TiCl4 treated ZnO flowers yield a solar cell efficiency of 6.9\% which is considerably higher than that with only TiO2 nanoparticle film (5.4\%) of comparable thickness.
}, issn = {1754-5692}, doi = {10.1039/c1ee01515j}, author = {Muduli, Subas and Game, Onkar S. and Dhas, Vivek V. and Yengantiwar, Ashish and Ogale, Satishchandra B.} } @article { ISI:000296871800013, title = {Sharp cut algorithm for optimization}, journal = {Computers \& Chemical Engineering}, volume = {35}, number = {12}, year = {2011}, month = {DEC}, pages = {2716-2728}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In this paper, we introduce a new cutting plane algorithm which is computationally less expensive and more efficient than Kelley{\textquoteright}s algorithm. This new cutting plane algorithm uses an intersection cut of three types of cutting planes. We find from numerical results that the global search method formed using successive linear programming and a new intersection set is at least twice as fast as Kelley{\textquoteright}s cutting planes. The necessary mathematical analysis and convergence theorem are provided. The key findings are illustrated via optimization of a cascade of three CSTRs. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Convergence theorem, Cutting plane, Sharp cut, Successive linear programming}, issn = {0098-1354}, doi = {10.1016/j.compchemeng.2010.11.010}, author = {Inamdar, Satish R. and Karimi, I. A. and Parulekar, S. J. and Kulkarni, B. D.} } @article {42770, title = {Silico substrate specificity in bmgt1 and bmgt2 genes of bacopa monniera glycosyltransferases online journal of bioinformatics}, journal = {Bioinformatics}, volume = {12}, year = {2011}, month = {JAN}, pages = {413 - 430}, author = {Sharma, Ranu and Ruby and Khan, Bashir Mohammad and Suresh, C.G.} } @article { ISI:000292776300038, title = {Silver nanoparticle studded porous polyethylene scaffolds: bacteria struggle to grow on them while mammalian cells thrive}, journal = {Nanoscale}, volume = {3}, number = {7}, year = {2011}, month = {JUN}, pages = {2957-2963}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Silver nanoparticle studded scaffolds were prepared by exploiting the Ag+ ion reducing activity of sophorolipids-a class of {\textquoteleft}glycolipids{\textquoteright} that cap the ensuing nanoparticles as well. To achieve this, the porous polyethylene scaffolds are subjected to N-2+H-2 plasma treatment, in the first step. Subsequently the sophorolipids are covalently attached to the amine groups on the polymer surface through simple amide chemistry to yield sophorolipid grafted polymer scaffolds. These are then exposed to Ag+ ions under appropriate conditions leading to the formation of silver nanoparticles immobilized on the polymer scaffolds. It has been found that while bacteria do not survive on these silver studded scaffolds, CHO-K1 cells thrive on them making them good candidates for tissue engineering and bio-implant applications.
}, issn = {2040-3364}, doi = {10.1039/c1nr10154d}, author = {D{\textquoteright}Britto, Virginia and Kapse, Harsha and Babrekar, Harshada A. and Prabhune, Asmita and Bhoraskar, S. V. and Premnath, V. and Bhagavatula L. V. Prasad} } @article { ISI:000287627200012, title = {Single nucleotide polymorphism in transcobalamin II (15V) induces structural changes in the protein as revealed by molecular modeling studies}, journal = {Biochemistry}, volume = {50}, number = {8}, year = {2011}, month = {MAR}, pages = {1396-1402}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Cobalamin is an essential micronutrient in mammals. Deficiencies of this micronutrient have been implicated as risk factors for various complex diseases. Cobalamin is transported to the cells by the transport protein transcobalamin II (TCII), and hence genetic variations (like single nucleotide polymorphisms) in TCII could be perceived to affect the binding of cobalamin to TCII, thereby modulating the intracellular concentrations of cobalamin. To understand whether three nonsynonymous mutations in TCII (I5V, P241R, and R381Q) alter the structure of the protein which could potentially affect cobalamin binding, we performed molecular dynamics simulation in silico. Superimposition of active sites of the four simulated models (wild type and three variants) with the human TCII crystal structure revealed that the distance between the N epsilon nitrogen atom of His-173 and the cobalt ion of cobalamin deviated considerably in the I5V model as compared to wild type and other variants. His-173 directly coordinates with the cobalt ion of cobalamin. Further, from our dynamic cross-correlation and principal component analysis it appears that in the I5V model the beta-domain moves apart from the alpha-domain creating a wide gap between the two domains. This might facilitate the initial binding of cobalamin in the I5V model as cobalamin enters the binding site through the gap between the two domains. These observations were not found in the other variants. We thus speculate that binding of cobalamin will be more facile in the I5V variant.
}, issn = {0006-2960}, doi = {10.1021/bi101095g}, author = {Silla, Yumnam and Chandamouli, Balasubramanian and Maiti, Souvik and Sengupta, Shantanu} } @article { ISI:000293192100022, title = {Size- and shape-sensitive reactivity behavior of Al-n(n=2-5, 13, 30, and 100) clusters toward the N-2 molecule: a first-principles investigation}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {30}, year = {2011}, month = {AUG}, pages = {14615-14623}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Reactivity of aluminum clusters has been found to exhibit size-sensitive variations. N-2 reduction is a hard process, and its dissociation on the Al surface is one of the few chemical methods available under nonhazardous conditions. In this context, we attempt to understand the adsorption behavior of N-2 molecules as a function of varying size and shape of Al clusters using a Density Functional Theory (DFT) based method. During the complex formation, various N-2 adsorption modes are examined. The results clearly demonstrate that, while the interaction energy does not vary with respect to the cluster size, shape of the cluster is highly contributive toward the chemisorption (a prerequisite for the reactivity) of the N-2 molecule. The underlying electronic and structural factors influencing the adsorption of N-2 molecules on the Al clusters are analyzed with the help of the Electron Localization Function (ELF) and Frontier Molecular Orbitals. As an illustration, the activation barrier calculations on various Al-13 conformations are calculated, and results confirm the experimental propositions that high-energy structures (depending upon their geometrical and electronic orientation) are more favorable for N-2 reduction.
}, issn = {1932-7447}, doi = {10.1021/jp203452a}, author = {Kulkarni, Bhakti S. and Krishnamurty, Sailaja and Pal, Sourav} } @article { ISI:000295223800016, title = {Solid suspension in stirred tanks: UVP measurements and CFD simulations}, journal = {Canadian Journal of Chemical Engineering}, volume = {89}, number = {5, SI}, year = {2011}, month = {OCT}, pages = {1112-1121}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Suspension of solids in stirred reactor is widely used for catalytic reactions, dissolution, etc. Quality of solid suspension is an important parameter required for the reliable design, optimum performance, and scale up of the system. Quality of suspension depends on local characteristics of solid velocity and hold up profiles. The present work was focused on investigating quality of solid suspension using ultrasound velocity profiler (UVP) measurements and CFD simulations. The slip velocity measurements carried out with UVP were used to evaluate different drag correlations used in CFD simulations. Results discussed in this work would be useful for extending the applications of CFD models for simulating large stirred slurry reactors.
}, keywords = {CFD, drag coefficient, solid suspension, solid-liquid velocities, UVP}, issn = {0008-4034}, doi = {10.1002/cjce.20548}, author = {Sardeshpande, Madhavi V. and Juvekar, Vinay A. and Ranade, Vivek V.} } @article {42576, title = {Solution-processed heterojunction solar cells based on p-type PbS quantum dots and n-type Bi2S3 nanocrystals}, journal = {Advanced Materials}, volume = {23}, year = {2011}, month = {AUG}, pages = {3712{\textendash}3717}, abstract = {
Bi2S3 nanocrystals are employed as an n-type, non-toxic, inorganic, solution-processed semiconductor in thin film solar cells. The first solution processed-inorganic p-n junction based on p-type PbS QDs and n-type Bi2S3 nanocrystals with both phases contributing to photocarrier generation is demonstrated. The reported devices show a power conversion efficiency of 1.6\% for 860 nm PbS QDs and over 1\% for 1300 nm PbS QDs.
}, doi = {10.1002/adma.201101399}, author = {Rath, Arup Kumar and Bernechea, Maria and Martinez, Luis and Konstantatos, Gerasimos} } @article {42542, title = {Solvent-dependent aggregation behavior of a new Ru(ii)-polypyridyl based metallosurfactant}, journal = {Chemical Communications}, volume = {47}, year = {2011}, month = {SEP}, pages = {11074-11076}, abstract = {
Variation of the solvent polarity leads to the formation of vesicles and reverse vesicles of a newly synthesized amphiphilic Ru(II)-polypyridyl complex.
}, doi = {10.1039/C1CC13957F}, author = {Mahato, Prasenjit and Saha, Sukdeb and Choudhury, Sipra and Das, Amitava} } @article { ISI:000293435400011, title = {Solvent-free mukaiyama-aldol condensation catalyzed by Ce-Al-MCM-41 mesoporous materials}, journal = {Microporous and Mesoporous Materials}, volume = {144}, number = {1-3}, year = {2011}, note = {16th IZC/7th IMMS Conference, Sorrento, ITALY, JUL 04-09, 2010}, month = {OCT}, pages = {82-90}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
MCM-41 samples containing Ce4+ and Al3+ in the network, designated as Ce-x-Al-MCM-41 (x = 0.0-0.04), were synthesized and characterized systematically. These samples exhibited higher catalytic activity for Mukaiyama-aldol condensations to produce beta-hydroxy carbonyl compounds under the solvent free conditions, compared to the samples containing either of the two cations. The product yield was found to depend on the electron donating/withdrawing characteristics of reactant molecules being responsible for the observed trend. Series of solvents were also investigated but considerably high yield of aldol products (similar to 95\%) could be achieved without using any solvents. In all the cases, the selectivity was found to be 100\%, typical of such Mukaiyama-aldol condensations. The higher catalytic activity of Ce-x-Al-MCM-41 is explained on the basis of certain new acid sites generated due to co-incorporation of Ce and Al cations. Published by Elsevier Inc.
}, keywords = {Acid catalyst, Ce-Al-MCM-41, Silyl enol ether and aldehyde, Silyl ketene acetal}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2011.03.027}, author = {Kalita, Pranjal and Gupta, Narendra M. and Kumar, Rajiv} } @article { ISI:000295757900019, title = {Solvent-free selective oxidation of primary alcohols-to-aldehydes and aldehydes-to-carboxylic acids by molecular oxygen over MgO-supported nano-gold catalyst}, journal = {Catalysis Communications}, volume = {13}, number = {1}, year = {2011}, month = {OCT}, pages = {82-86}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Magnesium oxide supported nano-gold catalyst (prepared by the homogeneous deposition precipitation technique) showed high activity/selectivity and excellent reusability in the oxidation of different primary alcohols and aldehydes to corresponding aldehydes and carboxylic acids, respectively, by molecular oxygen (under atmospheric pressure) in the absence of any solvent. Influence of the catalyst calcination temperature (400-900 degrees C), reaction temperature (50-120 degrees C) and use of different solvents (viz. toluene. p-xylene, DMF or DMSO) on the oxidation reaction has also been studied. (C) 2011 Published by Elsevier B.V.
}, keywords = {Alcohols, aldehydes, Au/MgO, Molecular oxygen, Solvent-free oxidation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2011.07.001}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @article { ISI:000289050100049, title = {Solvothermal synthesis, structure, and properties of metal organic framework isomers derived from a partially fluorinated link}, journal = {Crystal Growth \& Design}, volume = {11}, number = {4}, year = {2011}, month = {APR}, pages = {1215-1222}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Solvothermal reactions of Cu(NO3)(2) center dot 3H(2)O with 4,4{\textquoteright}-(hexafluoroisopropylidene) bis(benzoic acid) (C17H10F6O4, H(2)hfbba) and terminal monodentate ligand 3-methyl pyridine (3-picoline/3-mepy) in the presence of N, N-dimethyl formamide (DMF) and N,N-diethyl formamide (DEF) solvents gave rise to two structurally different two-dimensional (2D) fluorinated metal organic frameworks (F-MOFs). The effect of the choice of solvent has been clearly reflected in the structures obtained. The F-MOFs reported in this paper are formulated as [Cu-2(hfbba)(2)(3-mepy)(2)] center dot (DMF)(2)(3-mepy) (F-MOF-4), [Cu-2(hfbba)(2)(3-mepy)(2)] (Cu-F-MOF-4B), and [Zn-2(hfbba)(2)(3-mepy)(2)] center dot (3-mepy) (Zn-F-MOF-4B) which displays interesting 2D structures with and without interdigitation depending on the solvent used. The structures of these F-MOFs have been determined by X-ray crystallography and further identified by IR spectroscopy, powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). The effect of interdigitation has been reflected in the gas adsorption and magnetic properties of these F-MOFs. These F-MOFs also show comparable H-2 and CO2 uptake depending on their structural variation. Temperature-dependent magnetic susceptibility measurements over a wide range of temperatures exhibit dominantly short-range antiferromagnetic behavior, with weak ferromagnetic behavior showing up at very low temperatures, which is evident from opening of the hysteresis loop with a finite value of coercivity in both F-MOF-4 and Cu-F-MOF-4B. We observed a smaller value of mu(eff) per Cu atom and coercivity in Cu-F-MOF-4B than the F-MOF-4 due to relatively larger distances between the neighboring dicopper paddlewheel secondary building unit.
}, issn = {1528-7483}, doi = {10.1021/cg101414x}, author = {Pachfule, Pradip and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000295237400015, title = {Stereoselective synthesis and antimicrobial activity of steroidal C-20 tertiary alcohols with thiazole/pyridine side chain}, journal = {European Journal of Medicinal Chemistry}, volume = {46}, number = {9}, year = {2011}, month = {SEP}, pages = {3681-3689}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
Stereoselective synthesis of novel steroidal C-20 tertiary alcohols with thiazole and pyridine side chain using Grignard reaction of steroidal ketones and thiazole/pyridine magnesium bromide have been realized. These molecules were evaluated in vitro for their antifungal and antibacterial activities. Most of the compounds exhibited significant antifungal and antibacterial activity against all the tested strains. (C) 2011 Elsevier Masson SAS. All rights reserved.
}, keywords = {antibacterial activity, Antifungal activity, Grignard reaction, Steroid side chain, Steroidal ketones}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2011.05.032}, author = {Shingate, Bapurao B. and Liazra, Braja G. and Salunke, Deepak B. and Pore, Vandana S. and Shirazi, Fazal and Deshpande, Mukund V.} } @article { ISI:000288074100009, title = {Stereoselective synthesis of (-)-galantinic acid}, journal = {Synthesis-Stuttgart}, number = {6}, year = {2011}, month = {MAR}, pages = {901-904}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
An efficient and highly concise synthesis of (-)-galantinic acid has been achieved using an asymmetric allylation reaction of Garner{\textquoteright}s aldehyde.
}, keywords = {Amino alcohol, Chiral pool, iterative asymmetric allylation, Oxidation, stereoselective synthesis}, issn = {0039-7881}, doi = {10.1055/s-0030-1258431}, author = {Dubey, Abhishek and Harbindu, Anand and Kumar, Pradeep} } @article { ISI:000295113200011, title = {Stereoselective synthesis of ophiocerins A and C}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {11}, year = {2011}, month = {JUN}, pages = {1212-1217}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient synthesis of ophiocerins A and C has been achieved via a common intermediate. The stereogenic centers were generated by means of Jacobsen{\textquoteright}s hydrolytic kinetic resolution and Sharpless kinetic resolution. (C) 2011 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.06.015}, author = {Show, Krishanu and Gupta, Priti and Kumar, Pradeep} } @article { ISI:000291903100003, title = {Strain improvement and statistical media optimization for enhanced erythritol production with minimal by-products from candida magnoliae mutant R23}, journal = {Biochemical Engineering Journal}, volume = {55}, number = {2}, year = {2011}, month = {JUL}, pages = {92-100}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Mutants of Candida magnoliae NCIM 3470 were generated by ultra-violet and chemical mutagenesis to enhance erythritol production. The mutants were screened for higher reductase activity on agar plates containing high concentration of glucose and 2,3,5-triphenyl tetrazolium chloride (TTC). One of the mutants named as R23 gave maximum erythritol production, 60.3 g L(-1), compared to 14 g L(-1) of the parent strain. Glucose and yeast extract were identified as critical medium components which decide the ratio of polyols produced, mainly erythritol, mannitol and glycerol. In order to enhance the production of erythritol and to minimize the production of mannitol and glycerol, a four component-five level-three response central-composite-rotatable-design (CCRD) of response surface methodology (RSM) model was used. The optimum medium composition for erythritol production was found to contain (g L(-1)) glucose 238, yeast extract 9.2, KH(2)PO(4), 5.16 and MgSO(4) 0.23. Moreover, erythritol production was studied in a 10 L fermentor in batch and fed-batch mode using RSM optimized medium. In fed-batch fermentation, 87.8 g L(-1) erythritol was produced with 31.1\% yield, without formation of any other polyols. Thus present study involving strain improvement followed by media and process optimization resulted in 6.2-fold increase in erythritol production and 3.4-fold increase in the yield. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Candida magnoliae, Erythritol, Fermentation, Metabolite over-production, Modelling, Optimization}, issn = {1369-703X}, doi = {10.1016/j.bej.2011.03.009}, author = {Savergave, Laxman S. and Gadre, Ramchandra V. and Vaidya, Bhalchandra K. and Narayanan, Karthik} } @article { ISI:000292161300005, title = {Streptomyces nucleases}, journal = {Critical Reviews in Microbiology}, volume = {37}, number = {3}, year = {2011}, month = {AUG}, pages = {227-236}, publisher = {INFORMA HEALTHCARE}, address = {52 VANDERBILT AVE, NEW YORK, NY 10017 USA}, abstract = {
Streptomyces nucleases are widely distributed and multifunctional enzymes acting on both DNA and RNA. They occur extra as well as intracellularly and can be classified under sugar specific and sugar non-specific nucleases. Nucleases play different roles like analytical, biological, and nutritional. They are also used in programmed cell death. Although more than 20 nucleases are reported to date, very little information is available regarding their structure-function relationship, active site based sequence homology, and the probable mechanism of action. This review describes the history, occurrence, localization, production, purification, properties, and applications of Streptomyces nucleases.
}, keywords = {Applications, Endonuclease, extracellular, production, Purification, Substrate specificity}, issn = {1040-841X}, doi = {10.3109/1040841X.2011.562173}, author = {Joshi, Amruta Pramod and Deshmukh, Sumedha Sharad} } @article { ISI:000296306600025, title = {Strong electric field modulation of transport in PVDF/MWCNT nanocomposite near the percolation threshold}, journal = {Solid State Communications}, volume = {151}, number = {21}, year = {2011}, month = {NOV}, pages = {1612-1615}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A nanocomposite comprising of multiwalled carbon nanotubes (MWCNT) embedded in ferroelectric Poly(vinylidene fluoride) PVDF polymer matrix is examined for electric field induced transport modulation. The pulsed laser deposition (PLD) grown thin films of the nanocomposite with different MWCNT content were characterized. When used as a channel layer in a field effect transistor configuration, a strong electric field modulation of the transport was realized just below the percolation threshold. We believe that this nanocomposite non-percolating channel concept can provide several opportunities for FET devices for organic electronics. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Field effect device, pulsed laser deposition, PVDF, Scanning tunneling microscopy}, issn = {0038-1098}, doi = {10.1016/j.ssc.2011.07.018}, author = {Chanmal, Chetan and Deo, Meenal S. and Rana, Abhimanyu and Jog, Jyoti Prakash and Ogale, Satishchandra B.} } @article { ISI:000296659000032, title = {Strong photo-response in a flip-chip nanowire p-Cu2O/n-ZnO junction}, journal = {Nanoscale}, volume = {3}, number = {11}, year = {2011}, month = {OCT}, pages = {4706-4712}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Cu2O nanoneedles are synthesized on a copper substrate by a simple anodization and reducing ambient annealing protocol. ZnO nanorods are grown on ITO coated glass by a low temperature chemical route. The electronic and photo-response properties of the p-Cu2O/n-ZnO flip-chip heterojunction are then studied and analyzed. We show that the I-V characteristic is rectifying and the junction exhibits a good photoresponse (similar to 120\% under 1 V reverse bias) under AM 1.5 (1 Sun) illumination. This nano-heterojunction photo-response is far stronger as compared to that of a pulsed laser deposited thin film p-Cu2O/n-ZnO heterojunction, which can be attributed to higher junction area in the former case.
}, issn = {2040-3364}, doi = {10.1039/c1nr10665a}, author = {Deo, Meenal S. and Mujawar, Sarfraj and Game, Onkar S. and Yengantiwar, Ashish and Banpurkar, Arun G. and Kulkarni, Sneha and Jog, Jyoti Prakash and Ogale, Satishchandra B.} } @article { ISI:000296264700024, title = {Structural and gas adsorption study of a two-dimensional copper-tetrazole based metal-organic framework}, journal = {Current Science}, volume = {101}, number = {7}, year = {2011}, month = {OCT}, pages = {894-899}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
A new two-dimensional (2D) metal organic framework, Cu-1(4-TBA)(1)(DMBP)(1).DMF (Cu-TBA-3), has been synthesized under solvothermal condition from transition metal cation Cu(II), predesigned ligand 4-(1H-tetrazole-5-yl)benzoic acid (4-TBA) and coligand 4,4{\textquoteright}-dimethy1-2,2{\textquoteright}-bipyridine (DMBP). The structure has been determined by single crystal X-ray crystallography which shows layered 2D structure with square shaped one-dimensional channels. Cu-TBA-3 shows 0.69 wt\% H-2 (at 77 K, 1 atm) and 1.65 mmol/g CO2 (at 298 K, 1 atm) uptake.
}, keywords = {CO2 capture, Hydrogen storage, metal-organic frameworks, microporous materials}, issn = {0011-3891}, author = {Pachfule, Pradip and Banerjee, Rahul} } @article { ISI:000285735100021, title = {Structural and selective gas adsorption studies of polyoxometalate and tris(ethylenediamine) cobalt(III) based ionic crystals}, journal = {Crystal Growth \& Design}, volume = {11}, number = {1}, year = {2011}, month = {JAN}, pages = {139-146}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Seven new ionic solids built on polyoxometalate anions and [Co(en)(3)](3+) cations, namely, [Co(en)(3)Mo(8)O(26)(H(3)O)-(Cl)](DMF)(4)(H(2)O) (Co-Mo(8)-DMF), [alpha-PW(12)O(40)][Co(en)(3)]center dot 6DMF (Co-W(12)P-DMF), [alpha-PW(12)O(40)][Co(en)(3)]center dot 6DEF (Co-W(12)P-DEF), [alpha-PMo(12)O(40)][Co(en)(3)]center dot 5.5DMF (Co-Mo(12)P-DMF), [alpha-PMo(12)O(40)][Co(en)(3)]center dot 6DEF (Co-Mo(12)P-DEF), [alpha-SiW(12)O(40)]-[Co(en)(3)](3/2)[Cl](1/2)center dot 6DMF center dot 3H(2)O (Co-W(12)Si-DMF), and [alpha-SiW(12)O(40)][Co(en)(3)]center dot 6DEF (Co-W(12)Si-DEF), have been synthesized from nonaqueous (DMF/DEF) media and characterized by single-crystal X-ray diffraction. We attempt to understand if [Co(en)(3)](3+) cations used in these reaction systems play a crucial role in controlling the assembly of these crystals. These ionic solids, after removal of the DMF or DEF molecules, are found to exhibit size selective H(2) adsorption properties over N(2). The amount of hydrogen adsorption was influenced by POM anion types and their orientations. CoMo(12)P-DEF has the highest (0.9 wt \%) H(2) uptake, and CoW(12)P-DEF has the lowest (0.4 wt \%) uptake among the series when the adsorbate pressure approached 1 atm.
}, issn = {1528-7483}, doi = {10.1021/cg101201b}, author = {Dey, Chandan and Das, Raja and Pachfule, Pradip and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000291294100029, title = {Structural isomerism and effect of fluorination on gas adsorption in copper-tetrazolate based metal organic frameworks}, journal = {Chemistry of Materials}, volume = {23}, number = {11}, year = {2011}, month = {JUN}, pages = {2908-2916}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Synthesis, structure, and gas adsorption properties of three Metal Organic Frameworks (MOFs) synthesized from predesigned ligands 4-(1H-tetrazole-5-yl)benzoic acid (4-TBA) and 2-fluoro-4-(1H-tetrazole-5-yl)benzoic acid (2F-4-TBA) along with Cu(II) as an metal precursor has been reported. Among these MOFs, Cu-9(4-TBA)(10)(C2H5OH)(2) (Cu-TBA-1) and Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) are structural isomers. Whereas, Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) and Cu-2(2-F-4-TBA)(2)(DMF)(2) (Cu-TBA-2F) have similar crystal structure. N-2 adsorption isotherms of the activated sample of Cu-TBA-1 and -2 exhibit types-I sorption behavior with a Langmuir and Brunauer-Emmett-Teller (BET) surface area of 686, 402 m(2)/g and 616, 356 m(2)/g, respectively. It is noteworthy that Cu-TBA-1 and -2 adsorbs 1.16 and, 1.54 wt \% H-2, while Cu-TBA-2F adsorbs 0.67 wt \% at 77 K and 1 atm. On the other hand, Cu-TBA-1 and -2 adsorb 3.08 and 2.54 mmol/g, while Cu-TBA-2F adsorbs 1.27 mmol/g of CO2 at 298 K and 1 bar pressure. H-2 adsorption sites in Cu-TBA-2 and -2F have been analyzed by molecular simulation.
}, keywords = {CO2 adsorption, fluorination, Hydrogen storage, Metal-organic framework, structural isomerism}, issn = {0897-4756}, doi = {10.1021/cm2004352}, author = {Pachfule, Pradip and Chen, Yifei and Sahoo, Subash Chandra and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000289710700005, title = {Structural, magnetic, and gas adsorption study of a series of partially fluorinated metal-organic frameworks (HF-MOFs)}, journal = {Inorganic Chemistry}, volume = {50}, number = {9}, year = {2011}, month = {MAY}, pages = {3855-3865}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Four new partially fluorinated metal organic frameworks (HF-MOFs) have been synthesized under different solvothermal conditions (H2O or dimethylformamide (DMF)) from transition metal cations [Co2+ and Mn2+], 3-methyl pyridine (3-mepy) and 4,4{\textquoteright}-(hexafluoroisopropylidene) bis(benzoic acid) (C17H10F6O4, H(2)hfbba), to determine the influence of reaction conditions on the formation of MOFs. This family of materials displays a striking degree of structural similarity depending on the solvent of synthesis. HF-MOFs synthesized from H2O [Co-HFMOF-W, Co(liffiba)(3-mepy)(H2O) and Mn-HFMOF-W, Mn(hfbba)(3-mepy)(H2O)] contain three-dimensional connectivity whereas HF-MOFs synthesized from DmF Co-HFMOF-D, [Co-2(hfbba)(2)(3-mepy)(2)]center dot(DMF)(3) and Mn-HFMOE-D, [Mn-2(hfbba)(2)(3-mepy)]center dot(H2O) are two-dimensional in nature. Co-HFMOF-W and Mn-HFMOF-W are iso-structural polymeric materials. Thermal gravimetric analysis performed on as-synthesized HP-MOFs revealed that these compounds have high thermal stability (similar to 350 degrees C). The continuous decrease of the chi T product with decreasing T for Co-HFMOF-D and Co-HFMOF-W respectively indicates the presence of antiferromagnetic exchange interaction between two Co2+ (S = 3/2) metal centers within a duster.
}, issn = {0020-1669}, doi = {10.1021/ic1017246}, author = {Pachfule, Pradip and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000293826800006, title = {Structural, magnetic and mossbauer spectral studies of nanocrystalline Ni0.5Zn0.5Fe2O4 ferrite powders}, journal = {Journal of Alloys and Compounds}, volume = {509}, number = {37}, year = {2011}, month = {SEP}, pages = {8999-9004}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Nanocrystalline Ni0.5Zn0.5Fe2O4 powders, synthesized by a combustion method are investigated by X-ray diffraction, vibrating sample magnetometry and Mossbauer spectroscopic techniques. We adopt a strategy to systematically control the particle sizes between 4 and 45 nm simply by changing the elemental stoichiometric coefficient, Phi(e), of the combustion mixture. Curie temperature of the superparamagnetic particles of size 4 nm is higher than that of the bulk particles. Interestingly, bigger particles (45 nm) show a comparable room temperature saturation magnetization and exceptionally very high Curie temperature of 833 K, when compared to that of the bulk Ni0.5Zn0.5Fe2O4 material (563 K). (C) 2011 Elsevier B. V. All rights reserved.
}, keywords = {Chemical synthesis, Magnetisation, Mossbauer spectroscopy, Nanostructured materials}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2011.06.047}, author = {Verma, Seema and Joy, Pattayil Alias and Kurian, Sajith} } @article { ISI:000287175600029, title = {Structure and gas sorption behavior of a new three dimensional porous magnesium formate}, journal = {Inorganic Chemistry}, volume = {50}, number = {4}, year = {2011}, month = {FEB}, pages = {1392-1401}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new three-dimensional magnesium formate polymorph, namely, gamma-[Mg-3(O2CH)(6)] has been synthesized via in situ formate anion generation method. gamma-Mg-formate crystallizes in space group Pbcn, and structural determination by X-ray single crystal diffraction reveals a three-dimensional network of Mg2+ linked by formate anions. All formate anions possess similar binding mode to the metal center with one oxygen of a particular formate anion binds to one metal center (mu(1) oxygen) and other oxygen binds to two metal centers (mu(2) oxygen). N-2 adsorption studies indicate that the framework displays permanent porosity. The specific surface area of gamma-Mg-formate (BET, 120 m(2) gm(-1)) is lower than the alpha- polymorph (BET, 150 m(2) gm(-1)). However, the initial hydrogen uptake of gamma-Mg-formate reached almost 1.0 wt \% when the adsorbate pressure approached 760 Torr at 77 K. This is higher than the hydrogen uptake of alpha-Mg-formate (0.6 wt \%). gamma-Mg-formate, shows a moderate affinity and capacity for CO2 (3.4 angstrom kinetic diameter) at 298 K. The CO2 uptake at 760 Torr is 2.01 mmol gm(-1)(47.0 cc gm(-1)). Although this CO2 uptake is somewhat modest, it compares well with the CO2 uptake of several Mg-MOFs and ZIFs reported in the literature.
}, issn = {0020-1669}, doi = {10.1021/ic102057p}, author = {Mallick, Arijit and Saha, Subhadeep and Pachfule, Pradip and Roy, Sudip and Banerjee, Rahul} } @article { ISI:000287056000001, title = {Structure determination and dynamics of protein-RNA complexes by NMR spectroscopy}, journal = {Progress in Nuclear Magnetic Resonance Spectroscopy}, volume = {58}, number = {1-2}, year = {2011}, month = {FEB}, pages = {1-61}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, keywords = {Dynamics, NMR spectroscopy, Protein-RNA complex, Structure determination}, issn = {0079-6565}, doi = {10.1016/j.pnmrs.2010.10.001}, author = {Dominguez, Cyril and Schubert, Mario and Duss, Olivier and Ravindranathan, Sapna and Allain, Frederic H. T.} } @article { ISI:000288835000010, title = {Structure-property of thermoplastic polyurethane-clay nanocomposite based on covalent and dual-modified laponite}, journal = {Journal of Computational and Theoretical Nanoscience}, volume = {4}, number = {1}, year = {2011}, month = {JAN}, pages = {65-73}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Modification of surface of clay platelets by ionic and covalent modification techniques renders it to be easily dispersed in polymers like, Thermoplastic Polyurethane (TPU). Only ionic or covalent modification techniques in isolation are not sufficient to achieve uniform nanoscale dispersion of Laponite (synthetic hectorite nanoclay) in TPU. Hence, the dual modification of Laponite (both ionic and covalent) is performed and the effects of the modification on the morphology, thermal and rheological behaviors of the TPU-modified clay nanocomposites have been studied. The degree of exfoliation of clay platelet in TPU matrix is found to be higher for dual functionalized nanoclays compared to their singly modified counterparts. Interestingly, dual modified Laponite clays prepared by using two different techniques (ionic followed by covalent and covalent followed by ionic) exhibit different morphology and properties. The dual modified clays significantly alter the equilibrium morphology of TPU. The storage modulus of the dual modified Laponite-TPU nanocomposite in the glassy region (at -60 degrees C) land in the rubbery region (+98 degrees C) is improved by 172.8\% and 85\%, respectively as compared to the neat TPU. Similarly, the onset of degradation is found to be enhanced by 28.7 degrees C as compared to the neat TPU.
}, keywords = {Dual modification, Laponite Nanocomposite, Morphology, Structure-Property, Thermoplastic polyurethane}, issn = {1936-6612}, doi = {10.1166/asl.2011.1174}, author = {Mishra, Ananta K. and Rajamohanan, P. R. and Nando, Golok B. and Chattopadhyay, Santanu} } @article {42529, title = {Studies on [3]pseudorotaxane formation from a bis-azacrown derivative as host and imidazolium ion-derivatives as guest}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, year = {2011}, month = {MAR}, pages = {4811-4817}, abstract = {
A new host molecule, having two azacrown derivatives bridged by luminescent naphthalene diimide functionality, is found to form a [3]pseudorotaxane derivative with imidazolim ion-based guest molecules in non-polar solvents through hydrogen-bonded adduct formation. Depending upon the length of the covalent linker that links the imidazolium ion and the luminescent naphthalene fragment in the guests, the [3]pseudorotaxane adducts adopt different conformation or orientation with varying π{\textendash}π/donor{\textendash}acceptor interaction. The mechanism for the naphthalene-based luminescence quenching by NDI fragment on adduct formation was found to be a combination of static, as well as dynamic with static quenching as the dominant one.
}, doi = {10.1039/C0OB01106A}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Das, Amitava} } @article { ISI:000298175400040, title = {Studies on the feasibility of recycled polystyrene doped with NLO active meta-Nitroaniline for optoelectronics applications}, journal = {Polymers for Advanced Technologies}, volume = {22}, number = {12}, year = {2011}, month = {DEC}, pages = {1865-1871}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A Guest-Host system based on meta-Nitroaniline (m-NA) and recycled polystyrene (RPS) susceptible to generate nonlinear optically (NLO) active property such as second harmonic generation (SHG) has been prepared. Pure, sublimed, optical grade, crystalline m-NA is used as a guest and RPS from the disposable packaging waste as available utilized as the host polymer. In this paper we report the effect of NLO active m-NA on the bulk and optical properties of RPS. The purified m-NA was incorporated from 1-10 wt\% in the RPS polymer matrix by conventional solution casting method. Thin, transparent, freestanding films obtained were characterized with optical microscope, scanning electron microscope (SEM), viscosity measurement, and UV-Visible (UV-Vis) spectroscopy for bulk properties evaluation and Nd:YAG laser studies for optoelectronics application such as SHG through frequency doubling. Copyright (C) 2010 John Wiley \& Sons, Ltd.
}, keywords = {frequency doubling, guest-host NLO systems, meta-Nitroaniline, nonlinear optical activity, Polystyrene, second harmonic generation}, issn = {1042-7147}, doi = {10.1002/pat.1685}, author = {Sureshkumar, M. S. and Goyal, R. K. and Negi, Y. S. and Pratheepkumar, A. and Reddy, K. Raghunatha and Singh, R. P. and Dadge, Jagdish W. and Aiyer, Rohini C.} } @article { ISI:000287338100007, title = {Surface effects on morin transition, exchange bias, and enchanced spin reorientation in chemically synthesized DyFeO3 nanoparticles}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {7}, year = {2011}, month = {FEB}, pages = {2954-2960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A giant linear magnetoelectric effect was observed by Y. Tokura{\textquoteright}s group recently in multiferroic DyFeO3, which demands a detailed investigation of its magnetic properties. Additionally, there is little information on the changes of chemical and physical properties of these materials with the reduction in particle size in spite of the potential applications of these materials nanoscale devices. As the wet-chemical synthesis of these materials in nanosize and getting a control over crystallinity and stoichiometry is nontrivial and poses a serious challenge prohibiting the study of their size-dependent properties. Here, we report the synthesis of DyFeO3 nanoparticles using a surfactantless hydrothermal method with a detailed magnetic property measurement. The as-synthesized DyFeO3 nanoparticles showed excellent crystallinitywith average particle size in the range 50-60 nm. The structural analysis indicated that they are of a distorted orthorhombic pervoslcite crystal structure. Detailed dc magnetization measurements in the temperature range of 3-350 K could isolate the presence of Dy3+-Fe3+ and Dy3+-Dy3+ superexchange interactions, which showed up as spin reorientation transitions in various temperature regions due to the differing magnitude of their interactions resulting in continuous rotation of antiferromagnetic component of Fe3+ spins with cooling of the sample. Nanosized DyFeO3 showed spin-reorientation transitions near 315 and 70K due to the Dy3+-Fe3+ interaction accompanied with an opening up of the hysteresis loop followed by antiferromagnetic ordering around 4 K due to a possible Dy3+-Dy3+ interaction. We also observed significant effect of the particle size reduction on the magnetic properties. The main effects seen. by us were in terms of (1) pronounced spontaneous spin reorientation transitions, (2) the absence of Morin transition, and (3) presence of temperature-dependent exchange bias in the DyFeO3 nanoparticles. We present a detailed mechanism to explain these features based on the interplay of Dy3+ and Fe3+ spins as well surface disorder, anisotropy, canting, and so forth.
}, issn = {1932-7447}, doi = {10.1021/jp109313w}, author = {Jaiswal, Adhish and Das, Raja and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000294982800015, title = {Surfactant tunable hierarchical nanostructures of CdIn2S4 and their photohydrogen production under solar light}, journal = {International Journal of Hydrogen Energy}, volume = {36}, number = {18}, year = {2011}, month = {SEP}, pages = {11628-11639}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The hierarchical nanostructures of CdIn2S4 were selectively prepared through hydrothermal process in the presence of different surfactants. Structural study demonstrated existence of cubic spinel structure and micro structural study shown a pretty marigold flower like morphology without any surfactant. The effect of surfactants on the morphology and microstructure of CdIn2S4 has been studied by using Polyvinyl pyrrolidone (PVP) and Cetyltrimethyl ammonium bromide (CTAB) as a surfactants. The CdIn2S4 bipyramids with length of 0.7-1 mu m have been obtained using PVP. Interestingly, the nanopetals (thin and transparent) of CdIn2S4 are self assembled into hollow spheres in the presence of CTAB. Considering the importance of these unique nanostructures, the growth mechanism has also been proposed. The optical properties demonstrated the band gap in the range of 2.12-2.29 eV which is well within the visible region. In this contest, photocatalytic activity for hydrogen production using the above nanostructures under visible light was also demonstrated. The prima-fascia observations shows that the bipyramidal CdIn2S4 exhibit excellent photocatalytic activity for hydrogen production (3238 mu molh(-1)) than other nanostructures. Being a nanostructured semiconductor chalcogenide with a good stability will also have potential applications in solar cells and LED. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Bipyramids, CdIn2S4, Hydrogen generation, hydrothermal, Self-assembled}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2011.06.061}, author = {Bhirud, Ashwini P. and Chaudhari, Nilima and Nikam, Latesh and Sonawane, Ravindra and Patil, Kashinath and Baeg, Jin-Ook and Kale, Bharat} } @article { ISI:000290075500029, title = {Syntheses and biological evaluation of new triazole-spirochromone conjugates as inhibitors of mycobacterium tuberculosis}, journal = {Tetrahedron Letters}, volume = {52}, number = {18}, year = {2011}, month = {MAY}, pages = {2387-2389}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A series of novel 1,2,3-triazole fused spirochromone conjugates have been synthesized bearing both spirochromone moiety as well as a 1,2,3-triazole moiety. Some of the compounds have exhibited potential activity against Mycobacterium tuberculosis (virulent strain H37Rv). In particular 5e proved to be the most potent derivative exhibiting MIC = 0.78 mu g/mL. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Antitubercular activity, Click chemistry, Mycobacterium tuberculosis, Spirochromones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.02.099}, author = {Muthukrishnan, Murugan and Mujahid, Mohammad and Yogeeswari, P. and Sriram, D.} } @article {42451, title = {Synthesis and application of a chiral diborate}, journal = {Journal of Organic Chemistry}, volume = {76}, year = {2011}, month = {MAR}, pages = {2324{\textendash}2327}, abstract = {
A chiral diborate with different counterions is reported whose structure was unambiguously confirmed by X-ray analysis. This chiral dianion was used in the resolution of trans-1,2-diamines and also as a chiral shift reagent for NMR analysis of triphenylphosphonium salts.
}, doi = {10.1021/jo102559s}, author = {Loewer, Yvonne and Weiss, Christine and Biju, Akkattu T. and Frohlich, Roland and Glorius, Frank} } @article { ISI:000296674400011, title = {Synthesis and characterization of bifunctional ethenylene bridged mesoporous organoaluminosilicates}, journal = {Nanoscience and Nanotechnology Letters}, volume = {3}, number = {4}, year = {2011}, month = {AUG}, pages = {497-502}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Bifunctional mesoporous organosilicas having -CH=CH- bridges and aluminium in tetrahedral coordination with tailorable pore sizes have been synthesized using a one-step templating method using cationic surfactants of different chain lengths. Unlike the conventional EtOH-HCl template extraction process, EtOH-NH(4)NO(3) was used as the surfactant-extracting medium and chemical analysis results suggest that through this procedure the mesoporous structure can be retained and dealumination can be minimized. The surfactant-extracted mesoporous solids display high surface area, pore volume and the pore size of the material varies in the range 2.6-3.6 nm, with respect to the alkyl chain length of the cationic surfactant. XRD and nitrogen physisorption studies further proved that the organosilicas are hydro thermally stable than the conventional Al-MCM-41 materials and their better stability is attributed to the thick pore walls as well as due to the presence of hydrophobic bridging ethenylene groups in the wall positions. The coupling of Al(4) with -CH=CH- bridges offer new prospects for the application of periodic mesoporous organosilicas in heterogeneous catalysis.
}, keywords = {Aluminium, Cationic Surfactants, Hydrothermal stability, Organosilicas}, issn = {1941-4900}, doi = {10.1166/nnl.2011.1196}, author = {Shylesh, S. and Kapoor, Mahendra P. and Juneja, Lekh R. and Srilakshmi, Ch. and Singh, A. P.} } @article { ISI:000293519600027, title = {Synthesis and characterization of bile acid-based poly beta amino esters for paclitaxel delivery}, journal = {Journal of Applied Polymer Science}, volume = {122}, number = {1}, year = {2011}, month = {OCT}, pages = {220-232}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
New biodegradable poly beta amino esters were synthesized by the polymerization of Deoxycholic acid (DOCA) in all the structural planes by 1, 4 addition of Trimethylene dipiperidine (TMDP) to diacrylates of Deoxycholyl glycol, Methyl deoxycholate and Trimethylolpropane deoxycholate esters. H-1-NMR, C-13-NMR and IR studies confirmed presence of amine and Deoxycholyl units in polymers. XRD and TGA studies indicated that all the polymers were amorphous and thermostable up to 300 degrees C. DSC studies revealed glass transition temperature (T-g) in the range 70-80 degrees C. All the polymers degraded very slowly in the buffers of pH 1.1, 7.4 and 10 because of the hydrophobic nature of Deoxycholate units. These polymers also exhibited pH sensitivity due to the incorporation of amines along with Deoxycholate units in the backbone. P-Nitroaniline (PNA) release followed anomalous release kinetics. Paclitaxel (PTX) loaded nanospheres prepared from these polymers were spherical and uniform in the size range 75-250 nm and 0.4-1 mu depending upon the method of preparation. PTX loading was in the range 60-90\%, while release (up to 20-60\%) was sustained over a period of 100 h. (c) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 122: 220-232, 2011
}, keywords = {bile acid, biodegradable, Nanoparticles, Paclitaxel, poly beta amino esters}, issn = {0021-8995}, doi = {10.1002/app.34144}, author = {Gangwal, Jitendra J. and Kulkarni, Mohan G.} } @article { ISI:000298764800037, title = {Synthesis and characterization of CdS/PVA nanocomposite thin films from a complexing agent free system}, journal = {Materials Chemistry and Physics}, volume = {131}, number = {1-2}, year = {2011}, month = {DEC}, pages = {223-229}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
CdS/PVA nanocomposite thin films have been deposited on glass substrates by in situ thermolysis of precursors dispersed in polyvinyl alcohol (PVA). The synthetic technique reported in this study is free from complexing agent and hence no need to control the pH of the solution as in the case of conventional CBD. The as-prepared films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), UV-vis spectroscopy, and photoluminescence (PL) spectra. The XRD and SAED results indicated the formation of CdS nanoparticles with hexagonal phase in the PVA matrix. The photoluminescence and UV-vis spectroscopy revealed that CdS/PVA films showed quantum confinement effect. From the shift in optical band gap, particle sizes were calculated using effective mass approximation (EMA) method and it was found to be in agreement with the results obtained from TEM observations. The SEM results indicated that as grown films were homogeneous with no visible pinholes and cracks. The film prepared at 100 degrees C was found to be suitable for application as a window layer in solar cell. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {CdS/PVA, Nanocomposite, Optical properties, Thermolysis}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2011.09.011}, author = {Saikia, Dulen and Saikia, P. K. and Gogoi, P. K. and Das, M. R. and Sengupta, P. and Shelke, M. V.} } @article { ISI:000287058100062, title = {Synthesis and characterization of chemically deposited nickel substituted CdSe thin film}, journal = {Journal of Alloys and Compounds}, volume = {509}, number = {6}, year = {2011}, month = {FEB}, pages = {2948-2951}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The technologically important Cd(0.5)Ni(0.5)Se thin film has been developed by solution growth technique on non-conducting glass substrate in tartarate bath containing Cd(+2), Ni(+2) ions and sodium selenosulphate in an aqueous alkaline medium at room temperature. Various preparative conditions of the thin films are outlined. The films were characterized by X-ray diffraction, scanning electron microscope, optical absorption and electrical measurements. The X-ray diffraction study indicates that the film is polycrystalline in nature with hexagonal phase. Scanning electron micrograph shows that the film is homogeneous with well-defined grains. The films have high optical absorption coefficient. Thermoelectric power measurement shows p-type conduction mechanism. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Chemical synthesis, Crystal growth, Electrical conductivity, thin film}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2010.11.165}, author = {Hankare, P. P. and Jadhav, B. V. and Chate, P. A. and Sathe, D. J. and Mulla, Imtiaz S.} } @article {42786, title = {Synthesis and characterization of cholesteric thermotropic liquid crystalline polyesters based on isosorbide}, journal = {Materials Sciences and Applications}, volume = {2}, year = {2011}, month = {OCT}, pages = {1520-1527}, abstract = {
Generally main chain cholesteric thermotropic liquid crystalline polymers are prepared form chiral dia-cid or diol monomer. But these monomers are costly. Isosorbide is chiral cycloaliphatic diol accessible from renewable resources in the form of pure enantiomers. Thus it is used to synthesize main chain cholesteric thermotropic liquid crystalline polymers. Incorporation of phenyl hydroquinone into the backbone of the main chain frustrates chain pack-ing, thus lowering the crystallinity and depressing the melting point below the degradation temperature, also improves the solubility due to disruption of packing and maintains the mechanical and thermal performance. Results: Optical microscopy study reveals that more than 50\% of isosorbide content with phenyl hydroquinone and terephthalic acid showed {\textquotedblleft}yellow iridescent oily streaks{\textquotedblright} with a background of mosaic/marble texture. These are the typical textures of cholesteric liquid crystalline phase. Copolyesters based on phenyl hydroquinone, isosorbide and terephthalic acid are soluble in aprotic solvents like N,N-dimethylacetamide (DMAC), dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), and N-methyl-2-pyrrolidone (NMP). Solubility increases with the content of isosorbide percent. Thermal stabil-ity of all copolyesters was more than 300oC on the basis of 10 wt\% loss. Conclusions: It was found that main chain cholesteric thermotropic liquid crystalline polymers can be prepared form chiral cycloaliphatic diol such as isosorbide. Main chain cholesteric thermotropic liquid crystalline polyesters are prepared from phenyl hydroquinone, isosorbide and terephthalic acid showed thermal stability more than 300oC. Main chain cholesteric thermotropic liquid crystalline polymers are soluble in aprotic solvents like DMAC, DMSO, DMF and NMP
}, keywords = {Cholesteric, Crystallinity, differential scanning calorimetry, Inherent Viscosity, Liquid Crystalline Polymers, Optical Microscopy, Solubility and Solution Polycondensation, Thermo Gravimetric Analysis, thermotropic, Wide Angle X-Ray Diffraction}, doi = {10.4236/msa.2011.210205}, author = {Chavan, Nayaku} } @article { ISI:000292555200034, title = {Synthesis and characterization of cobalt substituted zinc ferri-chromites prepared by sol-gel auto-combustion method}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {22}, number = {8}, year = {2011}, month = {AUG}, pages = {1109-1115}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Mixed metal oxides having spinel structure shows interesting structural properties. In the present investigation, cobalt substituted zinc ferri-chromites were prepared by sol-gel auto-combustion method. The completion of solid state reaction and the formation of spinel phase were identified using X-ray diffraction technique. All the compounds exhibit cubic spinel symmetry and lattice constant shows an irregular trend with substitution of Co. Infra-red spectral studies shows an two strong bands, one around 600 cm(-1) which is attributed to the intrinsic vibrations of tetrahedral complexes and the other at 400 cm(-1) is due to octahedral one. The morphology and size of the particles was found out by scanning electron microscopy while the elemental compositions by elemental dispersive X-ray spectroscopy. The various compounds of the present system Zn1-xCoxFeCrO4 were also investigated for their thermal and electronic studies.
}, issn = {0957-4522}, doi = {10.1007/s10854-010-0268-7}, author = {Hankare, P. P. and Vader, V. T. and Sankpal, U. B. and Patil, R. P. and Jadhav, A. V. and Mulla, Imtiaz S.} } @article { ISI:000297269700002, title = {Synthesis and characterization of new organosoluble aromatic polyamides and polyazomethines containing pendent pentadecyl chains}, journal = {High Performance Polymers}, volume = {23}, number = {7}, year = {2011}, month = {NOV}, pages = {494-505}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {
New aromatic polyamides and polyazomethines containing pendent pentadecyl chains were synthesized by polycondensation of pentadecylbenzene-1,3-diamine with (i) four commercially available aromatic diacids, viz., biphenyl-4,4{\textquoteright}dicarboxylic acid, 4,4{\textquoteright}-oxybisbenzoic acid, terephthalic acid and isophthalic acid, and (ii) dialdehydes, viz., terephthaldehyde, isophthaldehyde and a 50 : 50 mol\% mixture of terephthaldehyde, and isophthaldehyde, respectively. Inherent viscosities of polyamides and polyazomethines were in the range 0.35-0.56 dL g(-1) and 0.33-0.38 dL g(-1), respectively, indicating the formation of medium molecular weight polymers. The presence of pendent pentadecyl chains in polyamides and polyazomethines led to an improvement in their solubility in organic solvents. Polyamides could be cast into flexible, transparent and tough films from their solution in N,N-dimethylacetamide while polyazomethines could be solution cast into transparent, flexible and stretchable films from their CHCl(3) solution. (1)H-NMR studies based on amide proton signals and azomethine proton signals indicated the presence of constitutional isomerism in the polyamides and polyazomethines. Wide-angle X-ray diffraction patterns exhibited broad halo indicating that the polymers were amorphous in nature. X-ray diffractograms also displayed sharp reflections in the small angle region (2 theta approximate to 3 degrees) indicating the formation of layered structure arising from packing of flexible pentadecyl chains. The glass transition (T(g)) temperatures of polyamides were in the range 169-215 degrees C while T(g) values for polyazomethines were in the range 16-55 degrees C. The temperature for the 10\% weight loss of polyamides and polyazomethines were in the range 430-460 degrees C and 425-440 degrees C, respectively, in a nitrogen atmosphere, which indicated their good thermal stability. Polyazomethines were also characterized by UV-Vis and photoluminescence spectroscopy and optical band gap (E(g)) values, calculated according to the maximum of the UV absorption, were found to be in the range 2.82-3.10 eV.
}, keywords = {High performance polymers, optical band gap, polyamides, polyazomethines, solubility}, issn = {0954-0083}, doi = {10.1177/0954008311417316}, author = {Sadavarte, Nilakshi V. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article { ISI:000291613900071, title = {Synthesis and characterization of organo-soluble poly(ether ether ketone)s and poly(ether ether ketone ketone)s containing pendant pentadecyl chains}, journal = {Journal of Applied Polymer Science}, volume = {121}, number = {6}, year = {2011}, month = {SEP}, pages = {3689-3695}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Poly(ether ether ketone)s and poly(ether ether ketone ketone) s containing pendant pentadecyl chains were synthesized by polycondensation of each of the two bisphenol monomers viz, 1,1,1-[bis(4-hydroxyphenyl)-4{\textquoteright}-pentadecylphenyl] ethane and 1,1-bis(4-hydroxyphenyl)-3-pentadecyl cyclohexane with activated aromatic dihalides namely, 4,4{\textquoteright}-difluorobenzophenone, and 1,3-bis(4-fluorobenzoyl) benzene in a solvent mixture of N,N-dimethylacetamide and toluene, in the presence of anhydrous potassium carbonate. Polymers were isolated as white fibrous materials with inherent viscosities and number average molecular weights in the range 0.70-1.27 dL g(-1) and 76,620-1,36,720, respectively. Poly(ether ether ketone) s and poly(ether ether ketone ketone) s were found to be soluble at room temperature in organic solvents such as chloroform, dichloromethane, tetrahydrofuran, and pyridine and could be cast into tough, transparent, and flexible films from their solutions in chloroform. Wide angle X-ray diffraction patterns exhibited a broad halo at around 2 theta = similar to 19 degrees indicating that the polymers containing pentadecyl chains were amorphous in nature. In the small-angle region, diffuse reflections of a typically layered structures resulting from the packing of pentadecyl side chains were observed. The temperature at 10\% weight loss, obtained from TG curves, for poly(ether ether ketone) s and poly(ether ether ketone ketone) s were in the range 416-459 degrees C, indicating their good thermal stability. A substantial drop in glass transition temperatures (68-78 degrees C) was observed for poly(ether ether ketone) s and poly(ether ether ketone ketone) s due to {\textquoteleft}{\textquoteleft}internal plasticization{\textquoteright}{\textquoteright} effect of flexible pendant pentadecyl chains. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 121: 3689-3695, 2011
}, keywords = {alkyl side-chain, Cashew nut shell liquid, CNSL, pentadecyl, poly(arylene ether)s, poly(ether ketone)s, polyethers, renewable}, issn = {0021-8995}, doi = {10.1002/app.34181}, author = {More, Arvind S. and Pasale, Sharad K. and Honkhambe, Pandurang N. and Wadgaonkar, Prakash P.} } @article { ISI:000289692500038, title = {Synthesis and characterization of poly-L-lysine grafted SBA-15 using NCA polymerization and click chemistry}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {18}, year = {2011}, month = {APR}, pages = {6690-6697}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Poly-L-lysine (PLL) grafted ordered mesoporous material was prepared by a combination of NCA polymerization and click chemistry. Large pore SBA-15 with a mesopore diameter of similar to 12 nm was synthesized using a previously reported method. The surface of this SBA-15 material was modified with azidopropyl groups. This {\textquoteleft}{\textquoteleft}clickable{\textquoteright}{\textquoteright} SBA-15 was then reacted with an alkyne terminated poly-L-lysine synthesized by the ring-opening polymerization of 3-cbz-L-lysine NCA with N-TMS propargylamine as the initiator. This procedure allows grafting of a uniform polymer film with a high polymer loading. No appreciable pore blocking was observed upon grafting of PLL. No change in the periodic structure of the SBA-15 was observed throughout the grafting process. The SBA-15 PLL conjugate was characterized using (13)C and (29)Si NMR, XRD, FT-IR, N(2) adsorption-desorption and thermogravimetry. The results indicate that polypeptides can be easily grafted onto various ordered mesoporous materials by this {\textquoteleft}{\textquoteleft}grafting to{\textquoteright}{\textquoteright} methodology with accessible pores and high loadings of the polypeptide.
}, issn = {0959-9428}, doi = {10.1039/c0jm04589f}, author = {Kar, Mrityunjoy and Malvi, Bharmana and Das, Anindita and Panneri, Suyana and Sen Gupta, Sayam} } @article { ISI:000290038000005, title = {Synthesis and characterization of soluble polyamides from bis-[(4 {\textquoteleft}-aminobenzyl)-4-benzamide] ether and various diacids}, journal = {Polymer Bulletin}, volume = {66}, number = {9}, year = {2011}, month = {MAY}, pages = {1207-1218}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
New aromatic diamine containing preformed amide, ether, and methylene; bis-[(4{\textquoteright}-aminobenzyl)-4-benzamide] ether (BABE), was synthesized and characterized by FT-IR, NMR, and mass spectrometry. Aromatic-aliphatic polyamides were prepared from BABE with aliphatic/aromatic diacids via Yamazaki{\textquoteright}s polymerization. The polyamides were characterized by FT-IR, (1)H NMR, inherent viscosity [eta(inh)], solubility tests, differential scanning calorimetry [DSC], thermogravimetric analysis [TGA], and X-ray diffraction [XRD]. Polyamides had inherent viscosities 0.35-0.84 dL/g, soluble in aprotic polar solvents like N-methyl-2-pyrrolidone, N, N-dimethyl acetamide and dimethyl sulphoxide containing LiCl due to an amorphous to partially crystalline morphology; as XRD patterns indicated. DSC analysis of polyamides showed glass transition temperatures 166-268 A degrees C. Polyamides showed high thermal stability as they did not degrade below 300 A degrees C, had 10\% weight loss temperature higher than 375 A degrees C, and the char yields at 900 A degrees C were 22-55\%; indicating potential applications as engineering materials.
}, keywords = {Aryl-ether and methylene linkages, Bis-[(4 {\textquoteleft}-aminobenzyl)-4-benzamide] ether, Direct phosphorylative polycondensation, Soluble aromatic-aliphatic polyamides, Thermal properties}, issn = {0170-0839}, doi = {10.1007/s00289-010-0344-4}, author = {Patil, A. S. and Sayyed, M. M. and Bhairamadgi, Nagendra S. and Han, Sung-Hwan and Maldar, Noormahamad N.} } @article { ISI:000283805600011, title = {Synthesis and characterization of thermo-sensitive graft copolymer of carboxymethyl guar and poly(N-isopropylacrylamide)}, journal = {Carbohydrate Polymers}, volume = {83}, number = {1}, year = {2011}, month = {JAN}, pages = {74-80}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Thermo-responsive graft copolymers of carboxymethyl guar [CMG] and semitelechelic poly(N-isopropylacrylamide) [PNIPAm] were synthesized by coupling reaction between them using a water-soluble coupling agent namely, 1-(3-(dimethylamino) propyl)-3-ethyl carbodiimide hydrochloride [EDC]. The incorporation of PNIPAm into CMG was confirmed by FT-IR and NMR spectroscopy. The graft copolymers, CMG-g-PNIPAm showed enhanced viscosity as compared to the unmodified CMG in the semi-dilute regime. Due to the presence of a LCST side chains [PNIPAm], the graft copolymers exhibited thermo-responsive nature with respect to temperature which was investigated using pyrene fluorescence probe studies. Although the thermo-responsive property was observed, the thermo-thickening behavior was not seen in these polymers. The graft copolymers in the semi-dilute regime (C(p) approximate to 10-20 g/L) showed viscoelastic properties and the relaxation time, tau, could be obtained from the crossover of frequency (oh) of storage modulus (G{\textquoteright}) and loss modulus (G {\textquoteleft}{\textquoteright}) in the oscillatory experiments. The activation energy {\textquoteleft}E(a){\textquoteright} of associations was investigated using the time temperature superpsition (TTS). These thermo-responsive polymers along with the biodegradability of CMG can have potential application as industrial thickening agent. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {Carboxymethyl guar, Poly(N-isopropylacrylamide), Thermo-sensitivity and graft copolymer}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2010.07.023}, author = {Gupta, Nivika R. and Ghute, Pallavi P. and Badiger, Manohar V.} } @article { ISI:000287163600004, title = {Synthesis and drug-delivery behavior of chitosan-functionalized graphene oxide hybrid nanosheets}, journal = {Macromolecular Materials and Engineering}, volume = {296}, number = {2}, year = {2011}, month = {FEB}, pages = {131-140}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Chitosan-functionalized graphene oxides (FGOCs) were successfully synthesized. FGOCs were found to significantly improve the solubility of the GO in aqueous acidic media. The presence of organic groups was confirmed by means of XPS and TGA. Restoration of the sp(2) carbon network and exfoliation of graphene sheets were confirmed by Raman spectroscopy, UV-visible spectroscopy and WAXD. The SEM and AFM investigations of the resultant FGOCs showed that most of the graphene sheets were individual and few were layered. Controlled release behavior of Ibuprofen and 5-fluorouracil was then investigated. We found that FGOCs are a promising new material for biological and medical applications.
}, keywords = {Biocompatibility, Chitosan, drug delivery systems, functionalization of polymers, solution properties}, issn = {1438-7492}, doi = {10.1002/mame.201000307}, author = {Rana, Vijay Kumar and Choi, Myeon-Cheon and Kong, Jin-Yeon and Kim, Gwang Yeon and Kim, Mi Ju and Kim, Sun-Hee and Mishra, Satyendra and Singh, Raj Pal and Ha, Chang-Sik} } @article { ISI:000289003000012, title = {Synthesis and optical studies of GdCrO3 nanoparticles}, journal = {Journal of Nanoparticle Research}, volume = {13}, number = {3}, year = {2011}, month = {MAR}, pages = {1019-1027}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
{Here we report for the first time, a detailed synthesis mechanism of GdCrO3 nanoparticles using a surfactant-less hydrothermal method. We also report a detailed study of their structural and optical properties. The selected area electron diffraction and powder X-ray diffraction studies of GdCrO3 nanoparticles show pure phase and excellent crystallinity with average particle size around 50-60 nm. The structural analysis indicates a distorted perovskite crystal structure with lattice parameter values of a = 5.3099 +/- A 0.0022
}, keywords = {hydrothermal, Nanoparticles, Rare earth orthochromites}, issn = {1388-0764}, doi = {10.1007/s11051-010-0090-4}, author = {Jaiswal, Adhish and Das, Raja and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000286633000031, title = {Synthesis and photopolymerization kinetics of linear alicyclic urethane acrylate macromonomer in presence of reactive diluents}, journal = {Journal of Materials Science}, volume = {46}, number = {7}, year = {2011}, month = {APR}, pages = {2221-2228}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
This study deals with the photopolymerization of a macromonomer in the presence of reactive diluents using Photo Differential Scanning Calorimetry or Photo DSC. The kinetic profiles of these systems showed that the rate of photopolymerization rapidly increases at very early stages of the reaction. The rate of reaction was further found to increase with the addition of crosslinking agents. The addition of trifunctional crosslinking agent to the macromonomeric formulation resulted in a higher polymerization rate and conversion than that of a difunctional crosslinking agent. From the heat flow profiles, the kinetic parameters such as induction time, time to attain peak maximum, rate of maximum polymerization, and final conversion were noted for all the formulations. The initiation of photopolymerization was found to depend on the functionality while the in situ viscosity controlled the time scale for reaction diffusion which resulted in varying levels of conversions. Other parameters such as effect of temperature and concentration of photoinitiator on photocuring kinetics are also discussed.
}, issn = {0022-2461}, doi = {10.1007/s10853-010-5060-9}, author = {Harikrishna, Reghunathan and Bhosle, Sonali Madhavrao and Ponrathnam, S. and Rajan, C. R.} } @article { ISI:000294506200003, title = {Synthesis and structural characterization of a solvated dimorph of a hydrazonato-oxovanadium(v) complex with [OV(mu-O)VO] core}, journal = {Journal of the Indian Chemical Society}, volume = {88}, number = {7}, year = {2011}, month = {JUL}, pages = {937-941}, publisher = {SCIENTIFIC PUBL-INDIA}, address = {5-A, NEW PALI RD, PO BOX 91, NEAR HOTEL TAJ HARI MAHAL, JODHPUR, 342 003, INDIA}, abstract = {
In this paper we report the synthesis and structural characterization of a different monoclinic variety of the title complex [V2O3(L)(2)], incorporating the doubly deprotonated benzoyl hydrazone of 5-chloro-2-hydroxyacetophenone (H2L) with P2(1)/c space group that showed some differences in bonding patterns in the solid state with respect to its another monoclinic variety with C2/c space group reported earlier.
}, keywords = {crystal structure, dimorphism, hydrazone complex, Oxovanadium(v) complex}, issn = {0019-4522}, author = {Mondal, Bipul and Banerjee, Rahul and Ghosh, Tapas} } @article { ISI:000297737900020, title = {Synthesis and structural characterization of homochiral homo-oligomers of parent CIS- and trans-furanoid-beta-amino acids}, journal = {Chemistry-A European Journal}, volume = {17}, number = {46}, year = {2011}, month = {NOV}, pages = {12946-12954}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
The synthesis of homochiral homo-oligomers of cis- and trans-3-aminotetrahydrofuran-2-carboxylic acids (parent cis- and trans-furanoid-beta-amino acids, referred to as {\textquoteleft}{\textquoteleft}cis-/trans-FAA{\textquoteright}{\textquoteright}) has been carried out to understand their secondary structures and their dependence on the ring heteroatom. The oligomers of two diastereomers have been shown to have a distinct left-handed helicity. The cis-FAA homo-oligomers show a 14-helix structure, in contrast to the homo-oligomers of cis-ACPC, which adopt a sheet like structure. The trans-FAA homo-oligomers were found to adopt a 12-helix structure, the same trend found in trans-ACPC homo-oligomers. With the help of ab initio calculations, the structural features of cis-ACPC and cis-FAA hexamers were compared. We believe that the more compact packing of the cis-FAA hexapeptide should be due to a more favorable interaction between the ring and the backbone amide hydrogen.
}, keywords = {ab initio calculations, Amino acids, Density functional calculations, Peptides, secondary structures}, issn = {0947-6539}, doi = {10.1002/chem.201101855}, author = {Pandey, Sunil K. and Jogdand, Ganesh F. and Oliveira, Joao C. A. and Mata, Ricardo A. and Rajamohanan, Pattuparambil R. and Ramana, Chepuri V.} } @article { ISI:000288141700012, title = {Synthesis, characterisation of polymer-supported palladium-2-methylimidazole complex catalyst for the hydrogenation of aromatic nitro compounds}, journal = {Journal of Chemical Research}, number = {2}, year = {2011}, month = {FEB}, pages = {112-115}, publisher = {SCIENCE REVIEWS 2000 LTD}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {
A polymer-supported palladium-2-methylimidazole complex was synthesised and characterised by various physicochemical methods. The complex was successfully used as a catalyst for the hydrogenation of nitrobenzene and a few of its derivatives under ambient conditions. Results reveal that the electronic as well as the steric effects of the substitutent control the rate of hydrogenation of the nitro group in the studied nitro compounds. The kinetics of hydrogenation and the reusability of the catalyst were also studied.
}, keywords = {aromatic nitro compounds, Hydrogenation, polymer-supported complex catalyst, transition metal complexes}, issn = {1747-5198}, doi = {10.3184/174751911X556855}, author = {Velua, Udayakumar and Stanislaus, Alexander and Virupaiah, Gayathri and Shivakumaraiah and Patil, Kashinath Rangu and Balasubramanian, Viswanathan} } @article { ISI:000285956600023, title = {Synthesis, electronic structure, DNA and protein binding, DNA cleavage, and anticancer activity of fluorophore-labeled copper(II) complexes}, journal = {Inorganic Chemistry}, volume = {50}, number = {2}, year = {2011}, month = {JAN}, pages = {545-558}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Two mononuclear fluorophore-labeled copper(II) complexes [Cu(nip)(acac)](+) (2) and [Cu(nip)(2)](2+) (3), where fluorophore is 2-(naphthalen-1-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (nip) (1) and acac is acetylacetone, have been synthesized aid characterized by various techniques. The ligand 1 and complex 2 are structurally characterized by single-crystal X-ray diffraction. The coordination geometries around the copper are square planar in solid as well as solution state as evidenced by electron paramagnetic resonance (EPR) spectroscopy. The density functional calculations carried out on 1-3 have shown that electron-rich regions in the highest occupied orbital are localized on the naphthalene end partly on the phenanthroline moiety. Both complexes 2 and 3 in dimethyl sulfoxide (DMSO) exhibit near square planar structure around the metal ion in their ground state. Time-dependent density functional theory (TD-DFT) calculations reveal that Cu(II) ion in complex 2 shows tetrahedral coordination around the metal while 3 retains its square planar geometry in the lowest excited state. The interaction of complexes with calf-thymus DNA (CT DNA) has been explored by using absorption, emission, thermal denaturation, and viscosity studies, and the intercalating mode of DNA binding has been proposed. The complexes cleave DNA oxidatively without any exogenous additives. The protein binding ability has been monitored by quenching of tryptophan emission in the presence of complexes using bovine serum albumin (BSA) as model protein. The compounds showed dynamic quenching behavior. Further, the anticancer activity of the complexes on MCF-7 (human breast cancer), HeLa (human cervical cancer), HL-60 (human promyelocytic leukemia), and MCF-12A (normal epithelial) cell lines has been studied. It has been observed that 3 exhibits higher cytotoxicity than 2, and the cells undergo apoptotic cell death.
}, issn = {0020-1669}, doi = {10.1021/ic101534n}, author = {Bhat, Satish S. and Kumbhar, Anupa A. and Heptullah, Hussain and Khan, Ayesha A. and Gobre, Vivekanand V. and Gejji, Shridhar P. and Puranik, Vedavati G.} } @article { ISI:000293939800014, title = {Synthesis of bis-allyloxy functionalized polystyrene and poly (methyl methacrylate) macromonomers using a new ATRP initiator}, journal = {European Polymer Journal}, volume = {47}, number = {8}, year = {2011}, month = {AUG}, pages = {1621-1629}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A new bis-allyloxy functionalized ATRP initiator, viz, 4,4-bis (4-(allyloxy) phenyl) penty1-2-bromo-2-methylpropanoate was synthesized starting from commercially available 4,4-bis (4-hydroxyphenyl) pentanoic acid. Atom transfer radical polymerization of styrene in bulk and that of methyl methacrylate in anisole using CuBr/N,N,N{\textquoteright},N{\textquoteright},N {\textquoteleft}{\textquoteright}-pentamethyldiethyl-enetriamine system was carried out. The kinetic study of styrene polymerization showed controlled polymerization behavior. Bis-allyloxy functionalized well-defined polystyrene (M(n)(GPC): 13,600-28,250, PDI: 1.07-1.09) and poly (methyl methacrylate) (M(n)(GPC): 10,100-18,450, PDI: 1.23-1.34) macromonomers were obtained. The presence of allyloxy functionality was confirmed by (1)H NMR spectroscopy. The reactivity of allyloxy functionality was demonstrated by carrying out organic reactions such as addition of bromine and hydrosilylation on polystyrene macromonomer. Polystyrene macromonomer with bis-allyloxy functionality was transformed into bis-epoxy functionalized polystyrene macromonomer using 3-chloroperoxybenzoic acid. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Allyloxy end-functional polymer, Atom transfer radical polymerization (ATRP), Macromonomers, Poly (methyl methacrylate), Polystyrene}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2011.05.012}, author = {Sane, Prakash S. and Palaskar, Dnyaneshwar V. and Wadgaonkar, Prakash P.} } @article { ISI:000289330000005, title = {Synthesis of C1- and C8a-epimers of (+)-castanospermine from D-glucose derived gamma,delta-epoxyazide: intramolecular 5-endo epoxide opening approach}, journal = {Tetrahedron}, volume = {67}, number = {15}, year = {2011}, month = {APR}, pages = {2773-2778}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A concise synthesis of two diastereomers of (+)-castanospermine namely 1- and 8a-epi-castanospermine 1b and 1c, respectively, is reported from D-glucose. The methodology involves stereoselective cross metathesis of D-glucose derived alkene 2 with 4-bromo-1-butene followed by azide displacement and m-CPBA oxidation to afford diastereomeric gamma,delta-epoxyazides 5a/5b. The Staudinger reaction of epoxyazide 5a followed by reaction with benzylchloroformate (CbzCl) unexpectedly furnished 1,3-oxazinan-2-one derivative 7 whose stereochemistry was establish by single crystal X-ray. This helps to assign the stereochemistry in the epoxidation reaction. The reduction of 5a/5b was then carried out by transfer hydrogenation to provide gamma,delta-epoxyamine that concomitantly undergoes intramolecular 5-endo-tet cyclization to afford hydroxypyrrolidine ring skeleton with sugar framework-a precursor to castanospermine analogues 1b/1c. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {alkaloids, Cross metathesis, D-Glucose, Epoxide, Oxazinanone, Polyhydroxy indolizidines}, issn = {0040-4020}, doi = {10.1016/j.tet.2011.02.030}, author = {Kalamkar, Navnath B. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000291293600027, title = {Synthesis of cube-shaped gold nanostructures by electron irradiation}, journal = {Materials Letters}, volume = {65}, number = {11}, year = {2011}, month = {JUN}, pages = {1605-1607}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The needle-like gold nanostructures were synthesized by using chloroauric acid (HAuCl(4)) as a metal precursor and sodium borohydride (NaBH(4)) as the reducing agent. These needle-like nanostructures of gold were irradiated with high energy electrons (E-6 MeV, phi similar to 10(12) e cm(-2) s(-1)). The pre- and post-irradiated gold nanostructures were characterized by Scanning Electron Microscopy (SEM), UV-vis spectroscopy, X-ray Diffraction (XRD) and contact angle measurement (GBX-Model Digidrop) techniques. The results of the SEM revealed that after electron irradiation, the needle-like gold structures got fragmented into identical cube-shaped gold nanostructures, though of different sizes. The XRD analysis indicated that the average crystallite size of the gold nanostructures remained unchanged even after irradiation with high energy electrons. A glass surface showed hydrophilic behavior when coated with needle-like nanostructures and became ultra hydrophilic when coated with cube-shaped gold nanostructures. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Gold nanostructures, High energy electron irradiation, Nanostructured materials, Radiation damage, Surfaces, Ultra hydrophilic surfaces}, issn = {0167-577X}, doi = {10.1016/j.matlet.2011.02.053}, author = {Dhumale, Vinayak A. and Gangwar, Rajesh K. and Shah, Preeti V. and Bhoraskar, Vasant N. and Mulla, Imtiaz S. and Sharma, Rishi B.} } @article { ISI:000291725100012, title = {Synthesis of Cu-ZnO and C-ZnO nanoneedle arrays on zinc foil by low temperature oxidation route: effect of buffer layers on growth, optical and field emission properties}, journal = {Applied Surface Science}, volume = {257}, number = {20}, year = {2011}, month = {AUG}, pages = {8366-8372}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Different densities of ZnO nanoneedle films have been prepared by pre-coated zinc foils with thin layer of copper and carbon followed by thermal oxidation at 400 degrees C in air. The X-ray diffraction patterns show well defined peaks, which could be indexed to the wurtzite hexagonal phase of ZnO. The scanning electron microscope images clearly reveal formation of ZnO needles on the entire substrate surface. The X-ray photoelectron spectroscopy studies indicate that Cu and C ions are incorporated into the ZnO lattice. Photoluminescence studies evaluate different emission bands originated from different defect mechanism. From the field emission studies, the threshold field, required to draw emission current density of similar to 100 mu A/cm(2), is observed to be 2.25 V/mu m and 1.57 V/mu m for annealed zinc foil pre-coated with copper and carbon, respectively. The annealed film with copper layer exhibits good emission current stability at the pre-set value of similar to 100 mu A over a duration of 4 h. The results show that buffer layer is an important factor to control the growth rate, resulting in different density of ZnO needles, which leads to field emission properties. This method may have potential in fabrication of electron sources for high current density applications. (C) 2011 Elsevier B. V. All rights reserved.
}, keywords = {Buffer layer, Carbon, Copper, field emission, Nanoneedle, ZnO}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2011.04.023}, author = {Jamali-Sheini, Farid and Patil, K. R. and Joag, Dilip S. and More, Mahendra A.} } @article { ISI:000288386700006, title = {Synthesis of glycopolypeptides by the ring opening polymerization of O-glycosylated-alpha-amino acid N-carboxyanhydride (NCA)}, journal = {Polymer Chemistry}, volume = {2}, number = {4}, year = {2011}, month = {FEB}, pages = {805-811}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The novel synthesis of O-glycosylated lysine-NCA from a stable glycosyl donor and a commercially available protected amino acid in very high yield is reported. These O-glycosylated lysine-NCA monomers underwent ring opening polymerization using simple primary amine initiators to form well defined, high molecular weight homoglycopolypeptides and diblock co-glycopolypeptides. The synthesis of azide labelled end functionalized glycopolypeptides and amphiphilic diblock copolypeptides is also reported. This methodology represents an easy and practical route to the synthesis of O-glycosylated polypeptides with 100\% glycosylation.
}, issn = {1759-9954}, doi = {10.1039/c0py00412j}, author = {Pati, Debasis and Shaikh, Ashif Y. and Hotha, Srinivas and Sen Gupta, Sayam} } @article { ISI:000288393700001, title = {Synthesis of gold nanoparticles by various leaf fractions of Semecarpus anacardium L. tree}, journal = {Trees-Structure and Function}, volume = {25}, number = {2}, year = {2011}, month = {APR}, pages = {145-151}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
Gold nanoparticles (NPs) were synthesized using Semecarpus anacardium leaf extracts in water and the green biomass. Extract prepared at ambient condition by crushing the leaves in deionized water is identified as {\textquoteleft}green extract{\textquoteright}, and that by boiling the leaf pieces as {\textquoteleft}boiled extract{\textquoteright}. The mass remaining after separating the {\textquoteleft}green extract{\textquoteright} is identified as {\textquoteleft}green biomass{\textquoteright}. These components triggered rapid reduction of Au(III) to Au (0) in HAuCl4 solution indicating the natural ability of the leaves of S. anacardium to synthesize NPs in ambient conditions. Green extract produced more NPs compared to the boiled extract suggesting denaturization of some of the useful factors due to boiling. NPs were quantified using UV and ICP-AES analysis. These were characterized using Transmission electron microscopy, Fourier transform infrared spectroscopy and X-ray diffraction. TEM images of the particles formed with green extract, boiled extract and green biomass showed that the particles were of different shapes and sizes.
}, keywords = {Biosynthesis, gold nanoparticles, Green extract, Semecarpus, TEM}, issn = {0931-1890}, doi = {10.1007/s00468-010-0493-y}, author = {Raju, D. and Mehta, Urmil J. and Hazra, Sulekha} } @article { ISI:000286577400023, title = {Synthesis of molluscicidal agent cyanolide a macrolactone from D-(-)-pantolactone}, journal = {Journal of Organic Chemistry}, volume = {76}, number = {3}, year = {2011}, month = {FEB}, pages = {963-966}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An efficient synthesis of potent molluscicidal agent cyanolide A, a glycosidic 16-membered macrolide, starting from D-(-)-pantolactone is reported. Highly stereoselective aldol, oxa-Michael addition, and Yamaguchi macrolactonization are the key steps in the present synthesis.
}, issn = {0022-3263}, doi = {10.1021/jo101782q}, author = {Hajare, Atul K. and Ravikumar, Velayutham and Khaleel, Shaik and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000293436100018, title = {Synthesis of novel dihydrooxazine and oxazoline based sugar hybrids from sugar azides}, journal = {Tetrahedron Letters}, volume = {52}, number = {33}, year = {2011}, month = {AUG}, pages = {4313-4315}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A convenient one-step method for the synthesis of novel dihydrooxazine and oxazoline based sugar hybrids is reported starting from the readily accessible sugar azides and aldehydes. We have used Aube{\textquoteright}s protocol to achieve this transformation. The resulting glycoconjugates could be used to increase the diversity on the sugar backbone and may find applications as potential glycomimetics and in drug discovery. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Dihydrooxazine, Glycoconjugate, Hydroxy azide, Oxazoline, Sugar azide, Sugar hybrids}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.06.035}, author = {Kurhade, Suresh E. and Ravula, Sudhir and Siddaiah, V. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article {42720, title = {Synthesis of peptides and pyrazines from beta-aminoalcohols via extrusion of H2 catalyzed by ruthenium pincer complexes. ligand controlled selectivity}, journal = {Angewandte Chemie}, volume = {123}, year = {2011}, month = {OCT}, pages = {12448{\textendash}12452}, abstract = {
Bitte w{\"a}hlen: Die Wahl des Katalysators, eines Ru-Pinzettenkomplexes, bestimmt, ob Peptide oder Pyrazine aus β-Aminoalkoholen entstehen: Der PNN-Komplex 1 f{\"u}hrt, je nach Substituent R (siehe Schema), zu linearem Polyalanin oder zu cyclischen Dipeptiden, der PNP-Komplex 2 katalysiert die Bildung von Pyrazinen. Die Reaktionen finden in homogener L{\"o}sung unter neutralen Bedingungen statt.
}, doi = {10.1002/ange.201105876}, author = {Gnanaprakasam, Boopathy and Balaraman, Ekambaram and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000295187300051, title = {Synthesis of poly-L-glutamic acid grafted silica nanoparticles and their assembly into macroporous structures}, journal = {Langmuir}, volume = {27}, number = {19}, year = {2011}, month = {OCT}, pages = {12124-12133}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Polypeptide-coated silica nanoparticles represent an interesting class of organic inorganic hybrids since the ordered secondary structure of the polypeptide grafts imparts functional properties to these nanoparticles. The synthesis of a poly-L-glutamic acid (PLGA) silica nanoparticle hybrid by employing N-carboxyanhydride (NCA) polymerization to synthesize the polypeptide chains and Cu catalyzed azide alkyne cycloaddition reaction to graft these chains onto the silica surface is reported. This methodology enables the synthesis of well-defined polypeptide chains that are attached onto the silica surface at high surface densities. The PLGA-silica conjugate particles are well dispersed in water, and have been thoroughly characterized using multinuclear (C-13, Si-29) solid state NMR, thermogravimetric analysis, Fourier transform infrared, dynamic light scattering, and transmission electron microscopy. The pH-dependent reversible aggregation of the PLGA-silica particles, driven by the change in PLGA structure, has also been studied. Preliminary results on the use of aqueous dispersions of silica-PLGA for the preparation of three-dimensional macroporous structures with oriented pores by ice templating methodology are also demonstrated. These macroporous materials, comprising a biocompatible polymer shell covalently attached to rigid inorganic cores, adopts an interesting lamellar structure with fishbone-type architecture.
}, issn = {0743-7463}, doi = {10.1021/la202036c}, author = {Kar, Mrityunjoy and Pauline, Minois and Sharma, Kamendra and Kumaraswamy, Guruswamy and Sen Gupta, Sayam} } @article { ISI:000288950300006, title = {Synthesis of (R)-selegiline via hydrolytic kinetic resolution}, journal = {Synthetic Communications}, volume = {41}, number = {9}, year = {2011}, month = {MAR}, pages = {PII 935777980}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
[image omitted] A short and enantioselective formal synthesis of (R)-selegiline has been achieved using Jacobsen{\textquoteright}s hydrolytic kinetic resolution (HKR) of phenyl propylene oxide.
}, keywords = {Cobalt-based chiral salen complex, Hydrolytic kinetic resolution, MAO inhibitors, phenyl propylene oxide, selegiline}, issn = {0039-7911}, doi = {10.1080/00397911.2010.481751}, author = {Kondekar, Nagendra B. and Kumar, Pradeep} } @article { ISI:000286860900003, title = {Synthesis of silver nanoparticles in an aqueous suspension of graphene oxide sheets and its antimicrobial activity}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {83}, number = {1}, year = {2011}, month = {MAR}, pages = {16-22}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A solution-based approach to the synthesis of silver (Ag) nanoparticles by chemical reduction of AgNO3 in a graphene oxide (GrO) suspension is demonstrated. X-ray diffraction and transmission electron microscopy indicate that the Ag nanoparticles, of size range 5-25 nm, were decorated on the GrO sheets. The size and shape of the Ag nanoparticles are dependent on the concentration of the AgNO3 solution. Antimicrobial activity of such hybrids materials is investigated against the Gram negative bacteria Escherichia coli and Pseudomonous aeruginosa. The bacterial growth kinetics was monitored in nutrient broth supplemented with the Ag nanoparticle-GrO suspension at different conditions. It was observed that P. aeruginosa is comparatively more sensitive to the Ag nanoparticle-GrO suspension. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {Antimicrobial activity, Escherichia coli, graphene oxide, Pseudomonous aeruginosa, Silver nanoparticle}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2010.10.033}, author = {Das, Manash R. and Sarma, Rupak K. and Saikia, Ratul and Kale, Vinayak S. and Shelke, Manjusha V. and Sengupta, Pinaki} } @article { ISI:000288218300045, title = {Synthesis of single crystalline CdS nanocombs and their application in photo-sensitive field emission switches}, journal = {Nanoscale}, volume = {3}, number = {3}, year = {2011}, month = {JAN}, pages = {1078-1083}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Single crystalline CdS nanocombs were synthesized by a thermal evaporation route. The photo-sensitive field emission current shows a reproducible switching behavior, with a rise in current level of nearly five times the initial preset value of similar to 1 mu A. An ultra low turn-on field, required to draw an emission current density of similar to 0.1 mu A cm(-2) (100 nA), is found to be similar to 0.26 V mu m(-1) (260 V), which is much lower than the reported values for various other CdS nanostructures. Upon illumination with visible light the CdS nanocombs act as a photo field emission switch. At an applied field of similar to 0.65 V mu m(-1) the current densities are observed to be similar to 14.6 mu A cm(-2) and similar to 26.9 mu A cm(-2), without and with light illumination, respectively. The average emission current is seen to be stable over the duration of measurement for two preset values. The high sensitivity and fast response in the visible range indicates that the CdS nanocombs can be used as a photo-sensitive field emitting switch in device applications, and also in pulsed electron beam technology.
}, issn = {2040-3364}, doi = {10.1039/c0nr00659a}, author = {Chavan, Padmakar G. and Badadhe, Satish S. and Mulla, Imtiaz S. and More, Mahendra A. and Joag, Dilip S.} } @article { ISI:000286995800020, title = {Synthesis of tetrahydro-5-azaindoles and 5-azaindoles using pictet-spengler reaction-appreciable difference in products using different acid catalysts}, journal = {Tetrahedron}, volume = {67}, number = {5}, year = {2011}, month = {FEB}, pages = {936-942}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Pictet-Spengler condensation of 2-(aryl)-2-(1H-pyrrol-2-yl)ethanamines using conventional acid catalysts like TMSCl or TFA resulted in the formation of substituted 5-azaindoles involving a tandem one pot four steps reaction sequence. By contrast use of glacial acetic acid furnished the targeted tetrahydro-5-azaindoles in diastereoselective manner. These were readily dehydrogenated to 5-azaindoles. (C) 2010 Elsevier Ltd. All rights reserved.
}, keywords = {2-(Aryl)-2-(1H-pyrrol-2-yl)ethanamines, 4, 7-Disubstituted-5-azaindoles, 7-Disubstituted-tetrahydro-5-azaindoles, Diastereoselective Pictet-Spengler reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.12.003}, author = {Shumaila, Abdullah M. A. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @article {42822, title = {Systems view of the protein expression process}, journal = {Systems and Synthetic Biology}, volume = {5}, year = {2011}, month = {DEC}, pages = {139{\textendash}150}, abstract = {
Many biological processes are regulated by changing the concentration and activity of proteins. The presence of a protein at a given subcellular location at a given time with a certain conformation is the result of an apparently sequential process. The rate of protein formation is influenced by chromatin state, and the rates of transcription, translation, and degradation. There is an exquisite control system where each stage of the process is controlled both by seemingly unregulated proteins as well as through feedbacks mediated by RNA and protein products. Here we review the biological facts and mathematical models for each stage of the protein production process. We conclude that advances in experimental techniques leading to a detailed description of the process have not been matched by mathematical models that represent the details of the process and facilitate analysis. Such an exercise is the first step towards development of a framework for a systems biology analysis of the protein production process.
}, doi = {10.1007/s11693-011-9088-1}, author = {Gokhale, Sucheta A. and Nyayanit, Dimpal and Gadgil, Chetan J.} } @article { ISI:000286789100007, title = {Target cum flexibility: an alkyne [2+2+2]-cyclotrimerization strategy for synthesis of trinem library}, journal = {Tetrahedron Letters}, volume = {52}, number = {1}, year = {2011}, month = {JAN}, pages = {38-41}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A rapid access to the central 4,5,6-tricyclic core of 4,5,6-trinems has been achieved by employing the alkyne [2+2+2]-cyclotrimerization as the key and final reaction in the synthesis. (C) 2010 Elsevier Ltd. All rights reserved.
}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.10.123}, author = {Ramana, C. V. and Dushing, Mangesh P. and Mohapatra, Sradhanjali and Mallik, Rosy and Gonnade, Rajesh G.} } @article { ISI:000294145600011, title = {Target cum flexibility: synthesis of C(3 {\textquoteleft})-spiroannulated nucleosides}, journal = {Tetrahedron Letters}, volume = {52}, number = {36}, year = {2011}, month = {SEP}, pages = {4627-4630}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We report a simple strategy for the synthesis of a collection of C(3{\textquoteright})-spirodihydroisobenzo-furannulated nucleosides featuring a [2+2+2]-cyclotrimerization as the key reaction. The cyclotrimerization reactions are facile with the unprotected nucleosides having a diyne unit. When both alkynes of the diyne are terminal, the regioselectivity is poor. However, when one of the terminal alkynes is additionally substituted, the cyclotrimerizations are highly diastereoselective. Since the key bicycloannulation is the final step, this strategy provides flexibility in terms of the alkynes and is thus amenable for the synthesis of a focussed small molecule library. (C) 2011 Published by Elsevier Ltd.
}, keywords = {Dihydroisobenzofuran, Modified nucleosides, Tanaka catalyst, Willkinson catalyst, [2+2+2]-Cyclotrimerization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.06.100}, author = {Dushing, Mangesh P. and Ramana, C. V.} } @article { ISI:000292095800003, title = {Temperature-guided diastereoselectivity switch during the desymmetrization of meso-7-azabicyclo[2.2.1]heptadiene: new strategy towards the synthesis of aminocyclitols}, journal = {Chemistry-A European Journal}, volume = {17}, number = {23}, year = {2011}, month = {MAY}, pages = {6304-6308}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, keywords = {aminocyclitols, azabicycloheptane, desymmetrization, diastereoselectivity, synthetic methods}, issn = {0947-6539}, doi = {10.1002/chem.201100418}, author = {Pandey, Ganesh and Rajender, Salla} } @article { ISI:000292113700028, title = {Template induced structural isomerism and enhancement of porosity in manganese(II) based metal-organic frameworks (Mn-MOFs)}, journal = {Chemical Communications}, volume = {47}, number = {27}, year = {2011}, month = {JUN}, pages = {7674-7676}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Three new metal-organic framework isomers have been synthesized by using the organic linker 5-triazole isophthalic acid and Mn(NO3)(2)center dot xH(2)O. Structural conversions from non-porous to porous MOFs due to the template effect have been observed. The cross-sectional pore apertures of the resulting Mn-MOFs are comparable to the molecular dimensions of the template (pyrazine and 4,40-bipyridine). The periodic increased porosity in Mn-MOFs depending on the size of the template used has been further confirmed by the CO2 adsorption isotherms.
}, issn = {1359-7345}, doi = {10.1039/c1cc12278a}, author = {Panda, Tamas and Pachfule, Pradip and Banerjee, Rahul} } @article { ISI:000294593400012, title = {Thermal epimerization of inositol 1,3-benzylidene acetals in the molten state}, journal = {Tetrahedron}, volume = {67}, number = {38}, year = {2011}, month = {SEP}, pages = {7280-7288}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
1,3-O-Benzylidene-2,4,5,6-tetra-O-substituted-myo-inositol derivatives obtained by the DIBAL-H reduction of the corresponding myo-inositol 1,3,5-orthobenzoate derivatives undergo epimerization at the acetal carbon on heating, in the molten state, just above their melting point. The same epimerization reaction does not proceed either in the crystalline state or in solution. DFT calculations suggest that the epimeric acetal obtained by this thermal process is relatively more stable than the starting acetal. Either of these acetals could not be obtained by the reaction of the corresponding inositol derived diol with benzaldehyde. These observations constitute a novel reaction solely in the molten state, which are rarely encountered in the literature. X-ray crystal structures of the epimeric acetals as well as their radical deoxygenation reaction are also reported. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {cyclitols, Deoxygenation, Epimerization, Melt, Xanthate}, issn = {0040-4020}, doi = {10.1016/j.tet.2011.07.044}, author = {Gurale, Bharat P. and Krishnaswamy, Shobhana and Vanka, Kumar and Shashidhar, Mysore S.} } @article { ISI:000293491600016, title = {Thermally decomposed Ni-Fe-hydrotalcite: a highly active catalyst for the solvent-free N-acylation of different amines by acid chlorides}, journal = {Catalysis Communications}, volume = {12}, number = {14}, year = {2011}, month = {AUG}, pages = {1351-1356}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A composite Ni-Fe catalyst obtained from the thermal decomposition of Ni-Fe-hydrotalcite at 600 degrees C shows very high activity in the solvent-free N-acylation of amines by different acid chlorides with high product yields under very mild reaction conditions (viz, room temperature, short reaction period and small amount of catalyst). The catalyst also shows excellent reusability in the reaction. The crystalline phases present in the catalyst are mixed oxides and hydroxides of nickel and iron. The high catalytic activity of the decomposed Ni-Fe-hydrotalcite is attributed to the formation of uniformly distributed Ni-Fe metal oxides and hydroxides. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Acid chlorides, amines, Decomposition of Ni-Fe-hydrotalcite, N-acylation of amines, Ni-Fe-hydrotalcite derived catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2011.05.015}, author = {Choudhary, Vasant R. and Dumbre, Deepa K.} } @article { ISI:000287839600014, title = {Tin incorporated periodic mesoporous organosilicas (Sn-PMOs): synthesis, characterization, and catalytic activity in the epoxidation reaction of olefins}, journal = {Catalysis Communications}, volume = {12}, number = {7}, year = {2011}, month = {MAR}, pages = {629-633}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Tin incorporated mesoporous organosilicas (Sn-PMO) having uniform hexagonal arrangements were prepared using alkyl trimethylammonium bromide surfactants under basic reaction conditions. Characterization techniques revealed that the structural ordering, morphology, and the percentage of tin incorporation depend critically on the hydrophobic chain length of surfactants. The Sn-PMO samples are thermally stable up to 500 degrees C under air atmosphere and were hydrothermally stable up to 100 h in boiling water. The organotinsilicates showed excellent catalytic activity and reusability in the epoxidation of norbornene and ciscyclooctene than an Sn-MCM-41 due to organic groups in the frame wall positions and the better accessibility of reactants to the active sites. (C) 2010 Elsevier B.V. All rights reserved.
}, keywords = {epoxidation, Hydrothermal stability, Mesoporous, Organosilica, Sn-MCM-41, Sn-PMO}, issn = {1566-7367}, doi = {10.1016/j.catcom.2010.11.025}, author = {Sisodiya, Sheetal and Shylesh, S. and Singh, A. P.} } @article { ISI:000294586400026, title = {TiO2 nanoparticle size dependence of porosity, adsorption and catalytic activity}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {385}, number = {1-3}, year = {2011}, month = {JUN}, pages = {195-200}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The issue of size-sensitivity of the surface properties of anatase TiO2 is addressed by examining three samples synthesized by aqueous sol-gel method having different particle sizes on the nanoscale (8-19 nm). A number of characterization methods, namely, X-ray powder diffractometry, infrared spectroscopy, UV-vis diffuse reflectance spectroscopy, sorptiometry and electron microscopy are employed. The data obtained reveal interrelated dependencies of the surface area, porosity, nitrogen and pyridine adsorption capacity and strength, and catalytic methylbutynol decomposition activity on the size of titania nanoparticles. Pertinent size-dependent bulk properties are also revealed and used to account for the changes conceded by the surface properties. Accordingly, going from 19 to 8-nm sized titania particles has been found to stabilize the anatase structure, weaken the surface acidity, and blueshift the UV absorption edge of titania. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Catalytic methylbutynol decomposition activity, Nano-titania, Particle size dependencies, Pyridine sorptiometry, Surface texture}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2011.06.010}, author = {Zaki, Mohamed I. and Fouad, Nasr E. and Mekhemer, Gamal A. H. and Jagadale, Tushar C. and Ogale, Satishchandra B.} } @article {42577, title = {To make polymer: quantum dot hybrid solar cells NIR-active by increasing diameter of PbS nanoparticles}, journal = {Solar Energy Materials and Solar Cells}, volume = {95}, year = {2011}, month = {OCT}, pages = {651{\textendash}656}, abstract = {
We fabricate NIR-active solar cells based on PbS quantum dots and a conventional conjugated polymer. These devices act as solar cells under exclusively NIR wavelengths above 650 nm. Here PbS nanoparticles absorb photons in the NIR range that in turn generate excitons. We show that with an assistance from a strong electron-acceptor (TiO2), these excitons can be dissociated to electrons and holes to yield a photocurrent in the external circuit. We then aim to extend the spectral window of the solar cells to higher wavelength region by increasing the diameter of PbS nanoparticles to make the cells further NIR-active. We observe that the short-circuit current (JSC) shows a peak when the diameter of PbS nanoparticles increases. Here, the spectral window can be extended till conduction band-edge of PbS quantum dots falls below that of TiO2 nanostructures cutting off the electron-transfer pathway. The NIR-active photovoltaic solar cells yield a short-circuit current (JSC) of 1.0 mA/cm2, open-circuit voltage (VOC) of 0.42 V, and power conversion efficiency (η) of 0.16\% and remain operative till 1200 nm.
}, doi = {10.1016/j.solmat.2010.09.034}, author = {Guchhait, Asim and Rath, Arup Kumar and Pal, Amlan J.} } @article { ISI:000292479300036, title = {Total synthesis of isofregenedadiol}, journal = {Organic Letters}, volume = {13}, number = {14}, year = {2011}, month = {JUL}, pages = {3690-3693}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The first total synthesis of isofregenedadiol, a bicyclic diterpene isolated from H. Viscosum, is reported starting from a D-(-)-pantolactone chiral pool. A one-pot quadruple reaction sequence comprising an enyne ring-closing metathesis/cross-metathesis/Diels-Alder/aromatization for the construction of a target skeleton Is the highlight of the present synthesis.
}, issn = {1523-7060}, doi = {10.1021/ol201336x}, author = {Kurhade, Suresh E. and Sanchawala, Abbas I. and Ravikumar, Velayutham and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000288692000046, title = {Totall synthesis of (+/-)-sacidumllignan D}, journal = {Journal of Organic Chemistry}, volume = {76}, number = {7}, year = {2011}, month = {APR}, pages = {2315-2318}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The first total synthesis of (+/-)-sacidumlignan D featuring a Zn-mediated Barbier reaction and reverse Wacker oxidation to form the key gamma-lactone, its diastereoselective alpha-methylation followed by reduction cyclization, was documented.
}, issn = {0022-3263}, doi = {10.1021/jo1025749}, author = {Pandey, Sunil Kumar and Ramana, C. V.} } @article { ISI:000286868600075, title = {Toward an understanding of the molecular level properties of ziegler-natta catalyst support with and without the internal electron donor}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {5}, year = {2011}, month = {FEB}, pages = {1952-1960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Two Ziegler-Natta catalysts supported on molecular adducts, namely, MgCl2 center dot 6EtOH (ME) and MgCl2 center dot 5EtOH center dot EtOOCPh (Est-ME), have been prepared. A systematic effort has been made to unravel the molecular level structure property relationships of the catalysts and adducts. Ethylbenzoate is an internal electron donor, and its in situ formation through EtOH+PhCOCl coupling is successfully achieved. The above adduct has been treated with TiCl4, and the resultant catalyst (Ti/Est-ME) is evaluated for ethylene polymerization activity. Rand C-13 CP/MAS NMR of Est-ME (Ti/Est-ME) show carbonyl features at 1730 (1680) cm(-1) and 169 (170) delta, respectively, providing direct support for the presence of ester as an integral part. In spite of low surface area, Ti/Est-ME gives higher yield for ethylene polymerization than the one derived from ME. The results indicate that electronic environment is more important than surface area or any other single factor in determining the polymerization activity.
}, issn = {1932-7447}, doi = {10.1021/jp1078289}, author = {Thushara, K. S. and Gnanakumar, Edwin S. and Mathew, Renny and Jha, Ratnesh Kumar and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Sarma, Krishna and Padmanabhan, Sudhakar and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @conference {42783, title = {Transfer of technology (ToT) document of ethyl silicate-32}, booktitle = {Transfer of Technology (ToT)/ Technical Documents}, year = {2011}, month = {JAN}, address = {DRDL Hyderabad.}, author = {Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Dwivedi, Mayank and Chavan, Nayaku and Qureshi, Moham and Bhongale, Sunil Sitaram and Rao, Locanindi Hari Sarvothama and Dhanasekharan, Janakiraman and Mohan, S. Krishna and Deokar, Sarika Babasaheb and Momin, Mohasin Shamshuddin} } @conference {42789, title = {Transfer of technology (ToT) document of phenol-aniline-formaldehyde (sf-342a) resins}, booktitle = {Transfer of technology (ToT) document}, year = {2011}, month = {JAN}, address = {DRDL Hyderabad.}, author = {Ponrathnam, Surendra and Chelanattukizhakkemadath, Raman Rajan and Dwivedi, Mayank and Chavan, Nayaku and Qureshi, Moham and Bhongale, Sunil Sitaram and Rao, Locanindi Hari Sarvothama and Dhanasekharan, Janakiraman and Mohan, S. Krishna and Deokar, Sarika Babasaheb and Momin, Mohasin Shamshuddin} } @article { ISI:000293066000011, title = {Transport of carbonate ions through supported liquid membrane by using Alamine 336 and trioctylphosphine oxide as carriers}, journal = {Green Chemistry Letters and Reviews}, volume = {4}, number = {2}, year = {2011}, month = {MAR}, pages = {159-169}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Transport studies were carried out for carbonate ions through supported liquid membrane (SLMs) by sing Alamine 336 and trioctylphosphine oxide (TOPO) as carriers. Experimental variables were investigated, such as concentration of carbonate ion (10(-5) to 4 x 10(-2) M), carriers (10(-5) to 10(-1) M), and alkali (0.01-0.5); and stirring speed (50-50 rpm) of bulk solutions. The use of combined carriers Alamine 336 and TOPO shows a synergic transport of carbonate ions. The stability of the SLM system in relation to the transport of carbonate ions has been studied. The enrichment of carbonate ions (10(-6) to 4 x 10(-2) M) from the dilute solution was explored. The different combinations of amines with TOPO show synergic permeability of the carbonate ions through SLM system.
}, keywords = {Alamine 336, carbonate ion, supported liquid membrane, synergic effect, trioctyl phosphine oxide (TOPO)}, issn = {1751-8253}, doi = {10.1080/17518253.2010.528046}, author = {Gaikwad, Abaji G.} } @article { ISI:000299239000008, title = {Transport of indium, gallium and thallium metal ions through chromatographic fiber supported solid membrane in acetylacetone containing mixed solvents}, journal = {Chinese Journal of Chemical Engineering}, volume = {19}, number = {6}, year = {2011}, month = {DEC}, pages = {955-963}, publisher = {CHEMICAL INDUSTRY PRESS}, address = {NO. 3 HUIXINLI CHAOYANGQU, BEIJING 100029, PEOPLES R CHINA}, abstract = {
The transport of metal ions of indium, gallium and thallium from source solution to receiving phase through the chromatographic fiber supported solid membrane in the acetylacetone (HAA) containing mixed solvent system has been explored. The fibers supported solid membranes were prepared with chemical synthesis from cellulose fibers and citric acid with the carboxylic acid ion exchange groups introduced. The experimental variables, such as concentration of metal ions (10(-2) to 10(-4) mol.L(-1)) in the source solution, mixed solvent composition [for example, acetylacetone, (2,4-pentanedione), (HAA) 20\% (by volume), 1,4-dioxane 10\% to 60\% and HCl 0.25 to 2 mol.L(-1)] in the receiving phase and stirring speed (50-130 r.min(-1)) of the bulk source and receiving phase, were explored. The efficiency of mixed solvents for the transport of metal ions from the source to receiving phase through the fiber supported solid membrane was evaluated. The combined ion exchange solvent extraction (CIESE) was observed effective for the selective transport of thallium, indium and gallium metal ions through fiber supported solid membrane in mixed solvents. The oxonium salt formation in the receiving phase enhances thallium, indium and gallium metal ion transport through solid membrane phase. The selective transport of thallium metal ions from source phase was observed from indium and gallium metal ions in the presence of hydrochloric acid in organic solvents in receiving phase. The separation of thallium metal ions from the binary mixtures of Be(II), Ti(IV), Al(III), Ca(II), Mg(II), K (I), La(III) and Y(III) was carried out in the mixed solvent system using cellulose fiber supported solid membrane.
}, keywords = {acetylacetone, extraction, fiber supported solid membrane, metal ions transfer, stripping}, issn = {1004-9541}, author = {Gaikwad, Abaji G.} } @article { ISI:000300274300002, title = {Transport of metal ions through cellulose fiber supported solid membrane into tributyl phosphate containing mixed solvents}, journal = {Chemical and Biochemical Engineering Quarterly}, volume = {25}, number = {4}, year = {2011}, month = {DEC}, pages = {425-431}, publisher = {CROATIAN SOC CHEMICAL ENGINEERING TECHNOLOGY}, address = {BERISLAVICEVA 6, PO BOX 123, HR-10000 ZAGREB, CROATIA}, abstract = {
A novel cation exchange fiber supported solid membrane was developed for transport of cobalt, manganese and nickel metal ions. Fiber supported solid membrane was prepared by chemically modifying the cellulose fibers with citric acid. In the fiber supported solid membrane, the diffusion by capillary action by keeping the liquid phase in the porous solid fiber and ion exchange mechanism were used for the effective transport of metal ions. The experimental variables examined were concentration of metal ions (10(-2) to 10(-4) mol L-1) in the source solution, mixed solvent composition (phi = 20 \% TBP, acetone or tetrahydrofuran or 1,4-dioxane or methanol or ethanol or 2-propanol 10 to 60 \% and HCl (1 to 2 mol L-1) in the receiving phase and stirring speed (40-120 rpm) of the bulk source and receiving phase. The enrichment of concentration of cobalt, manganese and nickel metal ions was observed from the dilute solutions.
}, keywords = {binary of mixtures of metal ions, cobalt, extraction, fiber supported solid membrane, ion exchange, manganese and nickel metal ions, stripping}, issn = {0352-9568}, author = {Gaikwad, Abaji G.} } @article { ISI:000287903100004, title = {Transport of metal ions through fiber supported solid membranes in mixed solvents}, journal = {Fibers and Polymers}, volume = {12}, number = {1}, year = {2011}, month = {FEB}, pages = {21-28}, publisher = {KOREAN FIBER SOC}, address = {KOREA SCIENCE TECHNOLOGY CTR \#501 635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREA}, abstract = {
The transport of metal ions has been explored of bismuth, cadmium and lead from source solution to receiving phase through the fiber supported solid membrane system. The fibers supported solid membranes were prepared by chemically modification of cellulose fibers with the introducing the ion exchanging groups. The experimental variables explored were concentration of metal ions in the source solution, mixed solvent composition in the receiving phase and stirring speed of the bulk source solution and receiving phase. The efficiency has been evaluated for the transport of metal ions from the source to receiving phase through the fiber supported solid membrane. The pre-concentration was investigated of metal ions from the dilute solutions. The fiber supported solid membrane with two-channel systems had been investigated for the transport of metal ions from the source to receiving phase. The capillary action phenomenon helps to effectively transport the metal ions through the fiber supported solid membrane.
}, keywords = {binary of mixtures of metal ions, Bismuth, Cadmium and lead metal ions, extraction, fiber supported solid membrane, ion exchange, stripping}, issn = {1229-9197}, doi = {10.1007/s12221-011-0021-8}, author = {Gaikwad, Abaji G.} } @article { ISI:000294340300007, title = {Understanding the molecular conformations of Na-dimyristoylphosphatidylglycerol (DMPG) using DFT-based method}, journal = {Molecular Simulation}, volume = {37}, number = {11}, year = {2011}, month = {AUG}, pages = {953-963}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
The molecular conformations of phospholipids comprising a lipid bilayer determine the physico-chemical properties of the latter. In this study, we attempt to understand the various possible conformations available for an anionic lipid molecule dimyristoylphosphatidylglycerol (DMPG) with Na as its charge-compensating cation. The various possible molecular orientations available for lipid molecule are analysed using a density functional theory-based method. Our study reveals a rich conformational space with two different types of glycerol body orientations, more commonly known as rotamers. Interestingly, this is in agreement with the molecular conformations proposed earlier by NMR studies on lipid monomer solutions. We demonstrate that these conformations are an outcome of delicate balance of electrostatic and van der Waals forces along with intra-molecular hydrogen bonds achieved by a critical combination of torsion angles. Na(+) ions are seen to interact predominantly with the oxygen atoms of the glycerol groups in tail and head along with that of phosphate oxygen atoms leading to a cage-like orientation of lipid molecule around the Na(+). Following the conformational analysis, we attempt to evaluate the electronic properties of few low-lying conformations. This study shows that though the water molecules screen the Na-O(lipid) interactions, they do not dramatically modify the Na-O(lipid) bond distances. The lipid conformation retains the cage-like structure around the Na(+) in the presence of water molecules. Some amount of charge transfer from the water molecules to Na ion is noted. The water molecules modify the phosphate-tail glycerol group interactions leading to a more stable Na-DMPG-H(2)O and Na-DMPG-4H(2)O complexes.
}, keywords = {DFT, DMPG, molecular conformations, rotamer and hydration energy}, issn = {0892-7022}, doi = {10.1080/08927022.2011.582105}, author = {Mishra, Deepti and Pal, Sourav and Krishnamurty, Sailaja} } @article {42722, title = {Unprecedented catalytic hydrogenation of urea derivatives to amines and methanol}, journal = {Angewandte Chemie}, volume = {123}, year = {2011}, month = {DEC}, pages = {11906{\textendash}11909}, abstract = {
Indirekte CO2-Hydrierung: Eine Hydrierung von Harnstoffen zu Aminen und Methanol (siehe Bild) wird durch einen RuII-Pinzettenkomplex mit dreiz{\"a}hnigem bipyridinbasiertem PNN-Liganden katalysiert und verl{\"a}uft unter milden, neutralen Bedingungen bei einem H2-Druck von 13.6 atm. Da sich Harnstoffderivate ausgehend von CO2 erhalten lassen, erm{\"o}glicht dieser Ansatz die indirekte Hydrierung von Kohlendioxid zu Methanol.
}, doi = {10.1002/ange.201106612}, author = {Balaraman, Ekambaram and Ben-David, Yehoshoa and Milstein, David} } @article {42522, title = {Urea/thiourea derivatives and Zn(II)-DPA complex as receptors for anionic recognition-a brief account}, journal = {Journal of Chemical Sciences}, volume = {123}, year = {2011}, month = {OCT}, pages = {175{\textendash}186}, abstract = {
This review covers few examples of anion complexation chemistry, with a special focus on urea/thiourea-based receptors and Zn(II)-dipicolyl amine-based receptors. This article specially focuses on structural aspects of the receptors and the anions for obtaining the desire specificity along with an efficient receptor{\textendash}anion interaction. Two types of receptors have been described in this brief account; first one being the strong hydrogen bond donor urea/thiourea derivatives, which binds the anionic analytes through hydrogen bonded interactions; while, the second type of receptors are coordination complexes, where the coordination of the anion to the metal centre. In both the cases the anion binding modulate the energy gap between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) and thereby the spectroscopic response. Appropriate choice of the signalling unit may allow probing the anion binding phenomena through visual detection.
}, doi = {10.1007/s12039-011-0151-y}, author = {Das, Priyadip and Mahato, Prasenjit and Ghosh, Amrita and Mandal, Amal Kumar and Banerjee, Tanmay and Saha, Sukdeb and Das, Amitava} } @article {42744, title = {User-friendly [(diglyme)NiBr2]-catalyzed direct alkylations of heteroarenes with unactivated alkyl halides through c?h bond cleavages}, journal = {Advanced Synthesis \& Catalysis}, volume = {353}, year = {2011}, month = {DEC}, pages = {3325{\textendash}3329}, abstract = {
A nitrogen and phosphorus ligand-free catalytic system derived from inexpensive [(diglyme)NiBr2] allowed for efficient direct C[BOND]H bond alkylations of heteroarenes with unactivated β-hydrogen-containing alkyl halides under basic reaction conditions.
}, doi = {10.1002/adsc.201100487}, author = {Ackermann, Lutz and Punji, Benudhar and Song, Weifeng} } @article { ISI:000292022700003, title = {Validation and application of auxiliary density perturbation theory and non-iterative approximation to coupled-perturbed Kohn-Sham approach for calculation of dipole-quadrupole polarizability}, journal = {Chemical Physics Letters}, volume = {510}, number = {4-6}, year = {2011}, month = {JUL}, pages = {185-190}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Recently, two non-iterative approaches have been proposed to calculate response properties within density functional theory (DFT). These approaches are auxiliary density perturbation theory (ADPT) and the non-iterative approach to the coupled-perturbed Kohn-Sham (NIA-CPKS) method. Though both methods are non-iterative, they use different techniques to obtain the perturbed Kohn-Sham matrix. In this Letter, for the first time, both of these two independent methods have been used for the calculation of dipole-quadrupole polarizabilities. To validate these methods, three tetrahedral molecules viz., P-4; CH4 and adamantane (C10H16) have been used as examples. The comparison with MP2 and CCSD proves the reliability of the methodology. (C) 2011 Elsevier B. V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2011.05.032}, author = {Shedge, Sapana V. and Pal, Sourav and Koester, Andreas M.} } @article {43239, title = {What drives the redox properties of model green fluorescence protein chromophores?}, journal = {Journal of Physical Chemistry Letters}, volume = {2}, year = {2011}, month = {SEP}, abstract = {We report the first experimental determination of the oxidation potentials E-ox(0). (relative to the standard hydrogen electrode, SHE) of model green fluorescent protein (GFP) chromophores. Para-, meta, and ortho-hydroxy (4-hydroxybenzylidene-2,3-dimethylimidazolinone, HBDI) and methoxy (MeOBDI) derivatives were studied. E-ox(0) of the three isomers in acetonitrile are -1.31, -1.52, and -1.39 V, respectively. Electronic structure calculations reproduce the observed differences between the isomers and reveal that E-ox(0) follows the ionization energies (IEs), that is, p-MeOBDI has the lowest IE (6.96 eV in the gas phase) due to resonance stabilization of its cation, whereas the resonance is detuned in m-MeOBDL resulting in more-negative E-ox(0). The observed meta and ortho effects in E-ox(0) are similar to the trends in pK(a). The effect of increased solvent polarity on absolute.E-ox(0) (and especially on para-meta-ortho differences) was found to be small. The redox properties of GFP chromophores are driven by their structure and can be correlated with IEs, which can be exploited in predicting the properties of other fluorescent protein chromophores.}, doi = {10.1021/jz2011397}, author = {Solntsev, Kyril M. and Ghosh, Debashree and Amador, Adrian and Josowicz, Mira and Krylov, Anna I.} } @article {42534, title = {Zn(II) and Cd(II)-based complexes for probing the enzymatic hydrolysis of Na4P2O7 by alkaline phosphatase in physiological conditions}, journal = {Chemical Communications}, volume = {47}, year = {2011}, month = {SEP}, pages = {8118-8120}, abstract = {
Newly synthesized Zn(II) and Cd(II)-based complexes show unique selectivity towards inorganic pyrophosphate (PPi) in 100\% aqueous medium at pH = 7.4 and act as a "turn-on" and "turn-off" real-time assay, respectively, for the evaluation of the enzymatic activity of alkaline phosphatase.
}, doi = {10.1039/C1CC12682B}, author = {Das, Priyadip and Sourish, Bhattacharya and Sandhya, Mishra and Das, Amitava} } @article {42528, title = {ZnII-2,2?:6?,2?-terpyridine-based complex as fluorescent chemosensor for PPi, AMP and ADP}, journal = {Europian Journal of Inorganic Chemistry}, year = {2011}, month = {JUL}, pages = {3050{\textendash}3058}, abstract = {
A new ZnII{\textendash}2,2':6',2"-terpyridine complex, derivatized with a coumarin moiety (L1Zn), acts as a fluorescent chemosensor for different biologically important phosphates like PPi, AMP and ADP in mixed aqueous media. Depending on the proportion of the aqueous fraction present in the solvent mixture, L1Zn shows a preference for different phosphate moieties at physiological pH. In an aqueous acetonitrile (2:3, v/v) medium this reagent shows a preference for AMP as compared to ADP, ATP and PPi. The binding affinities of L1Zn with different phosphate ions and associated shifts in the electronic spectra were rationalized by DFT calculations. Such an example of a receptor that is selective for AMP under physiological conditions is rare in the literature.
}, doi = {10.1002/ejic.201100125}, author = {Das, Priyadip and Ghosh, Amrita and Kesharwani, Manoj K. and Ramu, Vadde and Ganguly, Bishwajit and Das, Amitava} } @article {42525, title = {Zn(II)-cyclam based chromogenic sensors for recognition of atp in aqueous solution under physiological conditions and their application as viable staining agents for microorganism}, journal = {Inorganic Chemistry}, volume = {50}, year = {2011}, month = {MAR}, pages = {4162{\textendash}4170}, abstract = {
Two chromogenic complexes, L.Zn (where L is (E)-4-((4-(1,4,8,11-tetraazacyclotetradecan-1-ylsulfonyl)phenyl)diazenyl)-N,N-dimethylaniline) and its [2]pseudorotaxane form (α-CD.L.Zn), were found to bind preferentially to adenosine triphosphate (ATP), among all other common anions and biologically important phosphate (AMP, ADP, pyrophosphate, and phosphate) ions in aqueous HEPES buffer medium of pH 7.2. Studies with live cell cultures of prokaryotic microbes revealed that binding of these two reagents to intercellular ATP, produced in situ, could be used in delineating the Gram-positive and the Gram-negative bacteria. More importantly, these dyes were found to be nontoxic to living microbes (eukaryotes and prokaryotes) and could be used for studying the cell growth dynamics. Binding to these two viable staining agents to intercellular ATP was also confirmed by spectroscopic studies on cell growth in the presence of different respiratory inhibitors that influence the intercellular ATP generation.
}, doi = {10.1021/ic200223g}, author = {Mahato, Prasenjit and Ghosh, Amrita and Mishra, Sanjiv K. and Shrivastav, Anupama and Mishra, Sandhya and Das, Amitava} } @article { ISI:000299176700007, title = {1,2-Benzoquinones in Diels-Alder reactions, dipolar cycloadditions, nucleophilic additions, multicomponent reactions and more}, journal = {Chemical Society Reviews}, volume = {41}, number = {3}, year = {2012}, month = {SEP}, pages = {1050-1059}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A brief account of the recent developments in the chemistry of 1,2-benzoquinones is presented in this tutorial review. The title compounds exhibit commendable versatility in both Diels-Alder and dipolar cycloaddition reactions. They have also been employed as electrophilic reaction partners in nucleophile-triggered catalytic processes and related multicomponent reactions. These, along with other reactions described here, lead to the synthesis of densely functionalised carbocyclic and heterocyclic frameworks that are otherwise difficult to access.
}, issn = {0306-0012}, doi = {10.1039/c1cs15186j}, author = {Nair, Vijay and Menon, Rajeev S. and Biju, Akkattu T. and Abhilash, K. G.} } @article { ISI:000311966300017, title = {1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {68}, number = {12}, year = {2012}, month = {DEC}, pages = {O485-U254}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
In the title compound, C21H18N2OS2, a strong intramolecular N-H center dot center dot center dot O hydrogen bond [N center dot center dot center dot O = 2.642 (3) angstrom] between the amide N atom and the benzoyl O atom forms an almost planar six-membered ring in the central part of the molecule. In the crystal, molecules are packed through weak N-H center dot center dot center dot S interactions. Intra- and intermolecular hydrogen bonds and van der Waals interactions are the stabilizing forces for the crystal structure.
}, issn = {0108-2701}, doi = {10.1107/S0108270112045167}, author = {Bhattacharjee, Tirtha and Gogoi, Prasanta and Puranik, Vedavati G. and Gawade, Rupesh L. and Barman, Pranjit} } @article { ISI:000311056800010, title = {3D Hexaporous carbon assembled from single-layer graphene as high performance supercapacitor}, journal = {Chemsuschem}, volume = {5}, number = {11}, year = {2012}, month = {OCT}, pages = {2159-2164}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {Electrochemistry, Energy storage, graphene, porous materials, Supercapacitors}, issn = {1864-5631}, doi = {10.1002/cssc.201200421}, author = {Yadav, Prasad and Banerjee, Abhik and Unni, Sreekuttan and Jog, Jyoti Prakash and Kurungot, Sreekumar and Ogale, Satishchandra} } @article { ISI:000313235300008, title = {4(R/S)-Amino/guanidino-substituted proline peptides: design, synthesis and DNA transfection properties}, journal = {Chimia}, volume = {66}, number = {12, 1}, year = {2012}, month = {DEC}, pages = {936-940}, publisher = {SWISS CHEMICAL SOC}, address = {SCHWARZTORSTRASSE 9, CH-3007 BERN, SWITZERLAND}, abstract = {
Collagen is a major structural protein found in the connective tissues of higher organisms and mammals and its biomechanical properties are related to the high thermal stability of its triple helical structure. The primary structure of collagen is composed of the repeating tripeptide motif of Pro-Hyp-Gly, where Hyp is 4R-hydroxy proline. Cationic collagen mimetics consisting of [Pro(X)-Pro(Y)-Gly](6) where Pro(X) and Pro(Y) are 4(R/S)-amino/guanidine proline have been synthesized and shown to form triplexes more stable than the unmodified collagen peptide [Pro-Hyp-Gly](6). The origin of hyperstability is due to conformational pre-organization of proline pucker arising from the electronegativity of the cationic group. These cationic collagen peptides are shown to be effective cell penetrating and plasmid DNA transfecting agents. The results have potential for design of new collagen mimetics for biomaterial applications and efficient cell penetrating agents for drug delivery applications.
}, keywords = {4-Aminoproline peptides, 4-Guanidino proline peptides, Cationic collagen mimetics, Cell penetrating peptides}, issn = {0009-4293}, doi = {10.2533/chimia.2012.936}, author = {Umashankara, M. and Nanda, Manaswini and Sonar, Mahesh and Ganesh, Krishna N.} } @article { ISI:000302982000044, title = {4(R/S)-Guanidinylprolyl collagen peptides: on-resin synthesis, complexation with plasmid DNA, and the role of peptides in enhancement of transfection}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {8}, year = {2012}, month = {APR}, pages = {4131-4135}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Chimeric collagen peptides containing cationic 4(R/S)-guanidinylproline are synthesized by in situ amidinylation of 4(R/S)-aminoproline residues. These peptides uniquely enhance the transfection efficiency of GFP-encoded plasmid DNA (pRmHa3-GFP) into cells through efficient DNA condensation resulting from nonspecific electrostatic interactions of cationic guanidino groups and localize in subcytoplasmic organelles.
}, issn = {0022-3263}, doi = {10.1021/jo300070p}, author = {Nanda, Manaswini and Ganesh, Krishna N.} } @article { ISI:000310467600030, title = {Achieving molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate through crystal formation}, journal = {Crystengcomm}, volume = {14}, number = {23}, year = {2012}, month = {AUG}, pages = {8010-8016}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate, an early intermediate during the synthesis of phosphoinositols, depends on the phase in which it is stored. This orthoformate is stable when stored in the crystalline form or as solution in common organic solvents. The former has eluded chemists since the preparation of this benzyl ether two decades ago. The difficulty in obtaining crystals of this orthoformate is due to the cleavage of the orthoformate moiety during storage in the gummy state. Dimorphs (form I and form II) of crystalline racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate, were obtained when the gummy sample was stored over extended periods of time. Form I crystals could be obtained consistently, by crystallization of a frozen (-20 degrees C) solid sample, from a solution of dichloromethane- light petroleum. The two crystal forms display dissimilar patterns of hydrogen bonding and molecular assembly in the solid-state.
}, issn = {1466-8033}, doi = {10.1039/c2ce26199e}, author = {Sardessai, Richa and Krishnaswamy, Shobhana and Shashidhar, Mysore S.} } @article { ISI:000306503200003, title = {Activity modulated low platium content oxygen reduction electrocatalysts prepared by inducing nano-order dislocations on carbon nanofiber through N-2-doping}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {28}, year = {2012}, month = {JUL}, pages = {14754-14763}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We demonstrate how surface unsaturation developed during small order buckling of graphene interlayer upon doping iron nitride (i.e., FeNx) moieties in carbon nanofiber can be utilized as a very efficient mode of surface activation to establish fine distribution of Pt nanoparticles with 10 wt \%. The surface dislocations have been effectively modulating the oxygen reduction characteristics of Pt through synergistic effects of the interacting species. The simultaneous enhancement of dispersion of Pt and oxygen reduction reaction (ORR) activity with a low weight percentage of dispersed Pt has been attained by FeNx doping, which increases the density of the active sites owing to the formation of fine and abundant delaminated regions on the CNF surface. HR-TEM images clearly depict the fine distribution of Pt nanoparticles on the delaminated regions of FeNxCNF. The stable incorporation of Pt on nitrogen doped active sites has been further confirmed by observing the formation of Pt-N peak at 391.5 eV using XPS analysis. The fine distribution of Pt nanoparticles along the abundant nanopockets between the buckled graphene layers helped the system to attain significantly high electrochemically active surface area of Pt as evident from the cyclic voltammetric studies. The mass activity of PtFeNxCNF at 0.9 V vs RHE is 4.9 mA mgPt(-1) which is two times higher than that of E-TEK. The superior catalytic activity (exchange current density (i(0)) at 0.8 V is 2.61X 10(-6)) could be further confirmed by single cell evaluation of the membrane electrode assembly (MEA) of polymer electrolyte fuel cell (PEFC), where the cathode electrode was fabricated from this new catalyst.
}, issn = {1932-7447}, doi = {10.1021/jp300881p}, author = {Palaniselvam, Thangavelu and Irshad, Ahamed and Unni, Bipinlal and Kurungot, Sreekumar} } @article { ISI:000298518600028, title = {Adsorption induced enzyme denaturation: the role of protein surface in adsorption induced protein denaturation on allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymers}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {90}, year = {2012}, month = {FEB}, pages = {184-190}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The effects of protein size on adsorption and adsorption-induced denaturation of proteins on copolymers of allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) have been studied. Different responses were observed for the amount of protein adsorbed and denatured on the polymer surface for different proteins (trypsin, alchol dehydrogenase from baker{\textquoteright}s yeast (YADH), glucose dehydrogenase (GDH) from Gluconobacter cerinus, and alkaline phosphates from calf intestinal mucosa (CIAP). Protein adsorption on the copolymer with 25\% crosslink density (AGE-25) was dependent not only on the size of the protein but also on the presence of glycoside residues on the protein surface. Adsorption and denaturation of proteins follows the order YADH \> trypsin \> GDH \>\> CIAP although the molecular weights of the proteins follow the order YADH \> CIAP \> GDH \> trypsin. The lack of correlation between amount of adsorbed protein and its molecular weight was due to the presence of glycoside residues on CIAP and GDH which protect the enzyme surface from denaturation. Enzyme stabilities in aqueous solutions of 1-cyclohexyl-2-pyrrolidinone (CHP) correlate well with the trend in denaturation by the copolymer, strongly suggesting that hydrophobic interactions play a major role in protein binding and the mechanism of protein denaturation is similar to that for water-miscible organic solvents. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {1-Cyclohexyl-2-pyrrolidinone, Adsorption, Alcohol dehydrogenase, Alkaline phosphatase, allyl glycidyl ether, Denaturation, ethylene glycol dimethacrylate, Glucose dehydrogenase, Trypsin}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2011.10.022}, author = {Thudi, Lahari and Jasti, Lakshmi Swarnalatha and Swarnalatha, Y. and Fadnavis, Nitin W. and Mulani, Khudbudin Baban and Deokar, Sarika Babasaheb and Ponrathnam, Surendra} } @article { ISI:000303003300023, title = {Adsorption mechanism and collapse propensities of the full-length, monomeric A beta(1-42) on the surface of a single-walled carbon nanotube: a molecular dynamics simulation study}, journal = {Biophysical Journal}, volume = {102}, number = {8}, year = {2012}, month = {APR}, pages = {1889-1896}, publisher = {CELL PRESS}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, abstract = {
Though nanomaterials such as carbon nanotubes have gained recent attention in biology and medicine, there are few studies at the single-molecule level that explore their interactions with disease-causing proteins. Using atomistic molecular-dynamics simulations, we have investigated the interactions of the monomeric A beta(1-42) peptide with a single-walled carbon nanotube of small diameter. Starting with peptide-nanotube complexes that delineate the interactions of different segments of the peptide, we find rapid convergence in the peptide{\textquoteright}s adsorption behavior on the nanotube surface, manifested in its arrested movement, the convergence of peptide-nanotube contact areas and approach distances, and in increased peptide wrapping around the nanotube. In systems where the N-terminal domain is initially distal from nanotube, the adsorption phenomena are initiated by interactions arising from the central hydrophobic core, and precipitated by those arising from the N-terminal residues. Our simulations and free energy calculations together demonstrate that the presence of the nanotube increases the energetic favorability of the open state. We note that the observation of peptide localization could be leveraged for site-specific drug delivery, while the decreased propensity of collapse appears promising for altering kinetics of the peptide{\textquoteright}s self-assembly.
}, issn = {0006-3495}, doi = {10.1016/j.bpj.2012.03.036}, author = {Jana, Asis K. and Sengupta, Neelanjana} } @article { ISI:000307972400024, title = {Adsorption of methylene blue using green pea peels (Pisum sativum): a cost-effective option for dye-based wastewater treatment}, journal = {Biotechnology and Bioprocess Engineering}, volume = {17}, number = {4}, year = {2012}, month = {AUG}, pages = {862-874}, publisher = {KOREAN SOC BIOTECHNOLOGY \& BIOENGINEERING}, address = {KOREAN SCIENCE TECHNOLOGY CENTER, \#704 YEOGSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA}, abstract = {
Methylene blue (MB), a common toxic dye, is largely discharged from dyeing processes for acrylic, nylon, silk, and woolen fabrics in textile industries. While application of conventional removal processes like chemical precipitation, ion exchange, commercial activated carbon adsorption, etc often become cost-prohibitive, the adsorption of MB by abundantly available green pea peel (GPP: Pisum sativum) derived and acid-treated carbon (GPP-AC) has proved to be a cost-attractive option in the present study. The physicochemical and morphological characteristics of GPP-AC were examined with the help of XRD, BET surface area, SEM, and Fourier transform infrared spectrophotometry ((FT-IR) analysis. The influences of such adsorption parameters as initial dye concentration, pH, contact time, adsorbent dosage, agitation speed, particle size, and temperature were evaluated and optimized. The equilibrium contact time for maximum adsorption of MB on to GPPAC was found to be 7 h. The equilibrium data of the adsorption process were modeled by using the Langmuir, Freundlich, Temkin, and Dubinin-Raduskevich (D-R) isotherms. However, the adsorption equilibrium data were best described by the Langmuir Isotherm model, with a maximum adsorption capacity of 163.94 mg MB/g GPPAC at 30A degrees C.
}, keywords = {Adsorption, Dubinin-raduskevich, Freundlich, green peas peels, Isotherms, Langmuir, Methylene blue, Temkin}, issn = {1226-8372}, doi = {10.1007/s12257-011-0614-5}, author = {Dod, Ramesh and Banerjee, Goutam and Saini, S.} } @article { ISI:000321561205175, title = {Adsorption of the full length amyloid beta peptide on the carbon nanotube surface and the thermodynamic implications for fibrillogenesis}, journal = {Biophysical Journal}, volume = {102}, number = {3, 1}, year = {2012}, note = {56th Annual Meeting of the Biophysical-Society, San Diego, CA, FEB 25-29, 2012}, month = {JAN}, pages = {732A-733A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Sengupta, Neelanjana and Jana, Asis K.} } @article { ISI:000305714200033, title = {Alginate and hydrotalcite-like anionic clay composite systems: synthesis, characterization and application studies}, journal = {Microporous and Mesoporous Materials}, volume = {158}, year = {2012}, month = {AUG}, pages = {241-246}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Hydrotalcite-like anionic clays (Zn/Al and Mg/Al) were intercalated with sodium alginate to form organic-inorganic composite adsorbents for water treatment applications. The synthesized composites were characterized using different characterization techniques viz. XRD, DRIFTS, SEM and surface area/porosity analysis. The adsorption potential of the alginate-clay composites was examined for removal of fluoride ions and Orange II dye from water by adsorption. Our studies revealed that these composites had high adsorption capacity for the adsorption of fluoride and Orange II dye from aqueous solutions. The adsorption capacity of the composites was considerably higher than that of either alginate or clay, used individually. The results indicated that these materials might be useful sorbents for groundwater purification/effluent treatment. (C) 2012 Elsevier Inc. All rights reserved.
}, keywords = {Alginate, Anionic clay, Composite, Fluoride, Orange II dye}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2012.03.046}, author = {Mandal, Sujata and Patil, Varsha S. and Mayadevi, S.} } @article { ISI:000303249400022, title = {Alkali earth metal (Ca, Sr, Ba) based thermostable metal-organic frameworks (MOFs) for proton conduction}, journal = {Chemical Communications}, volume = {48}, number = {41}, year = {2012}, month = {MAR}, pages = {4998-5000}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
{Three new alkaline earth metal based MOFs have been synthesized by using 4,4{\textquoteright}-sulfobisbenzoic acid (SBBA) and alkaline earth metal salts M(NO3)(2)
}, issn = {1359-7345}, doi = {10.1039/c2cc31135f}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Banerjee, Rahul} } @article { ISI:000307209400005, title = {Alkylation of benzene to cumene over mor zeolite catalysts}, journal = {Revue Roumaine De Chimie}, volume = {57}, number = {2}, year = {2012}, month = {FEB}, pages = {107-113}, publisher = {EDITURA ACAD ROMANE}, address = {CALEA 13 SEPTEMBRIE NR 13, SECTOR 5, BUCURESTI 050711, ROMANIA}, abstract = {
The vapor phase alkylation of benzene to cumene (isopropyl benzene) is studied over MOR (mordenite) type zeolite at different process parameters. The reaction was also studied by adopting different methodologies (pyridine poisoning, passing of moist propylene, alkali dominant mordenite, use of coked catalyst and metal impregnated zeolite) to check the nature of product distribution and the extent of activity and selectivity to alkylated product IPB, DIPB (isopropyl benzene and diisopropyl benzene) and n-PB (n-propyl benzene). It is revealed that the adoption of different methodologies affects the activity and selectivity significantly by suppressing of alkylation / isomerisation reactions.
}, keywords = {Alkylation, cumene, isopropanol, MOR zeolite, propylene}, issn = {0035-3930}, author = {Vyawahare, Yogesh K. and Chumbhale, Vilas R. and Aswar, Anand S.} } @article { ISI:000308957700010, title = {Alpha-geminal dihydroxymethyl piperidine and pyrrolidine iminosugars: synthesis, conformational analysis, glycosidase inhibitory activity, and molecular docking studies}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {18}, year = {2012}, month = {SEP}, pages = {7873-7882}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The Jocic-Reeve and Corey-Link type reaction of dichloromethyllithium with suitably protected 5-keto-hexofuranoses followed by treatment with sodium azide and sodium borohydride reduction gave 5-azido-5-hydroxylmethyl substituted hexofuranoses 7a-c with required geminal dihydroxymethyl group. Removal of protecting groups and converting the C-1 anomeric carbon into free hemiacetal followed by intramolecular reductive aminocyclization with in situ generated C5-amino functionality afforded corresponding 5C-dihydroxymethyl piperidine iminosugars 2a-c. Alternatively, removal of protecting groups in 7b and 7c and chopping of C1-anomeric carbon gave C2-aldehyde that on intramolecular reductive aminocyclization with CS-amino gave 4C-dihydroxyrnethyl pyrrolidine iminosugars 1b and 1c, respectively. On the basis of the H-1 NMR studies, the conformations of 2a/2b were assigned as C-4(1) and that of 2c as C-1(4). The glycosidase inhibitory activities of all five iminosugars were studied with various glycosidase enzymes and compared with natural o-g/uco-l-deoxynojirimycin (DNJ). All the five compounds were found to be potent inhibitors of rice alpha-glucosidase with K-i and IC50 values in the nanomolar concentration range. Iminosugars 2b and 1b were found to be more potent inhibitors than their parent iminosugar. These results were substantiated by in silico molecular docking studies.
}, issn = {0022-3263}, doi = {10.1021/jo3009534}, author = {Pawar, Nitin J. and Parihar, Vijay Singh and Chavan, Sanjay T. and Joshi, Rakesh S. and Joshi, Pranaya V. and Sabharwal, Sushma G. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000311473600008, title = {Alternate synthesis of enantiomerically pure levetiracetam (Keppra (R))}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {20-21}, year = {2012}, month = {NOV}, pages = {1512-1515}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple and efficient synthesis of levetiracetam has been achieved with high enantiopurity (\>99\%) starting from commercially available benzyl glycidyl ether. The method is amenable for industrial scale-up. (C) 2012 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.10.006}, author = {Mujahid, Mohammad and Mujumdar, P. and Sasikumar, M. and Kunte, S. S. and Muthukrishnan, Murugan} } @article {42507, title = {Alternative approach: a highly selective dual responding fluoride sensor having active methylene group as binding site}, journal = {Org Biomol Chem.}, volume = {10}, year = {2012}, month = {JAN}, pages = {2263-2271}, abstract = {
A newly designed phosphonium derivative (L) having active methylene functionality, shows unusual preference towards F- over all other anions. The binding process through C{\textendash}H...F- hydrogen bond formation was probed by monitoring the changes in either electronic or luminescence spectra. Changes in both cases are significant enough to allow visual detection. The loss of molecular flexibility of L on forming L{\textperiodcentered}F- effectively interrupts the non-radiative deactivation pathway and accounts for the observed switch on fluorescence response. The results of the time-resolved emission studies for L and L{\textperiodcentered}F- using a time-correlated single photon counting technique further corroborate this presumption. The excellent preference of L towards F- is attributed to an efficient hydrogen bonding interaction between the strongly polarized methylene protons and F-, which delineates the subtle difference in the affinity among other competing anionic analytes like CN-, H2PO4-, CH3CO2-, etc. The relative affinities of various anions and the preferential binding of F- to reagent L are also rationalized using computational studies.
}, doi = {10.1039/C2OB06815J}, author = {Das, Priyadip and Kesharwani, Manoj K. and Mandal, Amal K. and Suresh, Eringathodi and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000310257100019, title = {Alumina supported carbon composite material with exceptionally high defluoridation property from eggshell waste}, journal = {Journal of Hazardous Materials}, volume = {237}, year = {2012}, month = {OCT}, pages = {161-169}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A new alumina supported carbon composite material called {\textquoteleft}{\textquoteleft}Eggshell Composite{\textquoteright}{\textquoteright} (EC) was synthesized from eggshell waste as calcium source for selective fluoride adsorption from water. The effect of various synthesis parameters like eggshell (ES): Eggshell membrane (ESM) ratio, aluminium loading, mixing time and calcinations temperature to optimize the synthesis conditions for selective fluoride removal has been studied. It was observed that the synthesis parameters have significant influence on development of EC and in turn on fluoride removal capacity. EC synthesized was characterized for elemental composition, morphology, functionality and textural properties. Results showed that EC obtained from eggshell modified with alumina precursor is more selective and efficient for fluoride removal. Langmuir and Freundlich isotherm were used to obtain ultimate fluoride removal capacity. The calcium and alumina species in EC shows synergistic effect in fluoride adsorption process. Fluoride sorption studies were carried out in synthetic, groundwater and wastewater. EC proved to be a potential, indigenous and economic adsorbent for fluoride removal. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Composite material, Eggshell, Eggshell membrane, Fluoride adsorption, Langmuir}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2012.08.023}, author = {Lunge, Sneha and Thakre, Dilip and Kamble, Sanjay and Labhsetwar, Nitin K. and Rayalu, Sadhana} } @article {42779, title = {Amino functionalized oligo polyimides with enhanced storage stability}, number = {EP 11817412 A 20111228}, year = {2012}, month = {JUL}, abstract = {
The invention relates to an improved process for the preparation of amino functionalized oligomeric monomeric reactant type polyimides having higher stability. More particularly it relates to a process for the preparation of soluble imide prepolymers, used as matrix resins that can be rapidly cured with multi-functional moieties such as diepoxy, dicarboxyl, anhydride, diisocyanates to form crosslinked structures having enhanced thermal stability and mechanical strength.
}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Mohan, Srinivasulu Reddy Krishna and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Rajan, Chelanattukizhakkemadath Raman and Tayal, Rajiv Kumar and Shadbar, Qureshi Mohammed and Chavan, Nayaku and Deokar, Sarika Babasaheb and Mulani, Khudbudin Baban and Ghorpade, Ravindra V. and Bhongale, Sunil Sitaram and Nalawade, Archana Chetan and Sontakke, Kalpana Vishwanathrao and Bhosle, Sonali Madhavrao and Mule, Smita Atmaram and Dhoble, Deepa Arun and John, Aruldoss and Shaikh, Wasif Abdul Lateef and Harikrishna, Reghunathan and Punitharasu, Vellimala and Momin, Mohasin Shamshuddin} } @article { ISI:000308836800013, title = {Aminolysis of epoxides catalyzed by three-dimensional, mesoporous titanosilicates, Ti-SBA-12 and Ti-SBA-16}, journal = {Journal of Catalysis}, volume = {293}, year = {2012}, month = {SEP}, pages = {126-140}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The application of three-dimensional, mesoporous titanosilicates (Ti-SBA-12 and Ti-SBA-16) as reusable, solid catalysts for the synthesis of a range of beta-amino alcohols in high yields and selectivity through ring-opening of epoxides with amines at ambient and solvent-free conditions is reported, for the first time. These mesoporous titanosilicates (Si/Ti = 20-80) were prepared by a direct hydrothermal synthesis route adjusting the concentration of HCl (0.05-2 M) used in the synthesis. Ti ions in these catalysts were mostly substituted for Si in the framework. Water adsorption and Si-29 magic-angle spin nuclear magnetic resonance spectroscopy revealed that Ti-SBA-16 is more hydrophobic than Ti-SBA-12. Mesoporosity, three-dimensional architecture, surface hydrophobicity and easy access of Lewis acidic, framework-substituted Ti sites are the factors responsible for the superior activity of Ti-SBA-16 compared to Ti-SBA-12 and the hitherto known solid catalysts for this reaction. (C) 2012 Elsevier Inc. All rights reserved.
}, keywords = {Aminolysis of epoxides, beta-Amino alcohol, Mesoporous titanosilicates, Molecular sieves, Ring opening of epoxides with amines, Ti-SBA-12, Ti-SBA-16}, issn = {0021-9517}, doi = {10.1016/j.jcat.2012.06.012}, author = {Kumar, Anuj and Srinivas, Darbha} } @article { ISI:000306049900024, title = {Aminomethylene peptide nucleic acid (am-PNA): synthesis, regio-/stereospecific DNA binding, and differential cell uptake of (alpha/gamma,R/S)am-PNA analogues}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {13}, year = {2012}, month = {JUL}, pages = {5696-5704}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Inherently chiral, cationic am-PNAs having pendant aminomethylene groups at alpha(R/S) or gamma(S) sites on PNA backbone have been synthesized. The modified PNAs are shown to stabilize duplexes with complementary cDNA in a regio- and stereo-preferred manner with gamma(S)-am PNA superior to alpha(R/S)-am PNAs and alpha(R)-am PNA better than the alpha(S) isomer. The enhanced stabilization of am-PNA:DNA duplexes is accompanied by a greater discrimination of mismatched bases. This seems to be a combined result of both electrostatic interactions and conformational preorganization of backbone favoring the cDNA binding. The am-PNAs are demonstrated to effectively traverse the cell membrane, localize in the nucleus of He La cells, and exhibit low toxicity to cells.
}, issn = {0022-3263}, doi = {10.1021/jo300860f}, author = {Mitra, Roopa and Ganesh, Krishna N.} } @article { ISI:000309208000024, title = {Ammonia clathrate hydrates as new solid phases for Titan, Enceladus, and other planetary systems}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {109}, number = {37}, year = {2012}, month = {SEP}, pages = {14785-14790}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {
There is interest in the role of ammonia on Saturn{\textquoteright}s moons Titan and Enceladus as the presence of water, methane, and ammonia under temperature and pressure conditions of the surface and interior make these moons rich environments for the study of phases formed by these materials. Ammonia is known to form solid hemi-, mono-, and dihydrate crystal phases under conditions consistent with the surface of Titan and Enceladus, but has also been assigned a role as water-ice antifreeze and methane hydrate inhibitor which is thought to contribute to the outgassing of methane clathrate hydrates into these moons{\textquoteright} atmospheres. Here we show, through direct synthesis from solution and vapor deposition experiments under conditions consistent with extraterrestrial planetary atmospheres, that ammonia forms clathrate hydrates and participates synergistically in clathrate hydrate formation in the presence of methane gas at low temperatures. The binary structure II tetrahydrofuran + ammonia, structure I ammonia, and binary structure I ammonia + methane clathrate hydrate phases synthesized have been characterized by X-ray diffraction, molecular dynamics simulation, and Raman spectroscopy methods.
}, keywords = {ethane, hydrate inhibitors, hydrogen bonding, ice, single crystal X-ray diffraction}, issn = {0027-8424}, doi = {10.1073/pnas.1205820109}, author = {Shin, Kyuchul and Kumar, Rajnish and Udachin, Konstantin A. and Alavi, Saman and Ripmeester, John A.} } @article { ISI:000304584000001, title = {Amylase gene expression patterns in Helicoverpa armigera upon feeding on a range of host plants}, journal = {Gene}, volume = {501}, number = {1}, year = {2012}, month = {JUN}, pages = {1-7}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Expression of two amylase genes (HaAmy1 and HaAmy2) was studied in Helicoverpa armigera (Hubner; Lepidoptera: Noctuidae) feeding on different host plants and during larval development. Alignment of HaAmy1 and HaAmy2 with other insect amylases shows similarities with known Lepidopteran amylase transcripts. H. armigera amylase gene expression is influenced by the availability of reducing sugars, sucrose and starch content of host plants and further correlates to the pool of reducing sugars in the gut and haemolymph of larvae. HaAmy1 and HaAmy2 during larval development on two host plants viz., maize (cereal) and marigold (ornamental) showed their relative difference. Results support the view that when host plants differ in their macronutrients, relationships of enzymes and substrates are flexible. The present work highlights the distribution of HaAmy1 and HaAmy2 (i) during various stages of insect development (second, fourth and sixth instar, pupa, adult and egg), (ii) in various tissues viz., head, haemolymph, fat body, integument and whole larval body of H. armigera feeding on artificial diet and (iii) in three gut regions of larvae fed on various diets. Complexity in expression of amylase genes suggests existence of mechanisms involved to detect nutrient balance required for avoiding fitness costs and focus their importance in insect nutrition. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Diets, Digestive amylase, Gene expression, Helicoverpa armigera, Nutrition}, issn = {0378-1119}, doi = {10.1016/j.gene.2012.04.010}, author = {Kotkar, Hemlata M. and Bhide, Amey J. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000302437100008, title = {Analysis of AGE modified proteins and RAGE expression in HER2/neu negative invasive ductal carcinoma}, journal = {Biochemical and Biophysical Research Communications}, volume = {419}, number = {3}, year = {2012}, month = {MAR}, pages = {490-494}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Cancer is associated with increased glycolysis and carbonyl stress. In view of this, AGE modified proteins were identified from clinical breast cancer tissue using 2DE-immunoblot and mass-spectrometry. These proteins were identified to be serotransferrin, fibrinogen gamma chain, glycerol-3-phosphate dehydrogenase, lactate dehydrogenase, annexin II, prohibitin and peroxiredoxin 6, which have established role in cancer. Further, RAGE expression and its downstream signaling proteins NADPH oxidase and NF-kB were studied. Role of these AGE modified proteins and RAGE signaling in breast cancer is discussed. (C) 2012 Elsevier Inc. All rights reserved.
}, keywords = {advanced glycation end products, Breast cancer, RAGE}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2012.02.039}, author = {Korwar, Arvind M. and Bhonsle, Hemangi S. and Chougale, Ashok D. and Kote, Sachin S. and Gawai, Kachru R. and Ghole, Vikram S. and Koppikar, Chaitanyananda B. and Kulkarni, Mahesh J.} } @article { ISI:000300048500009, title = {Analysis of miRNA regulation suggests an explanation for {\textquoteleft}unexpected{\textquoteright} increase in target protein levels}, journal = {Molecular Biosystems}, volume = {8}, number = {3}, year = {2012}, month = {DEC}, pages = {760-765}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
MicroRNA (miRNA) has been mostly associated with decrease in target protein expression levels. Recently, {\textquoteleft}unexpected{\textquoteright} observations of increase in target protein expression attributed to microRNA regulation have been reported. We formulate a comprehensive model for regulation by miRNA that includes both reversible mRNA-miRNA binding and selective return of RNA. We use this mathematical model incorporating multiple individual steps in the regulation process to study the simultaneous effects of these steps on the target protein level. We show that four dimensionless numbers obtained from 12 rate constants are sufficient to define the relative change in steady state target protein levels. We quantify the range of these numbers for which such pleiotropic increase in protein levels is possible, and interpret the experimental findings in the framework of our model such that the results are no longer unexpected. Finally, we show through stochastic simulation that the nature of the target protein distribution remains unchanged and the relative steady state noise levels are also completely defined by the values of these dimensionless numbers, irrespective of the individual reaction rate constants.
}, issn = {1742-206X}, doi = {10.1039/c1mb05368j}, author = {Gokhale, Sucheta A. and Gadgil, Chetan J.} } @article { ISI:000311350000022, title = {Anchored Pd-complexes in mesoporous supports: synthesis, characterization and catalysis studies for carbonylation reactions}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {154-173}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Pd(pyca)(PPh3)(OTs) [pyca = 2-picolinate] complex is efficiently anchored inside different mesoporous matrices, such as MCM-41, MCM-48, SBA-15 using a molecular aminopropyl tether moiety employing different synthesis strategies. Thorough characterization of the materials using powder XRD, multinuclear (C-13, Si-29, P-31) CP-MAS NMR, XPS, SEM, N-2-sorption studies etc. confirmed the successful anchoring of the palladium complex to the walls of the support matrices thus establishing the synthesis protocols unambiguously. The catalysts were found to be highly active and selective for the carbonylation of different aryl olefins and alcohols. Consecutive recycling and successful reuse proved the stability and true heterogeneous nature of all the anchored catalysts, which is a substantial advancement over the existing heterogeneous catalysts for carbonylation. (C) 2012 Elsevier B. V. All rights reserved.
}, keywords = {Anchored catalysts, Carbonylation, Immobilization, mesoporous materials, Palladium complex}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.04.047}, author = {Sarkar, Bibhas R. and Chaudhari, Raghunath V.} } @article { ISI:000307950000006, title = {Andrographolide inhibits osteopontin expression and breast tumor growth through down regulation of PI3 Kinase/Akt signaling pathway}, journal = {Current Molecular Medicine}, volume = {12}, number = {8}, year = {2012}, month = {SEP}, pages = {952-966}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Breast cancer is one of the most common cancers among women in India and around the world. Despite recent advancement in the treatment of breast cancer, the results of chemotherapy to date remain unsatisfactory, prompting a need to identify natural agents that could target cancer efficiently with least side effects. Andrographolide (Andro) is one such molecule which has been shown to possess inhibitory effect on cancer cell growth. In this study, Andro, a natural diterpenoid lactone isolated from Andrographis paniculata has been shown to inhibit breast cancer cell proliferation, migration and arrest cell cycle at G2/M phase and induces apoptosis through caspase independent pathway. Our experimental evidences suggest that Andro attenuates endothelial cell motility and tumor-endothelial cell interaction. Moreover, Andro suppresses breast tumor growth in orthotopic NOD/SCID mice model. The anti-tumor activity of Andro in both in vitro and in vivo model was correlated with down regulation of PI3 kinase/Akt activation and inhibition of pro-angiogenic molecules such as OPN and VEGF expressions. Collectively, these results demonstrate that Andro may act as an effective anti-tumor and anti-angiogenic agent for the treatment of breast cancer.
}, keywords = {Andrographolide, angiogenesis and breast tumor, migration, osteopontin, PI 3 kinase}, issn = {1566-5240}, author = {Kumar, S. and Patil, H. S. and Sharma, P. and Kumar, D. and Dasari, Sreekanth and Puranik, Vedavati G. and Thulasiram, H. V. and Kundu, G. C.} } @article { ISI:000300871600018, title = {Antagonism of microRNA function in zebrafish embryos by using locked nucleic acid enzymes (LNAzymes)}, journal = {Chembiochem}, volume = {13}, number = {4}, year = {2012}, month = {MAR}, pages = {584-589}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
MicroRNAs (miRNAs) have crucial functions in many cellular processes, such as differentiation, proliferation and apoptosis; aberrant expression of miRNAs has been linked to human diseases, including cancer. Tools that allow specific and efficient knockdown of miRNAs would be of immense importance for exploring miRNA function. Zebrafish serves as an excellent vertebrate model system to understand the functions of miRNAs involved in a variety of biological processes. We designed and employed a strategy based on locked nucleic acid enzymes (LNAzymes) for in vivo knockdown of miRNA in zebrafish embryos. We demonstrate that LNAzyme can efficiently knockdown miRNAs with minimal toxicity to the zebrafish embryos.
}, keywords = {enzymes, locked nucleic acids, microRNA, morpholino, zebrafish}, issn = {1439-4227}, doi = {10.1002/cbic.201100789}, author = {Suryawanshi, Hemant and Lalwani, Mukesh Kumar and Ramasamy, Soundhar and Rana, Rajiv and Scaria, Vinod and Sivasubbu, Sridhar and Maiti, Souvik} } @article { ISI:000311754600007, title = {Antibacterial properties of linolenic sophorolipid and its chemically esterified methyl ester form}, journal = {Research Journal of Biotechnology}, volume = {7}, number = {3}, year = {2012}, month = {AUG}, pages = {40-45}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {
The antibacterial activity of Linolenic SL mixture (containing 80\% lactone) and its methyl ester derivative against Gram positive (B. subtilis) and Gram negative (E. coli and P. aeruginosa) bacteria is reported here. Bacterial cultures were treated with increasing concentrations of Linolenic SL mixture and its methyl ester derivative and antibacterial activity was checked at different time-intervals (2, 4 and 6 hrs) using standard dilution micromethod and spread plate method. Decrease in bacterial colonies was observed with increase in concentrations of compounds as well as incubation time but the level of effectiveness varies with the compound and bacteria. The minimum inhibitory concentrations (MIC) of Linolenic SL mixture (LNNSL, containing 80\% lactone) against B. subtilis, E. coli and P. aeruginosa were found to be 20, 10 and 10 mu g ml(-1) respectively. The MIC values of methyl ester form (LNNSLME) against B. subtilis, E. coli and P. aeruginosa were determined to be \>20, 20 and 20 mu g ml(-1) respectively. The results suggest that Linolenic SL mixture (containing 80\% lactone) as compared to its methyl ester derivative showed good antibacterial activity towards both the Gram positive and Gram negative bacteria and were found to be more potent against Gram negative bacteria.
}, keywords = {antibacterial activity, Bacillus subtilis, Escherichia coli, Linolenic sophorolipid mixture, Minimum inhibitory concentration, Pseudomonas aeruginosa, Sophorolipid methyl ester}, issn = {0973-6263}, author = {Reetika, Gupta and Kumar, Uma S. and Asmita, Prabhune} } @article { ISI:000305764600011, title = {Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {28}, year = {2012}, month = {MAY}, pages = {5385-5394}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
First synthesis of diaportheone B, an antituberculosis agent isolated from endophytic fungus Diaporthe sp. P133 is reported using two complementary routes, a one step and a three-step sequence. The absolute configuration of diaportheone B was determined by using X-ray crystal structure analysis of its dibromo derivative. In addition, we have prepared several close analogues of diaportheone B and determined their anti-TB potential using Alamar-blue assay (H(37)Rv).
}, issn = {1477-0520}, doi = {10.1039/c2ob25831e}, author = {Swaroop, Pandrangi Siva and Raut, Gajanan N. and Gonnade, Rajesh G. and Verma, Priyanka and Gokhale, Rajesh S. and Reddy, D. Srinivasa} } @article { ISI:000309096400007, title = {Aromatic aldehyde functionalized polycaprolactone and polystyrene macromonomers: synthesis, characterization and aldehyde-aminooxy click reaction}, journal = {Reactive \& Functional Polymers}, volume = {72}, number = {10}, year = {2012}, month = {OCT}, pages = {713-721}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
New bis-aldehyde functionalized initiators, viz, 4,4{\textquoteright}-(4,4{\textquoteright}-(5-hydroxypentane-2,2-diyl)bis(4,1-phenylene))bis(oxy)dibenza ldehyde (1) and 4,4{\textquoteright}-bis(4-(4-(formylphenoxy) phenyl) pentyl 2-bromopropanoate (2) were synthesized starting from commercially available 4,4{\textquoteright}-bis(4-hydroxyphenyl) pentanoic acid. These initiators were utilized, respectively, for ring opening polymerization of E-caprolactone and atom transfer radical polymerization of styrene. Well-defined polycaprolactone macromonomers (M-n(GPC): 2600-19400, PDI: 1.37-1.47) and polystyrene macromonomers (M-n(GPC): 2800-28200, PDI: 1.11-1.16) with bis-aldehyde functionality were synthesized. The kinetic study of styrene polymerization showed controlled polymerization behaviour. The presence of aldehyde functionality in macromonomers was confirmed by H-1 NMR spectroscopy. The reactivity of aldehyde functionality was demonstrated by carrying out aldehyde-aminooxy click reaction of polycaprolactone macromonomer with O-(2-azidoethyl) hydroxylamine which proceeded in a quantitative manner without backbone degradation. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Aldehyde-terminated macromonomers, ATRP, Polycaprolactone, Polystyrene, ROP}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2012.06.020}, author = {Sane, Prakash S. and Tawade, Bhausaheb V. and Palaskar, Dnyaneshwar V. and Menon, Shamal K. and Wadgaonkar, Prakash P.} } @article {42449, title = {Arynes in transition-metal-free multicomponent coupling reactions}, journal = {Angewandte Chemie-International Edition}, volume = {51}, year = {2012}, month = {FEB}, pages = {1520{\textendash}1522}, abstract = {
Let{\textquoteright}s couple together! The multicomponent reactions involving arynes offer direct access to unusual heterocyclic scaffolds and 1,2-disubstituted arenes. This transition-metal-free, one-pot construction of molecular complexity is likely to play a pivotal role in various carbon{\textendash}carbon and carbon{\textendash}heteroatom bond-forming reactions.
}, doi = {10.1002/anie.201106984}, author = {Bhojgude, Sachin Suresh and Biju, Akkattu T.} } @article { ISI:000309850200004, title = {Asymmetric synthesis of a 12-membered macrolactone core and a 6-epi analogue of amphidinolide W from 4-pentenoic acid}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {15-16}, year = {2012}, month = {AUG}, pages = {1170-1185}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A flexible and efficient asymmetric route to the synthesis of a 12-membered macrolactone core and a 6-epi analogue of amphidinolide W has been accomplished from commercially available 4-pentenoic acid. The successful generation of stereocenters was achieved by utilizing an Evans{\textquoteright} chiral auxiliary-based alkylation and aldol reaction. Other key reactions such as a Julia-Kocienski olefination, Kita{\textquoteright}s macrolactonization, ring closing metathesis (RCM) reaction, and Yamaguchi{\textquoteright}s esterification were significant for the construction of the macrolactone cores. (c) 2012 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.07.006}, author = {Chatterjee, Bhaskar and Mondal, Dhananjoy and Bera, Smritilekha} } @article { ISI:000312607100004, title = {Asymmetric synthesis of (+)-stagonolide C and (-)-aspinolide A via organocatalysis}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {22-23}, year = {2012}, month = {DEC}, pages = {1534-1541}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A new enantioselective synthesis of two important fungal metabolites, (+)-stagonolide C and (-)-aspinolide A, has been described from readily available raw materials. Praline catalyzed asymmetric alpha-aminooxylation and Jorgensen{\textquoteright}s epoxidation of aldehydes are the key reactions employed in the introduction of chirality. The formation of the 10-membered lactone core structure was finally accomplished via Steglich esterification and ring closing metathesis reactions. (C) 2012 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.10.007}, author = {Shelke, Anil M. and Rawat, Varun and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000301235200031, title = {Band edge modulated conjugated polymers for oxidation prevention}, journal = {Physical Chemistry Chemical Physics}, volume = {14}, number = {13}, year = {2012}, month = {FEB}, pages = {4577-4583}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The impact of electron transfer (ET) from a series of band edge modulated polymers to atmospheric oxygen is examined in connection with substrate oxidation prevention. Polymers with the highest occupied molecular orbital (HOMO) energy level below and above the oxygen energy level were tested and the former showed better efficiency. Furthermore, the oxidation prevention efficiency of a polymer with lower HOMO increased by two orders of magnitude, when the pores on the film were filled with spherical molecules, [6,6]-phenyl-C61-butyric acid methyl ester. We found that the polymer surface hydrophobicity has little or no influence on oxidation prevention. It is interesting to note that a polymer with a hole mobility of 8 x 10(-10) cm(2) V-1 s(-1) showed a two-fold increase in oxidation prevention efficiency compared to a polymer with a hole mobility of 6 x 10(-5) cm(2) V-1 s(-1). Over all, from the concerted approach, we conclude that a polymer devoid of pores with the HOMO energy level below oxygen and low charge carrier mobility is a suitable candidate for prevention of substrate oxidation/corrosion.
}, issn = {1463-9076}, doi = {10.1039/c2cp23544g}, author = {Mahale, Rajashree Y. and Arulkashmir, Arulraj and Dutta, Kingshuk and Krishnamoorthy, Kothandam} } @article { ISI:000312149600044, title = {Base promoted highly efficient copper fluorapatite catalyzed coupling of phenols with arylboronic acids under mild and ligand-free conditions}, journal = {RSC Advances}, volume = {2}, number = {33}, year = {2012}, month = {OCT}, pages = {12818-12823}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A mild, general and highly efficient protocol has been developed for the synthesis of diaryl ethers in good to excellent yield under mild and ligand-free conditions. This is the first example in which a recyclable, heterogeneous copper fluorapatite catalyst is used for the arylation of phenols with arylboronic acids at room temperature in the presence of Cs2CO3 as a base and methanol as a solvent. The catalyst was recovered and reused several times without loss of catalytic activity.
}, issn = {2046-2069}, doi = {10.1039/c2ra21850j}, author = {Mulla, Shafeek Abdul Rashid and Inamdar, Suleman M. and Pathan, Mohsinkhan Y. and Chavan, Santosh S.} } @article { ISI:000314145100008, title = {Behavior of the transport and separation of lanthanum, yttrium and lutetium metal ions through a celluose fiber supported solid membrane}, journal = {Macedonian Journal of Chemistry and Chemical Engineering}, volume = {31}, number = {2}, year = {2012}, month = {Jan}, pages = {255-269}, publisher = {SOC CHEMISTS TECHNOLOGISTS MADECONIA}, type = {Article}, address = {STS CYRIL \& METHODIUS UNIV, FAC TECHNOL \& METALLURGY, PO BOX 560, RUGER BOSKOVIC 16, SKOPJE, MK-1001, MACEDONIA}, abstract = {
A newly designed membrane cell was used to study the behavior of the transport and separation of lanthanum, yttrium and lutetium metal ions using a cellulose fiber supported solid membrane. The cellulose fiber membrane was prepared by the chemical modification of cellulose fiber using an esterification reaction with citric acid. Different experimental variables were investigated, such as time, membrane size, stirring of the source and receiving phases and the pH of the source phase. The use of different stripping agents in the receiving phase was explored, including nitric acid, hydrochloric acid, sodium nitrate, ammonium thiocyanate, D(2)EHPA, TBP, Aliquat-336, tartaric acid, EDTA and organic solvents. Pre-concentration of lanthanum, yttrium and lutetium metal ions from dilute solutions was carried out.
}, keywords = {binary mixture, cellulose fiber membrane, Citric acid, complexing reagent, Lanthanum, lutetium, metal ions, Separation, transport studies, yttrium}, issn = {1857-5552}, author = {Gaikwad, Abaji G.} } @article { ISI:000302296000032, title = {Behaviour of density functional theory for electric response properties at distorted geometries of molecules}, journal = {Theoretical Chemistry Accounts}, volume = {131}, number = {2}, year = {2012}, month = {FEB}, pages = {1094}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The role of exchange-correlation is well known for accurate calculations of electric response properties. The exchange-correlation functional in density functional theory (DFT) has been well studied for ground state equilibrium geometry. However, the behaviour of these functional in stretched geometries, where static correlation play an important role, has not been studied systematically, particularly for response electric properties. Thus, we present here the rigorous calculation of electric response properties at distorted geometries of the molecules. We have considered dipole polarizability and dipole-quadrupole polarizability for description of role of static and dynamic correlation for electric response properties. The calculations are performed with our new approach, noniterative approximation to coupled-perturbed Kohn-Sham method. These DFT results are compared with higher level ab initio such as coupled perturbed singles and doubles and fully correlated full CI. We have studied single, double and triple-bonded systems at different inter-nuclear separation. We report here the dipole polarizability and dipole-quadrupole polarizability of HF, BH, H2CO, CO and NO+. We also present the effect of basis and functional on polarizability and dipole-quadrupole polarizability.
}, keywords = {DFT, Dipole-dipole polarizability, Dipole-quadrupole polarizability, Distorted geometry, NIA-CPKS}, issn = {1432-881X}, doi = {10.1007/s00214-012-1094-1}, author = {Shedge, Sapana V. and Joshi, Sayali P. and Pal, Sourav} } @article { ISI:000311350000024, title = {Binapthyl Schiff base diamine complex covalently bonded to modified SBA-15: synthesis, characterization and catalytic application}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {184-188}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Protected mesoporous SBA-15 phase was synthesized by grafting the complex Chloro (S,S)(-)[N-3-tert-butyl-5-chloromethyl salicylidene]-N{\textquoteright}-[3{\textquoteright},5{\textquoteright}-di tert-butyl salicylidene] 1,1{\textquoteright}-binapthyl-2,2{\textquoteright}-diamine manganese(III) through the reactive 3-aminopropyl trimethoxysilane(3-APTMS) group. The surface properties of the functionalized catalyst were analyzed by a series of characterization techniques like elemental analysis, XRD, N-2 sorption measurement isotherm, FT-IR, XPS, and solid state C-13 NMR. The screening of the catalyst Mn(III)-L-SBA-15 and neat Mn(III)-L complexes was done for the oxidation reaction of thioanisole (methyl phenyl sulfide) using TBHP as an oxidant. Mn(III)-L-SBA-15 catalyst shows higher activities and exhibit enantiomeric excess comparable to homogeneous catalyst. (C) 2012 Elsevier B. V. All rights reserved.
}, keywords = {-OH protected NH2-SBA-15, Binaphthyl Schiff base ligand, Ordered mesoporous materials, Sulfoxidation, Thioanisole}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.05.024}, author = {Sharma, Priti and Singh, A. P.} } @article {43072, title = {Bioanalytical method development and validation of levalbuterol a β2-adrenergic agonist by RP-HPLC method}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {4}, year = {2012}, month = {MAR}, pages = {249-253}, author = {Ghemud, A. S. and Santhakumari, B. and Pharne, A. B. and Jadhav, M. M. and Jain, K. S. and Kulkarni, Mahesh J.} } @article {43069, title = {Bioanalytical method development and validation of vildagliptin a novel dipeptidyl peptidase IV inhibitor by RP-HPLC method}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {4}, year = {2012}, month = {JUN}, pages = {119-123}, abstract = {
A simple, selective, rapid, precise and economical Reverse-Phase HPLC method has been developed and validated for quantitative determination of vildagliptin in plasma. Vildagliptin is a potent dipeptidyl peptidase IV inhibitor used for treatment of diabetes. Tolbutamide is used as an internal standard. The method was carried out with UV Spectrophotometric detection using a Perkin Elmer Series 200 HPLC system equipped with XBridge Shield C18 column (3.5 μm, 4.6x150mm) and a guard column of the same type, at a flow rate of 1.0mL/min. Detection was carried out at 210 nm. The mobile phase consisted of 50mM ammonium bicarbonate (pH 7.8) (solvent A) and acetonitrile (solvent B). The retention times of vildagliptin and tolbutamide were 11.2 min and 13.4 min respectively. The method was developed and tested for linearity range of 10μg/ml to 120μg/ml. The developed method was validated in terms of selectivity, accuracy, precision, linearity, and stability study. The proposed method uses less biological material and the method is MS compatible also. Method can be applicable for pharmacokinetic studies using HPLC or LC-MS.
}, author = {Pharne, A. B. and Santhakumari, B. and Ghemud, A. S. and Jain, H. K. and Kulkarni, Mahesh J.} } @article { ISI:000298390900013, title = {Biochemical characterization of a novel thermostable xyloglucanase from an alkalothermophilic thermomonospora sp.}, journal = {Extremophiles}, volume = {16}, number = {1}, year = {2012}, month = {JAN}, pages = {135-146}, publisher = {SPRINGER JAPAN KK}, address = {CHIYODA FIRST BLDG EAST, 3-8-1 NISHI-KANDA, CHIYODA-KU, TOKYO, 101-0065, JAPAN}, abstract = {
Xyloglucanase from an extracellular culture filtrate of alkalothermophilic Thermomonospora sp. was purified to homogeneity with a molecular weight of 144 kDa as determined by SDS-PAGE and exhibited specificity towards xyloglucan with apparent K (m) of 1.67 mg/ml. The enzyme was active at a broad range of pH (5-8) and temperatures (40-80A degrees C). The optimum pH and temperature were 7 and 70A degrees C, respectively. The enzyme retained 100\% activity at 50A degrees C for 60 h with half-lives of 14 h, 6 h and 7 min at 60, 70 and 80A degrees C, respectively. The kinetics of thermal denaturation revealed that the inactivation at 80A degrees C is due to unfolding of the enzyme as evidenced by the distinct red shift in the wavelength maximum of the fluorescence profile. Xyloglucanase activity was positively modulated in the presence of Zn2+, K+, cysteine, beta-mercaptoethanol and polyols. Thermostability was enhanced in the presence of additives (polyols and glycine) at 80A degrees C. A hydrolysis of 55\% for galactoxyloglucan (GXG) from tamarind kernel powder (TKP) was obtained in 12 h at 60A degrees C and 6 h at 70A degrees C using thermostable xyloglucanases, favouring a reduction in process time and enzyme dosage. The enzyme was stable in the presence of commercial detergents (Ariel), indicating its potential as an additive to laundry detergents.
}, keywords = {Alkalothermophilic Thermomonospora sp., Biotechnological applications, Purification, Thermostable, Xyloglucanase}, issn = {1431-0651}, doi = {10.1007/s00792-011-0413-0}, author = {Pol, Dipali and Menon, Vishnu and Rao, Mala} } @article { ISI:000300299500001, title = {Biomimetic synthesis of selenium nanoparticles using cell-free extract of microbacterium sp ARB05}, journal = {Micro \& Nano Letters}, volume = {7}, number = {1}, year = {2012}, month = {JAN}, pages = {1-4}, publisher = {INST ENGINEERING TECHNOLOGY-IET}, address = {MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND}, abstract = {
This Letter is a novel approach to synthesise a bio-functionalised selenium nanoparticles using cell-free extract of selenium-resistant bacterial isolate. Phylogenetic analysis of isolate suggested its close similarity with Microbacterium luteolum (Y17235.1) and Microbacterium oxydans str. TPL09 (EU373379.1) while it was distantly related to Microbacterium dextranolyticum (Y17230.1). Selenium colloidal solution exhibited an absorption maximum at 300 nm and gave emission maximum at 590 nm. Transmission electron microscopy followed by selected area electron diffraction pattern analysis indicated the formation of spherical, polydispersed, crystalline, Se nanoparticles of diameter ranging from similar to 30 to 150 nm. X-ray diffraction results showed 111, 200 and 220 planes of face-centred cubic selenium. Energy dispersive analysis of X-rays confirmed the presence of selenium in nanosphere. Selenium nanoparticles synthesised in this manner can be studied for chemo-prevention as well as its fluorescent property can be utilised for molecular diagnostics in cancer research.
}, issn = {1750-0443}, doi = {10.1049/mnl.2011.0498}, author = {Prasad, K. S. and Vyas, P. and Prajapati, V. and Patel, P. and Selvaraj, K.} } @article { ISI:000307134700044, title = {Bistable dynamic coordination polymer showing reversible structural and functional transformations}, journal = {Inorganic Chemistry}, volume = {51}, number = {15}, year = {2012}, month = {AUG}, pages = {8317-8321}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A bistable dynamic coordination polymer [Ni(pca)(bdc)(0.5)(H2O)(2)] having a two-dimensional (2D) zigzag sheet structure is synthesized solvothermally. Topological analysis revealed that the frameworks have an hcb type of uninodal net. The compound exhibits guest specific reversible structural transformations accompanying reversible changes in physical properties driven by inherent flexibility and transformability.
}, issn = {0020-1669}, doi = {10.1021/ic301481p}, author = {Nagarkar, Sanjog S. and Das, Raja and Poddar, Pankaj and Ghosh, Sujit K.} } @article { ISI:000303698100011, title = {Calcined, rare earth modified hydrotalcite as a solid, reusable catalyst for dimethyl carbonate synthesis}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {18}, year = {2012}, month = {MAY}, pages = {6356-6363}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An eco-friendly building block and fuel additive dimethyl-carbonate (DMC)-was synthesized through a benign route by transesterification of propylene carbonate (PC) with methanol. The catalytic activity of a series of calcined, rare earth elements (La3+, Ce3+, Pr3+, Sm3+, and Y3+; 2-10 mol \%) incorporated Mg-Al hydrotalcites (HT) was evaluated for this reaction. Among several, the La (8 mol \%) modified HT showed the highest activity (PC conversion = 65.4 mol \% and DMC selectivity = 88 mol \% at 150 degrees C and in 2 h). Basicity of the catalyst played an important role on the transesterification activity. The influence of reaction parameters and calcination temperature on the catalytic activity of HT was investigated. The La modified HT catalyst was heterogeneous and could be reused with little loss of activity.
}, issn = {0888-5885}, doi = {10.1021/ie300678p}, author = {Unnikrishnan, P. and Srinivas, D.} } @article { ISI:000304037200008, title = {Carbohydrate based total synthesis of xestodecalactone B and C: revision of the absolute configuration}, journal = {Current Organic Chemistry}, volume = {16}, number = {9}, year = {2012}, month = {MAY}, pages = {1159-1168}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
A convergent chiral pool approach for the total synthesis of xestodecalactones B and C was demonstrated in which intramolecular acylation reaction constituted the key step. Synthetic and spectroscopic studies reported herein, suggested that the previously assigned structures of xestodecalactone B and C be interchanged.
}, keywords = {Chiral pool, Hydroboration, Intramolecular acylation, Pinnick oxidation, Revision of absolute configuration, Xestodecalactone B and C}, issn = {1385-2728}, author = {Pal, Rita and Rahaman, Hasibur and Gurjar, Mukund K.} } @article { ISI:000301445700014, title = {Carbohydrate-based synthesis of the C13-C22 fragment of amphidinolide X}, journal = {European Journal of Organic Chemistry}, number = {9}, year = {2012}, month = {MAR}, pages = {1753-1758}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A facile carbohydrate-based route was developed for the synthesis of the tetrahydrofuran (C13C22) fragment of amphidinolide X. Starting from L-sorbose, the key reactions followed include the stereoselective synthesis of a quaternary center at C1, BartonMcCombie deoxygenation at C2, Mitsunobu inversion at C3, and chain elongation by a Wittig reaction at C5.
}, keywords = {Cytotoxicity, Macrolides, Mitsunobu inversion, Natural products, Wittig reactions}, issn = {1434-193X}, doi = {10.1002/ejoc.201101605}, author = {Gurjar, Mukund K. and Yellol, Gorakh S. and Mohapatra, Debendra K.} } @article { ISI:000310863400012, title = {Carbohydrate-derived conformationally restricted bicyclic dipeptides as potential hetero foldamer building blocks}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {18-19}, year = {2012}, month = {OCT}, pages = {1400-1404}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Starting from carbohydrate precursors, hetero foldamer building blocks featuring diverse amino acid side chains and stereochemistry have been accessed via a multi-step synthetic protocol. These conformationally restricted bicyclic dipeptide building blocks are characterized by a constrained beta-lactam ring fused with a pyrrolidine ring carrying a hydroxyethylamine isostere (HEA) on the backbone. These building blocks offer the possibility of developing foldamers with interesting structural architectures, conspicuously different from those classically observed. Furthermore, such hetero-building blocks have the potential to augment the conformational space available for foldamer design with diverse backbone conformations and structural architectures. (C) 2012 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.08.007}, author = {Ramesh, Veera V. E. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000309370500004, title = {Carbon dioxide capture by metal organic frameworks}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1223-1230}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
The design and synthesis of functionalized metal organic framework materials (MOFs) for reversible physisorption of CO2 is discussed. This strategy of CO2 adsorption in MOFs requires less energy for regeneration than materials relying on chemisorption. As a result the MOFs have received considerable attention as sorbent materials for strategic gases such as CO2 and H,. In this review, we have discussed different MOFs and hybrid materials containing MOFs which can adsorb CO2 at room temperature. In order to achieve high adsorption capacity, fast CO2 adsorption-desorption and low energy requirement for regeneration are necessary. Several avenues for increasing the CO2 adsorption capacity of such materials, for instance, introduction of open metal sites and the use of ligand molecules with specific functionalities (like -OH or -NH2) have been described. It has been observed that CO2 loading capacity of MOFs increases with functionalization. Herein, we have discussed how N-containing and fluorinated MOFs are designed to achieve higher CO2 loading than their non-functionalized counterparts. Nanocarbons (e.g. carbon nanotubes, carbon nanofibres, etc.) are porous materials and a blend of these porous materials with porous MOFs or porous carbon derived from MOFs may act as a better adsorbate than even the pure materials. Enhancement of CO2 loading by nanocarbon-MOF hybrid material is also discussed.
}, keywords = {Carbon dioxide adsorbents, Carbon dioxide capture, hybrid materials, Metal organic frameworks, Nanocarbons, Porous nanocarbons}, issn = {0376-4710}, author = {Saha, Subhadeep and Chandra, Suman and Garai, Bikash and Banerjee, Rahul} } @article { ISI:000309370500003, title = {Carbon dioxide capture using amine functionalized silica gel}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1214-1222}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
Commercially available silica gel is chemically modified for carbon dioxide capture. Calcinated silica gel of certain particle size functionalized with amine using two different methods, wet impregnation and grafting via silane chemistry has been employed as a porous media. The prepared material is characterized by Fourier transform infrared, scanning electron microscopy, energy dispersive analysis of X-rays, thermogravimetry and N-2 physisorption techniques. Gas uptake measurements have been carried out to ascertain the CO2 capture capacity of the amine functionalized material. The experiments have been carried out at moderate pressure and temperature range to ascertain its potential for easy scale up.
}, keywords = {Amine functionalized silica gel, Carbon dioxide capture, grafting, Poly(ethyleneimine), Silane chemistry, Wet impregnation}, issn = {0376-4710}, author = {Sakpal, Tushar and Kumar, Asheesh and Kamble, Sanjay and Kumar, Rajnish} } @article { ISI:000309370500015, title = {Carbon dioxide reforming of methane over ruthenium substituted strontium titanate perovskite catalysts}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1339-1347}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
Strontium titanate (SrTiO3) doped with varying amounts of ruthenium (7.9, 15.6 and 31 wt\%) have been prepared by the citrate gel synthesis method. Structural and textural characterizations reveal that at lower concentrations, a major part of Ru is incorporated in the lattice of SiTiO3. The content of surface Ru (outside lattice) increases with increasing amounts of the doped Ru. The surface Ru reduced at lower temperatures compared to Ru incorporated into the lattice. The reduction of the lattice substituted Ru occurs only at temperatures above the collapse of the perovskite structure. The catalyst sample with 7.9 wt\% of Ru shows good conversions in the dry reforming of methane with CO2. The conversion of CO2 is in excess compared to methane under the studied reaction conditions. As a result, H-2/CO ratio of the product gases which should have been equivalent to unity is lower than the stoichiometric value. This ratio is particularly low when lower reaction temperatures (873-973 K) were used. Similar was the case when high space velocities were used. Low methane conversion and reverse water gas shift reaction are the causes for the low H-2/CO ratios.
}, keywords = {Carbon dioxide reforming, Catalysts, Citrate gel method, Doped catalysts, Dry reforming, Methane reforming, Perovskites, Reverse water gas shift, Ruthenium doped catalysts, Strontium titanate, Syngas}, issn = {0376-4710}, author = {Gurav, Hanmant R. and Bobade, Richa and Das, Vineetha Lakshmi and Chilukuri, Satyanarayana V.} } @article { ISI:000312233600006, title = {Carbon nanoscrolls by pyrolysis of a polymer}, journal = {Solid State Communications}, volume = {152}, number = {23}, year = {2012}, month = {DEC}, pages = {2092-2095}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
3D network of carbon nanoscrolls was synthesized starting from pyrolysis of poly(acrylic acid-co-maleic acid) sodium salt. It is a catalyst-free process where pyrolysis of polymer leads to formation of carbon form and sodium carbonate. Upon water soaking of pyrolysis product, the carbon form undergoes self-assembly to form carbon nanoscrolls. The interlayer distance between the walls of carbon nanoscroll was found to be 0.34 nm and the carbon nanoscrolls exhibited a surface area of 188 m(2)/g as measured by the BET method. (c) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon nanoscrolls, Polymer, Pyrolysis, supercapacitor}, issn = {0038-1098}, doi = {10.1016/j.ssc.2012.08.029}, author = {Yadav, Prasad and Warule, Sambhaji and Jog, Jyoti Prakash and Ogale, Satishchandra B.} } @article { ISI:000312061000043, title = {Ce-Ni mixed oxide as efficient catalyst for H-2 production and nanofibrous carbon material from ethanol in the presence of water}, journal = {RSC Advances}, volume = {2}, number = {25}, year = {2012}, month = {AUG}, pages = {9626-9634}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Hydrogen production from ethanol steam reforming (H2O/C2H5OH = 3) was studied over Ce-Ni based catalysts issued from different preparation methods (co-precipitation (CP), impregnation (IMP) and incipient wetness impregnation (IWI)). Catalysts prepared by the CP method exhibit higher activity and much better stability compared to the other two types of catalysts. The Ni1CeOY-CP catalyst is able to completely convert ethanol at 450 degrees C to H-2, CO2 and CH4 (almost no CO is observed), with a H-2 yield of 3 moles of hydrogen produced per mole of ethanol converted. A very high H-2 yield of 4.6 mol mol(EtOH)(-1) is achieved over the Ni1CeOY-CP mixed oxide at 650 degrees C. Correlations between the preparation method, catalytic activity and stability, and type of carbon deposition are discussed. The CP method forms very active small sized NiO (15 nm) and CeO2 (4 nm) nanoparticles, leading to the formation of a lower amount of carbon deposition in the form of nanofibrous carbon materials, the size of which depends on the Ni related nanoparticles. For CP catalysts, the graphitic filaments obtained correspond to carbon nanofibers (CNFs) and carbon nanotubes (CNTs) with a much smaller and homogenous size compared to the filamentous carbon formed over the catalysts issued from the other preparation methods, in relation to the active particles size. The catalytic stability is attributed to the type of carbon formed.
}, issn = {2046-2069}, doi = {10.1039/c2ra21701e}, author = {Fang, Wenhao and Pirez, Cyril and Capron, Mickael and Paul, Sebastien and Raja, Thirumalaiswamy and Dhepe, Paresh Laxmikant and Dumeignil, Franck and Jalowiecki-Duhamel, Louise} } @article { ISI:000299911600015, title = {Challenges and opportunities in biofuels production}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {1-2}, year = {2012}, month = {JAN}, pages = {174-185}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
Biofuels are attractive alternative to petroleum diesel. They are renewable, non-toxic, biodegradable, carbon neutral and lead to reduced tailpipe emissions. This article presents the current state-of-art processes of their production and discusses the opportunities and future challenges in this area of research.
}, keywords = {Biodiesel, biofuels, Deoxygenation, Hydrotreatment, Renewable fuels, Solid catalysts, Transesterification (fatty acid glycerides), Vegetable oils/fats}, issn = {0376-4710}, author = {Srinivas, Darbha and Satyarthi, Jitendra Kumar} } @article { ISI:000307537300043, title = {Characterization of a new bacillus cereus ATUAVP1846 strain producing penicillin V acylase, and optimization of fermentation parameters}, journal = {Annals of Microbiology}, volume = {62}, number = {3}, year = {2012}, month = {SEP}, pages = {1287-1293}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Penicillin acylases are involved chiefly in the industrial production of semisynthetic penicillins, which remain the most widely used group of antibiotics. We have isolated a new bacterial strain ATUAVP1846 that produces penicillin V acylase (PVA). Phylogenetic analysis using 16S rRNA sequencing showed 99.37\% homology with Bacillus cereus. Maximum PVA production was observed with B. cereus ATUAVP1846 at 30A degrees C, pH 7 after 24 h fermentation time under submerged conditions. Highest enzyme productivity was achieved using sucrose as carbon source, and tryptone and ammonium hydrogen phosphate as nitrogen sources. Minimal medium containing 0.4\% glucose and 0.3\% ammonium hydrogen phosphate was found to be optimal for maximum PVA production from B. cereus ATUAVP1846. The crude enzyme from B. cereus ATUAVP1846 was partially purified using ammonium sulfate fractionation and showed highest enzymatic activity in the hydrolysis of penicillin V at 40A degrees C and pH 6. The crude enzyme preparation also showed unique substrate specificity, preferring ampicillin and cephalexin over penicillin V.
}, keywords = {16S rRNA, Bacillus cereus, isolation, Ntn hydrolase, Optimization, Penicillin acylase}, issn = {1590-4261}, doi = {10.1007/s13213-011-0374-7}, author = {Sunder, Avinash Vellore and Kumar, Atul and Naik, Neha and Pundle, Archana V.} } @article { ISI:000303153800009, title = {Characterization of biocompatible NiCo2O4 nanoparticles for applications in hyperthermia and drug delivery}, journal = {Nanomedicine-Nanotechnology Biology and Medicine}, volume = {8}, number = {4}, year = {2012}, month = {MAY}, pages = {452-459}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Monodispersed, superparamagnetic nickel cobaltite (NCO) nanoparticles were functionalized using mercaptopropionic acid (MPA). MPA conjugates with NCO forming a metal-carboxylate linkage, with the MPA-MPA interaction occurring via formation of disulfide bonds, leaving another carboxyl end free for additional conjugation. The cytotoxicity studies on NCO-MPA show cell viability of similar to 100\% up to a dosage of 40 mu g/mL on SiHa, MCF7, and B16F10 cell lines, and on mouse primary fibroblasts. Time-dependent cell viability studies done for a duration of 72 hours showed the cell lines{\textquoteright} viability up to 80\% for dosages as high as 80 mu g/mL. Negligible leaching (\<5 ppm) of ionic Co or Ni was noted into the delivery medium. Upon subjecting the NCO-MPA dispersion (0.1 mg/mL) to radiofrequency absorption, the nanoparticles were heated to 75 degrees C within 2 minutes, suggesting its promise as a magnetic hyperthermia agent. Furthermore, the amino acid lysine and the drug cephalexin were successfully adducted to the NCO system, suggesting its potential for drug delivery. From the Clinical Editor: NCO-MPA nanopartciles were found to be promising magnetic hyperthermia agents, suggesting potential future clinical applications. (C) 2012 Elsevier Inc. All rights reserved.
}, keywords = {Cytotoxicity, drug delivery, Magnetic hyperthermia, Magnetic nanoparticles}, issn = {1549-9634}, doi = {10.1016/j.nano.2011.07.010}, author = {Kale, Sangeeta N. and Jadhav, Anil D. and Verma, Seema and Koppikar, Soumya J. and Kaul-Ghanekar, Ruchika and Dhole, Sanjay D. and Ogale, Satishchandra B.} } @article { ISI:000302770700013, title = {Characterization of smallest active monomeric lipase from novel rhizopus strain: application in transesterification}, journal = {Applied Biochemistry and Biotechnology}, volume = {166}, number = {7}, year = {2012}, month = {APR}, pages = {1769-1780}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
An extracellular lipase-producing fungus was isolated from oil-rich soil. This fungus belongs to the genus Rhizopus and clades with Rhizopus oryzae. Lipase was purified to homogeneity from this novel fungal source using ammonium sulphate precipitation followed by Q-Sepharose chromatography. The extracellular lipase was purified 8.6-fold, and enzymatic properties were studied. The molecular mass of the purified enzyme was estimated to be 17 kD by sodium dodecyl sulphate-polyacrylamide gel electrophoresis and 16.25 kD by matrix-assisted laser desorption ionization/time-of-flight analysis. The native molecular mass was estimated to be 17.5 kD by gel filtration, indicating the protein to be monomer. The optimum pH and temperature for the enzyme catalysis were 7.0 A degrees C and 40 A degrees C, respectively. Enzyme was stable in pH range 6.0-7.0 and retains 95-100\% activity when incubated at 50 A degrees C for 1 h. The pI of the purified lipase was 4.2. Enzyme was stable in the organic solvents such as ethanol, hexane and methanol for 2 h. Purified enzyme was used for transesterification of oleic acid in the presence of ethanol for production of oleic acid ethyl ester with a conversion efficiency of 66\% after 24 h at 30 A degrees C.
}, keywords = {Lipase, Low molecular weight, Purification, Rhizopus, transesterification}, issn = {0273-2289}, doi = {10.1007/s12010-012-9584-0}, author = {Kantak, Jayshree B. and Prabhune, Asmita} } @article { ISI:000309072200065, title = {Charge transport in functionalized multi-wall carbon nanotube-Nafion composite}, journal = {Journal of Applied Physics}, volume = {112}, number = {5}, year = {2012}, month = {SEP}, pages = {053706}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
The charge transport in sulfonated multi-wall carbon nanotube (sMWNT)-Nafion composite is reported. The scanning electron microscope images of the composite, at 1 and 10 wt \% of sMWNT, show that the nanotubes are well dispersed in polymer matrix, with conductivity values of 0.005 and 3.2 S/cm, respectively; and the percolation threshold is nearly 0.42 wt. \%. The exponent (similar to 0.25) of the temperature dependence of conductivity in both samples indicates Mott{\textquoteright}s variable range hopping (VRH) transport. The conductance in 1 wt. \% sample increases by three orders of magnitude at high electric-fields, consistent with VRH model. The negative magnetoresistance in 10 wt. \% sample is attributed to the forward interference scattering mechanism in VRH transport. The ac conductance in 1 wt. \% sample is expressed by sigma(omega) proportional to omega(s), and the temperature dependence of s follows the correlated barrier hopping model. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4749264]
}, issn = {0021-8979}, doi = {10.1063/1.4749264}, author = {Sangeeth, C. S. Suchand and Kannan, Ramaiyan and Pillai, Vijayamohanan K. and Menon, Reghu} } @article { ISI:000296558300011, title = {Chemical deposition of CuInSe2 thin films by photoelectrochemical applications}, journal = {Journal of Alloys and Compounds}, volume = {511}, number = {1}, year = {2012}, month = {JAN}, pages = {50-53}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Copper indium diselenide films have been synthesized by chemical bath deposition method. The configuration of fabricated cell is n-CuInSe2|NaOH (1 M) + S (1 M) + Na2S (1 M)|C-(graphite). The photoelectrochemical cell characterization of the films is carried out by studying current-voltage characteristics in dark, capacitance-voltage in dark, barrier height measurements, power output, photoresponse and spectral response. The study shows that CuInSe2 thin films are n-type conductivity. The junction ideality factor is found to be 3.81. The flat band potential is found to be 0.763 V. The barrier height value is found to be 0.232 eV. The study of power output characteristic shows open circuit voltage, short circuit current, fill factor and efficiency are found to be 310 mV, 20 mu A, 42.12\% and 0.82\%, respectively. Photoresponse shows lighted ideality factor which is 2.92. Spectral response shows the maximum current observed at 650 nm. (C) 2011 Published by Elsevier B.V.
}, keywords = {Chemical bath deposition, Flat band potential, Photo response, Power output, Spectral response}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2011.04.084}, author = {Hankare, P. P. and Rathod, K. C. and Chate, P. A. and Garadkar, K. M. and Sathe, D. J. and Mulla, Imtiaz S.} } @article {43321, title = {ChIP-Seq data analysis: identification of protein-DNA binding sites with SISSRs peak-finder}, journal = {Methods in molecular biology}, volume = {802}, year = {2012}, month = {JAN}, pages = {305-22}, abstract = {Protein-DNA interactions play key roles in determining gene-expression programs during cellular development and differentiation. Chromatin immunoprecipitation (ChIP) is the most widely used assay for probing such interactions. With recent advances in sequencing technology, ChIP-Seq, an approach that combines ChIP and next-generation parallel sequencing is fast becoming the method of choice for mapping protein-DNA interactions on a genome-wide scale. Here, we briefly review the ChIP-Seq approach for mapping protein-DNA interactions and describe the use of the SISSRs peak-finder, a software tool for precise identification of protein-DNA binding sites from sequencing data generated using ChIP-Seq.}, doi = {10.1007/978-1-61779-400-1_20}, author = {Narlikar, Leelavati and Jothi, Raja} } @article { ISI:000303437600007, title = {Chiral crystals from an achiral molecule: 4,6-di-O-benzyl-1,3-O-benzylidene-2-O-(4-methoxybenzyl)-myo-5-inosose}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {68}, number = {5}, year = {2012}, month = {MAY}, pages = {O183-O187}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
The title achiral compound, C35H34O7, crystallizes in the chiral monoclinic space group P21. The molecules are densely packed to form a helical assembly along the crystallographic twofold screw axis via CH...O and CH...p interactions. Interestingly, the unit-translated helical chains are loosely connected via a rather uncommon edge-to-edge PhH...HPh short contact (H...H = 2.33 angstrom).
}, issn = {0108-2701}, doi = {10.1107/S0108270112010001}, author = {Gurale, Bharat P. and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000312519900005, title = {Cholesterol modulates the structure, binding modes, and energetics of caveolin-membrane interactions}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {50}, year = {2012}, month = {DEC}, pages = {14556-14564}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Caveolin-1 (cav-1) is an important membrane protein that plays a vital role in cellular signaling and trafficking by organizing membrane domains. The peptide interacts with cholesterol-rich membranes and induces large morphological changes in them, forming microdomains such as caveolae. Here, we use coarse-grain molecular dynamics simulations to study the interaction of cav-1 peptides with several model bilayer systems mimicking biological scenarios, such as cholesterol-rich domains, cholesterol-depleted domains, and unsaturated lipid domains. We show that cholesterol modulates the depth as well as orientation of cav-1 binding to membranes. Furthermore, the presence of cholesterol stabilizes more open conformations of cav-1, and we speculate that the binding modes and open conformations could be responsible for inducing morphological changes in the bilayer. We also calculated the partitioning free energy to different bilayers and show that binding to cholesterol-rich bilayers is more favorable than cholesterol-depleted bilayers and the binding to unsaturated bilayers is the least favorable. Binding to cholesterol-rich bilayers also changes the pressure profile of the bilayer to which it is bound and thereby affects the local spontaneous curvature. Our results highlight molecular details of protein-lipid interplay and provide new insights into the effects of cav-1 in tuning the morphology of cholesterol-rich membranes.
}, issn = {1520-6106}, doi = {10.1021/jp3077886}, author = {Sengupta, Durba} } @article { ISI:000306642100056, title = {Cholesterol-tethered platinum II-based supramolecular nanoparticle increases antitumor efficacy and reduces nephrotoxicity}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {109}, number = {28}, year = {2012}, month = {JUL}, pages = {11294-11299}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {
Nanoscale drug delivery vehicles have been harnessed extensively as carriers for cancer chemotherapeutics. However, traditional pharmaceutical approaches for nanoformulation have been a challenge with molecules that exhibit incompatible physicochemical properties, such as platinum-based chemotherapeutics. Here we propose a paradigm based on rational design of active molecules that facilitate supramolecular assembly in the nanoscale dimension. Using cisplatin as a template, we describe the synthesis of a unique platinum (II) tethered to a cholesterol backbone via a unique monocarboxylato and O -\> Pt coordination environment that facilitates nanoparticle assembly with a fixed ratio of phosphatidylcholine and 1,2-distearoyl-sn-glycero-3-phosphoethanolamine- N-[amino (polyethylene glycol)-2000]. The nanoparticles formed exhibit lower IC50 values compared with carboplatin or cisplatin in vitro, and are active in cisplatin-resistant conditions. Additionally, the nanoparticles exhibit significantly enhanced in vivo antitumor efficacy in murine 4T1 breast cancer and in K-Ras(LSL/+/)Pten(fl/fl) ovarian cancer models with decreased systemic- and nephro-toxicity. Our results indicate that integrating rational drug design and supramolecular nanochemistry can emerge as a powerful strategy for drug development. Furthermore, given that platinum-based chemotherapeutics form the frontline therapy for a broad range of cancers, the increased efficacy and toxicity profile indicate the constructed nanostructure could translate into a nextgeneration platinum-based agent in the clinics.
}, keywords = {chemotherapy, nanomedicine}, issn = {0027-8424}, doi = {10.1073/pnas.1203129109}, author = {Sengupta, Poulomi and Basu, Sudipta and Soni, Shivani and Pandey, Ambarish and Roy, Bhaskar and Oh, Michael S. and Chin, Kenneth T. and Paraskar, Abhimanyu S. and Sarangi, Sasmit and Connor, Yamicia and Sabbisetti, Venkata S. and Kopparam, Jawahar and Kulkarni, Ashish and Muto, Katherine and Amarasiriwardena, Chitra and Jayawardene, Innocent and Lupoli, Nicola and Dinulescu, Daniela M. and Bonventre, Joseph V. and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article { ISI:000300490500018, title = {Clare: cracking the language of regulatory elements}, journal = {Bioinformatics}, volume = {28}, number = {4}, year = {2012}, month = {FEB}, pages = {581-583}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {
CLARE is a computational method designed to reveal sequence encryption of tissue- specific regulatory elements. Starting with a set of regulatory elements known to be active in a particular tissue/process, it learns the sequence code of the input set and builds a predictive model from features specific to those elements. The resulting model can then be applied to user-supplied genomic regions to identify novel candidate regulatory elements. CLARE{\textquoteright}s model also provides a detailed analysis of transcription factors that most likely bind to the elements, making it an invaluable tool for understanding mechanisms of tissue- specific gene regulation.
}, issn = {1367-4803}, doi = {10.1093/bioinformatics/btr704}, author = {Taher, Leila and Narlikar, Leelavati and Ovcharenko, Ivan} } @article { ISI:000302573400003, title = {Cloning, characterization and impact of up- and down-regulating subabul cinnamyl alcohol dehydrogenase (CAD) gene on plant growth and lignin profiles in transgenic tobacco}, journal = {Plant Growth Regulation}, volume = {66}, number = {3}, year = {2012}, month = {APR}, pages = {239-253}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Both cDNA including 5{\textquoteright}UTR and 3{\textquoteright}UTR and genomic clones of cinnamyl alcohol dehydrogenase (CAD) were isolated and characterized from a pulp-yielding leguminous tree Leucaena leucocephala (LlCAD1). The deduced amino acid sequence shared high identity with orthologous sequences of Acacia mangium x Acacia auriculiformis (83\%), Medicago sativa (83\%), Nicotiana tabaccum (83\%) and Aralia cordata (81\%). Full length cDNA contained 78 bases of 5{\textquoteright}UTR and 283 bases of 3{\textquoteright}UTR, while the genomic clone contained 5 exons and 4 introns. Western blot analysis revealed elevated expression of LlCAD1 in seedling roots and shoots compared to leaves. Sense and antisense CAD tobacco transgenics showed increased and reduced CAD activity accompanied by a change in monomeric lignin composition. Histochemical staining of lignin in down-regulated plants suggested an increase in aldehyde units and a decrease in S/G ratio. Down-regulation of CAD resulted in accumulation of syringic, ferulic, p-coumaric and sinapic acids compared to untransformed controls. These observations were validated by anatomical studies of down-regulated transgenic stems which showed thin walled, elongated phloem and xylem fibres, accompanied by a reduction in the density of vessel elements and amount of secondary xylem when compared to untransformed plants. Furthermore, Klason lignin analysis of CAD antisense transgenics showed 7-32\% reduced lignin and normal phenotype as compared to untransformed plants. Such a reduction was not noticed in up-regulated transgenics. These results demonstrate a unique opportunity to explore the significant role that down-regulation of CAD gene plays in reducing lignin content thereby offering potential benefits to the pulp and paper industry.
}, keywords = {Cinnamyl alcohol dehydrogenase, Lignin down-regulation, Subabul (Leucaena leucocephala), Tobacco}, issn = {0167-6903}, doi = {10.1007/s10725-011-9647-1}, author = {Sirisha, V. L. and Prashant, S. and Kumar, D. Ranadheer and Pramod, S. and Jalaja, N. and Kumari, P. Hima and Rao, P. Maheshwari and Rao, S. Nageswara and Mishra, Preeti and Karumanchi, S. Rao and Khan, Bashir Mohammad and Kishor, P. B. Kavi} } @article { ISI:000302637800012, title = {CN-assisted oxidative cyclization of cyano cinnamates and styrene derivatives: a facile entry to 3-substituted chiral phthalides}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {18}, year = {2012}, month = {MAR}, pages = {3655-3661}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The asymmetric dihydroxylation (AD) of o-cyano cinnamates and styrene derivatives leads to efficient construction of chiral phthalide frameworks in high optical purities. This unique reaction is characterized by unusual synergism between CN and osmate groups resulting in rate enhancement of the AD process. The method is amply demonstrated by the synthesis and the structural/stereochemical assignment of the natural products.
}, issn = {1477-0520}, doi = {10.1039/c2ob25409c}, author = {Reddy, R. Santhosh and Kiran, I. N. Chaithanya and Sudalai, Arumugam} } @article {43249, title = {Comparative genomics of the apicomplexan parasites toxoplasma gondii and neospora caninum: coccidia differing in host range and transmission strategy}, journal = {Plos Pathogens}, volume = {8}, year = {2012}, month = {MAR}, abstract = {Toxoplasma gondii is a zoonotic protozoan parasite which infects nearly one third of the human population and is found in an extraordinary range of vertebrate hosts. Its epidemiology depends heavily on horizontal transmission, especially between rodents and its definitive host, the cat. Neospora caninum is a recently discovered close relative of Toxoplasma, whose definitive host is the dog. Both species are tissue-dwelling Coccidia and members of the phylum Apicomplexa; they share many common features, but Neospora neither infects humans nor shares the same wide host range as Toxoplasma, rather it shows a striking preference for highly efficient vertical transmission in cattle. These species therefore provide a remarkable opportunity to investigate mechanisms of host restriction, transmission strategies, virulence and zoonotic potential. We sequenced the genome of N. caninum and transcriptomes of the invasive stage of both species, undertaking an extensive comparative genomics and transcriptomics analysis. We estimate that these organisms diverged from their common ancestor around 28 million years ago and find that both genomes and gene expression are remarkably conserved. However, in N. caninum we identified an unexpected expansion of surface antigen gene families and the divergence of secreted virulence factors, including rhoptry kinases. Specifically we show that the rhoptry kinase ROP18 is pseudogenised in N. caninum and that, as a possible consequence, Neospora is unable to phosphorylate host immunity-related GTPases, as Toxoplasma does. This defense strategy is thought to be key to virulence in Toxoplasma. We conclude that the ecological niches occupied by these species are influenced by a relatively small number of gene products which operate at the host-parasite interface and that the dominance of vertical transmission in N. caninum may be associated with the evolution of reduced virulence in this species.}, doi = {10.1371/journal.ppat.1002567}, author = {Reid, Adam James and Vermont, Sarah J. and Cotton, James A. and Harris, David and Hill-Cawthorne, Grant A. and Koenen-Waisman, Stephanie and Latham, Sophia M. and Mourier, Tobias and Norton, Rebecca and Quail, Michael A. and Sanders, Mandy and Shanmugam, Dhanasekaran and Sohal, Amandeep and Wasmuth, James D. and Brunk, Brian and Grigg, Michael E. and Howard, Jonathan C. and Parkinson, John and Roos, David S. and Trees, Alexander J. and Berriman, Matthew and Pain, Arnab and Wastling, Jonathan M.} } @article { ISI:000310005700032, title = {Comparing the interactions of DNA, polyamide (PNA) and polycarbamate nucleic acid (PCNA) oligomers with graphene oxide (GO)}, journal = {Physical Chemistry Chemical Physics}, volume = {14}, number = {43}, year = {2012}, month = {SEP}, pages = {15003-15006}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The fluorescently labelled short octameric oligothymine sequences of DNA, PNA and PCNA were used in fluorescence quenching studies in conjunction with dispersed graphene oxide. The measurable restoration of their fluorescence by complementary oligodeoxyadenylate was compared. This is the first study aimed at replacing the natural DNA probes with synthetic DNA mimics that show excellent properties in terms of formation of very strong duplexes with cDNA in addition to their stability towards proteases and nucleases.
}, issn = {1463-9076}, doi = {10.1039/c2cp42770b}, author = {Kotikam, Venubabu and Fernandes, Moneesha and Kumar, Vaijayanti Anil} } @article { ISI:000300887700023, title = {Competition between gelation and crystallisation of a peculiar multicomponent liquid system based on ammonium salts}, journal = {Soft Matter}, volume = {8}, number = {12}, year = {2012}, month = {FEB}, pages = {3446-3456}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An exemplar competition between gelation and crystallisation phenomena was examined with an unusual synergistic multicomponent (organo) gelator solution (MGS), which consists of a well-defined methanolic solution of (1R, 2R)-1,2-diaminocyclohexane L-tartrate containing 2.4 equiv. of concentrated hydrochloric acid. The optimal composition of the MGS was determined through meticulous solubility, gelation and structural studies, which support a transient gelation mechanism based on the kinetic self-assembly of the tartrate salt driven by hydrogen-bonding interactions, involving ammonium nitrogen donors and hydroxyl oxygen acceptors, and electrostatic interactions. The hydrochloric acid is involved in the solubilisation of the salt through an ionic dissociation-exchange process, which ends up with the formation-precipitation of (1R, 2R)-1,2-diaminocyclohexane dihydrochloride. As a consequence, an irreversible destruction of the gel takes place, which indicates the metastable nature of this phase that cannot be accessed from the thermodynamically equilibrated state. Gelation of a variety of oxygenated and nitrogenated solvents with moderate polarity occurred efficiently using extremely low MGS concentrations at low temperatures, and the gel phase was confirmed by dynamic rheological measurements. Several features make the described MGS unique: (1) it is a multicomponent solution where each component and its stoichiometry play a key role in the reproducible formation and stabilization of the gels; (2) it is formed by simple, small, and commercially available chiral building blocks (dissolved in a well-defined solvent system), which are easily amenable for further modifications; (3) the gelation phenomenon takes place efficiently at low temperature upon warming up the isotropic solution, conversely to the typical gel preparation protocol; and (4) the formed organogels are not thermoreversible despite the non-covalent interactions that characterize the 3D-network.
}, issn = {1744-683X}, doi = {10.1039/c2sm07183e}, author = {Kapoor, Iti and Schoen, Eva-Maria and Bachl, Jurgen and Kuehbeck, Dennis and Cativiela, Carlos and Saha, Subhadeep and Banerjee, Rahul and Roelens, Stefano and Juan Marrero-Tellado, Jose and Diaz, David Diaz} } @article { ISI:000305766800017, title = {Computational fluid dynamics modelling of solid suspension in stirred tanks}, journal = {Current Science}, volume = {102}, number = {11}, year = {2012}, month = {JUN}, pages = {1539-1551}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Solid suspension and mixing are crucial in many important processes, including multiphase catalytic reactions, crystallization, precipitation, etc. In recent years, various efforts have been made to numerically simulate solid-liquid flows in stirred vessels using computational fluid dynamics (CFD). In this article, we present a brief account of our group{\textquoteright}s efforts at developing and using CFD models for simulating solid suspension in stirred tanks. Computational models were developed and evaluated by comparing model predictions with our data as well as published experimental data. A variety of experimental techniques ranging from torque and wall pressure fluctuations to ultrasound velocity profiler were used. Efforts were made to develop appropriate sub-models for capturing influence of the prevailing turbulence and solid volume fraction on effective inter-phase coupling terms. A hysteresis in variation of the height of the cloud of suspended solid with impeller rotational speed was observed. The hysteresis, besides having applications in realizing better suspension at lower effective power consumption, also offers an attractive evaluation test for CFD models. A new way to carry out dynamic settling of solid cloud by sudden impeller stoppage has been developed. The approach, models and results presented here will be useful for extending applications of CFD models for simulating industrial stirred slurry reactors as well as further research in the field.
}, keywords = {computational fluid dynamics, hysteresis, solid suspension, stirred tanks}, issn = {0011-3891}, author = {Sardeshpande, Madhavi V. and Ranade, Vivek V.} } @article { ISI:000307128500003, title = {Computational investigation of the role of the iridium dihydrogen pincer complex in the formation of the cyclic pentamer (NH2BH2)(5)}, journal = {Computational and Theoretical Chemistry}, volume = {992}, year = {2012}, month = {JUL}, pages = {18-29}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Computational studies with density functional theory (DFT) and MP2 have been done to investigate the interaction between the iridium dihydrogen pincer complex: (POCOP)IrH2 (where POCOP = eta(3)-1,3(OPt-Bu-2)(2)C6H3) and NH2BH2, the immediate product of ammonia borane (NH3BH3) dehydrogenation. A mechanism has been proposed for an oligomerisation process at the metal centre that involves competition between (i) insertion of an NH2BH2 molecule into the (NH2BH2)(n) chain and (ii) termination of the chain leading to the formation of the cyclic (NH2BH2)(n) oligomer. The calculated Delta G values show that the competition favours insertion over termination for the cases n = 1 to n = 4 but favours termination for n = 5. The computational studies therefore indicate that the cyclic pentamer (NH2BH2)(5) would be formed during NH3BH3 dehydrogenation by the (POCOP)IrH2 catalyst, agreeing with experimental findings. The mechanistic understanding gained has implications for the facile regeneration of ammonia borane. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Ammonia borane, Hydrogen storage, Iridium pincer ligand catalyst, Mechanistic studies, Oligomerisation cycle}, issn = {2210-271X}, doi = {10.1016/j.comptc.2012.04.020}, author = {Ghatak, Kamalika and Vanka, Kumar} } @article { ISI:000304851500004, title = {Concise synthesis of (+)-deoxoprosophylline via Co(III)(salen)-catalyzed two stereocentered HKR of racemic azido epoxides}, journal = {Tetrahedron Letters}, volume = {53}, number = {26}, year = {2012}, month = {JUN}, pages = {3213-3215}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient synthesis of (+)-deoxoprosophylline has been achieved in high optical purity (99\% ee) from readily available cis-2-butene-1,4-diol. The strategy employs Co-catalyzed Hydrolytic Kinetic Resolution (HKR) of two stereocentered racemic azido epoxides and diastereoselective intramolecular reductive cyclization as key reactions. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Azido epoxide, Hydrolytic kinetic resolution, Piperidine, Wittig olefination}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.04.067}, author = {Devalankar, Dattatray A. and Sudalai, Arumugam} } @article { ISI:000313298000007, title = {Conducting polyanilline based paints on hot dip galvanized low carbon steel for corrosion protection}, journal = {Bulgarian Chemical Communications}, volume = {44}, number = {4}, year = {2012}, month = {JAN}, pages = {318-323}, publisher = {BULGARIAN ACAD SCIENCE}, type = {Article}, address = {CENTRAL LIBRARY 7 NOEMVRI NO 1, SOFIA, 00000, BULGARIA}, abstract = {
Conducting polyaniline based paints have been applied on hot dip galvanized low carbon steel samples. The corrosion protection performance of these paint coatings was evaluated by using Tafel plots and impedance spectroscopy. It was found that the paint coatings offered significant corrosion protection to hot dip galvanized low carbon steel in aqueous 3.5 wt \% NaCl solution.
}, keywords = {Conducting polyaniline based paints, corrosion prevention, hot dip galvanized low carbon steel}, issn = {0324-1130}, author = {Deshpande, P. and Vagge, S. and Jagtap, Sharmili and Khiarnar, R. and Kelkar, Sarika A. and More, Minal} } @article { ISI:000303281500046, title = {Confinement of zinc oxide nanoparticles in ordered mesoporous silica MCM-41}, journal = {Materials Chemistry and Physics}, volume = {133}, number = {2-3}, year = {2012}, month = {APR}, pages = {850-856}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Mesoporous silica (MS) and zinc loaded MS composites have been synthesized and characterized using high resolution transmission electron microscopy, X-ray diffraction, UV-visible spectroscopy, photoluminescence spectroscopy, N-2 adsorption-desorption isotherms, X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy. Thermal treatment of the zinc loaded MS composite lead to the formation of ZnO-MS composite. The well ordered uniform pore structure of MS (pore size similar to 3.4 nm) is found to remain stable even after 30\% Zn loading albeit decrease in the pore size 1.2 nm indicates the formation of ZnO inside the pores. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Defect, Energy spectroscopy for chemical analysis (ESCA), Mesoporous, Photoluminescence spectroscopy, Surface properties}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2012.01.106}, author = {Lihitkar, P. B. and Violet, Samuel and Shirolkar, Mandar and Singh, Jai and Srivastava, O. N. and Naik, R. H. and Kulkarni, S. K.} } @article { ISI:000310215400007, title = {Conformational modulation of Ant-Pro oligomers using chirality alteration of proline residues}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {42}, year = {2012}, month = {SEP}, pages = {8426-8433}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Structural modulation of Ant-Pro (anthranilic acid-proline) oligomers has been carried out by chirality alteration of the proline residues. The results suggest that the chirality altered oligomers show well-defined helical conformation featuring nine-membered hydrogen bonding interactions - without compromising conformational rigidity.
}, issn = {1477-0520}, doi = {10.1039/c2ob26132d}, author = {Kale, Sangram S. and Kotmale, Amol S. and Dutta, Achintya Kumar and Pal, Sourav and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article {Dutta Chowdhury, title = {Conformational transitions of the catalytic domain of heme-regulated eukaryotic initiation factor 2 alpha kinase, a key translational regulatory molecule}, journal = {Journal of Fluorescence}, volume = {22}, number = {1}, year = {2012}, month = {JAN}, pages = {431-441}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
In mammalian cells, the heme-regulated inhibitor (HRI) plays a critical role in the regulation of protein synthesis at the initiation step through phosphorylation of a-subunit of the eukaryotic initiation factor 2 (eIF2). In this study we have cloned and performed biophysical characterization of the kinase catalytic domain (KD) of rabbit HRI. The KD described here comprises kinase 1, the kinase insertion domain (KI) and kinase 2. We report here the existence of an active and stable monomer of HRI (KD). The HRI (KD) containing three tryptophan residues was examined for its conformational transitions occurring under various denaturing conditions using steady-state and time-resolved tryptophan fluorescence, circular dichroism (CD) and hydrophobic dye binding. The parameter A and phase diagram analysis revealed multi-state unfolding and existence of three stable intermediates during guanidine hydrochloride (Gdn-HCl) induced unfolding of HRI (KD). The protein treated with 6 M Gdn-HCl showed collisional and static mechanism of acrylamide quenching and the constants (K-sv=3.08 M-1 and K-s=5.62 M-1) were resolved using time resolved fluorescence titration. Based on pH, guanidine hydrochloride and temperature mediated transitions, HRI (KD) appears to exemplify a rigid molten globule-like intermediate with compact secondary structure, altered tertiary structure and exposed hydrophobic patches at pH 3.0. The results indicate the inherent structural stability of HRI (KD), a member of the class of stress response proteins.
}, keywords = {Circular dichroism (CD), eIF2 alpha kinase, Heme-regulated inhibitor, Molten globule, Steady-state and time-resolved fluorescence}, issn = {1053-0509}, doi = {10.1007/s10895-011-0976-2}, author = {Sreejith, R. K. and Suresh, C. G. and Bhosale, Siddharth H. and Bhavnani, Varsha and Kumar, Avinash and Gaikwad, Sushama M. and Pal, Jayanta K.} } @article { ISI:000304915100006, title = {Constrained variational approach for energy derivatives in Intermediate hamiltonian fock-space coupled-cluster theory}, journal = {Chemical Physics}, volume = {401}, year = {2012}, month = {JUN}, pages = {45-49}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Fock-space multi-reference coupled cluster theory is an efficient method for electronic structure of nearly degenerate cases. However, it suffers from the intruder state problem for large model space. The intermediate Hamiltonian formulation eliminates intruder state problem and helps in the convergence of equations. In this paper we have implemented intermediate Hamiltonian approach in Fock-space coupled cluster method for the response properties. We test our method for the dipole moments of doublet radicals. We report dipole moments of CN, SF and NS radicals. (C) 2011 Elsevier B. V. All rights reserved.
}, keywords = {Constrained variational approach, Fock-space multi-reference coupled cluster, Intermediate Hamiltonian theory, Response approach}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2011.10.018}, author = {Ghosh, Aryya and Gupta, Jitendra and Pal, Sourav and Vaval, Nayana} } @article { ISI:000304129100035, title = {Continuous dehydration and hydrogenolysis of glycerol over non-chromium copper catalyst: laboratory-scale process studies}, journal = {Organic Process Research \& Development}, volume = {16}, number = {5}, year = {2012}, month = {MAY}, pages = {1043-1052}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A non-chromium Cu:Al catalyst was developed for glycerol dehydration under N-2 atmosphere to acetol and hydrogenolysis to 1,2-propanediol (1,2-PDO). Among the various copper-based catalysts screened in this work, Cu:Al-1 catalyst showed the highest activity and acetol selectivity in water medium, whereas transfer hydrogenation in 2-propanol as the reaction medium led to the formation of 1,2-PDO (10-38\%). The same catalyst was also found to catalyze the direct hydrogenolysis of glycerol to 1,2-PDO. Time on stream activity (TOS) of our Cu:Al-1 catalyst for both continuous dehydration and hydrogenolysis of glycerol was found to be 400 h with an average glycerol conversion of 90\% and 65\%, respectively. Maximum acetol selectivity was 55\% while 1,2-PDO selectivity was 91\% in dehydration and hydrogenolysis reactions separately. Effects of various reaction conditions on conversion, selectivity, and global rates of the two processes were also investigated.
}, issn = {1083-6160}, doi = {10.1021/op200383r}, author = {Mane, Rasika B. and Rode, Chandrashekhar V.} } @article { ISI:000308310100032, title = {Control of porosity by using isoreticular zeolitic imidazolate frameworks (IRZIFs) as a template for porous carbon synthesis}, journal = {Chemistry-A European Journal}, volume = {18}, number = {36}, year = {2012}, month = {SEP}, pages = {11399-11408}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Herein, by using isoreticular zeolitic imidazolate frameworks (IRZIFs) as a template, we report the synthesis, morphology, and gas adsorption properties of porous carbon synthesized by a nanocasting method at 1000 degrees C, in which furfuryl alcohol (FA) was used as a carbon source. By using IRZIFs with variable porosity as templates, we could achieve control over the carbon porosity and H-2 and CO2 uptake. The resultant microporous carbon C-70, synthesized by using ZIF-70 as the template, is the most porous (Brunauer-Emmett-Teller (BET) surface area 1510 m(2)g(-1)). Carbon C-68, synthesized by using ZIF-68, has moderate porosity (BET surface area 1311 m(2)g(-1)), and C-69, synthesized by using ZIF-69, has the lowest porosity in this series (BET surface area 1171 m(2)g(-1)). The porous carbons C-70, C-68, and C-69, which have graphitic texture, have promising H2 uptake capacities of 2.37, 2.15, and 1.96 wt\%, respectively, at 77 K and 1 atm. Additionally, C-70, C-68, and C-69 show CO2 uptake capacities of 5.45, 4.98, and 4.54 mmolg(-1), respectively, at 273 K and 1 atm. The gas uptake trends shown by C-70, C-68, and C-69 clearly indicate the dependence of carbon porosity on the host template. Moreover, the as-synthesized carbons C-70, C-68, and C-69 show variable conductivity.
}, keywords = {Carbon, Hydrogen storage, metal-organic frameworks, microporous materials, zinc}, issn = {0947-6539}, doi = {10.1002/chem.201200957}, author = {Pachfule, Pradip and Biswal, Bishnu P. and Banerjee, Rahul} } @article { ISI:000299775500022, title = {Controlled release of nutrients to mammalian cells cultured in shake flasks}, journal = {Biotechnology Progress}, volume = {28}, number = {1}, year = {2012}, month = {JAN}, pages = {188-195}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Though cell culture-based protein production processes are rarely carried out under batch mode of operation, cell line and initial process development operations are usually carried out in batch mode due to simplicity of operation in widely used scale down platforms like shake flasks. Nutrient feeding, if performed, is achieved by bolus addition of concentrated feed solution at different intervals, which leads to large transient increases in nutrient concentrations. One negative consequence is increased waste metabolite production. We have developed a hydrogel-based nutrient delivery system for continuous feeding of nutrients in scale down models like shake flasks without the need for manual feed additions or any additional infrastructure. Continuous delivery also enables maintaining nutrient concentrations at low levels, if desired. The authors demonstrate the use of these systems for continuous feeding of glucose and protein hydrolysate to a suspension Chinese Hamster Ovary (CHO) culture in a shake flask. Glucose feeding achieved using the glucose-loaded hydrogel resulted in a 23\% higher integral viable cell density and an 89\% lower lactate concentration at the end of the culture when compared with a bolus-feed of glucose. (c) 2011 American Institute of Chemical Engineers Biotechnol. Prog., 2012
}, issn = {8756-7938}, doi = {10.1002/btpr.729}, author = {Hegde, Swati and Pant, Tejal and Pradhan, Ketaki and Badiger, Manohar V. and Gadgil, Mugdha} } @article { ISI:000303951600008, title = {Controlled synthesis of O-glycopolypeptide polymers and their molecular recognition by lectins}, journal = {Biomacromolecules}, volume = {13}, number = {5}, year = {2012}, month = {MAY}, pages = {1287-1295}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The facile synthesis of high molecular weight water-soluble O-glycopolypeptide polymers by the ring-opening polymerization of their corresponding N-carboxyanhydride (NCA) in very high yield (overall yield \> 70\%) is reported. The per-acetylated-O-glycosylated lysine-NCA monomers, synthesized using stable glycosyl donors and a commercially available protected amino acid in very high yield, was polymerized using commercially available amine initiators. The synthesized water-soluble glycopolypeptides were found to be alpha-helical in aqueous solution. However, we were able to control the secondary conformation of the glycopolypeptides (alpha-helix vs nonhelical structures) by polymerizing raceznic amino acid glyco NCAs. We have also investigated the binding of the glycopolypeptide poly(alpha-manno-O-lys) with the lectin Con-A using precipitation and hemagglutination assays as well as by isothermal titration calorimetry (ITC). The ITC results clearly show that the binding process is enthalpy driven for both alpha-helical and nonhelical structures, with negative entropic contribution. Binding stoichiometry for the glycopolypeptide poly(alpha-manno-O-lys) having a nonhelical structure was slightly higher as compared to the corresponding polypeptide which adopted an alpha-helical structure.
}, issn = {1525-7797}, doi = {10.1021/bm201813s}, author = {Pati, Debasis and Shaikh, Ashif Y. and Das, Soumen and Nareddy, Pavan Kumar and Swamy, Musti J. and Hotha, Srinivas and Sen Gupta, Sayam} } @article { ISI:000307188100016, title = {Conversion of cellulose to polyols over promoted nickel catalysts}, journal = {Catalysis Science \& Technology}, volume = {2}, number = {9}, year = {2012}, month = {MAY}, pages = {1852-1858}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Sorbitol is one of the key platform chemicals that can be applied to several industrial applications, including bio-fuels and hydrogen production. Presently there is no commercial heterogeneous catalytic process to produce sorbitol from cellulose due to the low yield and high cost of noble metals required for the conversion. In this paper we describe an aqueous phase hydrolysis-hydrogenation process to convert cellulose to sorbitol using a cheap Ni based catalyst. Monometallic Ni catalysts showed little activity for the reaction, but with the addition of a small amount of Pt to the Ni catalyst (Ni : Pt = 22 : 1 atom ratio), the activity was greatly enhanced. Results showed that the bimetallic Ni-Pt catalysts supported on mesoporous alumina gave a hexitol (sorbitol + mannitol) yield of 32.4\% compared to only 5\% with a Ni catalyst. Moreover, Ni-Pt supported on a mesoporous beta zeolite support provided even higher yield of 36.6\%. These results were obtained after only 6 hours of run at 200 degrees C and 50 bar H-2 pressure (at room temperature). The presence of a small amount of Pt promotes the protonation of water and hydrogen molecules, which spill over to Ni sites creating in situ acid sites to catalyse hydrolysis of cellulose.
}, issn = {2044-4753}, doi = {10.1039/c2cy20119d}, author = {Shrotri, Abhijit and Tanksale, Akshat and Beltramini, Jorge Norberto and Gurav, Hanmant and Chilukuri, Satyanarayana V.} } @article { ISI:000301225000022, title = {Converting ab initio energies to enthalpies of formation of free radicals. I. new atom equivalents for alkyl radicals}, journal = {Aiche Journal}, volume = {58}, number = {2}, year = {2012}, month = {FEB}, pages = {600-609}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
A simple method is presented to convert ab initio computed total energies to the standard enthalpy of formation (Delta H-f(o)) of a large number of saturated alkyl radicals (especially those that are relatively highly branched), for which experimental data are scarcely available. For this purpose a new set of radical atom-equivalents (AEQ) and their unique combinations were defined and the energy values of the latter assigned. The theory level and the basis set requirement for the quantum chemistry calculation of the molecular energy were found to be moderate. The Delta H-f(o) predictions appear to be quite accurate with reference to limited available experimental data and are better than values calculated by the group-additivity and the difference methods. The strategy provides an inexpensive way of harnessing the power of computational chemistry and combining it with the organization and insight from the group-additivity method sans any empirical corrections. (C) 2011 American Institute of Chemical Engineers AIChE J, 58: 600-609, 2012
}, keywords = {atom-equivalents, computational chemistry, enthalpy of formation, free radicals, goup additivity method}, issn = {0001-1541}, doi = {10.1002/aic.12596}, author = {Bhattacharya, Arijit} } @article { ISI:000306358100005, title = {Copper modified waste fly ash as a promising catalyst for glycerol hydrogenolysis}, journal = {Catalysis Today}, volume = {190}, number = {1}, year = {2012}, month = {AUG}, pages = {31-37}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Several catalyst formulations using waste fly ash along with Cu were prepared and characterised by XRD, BET and TEM. These catalysts were also evaluated for the first time for hydrogenolysis of glycerol to 1,2 propanediol (1,2-PDO) in a batch reactor under 52 bar H-2 pressure in the temperature range of 473-513 K conditions. The fly ash pretreated by alkali using the fusion method and impregnated with Cu showed higher activity and stability for glycerol hydrogenolysis. Due to pretreatment with alkali at high temperature, transformation of alpha-quartz to the tridymite phase of SiO2 occurred. More importantly, use of alkali either during the pretreatment or the Cu loading step resulted in a high dispersion on the surface which was responsible for higher glycerol conversion and 1,2-PDO selectivity. The effects of temperature, Cu loading and solvent on glycerol conversion and product selectivities were also studied in this work. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {1, 2-Propanediol, Alkali fusion, Cu loading, Fly ash, Glycerol hydrogenolysis}, issn = {0920-5861}, doi = {10.1016/j.cattod.2011.11.038}, author = {Rode, C. V. and Mane, R. B. and Potdar, A. S. and Patil, P. B. and Niphadkar, P. S. and Joshi, P. N.} } @article { ISI:000307187300030, title = {Correlation between coordinated water content and proton conductivity in Ca-BTC-based metal-organic frameworks}, journal = {Chemical Communications}, volume = {48}, number = {70}, year = {2012}, month = {JUL}, pages = {8829-8831}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Proton conductivity of five Ca-based MOFs which depends on the amount of water molecules coordinated to the Ca-centres has been reported. These MOFs show high temperature proton conductivity due to the strong hydrogen bonding between the lattice and coordinated water molecules.
}, issn = {1359-7345}, doi = {10.1039/c2cc34006b}, author = {Mallick, Arijit and Kundu, Tanay and Banerjee, Rahul} } @article { ISI:000306771600005, title = {Covalently anchored ruthenium-phosphine complex on mesoporous organosilica: catalytic applications in hydrogenation reactions}, journal = {Catalysis Communications}, volume = {25}, year = {2012}, month = {AUG}, pages = {22-27}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
New heterogeneous catalysts for alkene hydrogenation reactions were prepared by the immobilization of trimethoxysilane functionalized triphenylphosphine eta(6)-p-cymene ruthenium complex on mesoporous organosilica (PMO-Ru). Characterization techniques confirmed the structural integrity of the organosilica material and proved the successful anchoring of ruthenium complex. Catalytic activity and stability of PMO-Ru sample investigated in the hydrogenation of various olefins showed higher activity than a neat and MCM-41 supported ruthenium catalyst. High catalytic activity and stability of organosilica supported ruthenium catalyst are attributed to the hydrophobic environments and to the unique structural features imparted from the presence of organic groups in the framewall positions. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Heterogenization, Hydrogenation, Organosilica, ruthenium, Triphenyl phosphine}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.04.002}, author = {Sisodiya, Sheetal and Lazar, Anish and Shylesh, Sankaranarayanapillai and Wang, Lei and Thiel, Werner R. and Singh, Anand Pal} } @article { ISI:000309372100015, title = {Critical review of membrane bioreactor models - Part 2: Hydrodynamic and integrated models}, journal = {Bioresource Technology}, volume = {122}, number = {SI}, year = {2012}, month = {OCT}, pages = {107-118}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Membrane bioreactor technology exists for a couple of decades, but has not yet overwhelmed the market due to some serious drawbacks of which operational cost due to fouling is the major contributor. Knowledge buildup and optimisation for such complex systems can heavily benefit from mathematical modelling. In this paper, the vast literature on hydrodynamic and integrated MBR modelling is critically reviewed. Hydrodynamic models are used at different scales and focus mainly on fouling and only little on system design/optimisation. Integrated models also focus on fouling although the ones including costs are leaning towards optimisation. Trends are discussed, knowledge gaps identified and interesting routes for further research suggested. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {CFD, Costs, hydrodynamics, Integrated model, Modelling}, issn = {0960-8524}, doi = {10.1016/j.biortech.2012.05.071}, author = {Naessens, W. and Maere, T. and Ratkovich, N. and Vedantam, S. and Nopens, I.} } @article { ISI:000321004400040, title = {Crystal structure of (2S, 4R)-2-benzyl 1-tert-butyl 4-(tosyloxy)pyrrolidine-1,2-dicarboxylate, C24H29NO7S}, journal = {Zeitschrift Fur Kristallographie-New Crystal Structures}, volume = {227}, number = {3}, year = {2012}, month = {SEP}, pages = {361-362}, publisher = {OLDENBOURG VERLAG}, address = {LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY}, abstract = {
{C24H29NO7S, triclinic, P1 (no. 1)
}, issn = {1433-7266}, doi = {10.1524/ncrs.2012.0173}, author = {Ghosh, Munmun and Mallick, Arijit and Diaz, David Diaz} } @article { ISI:000301921300006, title = {Crystallization and X-ray structure analysis of a thermostable penicillin G acylase from alcaligenes faecalis}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {68}, number = {3}, year = {2012}, month = {MAR}, pages = {273-277}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
{The enzyme penicillin G acylase (EC 3.5.1.11) catalyzes amide-bond cleavage in benzylpenicillin (penicillin G) to yield 6-aminopenicillanic acid, an intermediate chemical used in the production of semisynthetic penicillins. A thermostable penicillin G acylase from Alcaligenes faecalis (AfPGA) has been crystallized using the hanging-drop vapour-diffusion method in two different space groups: C2221, with unit-cell parameters a = 72.9
}, keywords = {calcium binding, disulfide bridges, Ntn hydrolases, orthorhombic form, tetragonal form, Thermostability}, issn = {1744-3091}, doi = {10.1107/S1744309111053930}, author = {Varshney, Nishant Kumar and Kumar, R. Suresh and Ignatova, Zoya and Prabhune, Asmita and Pundle, Archana and Dodson, Eleanor J. and Suresh, C. G.} } @article { ISI:000309370500013, title = {Cu-II-exchanged montmorillonite K10 clay-catalyzed direct carboxylation of terminal alkynes with carbon dioxide}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1325-1329}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
A new, simple and straight-forward protocol for direct carboxylation of terminal alkynes has been developed using Cu-II-montmorillonite K10 clay as a heterogeneous catalyst and CO2 as the C1 carbon feedstock. Also coupling of terminal alkynes with CO2 (1 atm) in the presence of alkyl halides has been achieved under the same reaction conditions, thereby providing access to a variety of functionalized alkyl-2-alkynoates in high yields.
}, keywords = {Alkyl esters, Alkyne C-H activation, Carbon dioxide activation, Carboxylation, Catalysts, Montmorillonite clays}, issn = {0376-4710}, author = {Aher, Ravindra D. and Gade, Madhuri H. and Reddy, R. Santhosh and Sudalai, Arumugam} } @article { ISI:000312974300031, title = {CuO nanoparticles supported on silica: a simple, efficient, and recyclable catalyst for hydroacylation reactions of aldehydes with azodicarboxylate}, journal = {Chemistry Letters}, volume = {41}, number = {11}, year = {2012}, month = {NOV}, pages = {1484-1486}, publisher = {CHEMICAL SOC JAPAN}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
We describe a green and efficient procedure for the hydroacylation of aldehydes with diisopropyl azodicarboxylate, using CuO nanoparticles supported on silica (CuO-np/SiO2) as a catalyst, in good to excellent yields. A wide range of aldehydes, including aromatic and aliphatic compounds, were considered. The catalyst is found to be truly heterogeneous in the reaction mixture and can be reused without loss of catalytic activity.
}, issn = {0366-7022}, doi = {10.1246/cl.2012.1484}, author = {Inamdar, Suleman M. and More, Vinod K. and Mandal, Sisir K.} } @article { ISI:000302018600031, title = {Cu-ZrO2 nanocomposite catalyst for selective hydrogenation of levulinic acid and its ester to gamma-valerolactone}, journal = {Green Chemistry}, volume = {14}, number = {4}, year = {2012}, month = {FEB}, pages = {1064-1072}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Several copper based catalysts were prepared, characterized and evaluated for the hydrogenation of levulinic acid and its methyl ester. Among these, nanocomposites of Cu-ZrO2 and Cu-Al2O3 quantitatively catalyzed the hydrogenation of levulinic acid and its methyl ester to give 90-100\% selectivity to gamma-valerolactone in methanol and water respectively. Both the Cu-ZrO2 and Cu-Al2O3 nanocomposites were prepared by the co-precipitation method using mixed precursors under controlled conditions. XRD results showed that the main active phase of the reduced Cu-ZrO2 catalyst was metallic copper and particle size was found to be of 10-14 nm by HRTEM. The active metal leaching was at a maximum for the Cu-Al2O3 catalyst in a water medium due to the formation of a copper-carboxylate complex that was blue in colour. Surprisingly, copper leaching was completely suppressed in the case of the Cu-ZrO2 catalyst in methanol in spite of the substrate loading was increased from 5 to 20\% w/w. The excellent recyclability of the Cu-ZrO2 catalyst with complete LA conversion and \> 90\% GVL selectivity makes it a sustainable process having a commercial potential.
}, issn = {1463-9262}, doi = {10.1039/c2gc16558a}, author = {Hengne, Amol M. and Rode, Chandrashekhar V.} } @article { ISI:000308970100011, title = {CVD synthesis of highly graphitized single-walled carbon nanotubes using nitrogen-pretreated Fe-Mo/MgO catalyst}, journal = {Chemistry Letters}, volume = {41}, number = {9}, year = {2012}, month = {SEP}, pages = {871-873}, publisher = {CHEMICAL SOC JAPAN}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {
Single-walled carbon nanotubes (SWNTs) with highly graphitized structure were synthesized by thermal chemical vapor deposition using an improved nitrogen-pretreated Fe-Mo/MgO catalyst. The effects of nitrogen pretreatment of Fe-Mo/MgO on the structure and properties of SWNTs were studied by TEM, Raman spectroscopy, and TGA. The investigations revealed that the nitrogen pretreatment of the catalyst promoted the growth of SWNTs. It also enhanced the structural features and thermal properties of SWNTs.
}, issn = {0366-7022}, doi = {10.1246/cl.2012.871}, author = {Patil, Gaurav and Sarode, Chetan and Patil, Rahul and Gokhale, Suresh} } @article { ISI:000308285100046, title = {Deposition-precipitation versus anionic-exchange Au/Al2O3 catalysts: a comparative investigation towards the selective reduction of NOx}, journal = {Catalysis Communications}, volume = {26}, year = {2012}, month = {SEP}, pages = {225-230}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Catalytic properties of supported gold catalysts on gamma-Al2O3 prepared by a conventional deposition-precipitation method were compared with those obtained by anionic-exchange for the reduction of NOx by hydrocarbon under lean conditions that simulate Diesel engine exhaust gas. Interestingly, a catalytic activity enhancement is observed after thermal ageing under reactive conditions at 500 degrees C on anionic-exchanged samples which make them suitable for practical developments. On the other hand, the reverse trend is observed on the solids prepared by deposition-precipitation which deactivate at low temperature. Such changes in catalytic properties have been tentatively explained on the basis of textural and structural modifications taking place during thermal ageing under wet atmosphere. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Anionic-exchange, Au catalyst, Deposition-precipitation, NOx abatement, Selective catalytic reduction}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.06.004}, author = {Nguyen, D. L. and Shubhangi B. Umbarkar and Dongare, Mohan K. and Lancelot, Christine and Girardon, J. S. and Dujardin, Christophe and Granger, P.} } @inbook { ISI:000321629100005, title = {Descriptors as probes for inter-molecular interactions and external perturbation}, booktitle = {Applications of Density Functional Theory to Chemical Reactivity}, series = {Structure and Bonding}, volume = {149}, year = {2012}, pages = {131-158}, publisher = {Springer}, organization = {Springer}, address = {233 Spring Street, New York, NY 10013, United States}, abstract = {
In this article, different reactivity descriptors have been reviewed. Conceptual density functional theory is an important area where a lot of interesting developments in terms of descriptors and molecule interactions have taken place in recent years. This review will highlight our own work on such development of descriptors and their applications to characterise stability and reactivity in molecule systems.
}, keywords = {Conceptual density functional theory, Electric field effect, Global reactivity descriptors, HSAB, Local HSAB, Local reactivity descriptors}, isbn = {978-3-642-32753-7; 978-3-642-32752-0}, issn = {0081-5993}, doi = {10.1007/978-3-642-32753-7_4}, author = {Pal, Sourav}, editor = {Putz, M. V. and Mingos, D. M. P.} } @article { ISI:000302276700009, title = {Design and synthesis of dephosphono dna analogues containing 1,2,3-triazole linker and their UV-melting studies with DNA/RNA}, journal = {Nucleosides Nucleotides \& Nucleic Acids}, volume = {31}, number = {1-3}, year = {2012}, month = {JAN}, pages = {97-111}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
This article describes the synthesis of 3{\textquoteright}/5{\textquoteright} linked 1,2,3-triazolyl dithymidine derivatives, their incorporation into oligonucleotides, and evaluation of their thermal stabilities toward complementary DNA/RNA.
}, keywords = {isostere, Oligonucleotide analogues, Triazole, UV melting}, issn = {1525-7770}, doi = {10.1080/15257770.2011.644100}, author = {Madhuri, Vangala and Kumar, Vaijayanti A.} } @article { ISI:000305295000014, title = {Design, synthesis and evaluation of unique 2,4,5-triaryl imidazole derivatives as novel potent aspartic protease inhibitors}, journal = {Medicinal Chemistry}, volume = {8}, number = {3}, year = {2012}, month = {MAY}, pages = {428-435}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
The 2,4,5-triaryl imidazole derivatives (API) were designed, screened and characterized kinetically \& thermo-dynamically against Pepsin and their activity was also tested on the in silico platform. The docking studies of API with Pepsin show that these are novel and unique inhibitors of Aspartic protease. Drug like properties of these compounds were validated in silico based on Lipinski{\textquoteright}s rule of Five by calculating ClogP, LogS, H-bond acceptors, H-Bond donors, rotational bonds, PSA, PB and BBB values. The Et/Ki and Et/Km values of API show that they follow the Michaelis-Menten kinetics. The binding of inhibitors with proteases was explained by using Van{\textquoteright}t Hoff plot and thermodynamic parameters viz. free energy (Delta G), Entropy (Delta S) and Enthalpy (Delta H). The Van{\textquoteright}t Hoff analysis showed that the value of K-i decreases with increase in temperature and the binding of the inhibitor are entropically driven. API act as new potent aspartic protease inhibitors with K-i, for Pepsin, ranges from 3.7 mu M to 16.7 mu M. Strong hydrophobic groups at C-4 \& C-5 position in API favor binding of inhibitors with Pepsin. Experiments also showed that among C-2 aryl substituted imidazole, a 4-substitution on aryl ring is preferred and less polar substituent makes the molecule more active whereas polar substituents at 2-position on C-2 aryl ring makes the molecule less active. The docking studies of API with Pepsin further intensify and validate our results.
}, keywords = {2, 4, 5-triaryl imidazole derivatives, docking, Lipinski{\textquoteright}s rule of Five, Protease inhibitors, Thermodynamics}, issn = {1573-4064}, author = {Khan, Mohd Sajid and Akhtar, Salman and Siddiqui, S. A. and Siddiqui, M. S. and Srinivasan, K. V. and Arif, J. M.} } @article {43073, title = {Development and validation of a simple and sensitive RP-HPLC method for simultaneous estimation of drospirenone and ethinylestradiol in combined tablet dosage form}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {4}, year = {2012}, month = {DEC}, pages = {452-457}, author = {Warkad, Shrikant D. and Santhakumari, B. and Chandewar, A. V.} } @article { ISI:000304646100048, title = {Development of genomic simple sequence repeat markers for linseed using next-generation sequencing technology}, journal = {Molecular Breeding}, volume = {30}, number = {1}, year = {2012}, month = {JUN}, pages = {597-606}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Linseed (Linum usitatissimum L.) is regarded as a cash crop of tomorrow because of the presence of nutraceutically important alpha-linolenic acid (ALA) and lignan. However, only limited breeding progress has been made in this crop, mainly due to the lack of sufficient genetic and genomic resources. Among these, simple sequence repeats (SSR) are useful DNA markers for diversity analysis, genetic mapping and tagging traits because of their co-dominant and highly polymorphic nature. In order to develop SSR markers for linseed, we used three microsatellite isolation methods, viz., PCR Isolation of Microsatellite Arrays (PIMA), 5{\textquoteright}-anchored PCR method, and Fast Isolation by AFLP of Sequences COntaining repeats (FIASCO). The amplified products from these methods were pooled and sequenced using the 454 GS-FLX platform. A total of 36,332 reads were obtained, which assembled into 2,183 contigs and 2,509 singlets. The contigs and the singlets contained 1,842 microsatellite motifs, with dinucleotide motifs as the most abundant repeat type (54\%) followed by trinucleotide motifs (44\%). Based on this, 290 SSR markers were designed, 52 of which were evaluated using a panel of 27 diverse linseed genotypes. Among the three enrichment methods, the 5{\textquoteright}-anchored PCR method was most efficient for isolation of microsatellites, while FIASCO was most efficient for developing SSR markers. We show the utility of next-generation sequencing technology for efficiently discovering a large number of microsatellite markers in non-model plants.
}, keywords = {Flax, Microsatellite isolation, Next-generation sequencing, SSR}, issn = {1380-3743}, doi = {10.1007/s11032-011-9648-9}, author = {Kale, Sandip M. and Pardeshi, Varsha C. and Kadoo, Narendra Y. and Ghorpade, Prakash B. and Jana, Murari M. and Gupta, Vidya S.} } @article {UGC-New Delhi}, title = {Developmental and digestive flexibilities in the midgut of a polyphagous pest, the cotton bollworm, helicoverpa armigera}, journal = {Journal of Insect Science}, volume = {12}, number = {3-4}, year = {2012}, month = {MAR}, pages = {42}, publisher = {UNIV ARIZONA}, address = {LIBRARY C327, TUCSON, AZ 85721 USA}, abstract = {
Developmental patterns and survival of the cotton bollworm, Helicoverpa armigera Hubner (Lepidoptera: Noctuidae), a polyphagous insect pest, have been studied with reference to the effect of diet on major gut digestive enzymes (amylases, proteases, and lipases). Significant correlations between nutritional quality of the diet and larval and pupal mass were observed when H. armigera larvae were fed on various host plants viz. legumes (chickpea and pigeonpea), vegetables (tomato and okra), flowers (rose and marigold), and cereals (sorghum and maize). Larvae fed on diets rich in proteins and/or carbohydrates (pigeonpea, chickpea, maize, and sorghum) showed higher larval mass and developed more rapidly than larvae fed on diets with low protein and carbohydrate content (rose, marigold, okra, and tomato). Low calorific value diets like rose and marigold resulted in higher mortality (25-35\%) of H. armigera. Even with highly varying development efficiency and larval/pupal survival rates, H. armigera populations feeding on different diets completed their life cycles. Digestive enzymes of H. armigera displayed variable expression levels and were found to be regulated on the basis of macromolecular composition of the diet. Post-ingestive adaptations operating at the gut level, in the form of controlled release of digestive enzymes, might be a key factor contributing to the physiological plasticity in H. armigera.
}, keywords = {amylases, larval performance, Lipases, Proteases}, issn = {1536-2442}, doi = {10.1016/j.tetasy.2012.02.004}, author = {Sarate, P. J. and Tamhane, V. A. and Kotkar, H. M. and Ratnakaran, N. and Susan, N. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000304621400045, title = {Dimensionality reduction in computational demarcation of protein tertiary structures}, journal = {Journal of Molecular Modeling}, volume = {18}, number = {6}, year = {2012}, month = {JUN}, pages = {2741-2754}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Predictive classification of major structural families and fold types of proteins is investigated deploying logistic regression. Only five to seven dimensional quantitative feature vector representations of tertiary structures are found adequate. Results for benchmark sample of non-homologous proteins from SCOP database are presented. Importance of this work as compared to homology modeling and best-known quantitative approaches is highlighted.
}, keywords = {Logistic regression, Principal component analysis, Protein structural classes, Quantitative features of tertiary folds, SCOP database}, issn = {1610-2940}, doi = {10.1007/s00894-011-1223-0}, author = {Joshi, Rajani R. and Panigrahi, Priyabrata R. and Patil, Reshma N.} } @article { ISI:000325943800011, title = {Dimethyl [(2R,3R,5S)-5-phenylmorpholine-2,3-diyl]diacetate as a designer substrate in the syntheses of important heterocyclic scaffolds}, journal = {Asian Journal of Organic Chemistry}, volume = {1}, number = {1}, year = {2012}, month = {SEP}, pages = {65-70}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Designed scaffold dimethyl [(2R,3R,5S)-5-phenylmorpholine-2,3-diyl]diacetate was synthesized in optically pure form by photoinduced one-electron reductive beta-activation of an alpha,beta-unsaturated carbonyl moiety for stereoselective C-C bond formation. Use of the morpholine derivative as a {\textquoteleft}{\textquoteleft}chemical multitalent{\textquoteright}{\textquoteright} is demonstrated by its easy transformation to valuable heterocyclic building blocks such as methyl [(2R,3S)-3-hydroxy-5-oxopyrrolidin-2-yl]acetate, methyl [(2R,3S)-3-amino-5-oxotetrahydrofuran-2-yl]acetate, (3R,4S)-4-aminohexane-1,3,6-triol, and 2-[(2R,3S)-3-aminotetrahydrofuran-2-yl]ethanol.
}, keywords = {Amino alcohols, butyrolactams, butyrolactones, morpholines, photoinduced electron transfer reactions}, issn = {2193-5807}, doi = {10.1002/ajoc.201200033}, author = {Pandey, Ganesh and Gaikwad, Amrut L. and Gadre, Smita R.} } @article { ISI:000309786400075, title = {Discovering bisdemethoxycurcumin from curcuma longa rhizome as a potent small molecule inhibitor of human pancreatic alpha-amylase, a target for type-2 diabetes}, journal = {Food Chemistry}, volume = {135}, number = {4}, year = {2012}, month = {DEC}, pages = {2638-2642}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Curcuma longa rhizome is used extensively in culinary preparations in Far East and South-East Asia. Health benefits of curcuminoids from C. longa as antioxidants, anti-cancer and anti-inflammatory molecules have been well documented. We report here for the first time that Bisdemethoxycurcumin (BDMC) from C. longa, acts as an inhibitor to inactivate human pancreatic alpha-amylase, a therapeutic target for oral hypoglycemic agents in type-2 diabetes. Bioactivity guided isolation of rhizome isopropanol extract led to the identification by HPLC and NMR of BDMC as a lead small molecule inhibitor of porcine and human pancreatic alpha-amylase with an IC50 value of 0.026 and 0.025 mM, respectively. Kinetic analysis revealed that using starch as the substrate, HPA exhibited an uncompetitive mode of inhibition with an apparent K-i of 3.0 mu M. The study gains importance as BDMC could be a good drug candidate in development of new inhibitors of HPA and of functional foods for controlling starch digestion in order to reduce post-prandial hyperglycemia. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {BDMC, Curcuma longa, Human pancreatic amylase, kinetics, Type-2 diabetes}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2012.06.110}, author = {Ponnusamy, Sudha and Smita S. Zinjarde and Bhargava, Shobha and Rajamohanan, P. R. and RaviKumar, Ameeta} } @article { ISI:000306674200026, title = {Disordered brownmillerite Ba2InCeO5+delta with enhanced oxygen reduction activity}, journal = {Chemistry of Materials}, volume = {24}, number = {14}, year = {2012}, month = {JUL}, pages = {2823-2828}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A disordered brownmillerite, Ba2InCeO5+delta, with slight tetragonal distortion from ideal cubic perovskite is synthesized and its oxygen reduction reactivity tested. The material displayed oxygen reduction behavior in alkaline solution comparable to that of standard 40 wt \% Pt/C catalyst and attractive activity characteristics which renders it a potential system for low temperature fuel cell applications.
}, keywords = {brownmillerite, fuel cell, oxygen reduction reaction, Rietveld refinement}, issn = {0897-4756}, doi = {10.1021/cm301863x}, author = {Jijil, Chamundi P. and Unni, SreeKuttan M. and Sreekumar, Kurungot and Devi, R. Nandini} } @article { ISI:000303173800002, title = {Distinctions in early stage unwinding mechanisms of zwitterionic, capped, and neutral forms of different alpha-helical homopolymeric peptides}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {16}, year = {2012}, month = {APR}, pages = {4731-4740}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Molecular dynamics simulations of alpha-helical polyalanine, polyleucine, polylysine, and poly(glutamic acid) with different forms of terminal groups in water at 300 K showed sharp distinctions in their unwinding mechanisms. Zwitterionic, capped, and neutral forms of polyalanine, polyleucine, and polylysine have been explored to elucidate their unwinding mechanism at very early stage, e.g., initial time window. Role of water in the unwinding mechanisms of the various helices has been envisaged. Also, it is evident from our calculations that the short- and long-range nonbonded interactions among the side chains is an important factor determining the unwinding mechanisms of the various homopolymeric alpha-helices. These findings can be helpful in constructing predictive models for understanding of the unwinding of alpha-helical proteins and peptides.
}, issn = {1520-6106}, doi = {10.1021/jp301556x}, author = {Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000299742000025, title = {Do anions influence the polarity of protic ionic liquids?}, journal = {Physical Chemistry Chemical Physics}, volume = {14}, number = {8}, year = {2012}, month = {DEC}, pages = {2754-2761}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Polarity studies in two classes of imidazolium-based protic ionic liquids (PILs) possessing [HSO4](-), [HCOO](-),[CH3COO](-) and [CH3CH2COO](-) anions were carried out using a solvatochromic method from 298.15 to 353.15 K. For 1-methylimidazolium class of PILs, ET(30) was found to be independent over the entire range of temperature, while ET(30) was noted to decrease with a rise in temperature in the case of 1-butylimidazolium class of PILs containing [CH3COO](-) and [CH3CH2COO](-) anions. The ET(30) value decreases in both the classes upon varying the anions ([HSO4](-), [HCOO](-), [CH3COO](-) and [CH3CH2COO](-)). The E-T(30) value is controlled by hydrogen bond acceptor basicity, b, and dipolarity/polarizability, pi*. The E-T(30) value for PILs varies inversely to the strength of the coulombic interaction between ions in PILs. Strong interactions between ions lead to lower E-T(30) values. Unlike the poor thermal effect on E-T(30), the Kamlet-Taft parameters i.e. alpha, beta and pi* have pronounced thermal effect in the imidazolium-based PILs. Variation in the Kamlet-Taft parameters is controlled by the stabilization of ions and the degree of proton transfer from Bronsted acid to Bronsted base.
}, issn = {1463-9076}, doi = {10.1039/c2cp23256a}, author = {Shukla, Shashi Kant and Khupse, Nageshwar D. and Kumar, Anil} } @article { ISI:000299404900016, title = {Dodecatungstophosphoric acid supported on acidic clay catalyst for disproportionation of ethylbenzene in the presence of C-8 aromatics}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {3}, year = {2012}, month = {JAN}, pages = {1209-1217}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Vapor-phase disproportionation of ethylbenzene (EB) to diethylbenzene (DEB) in a single step is industrially relevant. Diethylbenzene is an important raw material for the conversion of divinylbenzene monomer. Conventionally, it is prepared from diacetophenone by reduction. It is also prepared by vapor-phase alkylation of ethylbenzene with ethylene/ethanol using zeolitic catalysts. In the current work, the efficacy of dodecatungstophosphoric acid (DTPA) supported on acid-treated clay has been evaluated in the disproportionation of ethylbenzene. A 20\% (w/w) DTPA/K-10 clay catalyst was found to be efficient and robust. An industrial feed having different compositions of ethylbenzene and xylene isomers was used for the experimentation. Hence, they were expected to hinder the movement of reactant molecules on the catalyst surface. It was observed that irrespective of feed composition the concentration of the xylene isomers was intact in the product. There was no other byproduct formation like p-ethylrnethylbenzene. Optimization of process parameters is presented. The effect of varying the concentration of aromatic compounds in the feed on ethylbenzene conversion and product distribution over the plain clay (K-10) and heteropolyacid-loaded clay catalyst have been discussed. The effect of catalyst bed length to inner diameter of reactor (L/D) ratio on the ethylbenzene conversion and selective formation of p-diethylbenzene (p-DEB) are also discussed.
}, issn = {0888-5885}, doi = {10.1021/ie202298e}, author = {Bokade, Vijay V. and Yadav, Ganapati D.} } @article { ISI:000309333600007, title = {Downstream processing of extracellular phytase from aspergillus niger: chromatography process vs. aqueous two phase extraction for its simultaneous partitioning and purification}, journal = {Process Biochemistry}, volume = {47}, number = {7}, year = {2012}, month = {JUL}, pages = {1066-1072}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The application of single step aqueous two-phase extraction (ATPE) for the downstream processing of phytase from Aspergillus niger NCIM 563, produced under solid state fermentation, has been studied and compared with the traditional multi-step procedure involving salt precipitation and column chromatography. High phytase recovery (98.5\%) within a short time (3 h) and improved thermostability was attained by ATPE in comparison to 20\% recovery in 96 h by chromatography process.The ATPE method, therefore, seems to be an interesting alternative for simultaneous partitioning and purification of phytase. The influence of system parameters; such as, phase forming salts, polymer molecular weight and system pH on the partitioning behavior of phytase was evaluated. The ATPE system consisting of combination of polyethylene glycol (PEG) 6000 and 8000(10.5\%) and sodium citrate (20.5\%) resulted in one-sided partitioning of phytase in bottom phase with a purification factor of 2.5. This is the first report on phytase purification using liquid-liquid extraction and the results are likely to be beneficial in the poultry feed industry. (c) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Aspergillus niger, liquid-liquid extraction, Phytase, Polyethylene glycol, Purification}, issn = {1359-5113}, doi = {10.1016/j.procbio.2012.03.012}, author = {Bhavsar, Kavita P. and Kumar, V. Ravi and Khire, Jayant Malhar} } @article { ISI:000312147400004, title = {Dye sensitized solar cell (DSSC) by a novel fully room temperature process: a solar paint for smart windows and flexible substrates}, journal = {RSC Advances}, volume = {2}, number = {31}, year = {2012}, month = {MAR}, pages = {11645-11649}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report the development of a titania-nanoparticle-based solar paint which gives a conversion efficiency of 3.6\% on FTO/glass substrates under fully room temperature processing. The paint cures quickly saving time in the cell fabrication process. Even on a flexible ITO/PET substrate efficiency of 2.4\% was achieved. We present and analyze the results of described materials and device property characterizations.
}, issn = {2046-2069}, doi = {10.1039/c2ra22182a}, author = {Agarkar, Shruti A. and Dhas, Vivek V. and Muduli, Subas and Ogale, Satishchandra B.} } @article { ISI:000302017500007, title = {Dynamic proteome in enigmatic preeclampsia: an account of molecular mechanisms and biomarker discovery}, journal = {Proteomics Clinical Applications}, volume = {6}, number = {1-2}, year = {2012}, month = {JAN}, pages = {79-90}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
The coevolution of genomics and proteomics has led to advancements in the field of diagnosis and molecular mechanisms of disease. Proteomics is now stepping into the field of obstetrics, where early diagnosis of pregnancy complication such as preeclampsia (PE) is imperative. PE is a multifactorial disease characterized by hypertension with proteinuria, which is a leading cause of maternal and neonatal morbidity and mortality occurring in 5-7\% of pregnancies worldwide. This review discusses the probable molecular mechanisms that lead to PE and summarizes the proteomics research carried out in understanding the pathogenicity of PE, and for identifying the candidate biomarker for diagnosis of the disease.
}, keywords = {Hypertension, Oxidative stress, Pregnancy complication, Proteinuria}, issn = {1862-8346}, doi = {10.1002/prca.201100089}, author = {Mary, Sheon and Patil, Gouri V. and Kulkarni, Asmita V. and Kulkarni, Mahesh J. and Joshi, Sadhana R. and Mehendale, Savita S. and Giri, Ashok P.} } @article { ISI:000309139400021, title = {Eco-friendly, highly stable and efficient nanostructured p-type N-doped ZnO photocatalyst for environmentally benign solar hydrogen production}, journal = {Green Chemistry}, volume = {14}, number = {10}, year = {2012}, month = {JUL}, pages = {2790-2798}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We have investigated an economical green route for the synthesis of a p-type N-doped ZnO photocatalyst by a wet chemical method. Significantly, hazardous H2S waste was converted into eco-friendly hydrogen energy using the p-type N-doped ZnO photocatalyst under solar light, which has previously been unattempted. The as-synthesized p-type N-doped ZnO shows a hexagonal wurtzite structure. The optical study shows a drastic shift in the band gap of the doped ZnO in the visible region (3.19-2.3 eV). The doping of nitrogen into the ZnO lattice is conclusively proved from X-ray photoelectron spectroscopy analysis and Raman scattering. The morphological features of the N-doped ZnO are studied from FESEM, TEM and reveal particle sizes to be in the range of similar to 4-5 nm. The N-doped ZnO exhibits enhanced photocatalytic hydrogen generation (similar to 3957 mu mol h(-1)) by photodecomposition of hydrogen sulfide under visible light irradiation, which is much higher as compared to semiconductor metal oxides reported so far. It is noteworthy that a green catalyst is investigated to curtail H2S pollution along with production of hydrogen (green fuel) using solar light, i.e., a renewable energy source. The green process investigated will have the potential to synthesize other N-doped metal oxides.
}, issn = {1463-9262}, doi = {10.1039/c2gc35519a}, author = {Bhirud, Ashwini P. and Sathaye, Shivaram D. and Waichal, Rupali P. and Nikam, Latesh K. and Kale, Bharat B.} } @article { ISI:000310642900002, title = {Effect of addition of {\textquoteleft}carrier{\textquoteright} DNA during transient protein expression in suspension CHO culture}, journal = {Cytotechnology}, volume = {64}, number = {6}, year = {2012}, month = {DEC}, pages = {613-622}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Transient protein expression using polyethyleneimine as a transfection agent is useful for the rapid production of small amounts of recombinant proteins. It is known that an increase in extracellular DNA concentration during transfection can lead to a nonlinear increase in intracellular DNA concentration. We present an approach that hypothesizes that this nonlinearity can be used to decrease the amount of plasmid required for productive transfections. Through addition of non coding {\textquoteleft}carrier{\textquoteright} DNA to increase total DNA concentration during transfection, we report a statistically significant increase in protein (IgG) expression per unit plasmid used for transfection. This approach could be useful to increase protein yields for large scale transfections under conditions where plasmid availability is limited.
}, keywords = {Carrier DNA, Cell age, DNA: polyethyleneimine particle size, Medium equilibration with CO2, pH excursion, Salmon sperm DNA, Transient protein expression}, issn = {0920-9069}, doi = {10.1007/s10616-012-9435-4}, author = {Pradhan, Ketaki and Gadgil, Mugdha} } @article { ISI:000312205000007, title = {Effect of alkali pretreatment on the structural properties and enzymatic hydrolysis of corn cob}, journal = {Applied Biochemistry and Biotechnology}, volume = {168}, number = {7}, year = {2012}, month = {DEC}, pages = {1806-1819}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
An effective alkali pretreatment which affects the structural properties of cellulose (corn cob) has been studied. The pretreatment of corn cob was carried out with different combinations of alkali at varying temperatures. The most effective pretreatment of corn cob was achieved with 1 \% alkali at 50 A degrees C in 4 h. The crystallinity index (CrI) and specific surface area (SSA) of untreated corn cob was 39 \% and 0.52 m(2)/g wherein after alkali pretreatment CrI decreased to 15 \% and SSA increased to 3.32 m(2)/g. The fungal organism was identified as Penicillium pinophilum on the basis of ITS sequence. At 5 \% substrate concentration using a complete cellulase from Penicillium pinophilum the hydrolysis of untreated corn cob with 5, 10 and 20 FPU/g enzyme loadings were 11 \%, 13 \% and 16 \%, whereas after alkali treatment the hydrolysis increased to 78 \%, 90 \% and 100 \%, respectively. Further hydrolytic potential of commercial cellulases viz. Accellerase (TM) 1,000, Palkofeel-30 and Palkocel-40 were investigated under similar conditions.
}, keywords = {Corn cob, Crystallinity index, Enzymatic hydrolysis, Penicillium pinophilum, Specific surface area}, issn = {0273-2289}, doi = {10.1007/s12010-012-9898-y}, author = {Sahare, Padmavati and Singh, Rajkumar and Laxman, Ryali Seeta and Rao, Mala} } @article { ISI:000300225900019, title = {Effect of digestive ripening agent on nanoparticle size in the digestive ripening process}, journal = {Chemical Physics Letters}, volume = {525-26}, year = {2012}, month = {FEB}, pages = {101-104}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Digestive ripening is an efficient method that leads to monodispersed nanoparticles from polydispersed ones. A systematic investigation of digestive ripening with different agents viz. dodecanethiol and dodecylamine on different metallic systems is presented. It is shown that both the metallic system involved and the digestive ripening agent have influences on the final size distribution. Further, it is demonstrated that the interaction strength between the different metals and the digestive ripening agents based on Hard Soft Acid Base principles could be invoked to explain the variation in nanoparticle size. (C) 2012 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2011.12.078}, author = {Sahu, Puspanjali and Bhagavatula L. V. Prasad} } @article { ISI:000311180800010, title = {Effect of particle size on selective hydrogenation of cinnamaldehyde by Pt encapsulated in mesoporous silica}, journal = {Catalysis Communications}, volume = {28}, year = {2012}, month = {NOV}, pages = {42-46}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Pt nanoparticles of various sizes, viz. 8. 4.9, 3.6 and 1.8 nm were encapsulated in 2D hexagonal mesoporous silica by in-situ synthesis as well as post synthetic modifications so that the final catalyst composition was \<= 1 wt.\% Pt/SiO2. A kinetic analysis of the effect of particle size on selective hydrogenation of cinnamaldehyde was carried out on these catalysts. It was found that the materials, even at such low loading of Pt, were very active for the hydrogenation and selective for the desired product, cinnamyl alcohol. Among the different particle sizes, selectivity was found to be the highest on 8 nm particles. Kinetic analysis shows that the reaction follows a consecutive reaction pathway. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {alpha, beta-Unsaturated aldehydes, Cinnamaldehyde hydrogenation, Kinetic analysis, Mesoporous silica, Pt nanoparticles, Selective hydrogenation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.08.017}, author = {Prashar, Atul K. and Mayadevi, S. and Devi, R. Nandini} } @article { ISI:000311350000043, title = {Effect of preparation parameters of Cu catalysts on their physico-chemical properties and activities for glycerol hydrogenolysis}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {321-329}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Cu based catalysts were prepared by co-precipitation, alkali fusion followed by precipitation and direct solid state fusion methods. The changes in the phase formation, morphology, crystallite size, extent of aggregation, strength and nature of acid sites were observed due to variations in precipitating agents and also their order of addition. The catalyst prepared by co-precipitation using Na2CO3 showed the predominant presence of metallic Cu phase with a crystallite size of 5 nm, well segregated spherical morphology and highest acidity in the activated sample. These intrinsic properties contributed to achieve the highest glycerol conversion of 62\% and 1,2-PDO selectivity of 88\% in glycerol hydrogenolysis. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Co-precipitation, Cu catalysts, Glycerol hydrogenolysis, Physico-chemical properties, Solid state fusion}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.05.051}, author = {Mane, R. B. and Kondawar, S. E. and Niphadkar, P. S. and Joshi, P. N. and Patil, K. R. and Rode, C. V.} } @article { ISI:000303018700008, title = {Effect of the A30P mutation on the structural dynamics of micelle-bound alpha synuclein released in water: a molecular dynamics study}, journal = {European Biophysics Journal With Biophysics Letters}, volume = {41}, number = {5}, year = {2012}, month = {MAY}, pages = {483-489}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Atomistic molecular dynamics simulation has been used to probe the effect of the A30P mutation on the structural dynamics of micelle-bound, helical alpha Synuclein when released in an aqueous environment. On the timescales simulated, the effect of the mutation on the secondary structure is restricted to local changes close to the mutation site in the N-terminal helical domain. The changes are transient, and all residues except Lys23 recover their initial structure. The local behavior due to the mutation gives rise to a global difference in the A30P mutant in the form of a permanent kink in the N-terminal helical domain.
}, keywords = {A30P mutation, Alpha synuclein, Kink formation, molecular dynamics simulation, Structural persistence}, issn = {0175-7571}, doi = {10.1007/s00249-012-0803-y}, author = {Chatterjee, Prathit and Sengupta, Neelanjana} } @article { ISI:000302902200024, title = {Effect of the surface roughness of conducting polypyrrole thin-film electrodes on the electrocatalytic reduction of nitrobenzene}, journal = {Journal of Applied Polymer Science}, volume = {125}, number = {3}, year = {2012}, month = {AUG}, pages = {1875-1881}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Conducting polypyrrole (PPy) thin-film electrodes were prepared by the electropolymerization of pyrrole on gold-coated glass plates. Films of various roughnesses were obtained by the variation of the scan rates during electropolymerization. These thin films were modified by doping with 6mM of the dopant NiCl2. The surface morphology of the films was studied by scanning electron microscopy and atomic force microscopy (AFM), which suggested films prepared with a high scan rate were rougher in nature than the films produced with a low scan rate. The electrocatalytic reduction of nitrobenzene was carried out with these electrodes with the cyclic voltammetry technique in acetonitrile containing 0.1M HClO4 as a supporting electrolyte. The various results obtained show that the conducting PPy thin-film electrodes were catalytically active toward the electroreduction process. The modified PPy film electrodes doped with NiCl2 were more active toward nitrobenzene electroreduction than the PPy film alone. The results indicate that the roughness of the films played a very important role in determining their catalytic activity. The PPy films that were more rough in nature were catalytically more active than the smooth films; this may have been due to the availability of more reactive sites in the case of rough films. The apparent diffusion coefficients of the PPy film electrodes were also calculated. (c) 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
}, keywords = {atomic force microscopy (AFM), conducting polymers, Diffusion, surface modification, Thin films}, issn = {0021-8995}, doi = {10.1002/app.34880}, author = {Adhikari, Arindam and Radhakrishnan, S. and Vijayan, M.} } @article { ISI:000300635600002, title = {Effects of arsenite stress on growth and proteome of Klebsiella pneumoniae}, journal = {Journal of Biotechnology}, volume = {158}, number = {1-2}, year = {2012}, month = {MAR}, pages = {8-16}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In the present study an arsenite, As(III), tolerating bacterium, MR4, was isolated from Mulla River Pune, India, capable of reducing arsenate to arsenite and identified as Klebsiella pneumoniae (HQ857583). Comparative proteomic analysis using two-dimensional gel electrophoresis (2-DGE) and matrix assisted laser desorption ionization-time of flight-time of flight (MALDI-TOF/ TOF) was used to monitor the proteins undergoing changes in expression levels under 2.5 mM As(III) stress. The 2-DGE proteome map has shown that 60 proteins were differentially expressed under As(III) stress, of which 39 proteins were successfully identified with a MASCOT score greater than 70 (p \< 0.05). Among the identified proteins, membrane transport/ binding proteins, porins, and amino acid metabolism enzymes were down-regulated while stress responsive proteins and antioxidant enzymes were up-regulated. Proteins involved in carbohydrate metabolism, particularly those in pentose phosphate pathway were also up-regulated while those involved in pyruvate metabolism were down-regulated. However, proteins involved in glycolysis and tricarboxylic acid cycle showed a mixed regulation response. These findings provide new insights into the probable mechanisms by which K. pneumoniae (HQ857583) could be adapting to As(III) stress. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {(2-DGE), Arsenite stress, Klebsiella pneumoniae, MALDI-TOF-TOF, Two dimensional gel electrophoresis}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2011.12.013}, author = {Daware, Vandana and Kesavan, Suresh K. and Patil, Rajendra and Natu, Arvind and Kumar, Ameeta and Kulkarni, Mahesh J. and Gade, Wasudeo N.} } @article { ISI:000303485400020, title = {Effects of grain morphology, microstructure and dispersed metal cocatalyst on the photoreduction of water over impurity-doped LaInO3}, journal = {Materials Research Bulletin}, volume = {47}, number = {5}, year = {2012}, month = {MAY}, pages = {1217-1228}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The single phase lanthanum indates doped with Ga (for La) and N (for O), i.e. La1-xGaxInO3 (0 \<= x \<= 0.2) and LaInO1-yNy (y similar to 0.6), exhibit significant activity for photoreduction of water; the yield of H-2 produced depending on dopant, excitation source, and addition of a sacrificial reagent. The two-step H-2 evolution observed for this reaction corresponds with the two distinct absorbance regimes displayed by these materials, one in UV-region due to bandgap excitation and the other in visible region arising from the transitions involving sub-bandgap donor or acceptor energy states. The photocatalytic activity of these d(10) metal oxides increases on coating with a metal/metal oxide co-catalyst, gold exhibiting superior activity to Pt and NiO, irrespective of excitation source and sample composition. The preparation-controlled particle morphology, doping-induced lattice imperfections, and metal/semiconductor hetero-junctions are envisaged to play a key role in the absorption characteristics and photocatalytic water reduction activity of metal/LaInO3 nanocomposites. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Catalytic properties, Chemical synthesis, Electron microscopy, Interfaces, Semiconductors}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2012.01.031}, author = {Dhanasekaran, P. and Gupta, N. M.} } @article {42446, title = {Efficient diels-alder reaction of 1,2-benzoquinones with arynes and its utility in one-pot reactions}, journal = {Organic Letters}, volume = {14}, year = {2012}, month = {DEC}, pages = {6238{\textendash}6241}, abstract = {
A new protocol for the efficient Diels{\textendash}Alder reaction of 1,2-benzoquinones with arynes is reported. The aryne generated by the fluoride-induced 1,2-elimination of 2-(trimethylsilyl)aryl triflates undergoes a facile Diels{\textendash}Alder reaction with 1,2-benzoquinones, affording the dioxobenzobicyclooctadienes in moderate to excellent yields. In addition, this methodology has been applied to the one-pot synthesis of benzoquinoxalinobarrelene and naphthalene derivatives.
}, doi = {10.1021/ol302997q}, author = {Kaicharla, Trinadh and Bhojgude, Sachin Suresh and Biju, Akkattu T.} } @article {42713, title = {Efficient hydrogenation of biomass derived cyclic di-esters to 1,2-diols}, journal = {Chemical Communications}, volume = {48}, year = {2012}, month = {OCT}, pages = {1111-1113}, abstract = {
The unprecedented homogeneous hydrogenation of cyclic di-esters, in particular biomass-derived glycolide and lactide, to the corresponding 1,2-diols is catalyzed by Ru(II) PNN (1) and Ru(II) CNN (2) pincer complexes under mild hydrogen pressure and (in the case of 1) neutral conditions. No racemization was observed when a chiral di-ester was used.
}, doi = {10.1039/C1CC15778G }, author = {Balaraman, Ekambaram and Fogler, Eran and Milstein, David} } @article { ISI:000301810400032, title = {Efficient lipase purification using reverse micellar extraction}, journal = {Bioresource Technology}, volume = {108}, year = {2012}, month = {MAR}, pages = {224-230}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Reverse micellar extraction (RME) of enzyme provides an attractive option for conventional method with the potential to achieve purification and concentration in a single step with high yield. This study presents a methodology for optimization of RME with Pseudomonas lipase as model system. Fold-purification, percent recovery and extraction time were the objective functions while the type and concentration of surfactant, contact time, pH, ionic strength, and the ratio of organic to aqueous phase were the decision variables. Under optimized conditions, the AOT (Aerosol OT (bis 2-ethylhexyl) sodium sulfosuccinate)-isooctane system gave a 15-fold purification, 80\% recovery and 2.5-fold concentration of the Pseudomonas lipase with process time of 45 min. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {(Hexadicetyltrimethylammoniumbromide), AOT, CTAB, Lipase, RME}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.11.126}, author = {Gaikaiwari, Raghavendra P. and Wagh, Shilpa A. and Kulkarni, Bhaskar D.} } @article { ISI:000311522500012, title = {Efficient oxygen reduction electrocatalyst from graphene by simultaneously generating pores and nitrogen doped active sites}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {45}, year = {2012}, month = {DEC}, pages = {23799-23805}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple way to simultaneously create pores and nitrogen doped active sites on graphene for the electrochemical oxygen reduction reaction (ORR) is developed. The key aspect of the process is the in-situ generation of Fe2O3 nanoparticles and their concomitant dispersion on graphene by pyrolyzing graphene oxide (GO) with the iron phenanthroline complex. Thus the deposited Fe2O3 nanoparticles act as the seeds for pore generation by etching the carbon layer along the graphene-Fe2O3 interface. Detection of the presence of Fe3C along with Fe2O3 confirms carbon spill-over from graphene as a plausible step involved in the pore engraving process. Since the process offers a good control on the size and dispersion of the Fe2O3 nanoparticles, the pore size and distribution also could be managed very effectively in this process. As the phenanthroline complex decomposes and gives Fe2O3 nanoparticles and subsequently the pores on graphene, the unsaturated carbons along the pore openings simultaneously capture nitrogen of the phenanthroline complex and provide very efficient active sites for ORR under alkaline conditions. The degree of nitrogen doping and hence the ORR activity could be further improved by subjecting the porous material for a second round of nitrogen doping using iron-free phenanthroline. This porous graphene enriched with the N-doped active sites effectively reduces oxygen molecule through a 3e(-) pathway, suggesting a preferential shift towards the more favourable 4e(-) route compared to the 2e(-) reaction as reported for many N-doped carbon nano-morphologies. The 90 mV onset potential difference for oxygen reduction as compared to the state-of-the art 20 wt\% Pt/C catalyst is significantly low compared to the overpotentials in the range of 120-200 mV reported in the literature for few N-doped graphenes.
}, issn = {0959-9428}, doi = {10.1039/c2jm35128e}, author = {Palaniselvam, Thangavelu and Aiyappa, Harshitha Barike and Kurungot, Sreekumar} } @article { ISI:000302023500063, title = {Efficient, rapid synthesis of bis(indolyl)methane using ethyl ammonium nitrate as an ionic liquid}, journal = {RSC Advances}, volume = {2}, number = {8}, year = {2012}, month = {MAR}, pages = {3525-3529}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple and rapid protocol has been developed for an efficient synthesis of bis( indolyl)methane in excellent yields using ethyl ammonium nitrate (EAN) as reusable ionic liquid at room temperature. The protocol involves an electrophilic substitution reaction of indoles with several aldehydes.
}, issn = {2046-2069}, doi = {10.1039/c2ra00849a}, author = {Mulla, Shafeek Abdul Rashid and Sudalai, A. and Pathan, Mohsinkhan Y. and Siddique, Shafi A. and Inamdar, Suleman M. and Chavan, Santosh S. and Reddy, R. Santosh} } @article { ISI:000308042000010, title = {Efficient synthesis of a hydroxyethylamine (HEA) isostere and its alpha-aminophosphonate and phosphoramidate derivatives as potential anti-HIV agents}, journal = {Chemmedchem}, volume = {7}, number = {9}, year = {2012}, month = {SEP}, pages = {1601-1611}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
HIV protease is a promising drug target for AIDS therapy, and several potent HIV-1 protease inhibitors have been reported to date. Although existing inhibitors exhibit high selectivity, they have also been associated with severe side effects and the possible emergence of therapeutic resistance. As HIV protease cleaves the peptide bond via a tetrahedral intermediate, various transition-state models such as hydroxyethylamine (HEA) have been designed. We therefore pursued an efficient synthesis of an HEA isostere; this was performed with a novel one-pot reductiontransiminationreduction reaction sequence as a key step. a-Aminophosphonate and phosphoramidate derivatives of the HEA isostere were designed and synthesized, and all of the synthesized derivatives were assayed for their anti-HIV activities against wild-type and mutant HIV strains. Phosphoramidate derivative 15?a was found to be the most active of all synthesized compounds against the IIIB and RES056 strains. As phosphonates are known to exhibit physiological stability, good cell permeability, and other promising pharmacokinetic characteristics, our newly synthesized compounds have the potential as alternatives to existing therapeutics and diagnostics.
}, keywords = {a-aminophosphonates, antiviral agents, hydroxyethylamine isosteres, phosphoramidates, synthesis}, issn = {1860-7179}, doi = {10.1002/cmdc.201200271}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C. and Pannecouque, Christophe and De Clercq, Eric} } @article {42448, title = {Efficient synthesis of gamma-keto sulfones by NHC-catalyzed intermolecular stetter reaction}, journal = {Organic Letters}, volume = {14}, year = {2012}, month = {MAY}, pages = {2830{\textendash}2833}, abstract = {
The N-heterocyclic carbene-catalyzed intermolecular Stetter reaction of aldehydes with α,β-unsaturated sulfones allows the atom-economic and selective formation of γ-keto sulfones in good yields. Key to the success of this unique transition-metal-free carbon{\textendash}carbon bond-forming reaction is the right choice of the NHC precursor and base. The reaction tolerates a broad range of different aldehydes.
}, doi = {10.1021/ol301045x}, author = {Bhunia, Anup and Yetra, Santhivardhana Reddy and Bhojgude, Sachin Suresh and Biju, Akkattu T.} } @article { ISI:000304387800025, title = {Efficient total synthesis of calothrixin B}, journal = {Tetrahedron Letters}, volume = {53}, number = {23}, year = {2012}, month = {JUN}, pages = {2894-2896}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient synthesis of calothrixin B (2) is demonstrated starting from 9H-carbazol-4-ol, having two one-pot reaction sequences as key steps. As a novel observation, DMF-methanol was shown to be a hydride donor for reduction of aldehyde to alcohol. Unexpectedly, nucleophilic substitution of benzyloxy by methoxy group was observed. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Calothrixin B, CAN, DMF-methanol, Hydride donor}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.03.131}, author = {Bhosale, Shrikar M. and Gawade, Rupesh L. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @article { ISI:000310402400032, title = {Elaboration of the ether cleaving ability and selectivity of the classical pearlman{\textquoteright}s catalyst [Pd(OH)(2)/C]: concise synthesis of a precursor for a myo-inositol pyrophosphate}, journal = {Tetrahedron}, volume = {68}, number = {47}, year = {2012}, month = {NOV}, pages = {9769-9776}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The cleavage of propargyl, allyl, benzyl, and PMB ethers by Pd(OH)(2)/C can be tuned in that order, by varying the reaction conditions. Other moieties such as C-C double bonds, esters, trityl ether, p-bromo and p-nitrobenzyl ethers are stable to these reaction conditions. Cleavage of allyl ethers can be made catalytic by using 1:1 mixture of Pd(OH)(2)/C and Pd/C. The synthetic potential of the selective ether cleaving ability of Pd(OH)(2)/C, essentially under neutral conditions, has been demonstrated by an efficient synthesis of a precursor for the preparation of an inositol pyrophosphate derivative. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Cyclitol, Ether cleavage, Inositol, Palladium, Protecting group}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.09.016}, author = {Mart, Alson and Shashidhar, Mysore S.} } @article { ISI:000308879000041, title = {Electrochemical preparation of luminescent graphene quantum dots from multiwalled carbon nanotubes}, journal = {Chemistry-A European Journal}, volume = {18}, number = {39}, year = {2012}, month = {SEP}, pages = {12522-12528}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Green luminescent, graphene quantum dots (GQDs) with a uniform size of 3, 5, and 8.2(+/- 0.3) nm in diameter were prepared electrochemically from MWCNTs in propylene carbonate by using LiClO4 at 90?degrees C, whereas similar particles of 23(+/- 2) nm were obtained at 30?degrees C under identical conditions. Both these sets of GQDs displayed a remarkable quantum efficiency of 6.3 and 5.1?\%, respectively. This method offers a novel strategy to synthesise size-tunable GQDs as evidenced by multiple characterisation techniques like transmission and scanning electron microscopy, atomic force microscopy, Raman spectroscopy and X-ray diffraction (XRD). Photoluminescence of these GQDs can be tailored by size variation through a systematic change in key process parameters, like diameter of carbon nanotube, electric field, concentration of supporting electrolyte and temperature. GQDs are promising candidates for a variety of applications, such as biomarkers, nanoelectronic devices and chemosensors due to their unique features, like high photostability, biocompatibility, nontoxicity and tunable solubility in water.
}, keywords = {electrochemical synthesis, graphene, Nanostructures, photoluminescence, quantum dots}, issn = {0947-6539}, doi = {10.1002/chem.201201043}, author = {Shinde, Dhanraj B. and Pillai, Vijayamohanan K.} } @article { ISI:000306768600002, title = {Electrospinning of PHBV/ZnO membranes: structure and properties}, journal = {Fibers and Polymers}, volume = {13}, number = {6}, year = {2012}, month = {JUL}, pages = {692-697}, publisher = {KOREAN FIBER SOC}, address = {KOREA SCIENCE TECHNOLOGY CTR \#501 635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREA}, abstract = {
Polyhydroxy butyrate-co-valerate (PHBV) - Zinc oxide (ZnO) nano composite fibers were prepared using electrospinning. The structural and optical properties were studied using Fourier transform infrared spectroscopy (FT-ER), X-ray diffraction (XRD) and photoluminescence study (PL). The morphology observed with scanning electron microscope (SEM) revealed no significant changes in the nano composite fibers as compared to bare polymer. The low concentration of ZnO nanoparticles resulted in an increase in overall crystallinity of the polymer matrix which was confirmed from FT-IR and XRD results. The photoluminescence (PL) study indicated the quenching of visible emission in the composite fibers. The ratio of UV to visible emission (I-uv/I-vis) intensity was found to be 12.8 times enhanced in the composite fibers compared to bare ZnO nanoparticles. The nanofibrous mats are self supported and hence offer potential applications in optoelectronic devices and the biomedical imaging.
}, keywords = {Biomarkers, Biopolymers, electrospinning, ZnO nanoparticles}, issn = {1229-9197}, doi = {10.1007/s12221-012-0692-9}, author = {Naphade, Rounak and Jog, Jyoti Prakash} } @article { ISI:000304106900015, title = {Electrostatic grafting of a triphenylphosphine sulfonate on SBA-15: application in palladium catalyzed hydrogenation}, journal = {Catalysis Science \& Technology}, volume = {2}, number = {6}, year = {2012}, month = {FEB}, pages = {1188-1195}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel strategy for the immobilization of a sulfonate functionalized triphenylphosphine ligand by ion-ion interactions on an imidazolium modified SBA-15 is presented. A support containing electrostatically grafted triphenylphosphine as the ligand was reacted with PdCl2( CNPh)(2) and the resulting hybrid material catalyzed olefin hydrogenation under mild conditions. The catalyst exhibits excellent activity, selectivity and stability and it can be reused for at least ten times without any loss of activity. An analogous but covalently grafted palladium system does not show any hydrogenation activity under the same conditions. TEM images of the used catalyst clearly prove the absence of palladium nanoparticles. Additionally, XPS investigations prove that palladium( 0) is formed and the phosphine is oxidized. By AAS no palladium contamination down to 0.5 X 10(-4) mmol could be detected in the products and further leaching tests verified the reaction to be truly heterogeneous. This concept of non-covalent immobilization guarantees a tight bonding of the catalytically active species to the surface in combination with a high mobility, which should be favorable for other catalyses, too.
}, issn = {2044-4753}, doi = {10.1039/c2cy00535b}, author = {Wang, Lei and Dehe, Daniel and Philippi, Thomas and Seifert, Andreas and Ernst, Stefan and Zhou, Zhou and Hartmann, Martin and Taylor, Robin N. Klupp and Singh, Anand Pal and Jia, Mingjun and Thiel, Werner R.} } @article { ISI:000307306500021, title = {Enantio- and diastereocontrolled conversion of chiral epoxides to trans-cyclopropane carboxylates: application to the synthesis of cascarillic acid, grenadamide and L-(-)-CCG-II}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {34}, year = {2012}, month = {JUL}, pages = {6987-6994}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An efficient high yielding improved method for the enantio- and diastereoselective cyclopropanation of chiral epoxides using triethylphosphonoacetate and base (Wadsworth-Emmons cyclopropanation) is reported. The utility of this protocol is illustrated by concise and practical synthesis of cascarillic acid, grenadamide and L-(-)-CCG-II, a cyclopropane containing natural products.
}, issn = {1477-0520}, doi = {10.1039/c2ob25622c}, author = {Kumar, Pradeep and Dubey, Abhishek and Harbindu, Anand} } @article { ISI:000307433600013, title = {Enantioselective synthesis of HIV protease inhibitor amprenavir via Co-catalyzed HKR of 2-(1-azido-2-phenylethyl)oxirane}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {11-12}, year = {2012}, month = {JUN}, pages = {898-903}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short and efficient enantioselective synthesis of the HIV protease inhibitor amprenavir 1 (99\% ee) as well as a formal synthesis of saquinavir 3 have been achieved in high enantiomeric purity starting from commercially available materials. Our strategy mainly comprises a Co-catalyzed two-stereocentred hydrolytic kinetic resolution (HKR) of racemic 2-(1-azido-2-phenylethyl)oxirane as the chirality inducing step. Also presented is a concise synthesis of (S)-3-hydroxytetrahydrofuran 4, the key structural feature, in high enantiomeric purity (98\% ee). (c) 2012 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.06.003}, author = {Gadakh, Sunita K. and Reddy, R. Santhosh and Sudalai, Arumugam} } @article { ISI:000310863400014, title = {Enantioselective synthesis of the essential oil and pheromonal component ar-himachalene by a chiral pool and chirality induction approach}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {18-19}, year = {2012}, month = {OCT}, pages = {1410-1415}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The enantioselective synthesis of both isomers of ar-himachalene has been achieved starting from enantiomerically pure citronellal and p-methyl alpha-methyl styrene as an application of a chiral pool and chirality induction approach, respectively. The key reactions involved in the synthesis include the Sharpless asymmetric dihydroxylation for the induction of chirality at benzylic carbon bearing the methyl group and the use of a hypervalent iodine reagent or trimethylsilyldiazomethane (TMSCHN2) for the six to seven membered ring expansion. (C) 2012 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.09.008}, author = {Chavan, Subhash P. and Khatod, Harshali S.} } @article { ISI:000306280700023, title = {Encapsulation of enzyme in large mesoporous material with small mesoporous windows}, journal = {Chemical Communications}, volume = {48}, number = {63}, year = {2012}, month = {JUN}, pages = {7853-7855}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Trypsin has been encapsulated in the mesopores of a hierarchical mesoporous silica material synthesized via Cu(I) catalyzed azide-alkyne click reaction between azide functionalized large spherical SBA-15 particles and alkyne functionalized mesoporous silica nanoparticles (MSNs). Encapsulated trypsin functions as an efficient biocatalyst and can be recycled several times.
}, issn = {1359-7345}, doi = {10.1039/c2cc33592a}, author = {Malvi, Bharmana and Sen Gupta, Sayam} } @article { ISI:000335134300022, title = {Engineered glucose to generate a spectroscopic probe for studying carbohydrate biology}, journal = {Advances in Experimental Medicine and Biology}, volume = {749}, year = {2012}, note = {International Symposium on the Biochemical Role of Eukaryotic Cell Surface Macromolecules, Trivandrum, INDIA, JAN, 2011}, month = {APR}, pages = {313-327}, publisher = {SPRINGER-VERLAG BERLIN}, address = {HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY}, isbn = {978-1-4614-3380-4; 978-1-4614-3381-1}, issn = {0065-2598}, doi = {10.1007/978-1-4614-3381-1_21}, author = {Tripathi, Ashish and Singh, Vibha and Aishwarya, K. G. and Aradhyam, Gopala Krishna and Hotha, Srinivas}, editor = {Sudhakaran, PR and Surolia, A} } @article { ISI:000307039700023, title = {Enhanced magnetic parameters in the morphotropic phase boundary region of nanocrystalline multiferroic Bi1-xLaxFeO3}, journal = {Solid State Communications}, volume = {152}, number = {16}, year = {2012}, month = {AUG}, pages = {1609-1612}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Antiferromagnetic multiferroic BiFeO3 shows ferromagnetic characteristics by simultaneous substitution of Bi by La and decrease in the particle size to nanometer dimensions. Large changes in saturation and remnant magnetization, magnetic susceptibility at low and high fields, along with some anomalous changes in the magnetic transition temperature are observed in nanocrystalline Bi1-xLaxFeO3 system for 0.1 \<= x \<= 0.2. This compositional region corresponds to the morphotropic phase boundary (MPB) region separating the rhombohedral and orthorhombic phases, and the effect is similar to that observed in many ferroelectric systems. The present observation of enhanced ferromagnetic parameters in the MPB region of the nanocrystalline multiferroic La substituted BiFeO3 system, combined with the known ferroelectric characteristics, is suitable for future device applications. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Bismuth ferrite, magnetic properties, Multiferroics, Nanocrystalline materials}, issn = {0038-1098}, doi = {10.1016/j.ssc.2012.05.011}, author = {Thakuria, P. and Joy, Pattayil Alias} } @article { ISI:000307207300023, title = {Enhanced permeation, leaf retention, and plant protease inhibitor activity with bicontinuous microemulsions}, journal = {Journal of Colloid and Interface Science}, volume = {383}, year = {2012}, month = {OCT}, pages = {177-183}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Bicontinuous microemulsions (BCMEs) have excellent solubulizing properties along with low interfacial tension and aqueous content that can be controlled. In this work, water soluble plant protease inhibitor (PI), well characterized for its activity against insect pests, was incorporated into a BCME system and explored for permeation on hydrophobic leaf surfaces and protease inhibition activity. The bicontinuous nature of the microemulsion containing water:2-propanol:1-butanol (55:35:10 w/w) was characterized using conductivity and self-diffusion coefficient measurements. The PI was soluble in the water-rich bicontinuous domains, stable in the microemulsions, and protease inhibition activity was retained for a prolonged duration. The microemulsions ensured greater wettability and a wider spread of the PI on hydrophobic leaf surfaces as revealed by contact angle measurements. Significantly, trypsin inhibition activity assays of the PI recovered from the leaves after delivery from the microemulsion indicated a significant increase in the PI retention on the leaf. This BCME enabled greater leaf permeation and retention of the PI can be attributed to a temporary disruption of the waxy leaf surface followed by self-repair without causing any long term damage to the plant. (C) 2012 Elsevier Inc. All rights reserved.
}, keywords = {Bicontinuous microemulsion, Biopesticide, Microemulsion pesticide, protease inhibitor, Protein encapsulation, Protein permeation}, issn = {0021-9797}, doi = {10.1016/j.jcis.2012.06.025}, author = {Tamhane, Vaijayanti A. and Dhaware, Deepika G. and Khandelwal, Neha and Giri, Ashok P. and Panchagnula, Venkateswarlu} } @article { ISI:000309644400011, title = {Enhanced photocatalytic activity of multi-doped TiO2 for the degradation of methyl orange}, journal = {Applied Catalysis A-General}, volume = {443}, year = {2012}, month = {NOV}, pages = {96-102}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We report the synergistic effect of dopants like Gd, N and Sin enhancing the photocatalytic activity of TiO2. Nanosized TiO2 doped at both cationic and anionic sites by Gd, N and S exhibited increased photocatalytic activity compared to TiO2 doped with either Gd or N and S. All the doped TiO2 existed as anatase phase and no separate phase due to Gd2O3 was seen up to a Gd concentration of 2\%. The particle size as seen from the transmission electron micrograph was similar to 25 nm. The optical absorption property of TiO2 was improved by doping and redshift of the absorption edge is seen for all doped samples compared to pristine TiO2. The red shift of the absorption edge was the highest for the multiple ion-doped sample. Presence of bonded N and S in TiO2 was detected by X-ray photoelectron spectroscopy. Fluorescence lifetime studies indicated an enhanced lifetime for the charge carriers in the doped system compared to pristine TiO2. Photocatalytic activity study showed that the multi-doped sample has the highest activity for the degradation of methyl orange compared to Gd-TiO2, NS-TiO2 and pristine TiO2. The enhanced photocatalytic activity of the multi-doped TiO2 is attributed to factors such as improved optical absorption property and improved lifetime of the charge carriers. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Fluorescence lifetime, Gd N S doped TiO2, Methyl orange, Photocatalyst, Photodegradation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2012.07.032}, author = {Charanpahari, A. and Umare, S. S. and Gokhale, S. P. and Sudarsan, V. and Sreedhar, B. and Sasikala, R.} } @article { ISI:000299292600009, title = {Enhanced piezoresponse of electrospun PVDF mats with a touch of nickel chloride hexahydrate salt}, journal = {Nanoscale}, volume = {4}, number = {3}, year = {2012}, month = {FEB}, pages = {752-756}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
PVDF nanofibers are prepared using electrospinning. The effect of addition of a hydrated salt, nickel chloride hexahydrate (NiCl2 center dot 6H(2)O), on the phase formation is examined. Addition of the hydrated salt (NC) is found to enhance the polar beta phase by about 30\%. The peak to peak piezo-voltage generated for PVDF NC is almost 0.762 V, a factor of 3 higher than that for PVDF. The fiber mats exhibit a significantly enhanced dynamic strain sensor response. The voltage generated per unit micro-strain developed during the free vibration test for PVDF was 0.119 mV whereas it was 0.548 mV for PVDF NC, exhibiting a non-linearly enhanced performance vis a vis the increase in the beta phase component.
}, issn = {2040-3364}, doi = {10.1039/c2nr11841f}, author = {Dhakras, Dipti and Borkar, Vivek and Ogale, Satishchandra and Jog, Jyoti Prakash} } @article { ISI:000308331200002, title = {Enhanced tolerance of transgenic grapevines expressing chitinase and beta-1,3-glucanase genes to downy mildew}, journal = {Plant Cell Tissue and Organ Culture}, volume = {111}, number = {1}, year = {2012}, month = {OCT}, pages = {15-28}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
An Agrobacterium-mediated transformation protocol for grapevine cv. Crimson Seedless using sonication and anti-necrotic agents has been optimized, and transgenic lines carrying wheat chitinase and beta-1,3-glucanase genes have exhibited enhanced tolerance to downy mildew incited by Plasmopara viticola. cDNA clones encoding chitinase and beta-1,3-glucanase have been isolated from a cDNA library, constructed from scab-infected Sumai-3 wheat, and introduced into a plant cloning vector to generate the plasmids pCAMBAR.chi.11 and pCAMBAR.638. Embryogenic cultures, established from in vitro-derived leaves, of Crimson Seedless were used as explants for Agrobacterium tumefaciens-mediated transformation studies. Sonication of somatic embryos in a bacterial suspension of A. tumefaciens and incorporation of anti-necrotic agents in the co-cultivation medium significantly enhanced transformation efficiency. Transformation efficiency of embryos with either chitinase or beta-1,3-glucanase gene was highest when embryos were suspended in a bacterial cell suspension at 0.5 OD600 and sonicated for 2 or 3 s at 60 kHz. Transformation efficiency with chitinase was highest on incorporation of 2 or 3 mg l(-1) phenylalanine, 1 or 2 mg l(-1) silver nitrate or 400 mg l(-1) l-cysteine in co-cultivation medium while incorporation of 20 mg l(-1) sodium thiosulphate produced highest transformation efficiency with beta-1,3-glucanase. Confirmed transgenic grapevine lines harboring anti-fungal genes exhibited higher levels of chitinase and beta-1,3-glucanase transcripts as well as enzymatic activities. Moreover, transgenic lines showed enhanced tolerance to P. viticola infection following detached leaf assays.
}, keywords = {Agrobacterium tumefaciens, Anti-oxidants, Downy mildew tolerance, Grapevine, Sonication}, issn = {0167-6857}, doi = {10.1007/s11240-012-0166-1}, author = {Nookaraju, Akula and Agrawal, Dinesh C.} } @article { ISI:000313149800004, title = {Enhancement in the magnetostriction of sintered cobalt ferrite by making self-composites from nanocrystalline and bulk powders}, journal = {ACS Applied Materials \& Interfaces}, volume = {4}, number = {12}, year = {2012}, month = {DEC}, pages = {6421-6425}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Sintered polycrystalline cobalt ferrite is a potential magnetostrictive smart material for applications as sensors and actuators. A novel concept of enhancing the magnetostrictive strain of sintered cobalt ferrite by making self-composites from nanosized and bulk powders with different particle sizes of the same material as components is reported. The self-composites give higher magnetostriction coefficient and strain derivative when compared to the sintered products obtained from the individual powders. The individual components give a maximum magnetostriction up to similar to 310 ppm, whereas up to similar to 370 ppm is obtained for a two-component system consisting of powders of two different sizes. On the other hand, a three-component self-composite made from starting powders of 3 nm, 40 nm and \>1 mu m give very high magnetostriction of similar to 400 ppm at 800 kA/m, suitable for making devices.
}, keywords = {Cobalt ferrite, Magnetostriction, Nanocrystalline, self-composite, Sintering}, issn = {1944-8244}, doi = {10.1021/am302053q}, author = {Mohaideen, Kamal Khaja and Joy, Pattayil Alias} } @article { ISI:000300185800011, title = {Enhancing the hydrogen storage capacity of Pd-functionalized multi-walled carbon nanotubes}, journal = {Applied Surface Science}, volume = {258}, number = {8}, year = {2012}, month = {FEB}, pages = {3405-3409}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We demonstrate that the hydrogen storage capacity of multi-walled carbon nanotubes can be enhanced by polyvinylpyrrolidone functionalization. The polyvinylpyrrolidone acts as a stabilizing agent for Pd-nanoparticles, reduces their size and facilitates their uniform and enhanced loading onto multi-walled carbon nanotubes. According to sorption studies, the polyvinylpyrrolidone capping and consequent nanostructural modification enables 2.3 times more hydrogen adsorption than mere Pd-functionalization of multi-walled carbon nanotubes. Corresponding morphological changes before and after polyvinylpyrrolidone capping, characterized using Raman Spectroscopy, X-ray diffraction, TEM and thermal analysis techniques, are also presented. The results contribute towards increasing the efficiency of hydrogen based sustainable energy sources. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Hydrogen based energy sources, Hydrogen storage capacity, Multiwalled carbon nanotubes, Pd functionalization, PVP capping}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2011.11.075}, author = {Singh, Priyanka and Kulkarni, Mukta V. and Gokhale, Suresh P. and Chikkali, Samir H. and Kulkarni, Chandrashekhar V.} } @article {42649, title = {Environmental pollution reduction in cement industry for cocombustion of waste tyre and coal as a fuel}, journal = {International Journal of Modern Engineering Research }, volume = {2}, year = {2012}, month = {DEC}, pages = {4652-4656}, abstract = {
In recent years, there are several problems encountered in waste management system particularly waste tyre as well as coals. The energy generation on incineration provides large amount of polycyclic aromatic hydrocarbon (PAH) emissions which is the cause of major environmental threat. Therefore, the combustion of coal and tyre were carried out in cement industry in order to generate heat energy at 1300oC and the only remaining residue (steel powder) to enhance the strength of the cement. At the outset, the particle size of coal and tyre was cut into 63-75 and 180-212 {\textmu}m respectively. Combustion experiments were conducted using Nelson reactor under controlled conditions in presence of air and also in presence of nitrogen gas (INOX) atmosphere. The temperature range was varied from 300-13000C and several fuel mass loading in the furnace, expressed in terms of bulk equivalence ratios in the range of 0.7-2.4. At fixed bulk equivalence ratios, as the furnace gas (Air) temperature increased the polycyclic aromatic hydrocarbon yields from both fuels decreased drastically, while the CO2 yields increased. At the highest temperature around 13000C, the effluent of combustion of both (coal and tyre) fuels was practically devoid of polycyclic aromatic hydrocarbon (PAH) (at a detection limit of 0.3 {\textmu}g of a PAH component/g of fuel burnt). In order to understand the rate of thermal effect and morphology of co combustion material (coal and tyre), the preliminary results are very essential to explore. Therefore, the thermo gravimetric analysis (TGA) and environmental scanning electron microscopy (ESEM) were carried out and results of coal and tyre mixture at various temperature conditions will be highlighted.
}, author = {Patil, R. K. and Garnaik, Baijayantimala and Khond, M. P. and Nawale, L. G.} } @article { ISI:000301936700004, title = {Environmentally benign synthesis of beta-hydroxy sulfides using cyclic carbonates catalyzed by large-pore zeolites}, journal = {Green Chemistry Letters and Reviews}, volume = {5}, number = {1}, year = {2012}, month = {AUG}, pages = {19-26}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
An efficient one-pot synthesis of beta-hydroxy sulfides from thiophenol and cyclic carbonates catalyzed by large-pore zeolites has been reported. Reaction of thiophenol with ethylene carbonate in the presence of the Na-X zeolite catalyst gave the highest yield of 2-(phenylthio)ethanol (100\%), while reaction with propylene carbonate a highest yield of regioselective product 1-(phenylthio)propan-2-ol was obtained (97\%). Enantiomerically pure 1,2-propylene carbonate gave highly regioselective and stereospecific phenylthiopropanol, demonstrating that original chirality of propylene carbonate is retained. A plausible mechanism has been proposed for zeolite-catalyzed transformation involving a chemoselective nucleophilic attack of thiophenoloxide ion onto the less-substituted carbon of cyclic carbonate. The Na-X zeolite catalyst is recyclable and provides advantages of green chemistry approach to the synthesis of beta-hydroxy sulfides without the use of any solvent.
}, keywords = {beta-hydroxy sulfide, ethylene carbonate, propylene carbonate, thiophenol, zeolite}, issn = {1751-8253}, doi = {10.1080/17518253.2011.574295}, author = {Upare, Pravin P. and Kinage, Anil K. and Shingote, Savita K. and Gupte, Sunil P.} } @article { ISI:000297609900010, title = {Enzyme immobilization on epoxy supports in reverse micellar media: prevention of enzyme denaturation}, journal = {Journal of Molecular Catalysis B-Enzymatic}, volume = {74}, number = {1-2}, year = {2012}, month = {JAN}, pages = {54-62}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Immobilization of enzymes such as alpha-chymotrypsin (EC 3.4.21.1), yeast alcohol dehydrogenase (YADH) from Saccharomyces cerevisiae (EC 1.1.1.1) and glucose dehydrogenase (GDH) from Gluconobacter cerinus (EC 1.1.1.119) has been carried out. Copolymers of allyl glycidyl ether (AGE) crosslinked with 25\% ethylene glycol dimethacrylate (EGDM) (25 mg, dry wt) were contacted with the enzymes solubilized in reverse micellar media (0.5-5 mg/mL)(overall) of sodium bis(2-ethylhexyl) sulfosuccinate (AOT) salt in isooctane, and cetyl trimethylammonium bromide (CTAB) in chloroform-isooctane (50:50, v/v). Although the enzymes are readily denatured (\>90\%) after adsorption on the copolymer in aqueous buffers, no such adsorption-induced denaturation takes place in reverse micelles. alpha-Chymotrypsin is remarkably stable in AOT reverse micelles when 0.025 M citrate buffer of pH 9.0 containing 2 mM CaCl2 is used in the water pools instead of Tris-HCl buffer of pH 8.5. It was possible to achieve enzyme concentration of 5 mg/mL in 0.3 M AOT at molar ratio of water to surfactant, (W-0), 30 and to obtain alpha-chymotrypsin loading of 20 mg/g of copolymer. The recovered enzyme solution can be reused with a fresh batch of polymer after supplementing the depleted solution. The immobilized enzyme exhibits excellent stability in aqueous buffers at room temperature and can be recycled several times. YADH is stable in both AOT and CTAB reverse micelles while GDH is stable only in CTAB reverse micelles containing 0.05 M Tris-HCI buffer of pH 8.5. Interestingly, the combination of YADH (2.5 mg/g) and GDH (0.5 mg/g) co-immobilized on the copolymer using CTAB-chloroform-isooctane system can be used for regeneration and recycle of NADPH at least 50 times as exemplified by complete reduction of a prochiral ketoester, ethyl 4-phenyl-2,4-dioxobutyrate (10 mM) to ethyl (R)-2-hydroxy-4-phenylbutyrate (HPB ester) using NADPH (0.2 mM). (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {allyl glycidyl ether, alpha-Chymotrypsin, ethylene glycol dimethacrylate, Glucose dehydrogenase, Reverse micelles, Yeast alcohol dehydrogenase}, issn = {1381-1177}, doi = {10.1016/j.molcatb.2011.08.014}, author = {Thudi, Lahari and Jasti, Lakshmi Swarnalatha and Swarnalatha, Yalangi and Fadnavis, Nitin W. and Mulani, Khudbudin Baban and Deokar, Sarika Babasaheb and Ponrathnam, Surendra} } @article { ISI:000312301800017, title = {Epitaxial magnetic oxide nanocrystals via phase decomposition of bismuth perovskite precursors}, journal = {Advanced Functional Materials}, volume = {22}, number = {24}, year = {2012}, month = {DEC}, pages = {5224-5230}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The phase instability of bismuth perovskite (BiMO3), where M is a ferromagnetic cation, is exploited to create self-assembled magnetic oxide nanocrystal arrays on oxide supports. Conditions during pulsed laser deposition are tuned so as to induce complete breakdown of the perovskite precursor into bismuth oxide (Bi2O3) and metal oxide (M-Ox) pockets. Subsequent cooling in vacuum volatizes the Bi2O3 leaving behind an array of monodisperse nanocrystals. In situ reflective high energy electron diffraction beam is exploited to monitor the synthesis in real-time. Analysis of the patterns confirms the phase separation and volatization process. Successful synthesis of M-Ox, where M = Mn, Fe, Co, and Cr, is shown using this template-free facile approach. Detailed magnetic characterization of nanocrystals is carried out to reveal the functionalities such as magnetic anisotropy as well as larger than bulk moments, as expected in these oxide nanostructures.
}, keywords = {Bi2O3 evaporation, bismuth perovskites, epitaxial nanostructures, magnetic oxides, phase separation}, issn = {1616-301X}, doi = {10.1002/adfm.201201066}, author = {Bogle, Kashinath A. and Cheung, Jeffrey and Chen, Yong-Lun and Liao, Sheng-Chieh and Lai, Chih-Hung and Chu, Ying-Hao and Gregg, John M. and Ogale, Satishchandra B. and Valanoor, Nagarajan} } @article { ISI:000306066600010, title = {Equation-of-motion coupled-cluster method for the study of shape resonance}, journal = {Journal of Chemical Physics}, volume = {136}, number = {23}, year = {2012}, month = {JUN}, pages = {234110}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
The equation-of-motion coupled-cluster method (EOM-CC) is applied for the first time to calculate the energy and width of a shape resonance in an electron-molecule scattering. The procedure is based on inclusion of complex absorbing potential with EOM-CC theory. We have applied this method to investigate the shape resonance in e(-)N(2), e(-)CO, and e(-)C(2)H(2). (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4729464]
}, issn = {0021-9606}, doi = {10.1063/1.4729464}, author = {Ghosh, Aryya and Vaval, Nayana and Pal, Sourav} } @article {42782, title = {Ethyl oligo-silicates with strong acid heterogeneous polymeric catalysts}, number = {PCT/IB2011/002531}, year = {2012}, month = {MAY}, type = {Application}, abstract = {
The present invention provides a process for the synthesis of ethyl silicate with varying silica concentration, by hydrolysing ethyl silicate in varying water concentration in the presence of sulfonated catalysts having a styrene-divinyl benzene backbone. The present invention further relates to the preparation of beaded crosslinked polymers containing sulfonic acid moieties having an interconnected pore structure and surface area up to 400 m2 /g.
}, author = {Bevara, Madhusudana Rao and Bhongale, Sunil Sitaram and Bhosle, Sonali Madhavrao and Chavan, Nayaku and Chelanattukizhakkemadath, Raman Rajan and Deokar, Sarika Babasaheb and Dhoble, Deepa Arun and Dwivedi, Mayank and Ghorpade, Ravindra V. and Harikrishna, Reghunathan and Dhanasekharan, Janakiraman and John, Aruldoss and Locanindi, Hari Sarvothama Rao and Momin, Mohasin Shamshuddin and Mulani, Khudbudin Baban and Mule, Smita Atmaram and Nalawade, Archana Chetan and Punitharasu, Vellimalai and Qureshi, Mohammed Shadbar and Kumar, Tayal Rajiv and Shaikh, Wasif Abdul Lateef and Sontakke, Kalpana Vishwanathrao and Reddy, Krishna Mohan Srinivasulu and Sriperambudur, Rajesh Kumar and Ponrathnam, Surendra} } @article { ISI:000308112300043, title = {Evaluation of the insect growth regulator lufenuron (MatchA (R)) for control of aedes aegypti by simulated field trials}, journal = {Parasitology Research}, volume = {111}, number = {3}, year = {2012}, month = {SEP}, pages = {1325-1329}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The insect growth regulator, Lufenuron, at concentrations of even multiples of LC90 (determined under laboratory conditions) was tested against the III instar larvae of Aedes aegypti under simulated field conditions. For all concentrations tested, 100 \% mortality of the larvae was observed within 24 h of exposure to Lufenuron-treated water. In experiments with LC90 x 4 Lufenuron concentration and where 15 \% of water volume was replaced daily, percent mortality of the larvae was reduced to 40 \% after the 54th day of treatment. Percentage mortality of the III instar larvae on the 54th day was higher in water with LC90 x 6 concentration than that observed for water with LC90 x 4 of Lufenuron. In the experiments with LC90 x 4 and LC90 x 6 concentrations of Lufenuron where 15 \% of water volume was replaced weekly, larval mortality obtained after the eighth week was 68.75 and 88.33 \%, respectively. In LC90 x 4 and LC90 x 6 of Lufenuron-treated stagnant water (without replacement of water), the percent mortality of the larvae on the 55th day was 65 and 90 \%, respectively. Introducing a fresh batch of III instar A. aegypti larvae in the Lufenuron-treated waters revealed that residual activity of Lufenuron was sustained for 45 days after the treatment. All these experiments revealed that Lufenuron not only affects the prevalence of the A. aegypti larvae but also induces the development of abnormal adults.
}, issn = {0932-0113}, doi = {10.1007/s00436-012-2968-9}, author = {Salokhe, S. G. and Deshpande, S. G. and Mukherjee, Samindra N.} } @article { ISI:000303426500018, title = {Evidence of cationic Pt active for water-gas shift reaction: Pt-doped BaCeO3 perovskite}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {17}, year = {2012}, month = {MAY}, pages = {9526-9532}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Precious metal incorporated into stable lattices like perovskites can be envisaged as an alternative catalysts to address deactivation problems. Here we report the barium cerate perovskite doped with varying amounts of Pt as catalysts for the water-gas shift reaction whereby ionic Pt is evidenced to be active. It is found that maximum CO conversion occurs above 325 degrees C and increases more than 2-fold after the first cycle. XPS analysis shows that after the first cycle, more ionic Pt species are present on the surface of the catalyst. X-ray and neutron diffraction studies also indicate the presence of oxygen vacancies that increases with increasing Pt substitution.
}, issn = {1932-7447}, doi = {10.1021/jp212211d}, author = {Rajesh, Thattarathody and Rajarajan, Anakot K. and Gopinath, Chinnakonda S. and Devi, R. Nandini} } @article { ISI:000304570000010, title = {Expanding the structural repertoire of beta/alpha Ant-Pro (anthranilic acid-proline) oligomers into gamma/alpha 2-Amb-Pro (2-aminomethyl benzoic acid-proline) oligomers}, journal = {Tetrahedron}, volume = {68}, number = {23}, year = {2012}, month = {JUN}, pages = {4399-4405}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In this article, we report a novel class of heterogeneous synthetic oligomers featuring the conformationally constrained amino acid residues - 2-aminomethyl benzoic acid (2-Amb) and proline (Pro) in repeating sequences. Oligomers as large as hexadecamers featuring the conformationally restricted gamma/alpha 2-Amb-Pro motif have been assembled using solution-phase Boc strategy, following multi-step synthetic sequences starting from the commercially available O-toluic acid. EDC-mediated peptide coupling has been found to be optimum for the assembly of the relatively non-polar oligomers, which could be readily purified by the standard column chromatographic purification procedures. This study offers considerable prospects of expanding the structural repertoire of beta/alpha Ant-Pro motif, which has been described earlier to assume right-handed helical architecture displaying robust nine-membered-ring closed network of hydrogen-bonding interactions, into gamma/alpha 2-Amb-Pro motif. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Amino acids, Foldamer, Peptides, Proline, Synthetic oligomers}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.02.006}, author = {Ramesh, Veera V. E. and Priya, Gowri and Rajamohanan, P. R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000307494500027, title = {Exploring the potential of doped zero-dimensional cages for proton transfer in fuel cells: a computational study}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {32}, year = {2012}, month = {AUG}, pages = {9803-9811}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Calculations with density functional theory (DFT) and MP2 have been done to investigate the potential of recently synthesized durable zero-dimensional (OD) nitrogen-based cage structures to perform as efficient proton-exchange membranes (PEMs) in fuel cells. Our calculations suggest that the hydrogenated 0-D cages, in combination with hydrogen-bonding 1,2,3- and 1,2,4-triazole molecules, would perform as highly efficient PEMs. The results are important in the context of the need for efficient PEMs for fuel cells, especially at higher temperatures (greater than 120 degrees C) where conventional water-based PEMs such as Nafion have been found to be ineffective.
}, issn = {1520-6106}, doi = {10.1021/jp303884p}, author = {Mane, Manoj V. and Venkatnathan, Arun and Ghatak, Kamalika and Vanka, Kumar} } @article { ISI:000306111900003, title = {Extended coupled cluster for Raman and infrared spectra of small molecules}, journal = {Chemical Physics}, volume = {403}, year = {2012}, month = {JUL}, pages = {25-32}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In this paper we study the harmonic vibrational frequencies, infrared (IR) intensities, Raman intensities and depolarization ratio using extended coupled cluster method. Raman and IR intensities are mixed derivatives of energy with respect to the electric field and geometric perturbation whereas vibrational frequencies are derivatives of energy with respect to geometry. We use semi-numerical approach to obtain these derivatives. We have studied the effect of electron correlation and basis set for the above properties. We compare our results with non-variational coupled cluster and experimental values, wherever available. We have studied HF, BH, CH+, CO and H2CO molecules in different basis sets. For HF molecule, benchmarking is done with full CI values and basis set convergence is studied for this molecule. Effect of triples is studied for all the molecules. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Extended coupled cluster, IR and Raman spectroscopy, Mixed derivatives}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2012.04.017}, author = {Joshi, Sayali P. and Dutta, Achintya Kumar and Pal, Sourav and Vaval, Nayana} } @article { ISI:000306045000005, title = {Extracellular biosynthesis of platinum nanoparticles using the fungus fusarium oxysporum}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {97}, year = {2012}, month = {SEP}, pages = {27-31}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nanoscience is a blooming field and promises a better future. In order to fabricate nanoparticles in an eco-friendly and inexpensive manner, significant efforts are being made to replace the chemical and physical methods currently being used with the biological methods. Chemical methods are toxic while the physical ones are very expensive. Biological methods, apart from being cost-effective, also provide protein capped nanoparticles which are thus very stable, have good dispersity and do not flocculate, and may find use in various applications. The present work emphasizes on platinum nanoparticles synthesis protocol which occurs at ambient conditions. The fungus Fusarium oxysporum when incubated with hexachloroplatinic acid (H2PtCl6) in ambient conditions reduces the precursor and leads to the formation of stable extracellular platinum nanoparticles. The biosynthesis of platinum nanoparticles was monitored by UV-visible spectroscopy and these nanoparticles were completely characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The nanoparticles are in the size range of 5-30 nm and are stabilized by proteins present in the solution. The reduction process is believed to occur enzymatically, thus creating the possibility of a rational, fungal-based method for the synthesis of nanoparticles over a wide range of chemical compositions. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Biosynthesis, Fungus, Nanoparticles, platinum}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2012.03.026}, author = {Syed, Asad and Ahmad, Absar} } @article { ISI:000302832800039, title = {Extraction and purification of tannase by reverse micelle system}, journal = {Separation and Purification Technology}, volume = {89}, year = {2012}, month = {MAR}, pages = {288-296}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Tannin acyl hydrolase commonly called as tannase (EC 3.1.1.20) is a commercially important enzyme. Partially purified and concentrated tannase is required for commercial applications. Typical objectives of purification process comprise high fold-purification, recovery and concentration. These objectives may be potentially conflicting. Conventional methods of purification require multiple steps which are time consuming and may cause higher loss. Reverse micellar extraction (RME) using ionic surfactants provides an attractive option for concentration and purification of tannase which is a highly hydrophilic glycoprotein. This study presents an optimized methodology for RME and purification of Aspergillus allahabadi intracellular tannase. Fold-purification, percent recovery and extraction time were the objective while the type and concentration of surfactant, contact time, pH, ionic strength, and the ratio of organic to aqueous phase were the decision variables. Some of these parameters were also studied for their effect on back-extraction. Among the surfactants tested, CTAB-isooctane system was found to be suitable. Under optimized conditions, 12.7-fold purification, 81.2\% recovery and 3-fold concentration of tannase with a process time of 45 min was obtained. Conventional purification methods provided a higher fold-purification albeit at a much lower enzyme recovery. Further, the conventional method requires a process time of several hours. (c) 2012 Elsevier B.V. All rights reserved.
}, keywords = {CTAB, Reverse micellar extraction, Tannase}, issn = {1383-5866}, doi = {10.1016/j.seppur.2012.01.043}, author = {Gaikaiwari, Raghavendra P. and Wagh, Shilpa A. and Kulkarni, Bhaskar D.} } @article { ISI:000306946500013, title = {Facile synthesis of oxyavicine}, journal = {RSC Advances}, volume = {2}, number = {18}, year = {2012}, month = {JUL}, pages = {7087-7090}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Starting from dimethyl 3,4-methylenedioxyhomophthalate, a concise total synthesis of oxyavicine has been described via the base catalyzed monoalkylation, homophthalimide formation, oxidative selective iodination, regioselective reductive dehydration and an intramolecular Heck coupling reaction followed by the oxidation pathway with 16\% overall yield in six steps.
}, issn = {2046-2069}, doi = {10.1039/c2ra20915b}, author = {Jangir, Ravi and N. P. Argade} } @article { ISI:000301990100016, title = {Factors affecting the production of H-2 by water splitting over a novel visible-light-driven photocatalyst GaFeO3}, journal = {International Journal of Hydrogen Energy}, volume = {37}, number = {6}, year = {2012}, month = {MAR}, pages = {4897-4907}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A d(10) photocatalyst, GaFeO3 having a band gap of similar to 2.7 eV, exhibits significant activity for the overall splitting of water under visible light (\>395 nm) irradiation, in the absence of sacrificial reagent or a noble metal co-catalyst. The doping of an anion led to considerable enhancement in activity, the S-doped catalysts displaying better activity compared to the samples containing nitrogen. Even though the H-2/O-2 yields were affected by preparation-dependent grain morphology, no direct relationship was observed between the photoactivity of a sample and its specific surface area. The techniques of HRTEM, SEM, XPS, Laser Raman, UV-visible and photoluminescence spectroscopy have enabled to demonstrate that, besides the grain morphology, certain lattice imperfections and microstructure may also play a crucial role in water splitting activity of a photocatalyst. The factors responsible for catalyst deactivation are examined. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {GaFeO3, hydrogen production, Microstructure, Photocatalyst, water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2011.12.068}, author = {Dhanasekaran, P. and Gupta, N. M.} } @article { ISI:000306946500009, title = {FeCl3/Montmorillonite K10 as an efficient catalyst for solvent-free aza-Michael reaction between amine and alpha,beta-unsaturated compounds}, journal = {RSC Advances}, volume = {2}, number = {18}, year = {2012}, month = {JUN}, pages = {7061-7065}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A highly efficient, inexpensive and greener protocol for aza-Michael addition reaction of different aromatic and aliphatic/cyclic amines to alpha,beta-unsaturated compounds using a FeCl3/MontK10 catalyst under solvent-free conditions has been developed. The Michael addition products are obtained in good to excellent yields. The catalyst was insensitive to moisture and it also showed excellent reusability in the reaction. Its high activity is attributed mostly to redox properties of FeCl3.
}, issn = {2046-2069}, doi = {10.1039/c2ra01323a}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Patil, S. K.} } @article { ISI:000306215900022, title = {Fine-tuning the balance between crystallization and gelation and enhancement of CO2 uptake on functionalized calcium based MOFs and metallogels}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {30}, year = {2012}, month = {MAY}, pages = {14951-14963}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The synthesis, structure, gas adsorption and catalytic properties of a new 3D porous, crystalline metal-organic framework (Ca-5TIA-MOF) as well as stable viscoelastic metallogels (Ca-5TIA-Gel) are reported. Remarkably, the preparation of both types of materials can be carried out starting from the same organic ligand (i.e. 5-(1,2,4-triazoleyl) isophthalic acid (5TIA)), divalent metal ion (i.e. Ca(II)) and organic solvent (i.e. DMF). In this particular case, the presence of water in the solvent system favors the formation of a crystalline MOF, whereas a pure organic solvent induces gelation. The characterization of the materials was carried out using a series of techniques including XRD, FT-IR, TGA, TEM, SEM, SAXS and dynamic rheology. Experimental PXRD peaks of both Ca-5TIA-xerogel and Ca-5TIA-MOF matched reasonably well with simulated PXRD, suggesting the presence of, at least, some common structural elements in the 3D networks of both xerogel and crystalline phases. Moreover, the nature of the metal counteranion was found to have a critical influence on the gelation phenomenon. To the best of our knowledge, this report describes unprecedented Ca-based LMW-metallogels, as well as the first porous Ca-based MOF, which shows adsorption capacity for CO2 at 1 atm pressure. Interestingly, Ca-5TIA-xerogel presented 20\% higher CO2-uptake than the crystalline Ca-5TIA-MOF at 1 atm and 298 K. Both Ca-5TIA-MOF and Ca-5TIA-Gel also displayed a modest catalytic activity towards the hydrosilylation of benzaldehyde, with slightly better performance for the gel phase material.
}, issn = {0959-9428}, doi = {10.1039/c2jm30866e}, author = {Mallick, Arijit and Schoen, Eva-Maria and Panda, Tamas and Sreenivas, K. and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000311350000015, title = {First principle investigation on the thermal stability of a golden fullerene: a case study of Au-32}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {106-109}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Structural and electronic properties of Au-32 cluster are analyzed using relativistic density functional theory (DFT) based methods. Further, DFT based molecular dynamical (MD) simulations are performed on Au-32 golden fullerene with an aim of understanding its thermal stability at various working temperatures. Various conformations being populated at different temperatures of a cluster are analyzed. The study shows that the ground state icosahedral conformation is stable only up to 300 K and structure remains in a hollow conformation only up to 400 K. This clearly explains the reasons for failure by experimentalists in trapping the unique fullerene conformation in spite of the theoretical predictions of it being a very stable one. The above MD study also indicates that the bare fullerene Au-32 cluster (without any stabilizing ligands) can be used for potential catalytic applications only around room temperatures. (C) 2012 Elsevier B. V. All rights reserved.
}, keywords = {Au-32 cluster, Born-Oppenheimer molecular dynamics, Density functional theory, Golden fullerenes, Relativistic effects}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.04.072}, author = {De, Himadri Sekhar and Krishnamurty, Sailaja and Pal, Sourav} } @article { ISI:000312145400009, title = {First total synthesis of seimatopolide B}, journal = {RSC Advances}, volume = {2}, number = {30}, year = {2012}, month = {OCT}, pages = {11231-11234}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The first enantioselective total synthesis of seimatopolide B has been achieved, using ring-closing metathesis and DCC (N,N{\textquoteright}-dicyclohexylcarbodiimide) coupling as key steps. The stereogenic centres were generated by means of iterative hydrolytic kinetic resolution (HKR) of racemic epoxides.
}, issn = {2046-2069}, doi = {10.1039/c2ra21838k}, author = {Nookaraju, U. and Harbindu, Anand and Bhise, Ankushkumar D. and Sharma, Brijesh M. and Kumar, Pradeep} } @article {43235, title = {First-principle protocol for calculating ionization energies and redox potentials of solvatedmolecules and ions: theory and application to aqueous phenol and phenolate}, journal = {Journal of Physical Chemistry B}, volume = {116}, year = {2012}, month = {JUN}, pages = {7269-7280}, abstract = {The effect of hydration on the lowest vertical ionization energy (VIE) of phenol and phenolate solvated in bulk water was characterized using the equation-of-motion ionization potential coupled-cluster (EOM-IP-CCSD) and effective fragment potential (EFP) methods (referred to as EOM/EFP) and determined experimentally by valence photoemission measurements using microjets and synchrotron radiation. The computed solvent-induced shifts in VIEs (Delta VIEs) are 0.66 and +5.72 eV for phenol and phenolate, respectively. Our best estimates of the absolute values of VIEs (7.9 and 7.7 eV for phenol and phenolate) agree reasonably well with the respective experimental values (7.8 +/- 0.1 and 7.1 +/- 0.1 eV). The EOM/EFP scheme was benchmarked against full EOM-IP-CCSD using microsolvated phenol and phenolate clusters. A protocol for calculating redox potentials with EOM/EFP was developed based on linear response approximation (LRA) of free energy determination. The oxidation potentials of phenol and phenolate calculated using LRA and EOM/EFP are 1.32 and 0.89 V, respectively; they agree well with experimental values.}, doi = {10.1021/jp301925k}, author = {Ghosh, Debashree and Roy, Anirban and Seidel, Robert and Winter, Bernd and Bradforth, Stephen and Krylov, Anna I.} } @article { ISI:000305276600039, title = {Flow-induced channelization in a porous medium}, journal = {EPL}, volume = {98}, number = {5}, year = {2012}, month = {JUN}, pages = {58003}, publisher = {EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY}, address = {6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE}, abstract = {
Flow through a saturated, granular, porous medium can lead to internal erosion, preferential flow enhancement, and the formation of channels within the bulk of the medium. We examine this phenomenon using a combination of experimental observations, continuum theory and numerical simulations in a minimal setting. Our experiments are carried out by forcing water through a Hele-Shaw cell packed with bidisperse grains. When the local flow-induced stress exceeds a critical threshold, the smaller grains are dislodged and transported. This changes the porosity of the medium, thence, the local hydraulic conductivity, and leads to the development of erosional channels. Erosion is ultimately arrested due to the drop in the mean pressure gradient, while most of the flow occurs through the channels. We describe this using a minimal multiphase description of erosion where the volume fraction of the fluid, mobile, and immobile, grains change in space and time. Numerical solutions of the resulting initial boundary value problem yield results for the dynamics and morphology that are in qualitative agreement with our experiments. In addition to providing a basis for channelization in porous media, our study highlights how heterogeneity in porous media may arise from flow as a function of the erosion threshold. Copyright (C) EPLA, 2012
}, issn = {0295-5075}, doi = {10.1209/0295-5075/98/58003}, author = {Mahadevan, A. and Orpe, Ashish V. and Kudrolli, A. and Mahadevan, L.} } @article { ISI:000312111500001, title = {Fluorescent superparamagnetic iron oxide core-shell nanoprobes for multimodal cellular imaging}, journal = {Materials Express}, volume = {2}, number = {4}, year = {2012}, month = {DEC}, pages = {265-274}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Multimodal imaging agents that combine magnetic and fluorescent imaging capabilities are desirable for the high spatial and temporal resolution. In the present work, we report the synthesis of multifunctional fluorescent ferrofluids using iron oxide as the magnetic core and rhodamine B as fluorochrome shell. The core-shell structure was designed in such a way that fluorescence quenching due to the inner magnetic core was minimized by an intermediate layer of silica. The intermediate passive layer of silica was realized by a novel method which involves the esterification reaction between the epoxy group of prehydrolysed 3-Glyidoxypropyltrimethoxysilane and the surfactant over iron oxide. The as-synthesized ferrofluids have a high saturation magnetization in the range of 62-65 emu/g and were found to emit light of wavelength 640 nm (lambda(excitation) = 446 nm). Time resolved life time decay analysis showed a bi-exponential decay pattern with an increase in the decay life time in the presence of intermediate silica layer. Cytotoxicity studies confirmed the cell viability of these materials. The in vitro MRI imaging illustrated a high contrast when these multimodal nano probes were employed and the R2 relaxivity of these sample was found to be 334 mM(-1)s(-1) which reveals its high potential as a T2 contrast enhancing agent.
}, keywords = {GPTMS, MRI Imaging, Multimodal Imaging, SPION, T2 Contrast Agent}, issn = {2158-5849}, doi = {10.1166/mex.2012.1083}, author = {Smitha, Sasidharan and Haseena, Vadakkenchery S. and Narayanan, Tharangattu N. and Mary, Antony P. Reena and Ajayan, Pulickel M. and Puthumana, Jayesh and Aziz, Anas A. and Aburto, Rebeca R. and Mani, Sendurai A. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000298731200036, title = {Fluorinated metal-organic frameworks: advantageous for higher H-2 and CO2 adsorption or not?}, journal = {Chemistry-A European Journal}, volume = {18}, number = {2}, year = {2012}, month = {JAN}, pages = {688-694}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The synthesis, structure, and gas adsorption properties of three new metalorganic frameworks (MOFs) designed from isonicotinic acid (INA) and its fluorinated analogue 3-fluoroisonicotinic acid (FINA) along with CoII as the metal center have been reported. Co-INA-1 ([Co3(INA)4(O)(C2H5OH)3][NO3].C2H5OH.3?H2O; INA=isonicotinic acid) and Co-INA-2 ([Co(INA)2].DMF) are structural isomers as are Co-FINA-1 ([Co3(FINA)4(O)(C2H5OH)2].H2O; FINA=3-fluoroisonicotinic acid) and Co-FINA-2 ([Co(FINA)2].H2O), but the most important thing to note here is that Co-INA-1 and Co-FINA-1 are isostructural as are Co-INA-2 and Co-FINA-2. The effect of partial introduction of fluorine atoms into the framework on the gas uptake properties of MOFs having similar structures has been analyzed experimentally and computationally in isostructural MOFs.
}, keywords = {cobalt, fluorine, Hydrogen storage, metal-organic frameworks, microporous materials, X-ray diffraction}, issn = {0947-6539}, doi = {10.1002/chem.201102295}, author = {Pachfule, Pradip and Chen, Yifei and Jiang, Jianwen and Banerjee, Rahul} } @article {42679, title = {Foam based synthesis of metal carbonates: establishing the role of spatial confinement for obtaining interesting morphologies}, journal = {Journal of Computational and Theoretical Nanoscience}, volume = {11}, year = {2012}, month = {MAY}, pages = {91-97}, abstract = {
The crystallization of different carbonates namely lead carbonate, cadmium carbonate and strontium carbonate in aqueous foam stabilized by the surfactant sodium dodecyl sulphate (SDS) by a method of cation entrapment is described. Reaction of ammonium carbonate with the respective cations electrostatically entrapped in the foam results in the formation of minerals, possibly in the Plateau border and Plateau junction regions of the foam. The unusual morphology of the crystals obtained from foam based synthetic method as compared to the crystals prepared in aqueous solution shows the utility of the template for the growth of crystals with an unusual morphology due to constrained environment. The materials are well characterized using TEM, SEM, EDAX and FTIR techniques. The large interfacial area of the liquid lamellae in the foam provides a striking possibility for the large-scale synthesis for not only minerals but also other nanoscale materials.
}, doi = {10.1166/asl.2012.2175}, author = {Bala, Tanushree and Sanyal, Ambarish and Pant, Jayashree and Bhagavatula L. V. Prasad} } @article {42666, title = {Fock-space multi-reference coupled-cluster response with the effect of triples on dipole moment of ClO and SF radicals}, journal = {Journal of Chemical Sciences}, volume = {124}, year = {2012}, month = {JAN}, pages = {223-232}, doi = {10.1007/s12039-012-0220-x}, author = {Ravichandran, Lalitha and Bhattacharya, Debarati and Vaval, Nayana and Pal, Sourav} } @article { ISI:000303001000003, title = {Foldamers: they{\textquoteright}re not just for biomedical applications anymore}, journal = {Angewandte Chemie-International Edition}, volume = {51}, number = {17}, year = {2012}, month = {APR}, pages = {4006-4008}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, keywords = {Foldamers, foldaxanes, molecular shuttles, nanotechnology}, issn = {1433-7851}, doi = {10.1002/anie.201107521}, author = {Prabhakaran, Panchami and Priya, Gowri and Sanjayan, Gangadhar J.} } @article { ISI:000303429600017, title = {Formal synthesis of (-)-stemoamide using a useful epimerization at C-8}, journal = {Tetrahedron Letters}, volume = {53}, number = {21}, year = {2012}, month = {MAY}, pages = {2647-2650}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The formal synthesis of (-)-stemoamide was achieved starting from L-pyroglutamic acid. The key steps used are the allylation using BF3 center dot OEt2, ring closing metathesis, allylic oxidation and a novel epimerization at C8. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Allylation, Allylic oxidation, Pyroglutamic acid, Ring closing metathesis, Stemoamide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.03.054}, author = {Chavan, Subhash P. and Harale, Kishor R. and Puranik, Vedavati G. and Gawade, Rupesh L.} } @article { ISI:000307433600011, title = {Formal synthesis of tetrahydrolipstatin and tetrahydroesterastin}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {11-12}, year = {2012}, month = {JUN}, pages = {884-890}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A versatile and efficient approach to (3.5,5R)-methyl 3-(benzyloxy)-5-(methoxymethoxy)hexadecanoate, a key chiral building block and a common polyol fragment of the anti-tumor and anti-obesity agents tetrahydrolipstatin 3 and tetrahydroesterastin 4 using both hydrolytic kinetic resolution (HKR) and proline catalyzed sequential alpha-aminoxylation, followed by HWE-olefination reaction is described. (c) 2012 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.05.025}, author = {Tripathi, Divya and Kumar, Pradeep} } @article { ISI:000305831300031, title = {From small aromatic molecules to functional nanostructured carbon by pulsed laser-induced photochemical stitching}, journal = {AIP Advances}, volume = {2}, number = {2}, year = {2012}, month = {JUN}, pages = {Article No. 022130}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
A novel route employing UV laser pulses (KrF Excimer, 248 nm) to cleave small aromatic molecules and stitch the generated free radicals into functional nanostructured forms of carbon is introduced. The process differs distinctly from any strategies wherein the aromatic rings are broken in the primary process. It is demonstrated that this pulsed laser-induced photochemical stitching (PLPS) process when applied to routine laboratory solvents (or toxic chemical wastes when discarded) Chlorobenzene and o-Dichlorobenzene yields Carbon Nanospheres (CNSs) comprising of graphene-like sheets assembled in onion-like configurations. This room temperature process implemented under normal laboratory conditions is versatile and clearly applicable to the whole family of haloaromatic compounds without and with additions of precursors or other nanomaterials. We further bring out its applicability for synthesis of metal-oxide based carbon nanocomposites. Copyright 2012 Author(s). This article is distributed under a Creative Commons Attribution 3.0 Unported License. [http://dx.doi.org/10.1063/1.4721268]
}, issn = {2158-3226}, doi = {10.1063/1.4721268}, author = {Gokhale, R. R. and Thakare, V. P. and Warule, S. and Lefez, Benoit and Hannoyer, Beatrice and Jog, Jyoti Prakash and Ogale, S. B.} } @article { ISI:000306799700029, title = {Functional characterization and differential expression studies of squalene synthase from Withania somnifera}, journal = {Molecular Biology Reports}, volume = {39}, number = {9}, year = {2012}, month = {SEP}, pages = {8803-8812}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Squalene synthase (SQS: EC 2.5.1.21) is a potential branch point regulatory enzyme and represents the first committed step to diverge the carbon flux from the main isoprenoid pathway towards sterol biosynthesis. In the present study, cloning and characterization of Withania somnifera squalene synthase (WsSQS) cDNA was investigated subsequently followed by its heterologous expression and preliminary enzyme activity. Two different types of WsSQS cDNA clones (WsSQS1and WsSQS2) were identified that contained an open reading frames of 1,236 and 1,242 bp encoding polypeptides of 412 and 414 amino acids respectively. Both WsSQS isoforms share 99 \% similarity and identity with each other. WsSQS deduced amino acids sequences, when compared with SQS of other plant species, showed maximum similarity and identity with Capsicum annuum followed by Solanum tuberosum and Nicotiana tabacum. To obtain soluble recombinant enzymes, 24 hydrophobic amino acids were deleted from the carboxy terminus and expressed as 6X His-Tag fusion protein in Escherichia coli. Approximately 43 kDa recombinant protein was purified using Ni-NTA affinity chromatography and checked on SDS-PAGE. Preliminary activity of the purified enzymes was determined and the products were analyzed by gas chromatograph-mass spectrometer (GC-MS). Quantitative real-time PCR (qRT-PCR) analysis showed that WsSQS expresses more in young leaves than mature leaves, stem and root.
}, keywords = {Gas chromatograph-Mass Spectrometer (GC-MS), qRT-PCR, Squalene synthase, Withania somnifera}, issn = {0301-4851}, doi = {10.1007/s11033-012-1743-4}, author = {Gupta, Neha and Sharma, Poonam and Kumar, R. J. Santosh and Vishwakarma, Rishi K. and Khan, Bashir Mohammad} } @article { ISI:000312974000005, title = {Functionalized metal organic frameworks (MOFs) for reversible gas storage and sequestration applications}, journal = {Journal of the Indian Chemical Society}, volume = {89}, number = {9}, year = {2012}, month = {SEP}, pages = {1197-1202}, publisher = {SCIENTIFIC PUBL-INDIA}, address = {5-A, NEW PALI RD, PO BOX 91, NEAR HOTEL TAJ HARI MAHAL, JODHPUR, 342 003, INDIA}, abstract = {
The decreasing amount of fossil fuels and increasing threat of global warming from the pollutants have driven the search for clean energy source. Energy sources from fossil fuels still remain in the forefront despite being a major source of increased CO2 content in the atmosphere. Metal Organic Frameworks (MOFs) have emerged as promising materials for hydrogen storage and CO2 sequestration. Several factors influencing the hydrogen uptake of porous MOFs such as surface area, catenation, ligand functionalization, doping with alkali metals and unsaturated metal centers have been extensively studied. Similarly, well defined periodicity and tunable pore sizes along with less basic amino-functionalized MOFs enables them favorable for fast and reversible CO2 gas adsorption at low partial pressure and room temperature. In this review we present diverse aspects of metal organic frameworks like fluorination, amino functionalization for high hydrogen storage and CO2 sequestration capabilities.
}, keywords = {carbon capture, CO2 adsorption, fluorination, Hydrogen storage, Metal-organic framework, structural isomerism}, issn = {0019-4522}, author = {Banerjee, Rahul} } @article { ISI:000305419900012, title = {Gamma-Al2-xMxO3 +/- y (M = Ti4+ through Ga3+): potential pseudo-3D mesoporous materials with tunable acidity and electronic structure}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {27}, year = {2012}, month = {APR}, pages = {13484-13493}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple and highly efficient surfactant-free sol-gel process has been developed to obtain nanocrystalline mesoporous gamma-Al2O3 and metal ion incorporated mesoporous gamma-Al2O3 with general formula gamma-Al2-xMxO3 +/- y (where M = Ti4+ through Ga3+). Any one of the first row transition metal (TM) ions along with Ga3+ could be introduced into the gamma-Al2O3 framework in a direct one-pot synthesis process. The generality of the present synthesis recipe for metal ion incorporation in gamma-Al2O3 was demonstrated by preparation of an Al-Ga-M ternary oxide system with the metal ion composition of general formula Al9GaTM (TM = Ti4+ to Zn2+) and their characterization through various physicochemical and spectroscopic techniques. The mesoporous gamma-Al2-xMxO3 +/- y materials showed a BET surface area in the range of 200-400 m(2) g(-1) with a narrow pore size distribution. Wormhole mesoporosity makes the material pseudo-3D (p3D) with a small pore depth of few nm (\<10 nm). Metal ions in gamma-Al2O3 lead to changes in the acidity and electronic environment. XRD, TEM, and Al-27 MAS NMR studies demonstrate that the sol-gel process and the disordered mesoporous structure allow Ga and TM ions to be highly distributed and integrated in the gamma-Al2O3 framework. The efficacy of these materials in catalysis has been successfully evaluated for steam reforming of dimethylether: Ni, Cu and Zn containing Al9GaTM oxides showed high activity and stability. The smaller mesochannel depth (\<10 nm) and pseudo-3D characteristics that arise due to the wormhole-type disordered mesoporous framework of these alumina materials facilitate mass transport through them without any leaching of metal ions out of the lattice and pore blocking during the reaction, which makes them attractive in catalysis. This preparation method is versatile enough to be used for a reproducible synthesis of metal ion incorporated mesoporous gamma-Al2O3 by varying the metal content and their combinations, and it is expected that many other metal ions could be introduced into the lattice framework for a variety of applications by tuning acidity and electronic structure.
}, issn = {0959-9428}, doi = {10.1039/c2jm31184d}, author = {Mathew, Thomas and Sivaranjani, Kumarsrinivasan and Gnanakumar, Edwin S. and Yamada, Yusuke and Kobayashi, Tetsuhiko and Gopinath, Chinnakonda S.} } @article { ISI:000311755000014, title = {Gellan Gum a novel polysaccharide matrix for immobilization of thermo-tolerant yeast cells with invertase activity: factorial design and rheological studies}, journal = {Research Journal of Biotechnology}, volume = {7}, number = {4}, year = {2012}, month = {NOV}, pages = {81-87}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {
The microbial extracellular polysaccharide gellan gum has been explored for its application in whole cell immobilization. Preliminary evaluation of the physicochemical properties of gellan gum in the presence of monovalent cation tetramethyl ammonium chloride (TMACl) was carried out. Gellan gum immobilized cells demonstrated better rheological properties than gellan gum. Attempts have been made to reveal the evaluation of gellan gum as a matrix to immobilize a thermotolerant yeast Kluyveromyces marxianus NCYC 2675. A 3(2) factorial design was used to study the simultaneous effect of two variables. The effect of the polymer concentration and TMACl concentration on various dependent variables like gelling temperature, mean particle size and enzyme activity of the yeast cells was studied. A statistical model with a significant interaction term was obtained to predict the results. Further, optimized immobilized system was evaluated with significant storage stability at 10 C and enhanced reusability with maximum conversion of \> 90 \% when crosslinked with glutaraldehyde.
}, keywords = {Gellan gum, Glutaraldehyde, Immobilization, invertase, Rheology, yeast cells}, issn = {0973-6263}, author = {Sulabha, Karandikar and Asmita, Prabhune} } @article { ISI:000298854300037, title = {Gellan gum capped silver nanoparticle dispersions and hydrogels: cytotoxicity and in vitro diffusion studies}, journal = {Nanoscale}, volume = {4}, number = {2}, year = {2012}, month = {OCT}, pages = {563-567}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The preparation of highly stable water dispersions of silver nanoparticles using the naturally available gellan gum as a reducing and capping agent is reported. Further, exploiting the gel formation characteristic of gellan gum silver nanoparticle incorporated gels have also been prepared. The optical properties, morphology, zeta potential and long-term stability of the synthesized silver nanoparticles were investigated. The superior stability of the gellan gum-silver nanoparticle dispersions against pH variation and electrolyte addition is revealed. Finally, we studied the cytotoxicity of AgNP dispersions in mouse embryonic fibroblast cells (NIH3T3) and also evaluated the in vitro diffusion of AgNP dispersions/gels across rat skin.
}, issn = {2040-3364}, doi = {10.1039/c1nr10957j}, author = {Dhar, Sheetal and Murawala, Priyanka and Shiras, A. and Pokharkar, V. and Bhagavatula L. V. Prasad} } @article { ISI:000301016800041, title = {Genetic homogeneity of in vitro raised plants of grapevine cv. crimson seedless revealed by ISSR and microsatellite markers}, journal = {South African Journal of Botany}, volume = {78}, year = {2012}, month = {JAN}, pages = {302-306}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The present study was conducted to test the clonal homogeneity of six month old tissue culture raised plants of grapevine cv. Crimson Seedless using Inter Simple Sequence Repeat (ISSR) and Simple Sequence Repeat (SSR) markers. Visible assessment of these in vitro raised plants maintained in polyhouse did not show any morphological differences among themselves. However, to test the genetic homogeneity of these plants, we screened 50 ISSR primers out of which, 22 primers produced scorable and repeatable bands. These 22 primers were used further for assessing genetic homogeneity of in vitro raised plants of Crimson Seedless. These 22 ISSR primers generated 134 distinct band classes with a total of 3216 scorable bands. All the primers showed uniform banding pattern for all the in vitro raised plants and the mother plant. In case of 5 SSR primers (VS I, VVMD5, VVS2, VMCNG4c8 and VVMD31) used, a total of 288 scorable bands were obtained. The allele sizes ranged from 98 to 254 bp. Allelic composition of 23 in vitro raised plants and the mother plant at 5 SSR loci did not show any polymorphism. The results of the two marker systems in the present study revealed the genetic uniformity among the in vitro raised plants demonstrating the reliability of in vitro propagation system used for the cultivar. (C) 2011 SAAB. Published by Elsevier B.V. All rights reserved.
}, keywords = {Allele composition, Clonal fidelity, Inter Simple Sequence Repeats, Monomorphic bands, Tissue culture, Vitis vinifera L.}, issn = {0254-6299}, doi = {10.1016/j.sajb.2011.08.009}, author = {Nookaraju, A. and Agrawal, Dinesh C.} } @article { ISI:000310589300036, title = {Genome sequence of nitratireductor aquibiodomus strain RA22}, journal = {Journal of Bacteriology}, volume = {194}, number = {22}, year = {2012}, month = {NOV}, pages = {6307}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {
The genus Nitratireductor represents nitrate-reducing bacteria from the family Phyllobacteriaceae. Here we report the draft genome sequence of Nitratireductor aquibiodomus strain RA22, which contains 4,592,790 bp, with a G+C content of 61.30\%, and has 4,241 protein coding genes.
}, issn = {0021-9193}, doi = {10.1128/JB.01510-12}, author = {Singh, Ajit and Jangir, Pramod Kumar and Kumari, Chanchal and Sharma, Rakesh} } @article { ISI:000309490600021, title = {Genome sequence of the alkaliphilic bacterium nitritalea halalkaliphila type strain LW7, isolated from Lonar Lake, India}, journal = {Journal of Bacteriology}, volume = {194}, number = {20}, year = {2012}, month = {OCT}, pages = {5688-5689}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {
An alkaliphilic bacterium, Nitritalea halalkaliphila LW7, which belongs to the family Cyclobacteriacae in the phylum Bacteroidetes, was isolated from Lonar Lake in Maharastra, India. Here we announce the draft genome sequence of the type strain LW7, which contains 3,633,701 bp with a G+C content of 48.58\%.
}, issn = {0021-9193}, doi = {10.1128/JB.01302-12}, author = {Jangir, Pramod Kumar and Singh, Ajit and Shivaji, S. and Sharma, Rakesh} } @article { ISI:000295666100008, title = {Geographic variation in the flavour volatiles of alphonso mango}, journal = {Food Chemistry}, volume = {130}, number = {1}, year = {2012}, month = {JAN}, pages = {58-66}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Alphonso, one of the most popular cultivars of mango in India is known to exhibit geographic variation in the flavour of ripe fruits. To get chemical insight into this difference, volatiles were studied in the ripening fruits of Alphonso mangoes from three cultivation locations in India. Ripe fruits from Deogad had lower content of mono- and sesquiterpenes and higher content of lactones and furanones as compared to the fruits from Dapoli: whereas fruits from Vengurle had average quantities of these chemicals in comparison with Deogad and Dapoli fruits. This variation was clearly reflected as separate clustering of the localities in the Principal Component Analysis. The localities were indistinguishable from each other in terms of raw fruit volatiles. This study exemplifies a case of phenotypic plasticity; since the plants chosen were clonally propagated, such geographic variation in the volatiles can be attributed to varied abiotic conditions at these three localities. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Mango, Phenotypic plasticity, Ripening, Volatiles}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2011.06.053}, author = {Kulkarni, Ram S. and Chidley, Hemangi G. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article { ISI:000302664900061, title = {Glycolic acid-g-chitosan-gold nanoflower nanocomposite scaffolds for drug delivery and tissue engineering}, journal = {International Journal of Biological Macromolecules}, volume = {50}, number = {3}, year = {2012}, month = {APR}, pages = {878-883}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
This paper reports a simple novel method for the synthesis of flower like gold nanoparticle (three dimensional branched nanoparticle) with \>30 tips, under controlled temperature condition. Formation of flower like Au nanoparticle was confirmed by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Next step of this paper reveals the potential use of novel hybrids of chitosan-g-glycolic acid and gold nanoflower (AuNF) in controlled drug delivery and tissue engineering applications. The drug loaded novel nanohybrid scaffold is prepared by freeze drying of grafted polymer solution. Grafting of glycolic acid to the chitosan and incorporation of drug were evaluated by Fourier transform infrared spectroscopy (FTIR). The nanohybrid scaffolds were found to be stable towards the pH of the medium. The cell viability study shows that prepared nanohybrid scaffolds are biocompatible. Gold nanoflowers were found to control the drug release rate in the buffer solution (pH 7.4). Therefore, for the glycolic acid grafted chitosan based system, gold nanoflowers are the viable additive for drug delivery. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Chitosan, Drug delivery system, Glycolic acid grafting, Gold nanoflower, Nanocomposite}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2011.10.014}, author = {Kumari, Sangeeta and Singh, Raj Pal} } @article { ISI:000306038600011, title = {Glycolic acid-g-chitosan-Pt-Fe3O4 nanoparticles nanohybrid scaffold for tissue engineering and drug delivery}, journal = {International Journal of Biological Macromolecules}, volume = {51}, number = {1-2}, year = {2012}, month = {JUL}, pages = {76-82}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
This work presents the potential use of novel nanohybrid based on chitosan-g-glycolic acid and Pt-Fe3O4 composite nanoparticles in drug delivery and tissue engineering applications. The Pt-Fe3O4 hybrid nanoparticles are prepared by thermal decomposition of H2PtCl6 center dot 6H(2)O at high temperature. The prepared nanoparticles were characterized by transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and physical property measurement system (PPMS). Next step of this paper reveals the potential use of novel hybrids of chitosan-g-glycolic acid and Pt-Fe3O4 hybrid nanoparticles in controlled drug delivery applications. The drug loaded nanohybrid scaffold is prepared by freeze drying of grafted polymer solution. Drug loading and grafting of chitosan was characterized by Fourier transform infrared spectroscopy (FTIR). The cell proliferation also shows that the prepared nanohybrids are biocompatible. The nanohybrid was found to be stable regardless of pH of the medium. Therefore, Pt-Fe3O4 hybrid nanoparticles are viable additive for sustained drug delivery and it could be applied in the field of biomedical. (c) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Cell viability, Chitosan, drug delivery, Glycolic acid grafting, Pt-Fe3O4 hybrid nanoparticle}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2012.01.040}, author = {Kumari, Sangeeta and Singh, Raj Pal} } @article { ISI:000312472000040, title = {Gold nanoparticle embedded hydrogel matrices as catalysts: better dispersibility of nanoparticles in the gel matrix upon addition of N-bromosuccinimide leading to increased catalytic efficiency}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {414}, year = {2012}, month = {NOV}, pages = {296-301}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple and convenient method for generating and immobilizing gold NPs into polyethylene glycol-polyurethane (PEGPU) matrices is presented. The gold NP immobilized PEGPU (Au NP-PEGPU) hydrogel matrices are easy to handle and can be used as catalysts. The efficiency, reusability and durability of the Au NP-PEGPU catalyst matrices were investigated using the reduction of 4-nitroaniline (4NA) to p-phenylenediamine (p-PDA) by sodium borohydride in the presence of the catalyst as a test reaction. The Au NPs in the PEGPU matrix got aggregated after 3 cycles of catalysis but dispersion could be regenerated by the addition of N-bromosuccinimide (NBS). After this regeneration process the Au NPs-PEGPU matrix showed excellent efficiency without any aggregation, leaching or degradation. The reusability of the catalyst for 28 cycles yielding a total turnover number of 3220 and turn over frequency of 0.152 s(-1) is demonstrated. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {catalysis, hydrogels, Immobilization, Nanoparticles, Turn over numbers}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2012.08.026}, author = {Ramtenki, Vilas and Anumon, V. D. and Badiger, Manohar V. and Bhagavatula L. V. Prasad} } @article { ISI:000310934400028, title = {Graphene enriched with pyrrolic coordination of the doped nitrogen as an efficient metal-free electrocatalyst for oxygen reduction}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {44}, year = {2012}, month = {NOV}, pages = {23506-23513}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report an efficient template-free synthetic route for the preparation of mesoporous nitrogen-doped graphene (NGE) containing a high weight percentage of pyrrolic nitrogen, good specific surface area and comparable electrochemical oxygen reduction activity as that of the state-of-the-art 40 wt\% Pt/C catalyst. The desired coordination of nitrogen in the carbon framework of graphene has been conceived by a mutually assisted redox reaction between graphene oxide (GO) and pyrrole, followed by thermal treatment at elevated temperatures. NGE exhibits a high surface area of 528 m(2) g(-1) and a pore diameter of similar to 3 to 7 nm. The heat treatment temperature plays a pivotal role in establishing the desired pyrrolic coordination of nitrogen in graphene for the electrochemical oxygen reduction reaction. The NGE sample obtained after heat treatment at 1000 degrees C (NGE-1000) has 53\% pyrrolic nitrogen content compared to the similar samples prepared by treating at low temperatures. Most importantly, NGE-1000 has displayed a significantly low overpotential for oxygen reduction with the onset potential very closely matching that of the commercial 40 wt\% Pt/C. It is noteworthy that the reaction involves the desired 4 electron transfer as observed in the case of the Pt based electrocatalysts, leading to a significantly high kinetic current density of 6 mA cm(-2) at -0.2 V. Moreover, the fuel tolerance and durability under the electrochemical environment of the NGE catalyst is found to be superior to the Pt/C catalyst.
}, issn = {0959-9428}, doi = {10.1039/c2jm35547g}, author = {Unni, SreeKuttan M. and Devulapally, Saikrishna and Karjule, Neeta and Kurungot, Sreekumar} } @article { ISI:000300606400030, title = {Green approach towards size controlled synthesis of biocompatible antibacterial metal nanoparticles in aqueous phase using lysozyme}, journal = {Current Nanoscience}, volume = {8}, number = {1}, year = {2012}, month = {FEB}, pages = {130-140}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Inspired by array of proteins present in nature, we choose lysozyme (hen egg protein) as a model system to synthesize nanoparticles of noble metals to understand the mechanism of interaction as well as to use them for potential applications such as potent antibacterial agents. Lysozyme is a very well studied biomolecule containing aromatic amino acids like tryptophan and tyrosine. Tyrosine has phenoxy group which is considered to be responsible for interacting with the metal ions. Lysozyme can be suitably modified by treatment with N-bromosuccinimide/N-acetylimidazole to obtain tight control over size distribution of nanoparticles. Here we report the direct synthesis of nanocrystals of gold and silver at controlled pH and light conditions without using any known reducing agents. Out of these, synthesis of gold nanoparticles is assisted by the presence of low concentration of Ag+ ions through the galvanic exchange. It is remarkable to note that the structure of protein is not changed drastically as seen by the FTIR studies. As-synthesized lysozyme capped nanoparticles prepared by this method are biocompatible and retain antibacterial property.
}, keywords = {Antibacterial, Biocompatible, Gold, lysozyme, Nanoparticles, Silver}, issn = {1573-4137}, author = {Kumar, Umesh and Ranjan, Amaresh K. and Sharan, Chandrashekhar and Hardikar, Anandwardhan A. and Pundle, Archana and Poddar, Pankaj} } @article { ISI:000303178600058, title = {Green synthesis of TiO2 nanoparticles by using aqueous extract of Jatropha curcas L. latex}, journal = {Materials Letters}, volume = {75}, year = {2012}, month = {MAY}, pages = {196-199}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Present study deals with a green synthesis of TiO2 nanoparticles by using 0.3\% aqueous extract prepared from latex of Jatropha curcas L. TiO2 nanoparticles were characterized by X-ray diffraction (XRD), Selected Area Electron Diffraction (SAED), Transmission Electron Microscopy (TEM), Energy Dispersive Analysis of X-rays (EDAX) and Fourier Transform Infrared Spectroscopy (FTIR). Fourier Transform Infrared Spectroscopy (FTIR) were performed to find the role of curcain (enzyme), cyclic peptides namely curcacycline A (an octapeptide) and curcacycline B (a nonapeptide) as a possible reducing and capping agents, present in the latex of J. curcas L. The average size of TiO2 nanoparticles was found to be in the range of 25 to 100 nm. Our result shows that there are two broad categories of nanoparticles, first having diameter from 25 to 50 nm which are mostly spherical in shape and second having some larger and uneven shapes. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Biomaterials, Electron microscopy, Fourier Transform Infrared Spectroscopy (FTIR), Nanostructures}, issn = {0167-577X}, doi = {10.1016/j.matlet.2012.02.018}, author = {Hudlikar, Manish and Joglekar, Shriram and Dhaygude, Mayur and Kodam, Kisan M.} } @article { ISI:000302810800004, title = {Green synthetic route to antimalarial and antibacterial agent CJ-15,801 and its isomer cis-CJ-15,801}, journal = {RSC Advances}, volume = {2}, number = {9}, year = {2012}, month = {MAR}, pages = {3596-3598}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An efficient and rapid synthesis of antiplasmodial and antibacterial agent CJ-15,801 and its isomer cis-CJ-15,801 is disclosed. We have made an attempt towards {\textquoteleft}{\textquoteleft}Ideal Synthesis{\textquoteright}{\textquoteright} or a step towards {\textquoteleft}{\textquoteleft}Dial-a-Molecule{\textquoteright}{\textquoteright} by reducing the number of steps, following atom economy, and a green synthetic route.
}, issn = {2046-2069}, doi = {10.1039/c2ra01051h}, author = {Kashinath, K. and Swaroop, Pandrangi Siva and Reddy, D. Srinivasa} } @article { ISI:000307300900016, title = {Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding}, journal = {Chemical Communications}, volume = {48}, number = {71}, year = {2012}, month = {JUL}, pages = {8922-8924}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This communication describes a set of hybrid foldamers that do not feature inter-residual, but intra-residual backbone hydrogen-bonding, yet adopt a preferentially folded conformation displaying right-handed helical architecture. Conformational ordering is apparently due to the combined conformational restrictions imposed by the conformationally restricted individual amino acid residues with which the oligomers are made of.
}, issn = {1359-7345}, doi = {10.1039/c2cc33235c}, author = {Priya, Gowri and Kotmale, Amol S. and Gawade, Rupesh L. and Mishra, Deepti and Pal, Sourav and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000308896400057, title = {Heterocyclic tri-urea isocyanurate bridged groups modified periodic mesoporous organosilica synthesized for Fe(III) adsorption}, journal = {Journal of Solid State Chemistry}, volume = {194}, year = {2012}, month = {OCT}, pages = {392-399}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
To achieve a high level of heavy metal adsorption, 1,1{\textquoteright},1 {\textquoteleft}{\textquoteright}-(1,3,5-triazine-2,4,6-triyl)tris(3-(3-(triethoxysilyl) propyl)urea) (TTPU) was synthesized as a novel melamine precursor and incorporated on the silica surface of periodic mesoporous organosilica (PMO). The melamine modified PMOs (MPMOs) were synthesized under acidic conditions using TTPU, tetraethylorthosilicate (TEOS) and Pluronic P123 as a template and the modified PMOs were characterized using the relevant instrumental techniques. The characteristic materials were used as adsorbents for the adsorption of Fe(III) ions. Fe(III) adsorption studies revealed MPMO-7.5 to be a good absorbent with higher adsorption efficiency than other MPMOs. (C) 2012 Elsevier Inc. All rights reserved.
}, keywords = {Adsorption efficiency, Fe(III) adsorption, Melamine, Periodic mesoporous organosilica (PMO)}, issn = {0022-4596}, doi = {10.1016/j.jssc.2012.05.019}, author = {Rana, Vijay Kumar and Selvaraj, M. and Parambadath, Surendran and Chu, Sang-Wook and Park, Sung Soo and Mishra, Satyendra and Singh, Raj Pal and Ha, Chang-Sik} } @article { ISI:000308263100040, title = {High magnetostriction and coupling coefficient for sintered cobalt ferrite derived from superparamagnetic nanoparticles}, journal = {Applied Physics Letters}, volume = {101}, number = {7}, year = {2012}, month = {AUG}, pages = {072405}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
High magnetostriction (lambda) and coupling coefficient (d lambda/dH) of 315 ppm and 1.97 x 10(-9) A(-1) m, respectively, are obtained at room temperature for sintered cobalt ferrite derived from nanocrystalline powders. Also, the powder was compacted at a low pressure of 8 MPa and sintered for a short duration of 10 min at 1450 degrees C. Magnetic annealing at 300 degrees C in a field of 0.5 T for 30 min further enhanced the magnetostriction coefficient to 345 ppm with a higher coupling coefficient 2.12 x 10(-9) A(-1)m. The magnetic field above which maximum magnetostriction is observed is reduced by almost half after magnetic annealing. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4745922]
}, issn = {0003-6951}, doi = {10.1063/1.4745922}, author = {Mohaideen, Kamal Khaja and Joy, Pattayil Alias} } @article { ISI:000307351500021, title = {High viscosity of ionic liquids causes rate retardation of Diels-Alder reactions}, journal = {Science China-Chemistry}, volume = {55}, number = {8, SI}, year = {2012}, month = {AUG}, pages = {1633-1637}, publisher = {SCIENCE PRESS}, address = {16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA}, abstract = {
Second order rate constants, k (2) have been determined for three bi-molecular Diels-Alder reactions to demonstrate that the high viscosity of ionic liquids can be a detrimental property in carrying out Diels-Alder reactions, if ionic liquids are employed as solvent media. It is possible to enhance the reaction rates of the reaction if a co-solvent is mixed in pure ionic liquid used as a solvent.
}, keywords = {Diels-Alder reactions, ionic liquids, kinetics, viscosity}, issn = {1674-7291}, doi = {10.1007/s11426-012-4684-9}, author = {Kumar, Anil and Pawar, Sanjay S.} } @article { ISI:000308778100017, title = {Highly diastereoselective total synthesis of (+/-)-heritonin and (+/-)-heritol}, journal = {Tetrahedron}, volume = {68}, number = {40}, year = {2012}, month = {OCT}, pages = {8509-8514}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A highly diastereoselective synthesis of heritol and heritonin by intramolecular cyclization on a preformed sensitive butenolide functionality is described. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Butenolide, cyclization, Dihydroxylation, Friedel-Crafts acylation, Tetralone}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.07.020}, author = {Chavan, Subhash P. and Garai, Sumanta and Kalkote, Uttam R.} } @article { ISI:000303362900001, title = {Highly efficient (R-X-R)-type carbamates as molecular transporters for cellular delivery}, journal = {Journal of the American Chemical Society}, volume = {134}, number = {17}, year = {2012}, month = {MAY}, pages = {7196-7199}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The (R-X-R) motif-containing arginine-rich peptides are among the most effective cell-penetrating peptides. The replacement of amide linkages in the (R-X-R) motif by carbamate linkages as in (r-ahx-r)(4) or (r-ahx-r-r-apr-r)(2) increases the efficacy of such oligomers several-fold. Internalization of these oligomers in mammalian cell lines occurs by an energy-independent process. These oligomers show efficient delivery of biologically active plasmid DNA into CHO-K1 cells.
}, issn = {0002-7863}, doi = {10.1021/ja210026m}, author = {Patil, Kiran M. and Naik, Rangeetha J. and Rajpal and Fernandes, Moneesha and Ganguli, Munia and Kumar, Vaijayanti A.} } @article {42514, title = {Highly selective and dual responsive test paper sensor of Hg2+/ Cr3+ for naked eye detection in neutral water}, journal = {RSC Advances}, volume = {2}, year = {2012}, month = {MAR}, pages = {3714-3721}, abstract = {
A highly selective and sensitive colorimetric and fluorogenic sensor (L1) for Hg2+/Cr3+ is reported. This reagent (L1) was synthesized by reacting 4-((4 (dimethylamino)phenyl)diazenyl)benzene-1-sulfonyl chloride, which has a dimethylaminophenyldiazenyl fragment as a photoactive signalling unit, with 2,2'-(3,3'-azanediylbis(propane-3,1-diyl))diisoindoline-1,3-dione as the receptor fragment. The reagent was characterized by standard analytical and spectroscopic techniques. Electronic spectral studies revealed that the reagent was selective for Hg2+ and Cr3+ in the presence of all other metal ions of Group 1A, IIA and all other common transition metal ions. On binding of L1 to the Hg2+ or Cr3+ centres, a new intense absorption band with a λmax of 509 nm appeared with associated changes in the visually detectable solution colour from yellow to red. Fluorescence spectral studies revealed a significant enhancement in the emission intensities upon coordination to Hg2+ or Cr3+ without any change in the emission wavelength. This could be explained by the efficient interruption of the photo induced electron transfer signalling mechanism involving an unshared pair of electrons from the central tertiary amine centre. An easy to prepare paper test kit, which was obtained by soaking the filter paper in a dichloromethane solution of L1, presents an approach that could be successfully used in the detection of Hg2+ or Cr3+ ions present in neutral aqueous media. This indicates the potential application of this dip strip type sensor for the detection of Hg2+ and Cr3+ in neutral aqueous environments without any spectroscopic instrumentation. Importantly, this reagent binds specifically to Cr3+ in the presence of an excess of iodide ions, which act as a masking agent for Hg2+. To the best of our knowledge, there are very few examples of detection limits lower than the present test strip for Hg2+ in the literature, while, for Cr3+, no such report is available.
}, doi = {10.1039/C2RA00788F}, author = {Das, Priyadip and Ghosh, Amrita and Bhatt, Hitesh and Das, Amitava} } @article { ISI:000308046400038, title = {Hybrid molecules of carvacrol and benzoyl urea/thiourea with potential applications in agriculture and medicine}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {22}, number = {17}, year = {2012}, month = {SEP}, pages = {5550-5554}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Benzoyl phenyl urea, a class of insect growth regulator{\textquoteright}s acts by inhibiting chitin synthesis. Carvacrol, a naturally occurring monoterpenoid is an effective antifungal agent. We have structurally modified carvacrol (2-methyl-5-[1-methylethyl] phenol) by introducing benzoylphenyl urea linkage. Two series of benzoylcarvacryl thiourea (BCTU, 4a-f) and benzoylcarvacryl urea (BCU, 5a-f) derivatives were prepared and characterized by elemental analysis, IR, H-1 and C-13 NMR and Mass spectroscopy. Derivatives 4b, 4d, 4e, 4f and 5d, 5f showed comparable insecticidal activity with the standard BPU lufenuron against Dysdercus koenigii. BCTU derivatives 4c, 4e and BCU 5c showed good antifungal activity against phytopathogenic fungi viz. Magnaporthe grisae, Fusarium oxysporum, Dreschlera oryzae; food spoilage yeasts viz. Debaromyces hansenii, Pichia membranifaciens; and human pathogens viz. Candida albicans and Cryptococcus neoformans. Compounds 5d, 5e and 5f showed potent activity against human pathogens. Moderate and selective activity was observed for other compounds. All the synthesized compounds were non-haemolytic. These compounds have potential application in agriculture and medicine. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Antifungal agents, Benzoyl carvacryl urea, Benzoyl phenyl urea, Crop protection agents, Insect growth regulators}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2012.07.017}, author = {Pete, Umesh D. and Zade, Chetan M. and Bhosale, Jitendra D. and Tupe, Santosh G. and Chaudhary, Preeti M. and Dikundwar, Amol G. and Bendre, Ratnamala S.} } @article { ISI:000312434600010, title = {Hydrodynamics of liquid-liquid dispersion in an advanced-flow reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {50}, year = {2012}, month = {DEC}, pages = {16251-16262}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Hydrodynamics and mass transfer of immiscible liquid-liquid flows are explored in an Advanced-Flow Reactor (AFR). These systems are emerging as one of the major commercial systems for small scale continuous flow chemistry, and characterization of the transport phenomena is critical for reaction implementation. With hexane/water as a model system, we use flow visualization techniques to determine drop size distribution, hexane holdup, and specific interfacial areas for a phase flow rate range of 10-80 mL/min. The complex geometry of the AFR with its continuously changing cross section along the flow path and strategically placed obstacles creates pressure changes that cause drop breakup and enhance mass transfer. Observations show that a wide range of average drop size (0.33-1.3 mm) can be achieved in the AFR depending upon the inlet flow rates and inlet composition. Pressure drop measurements are performed to estimate the power consumption and are used to compare the efficiency of AFR with conventional liquid-liquid contactors. The analysis shows that, similar to microreactors, the AFR can provide specific interfacial areas (1000-10 000 m(-1)) and overall mass transfer coefficients (1.9-41 s(-1)) a few orders of magnitude larger than conventional stirred tank reactors and also the static mixers.
}, issn = {0888-5885}, doi = {10.1021/ie301821k}, author = {Nieves-Remacha, Maria Jose and Kulkarni, Amol A. and Jensen, Klavs F.} } @article { ISI:000299292600030, title = {Hydrous RuO2-carbon nanofiber electrodes with high mass and electrode-specific capacitance for efficient energy storage}, journal = {Nanoscale}, volume = {4}, number = {3}, year = {2012}, month = {DEC}, pages = {890-896}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We demonstrate a new strategy for the fabrication of supercapacitor electrodes possessing high mass and area-specific capacitance for efficient charge storage, which can be extremely useful for the development of light, compact and high performance supercapacitors for a variety of high power demanding applications. High mass and electrode area specific capacitances were attained by using Hydrous Ruthenium Oxide (HRO)-Carbon Nanofiber (CNF) hybrid electrodes prepared by the deposition of HRO (similar to 31\% Ru content) on both the outer and inner surfaces of a cylindrical hollow CNF having open tips. Electrochemical studies of the uniformly deposited HRO nanoparticles on the CNF surface showed a mass specific capacitance of 645 F g(-1) and an electrode specific capacitance of 1.29 F cm(-2) with a HRO-CNF material loading of 2 mg cm(-2) in the supercapacitor electrodes. The mass specific capacitance of pure HRO is 301 F g(-1), whereas the mass specific capacitance of HRO in the HRO-CNF electrode is similar to 1300 F g(-1), which is very close to the theoretical capacitance of HRO. This enhanced charge storage ability, high rate capability, better cyclic stability and low ESR of the HRO-CNF will be useful for the development of high performance supercapacitors.
}, issn = {2040-3364}, doi = {10.1039/c2nr11479h}, author = {Vellacheri, Ranjith and Pillai, Vijayamohanan K. and Kurungot, Sreekumar} } @article { ISI:000310482800011, title = {Identification of cholesterol binding sites in the serotonin(1A) receptor}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {43}, year = {2012}, month = {NOV}, pages = {12991-12996}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The serotonin(1A) receptor is a representative member of the G protein-coupled receptor (GPCR) superfamily and serves as an important drug target in the development of therapeutic agents for neuropsychiatric disorders. Previous work has shown the requirement of membrane cholesterol in the organization, dynamics, and function of the serotonin(1A) receptor. We show here that membrane cholesterol binds preferentially to certain sites on the serotonin(1A) receptor by performing multiple, long time scale MARTINI coarse-grain molecular dynamics simulations. Interestingly, our results identify the highly conserved cholesterol recognition/interaction amino acid consensus (CRAC) motif on transmembrane helix V as one of the sites with high cholesterol occupancy, thereby confirming its role as a putative cholesterol binding motif. These results represent the first direct evidence for membrane cholesterol binding to specific sites on the serotonin(1A) receptor and represent an important step in our overall understanding of GPCR function in health and disease.
}, issn = {1520-6106}, doi = {10.1021/jp309888u}, author = {Sengupta, Durba and Chattopadhyay, Amitabha} } @article { ISI:000308878400007, title = {Immobilization of enantioselective lipase on soluble supports for kinetic resolution of drug intermediates}, journal = {Journal of Bioactive and Compatible Polymers}, volume = {27}, number = {5}, year = {2012}, month = {SEP}, pages = {499-509}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {
The microbial lipase, Arthrobacter sp. lipase (MTCC 5125), from the Indian Institute of Integrative Medicine repository, is known as an effective catalyst for high enantioselective kinetic resolution of drug intermediates. The ABL was immobilized on water-soluble linear supports by covalently binding it to the epoxy groups on the N-vinyl pyrrolidone/allyl glycidyl ether and N-vinyl pyrrolidone/glycidyl methacrylate copolymers. The immobilized lipase, on different soluble supports, had 90-110 mg/g protein binding and 500-700 U/g hydrolysis activities for tributyrin substrate. These copolymers had soluble/insoluble characteristics in different pH ranges, which is an advantage over insoluble copolymers. A soluble polymer at neutral pH provided better accessibility to the immobilized enzyme, which was recovered by precipitation at pH 2-3 for reuse. Kinetic resolution of racemic acyl derivatives of chiral auxiliaries and drug intermediates, namely, phenyl ethanol, aminoalcohol, and fluoxetine intermediate resulted in a significant enhancement in enantioselectivity (99\%).
}, keywords = {Arthrobacter sp lipase, Enantioselectivity, Immobilization, Kinetic resolution, N-vinylpyrrolidone, soluble polymer}, issn = {0883-9115}, doi = {10.1177/0883911512453638}, author = {Chaubey, Asha and Parshad, Rajinder and Taneja, Subhash C. and Deokar, Sarika Babasaheb and Raman, Rajan C. and Ponrathnam, Surendra} } @article { ISI:000311832900049, title = {Improved inhibition of telomerase by short twisted intercalating nucleic acids under molecular crowding conditions}, journal = {Nucleic Acid Therapeutics}, volume = {22}, number = {6}, year = {2012}, month = {DEC}, pages = {399-404}, publisher = {MARY ANN LIEBERT INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {
Human telomeric DNA has the ability to fold into a 4-stranded G-quadruplex structure. Several G-quadruplex ligands are known to stabilize the structure and thereby inhibit telomerase activity. Such ligands have demonstrated efficient telomerase inhibition in dilute conditions, but under molecular crowding conditions mimicking physiological milieu, stabilization of the telomeric G-quadruplex is often lost. We attempted to demonstrate the enhanced G-quadruplex stabilizing ability under molecular conditions by using twisted intercalating nucleic acids (TINA)-modified oligonucleotides. We have shown using circular dichroism and ultraviolet spectroscopic methods that these TINA-modified short oligonucleotides function as G-quadruplex, inducing agents and participate in the formation of stabilized 3:1 G-quadruplex with the human telomeric oligonucleotide. Using enzyme-linked immunosorbent assay-based telomerase repeat amplification assay (TRAP) assay as well as nondenaturing polyacrylamide gel electrophoresis-based TRAP, we demonstrate remarkable enhancement in their anti-telomerase activity even under molecular crowding conditions. This is the first time in which a G-quadruplex stabilizing agent has demonstrated enhanced activity even under molecular crowding conditions.
}, issn = {2159-3337}, doi = {10.1089/nat.2012.0372}, author = {Agarwal, Tani and Pradhan, Devranjan and Geci, Imrich and El-Madani, Amro M. and Petersen, Michael and Pedersen, Erik B. and Maiti, Souvik} } @article { ISI:000300782600014, title = {In situ electrochemical organization of CdSe nanoclusters on graphene during unzipping of carbon nanotubes}, journal = {Chemical Communications}, volume = {48}, number = {25}, year = {2012}, month = {FEB}, pages = {3088-3090}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In situ decoration of very small CdSe quantum dots on graphene nanoribbons (GNRs) has been achieved during the electrochemical unzipping of single walled carbon nanotubes. Critical parameters like the width of the GNRs, size distribution of quantum dots and their organization on GNRs have been shown to be strongly dependent on the electric field and time.
}, issn = {1359-7345}, doi = {10.1039/c2cc17749h}, author = {Debgupta, Joyashish and Shinde, Dhanraj B. and Pillai, Vijayamohanan K.} } @article { ISI:000302893400028, title = {In situ encapsulation of ultra small ceria nanoparticles stable at high temperatures in the channels of mesoporous silica}, journal = {Microporous and Mesoporous Materials}, volume = {155}, year = {2012}, month = {JUN}, pages = {215-219}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Ultra small ceria nanoparticles of sizes \<2 nm stable at 500 degrees C are encapsulated in the channels of mesoporous silica by employing a novel method of synthesis. The method involves modifying non-ionic polymer templates with ionic surfactants to enhance anchoring of metal ion precursors. In this way, further silica wall formation around the template ensures isolation of the nanoparticles exclusively within the channels after template removal by heat treatment. Further understanding of the interaction of the composite template system and cerium precursor is gained by cyclic voltammetric studies. (C) 2012 Elsevier Inc. All rights reserved.
}, keywords = {ceria, Encapsulation, Mesoporous silica, Template synthesis}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2012.02.006}, author = {Ghosh, Sumona and Jijil, Chamundi P. and Devi, R. Nandini} } @article { ISI:000312157100027, title = {In situ pH maintenance for mammalian cell cultures in shake flasks and tissue culture flasks}, journal = {Biotechnology Progress}, volume = {28}, number = {6}, year = {2012}, month = {NOV}, pages = {1605-1610}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
pH in animal cell cultures decreases due to production of metabolites like lactate. pH control via measurement and base addition is not easily possible in small-scale culture formats like tissue-culture flasks and shake flasks. A hydrogel-based system is reported for in situ pH maintenance without pH measurement in such formats, and is demonstrated to maintain pH between 6.8 and 7.2 for a suspension CHO cell line in CD CHO medium and between 7.3 and 7.5 for adherent A549 cells in DMEM:F12 containing 10\% FBS. This system for pH maintenance, along with our previous report of hydrogels for controlled nutrient delivery in shake flasks can allow shake flasks to better mimic bioreactor-based fed batch operation for initial screening during cell line and process development for recombinant protein production in mammalian cells. (C) 2012 American Institute of Chemical Engineers Biotechnol. Prog., 2012
}, keywords = {high throughput screening, pH control for cell culture, pH control in shake flask, pH control in tissue culture flasks, small scale platforms for cell culture}, issn = {8756-7938}, doi = {10.1002/btpr.1614}, author = {Pradhan, Ketaki and Pant, Tejal and Gadgil, Mugdha} } @article { ISI:000303281200026, title = {In vitro enzyme mediated synthesis of metal sulfide nanoparticles: control of particle size of CdS, Ni7S6, PbS, Co3S4 nanoparticles using synthetic peptides}, journal = {Science of Advanced Materials}, volume = {4}, number = {1}, year = {2012}, month = {JAN}, pages = {179-186}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
We report the use of enzyme sulfite reductase for the in vitro synthesis of technologically important metal sulfide quantum dots viz. Co3S4, PbS and Ni7S6. Also we report the use of synthetic peptides to control the particle size of the above metal sulfide quantum dots in addition to CdS, synthesized using enzyme. Sulfite reductase when incubated with aqueous CdCl2, or Co(NO3)(3) or NiCl2 or Pb(NO3)(2), and Na2SO3 in the presence of the appropriate capping peptide resulted in the synthesis of particle size controlled CdS, Co3S4, Ni7S6, or PbS quantum dots respectively. These, enzyme mediated synthesized and size controlled metal sulfide quantum dots, were characterized using Absorbance and photoluminescence spectrometry, X-ray diffraction, X-ray photoelectron spectroscopy and High resolution-transmission electron microscopy.
}, keywords = {Capping Peptide, Enzyme, Metal Sulfide Nanoparticles, quantum dots, Size Control, Sulfite Reductase}, issn = {1947-2935}, doi = {10.1166/sam.2012.1270}, author = {Ansary, Abu Ayoobul and Khan, Muhammed I. and Gaikwad, Sushama M.} } @article { ISI:000303055200006, title = {In vitro morphogenic response in cotyledon explants of semecarpus anacardium L.}, journal = {Plant Biotechnology Reports}, volume = {6}, number = {2}, year = {2012}, month = {APR}, pages = {141-148}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Three different morphogenic responses-caulogenesis, direct somatic embryogenesis, and callusing-were noted in cotyledon explants of Semecarpus anacardium L. cultured in woody plant medium (WPM) containing thidiazuron (TDZ). Thidiazuron, at all concentrations tested, induced organogenic as well as embryogenic responses. The organogenic buds differentiated to shoots and the embryogenic mass (EM) gave rise to globular embryos which differentiated up to cotyledon-stage embryos on repeated culture in growth regulator (GR)-free WPM medium containing 0.2\% activated charcoal after the removal of TDZ. The organogenic and embryogenic responses were optimal in 9.08 mu M TDZ after the removal of TDZ. Elongated shoots rooted in half-strength liquid WPM medium with 2.46 mu M indole butyric acid. Plants were successfully acclimatized and transferred to soil. Histological studies confirmed the direct origin of the organogenic buds from the cotyledon explants. The EMs produced somatic embryos on repeated culture in charcoal incorporated GR-free medium. Morphogenic callus formation from the cotyledon explants was also noted. This callus on repeated culture in WPM medium with charcoal differentiated into somatic embryos. Repetitive somatic embryogenesis was evident from direct and indirectly formed primary embryos. The somatic embryos did not convert into plantlets, though sporadic germination of embryos was observed through the emergence of roots.
}, keywords = {callus, Caulogenesis, Globular embryos, Growth regulator, Histology, somatic embryogenesis}, issn = {1863-5466}, doi = {10.1007/s11816-011-0207-y}, author = {Panda, Bhuban Mohan and Hazra, Sulekha} } @article { ISI:000306670200022, title = {InCl3-mediated addition of indole to isatogens: an expeditious synthesis of 13-deoxy-isatisine A}, journal = {Chemistry-A European Journal}, volume = {18}, number = {31}, year = {2012}, month = {JUL}, pages = {9601-9611}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A strategy directed towards the total synthesis of isatisine A that involves several late-stage metal-catalyzed transformations that address the key carboncarbon and carbonheteroatom bond formations has been developed. As a part of this strategy, methods for the addition of indoles to isatogens that lead selectively to either 2,2-disubstituted N-hydroxyindolin-3-one or 2,2-disubstituted indolin-3-one compounds have been developed by employing InCl3 as a catalyst or as the reagent. The present methods provide the first examples of the additions of indoles to the isatogen nucleus. To demonstrate its viability, the synthesis of 13-deoxy-isatisine A has been completed in ten steps from a known and easily available lactone.
}, keywords = {indium, indoles, isatogens, Natural products, Total synthesis}, issn = {0947-6539}, doi = {10.1002/chem.201103604}, author = {Kumar, Chepuri V. Suneel and Puranik, Vedavati G. and Ramana, Chepuri V.} } @article { ISI:000300931800001, title = {India{\textquoteright}s science for all academy}, journal = {Science}, volume = {335}, number = {6071}, year = {2012}, month = {FEB}, pages = {891}, publisher = {AMER ASSOC ADVANCEMENT SCIENCE}, address = {1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA}, issn = {0036-8075}, doi = {10.1126/science.1220166}, author = {Mashelkar, Raghunath Anant} } @article { ISI:000305852100053, title = {Influence of Pd-loading on gas sensing characteristics of SnO2 thick films}, journal = {Ceramics International}, volume = {38}, number = {6}, year = {2012}, month = {AUG}, pages = {4835-4844}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Nanocrystalline pristine and 0.5, 1.5 and 3.0 wt\% Pd loaded SnO2 were synthesized by a facile co-precipitation route. These powders were screen-printed on alumina substrates to form thick films to investigate their gas sensing properties. The crystal structure and morphology of different samples were characterized by using X-ray diffraction, scanning electron microscopy and transmission electron microscopy techniques. The 3.0 wt\% Pd:SnO2 showed response of 85\% toward 100 ppm of LPG at operating temperature of 250 degrees C with fast response (8 s) and quick recovery time (24 s). The high response toward LPG on Pd loading can be attributed to lowering of crystallite size (9 nm) as well as the role of Pd particles in exhibiting spill-over mechanism on the SnO2 surface. Also selectivity of 3.0 wt\% Pd:SnO2 toward LPG was confirmed by measuring its response to other reducing gases like acetone (CH3COCH3), ethanol (C2H5OH) and ammonia (NH3) at optimum operating temperature. (C) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {LPG sensor, Palladium, SnO2, Thick film}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2012.02.073}, author = {Bagal, L. K. and Patil, J. Y. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000310890600006, title = {Inheritance of resistance to root-lesion nematodes (Pratylenchus thornei and P. neglectus) in five doubled-haploid populations of wheat}, journal = {Euphytica}, volume = {188}, number = {2}, year = {2012}, month = {NOV}, pages = {209-219}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Nematode species Pratylenchus thornei and P. neglectus are the two most important root-lesion nematodes affecting wheat (Triticum aestivum L.) and other grain crops in Australia. For practical plant breeding, it will be valuable to know the mode of inheritance of resistance and whether the same set of genes confer resistance to both species. We evaluated reactions to P. thornei and P. neglectus of glasshouse-inoculated plants of five doubled-haploid populations derived from five resistant synthetic hexpaloid wheat lines, each crossed to the susceptible Australian wheat cultivar Janz. For each cross we determined genetic variance, heritability and minimum number of effective resistance genes for each nematode species. Distributions of nematode numbers for both species were continuous for all doubled-haploid populations. Heritabilities were high and the resistances were controlled by 4-7 genes. There was no genetic correlation between resistance to P. thornei and to P. neglectus in four of the populations and a significant but low correlation in one. Therefore, resistances to P. thornei and to P. neglectus are probably inherited quantitatively and independently in four of these synthetic hexaploid wheat populations, with the possibility of at least one genetic factor contributing to resistance to both species in one of the populations. Parents with the greatest level of resistance will be the best to use as donor parents to adapted cultivars, and selection of resistance to both species in early generations will be optimal to carry resistance through successive cycles of inbreeding to produce resistant cultivars for release.
}, keywords = {Aegilops tauschii, Disease resistance, Durum wheat, Germplasm development, Triticum aestivum, Wheat breeding}, issn = {0014-2336}, doi = {10.1007/s10681-012-0689-x}, author = {Thompson, John P. and Rebecca S. Zwart and Butler, David} } @article { ISI:000310401100058, title = {Inhibition of xyloglucanase from an alkalothermophilic thermomonospora sp by a peptidic aspartic protease inhibitor from Penicillium sp VM24}, journal = {Bioresource Technology}, volume = {123}, year = {2012}, month = {NOV}, pages = {390-399}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A bifunctional inhibitor from Penicilliurn sp VM24 causing inactivation of xyloglucanase from Thermomonospora sp and an aspartic protease from Aspergillus saitoi was identified. Steady state kinetics studies of xyloglucanase and the inhibitor revealed an irreversible, non-competitive, two-step inhibition mechanism with IC50 and K-i; values of 780 and 500 nM respectively. The interaction of o-phthalaldehyde (OPTA)-labeled xyloglucanase with the inhibitor revealed that the inhibitor binds to the active site of the enzyme. Far- and near-UV spectrophotometric analysis suggests that the conformational changes induced in xyloglucanase by the inhibitor may be due to irreversible denaturation of enzyme. The bifunctional inhibitor may have potential as a biocontrol agent for the protection of plants against phytopathogenic fungi. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Aspartic protease, Bifunctional inhibitor, Biocontrol agent, Inactivation mechanism, Xyloglucanase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2012.07.050}, author = {Menon, Vishnu and Rao, Mala} } @article {42519, title = {Interfacial and film formation behavior of photoactive Ru(ii)bipyridyl based metallosurfactants and a rare example of a monolayer based logic gate approach}, journal = {Chempluschem}, volume = {77}, year = {2012}, month = {DEC}, pages = {1096{\textendash}1105}, abstract = {
Three derivatives of tris(bipyridyl){\textendash}ruthenium(II) complexes with different alkyl-chain lengths (nC18H37 (1), nC14H29 (2) and nC10H21 (3)) were synthesised. All these complexes behaved as an amphiphile and their surface properties were studied at the air{\textendash}water interface by measuring surface pressure{\textendash}area (Π{\textendash}A) isotherms. The surface morphology of the resulting films at the air{\textendash}water interface was also studied by using Brewster angle microscopy. Mean molecular areas of these complexes were measured from the Π{\textendash}A isotherms, which were approximately 200 {\r A}2, thereby indicating a parallel arrangement of the Ru{\textendash}bipyridyl moiety of the complexes. Mono- and multilayer Langmuir{\textendash}Blodgett (LB) films were formed on different solid surfaces with transfer ratios close to one. Similarities in the absorption and fluorescence spectra of these amphiphiles in solution as well as in LB films deposited on a quartz surface confirmed the successful transfer of these films onto the substrates. The latter provided information about the arrangements of metallosurfactant molecules within the LB films. The two-dimensional concentrations of these films were calculated from the Lambert{\textendash}Beer law as well as from the Π{\textendash}A isotherm, which confirmed regular and reproducible transfer of the complex monolayers from the air{\textendash}water interface onto the quartz surface. The surface morphology of these films on various substrates was characterised by atomic force microscopy. Furthermore, by oxidising the monolayer of complex 3, a one-input sequential logic gate was constructed.
}, doi = {10.1002/cplu.201200207}, author = {Mahato, Prasenjit and Saha, Sukdeb and Choudhury, Sipra and Das, Amitava} } @article {42499, title = {Interrupted PET coupled TBET process for the design of a specific receptor for Hg2+ and its intracellular detection in MCF7 cells}, journal = {Chemical Communications}, volume = {48}, year = {2012}, month = {JUL}, pages = {9293-9295}, abstract = {
A new coumarin{\textendash}rhodamine conjugate constitutes a unique example of the interrupted PET coupled TBET response for developing an imaging reagent for determining the intracellular distribution of Hg2+ in MCF7 cells exposed to [Hg2+] as low as 2 ppb.
}, doi = {10.1039/C2CC34490D}, author = {Saha, Sukdeb and Mahato, Prasenjit and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000305767200035, title = {Intracellular synthesis of gold nanoparticles using alga tetraselmis kochinensis}, journal = {Materials Letters}, volume = {79}, year = {2012}, month = {JUL}, pages = {116-118}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The development of eco-friendly synthesis protocol for the synthesis of nanoscale materials of different compositions, shapes and sizes is an important area of research in the field of nanotechnology. In this paper, we report on the use of alga Tetraselmis kochinensis in the intracellular synthesis of gold nanoparticles of dimensions 5-35 nm. The particles are more concentrated upon the cell wall than on the cytoplasmic membrane, possibly due to reduction of the metal ions by enzymes present in the cell wall and cytoplasmic membrane. These intracellular nanoparticles may have applications in drug delivery, biomedical applications, catalysis, etc. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Algae, Biosynthesis, Nanoparticles, nanotechnology, Tetraselmis kochinensis}, issn = {0167-577X}, doi = {10.1016/j.matlet.2012.04.009}, author = {Senapati, Satyajyoti and Syed, Asad and Moeez, Sana and Kumar, Ashutosh and Ahmad, Absar} } @article { ISI:000300074300005, title = {Intramolecular selective hydrogenation of cinnamaldehyde over CeO2-ZrO2-supported Pt catalysts}, journal = {Journal of Catalysis}, volume = {285}, number = {1}, year = {2012}, month = {JAN}, pages = {31-40}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Selective liquid phase hydrogenation of cinnamaldehyde is reported, for the first time, over CeO2, ZrO2, and CeO2-ZrO2-supported Pt catalysts. Cinnamyl alcohol is the selective product. These catalysts are highly active and selective even at 25 degrees C and found to be superior to most of the hitherto known supported Pt catalysts. Alkali addition (NaOH) has enhanced the performance of these catalysts. At an optimized reaction condition, 95.8\% conversion of cinnamaldehyde and 93.4\% selectivity of cinnamyl alcohol have been obtained. Acidity of the support (due to the presence of ZrO2 component) and higher electron density at Pt (due to CeO2 component) are attributed to be responsible for the superior catalytic activity of Pt supported on CeO2-ZrO2 composite material. (C) 2011 Elsevier Inc. All rights reserved.
}, keywords = {alpha, beta-Unsaturated aldehyde, Ceria-zirconia, Cinnamaldehyde, Hydrogenation, Promotion by alkali ions, Supported Pt catalyst}, issn = {0021-9517}, doi = {10.1016/j.jcat.2011.09.006}, author = {Bhogeswararao, Seemala and Srinivas, D.} } @article { ISI:000311184500039, title = {Isophorone reactor: modelling and performance enhancement}, journal = {Chemical Engineering Journal}, volume = {207}, number = {SI}, year = {2012}, note = {22nd International Symposium on Chemical Reaction Engineering (ISCRE), Maastricht, NETHERLANDS, SEP 02-05, 2012}, month = {OCT}, pages = {349-367}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The production of isophorone in a reactive distillation column was modelled. Mass transfer and heat transfer accompanied by chemical reactions were incorporated in a dynamic non-equilibrium multistage model. A base case simulation was identified and established. The base case simulation showed the value of key performance indicator that is mass ratio of acetone consumed to isophorone produced as 1.54. The computational model was then used to understand and to evaluate influence of various key design and operating parameters on this key performance indicator. Influence of reactor volume, mass transfer coefficient and feed composition, location and temperature was evaluated. The simulated results indicate that the key performance indicator can be improved (reduce acetone consumed per isophorone produced) by manipulating acetone content in the feed and location of the feed. The presented results will be useful for realising performance enhancement of isophorone and other similar reactors. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Isophorone, Model, Performance enhancement, Reactive distillation}, issn = {1385-8947}, doi = {10.1016/j.cej.2012.06.137}, author = {Darda, Pranay J. and Ranade, Vivek V.} } @article { ISI:000309569200044, title = {Kernel morphometric traits in hexaploid wheat (Triticum aestivum L.) are modulated by intricate QTL x QTL and genotype x environment interactions}, journal = {Journal of Cereal Science}, volume = {56}, number = {2}, year = {2012}, month = {SEP}, pages = {432-439}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {
Wheat kernel size and shape influence its flour yield and market price. A hexaploid wheat population of 185 recombinant inbred lines was evaluated for five kernel morphometric traits namely, 1000-kernel weight, kernel length, width, length width ratio and factor form density in two diverse agro-climatic regions in India in five to eight year location combinations. Additive main effects and multiplicative interaction analysis revealed significant contributions from genotype (G) and genotype x environment (G x E) effects for these traits. Quantitative trait locus (QTL) analysis by composite interval mapping (CIM) was performed using a linkage map of 251 SSR markers and 59 QTLs distributed on 16 chromosomes were identified. The majority of the QTLs were located on the D genome (44.07\%) and the homeologous chromosomes of Group 2 (38.98\%). Stable QTLs detected in three or more year location combinations were identified for four traits. Multi-trait CIM showed 10 chromosomal regions harboring putative pleiotropic loci. Complexity in the genetic effects was further revealed by QTL analysis based on mixed-linear model that indicated 19 QTLs with significant individual effects (main-effect QTLs) and 14 QTL x QTL interactions. Five of these - nineteen main-effect QTLs and one of the fourteen QTL x QTL interactions showed environmental influence. (c) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Epistatic QTLs, Genotype x environment interactions, Kernel size and shape, Stable QTLs}, issn = {0733-5210}, doi = {10.1016/j.jcs.2012.05.010}, author = {Prashant, Ramya and Kadoo, Narendra Y. and Desale, Charushila and Kore, Prajakta and Dhaliwal, Harcharan Singh and Chhuneja, Parveen and Gupta, Vidya} } @article { ISI:000300999700014, title = {Kinetic analysis of 4-isopropylphenol hydrogenation over activated carbon-supported rhodium catalysts in supercritical carbon dioxide solvent}, journal = {Green Chemistry}, volume = {14}, number = {3}, year = {2012}, month = {Jan}, pages = {633-638}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Hydrogenation behavior of 4-isopropylphenol to 4-isopropylcyclohexanol over activated carbon-supported rhodium catalysts in supercritical carbon dioxide (scCO(2)) at 313 K was studied in a batch reactor and the results were compared with those in 2-propanol. Higher yields of cis-4-isopropylcyclohexanol were obtained in scCO(2) than in 2-propanol, and the formation of a byproduct, isopropylcyclohexane, was suppressed in scCO(2). The catalyst modification with hydrochloric or phosphoric acid enhanced the yield of cis-4-isopropylcyclohexanol in both scCO(2) and 2-propanol solvents. Kinetic analyses of the reaction profiles revealed higher reaction rates in scCO(2) than those in 2-propanol for the 4-isopropylcyclohexanol formation both by the direct hydrogenation of 4-isopropylphenol and by the consecutive hydrogenation of 4-isopropylcyclohexanone, and also revealed that the addition of hydrochloric acid increased the consecutive hydrogenation rate of 4-isopropylcyclohexanone to cis-4-isopropylcyclohexanol, which reduced the total reaction time needed for the complete hydrogenation of 4-isopropylphenol to 4-isopropylcyclohexanol.
}, issn = {1463-9262}, doi = {10.1039/c1gc16038a}, author = {Hiyoshi, Norihito and Sato, Osamu and Yamaguchi, Aritomo and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article {43378, title = {Kinetic modeling and optimization of operating parameters for transvinylation of lauric acid}, journal = {International Journal of Chemical Kinetics}, volume = {44}, year = {2012}, month = {SEP}, pages = {624-634}, abstract = {The transition metal complex catalyzed transvinylation of carboxylic acid with vinyl acetate monomer is of significant interest to industry. The palladium complex catalyzed transvinylation of lauric acid using vinyl acetate monomer is a reversible reaction. In present article, design of experiments (DOE) statistics is used to study effects of various operating parameters on transvinylation of lauric acid. The kinetic parameters forward and backward rate constants and the thermodynamic parameters such as equilibrium constant and energy of activation of the transvinylation of lauric acid were estimated using the Dynochem model. The optimum operating parameters for the transvinylation of lauric acid were then predicted using the Dynochem model and verified by performing the actual experiments to validate the model. It was found that the experimental results match with the predicted one. (c) 2012 Wiley Periodicals, Inc. Int J Chem Kinet 44: 624634, 2012}, doi = {10.1002/kin.20704}, author = {Kamble, Sanjay P. and Manjarekar, Onkar and Mawale, Ravi and Kulkarni, Bhaskar D. and Chowdary, Naresh and Gupte, Milind Y. and Barve, Prashant P.} } @article { ISI:000304338300004, title = {Kinetic studies of amino acid-based surfactant binding to DNA}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {20}, year = {2012}, month = {MAY}, pages = {5831-5837}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this work, the binding kinetics of amino acid-based surfactants, presenting different linkers and head groups, with calf thymus (CT)-DNA was studied using stopped-flow fluorescence spectroscopy. The kinetic studies were carried out as a function of Na+ concentration and surfactant-to-DNA charge ratio. The surfactant binding on DNA took place in two consecutive steps, for which the corresponding first and second relative rate constants (k(1) and k(2)) were determined. The fast step was attributed to the surfactant binding to DNA and micelle formation in its vicinity, the slower step to DNA condensation and possible rearrangement of the surfactant aggregates. In general, both relative rate constants increase with surfactant concentration and decrease with the ionic strength of the medium. The architecture of the surfactant was found to have a significant impact on the kinetics of the DNA surfactant complexation. Surfactants with amide linkers showed larger relative rate constants than those with ester linkers. The variation of the relative rate constants with the head groups of the surfactants, alanine and proline, was found to be less obvious, being partially dependent on the surfactant concentration.
}, issn = {1520-6106}, doi = {10.1021/jp301069t}, author = {Santhiya, Deenan and Dias, Rita S. and Dutta, Sounak and Das, Prasanta Kumar and Miguel, Maria G. and Lindman, Bjorn and Maiti, Souvik} } @article { ISI:000305033900088, title = {Kinetics of hydrogenation of lauric acid in a batch slurry reactor using Ru-Sn/TiO2 catalyst}, journal = {Asian Journal of Chemistry}, volume = {24}, number = {6}, year = {2012}, month = {JUN}, pages = {2767-2771}, publisher = {ASIAN JOURNAL OF CHEMISTRY}, address = {11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIA}, abstract = {
Ru-Sn catalyst was prepared in-house by impregnation method. This catalyst was found to be stable for four recycles. The rate of hydrogenation of lauric acid (LAC) using Ru-Sn/TiO2 catalyst was found to be linearly dependent on catalyst loading, lauric acid concentration old hydrogen partial pressure. The rate data obtained from kinetic study were fitted to simple rate equation based on Langmuir-Hinshelwood (L-H) type model. Based on kinetic data the hydrogenation of lauric acid over Ru-Sn/TiO2 catalyst is proposed to occur by I dual site mechanism the activation energy for hydrogenation of lauric acid to lauryl alcohol (LAOH) using Rii-Sn/TiO2 catalyst was found to be 77.2 kJ/mol.
}, keywords = {Hydrogenation, kinetics, Langmuir-Hinshelwood model, Ru-Sn/TiO2 catalyst}, issn = {0970-7077}, author = {Shinde, S. B. and Deshpande, R. M.} } @article { ISI:000306193700016, title = {Kinetics of the Heck reaction in biphasic organic-ethylene glycol medium}, journal = {Reaction Kinetics Mechanisms and Catalysis}, volume = {106}, number = {2}, year = {2012}, month = {AUG}, pages = {457-473}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
PdCl2(bipy) was found to be an efficient and stable catalyst in biphasic medium (organic-glycol) for the Heck reaction. The kinetics of the Heck coupling of styrene with iodobenzene using the same catalyst was studied in a biphasic medium in a temperature range of 393-413 K. The rate was found to have a first order dependence tending to a fractional order, on the iodobenzene as well as catalyst concentration. The rate was found to have a complex dependence on the styrene concentration and passes through a maximum, showing typical substrate inhibition kinetics. The rate had a first order dependence on the base (morpholine) concentration. The trends observed for the influence of the different parameters on the activity of the catalyst are in agreement with the established mechanism for Heck reaction. An empirical rate model has been proposed to fit the observed rate data. The activation energy was found to be 72.91 kJ/mol. This is the first time that kinetic modeling of Heck reaction in a biphasic medium (organic-glycol) has been attempted.
}, keywords = {Biphasic catalysis, Heck reaction, kinetics, PdCl2(bipy) complex}, issn = {1878-5190}, doi = {10.1007/s11144-012-0437-1}, author = {Jagtap, Sangeeta Vijay and Deshpande, Raj Madhukar} } @article { ISI:000309589000026, title = {L. K. Doraiswamy (1927-2012)}, journal = {Current Science}, volume = {103}, number = {5}, year = {2012}, month = {SEP}, pages = {571-572}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Kulkarni, B. D.} } @article { ISI:000307479100016, title = {Lamellar melting, not crystal motion, results in softening of polyoxymethylene on heating}, journal = {Macromolecules}, volume = {45}, number = {15}, year = {2012}, month = {AUG}, pages = {5967-5978}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We probe temperature-dependent changes in the semicrystalline microstructure of polyoxymethylene using a combination of modulated DSC, SAXS, and solid-state NMR to characterize macroscopic behavior, lamellar-level structure, and molecular environments, respectively, and correlate these with the change in mechanical properties probed using DMA and AFM. Two model samples are investigated: a melt crystallized sample prepared by injection molding and a sample obtained by crystallization from dilute solution. Our investigations reveal that, for both samples, there is an increase in crystalline motions and in the amorphous content on heating. DMA and AFM measurements reveal that the modulus of the molded sample decreases on heating to about 100 degrees C; however, there is a significant difference in behavior of the solution crystals, where we observe no significant decrease in stiffness (from AFM measurements). Thus, in contrast to previous reports, we demonstrate that the decrease in modulus on heating polyoxymethylene does not correlate with chain motions in the crystalline regions. We use SAXS to probe the semicrystalline morphology for the samples on heating and show that, for the molded sample, there is a distribution of lamellar thickness at room temperature and that the thin lamellae in this distribution melt on heating. In contrast to the behavior of the melt crystallized samples, the solution crystals exhibit no change in the lamellar stacking on heating to 150 degrees C. We also demonstrate that, on heating, the amorphous regions in the solution crystals always appear to have restricted mobility while there are mobile and low mobility amorphous regions in the molded samples. Our results suggest that, contrary to conventional belief, the decrease in modulus on heating polyoxymethylene arises not from motions in the crystalline lamellae but primarily from melting of thin lamellae.
}, issn = {0024-9297}, doi = {10.1021/ma3004423}, author = {Kumaraswamy, Guruswamy and Surve, Nikita S. and Mathew, Renny and Rana, Abhimanyu and Jha, Saroj K. and Bulakh, Neelima N. and Nisal, Anuya and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Ratnagiri, Ram} } @article { ISI:000308519200010, title = {Larvicidal potential of mimusops elengi against aedes aegypti (L) and Culex quinquefasciatus (Say)}, journal = {Journal of Vector Borne Diseases}, volume = {49}, number = {2}, year = {2012}, month = {JUN}, pages = {111-113}, publisher = {MALARIA RESEARCH CENTRE, INDIAN COUNCIL MEDICAL RESEARCH-ICMR}, address = {22 SHAM NATH MARG, DELHI, 00000, INDIA}, keywords = {Aedes aegypti, Culex quinquefasciatus, larvicidal activity, Mimusops elengi}, issn = {0972-9062}, author = {Ruikar, Anjali D. and Pawar, Pushpa V. and Sen, Avalokiteswar and Phalgune, Usha D. and Puranik, Vedavati G. and Deshpande, Nirmala R.} } @article { ISI:000310940500009, title = {Laser synthesized super-hydrophobic conducting carbon with broccoli-type morphology as a counter-electrode for dye sensitized solar cells}, journal = {Nanoscale}, volume = {4}, number = {21}, year = {2012}, month = {NOV}, pages = {6730-6734}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A laser photochemical process is introduced to realize superhydrophobic conducting carbon coatings with broccoli-type hierarchical morphology for use as a metal-free counter electrode in a dye sensitized solar cell. The process involves pulsed excimer laser irradiation of a thin layer of liquid haloaromatic organic solvent o-dichlorobenzene (DCB). The coating reflects a carbon nanoparticle-self assembled and process-controlled morphology that yields solar to electric power conversion efficiency of 5.1\% as opposed to 6.2\% obtained with the conventional Pt-based electrode.
}, issn = {2040-3364}, doi = {10.1039/c2nr32082g}, author = {Gokhale, Rohan and Agarkar, Shruti A. and Debgupta, Joyashish and Shinde, Deodatta and Lefez, Benoit and Banerjee, Abhik and Jog, Jyoti Prakash and More, Mahendra A. and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000304155900025, title = {Latex-mediated synthesis of ZnS nanoparticles: green synthesis approach}, journal = {Journal of Nanoparticle Research}, volume = {14}, number = {5}, year = {2012}, month = {MAY}, pages = {865}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A low-cost, green synthesis of ZnS nanoparticles is reported using 0.3 \% latex solution prepared from Jatropha curcas L. ZnS nanoparticles were characterized by X-ray diffraction, selected area electron diffraction, transmission electron microscopy, energy dispersive analysis of X-rays, UV-vis optical absorption and photoluminescence techniques. Fourier Transform Infrared Spectroscopy was performed to find the role of cyclic peptides namely curcacycline A (an octapeptide), curcacycline B (a nonapeptide) and curcain (an enzyme) as a possible reducing and stabilizing agents present in the latex of J. curcas L. The average size of ZnS nanoparticles was found to be 10 nm. Latex of J. curcas L. itself acts as a source of sulphide (S-2) ions that are donated to Zn ions under present experimental conditions. Source of sulphide (S-2) ions is still unclear, but we speculate that cysteine or thiol residues present in enzyme curcain may be donating these sulphide (S-2) ions.
}, keywords = {green synthesis, Latex, ZnS nanoparticles}, issn = {1388-0764}, doi = {10.1007/s11051-012-0865-x}, author = {Hudlikar, Manish and Joglekar, Shriram and Dhaygude, Mayur and Kodam, Kisan M.} } @article { ISI:000301965000034, title = {Ligand free, highly efficient synthesis of diaryl ether over copper fluorapatite as heterogeneous reusable catalyst}, journal = {Tetrahedron Letters}, volume = {53}, number = {14}, year = {2012}, month = {APR}, pages = {1826-1829}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A novel ligand-free, highly efficient, and an inexpensive method has been developed by using ecofriendly, heterogeneous reusable copper fluorapatite (CuFAP) catalyst for the synthesis of diaryl ethers from the cross coupling reaction of the various substituted aryl halides (fluoride, chloride, bromide, and iodide) with the potassium salts of various substituted phenols in the presence of N-methyl 2-pyrrolidone (NMP) as a solvent at 120 degrees C. The protocol obtained the corresponding cross coupling products in good to excellent yield. The CuFAP catalyst was recovered by simple filtration from the reaction mixture and reused several times without the loss of catalytic activity. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Arylhalide, Copper fluorapatite, Diaryl ethers, phenol, Ullmann coupling}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.01.124}, author = {Mulla, Shafeek Abdul Rashid and Inamdar, Suleman M. and Pathan, Mohsinkhan Y. and Chavan, Santosh S.} } @article { ISI:000309787500006, title = {Ligand promoted and controlled palladium-catalyzed intramolecular Heck reaction of homoallyl alcohols: a facile synthesis of cyclopentaannulated quinolines}, journal = {Tetrahedron}, volume = {68}, number = {45}, year = {2012}, month = {NOV}, pages = {9206-9210}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Bidentate phosphine ligands in palladium-catalyzed intramolecular Heck reactions of 2-chloroquinolin-3-yl-(1-homoallyl)alcohols are described to afford facile synthesis of 3-methylene-2,3-dihydro-1H-cy-clopenta[b]quinolines in improved yields. We further observed using bulky aromatic phosphine ligand in Pd-catalyzed intermolecular Heck coupling reaction at olefinic centers with iodobenzene also favored exclusively Heck products in excellent yield. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Heck cyclization, Homoallyl alcohol, Ligand promoted, Palladium-catalyzed, Quinoline}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.08.088}, author = {Singh, Radhey M. and Chandra, Atish and Sharma, Neha and Singh, Bhawana and Kumar, Ritush} } @article { ISI:000311111300007, title = {Lipase-mediated hydrolysis of flax seed oil for selective enrichment of alpha-linolenic acid}, journal = {European Journal of Lipid Science and Technology}, volume = {114}, number = {11}, year = {2012}, month = {NOV}, pages = {1246-1253}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Polyunsaturated fatty acids (PUFA) are important ingredients of human diet because of their prominent role in the function of human brain, eye and kidney. alpha-Linolenic acid (ALA), a C18, n-3 PUFA is a precursor of long chain PUFA in humans. Commercial lipases of Candida rugosa, Pseudomonas cepacea, Pseudomonas fluorescens, and Rhizomucor miehei were used for hydrolysis of flax seed oil. Reversed phase high performance liquid chromatography followed by gas chromatography showed that the purified oil contained 12 triacylglycerols (TAGs) with differences in fatty acid compositions. Flax seed oil TAGs contained alpha-linolenic acid (50\%) as a major fatty acid while palmitic, oleic, linoleic made up rest of the portion. Among the four commercial lipases C. rugosa has preference for ALA, and that ALA was enriched in free fatty acids. C. rugosa lipase mediated hydrolysis of the TAGs resulted in a fatty acid mixture that was enriched in alpha-linolenic to about 72\% yield that could be further enriched to 80\% yield by selective removal of saturated fatty acids by urea complexation. Such purified ALA can be used for preparation of ALA-enriched glycerides. Practical applications: This methodology allows purifying ALA from fatty acid mixture obtained from flax seed oil by urea complexation.
}, keywords = {a-Linolenic acid, Flax seed oil, Lipases, PUFA, Urea complexation}, issn = {1438-7697}, doi = {10.1002/ejlt.201100384}, author = {Rupani, Banin and Kodam, Kisan M. and Gadre, Ramchandra V. and Najafpour, Ghasem D.} } @article { ISI:000300458300075, title = {Low plasma albumin levels are associated with increased plasma protein glycation and HbA1c in diabetes}, journal = {Journal of Proteome Research}, volume = {11}, number = {2}, year = {2012}, month = {FEB}, pages = {1391-1396}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Albumin is one of the most abundant plasma proteins and is heavily glycated in diabetes. In this study, we have addressed whether variation in the albumin levels influence glycation of plasma proteins and HbA1c. The study was performed in three systems: (1) streptozotocin (STZ)-induced diabetic mice plasma, (2) diabetic clinical plasma, and (3) in vitro glycated plasma. Diabetic mice and clinical plasma samples were categorized as diabetic high albumin plasma (DHAP) and diabetic low albumin plasma (DLAP) on the basis of their albumin levels. For the in vitro experiment, two albumin levels, high albumin plasma (HAP) and low albumin plasma (LAP), were created by differential depletion of plasma albumin. Protein glycation was studied by using a combination of two-dimensional electrophoresis (2DE), Western blotting, and LC-MSE. In both mice and clinical experiments, an increased plasma protein glycation was observed in DLAP than in DHAP. Additionally, plasma albumin levels were negatively correlated with HbA1c. The in vitro experiment with differential depletion of albumin mechanistically showed that the low albumin levels are associated with increased plasma protein glycation and that albumin competes for glycation with other plasma proteins.
}, keywords = {advanced glycation end products (AGEs), Albumin, glucose, post translational modification}, issn = {1535-3893}, doi = {10.1021/pr201030m}, author = {Bhonsle, Hemangi S. and Korwar, Arvind M. and Kote, Sachin S. and Golegaonkar, Sandeep B. and Chougale, Ashok D. and Shaik, Mahemud L. and Dhande, Nitin L. and Giri, Ashok P. and Shelgikar, Kishore M. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000307606000023, title = {Low-molecular-mass aspartic protease inhibitor from a novel penicillium sp.: implications in combating fungal infections}, journal = {Microbiology-SGM}, volume = {158}, number = {7}, year = {2012}, month = {JUL}, pages = {1897-1907}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {
A low-molecular-mass aspartic protease inhibitor was isolated from a novel Penicillium sp. The inhibitor was purified to homogeneity, as shown by reversed-phase HPLC and SDS-PAGE. The M-r of the inhibitor was 1585 and the amino acid composition showed the presence of D, D, D, E, A, K, L, Y, H, I and W residues. The steady-state kinetic interactions of Aspergillus saitoi aspartic protease with the inhibitor revealed the reversible, competitive, time-dependent tight-binding nature of the inhibitor, with IC50 and K-i values of 1.8 and 0.85 mu M, respectively. Fluorescence spectroscopy and circular dichroism analysis showed that inactivation of the enzyme was due to binding of the inhibitor to the active site. The inhibitor was found to inhibit mycelial growth and spore germination of Aspergillus fumigatus and Aspergillus niger in vitro with MIC values of 1.65 and 0.30 mu g ml(-1), respectively. This study will potentially open the way towards the development of a tight-binding peptidic inhibitor against fungal aspartic proteases to combat human fungal infections.
}, issn = {1350-0872}, doi = {10.1099/mic.0.058511-0}, author = {Menon, Vishnu and Rao, Mala} } @article { ISI:000302143900017, title = {Magnetic and magnetoelastic properties of Zn-doped cobalt-ferrites-CoFe2-xZnxO4 (x=0, 0.1, 0.2, and 0.3)}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {324}, number = {14}, year = {2012}, month = {JUL}, pages = {2286-2291}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Cobalt-ferrite (CoFe2O4) based materials are suitable candidates for magnetomechanical sensor applications owing to a strong sensitivity of their magnetostriction to an applied magnetic field. Zn-doped cobalt-ferrites, with nominal compositions CoFe2-xZnxO4 (x=0-0.3), were synthesized by auto-combustion technique using Co-, Fe-, and Zn-nitrate as precursors. X-ray spectra analysis and Transmission electron microscopy studies revealed that the as-prepared powders were comprised of nano-crystalline (similar to 25-30 nm) cubic-spinel phase with irregularly-shaped grains morphology along with minor impurity phases. Calcination (800 degrees C for 3 h) of the precursor followed by sintering (1300 degrees C for 12 h) resulted in a single phase cubic-spinel structure with average grain size similar to 2-4 mu m, as revealed from scanning electron micrographs. The magnitude of coercive field decreases from similar to 540 Oe for x=0 to 105 Oe for x=0.30. Saturation magnetization initially increases and peaks to similar to 87 emu/g for x=0.2 and then decreases. The peak value of magnetostriction monotonically decreases with increasing Zn content in the range 0.0-0.3; however the piezomagnetic coefficient (d lambda/dH) reaches a maximum value of 105 x 10(-9) Oe-1 for x=0.1. The observed variation in piezomagnetic coefficient in the Zn substituted cobalt ferrite is related to the reduced anisotropy of the system. The Zn-doped cobalt-ferrite (x=0.1) having high strain derivative could be a potential material for stress sensor application. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Cobalt-ferrite, Magnetic-properties, Magnetostriction}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2012.02.116}, author = {Somaiah, Nalla and Jayaraman, Tanjore V. and Joy, Pattayil Alias and Das, Dibakar} } @article { ISI:000313404400021, title = {Magnetic properties of nanocrystalline CoFe2O4 synthesized by thermal plasma in large scale}, journal = {Materials Chemistry and Physics}, volume = {137}, number = {2}, year = {2012}, month = {DEC}, pages = {586-595}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The paper reports the large scale synthesis of nanoparticles of CoFe2O4 using thermal plasma reactor by gas phase condensation method. The yield of formation was found to be around 15 g h(-1). The magnetic properties of CoFe2O4, synthesized at different reactor powers, were investigated in view of studying the effect of operating parameters of plasma reactor on the structural reorganization leading to the different cation distribution. The values of saturation magnetization, coercivity and remanent magnetization were found to be influenced by input power in thermal plasma. Although the increase in saturation magnetization was marginal (61 emu g(-1) to 70 emu g(-1)) with increasing plasma power; a significant increase in the coercivity (552 Oe to 849 Oe) and remanent magnetization (16 emu g(-1) to 26 emu g(-1)) were also noticed. The Mossbauer spectra showed mixed spinel structure and canted spin order for the as synthesized nanoparticles. The detailed analysis of cation distribution using the Mossbauer spectroscopy and X-ray photoelectron spectroscopy leads to the conclusion that the sample synthesized at an optimized power shows the different site selective states. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Magnetic materials, magnetic properties, Mossbauer spectroscopy, Nanostructures}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2012.10.007}, author = {Nawale, A. B. and Kanhe, Nilesh S. and Patil, K. R. and Reddy, V. R. and Gupta, A. and Kale, B. B. and Bhoraskar, S. V. and Mathe, Vikas L. and Das, A. K.} } @article { ISI:000302150700005, title = {Mapping of tms8 gene for temperature-sensitive genic male sterility (TGMS) in rice (Oryza sativa L.)}, journal = {Plant Breeding}, volume = {131}, number = {1}, year = {2012}, month = {FEB}, pages = {42-47}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Genetic analysis of F-2 and backcross populations of an induced temperature-sensitive genic male sterility (TGMS) mutant source F 61 with normal pollen parents revealed that TGMS trait was controlled by a single recessive gene. Molecular tagging of TGMS trait was attempted using polymorphic randomly amplified polymorphic DNA (RAPD) and simple sequence repeats (SSR) markers through bulked segregant analysis. The RAPD primers UBC 345830, UBC 313927, microsatellites RM224 and RM21 produced putative markers, which differentiate parents and bulks from sterile parent and sterile bulks. The RAPD analysis of individual F-2 plants with the primer UBC345(830) showed perfect marker-phenotype cosegregation. The 830-bp RAPD fragment, which segregated with TGMS locus at a distance of 1.33 cM, was eluted and cloned, and sequence information was used for designing sequence-characterized amplified region (SCAR) primer, which cosegregated with TGMS locus at a distance of 0.8 cM. TGMS locus was mapped onto chromosome 11 using RM21 and RM224, flanking it at a distance of 4.3 and 3.0 cM, respectively. The DNA markers tightly linked to TGMS gene (tms8) in F 61 can be cost effectively used for marker-assisted selection of TGMS trait.
}, keywords = {Bulked segregant analysis, randomly amplified polymorphic DNA, rice, sequence-characterized amplified region, SSR, temperature-sensitive genic male sterility}, issn = {0179-9541}, doi = {10.1111/j.1439-0523.2011.01897.x}, author = {Hussain, Appibhai J. and Ali, Jauhar and Siddiq, Ebrahimali A. and Gupta, Vidya S. and Reddy, Umesh K. and Ranjekar, Prabhakar K.} } @article {42821, title = {Mathematical model identifies conditions for {\textquoteright}unexpected{\textquoteright} increase in target protein levels due to miRNA regulation}, journal = { Mol. BioSyst.}, volume = {8}, year = {2012}, month = {MAR}, pages = {760-765}, type = {Article}, author = {Gokhale, S. and Gadgil, Chetan J.} } @article { ISI:000301406900010, title = {MCM-41 supported phosphotungstic acid for the hydroxyalkylation of phenol to phenolphthalein}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {10}, year = {2012}, month = {MAR}, pages = {3916-3922}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A novel application of phosphotungstic acid, H3PW12O40 (PWA) supported on MCM-41 molecular sieve as a solid acid catalyst has been demonstrated for the synthesis of phenolphthalein by hydroxyalkylation of phenol and phthalic anhydride. PWA/MCM-41 (20\%) showed the highest activity as compared to that of parent PWA and MCM-41 individually, due to the excellent dispersion of PWA on MCM-41 leading to the redistribution of Bronsted and Lewis acid sites on MCM-41. The effect of PWA loading on phthalic anhydride conversion and phenolphthalein selectivity was also studied. All these prepared catalysts were characterized by XRD, N-2 adsorption-desorption isotherm, pyridine-FTIR, and NH3-TPD. The effect of various reaction parameters, namely, mole ratios, catalyst concentration, temperature, reaction time, and percentage of PWA present in the catalysts on conversion and selectivity of products has been also investigated. The utility of 20\% PWA/MCM-41 catalyst was established by its efficient activity for hydroxyalkylation of phenol and p-cresol with formaldehyde to the corresponding dihydroxydiarylmethane products.
}, issn = {0888-5885}, doi = {10.1021/ie201989g}, author = {Jha, Ajay and Garade, Ajit C. and Mirajkar, Subhash P. and Rode, Chandrashekhar V.} } @article { ISI:000302902200006, title = {Mechanical properties of polypropylene blended with esterified and alkylated lignin}, journal = {Journal of Applied Polymer Science}, volume = {125}, number = {3}, year = {2012}, month = {AUG}, pages = {1701-1712}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Lignin does not show miscibility with commercial polyolefins. Therefore, industrial waste lignin was modified in two different ways and subsequently blended with commercial polypropylene (PP) up to 25 wt \%. A Brabender electronic plasticorder was used for melt mixing at 190 degrees C. The influence of different modifications on the mechanical properties and processing stability was studied for both polymer blends. The blends of PP and lignin modified (esterified) with maleic anhydride showed less deterioration in the mechanical properties compared to blends of PP and alkylated lignin with dichloroethane. Intermolecular interactions between the PP matrix and modified lignin were concluded on the basis of indicative values derived from various relevant theoretical models to the experimental data. (c) 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
}, keywords = {mechanical properties, miscibility, modification, polymer blends}, issn = {0021-8995}, doi = {10.1002/app.35633}, author = {Maldhure, Atul V. and Ekhe, J. D. and Deenadayalan, E.} } @article { ISI:000298854300041, title = {Metal and metal oxide nanoparticle synthesis from metal organic frameworks (MOFs): finding the border of metal and metal oxides}, journal = {Nanoscale}, volume = {4}, number = {2}, year = {2012}, month = {DEC}, pages = {591-599}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein, for the first time, we report a generalized strategy for the successful synthesis of highly crystalline metal and metal oxide nanoparticles embedded in a carbon matrix by the controlled thermolysis of metal organic frameworks (MOFs). The rationalized synthesis strategy of a broad range of metal and metal oxides nanoparticles, such as Cu/CuO, Co/Co3O4, ZnO, Mn2O3, MgO and CdS/CdO, by thermolysis of MOFs demonstrates for the first time that metal ions with a reduction potential of -0.27 volts or higher present in MOFs always form pure metal nanoparticles during thermolysis in N-2, whereas metal ions with a reduction potential lower than -0.27 volts form metal oxide nanoparticles during thermolysis in N-2. Another point of interest is the fact that we have found a unique relationship between the nanoparticle size and the distance between the secondary building units inside the MOF precursors. Interestingly, the crystallinity of the carbon matrix was also found to be greatly influenced by the environment (N-2 and air) during thermolysis. Moreover, these nanoparticles dispersed in a carbon matrix showed promising H-2 and CO2 adsorption properties depending on the environment used for the thermolysis of MOFs.
}, issn = {2040-3364}, doi = {10.1039/c1nr10944h}, author = {Das, Raja and Pachfule, Pradip and Banerjee, Rahul and Poddar, Pankaj} } @article { ISI:000311240100021, title = {Metal [Zn(II), Cd(II)], 1,10-phenanthroline containing coordination polymers constructed on the skeleton of polycarboxylates: synthesis, characterization, microstructural, and CO2 gas adsorption studies}, journal = {Crystal Growth \& Design}, volume = {12}, number = {11}, year = {2012}, month = {NOV}, pages = {5311-5319}, abstract = {
{Four new coordination polymers have been obtained by the reaction of metal [Zn(II), Cd(II)], 1,10-phenanthroline separately with two carboxylic acids, [biphenyl-4,4{\textquoteright}-dicarboxylic acid (4,4{\textquoteright}-H(2)BDA),and 4,4{\textquoteright}-azodibenzoic acid (4,4{\textquoteright}-H(2)ADA)]. The crystal structures of the resulting complexes of type {[Zn(4,4{\textquoteright}-BDA)(Phen)(2)center dot HCON(CH3)(2)}(n) (1), {[Cd(4,4{\textquoteright}-BDA)(Phen)](2)center dot H2O\
}, author = {Yadav, Pramod Kumar and Kumari, Niraj and Pachfule, Pradip and Banerjee, Rahul and Mishra, Lallan} } @article { ISI:000308361400011, title = {MgCl2 center dot 4((CH3)(2)CHCH2OH): a new molecular adduct for the preparation of TiClx/MgCl2 catalyst for olefin polymerization}, journal = {Dalton Transactions}, volume = {41}, number = {37}, year = {2012}, month = {JUL}, pages = {11311-11318}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new molecular adduct of MgCl2 with isobutanol, namely MgCl2 center dot 4((CH3)(2)CHCH2OH) (MgiBOH), has been prepared as a precursor to the supporting material for an olefin polymerization catalyst. The MgiBOH adduct and final titanated Ziegler-Natta catalysts have been thoroughly characterized by powder XRD, thermal analysis, Raman spectroscopy and solid-state NMR for structural and spectroscopy aspects. A peak observed at 712 cm(-1) in the Raman spectra of MgiBOH indicates the characteristic Mg-O-6 breathing mode and the formation of the adduct. The diffraction feature at 2 theta = 7.8 degrees (d = 11.223 angstrom) in the XRD confirms the adduct formation and the layered structure. The aim of the present article is to study how the insertion of a bulky isobutanol moiety affects the structural and electronic properties of the MgCl2 isobutanol molecular adduct. Indeed, the focus of the present study is to explore how the presence of isobutanol, in the initial molecular adduct, influences the final Z-N catalyst properties and its activity.
}, issn = {1477-9226}, doi = {10.1039/c2dt31211e}, author = {Thushara, K. S. and Gnanakumar, Edwin S. and Mathew, Renny and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @article { ISI:000311190800033, title = {MgCl2 center dot 6C(6)H(11)OH: a high mileage porous support for ziegler-natta catalyst}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {45}, year = {2012}, month = {NOV}, pages = {24115-24122}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new and single phase molecular adduct of MgCl2 with six cyclohexanol molecules MgCl2 center dot 6C(6)H(11)OH (MgCyOH) has been synthesized. Structural insight to this adduct was obtained by a variety of physicochemical methods. C-13 CPMAS spectrum and single pulse MAS spectra with high power proton decoupling recorded at different relaxation time showed the presence of two different sets of magnetically unequal cylcohexanol molecules present around Mg2+. A Raman feature of MgCyOH at 712 cm(-1) confirms that cylcohexanol molecules are present around Mg2+ in an octahedral environment. MgCyOH has been used as support material to prepare Ziegler-Natta (Z-N) active catalyst. Textural property of above Z-N catalyst exhibits high surface area (236 m(2)/g) with high porosity. Above active catalyst has been screened for ethylene polymerization. Depending on the cocatalyst employed (Me3Al, Et3Al, and iso-Bu3Al) and ethylene pressure, polyethylene yield varies an order of magnitude, from 378 to 3570 g/g catalyst, indicating a possible creation of different active sites and different interaction between cocatalyst and catalyst.
}, issn = {1932-7447}, doi = {10.1021/jp3074078}, author = {Gnanakumar, Edwin S. and Thushara, K. S. and Gowda, Ravikumar R. and Raman, Sumesh K. and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Chakraborty, Debashis and Gopinath, Chinnakonda S.} } @article { ISI:000310594400007, title = {Micropropagation of semecarpus anacardium L.: a medicinally important tree species}, journal = {Plant Biosystems}, volume = {146}, number = {1}, year = {2012}, month = {OCT}, pages = {61-68}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Semecarpus anacardium L., a deciduous forest tree, is a source of medicinal compounds. Poor seed-viability restricts the conventional propagation. Micropropagation protocol is standardized for this species. Shoot culture-derived nodal explants were cultured in woody plant media supplemented with thidiazuron (TDZ). Shoot differentiation from meristem was limited. Meristems swelled to form meristematic mass in higher concentrations of TDZ. Swelling of meristem was attributed to the proliferation of meristematic cells. Development of shoots from meristematic mass on withdrawal of TDZ in culture medium indicated the inhibitory influence of TDZ on differentiation of buds to form shoots. Harvesting the primary shoot, leads to appearance of additional shoot buds which elongated on repeated transfer of explants in a medium devoid of growth regulator every four weeks. Optimum (17) number of shoots obtained from each meristem in explants pre-cultured in TDZ 2.27 mu M and re-cultured in growth regulator free medium for seven cycles (28 weeks). This confirms the stimulatory influence of TDZ on proliferation of meristem and inhibitory influence on shoot differentiation. All shoots, rooted in the medium with Indole butyric acid 2.46 mu M. Plantlets survived on transfer to sand: soil (1: 1) mixture and acclimatized. This is the first report on micropropagation of S. anacardium from seedling derived nodal buds using TDZ.
}, keywords = {Meristematic, micropropagation, Semecarpus anacardium L., thidiazuron}, issn = {1126-3504}, doi = {10.1080/11263504.2012.727877}, author = {Panda, Bhuban Mohan and Hazra, Sulekha} } @article { ISI:000311204900021, title = {Microsatellite mapping identifies TTKST-effective stem rust resistance gene in wheat cultivars VL404 and Janz}, journal = {Molecular Breeding}, volume = {30}, number = {4}, year = {2012}, month = {DEC}, pages = {1757-1765}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Wheat cultivar VL404 carries seedling resistance to Puccinia graminis f. sp. tritici pathotype TTKST. Monogenic segregation for seedling resistance was observed in a VL404/WL711 recombinant inbred line population and the resistance locus was temporarily designated SrVL. Bulked segregant analysis using Diversity Arrays Technology markers located SrVL on chromosome 2BL. Detailed simple sequence repeat mapping placed SrVL between gwm120 and wmc175, both at genetic distances of 3.3 cM. Based on adult plant responses of Janz and VL404 in India and Kenya, we expected these cultivars to carry the same gene against TTKST. A subset of Diamondbird/Janz doubled haploid (DH) population showed monogenic segregation, when tested against TTKST and the locus was temporarily named SrJNZ. SrVL-linked markers gwm120 and wmc175 flanked SrJNZ at a similar genetic distance, thereby confirming our hypothesis. Chromosome 2BL carries Sr9, Sr16 and Sr28. Sr9 is a multi-allelic locus and all known alleles of Sr9 and Sr16 are ineffective against TTKSK and its derivatives. A recombination value of 16.7 cM between Sr9g-linked stripe rust resistance gene Yr7 and SrJNZ in Diamondbird/Janz DH population suggested that SrJNZ is not an allele at the Sr9 locus. Based on comparison of published genetic distances between Lr13, Sr9, Sr28 and Sr16 with that observed in this study, we concluded SrVL and SrJNZ to be Sr28. This gene was contributed by a common parent Gabo, which also exhibited resistance against TTKST. Sr28-linked markers gwm120 and wmc175 confirmed the presence of this gene in a high proportion of Australian cultivars that showed stem rust resistance in Kenya. These markers can be used for marker-assisted pyramiding of Sr28 with other stem rust resistance genes.
}, keywords = {Disease resistance, Markers, Stem rust, Ug99, Wheat}, issn = {1380-3743}, doi = {10.1007/s11032-012-9759-y}, author = {Bansal, Urmil K. and Rebecca S. Zwart and Bhavani, Sridhar and Wanyera, Ruth and Gupta, Vidya and Bariana, Harbans S.} } @article { ISI:000306547300013, title = {Microstructural elucidation of self-emulsifying system: effect of chemical structure}, journal = {Pharmaceutical Research}, volume = {29}, number = {8}, year = {2012}, month = {AUG}, pages = {2180-2188}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Self-emulsifying systems (SES) emulsify spontaneously to produce fine oil-in-water emulsion when introduced into aqueous phase. The self-emulsification process plays an important role during formation of emulsion. The objective of current work was to understand and explore the inner structuration of SES through controlled hydration and further to study the influence of additive on the same which ultimately governs performance of final formulation in terms of droplet size. Droplet size of final formulations containing structural analogues of ibuprofen was determined. Microstructural properties of intermediate hydrated regimes of SES were investigated using techniques such as small angle X-ray scattering, differential scanning calorimetry and rheology. The current work established inverse relationship between droplet size of the formulations containing structural analogues of ibuprofen and their Log P values. Microstructural analysis of intermediate hydrated regimes of the prepared samples showed formation of local lamellar structure. Structural analogues of ibuprofen significantly altered microstructure of lamellae which was well correlated with the droplet size of final formulations. In vitro drug release study showed increase in dissolution rate of lipophillic drugs when formulated as SES. The current work emphasizes the fact that tailor-made formulations can be prepared by controlling the properties of intermediate regimes.
}, keywords = {emulsion, flurbiprofen, ibuprofen, ketoprofen, lamellar structure, self-emulsifying system, structural analogues}, issn = {0724-8741}, doi = {10.1007/s11095-012-0746-0}, author = {Patil, Sharvil S. and Venugopal, Edakkal and Bhat, Suresh K. and Mahadik, Kakasaheb R. and Paradkar, Anant R.} } @article { ISI:000308260200006, title = {Microstructural reorganization and cargo release in pyrene urethane methacrylate random copolymer hollow capsules}, journal = {Langmuir}, volume = {28}, number = {35}, year = {2012}, month = {SEP}, pages = {12731-12743}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report the synthesis of polymer microcapsules by direct one-pot free radical random copolymerization approach. Urethane methacrylate comb monomers having pendant pyrene (Py) and 3-pentadecyl phenol (PDP) units were copolymerized in a random manner using benzoyl peroxide (BPO) as free radical initiator in dimethylformamide (DMF) as solvent. These copolymers and corresponding homopolymers spontaneously self-organized into microspheres upon drop casting from solvents like DMF and tetrahydrofuran (THF). Stable microspheres were obtained in water by dialyzing THF solution of the polymers against water in dialysis bags with molecular weight cutoff of similar to 2000. The hollow nature of the spheres was confirmed by rhodamine B (RhB) encapsulation followed by Forster resonance energy transfer (FRET) based fluorescence emission from RhB upon exciting pyrene. The microenvironment inside the capsule was probed by following the I-1/I-3 ratio of pyrene emission as well as RhB release as a function of temperature. The RhB encapsulated in the pyrene homopolymer PIHP-100Py capsules experienced strong donor-acceptor interaction and did not undergo complete release even at high temperature (85 degrees C). The encapsulated RhB from the copolymers with low pyrene incorporation was released almost fully upon heating beyond 50 degrees C. Pyrene moieties in the PIHP-100Py were shielded from surrounding water and experienced a hydrophobic environment, whereas in the low pyrene incorporated copolymer the PDP units were better shielded from the hydrophilic environment. This work represents a simple approach to produce polymer hollow capsules, and the varying pyrene incorporation was used to trace the microenvironment inside the capsules.
}, issn = {0743-7463}, doi = {10.1021/la302283q}, author = {Kaushlendra, K. and Asha, S. K.} } @article { ISI:000308731400012, title = {Mn(III) based binapthyl schiff base complex hetrogenized over organo-modified SBA-15: synthesis, characterization and catalytic application}, journal = {Applied Catalysis A-General}, volume = {439}, year = {2012}, month = {OCT}, pages = {101-110}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A heterogenized organocatalyst was synthesized by the covalent anchoring; of the complex chloro (S,S)(-)[N-3-tert-butyl-5-chloromethyl salicylidene]-N{\textquoteright}-[3{\textquoteright},5{\textquoteright}-di-tert-butyl salicylidene] 1,1{\textquoteright}-binapthyl-2,2{\textquoteright}-diamine manganese(III) over modified mesoporous surface of SBA-15 through the reactive 3-aminopropyl trimethoxysilane (3-APTMS) group. The surface properties of the functionalized catalyst were analyzed by a series of characterization techniques such as elemental analysis, XRD, N-2 sorption measurement isotherm, FT-IR, TGA-DTA, XPS, and solid state C-13 NMR. The XRD and N-2 sorption measurement, UV reflectance and CP MAS NMR spectroscopy (C-13 and Si-29) of the catalyst confirmed the structural integrity of the mesoporous hosts and the spectroscopic characterization technique proved the successful anchoring of the metal complex over the modified mesoporous support. The screening of the catalyst Mn(III)-L-SBA-15 and neat Mn(III)-L complexes was done in the oxidation reaction of thioanisole (methyl phenyl sulfide) by using TBHP as an oxidant. Mn(III)-L-SBA-15 catalyst shows higher activities and turnover number (TON) and exhibit enhanced enantiomeric excess comparable to homogeneous catalyst [Mn(III)-L]. [Mn(III)-L-SBA-15] catalyst was found more active than homogeneous catalyst [Mn(III)-L]; Moreover bulkier alkene like 1,2-dihydronapthalene was also efficiently epoxidised with the synthesized supported catalyst. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Binaphthyl ligand, Chiral Schiff-base, Immobilization, Post grafting synthesis}, issn = {0926-860X}, doi = {10.1016/j.apcata.2012.06.048}, author = {Sharma, Priti and Lazar, Anish and Singh, A. P.} } @article { ISI:000311184500020, title = {Modeling of liquid propellant combustion chamber}, journal = {Chemical Engineering Journal}, volume = {207}, number = {SI}, year = {2012}, note = {22nd International Symposium on Chemical Reaction Engineering (ISCRE), Maastricht, NETHERLANDS, SEP 02-05, 2012}, month = {OCT}, pages = {151-166}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Liquid propellants are fuels which do not require external supply of oxygen for combustion. These fuels are widely used for propulsion applications in oxygen rare environments (underwater, space). We had previously presented a model for solid propellant decomposition in a combustion chamber. In this study we extend the model for the case of combined solid and liquid propellant combustion. Sub-models relating to solid propellant combustion and outlet flow-rate in the present study are borrowed from the previous study. The combustion chamber is assumed to be a {\textquoteleft}well-mixed reactor{\textquoteright}. A model is developed to characterize the liquid propellant spray assuming the spray is a collection of individually burning droplets. A single droplet decomposition model was developed and used along-with the spray model to solve for the liquid propellant burning rate. Appropriate numerical methods and computer programs were developed to solve the model equations. The model predictions were compared with the experimental data obtained in earlier studies. Appropriate methodology for calibrating the model parameters was developed and its usefulness was demonstrated by comparing the simulated pressure profiles with the experimental pressure profiles. The presented model and results will be useful for selecting appropriate liquid propellants for propulsion systems and for the development of a system level model of propulsion systems. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Liquid propellant, Single droplet decomposition, Spray combustion}, issn = {1385-8947}, doi = {10.1016/j.cej.2012.06.033}, author = {Pandit, Ajinkya V. and Kumar, Ashok and Rao, G. Srinivasa and Kedarnath, C. and Srihari, R. and Ranade, Vivek V.} } @article { ISI:000308099900044, title = {MOF derived porous carbon-Fe3O4 nanocomposite as a high performance, recyclable environmental superadsorbent}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {37}, year = {2012}, month = {JUN}, pages = {19694-19699}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A high surface area carbon composite with Fe3O4 nanoparticles is synthesized by pyrolysis of an iron containing Metal Organic Framework (MOF). The composite can be prepared by annealing the MOF at different temperatures (500 degrees C and 600 degrees C), each case exhibiting unique properties in terms of the hydrophobic behaviour and surface area, resulting in specific applicability domains. We highlight the exceptional behaviour of this material as a magnetically separable and recyclable superadsorbent for removal and recovery of environmental pollutants (oil/hydrocarbon and dye/phenol).
}, issn = {0959-9428}, doi = {10.1039/c2jm33798c}, author = {Banerjee, Abhik and Gokhale, Rohan and Bhatnagar, Sumit and Jog, Jyoti Prakash and Bhardwaj, Monika and Lefez, Benoit and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000307920400025, title = {MOF with hydroxynaphthoquinone as organic linker: molecular structure of [Zn(Chlorolawsone)(2)(H2O)(2)] and thermogravimetric studies}, journal = {Journal of Molecular Structure}, volume = {1022}, year = {2012}, month = {AUG}, pages = {189-196}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Zinc complexes as MOF with hydroxynaphthoquinone as organic linkers are synthesized and characterized. The complexes Zn-1; [Zn(lawsone)(2)(H2O)(2)]center dot 3H(2)O and Zn-2; [Zn(chlorolawsone)(2)(H2O)(2)]center dot H2O, where lawsone is 2-hydroxy-1,4-naphthoquinone and chlorolawsone is 3-chloro-2-hydroxy-1,4-naphthoquinone, serve as hosts for adsorbed water molecules. nu(c=O) shows shift towards lower frequencies similar to 25 cm(-1) in Zn-1 and similar to 35 cm(-1) in Zn-2 in FTIR spectra. (HNMR)-H-1 shows upfield shift in Zn-1 and downfield shift in Zn-2 to the benzenoid ring protons. Bathochromic shift has been observed to the charge transfer band in UV-visible spectra of both complexes. The mass loss of adsorbed water molecules have been observed \<100 degrees C in thermogravimetric (TG) studies. Three adsorbed water molecules are present in Zn-1, while one in Zn-2. X-ray diffraction studies of Zn-2 show, distorted octahedral geometry around Zn(II). The two chlorolawsone ligands are in plane with the metal, while water molecules are trans to this plane. Formation of MOF has been observed in the synthesis of Zn-2 with chlorolawsone as organic linkers. The structure is stabilized by O-H center dot center dot center dot O, C-H center dot center dot center dot O hydrogen bonding H-bonding along with Cl center dot center dot center dot pi interactions to form a beautiful MOF architecture. Zn(II) atoms along with organic ligand form a tetramer via O-H center dot O interactions. The shortest Zn center dot center dot center dot Zn distance is 5.04 angstrom. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {3-Chloro-2-hydroxy-1, 4-naphthoquinone, MOF, Naphthoquinone, O-H center dot center dot center dot O hydrogen bonding, Vapochromic behavior, Zinc complexes}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2012.05.012}, author = {Salunke-Gawali, Sunita and Kathawate, Laxmi and Puranik, Vedavati G.} } @article { ISI:000305444200038, title = {Molecular dynamics simulation of phosphoric acid doped monomer of polybenzimidazole: a potential component polymer electrolyte membrane of fuel cell}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {24}, year = {2012}, month = {JUN}, pages = {7357-7366}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Phosphoric acid doped polybenzimidazole is promising electrolyte membranes for high temperature (100 degrees C and above) fuel cells. Proton conduction is governed by the amount of phosphoric acid content in the polymer membrane. In this present work, we perform molecular dynamics simulations on phosphoric acid doped 2-phenyl-1H,1{\textquoteright}H-5,5{\textquoteright}-bibenzo[d]imidazole (monomer unit of polybenzimidazole) to characterize the structural and dynamical properties at varying phosphoric acid content and temperature. From the structural analysis, we have predicted the arrangement of the phosphoric acids, formation of H-bonds in the system, and the contribution of different atoms toward H-bonding. We have also examined the stacking of 2-phenyl-1H,1{\textquoteright}H-5,5{\textquoteright}-bibenzo[d]imidazole molecules and how their arrangement changes with the increasing amount of PA in the system with the help of cluster analysis. From the molecular dynamics simulation conducted at different temperatures and phosphoric acid doping level, we have predicted the diffusion of phosphoric acid and monomer. As a dynamic quantity, we have also calculated ring flipping of the imidazole ring of the monomer.
}, issn = {1520-6106}, doi = {10.1021/jp301117m}, author = {Pahari, Swagata and Choudhury, Chandan Kumar and Pandey, Prithvi Raj and More, Minal and Venkatnathan, Arun and Roy, Sudip} } @article { ISI:000300041700030, title = {Molecular oxygen-assisted oxidative dehydrogenation of ethylbenzene to styrene with nanocrystalline Ti1-xVxO2}, journal = {Green Chemistry}, volume = {14}, number = {2}, year = {2012}, month = {DEC}, pages = {461-471}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Oxidative dehydrogenation of ethylbenzene to styrene has been studied with vanadium-incorporated mesoporous nanocrystalline titania (Ti1-xVxO2) and molecular oxygen between 440 and 530 degrees C. Incorporation of V in TiO2 lattice framework has been achieved by simple solution combustion method. Incorporation of V in TiO2 lattice has been confirmed by X-ray diffraction, XPS and Raman spectra and other physicochemical analysis. High ethyl benzene conversion and stable styrene yield has been observed with 10\% V-containing rutile phase titania at 500 degrees C. However, stable but relatively lower styrene yield has been observed with 2 and 5\% V-containing catalysts between 440 and 500 degrees C. Highest selectivity is observed with lower vanadium content. Comparable activity has been observed under similar experimental conditions with four times higher air-flow than that of O-2. In order to understand the structure activity relationship, spent catalysts were analyzed by all physico-chemical methods. Although there is a phase change from anatase to rutile Ti1-xVxO2 within 1 h of reaction, higher activity is primarily attributed to the ionic V5+ in Ti1-xVxO2 lattice, which prevents agglomeration to V2O5. It is to be underscored the reactivity is retained at the cost of textural properties and phase change from anatase to rutile, which is essential for the reaction.
}, issn = {1463-9262}, doi = {10.1039/c1gc15907k}, author = {Sivaranjani, Kumarsrinivasan and Verma, Akrati and Gopinath, Chinnakonda S.} } @article { ISI:000302350300092, title = {Molecular simulations of the conformational properties of atactic poly(2-ethylbutyl methacrylate)}, journal = {Journal of Applied Polymer Science}, volume = {125}, number = {2}, year = {2012}, month = {JUL}, pages = {1586-1591}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
RIS Metropolis Monte Carlo (RMMC) simulations were used to determine the unperturbed theta-state chain dimensions of atactic stereoconfigurations of poly (2-ethylbutyl methacrylate) [PEBMA]. Root mean-squared end-to-end distance (\< r(2)\>(o)/M)(1/2) and characteristic ratio (Cn) were calculated along with the backbone torsion angle distribution. The simulated properties are in very good agreement with experimental results. The values of the PEBMA chain dimensions are in-between those corresponding ones for poly(n-butyl methacrylate) and poly (n-hexyl methacrylate) thereby showing the effect of branching in the side-chain. (c) 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
}, keywords = {chain dimensions, conformations, Monte Carlo simulation, poly(2-ethylbutyl methacrylate), vinyl polymer}, issn = {0021-8995}, doi = {10.1002/app.35119}, author = {Karyappa, Rahul B. and Natarajan, Upendra} } @article { ISI:000302023500017, title = {Morphology controlled synthesis of LiV(2)0(5)/Ag nanocomposite nanotubes with enhanced electrochemical performance}, journal = {RSC Advances}, volume = {2}, number = {8}, year = {2012}, month = {MAR}, pages = {3231-3233}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Uniformly embedded silver (Ag) nanoparticles in orthorhombic nanotubes (NTs) of lithium vanadium oxide (LVO) synthesized via a facile template-free hydrothermal treatment at low temperature exhibited an excellent morphology with good crystallinity and may act as an exceptional contender for electronic applications.
}, issn = {2046-2069}, doi = {10.1039/c2ra01289h}, author = {Diggikar, Rahul S. and Dhavale, Vishal M. and Shinde, Dhanraj B. and Kanbargi, Nihal S. and Kulkarni, Milind V. and Kale, Bharat B.} } @article { ISI:000310068800011, title = {Multifaceted folding in a foldamer featuring highly cooperative folds}, journal = {Chemical Communications}, volume = {48}, number = {91}, year = {2012}, month = {SEP}, pages = {11205-11207}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein, we report on the folding pattern observed in a synthetic peptide featuring two highly mutually dependent, yet strikingly dissimilar, closed networks of hydrogen-bonded rings that work in a cumulative fashion to stabilize the entire folded architecture of the peptide. Structural studies unequivocally suggest that disruption of any one of these mutually-dependent hydrogen-bonded networks is deleterious to the stability of the fully folded conformation of the peptide.
}, issn = {1359-7345}, doi = {10.1039/c2cc35649j}, author = {Ramesh, Veera V. E. and Priya, Gowri and Kotmale, Amol S. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000321561204290, title = {Multi-Hit action of membrane active peptides: towards understanding bacterial cell killing}, journal = {Biophysical Journal}, volume = {102}, number = {3, 1}, year = {2012}, note = {56th Annual Meeting of the Biophysical-Society, San Diego, CA, FEB 25-29, 2012}, month = {JAN}, pages = {616A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Moiset, Gemma and Cirac, Anna D. and Mika, Jacek T. and Kocer, Armagan and Stuart, Marc C. A. and Sengupta, Durba and Marrink, Siewert-Jan and Poolman, Bert} } @article {43381, title = {Multiple H2 occupancy of cages of clathrate hydrate under mild condition}, journal = {Journal of the American Chemical Society}, volume = {134}, year = {2012}, month = {MAY}, pages = {9160 - 9162}, abstract = {Experiments were carried out by reacting H(2) gas with N(2) hydrate at a temperature of 243 K and a pressure of 15 MPa. The characterizations of the reaction products indicated that multiple H(2) molecules can be loaded into both large and small cages of structure II clathrate hydrates. The realization of multiple H(2) occupancy of hydrate cages under moderate conditions not only brings new insights into hydrogen clathrates but also refreshes the perspective of clathrate hydrates as hydrogen storage media.}, doi = {10.1021/ja303222u}, author = {Lu, Hailong and Wang, Jianwei and Liu, Changling and Ratcliffe, Christopher I. and Becker, Udo and Kumar, Rajnish and Ripmeester, John A.} } @article { ISI:000303696200040, title = {Multiple topologies from glycopolypeptide-dendron conjugate self-assembly: nanorods, micelles, and organogels}, journal = {Journal of the American Chemical Society}, volume = {134}, number = {18}, year = {2012}, month = {APR}, pages = {7796-7802}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Glycopolypeptides (GPs) were synthesized by ring-opening polymerization of glycosylated N-carboxyanhydride monomer and attached to hydrophobic dendrons at one chain end by {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} reaction to obtain amphiphilic anisotropic macromolecules. We show that by varying polypeptide chain length and dendron generation, an organogel was obtained in dimethylsulfoxide, while nanorods and micellar aggregates were observed in aqueous solutions. Assemblies in water were characterized by electron microscopy and dye encapsulation. Secondary structure of the GP chain was shown to affect the morphology, whereas the chain length of the poly(ethylene glycol) linker between the GP and dendron did not alter rod-like assemblies. Bioactive surface chemistry of these assemblies displaying carbohydrate groups was demonstrated by interaction of mannose-functionalized nanorods with ConA.
}, issn = {0002-7863}, doi = {10.1021/ja300065f}, author = {Pati, Debasis and Kalva, Nagendra and Das, Soumen and Kumaraswamy, Guruswamy and Sen Gupta, Sayam and Ambade, Ashootosh V.} } @article { ISI:000298662500033, title = {MYB8 Controls inducible phenolamide levels by activating three novel hydroxycinnamoyl-coenzyme a:polyamine transferases in nicotiana attenuata}, journal = {Plant Physiology}, volume = {158}, number = {1}, year = {2012}, month = {JAN}, pages = {389-407}, publisher = {AMER SOC PLANT BIOLOGISTS}, address = {15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA}, abstract = {
A large number of plants accumulate N-acylated polyamines (phenolamides [PAs]) in response to biotic and/or abiotic stress conditions. In the native tobacco (Nicotiana attenuata), the accumulation of two major PAs, caffeoylputrescine and dicaffeoylspermidine (DCS), after herbivore attack is known to be controlled by a key transcription factor, MYB8. Using a broadly targeted metabolomics approach, we show that a much larger spectrum of PAs composed of hydroxycinnamic acids and two polyamines, putrescine and spermidine, is regulated by this transcription factor. We cloned several novel MYB8-regulated genes, annotated as putative acyltransferases, and analyzed their function. One of the novel acyltransferases (AT1) is shown to encode a hydroxycinnamoyl-coenzyme A: putrescine acyltransferase responsible for caffeoylputrescine biosynthesis in tobacco. Another gene (acyltransferase DH29), specific for spermidine conjugation, mediates the initial acylation step in DCS formation. Although this enzyme was not able to perform the second acylation toward DCS biosynthesis, another acyltransferase gene, CV86, proposed to act on monoacylated spermidines, was isolated and partially characterized. The activation of MYB8 in response to herbivore attack and associated signals required the activity of LIPOXYGENASE3, a gene involved in jasmonic acid (JA) biosynthesis in N. attenuata. These new results allow us to reconstruct a complete branch in JA signaling that defends N. attenuata plants against herbivores: JA via MYB8{\textquoteright}s transcriptional control of AT1 and DH29 genes controls the entire branch of PA biosynthesis, which allows N. attenuata to mount a chemically diverse (and likely efficient) defense shield against herbivores.
}, issn = {0032-0889}, doi = {10.1104/pp.111.187229}, author = {Onkokesung, Nawaporn and Gaquerel, Emmanuel and Kotkar, Hemlata and Kaur, Harleen and Baldwin, Ian T. and Galis, Ivan} } @article { ISI:000306766200040, title = {NaIO4-NaN3-mediated diazidation of styrenes, alkenes, benzylic alcohols, and aryl ketones}, journal = {Tetrahedron Letters}, volume = {53}, number = {32}, year = {2012}, month = {AUG}, pages = {4195-4198}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Sodium periodate and sodium azide combination has been found to be an excellent reagent system suitable for the direct diazidation of styrenes, alkenes, benzylic alcohols, and aryl ketones to produce the corresponding vicinal and geminal diazides respectively in high yields under mild reaction conditions. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {alkenes, Aryl ketones, Geminal diazides, Sodium periodate, Vicinal diazides}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.05.140}, author = {Kamble, Dayanand A. and Karabal, Pratibha U. and Chouthaiwale, Pandurang V. and Sudalai, Arumugam} } @article { ISI:000299291900033, title = {Nanocomposite silica surfactant microcapsules by evaporation induced self assembly: tuning the morphological buckling by modifying viscosity and surface charge}, journal = {Soft Matter}, volume = {8}, number = {6}, year = {2012}, month = {DEC}, pages = {1955-1963}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Nanocomposite microcapsules of silica and surfactants have been synthesized using evaporation induced self-assembly through spray drying. It was established using electron microscopy and small-angle neutron/X-ray scattering experiments that the viscosity of the virgin dispersion and surface charge of colloidal components play a significant role in the buckling of spray droplets during drying. Hollow spherical grains are realized at relatively low viscosity and higher surface charge while mushroom like grains manifest at higher viscosity and lower surface charge. In the intermediate conditions, deformed doughnut shaped microcapsules are obtained. Scattering experiments establish the presence of the organization of micelle like aggregates of surfactants in the dried grains and also corroborate with the observations from electron microscopy. A plausible mechanism regarding the chronological pathways of morphological transformation is illustrated. Computer simulation, based on buckling of an elastic shell using a surface evolver, has been attempted in order to corroborate the experimental results.
}, issn = {1744-683X}, doi = {10.1039/c1sm06964k}, author = {Sen, D. and Bahadur, Jitendra and Mazumder, S. and Verma, G. and Hassan, P. A. and Bhattacharya, S. and Vijai, K. and Doshi, Pankaj} } @article { ISI:000300859000006, title = {Nanowires of silver-polyaniline nanocomposite synthesized via in situ polymerization and its novel functionality as an antibacterial agent}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {92}, year = {2012}, month = {APR}, pages = {35-41}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Silver-polyaniline (Ag-PANI) nanocomposite was synthesized by in situ polymerization method using ammonium persulfate CAPS) as an oxidizing agent in the presence of dodecylbenzene sulfonic acid (DBSA) and silver nitrate (AgNO3). The as synthesized Ag-PANI nanocomposite was characterized by using different analytical techniques such as UV-visible (UV-vis) and Fourier transform Infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FE-SEM), thermo gravimetric analysis (TGA). X-ray diffraction (XRD), and transmission electron microscopy (TEM). UV-visible spectra of the synthesized nanocomposite showed a sharp peak at similar to 420 nm corresponding to the surface plasmon resonance (SPR) of the silver nanoparticles (AgNPs) embedded in the polymer matrix which is overlapped by the polaronic peak of polyaniline appearing at that wavelength. Nanowires of Ag-PANI nanocomposite with diameter 50-70 nm were observed in FE-SEM and TEM. TGA has indicated an enhanced thermal stability of nanocomposite as compared to that of pure polymer. The Ag-PANI nanocomposite has shown an antibacterial activity against model organisms, a gram positive Bacillus subtilis NCIM 6633 in Mueller-Hinton (MH) medium, which is hitherto unattempted. The Ag-PANI nanocomposite with monodispersed AgNPs is considered to have potential applications in sensors, catalysis, batteries and electronic devices. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {antibacterial activity, Conducting poly(aniline), In situ polymerization, Nanocomposite}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2011.11.006}, author = {Tamboli, Mohaseen S. and Kulkarni, Milind V. and Patil, Rajendra H. and Gade, Wasudeo N. and Navale, Shalaka C. and Kale, Bharat B.} } @article { ISI:000298058400005, title = {New approximate method for the stochastic simulation of chemical systems: the representative reaction approach}, journal = {Journal of Computational Chemistry}, volume = {33}, number = {3}, year = {2012}, month = {JAN}, pages = {276-285}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
We have developed two new approximate methods for stochastically simulating chemical systems. The methods are based on the idea of representing all the reactions in the chemical system by a single reaction, i.e., by the representative reaction approach (RRA). Discussed in the article are the concepts underlying the new methods along with flowchart with all the steps required for their implementation. It is shown that the two RRA methods {with the reaction \$ 2A \textbackslashrightarrow B \$ as the representative reaction (RR)} perform creditably with regard to accuracy and computational efficiency, in comparison to the exact stochastic simulation algorithm (SSA) developed by Gillespie and are able to successfully reproduce at least the first two moments of the probability distribution of each species in the systems studied. As such, the RRA methods represent a promising new approach for stochastically simulating chemical systems. (C) 2011 Wiley Periodicals, Inc. J Comput Chem, 2012
}, keywords = {approximate algorithm, Stochastic simulations}, issn = {0192-8651}, doi = {10.1002/jcc.21971}, author = {Kadam, Shantanu and Vanka, Kumar} } @article {42496, title = {New chemodosimetric reagents as ratiometric probes for cysteine and homocysteine and possible detection in living cells and in blood plasma}, journal = {Chemistry a European Journal}, volume = {18}, year = {2012}, month = {NOV}, pages = {15382{\textendash}15393}, abstract = {
In this work, we have rationally designed and synthesized two new reagents (L1 and L2), each bearing a pendant aldehyde functionality. This aldehyde group can take part in cyclization reactions with β- or γ-amino thiols to yield the corresponding thiazolidine and thiazinane derivatives, respectively. The intramolecular charge-transfer (ICT) bands of these thiazolidine and thiazinane derivatives are distinctly different from those of the molecular probes (L1 and L2). Such changes could serve as a potential platform for using L1 and L2 as new colorimetric/fluorogenic as well as ratiometric sensors for cysteine (Cys) and homocysteine (Hcy) under physiological conditions. Both reagents proved to be specific towards Cys and Hcy even in the presence of various amino acids, glucose, and DNA. Importantly, these two chemodosimetric reagents could be used for the quantitative detection of Cys present in blood plasma by using a pre-column HPLC technique. Such examples are not common in contemporary literature. MTT assay studies have revealed that these probes have low cytotoxicity. Confocal laser scanning micrographs of cells demonstrated that these probes could penetrate cell membranes and could be used to detect intracellular Cys/Hcy present within living cells. Thus, the results presented in this article not only demonstrate the efficiency and specificity of two ratiometric chemodosimeter molecules for the quantitative detection of Cys and Hcy, but also provide a strategy for developing reagents for analysis of these vital amino acids in biological samples.
}, keywords = {charge transfer; chemodosimetric detection; cysteine/ homocysteine sensors; fluorescent probes; imaging agents; ratiometric probes}, doi = {10.1002/chem.201201621}, author = {Das, Priyadip and Mandal, Amal Kumar and Chandar, Nellore Bhanu and Baidya, Mithu and Bhatt, Harshad B. and Ganguly, Bishwajit and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000298672800047, title = {New poly(1,3,4-oxadiazole)s bearing pentadecyl side chains: synthesis and characterization}, journal = {Journal of Applied Polymer Science}, volume = {124}, number = {2}, year = {2012}, month = {APR}, pages = {1281-1289}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
The 4-[4{\textquoteright}-(Hydrazinocarbonyl)phenoxy]-2-pentadecylbenzohydrazide was polycondensed with aromatic diacid chlorides viz., terephthalic acid chloride (TPC), isophthalic acid chloride (IPC), and a mixture of TPC : IPC (50 : 50 mol \%) to obtain polyhydrazides which on subsequent cyclodehydration reaction in the presence of phosphoryl chloride yielded new poly(1,3,4-oxadiazole)s bearing flexibilizing ether linkages and pentadecyl side chains. Inherent viscosities of polyhydrazides and poly(1,3,4-oxadiazole)s were in the range 0.530.66 dL g(-1) and 0.490.53 dL g(-1), respectively, indicating formation of medium to reasonably high molecular weight polymers. The number average molecular weights (M-n) and polydispersities (M-w/M-n) of poly(1,3,4-oxadiazole)s were in the range 14,660-21,370 and 2.22.5, respectively. Polyhydrazides and poly(1,3,4-oxadiazole)s were soluble in polar aprotic solvents such as N,N-dimethylacetamide, 1-methyl-2-pyrrolidinone, and N,N-dimethylformamide. Furthermore, poly(1,3,4-oxadiazole)s were also found to be soluble in solvents such as chloroform, dichloromethane, tetrahydrofuran, pyridine, and m-cresol. Transparent, flexible, and tough films of polyhydrazides and poly(1,3,4-oxadiazole)s could be cast from N,N-dimethylacetamide and chloroform solutions, respectively. Both polyhydrazides and poly(1,3,4-oxadiazole)s were amorphous in nature and formation of layered structure was observed due to packing of pentadecyl chains. A decrease in glass transition temperature was observed both in polyhydrazides (143-166 degrees C) and poly(1,3,4-oxadiazole)s (90-102 degrees C) which could be ascribed to internal plasticization effect of pentadecyl chains. The T-10 values, obtained from TG curves, for poly(1,3,4-oxadiazole)s were in the range of 433-449 degrees C indicating their good thermal stability. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 124:1281-1289, 2012
}, keywords = {3, 4-oxadiazole)s, Cashew nut shell liquid, pentadecyl, poly(1, polyhydrazides, thermal stability}, issn = {0021-8995}, doi = {10.1002/app.34682}, author = {More, Arvind S. and Menon, Shamal K. and Wadgaonkar, Prakash P.} } @article { ISI:000308628900033, title = {New synthetic route for 1,2-diketo compounds using unexpected C-C bond cleavage by PCC}, journal = {Tetrahedron Letters}, volume = {53}, number = {39}, year = {2012}, month = {SEP}, pages = {5327-5330}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient method has been established for the preparation of 1,2-diketones by unexpected C-C bond cleavage in 4-keto-2-hydroxy esters using pyridiniumchlorochromate (PCC). (c) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {1, 2-Diketones, C-C bond cleavage, PCC}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.07.095}, author = {Bhosale, Shrikar M. and Momin, Aadil A. and Gawade, Rupesh L. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @article { ISI:000300864500001, title = {Nitrate reduction pathways in mycobacteria and their implications during latency}, journal = {Microbiology-SGM}, volume = {158}, number = {2}, year = {2012}, month = {FEB}, pages = {301-307}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {
Mycobacterial persistence has gained a lot of attention with respect to developing novel antitubercular drugs, which could drastically reduce the duration of tuberculosis (TB) therapy. A better understanding of the physiology of Mycobacterium tuberculosis, and of the metabolic state of the bacillus during the latent period, is a primary need in finding drug targets against persistent TB. Recent biochemical and genetic studies of nitrate reduction in mycobacteria have revealed the roles of distinct proteins and enzymes involved in the pathway. The differential degree of nitrate reduction among pathogenic and non-pathogenic mycobacterial species, and its regulation during oxygen and nutrient limitation, suggest a link between nitrate reduction pathways and latency. The respiratory and assimilatory reduction of nitrate in mycobacteria may be interconnected to facilitate rapid adaptation to changing oxygen and/or nitrogen conditions, increasing metabolic flexibility for survival in the hostile host environment. This review summarizes the nitrate metabolic pathways operative in mycobacteria to provide an insight into the mechanisms that M. tuberculosis has evolved to adapt successfully to the host environment.
}, issn = {1350-0872}, doi = {10.1099/mic.0.054759-0}, author = {Khan, Arshad and Sarkar, Dhiman} } @article { ISI:000299054200028, title = {Nitrogen-rich porous covalent imine network (CIN) material as an efficient catalytic support for C-C coupling reactions}, journal = {Dalton Transactions}, volume = {41}, number = {4}, year = {2012}, month = {DEC}, pages = {1304-1311}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In an effort to expand the realm of possibilities of nitrogen-rich porous materials that could be used in catalysis, herein we report the synthesis of a new highly nitrogen rich (ca. 45\%) porous covalent imine network (CIN-1) material employing simple Schiff base chemistry and further grafting its surface with palladium. Pd-loaded CIN-1 support acts as a truly heterogeneous catalyst towards Suzuki C-C coupling reaction between aryl halides with arylboronic acids. High surface area and excellent accessibility of the catalytic sites make it very efficient for heterogeneous catalysis. The stability of the catalyst due to intimate contact between nitrogen-rich organic support and metal allows several reuses with only a minor loss in catalytic activity.
}, issn = {1477-9226}, doi = {10.1039/c1dt11350j}, author = {Bhunia, Manas K. and Das, Swapan K. and Pachfule, Pradip and Banerjee, Rahul and Bhaumik, Asim} } @proceedings { ISI:000306973500619, title = {Noble metal ions incorporated in lattice points of perovskites - water gas shift activity of BaCe1-xPtxO3-d}, volume = {1447}, year = {2012}, note = {56th DAE-Solid State Physics Symposium (SSPS), SRM Univ, Kattankulathur, INDIA, DEC 19-23, 2011}, month = {JUN}, pages = {1277-1278}, publisher = {Govt India, Dept Atom Energy (DAE), Board Res Nucl Sci (BRNS)}, address = {2 Huntington Quadrangle, Ste 1no1, Melville, NY 11747-4501 USA}, abstract = {
Recently precious metals supported on oxides were reported to be very promising catalysts for the lower-temperature WGS reaction. Here we report the synthesis of platinum doped barium cerate and its use as catalysts for WGS reaction. It has been found that maximum CO conversion was obtained at 350 degrees C which enhanced after the first cycle. XPS analysis shows that after the first cycle more ionic Platinum species are present on the surface of the catalyst. Neutron diffraction at room temperature shows that the oxygen vacancies are in the O2 position and increases with increasing Pt substitution.
}, keywords = {BaCeO3, Neutron diffraction, Platinum catalysis, WGS reaction}, isbn = {978-0-7354-1044-2}, issn = {0094-243X}, doi = {10.1063/1.4710478}, author = {Jijil, Chamundi P. and Rajarajan, A. K. and Devi, R. Nandini}, editor = {Mittal, R. and Chauhan, A. K. and Mukhopadhyay, R.} } @conference {42775, title = {Non-isothermal kinetics of free-redical polymerization of 2-phenyl ethyl acrylate, paper presented at ?third international multicomponent polymer conference? impc 2012}, booktitle = {Third International Multicomponent Polymer Conference IMPC 2012, Kottayam, India.}, year = {2012}, month = {JAN}, address = {Kottayam, India.}, author = {Ghorpade, Ravindra V. and Rajdeo, K. S. and Ponrathnam S. and Chavan N. N.} } @article { ISI:000306651100077, title = {Novel anti-inflammatory activity of epoxyazadiradione against macrophage migration inhibitory factor inhibition of tautomerase and proinflammatory activities of macrophage migration inhibitory factor}, journal = {Journal of Biological Chemistry}, volume = {287}, number = {29}, year = {2012}, month = {JUL}, pages = {24844-24861}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {
Macrophage migration inhibitory factor (MIF) is responsible for proinflammatory reactions in various infectious and noninfectious diseases. We have investigated the mechanism of anti-inflammatory activity of epoxyazadiradione, a limonoid purified from neem (Azadirachta indica) fruits, against MIF. Epoxyazadiradione inhibited the tautomerase activity of MIF of both human (huMIF) and malaria parasites (Plasmodium falciparum (PfMIF) and Plasmodium yoelii (PyMIF)) non-competitively in a reversible fashion (K-i, 2.11-5.23 mu M). Epoxyazadiradione also significantly inhibited MIF (huMIF, PyMIF, and PfMIF)-mediated proinflammatory activities in RAW 264.7 cells. It prevented MIF-induced macrophage chemotactic migration, NF-kappa B translocation to the nucleus, up-regulation of inducible nitric-oxide synthase, and nitric oxide production in RAW 264.7 cells. Epoxyazadiradione not only exhibited anti-inflammatory activity in vitro but also in vivo. We tested the anti-inflammatory activity of epoxyazadiradione in vivo after co-administering LPS and MIF in mice to mimic the disease state of sepsis or bacterial infection. Epoxyazadiradione prevented the release of proinflammatory cytokines such as IL-1 alpha, IL-1 beta, IL-6, and TNF-alpha when LPS and PyMIF were co-administered to BALB/c mice. The molecular basis of interaction of epoxyazadiradione with MIFs was explored with the help of computational chemistry tools and a biological knowledge base. Docking simulation indicated that the binding was highly specific and allosteric in nature. The well known MIF inhibitor (S, R)-3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazole acetic acid methyl ester (ISO-1) inhibited huMIF but not MIF of parasitic origin. In contrast, epoxyazadiradione inhibited both huMIF and plasmodial MIF, thus bearing an immense therapeutic potential against proinflammatory reactions induced by MIF of both malaria parasites and human.
}, issn = {0021-9258}, doi = {10.1074/jbc.M112.341321}, author = {Alam, Athar and Haldar, Saikat and Thulasiram, Hirekodathakallu V. and Kumar, Rahul and Goyal, Manish and Iqbal, Mohd Shameel and Pal, Chinmay and Dey, Sumanta and Bindu, Samik and Sarkar, Souvik and Pal, Uttam and Maiti, Nakul C. and Bandyopadhyay, Uday} } @article { ISI:000307814000728, title = {Novel mechanism involved in temporal regulation of skin pigmentation homeostasis}, journal = {Journal of Investigative Dermatology}, volume = {132}, number = {2}, year = {2012}, note = {42nd Annual Meeting of the European-Society-for-Dermatological-Research (ESDR), Venice, ITALY, SEP 07-10, 2012}, month = {SEP}, pages = {S128}, publisher = {European Soc Dermatol Res (ESDR)}, address = {75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA}, issn = {0022-202X}, author = {Ganju, Parul and Natarajan, V. T. and Singh, A. and Vijayan, V. and Dani, Prachi P. and Kar, H. K. and Natarajan, K. and Gadgil, Chetan J. and Rani, R. and Gokhale, R. S.} } @article { ISI:000305112000030, title = {Novel microwave assisted sol-gel synthesis (MW-SGS) and electrochromic performance of petal like h-WO3 thin films}, journal = {Materials Research Bulletin}, volume = {47}, number = {7}, year = {2012}, month = {JUL}, pages = {1787-1793}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Use of domestic microwave oven is first time employed for chemical deposition of nanocrystalline hexagonal WO3 (h-WO3) thin films. Low cost precursors like sodium tungstate, hydrochloric acid, oxalic acid and potassium sulfate signifies cost effectiveness of this thin film fabrication route. Scanning electron microscopy images reveal formation of petal like nanodisks. A number of analytical techniques were used to characterize the WO3 petal like nanodisks, including X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDX). X-ray photoelectron spectroscopy, FT-IR spectroscopy, Raman scattering spectroscopy, UV-visible spectrophotometry and cyclic voltammetry (CV). The X-ray photoelectron spectroscopic studies revealed 2.89 O/W atomic ratio. The electrical transport studies on WO3 thin films show semiconducting behavior with n-type semiconductivity. The value of determined coloration efficiency is 57.90 cm(2)/C. The mechanism of Li+ intercalation and deinercalation in h-WO3 matrix is proposed for enhanced electrochromism. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Chemical synthesis, Electrochemical properties, Oxides, photoelectron spectroscopy}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2012.03.025}, author = {Kharade, Rohini R. and Patil, K. R. and Patil, P. S. and Bhosale, Popatrao N.} } @article { ISI:000311971400028, title = {Novel porous silica encapsulated Au nanoreactors as peroxidase mimic for one-pot glucose detection}, journal = {New Journal of Chemistry}, volume = {36}, number = {12}, year = {2012}, month = {DEC}, pages = {2625-2629}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The peroxidase family of natural enzymes facilitate H2O2 reduction by one electron transfer through aromatic substrates, if chromogenic, they can be used in the colorimetric detection of H2O2 and subsequently glucose in tandem with glucose oxidase. Au nanoparticles encapsulated within porous silica exhibited peroxidase mimetic activity and kinetic parameter evaluation indicates an excellent affinity for H2O2. It is also shown to have a detection capability for glucose in very low concentrations and could be used for glucose detection in a one-pot assay. The material is synthesised by using cation-ended thiol-stabilised ultra small gold clusters as precursors. Removal of the thiols creates micropores within the silica, making this material unique in that the active centres are protected inside the silica, yet are accessible to reactant molecules. This characteristic makes the material ideal as a detection tool where attrition resistance will be advantageous.
}, issn = {1144-0546}, doi = {10.1039/c2nj40665a}, author = {Samanta, Anupam and Dhar, Basab B. and Devi, R. Nandini} } @article { ISI:000304686200040, title = {Novel route for rapid biosynthesis of copper nanoparticles using aqueous extract of Calotropis procera L. latex and their cytotoxicity on tumor cells}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {95}, year = {2012}, month = {JUN}, pages = {284-288}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
This paper accounts for novel, low-cost, eco-friendly route for rapid biosynthesis of copper nanoparticles. Cysteine proteases present in the latex of Calotropis procera L. were used to fabricate copper nanoparticles from copper acetate. Copper nanoparticles were initially characterized by transmission electron microscopy (TEM) and X-ray diffraction technique (XRD). Transmission electron microscopy (TEM) was used to estimate the size and shape of nanoparticles. The average size of copper nanoparticles was found to be 15 +/- 1.7 nm. Energy dispersive analysis of X-rays (EDAX) showed distinct peaks of copper. Fourier transform infrared spectroscopy (FTIR) was performed to confirm capping behavior of the latex proteins that contributed to long term stability of copper nanoparticles (6 months) in aqueous medium. Copper nanoparticles synthesized by above method were monodisperse type. Cytotoxicity studies of latex stabilized copper nanoparticles were carried out on HeLa, A549 and BHK21 cell lines by MTT dye conversion assay. HeLa, A549 and BHK21 cells showed excellent viability even at 120 mu M concentration of copper nanoparticles. This shows that copper nanoparticles synthesized by above method hold excellent biocompatibility. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Biocompatible, Copper nanoparticles, FTIR, Latex, Tumor cells, X-ray diffraction technique (XRD)}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2012.03.005}, author = {Harne, Shrikant and Sharma, Ashwinikumar and Dhaygude, Mayur and Joglekar, Shriram and Kodam, Kisan M. and Hudlikar, Manish} } @article {42707, title = {Novel ruthenium complexes and their uses in processes for formation and/or hydrogenation of esters, amides and derivatives thereof}, number = {US 14/702,641}, year = {2012}, month = {OCT}, chapter = {US20150284417 A1}, abstract = {
The present invention relates to novel Ruthenium complexes and related borohydride complexes, and their use for (1) hydrogenation of amides (including polyamides) to alcohols and amines; (2) preparing amides from alcohols with amines (including preparing polyamides (e.g., polypeptides) by reacting dialcohols and diamines or by polymerization of amino alcohols); (3) hydrogenation of esters to alcohols (including hydrogenation of cyclic esters (lactones), cyclic di-esters (di-lactones) or polyesters); (4) hydrogenation of organic carbonates (including polycarbonates) to alcohols and of carbamates (including polycarbamates) or urea derivatives to alcohols and amines; (5) dehydrogenative coupling of alcohols to esters; (6) hydrogenation of secondary alcohols to ketones; (7) amidation of esters (synthesis of amides from esters and amines); (8) acylation of alcohols using esters; (9) coupling of alcohols with water to form carboxylic acids; and (10) dehydrogenation of beta-amino alcohols to form pyrazines. The present invention further relates to novel uses of certain pyridine Ruthenium complexes.
}, author = {Milstein, David and Balaraman, Ekambaram and Gunanathan, Chidambaram and Gnanaprakasam, Boopathy and Zhang, Jing} } @article {42644, title = {Novel solid cloisite tin catalyzed polymerization of L-lactide}, journal = {Journal of Chemistry and Chemical Engineering}, volume = {6}, year = {2012}, month = {JAN}, pages = { 54-60 }, abstract = {
A novel cloisite modified solid catalyst was prepared in a single step from commercially available starting materials for the first time. The ring opening polymerization of L-lactide and D-lactide using this cloisite modified solid catalyst resulted in homopolymers of 75,000 and PDI = 1.6 and the maximum molecular weight (Mw) i.e. 180,000 with PDI = 1.9 were obtained. The catalytic activity of cloisite modified solid catalyst was compared with the conventional stannous octoate catalyst and found superior to stannous octoate in all respect such as conversion, molecular weight and molecular weight distribution etc.. Moreover, the maximum molecular weight i.e. 180,000was obtained at 220 o C, whereas, transesterification reaction predominate in presence of stannous octoate. The linear structure was confirmed by quantitative 13C NMR Spectroscopy. Blend films were obtained by casting mixed solutions of poly (D-lactide) and poly (L lactide) at various compositions, and stereocomplex was formed at 50/50 composition with molecular weight of 75,000.
}, author = {Selukar, Balaji Sidram and Pandey, Asutosh Kumar and Nande, Smita Sunil and Bansode, Avinash Santram and Garnaik, Baijayantimala} } @article { ISI:000305092400004, title = {NOx catalyzed pathway of stratospheric ozone depletion: a coupled cluster investigation}, journal = {Journal of Chemical Theory and Computation}, volume = {8}, number = {6}, year = {2012}, month = {MAY}, pages = {1895-1901}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report a theoretical investigation on the NOx catalyzed pathways of stratospheric ozone depletion using highly accurate coupled cluster methods. These catalytic reactions represent a great challenge to state-of-the-art ab initio methods, while their mechanisms remain unclear to both experimentalists and theoreticians. In this work, we have used the so-called {\textquoteleft}{\textquoteleft}gold standard of quantum chemistry,{\textquoteright}{\textquoteright} the CCSD(T) method, to identify the saddle points on NOx-based reaction pathways of ozone hole formation. Energies of the saddle points are calculated using the multireference variants of coupled cluster methods. The calculated activation energies and rate constants show good agreement with available experimental results. Tropospheric precursors to stratospheric NOx radicals have been identified, and their potential importance in stratospheric chemistry has been discussed. Our calculations resolve previous conflicts between ab initio and experimental results for a trans nitro peroxide intermediate, in the NOx catalyzed pathway of ozone depletion.
}, issn = {1549-9618}, doi = {10.1021/ct300209s}, author = {Dutta, Achintya Kumar and Vaval, Nayana and Pal, Sourav} } @article { ISI:000308631300056, title = {Observation of enhanced dielectric coupling and room-temperature ferromagnetism in chemically synthesized BiFeO3@SiO2 core-shell particles}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {36}, year = {2012}, month = {SEP}, pages = {19503-19511}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report the effect of SiO2 coating on the structural, magnetic, and dielectric properties of chemically synthesized high-purity BiFeO3 particles. The assynthesized BiFeO3 particles demonstrate properties comparable with those reported for bulk BiFeO3. On the other hand, the structural measurement on BiFeO3@SiO2 shows that the SiO2 coating has anisotropically compressed the lattice of BiFeO3 particles and stimulates the variation in the electron density. This affects magnetic and dielectric behavior of material. Frequency-dependent dielectric constant study at low temperature (20-325 K) revealed slight reduction (8-10\%) in the dielectric constant of BiFeO3@SiO2 particles compared to uncoated BiFeO3 particles. The study reveals five anomalies at 234, 206, 146, 84, and 25 K located in close proximity to the linear magnetodielectric coupling and spin reorientation transitions. The loss tangent (approximate to 10(-3)) and alternating current (ac) conductivity (approximate to 10(-8) Omega(-1)cm(-1)) of BiFeO3@SiO2 particles are orders of magnitude lower than those observed for the BiFeO3 particles. The magnetic measurement shows the existence of room-temperature ferromagnetism in BiFeO3@SiO2 particles with average value of magnetic moment per Fe atom approximate to 0.030 mu(B) and appreciable coercivity as high as 120 Oe. The canted spin structure in the surface shell of BiFeO3@SiO2 particles show an enhanced magnetic property and shifted hysteresis loop. The magnetic measurement in close proximity to dielectric transitions revealed enhanced magnetization, suggesting the presence of anisotropies. It has been observed that SiO2 coating alters the properties of BiFeO3 particles. Our dielectric and magnetic measurements show enhanced coupling among the electric and magnetic ordered parameters in BiFeO3@SiO2 core-shell particles compared to uncoated BiFeO3 particles. The magnetic and dielectric properties of SiO2-coated BiFeO3 are similar to nanoparticles of BiFeO3 where interface plays a significant role.
}, issn = {1932-7447}, doi = {10.1021/jp3025683}, author = {Shirolkar, Mandar M. and Das, Raja and Maity, Tuhin and Poddar, Pankaj and Kulkarni, Sulabha K.} } @article { ISI:000303442500016, title = {One pot glucose detection by [Fe-III(biuret-amide)] immobilized on mesoporous silica nanoparticles: an efficient HRP mimic}, journal = {Chemical Communications}, volume = {48}, number = {43}, year = {2012}, month = {APR}, pages = {5289-5291}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An [Fe-III(biuret-amide)] complex has been immobilized onto mesoporous silica nanoparticles via Cu(I) catalyzed azide-alkyne click chemistry. This hybrid material functions as an efficient peroxidase mimic and was successfully used for the quantitative determination of hydrogen peroxide and glucose via a one-pot colorimetric assay.
}, issn = {1359-7345}, doi = {10.1039/c2cc30970j}, author = {Malvi, Bharmana and Panda, Chakadola and Dhar, Basab B. and Sen Gupta, Sayam} } @article { ISI:000299290200019, title = {One-dimensional confinement of a nanosized metal organic framework in carbon nanofibers for improved gas adsorption}, journal = {Chemical Communications}, volume = {48}, number = {14}, year = {2012}, month = {DEC}, pages = {2009-2011}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The loading of a Zn-terephthalate based MOF in the inner cavity as well as on the outer walls of a hollow carbon nanofiber (CNF) creates MOF@CNF hybrids. This hybrid {\textquoteleft}{\textquoteleft}MOF@CNF{\textquoteright}{\textquoteright} displayed improved thermal stability as well as gas adsorption compared to the individual counterparts.
}, issn = {1359-7345}, doi = {10.1039/c2cc16877d}, author = {Pachfule, Pradip and Balan, Beena K. and Kurungot, Sreekumar and Banerjee, Rahul} } @article { ISI:000302164500022, title = {One-Pot method for the selective conversion of hemicellulose from crop waste into C5 sugars and furfural by using solid acid catalysts}, journal = {Chemsuschem}, volume = {5}, number = {4}, year = {2012}, month = {APR}, pages = {751-761}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {
We present a solid-acid catalyzed one-pot method for the selective conversion of solid hemicellulose without its separation from other lignocellulosic components, such as cellulose and lignin. The reactions were carried out in aqueous and biphasic media to yield xylose, arabinose, and furfural. To overcome the drawbacks posed by mineral acid methods in converting hemicelllulose, we used heterogeneous catalysts that work at neutral pH. In a batch reactor, these heterogeneous catalysts, such as solid acids (zeolites, clays, metal oxides etc.), resulted in \>90\% conversion of hemicellulose. It has been shown that the selectivity for the products can be tuned by changing the reaction conditions, for example, a reaction carried out in water at 170 degrees C for 1 h with HBeta (Si/Al=19) and HUSY (Si/Al=15) catalysts gave yields of 62 and 56\% for xylose and arabinose, respectively. With increased reaction time (6 h) and in presence of only water, HUSY resulted in yields of 30\% xylose+arabinose and 18\% furfural. However, in a biphasic reaction system (water+p-xylene, 170 degrees C, 6 h) yields of 56\% furfural with 17\% xylose+arabinose could be achieved. It was shown that with the addition of organic solvent the furfural yield could be increased from 18 to 56\%. Under optimized reaction conditions, \>90\% carbon balance was observed. The study revealed that catalysts were recyclable with a 20\% drop in activity for each subsequent run. It was observed that temperature, pressure, reaction time, substrate to catalyst ratio, solvent, and so forth had an effect on product formation. The catalysts were characterized by means of X-ray diffraction, temperature-programmed desorption of NH3, inductively coupled plasma spectroscopy, elemental analysis, and solid-state NMR (Si-29, Al-27) spectroscopy techniques.
}, keywords = {analytical methods, Biomass, carbohydrates, heterogeneous catalysis, zeolites}, issn = {1864-5631}, doi = {10.1002/cssc.201100448}, author = {Sahu, Ramakanta and Dhepe, Paresh Laxmikant} } @article { ISI:000311698800036, title = {One-pot sol-gel preparation for efficient cobalt-molybdenum-titania hydrotreating catalysts}, journal = {Chemcatchem}, volume = {4}, number = {12}, year = {2012}, month = {DEC}, pages = {2112-2120}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Titania-based hydrodesulfurization catalysts were prepared by using a one-pot solgel method with the titanium peroxo complex as titanium precursor and molybdenum and cobalt precursors dissolved in the aqueous hydrogen peroxide solution used during synthesis. Catalysts with MoO3 loadings varying from 5 to 40 wt?\% and a Co/Mo atomic ratio of 0.5 were prepared. Solids with molybdenum loadings below 20 wt?\% MoO3 demonstrated poor hydrodesulfurization activity for the model compound thiophene. This was attributed to the presence of a large amount of embedded cobalt and molybdenum species in the titania matrix. A significant increase in the catalytic activity was observed for solids containing 20 and 25 wt?\% of MoO3 on which active species appeared to be accessible on the titania surface. Furthermore, the highest conversion obtained on these solgel solids was superior to the highest conversion obtained on reference catalysts prepared through the impregnation of ammonium heptamolybdate and cobalt nitrate on commercial titania.
}, keywords = {cobalt, heterogeneous catalysis, Molybdenum, sol-gel process, titanium}, issn = {1867-3880}, doi = {10.1002/cctc.201200165}, author = {Nguyen, D. L. and Gillot, S. and Souza, D. O. and Blanchard, P. and Lamonier, Carole and Berrier, E. and Kotbagi, T. V. and Dongare, Mohan K. and Shubhangi B. Umbarkar and Cristol, S. and Payen, E. and Lancelot, Christine} } @article { ISI:000302634800023, title = {Organization of cubic CeO2 nanoparticles on the edges of self assembled tapered ZnO nanorods via a template free one-pot synthesis: significant cathodoluminescence and field emission properties}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {18}, year = {2012}, month = {MAR}, pages = {8887-8895}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The present investigation explores the controlled architecture of a CeO2-ZnO nanocomposite via a template-free, low temperature, facile single step solvothermal approach. This complex architecture depicts cubic single crystalline CeO2 nanoparticles (size similar to 15 nm) grown on the edges of tapered ZnO nanorods with definite orientations and alignments. The formation of wurtzite ZnO, cubic CeO2 and the coexistence of Ce3+ and Ce4+ on the surface of the CeO2-ZnO nanocomposites are confirmed using various characterization tools. The finding of such unique nanostructures by a facile method is exemplified by a plausible growth mechanism. Surprisingly, the aqueous mediated ultrasonication reaction conferred the formation of crystalline ZnO nanotubes of diameter similar to 50 nm. Spatially resolved cathodoluminescence spectra are obtained by linearly scanning an individual CeO2-ZnO nanorod along its length, which reveals the size-dependent surface effects. Interestingly, such hybrid CeO2-ZnO nanoarchitecture is observed to exhibit enhanced field emission properties, demonstrating better current stability as compared to other ZnO nanostructures. This is attributed mainly to strong surface interactions between the Ce-ionic species and the ZnO nanorods. Herein, a soft-chemical approach is used for the first time to architect a binary oxide nanostructure, which is otherwise accomplished using high temperature techniques, as reported elsewhere. Also, the present work not only gives insight into understanding the hierarchical growth behaviour of the CeO2-ZnO nanocomposite in a solution phase synthetic system, but also provides an efficient route to enhance the field emission performance of ZnO nanostructures, which could be extended to other potential applications, such as chemical sensors, optoelectronic devices and photocatalysts.
}, issn = {0959-9428}, doi = {10.1039/c2jm30226h}, author = {Warule, Sambhaji S. and Chaudhari, Nilima S. and Kale, Bharat B. and Patil, Kashinath R. and Koinkar, Pankaj M. and More, Mahendra A. and Murakami, Ri-ichi} } @article { ISI:000310215100010, title = {Organocatalytic dynamic kinetic resolution via conjugate addition: synthesis of chiral trans-2,5-dialkylcyclohexanones}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {41}, year = {2012}, month = {AUG}, pages = {8260-8267}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel strategy of initiating an organocatalysed dynamic kinetic resolution (dr up to 99 : 1 and er up to 94 : 6) for the synthesis of chiral trans-2,5-dialkylcyclohexanones by an asymmetric conjugate addition of dimethyl malonate on to 6-substituted cyclohexenones is reported.
}, issn = {1477-0520}, doi = {10.1039/c2ob26597d}, author = {Pandey, Ganesh and Adate, Priyanka A. and Puranik, Vedavati G.} } @article { ISI:000304129000011, title = {Organocatalytic sequential alpha-amination/corey-chaykovsky reaction of aldehydes: a high yield synthesis of 4-hydroxypyrazolidine derivatives}, journal = {Organic Letters}, volume = {14}, number = {10}, year = {2012}, month = {MAY}, pages = {2468-2471}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A tandem reaction of in situ generated a-amino aldehydes with dimethyloxosulfonium methylide under Corey-Chaykovsky reaction conditions proceeds efficiently to give 4-hydroxypyrazolidine derivatives in high yields with excellent enantio- and diastereoselectivities. This organocatalytic sequential method provides for the efficient synthesis of anti-1,2-aminoalcohols, structural subunits present in several bioactive molecules as well.
}, issn = {1523-7060}, doi = {10.1021/ol300739b}, author = {Kumar, B. Senthil and Venkataramasubramanian, V. and Sudalai, Arumugam} } @article { ISI:000300047600017, title = {Organocatalytic stereoselective synthesis of passifloricin A}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {9}, year = {2012}, month = {DEC}, pages = {1820-1825}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The enantioselective synthesis of passifloricin A has been achieved in high diastereomeric excess. The 1,3-polyol moiety was constructed by iterative proline-catalyzed sequential alpha-aminoxylation and Horner-Wadsworth-Emmons (HWE) olefination of aldehydes while the synthesis of lactone moiety was achieved by ring-closing metathesis (RCM).
}, issn = {1477-0520}, doi = {10.1039/c2ob06711k}, author = {Kumar, Pradeep and Pandey, Menaka and Gupta, Priti and Dhavale, Dilip D.} } @article { ISI:000307143600015, title = {Overview on the cellulose based conducting composites}, journal = {Composites Part B-Engineering}, volume = {43}, number = {7, SI}, year = {2012}, month = {OCT}, pages = {2822-2826}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Biopolymer based composites have been employed in numerous applications with increasing interest not only due to renewable, eco-friendly nature, but also because of the flexibility in processing conditions and competitive cost of their end products. The conductive materials from biopolymers have been found applicable in robots, medical imaging, sensitive membranes, actuators, visual displays, electronic wiring and shielding, and components in batteries. Cellulose is one of the most abundant biopolymers in the nature, which has received special attention for development of conducting materials due to biocompatibility for protein and drug immobilization and ability to form the composites with synthetic polymers. The present review is aimed to provide concisely the current status in this field of conducting composites from cellulose, with brief discussions of associated problems and future applications. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Fibres, mechanical properties, Nano-structures, Polymer-matrix composites (PMCs)}, issn = {1359-8368}, doi = {10.1016/j.compositesb.2012.04.045}, author = {Pandey, Jitendra Kumar and Takagi, Hitoshi and Nakagaito, Antonio Norio and Saini, Daulat Ram and Ahn, Sung-Hoon} } @article { ISI:000308866800011, title = {Palladium-catalyzed routes to geranylated or farnesylated phenolic stilbenes: synthesis of pawhuskin C and schweinfurthin J}, journal = {Synthesis-Stuttgart}, volume = {44}, number = {18}, year = {2012}, month = {SEP}, pages = {2895-2902}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Starting from double MOM-protected phloroglucinol, the facile total syntheses of bioactive natural products pawhuskin C and schweinfurthin J were accomplished in good overall yields. The Heck, Stille, or Suzuki coupling reactions of two different electron-rich phenolic segments bearing geranylated or farnesylated units were involved in the decisive step. The Sonogashira coupling reaction followed by palladium-catalyzed chemo-and stereoselective cis-reduction of an alkyne unit and subsequent isomerization to give the desired natural products is also described.
}, keywords = {geranylated or farnesylated stilbenes, Natural products, palladium-catalyzed coupling reactions, phloroglucinol, Total synthesis}, issn = {0039-7881}, doi = {10.1055/s-0032-1316765}, author = {Singh, Mandeep and N. P. Argade} } @article { ISI:000311324100047, title = {Pd-Catalyzed imine cyclization: synthesis of antimalarial natural products aplidiopsamine A, marinoquinoline A, and their potential hybrid NCLite-M1}, journal = {Organic Letters}, volume = {14}, number = {22}, year = {2012}, month = {NOV}, pages = {5804-5807}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Palladium-catalyzed cyclization of imines has been developed to construct the extremely rare 3H-pyrrolo[2,3-c]quinoline ring system for diversity oriented first total synthesis of antimalarial marine natural product Aplidiopsamine A as well as synthesis of Marinoquinoline A and potential natural product hybrid NCLite-M1.
}, issn = {1523-7060}, doi = {10.1021/ol302676v}, author = {Mahajan, Jyoti P. and Suryawanshi, Yogeshwar R. and Mhaske, Santosh B.} } @article { ISI:000299582200011, title = {Pd-catalyzed selective hydrosilylation of aryl ketones and aldehydes}, journal = {Tetrahedron Letters}, volume = {53}, number = {2}, year = {2012}, month = {JAN}, pages = {148-150}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Pd salts in combination with triethylsilane as hydride source and DMF as solvent has been found to be excellent catalytic combination that selectively reduces aryl ketones and aldehydes under mild conditions to afford triethylsilyloxy compounds in excellent yields. Product selectivity to the respective benzyl alcohols can however be achieved when the reaction was performed in DMF/H2O (4:1) as solvent system. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {aldehydes, Hydrosilylation, Ketones, Palladium, Triethylsilane}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.10.155}, author = {Chouthaiwale, Pandurang V. and Rawat, Varun and Sudalai, Arumugam} } @article { ISI:000297470800009, title = {pH Sensitive graft copolymers for zero order drug release: a mechanistic analysis}, journal = {Drug Development and Industrial Pharmacy}, volume = {38}, number = {1}, year = {2012}, month = {JAN}, pages = {73-83}, publisher = {INFORMA HEALTHCARE}, address = {TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND}, abstract = {
Aliphatic polyesters containing pendent unsaturation were synthesized by the polycondensation of a diol, dicarboxylic acid and glycidyl methacrylate. Grafting methacrylic acid (MAA) resulted in graft copolymers containing polyester backbone and MAA grafts. Depending on composition, the polymers swelled extensively and eroded or dissolved at near neutral pH but remained in collapsed state at acidic pH. Three representative drugs differing in solubility, viz., Diltiazem hydrochloride (DH), Indomethacin (IM) and Verapamil hydrochloride (VH) were released at constant rate from tablets made by compressing spray-dried microparticles. The release of DH at constant rate has been attributed to increase in diffusion coefficient of the drug from the swollen layer of matrix. The release of IM and VH at constant rate was governed by erosion and was enhanced in matrices which undergo dissolution. The release rate was enhanced with increasing MAA content and the frequency of grafts along the polyester backbone. Once a day dosage forms for drugs differing in solubility have been developed using a single polymer matrix which is easy to manufacture.
}, keywords = {Diffusion, erosion, Graft copolymer, matrix tablets, microparticles, spray drying, sustained release}, issn = {0363-9045}, doi = {10.3109/03639045.2011.590991}, author = {Muthusamy, Ramesh and Kulkarni, Mohan Gopalkrishna} } @article { ISI:000303280000009, title = {Photocatalytic degradation of Azo dyes using Au:TiO2, gamma-Fe2O3:TiO2 functional nanosystems}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {12}, number = {2}, year = {2012}, month = {FEB}, pages = {928-936}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
We report photocatalytic degradation studies on Navy Blue HE2R (NB) dye on significant details as a representative from the class of azo dyes using functional nanosystems specifically designed to allow a strong photocatalytic activity. A modified sol-gel route was employed to synthesize Au and gamma-Fe2O3 modified TiO2 nanoparticles (NPs) at low temperature. The attachment strategy is better because it allows clear surface of TiO2 to remain open for photo-catalysis. X-ray diffraction, Raman and UV-VIS spectroscopy studies showed the presence of gold and iron oxide phases along-with the anatase TiO2 phase. TEM studies showed TiO2 nanocomposite particles of size similar to 10-12 nm. A detailed investigation on heterogeneous photocatalytic performance for Navy Blue HE2R dye was done using the as-synthesized catalysts Au:TiO2 and gamma-Fe2O3:TiO2 in aqueous suspension under 8 W low-pressure mercury vapour lamp irradiation. Also, the photocatalytic degradation of Amranth and Orange G azo dyes were studied. The surface modified TiO2 NPs showed significantly improved photocatalytic activity as compared to pure TiO2. Exposure of the dye to the UV light in the presence of pure and gold NPs attached TiO2 catalysts caused dye degradation of about similar to 20\% and similar to 80\%, respectively, in the first couple of hours. In the presence of gamma-Fe2O3 NPs attached TiO2, a remarkable similar to 95\% degradation of the azo dye was observed only in the first 15 min of UV exposure. The process parameters for the optimum catalytic activity are established which lead to a complete decoloration and substantial dye degradation, supported by the values of the Chemical Oxygen Demand (COD) similar to 93\% and Total Organic Carbon (TOC) similar to 65\% of the treated dye solution after 5 hours on the employment of the UV/Au:TiO2/H2O2 photocatalytic process.
}, keywords = {Azo Dye, COD, H2O2, Photocatalysis, TiO2}, issn = {1533-4880}, doi = {10.1166/jnn.2012.5171}, author = {Jagadale, Tushar C. and Kulkarni, Manjusha and Pravarthana, D. and Ramadan, Wegdan and Thakur, Pragati} } @article { ISI:000293570600001, title = {Photocatalytic degradation of phenolics by N-doped mesoporous titania under solar radiation}, journal = {International Journal of Photoenergy}, year = {2012}, month = {MAR}, pages = {Article No. 780562}, publisher = {HINDAWI PUBLISHING CORPORATION}, type = {Article}, address = {410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USA}, abstract = {
In this study, nitrogen-doped mesoporous titania was synthesized by templating method using chitosan. This biopolymer chitosan plays the dual role of acting as a template (which imparts mesoporosity) and precursor for nitrogen. BET-SA, XRD, UV-DRS, SEM, and FTIR were used to characterize the photocatalyst. The doping of nitrogen into TiO2 lattice and its state was substantiated and measured by XPS. The photocatalytic activity of the prepared N-doped mesoporous titania for phenol and o-chlorophenol degradation was investigated under solar and artificial radiation. The rate of photocatalytic degradation was observed to be higher for o-chlorophenol than that of phenol. The photodegradation of o-chlorophenol was 98.62\% and 72.2\%, while in case of phenol, degradation to the tune of 69.25\% and 30.58\% was achieved in solar and artificial radiation. The effect of various operating parameters, namely, catalyst loading, pH, initial concentration and the effect of coexisting ions on the rate of photocatalytic degradation were studied in detail.
}, issn = {1110-662X}, doi = {10.1155/2012/780562}, author = {Mangrulkar, Priti A. and Kamble, Sanjay P. and Joshi, Meenal M. and Meshram, Jyotsna S. and Labhsetwar, Nitin K. and Rayalu, Sadhana S.} } @article { ISI:000305534600005, title = {Photocatalytic degradation of phosphamidon using Ag-doped ZnO nanorods}, journal = {Toxicological and Environmental Chemistry}, volume = {94}, number = {6}, year = {2012}, month = {JAN}, pages = {1075-1085}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
The photocatalytic degradation of the organo-phosphorous pesticide phosphamidon at low concentration in aqueous solution on Ag-doped ZnO nanorods was investigated. Nanosized Ag-doped ZnO rods were synthesized by using a microwave assisted aqueous method. High molecular weight polyvinyl alcohol was used as a stabilizing agent. Composition and structure were investigated using energy-dispersive X-ray spectroscopy (EDAX) and X-ray diffraction (XRD). The XRD pattern reveals that ZnO nanorods are of hexagonal wurtzite structure. The average crystallite size calculated from Scherrer{\textquoteright}s relation was found to be 30 nm. The effects of catalyst loading, pH value, and initial concentration of phosphamidon on the photocatalytic degradation efficiency using Ag-doped ZnO nanorods as a photocatalyst have been discussed. The results revealed that Ag-doped ZnO nanorods with a diameter of 30 nm showed highest photocatalytic activity at a surface density of 1 g dm(-3). The catalyst doped with 0.2 mol\% Ag is effective for the degradation of phosphamidon with visible light. This opens a new possibility to decompose pesticides that are present in wastewater.
}, keywords = {Ag-doped zinc oxide, phosphamidon, Photocatalysis, Photodegradation}, issn = {0277-2248}, doi = {10.1080/02772248.2012.693495}, author = {Korake, Prakash V. and Sridharkrishna, R. and Hankare, P. P. and Garadkar, K. M.} } @article { ISI:000309072800094, title = {Photopatternable nano-composite (SU-8/ZnO) thin films for piezo-electric applications}, journal = {Applied Physics Letters}, volume = {101}, number = {10}, year = {2012}, month = {SEP}, pages = {104102}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Photo-curable nanocomposite material was formulated by embedding ZnO nanoparticles into a SU-8 matrix and studied for its piezoelectric properties for low cost fabrication of self-powered nanodevices. The piezoelectric coefficient of ZnO nanoparticles was observed to be ranging between 15 and 23 pm/V, which is the highest reported. These experimental studies support the recent theoretical predictions where the piezoelectric coefficients in ZnO nanoparticles were found to be higher compared to the thin films because of the surface relaxation induced volume reductions in the nanometer scale. The photo-curable property of these polymer composite films is exploited to demonstrate fabrication of a micro-cantilever test structure. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4748575]
}, issn = {0003-6951}, doi = {10.1063/1.4748575}, author = {Kandpal, Manoj and Sharan, Chandrashekhar and Poddar, Pankaj and Prashanthi, K. and Apte, Prakash R. and Rao, V. Ramgopal} } @article { ISI:000300929600025, title = {Photopolymerization kinetics of 2-phenylethyl (meth) acrylates studied by photo DSC}, journal = {Journal of Polymer Research}, volume = {19}, number = {2}, year = {2012}, month = {JAN}, pages = {9811}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The present work deals with the photopolymerization of 2-phenylethyl (meth)acrylates and estimation of their kinetic parameters. Formulations were made by independently homogenizing the monomers with photoinitiators of two different classes. Two different compositions of photoinitiators were used to study the effect of concentration of photoinitiator on cure kinetics. These compositions obtained were tested for photo curing performance using differential photocalorimetry (DPC) or photo DSC under polychromatic radiation. The heat flow against time was recorded for all formulations under isothermal conditions and the rates of polymerization as well as the percentage conversions were estimated. It was observed that due to a longer timescale for reaction diffusion, the methacrylate formulations showed a higher conversion than acrylate formulations. Other parameters such as induction time, maximum rate and conversion attained as well as the time to attain peak maximum were noted. The photopolymerization and kinetic estimations of the formulations including evaluation of kinetic models are discussed.
}, keywords = {Bimolecular termination model, Photo DSC, Photopolymerization, Variable autocatalytic model}, issn = {1022-9760}, doi = {10.1007/s10965-011-9811-3}, author = {Ghorpade, Ravindra V. and Bhosle, Sonali Madhavrao and Ponrathnam, S. and Rajan, C. R. and Chavan, Nayaku and Harikrishna, Reghunathan} } @article {42516, title = {Photosensitization of nanoparticulate TiO2 using a Re(I)-polypyridyl complex: studies on interfacial electron transfer in the ultrafast time domain}, journal = {Physical Chemistry Chemical Physics}, volume = {14}, year = {2012}, month = {APR}, pages = {8192-8198}, abstract = {
We have synthesized a new photoactive rhenium(I)-complex having a pendant catechol functionality [Re(CO)3Cl(L)] (1) (L is 4-[2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl]benzene-1,2-diol) for studying the dynamics of the interfacial electron transfer between nanoparticulate TiO2 and the photoexcited states of this Re(I)-complex using femtosecond transient absorption spectroscopy. Our steady state absorption studies revealed that complex 1 can bind strongly to TiO2 surfaces through the catechol functionality with the formation of a charge transfer (CT) complex, which has been confirmed by the appearance of a new red-shifted CT band. The longer wavelength absorption band for 1, bound to TiO2 through the proposed catecholate functionality, could also be explained based on the DFT calculations. Dynamics of the interfacial electron transfer between 1 and TiO2 nanoparticles was investigated by studying kinetics at various wavelengths in the visible and near infrared regions. Electron injection into the conduction band of the nanoparticulate TiO2 was confirmed by detection of the conduction band electron in TiO2 (Image ID:c2cp24105f-t1.gif) and the cation radical of the adsorbed dye (1˙+) in real time as monitored by transient absorption spectroscopy. A single exponential and pulse-width limited (\<100 fs) electron injection was observed. Back electron transfer dynamics was determined by monitoring the decay kinetics of 1˙+ and Image ID:c2cp24105f-t2.gif.
}, doi = {10.1039/C2CP24105F}, author = {Kar, Prasenjit and Banerjee, Tanmay and Verma, Sandeep and Sen, Anik and Das, Amitava and Ganguly, Bishwajit and Ghosh, Hirendra N.} } @article { ISI:000311783800011, title = {Phyllocladane diterpenes from anisomeles heyneana}, journal = {Journal of Asian Natural Products Research}, volume = {14}, number = {12}, year = {2012}, month = {NOV}, pages = {1162-1168}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
New phyllocladane diterpene, phyllocladan-16 alpha,17-dihydroxy-19-oic acid (1), together with known phyllocladane diterpene, phyllocladan-16 alpha,19-diol (2), cembrane diterpene ovatodiolide (3), sitosteryl-3-O-beta-D-glucoside (4), and verbascoside (5), were isolated from aerial parts of Anisomeles heyneana. The structure of compound 1 was elucidated by 1D and 2D NMR analyses which included HSQC, HMBC, and nuclear overhauser effect spectroscopy (NOESY) experiments as well as X-ray crystallography. This is the first report of phyllocladane diterpenes from genus Anisomeles. Compounds 1, 3, 4, and 5 were evaluated for inhibition of Mycobacterium tuberculosis and 3 was found to exhibit anti-mycobacterial activity with IC90 6.53 mu g/ml. Compounds 1, 3, and 5, at 100 mu g/ml, were also evaluated for inhibition of Thp-1 cell lines, and compounds 1 and 3 showed 59.02\% and 96.4\% inhibitions, respectively.
}, keywords = {Anisomeles heyneana, Lamiaceae, Mycobacterium tuberculosis, phyllocladane diterpenes}, issn = {1028-6020}, doi = {10.1080/10286020.2012.738672}, author = {Kulkarni, Roshan R. and Shurpali, Ketaki and Gawade, Rupesh L. and Sarkar, Dhiman and Puranik, Vedavati G. and Joshi, Swati P.} } @article { ISI:000307184100001, title = {Phylogenomic analysis of UDP glycosyltransferase 1 multigene family in Linum usitatissimum identified genes with varied expression patterns}, journal = {BMC Genomics}, volume = {13}, year = {2012}, month = {MAY}, pages = {175}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {
Background: The glycosylation process, catalyzed by ubiquitous glycosyltransferase (GT) family enzymes, is a prevalent modification of plant secondary metabolites that regulates various functions such as hormone homeostasis, detoxification of xenobiotics and biosynthesis and storage of secondary metabolites. Flax (Linum usitatissimum L.) is a commercially grown oilseed crop, important because of its essential fatty acids and health promoting lignans. Identification and characterization of UDP glycosyltransferase (UGT) genes from flax could provide valuable basic information about this important gene family and help to explain the seed specific glycosylated metabolite accumulation and other processes in plants. Plant genome sequencing projects are useful to discover complexity within this gene family and also pave way for the development of functional genomics approaches. Results: Taking advantage of the newly assembled draft genome sequence of flax, we identified 137 UDP glycosyltransferase (UGT) genes from flax using a conserved signature motif. Phylogenetic analysis of these protein sequences clustered them into 14 major groups (A-N). Expression patterns of these genes were investigated using publicly available expressed sequence tag (EST), microarray data and reverse transcription quantitative real time PCR (RT-qPCR). Seventy-three per cent of these genes (100 out of 137) showed expression evidence in 15 tissues examined and indicated varied expression profiles. The RT-qPCR results of 10 selected genes were also coherent with the digital expression analysis. Interestingly, five duplicated UGT genes were identified, which showed differential expression in various tissues. Of the seven intron loss/gain positions detected, two intron positions were conserved among most of the UGTs, although a clear relationship about the evolution of these genes could not be established. Comparison of the flax UGTs with orthologs from four other sequenced dicot genomes indicated that seven UGTs were flax diverged. Conclusions: Flax has a large number of UGT genes including few flax diverged ones. Phylogenetic analysis and expression profiles of these genes identified tissue and condition specific repertoire of UGT genes from this crop. This study would facilitate precise selection of candidate genes and their further characterization of substrate specificities and in planta functions.
}, issn = {1471-2164}, doi = {10.1186/1471-2164-13-175}, author = {Barvkar, Vitthal T. and Pardeshi, Varsha C. and Kale, Sandip M. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article { ISI:000312542600011, title = {Phytosynthesis of intracellular and extracellular gold nanoparticles by living peanut plant (Arachis hypogaea L.)}, journal = {Biotechnology and Applied Biochemistry}, volume = {59}, number = {6}, year = {2012}, month = {NOV}, pages = {471-478}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Inorganic nanomaterials of different chemical compositions are conventionally synthesized under harsh environments such as extremes of temperature, pressure, and pH. Moreover, these methods are eco-unfriendly and cumbersome, yield bigger particles, and agglomerate because of not being capped by capping agents. In contrast, biological synthesis of inorganic nanomaterials occurs under ambient conditions, namely room temperature, atmospheric pressure, and physiological pH. These methods are reliable, eco-friendly, and cheap. In this paper, we report for the first time the extracellular and intracellular synthesis of gold nanoparticles (GNPs) using living peanut seedlings. The formed GNPs were highly stable in solution and inside the plant tissue. Transmission electron microscopy revealed that extracellular GNPs distributions were in the form of monodispersed nanoparticles. The nanoparticles ranged from 4 to 6 nm in size. The intercellular nanoparticles were of oval shape and size ranged from 5 to 50 nm. Both extracellular and intracellular nanoparticles were further characterized by standard techniques. The formed GNPs inside the plant tissue were estimated by inductively coupled plasma spectrometry. This opens up an exciting possibility of a plant-based nanoparticle synthesis strategy, wherein the nanoparticles may be entrapped in the biomass in the form of a film or produced in the solution, both of which have interesting applications.
}, keywords = {cells, extracellular, living plant, Peanut, root, TEM}, issn = {0885-4513}, doi = {10.1002/bab.1049}, author = {Raju, Dugyala and Mehta, Urmil J. and Ahmad, Absar} } @article { ISI:000309096400004, title = {Poly(allyl glycidyl ether-co-ethylene glycol dimethacrylate) copolymer beads as support for covalent immobilization of L-aminoacylase}, journal = {Reactive \& Functional Polymers}, volume = {72}, number = {10}, year = {2012}, month = {OCT}, pages = {687-694}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Porous epoxy-activated copolymer beads were synthesized as support for the covalent immobilization of Aspergillus melleus L-aminoacylase. Here, a series of copolymer bead were synthesized using either glycidyl methacrylate (GMA) or ally] glycidyl ether (AGE) as monomer units and ethylene glycol dimethacrylate (EGDM) as cross-linking agent. The effect of monomer used and the effect of amount of cross-linking agent on covalent immobilization of aminoacylase were studied. Furthermore, the effect of porogen on immobilization of aminoacylase was also evaluated. AGE-co-EGDM copolymer beads gave higher binding of aminoacylase than GMA-co-EGDM copolymer beads. AGE-co-EGDM copolymer beads synthesized with lauryl alcohol as porogen and having 150\% cross-linked density (i.e. AGE-(L)-150) gave maximum enzyme binding. Under optimum conditions, AGE-(L)-150 copolymer beads gave about 130 U/g of aminoacylase activity which corresponds to 72.24\% of activity yield. Immobilized aminoacylase showed a broader pH, higher temperature and extended storage stability. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Enzyme immobilization, Epoxy-activated support, L-Aminoacylase}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2012.06.012}, author = {Vaidya, Bhalchandra K. and Ingavle, Ganesh C. and Ponrathnam, S. and Nene, Sanjay N.} } @article { ISI:000310934400049, title = {Polybenzimidazole mediated N-doping along the inner and outer surfaces of a carbon nanofiber and its oxygen reduction properties}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {44}, year = {2012}, month = {NOV}, pages = {23668-23679}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Nitrogen-doped (N-doped) hollow carbon nanofiber (CNF) was synthesized by incorporating a nitrogen containing polymer precursor, polybenzimidazole (PBI-BuI), in the inner cavity as well as on the outer walls of the CNF, followed by a high temperature treatment. PBI-BuI incorporation along the inner and outer surface of the CNF was accomplished by synthesizing a low molecular weight polymer by tuning the synthetic parameters. The solution concentration of the PBI-BuI is also varied to facilitate its entry into the CNF by capillary action. The high temperature treatment (700-1000 degrees C) of the resulting CNF-PBI material decomposes the polymer and induces N-doping along the inner and outer surfaces of the CNF. The initial PBI-BuI content and the annealing temperature are also systematically varied to choose the right combination of starting precursors and heat-treatment conditions. Detailed X-ray photoelectron spectroscopy analysis of the samples shows that pyridinic-type nitrogen is the major component in all the samples. Electrochemical characterizations of this material using cyclic voltammetry, rotating disc electrode studies and durability analysis demonstrated that this material can act as a metal-free oxygen reduction electrocatalyst with improved oxygen reduction kinetics and stability. It is also revealed that the onset potential, limiting current density, number of transferred electrons, etc. have a strong dependence on the annealing temperature.
}, issn = {0959-9428}, doi = {10.1039/c2jm35033e}, author = {Balan, Beena K. and Manissery, Aiswarya Padinhare and Chaudhari, Harshal D. and Kharul, Ulhas K. and Kurungot, Sreekumar} } @article { ISI:000300529100034, title = {Polymeric ionic liquids (PILs): effect of anion variation on their CO2 sorption}, journal = {Journal of Membrane Science}, volume = {389}, year = {2012}, month = {FEB}, pages = {305-315}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A series of polymeric ionic liquids (PILs) based on poly(diallyldimethylammonium chloride), P[DADMA][Cl] as a precursor was investigated by varying anions categorized into carboxylates, sulphonates and inorganic type. For the exchange of chloride from P[DADMA][Cl] by another anion, silver salt of the corresponding anion was preferred. Obtained PILs were investigated for physical properties which are anticipated to affect gas sorption. PILs possessing carboxylate (especially acetate) anion exhibited attractive CO2 sorption capacity as well as sorption selectivity over H-2 and N-2, in Comparison to Other two Categories. PIL with acetate anion, P[DADMA][Ac] possessed appreciable CO2 sorption coupled with high selectivity (S-CO2/S-N2 = 114.3). This crucial finding from this series of PILs was further substantiated by making PIL based on poly(vinylbenzyltrimethylammonium chloride), P[VBTMA][Cl] as a precursor. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Anion exchange, CO2 sorption, Polymeric ionic liquid}, issn = {0376-7388}, doi = {10.1016/j.memsci.2011.10.042}, author = {Bhavsar, Rupesh S. and Kumbharkar, Santosh C. and Kharul, Ulhas K.} } @article { ISI:000303366000001, title = {Polymorphs, salts, and cocrystals: what{\textquoteright}s in a name?}, journal = {Crystal Growth \& Design}, volume = {12}, number = {5}, year = {2012}, month = {MAY}, pages = {2147-2152}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The December 2011 release of a draft United States Food and Drug Administration (FDA) guidance concerning regulatory classification of pharmaceutical cocrystals of active pharmaceutical ingredients (APIs) addressed two matters of topical interest to the crystal engineering and pharmaceutical science communities: (1) a proposed definition of cocrystals; (2) a proposed classification of pharmaceutical cocrystals as dissociable {\textquoteleft}{\textquoteleft}API-excipient{\textquoteright}{\textquoteright} molecular complexes. The Indo U.S. Bilateral Meeting sponsored by the Indo-U.S. Science and Technology Forum titled The Evolving Role of Solid State Chemistry in Pharmaceutical Science was held in Manesar near Delhi, India, from February 2-4, 2012. A session of the meeting was devoted to discussion of the FDA guidance draft. The debate generated strong consensus on the need to define cocrystals more broadly and to classify them like salts. It was also concluded that the diversity of API crystal forms makes it difficult to classify solid forms into three categories that are mutually exclusive. This perspective summarizes the discussion in the Indo-U.S. Bilateral Meeting and includes contributions from researchers who were not participants in the meeting.
}, issn = {1528-7483}, doi = {10.1021/cg3002948}, author = {Aitipamula, Srinivasulu and Banerjee, Rahul and Bansal, Arvind K. and Biradha, Kumar and Cheney, Miranda L. and Choudhury, Angshuman Roy and Desiraju, Gautam R. and Dikundwar, Amol G. and Dubey, Ritesh and Duggirala, Nagakiran and Ghogale, Preetam P. and Ghosh, Soumyajit and Goswami, Pramod Kumar and Goud, N. Rajesh and Jetti, Ram R. K. R. and Karpinski, Piotr and Kaushik, Poonam and Kumar, Dinesh and Kumar, Vineet and Moulton, Brian and Mukherjee, Arijit and Mukherjee, Gargi and Myerson, Allan S. and Puri, Vibha and Ramanan, Arunachalam and Rajamannar, T. and Reddy, C. Malla and Rodriguez-Hornedo, Nair and Rogers, Robin D. and Row, T. N. Guru and Sanphui, Palash and Shan, Ning and Shete, Ganesh and Singh, Amit and Sun, Changquan C. and Swift, Jennifer A. and Thaimattam, Ram and Thakur, Tejender S. and Thaper, Rajesh Kumar and Thomas, Sajesh P. and Tothadi, Srinu and Vangala, Venu R. and Variankaval, Narayan and Vishweshwar, Peddy and Weyna, David R. and Zaworotko, Michael J.} } @article { ISI:000306942300059, title = {Polymorphs, salts and cocrystals: what{\textquoteright}s in a name? (vol 12, pg 2147, 2012)}, journal = {Crystal Growth \& Design}, volume = {12}, number = {8}, year = {2012}, month = {AUG}, pages = {4290-4291}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {1528-7483}, doi = {10.1021/cg300704b}, author = {Aitipamula, Srinivasulu and Banerjee, Rahul and Bansal, Arvind K. and Biradha, Kumar and Cheney, Miranda L. and Choudhury, Angshuman Roy and Desiraju, Gautam R. and Dikundwar, Amol G. and Dubey, Ritesh and Duggirala, Nagakiran and Ghogale, Preetam P. and Ghosh, Soumyajit and Goswami, Pramod Kumar and Goud, N. Rajesh and Jetti, Ram R. K. R. and Karpinski, Piotr and Kaushik, Poonam and Kumar, Dinesh and Kumar, Vineet and Moulton, Brian and Mukherjee, Arijit and Mukherjee, Gargi and Myerson, Allan S. and Puri, Vibha and Ramanan, Arunachalam and Rajamannar, T. and Reddy, C. Malla and Rodriguez-Hornedo, Nair and Rogers, Robin D. and Row, T. N. Guru and Sanphui, Palash and Shan, Ning and Shete, Ganesh and Singh, Amit and Sun, Changquan C. and Swift, Jennifer A. and Thaimattam, Ram and Thakur, Tejender S. and Thaper, Rajesh Kumar and Thomas, Sajesh P. and Tothadi, Srinu and Vangala, Venu R. and Vishweshwar, Peddy and Weyna, David R. and Zaworotko, Michael J.} } @article { ISI:000311522500055, title = {Porous ZnO nanorod for targeted delivery of doxorubicin: in vitro and in vivo response for therapeutic applications}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {45}, year = {2012}, month = {DEC}, pages = {24145-24154}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Cancer cell specific targeted delivery (TDD) by porous nanocarrier is on a high role. Here in a simple route for the synthesis of porous ZnO nanorods (ZnO) has been demonstrated. ZnO expressed very high surface area of 305.14 m(2) g(-1) (S-BET) and uniformly distributed pores of 5 nm. In continuation ZnO has been fabricated with 3-aminophosphonic acid followed by folic acid to yield folate conjugated porous ZnO nanorod (ZnO-FA). High surface area, uniformly distributed pores on its surface make the nanocarrier suitable for high drug loading (88\%) of the anticancer drug doxorubicin (DOX). A pH triggered drug release was observed with minimum release in pathophysical conditions. In vitro efficacy of DOX loaded ZnO-FA (ZnO-FA-DOX) has been evaluated against breast cancer cells MDA-MB-231, which is not possible alone by DOX or ZnO-FA. Targeted scaffold with pendant -NH2 group has been covalently bonded with fluorescent dye (RITC) for cellular uptake and imaging studies in MDA-MB-231 cells; the possible pathway for cancer regression has also been evaluated. Even in vivo acute and intravenous toxicological evaluation on murine model system complemented biocompatibility of ZnO-FA in TDD. All together we have collaged a template free synthesis of porous ZnO nanorod, successful targeting on to cancer cells, high drug loading, pH triggered drug release, in vitro efficacy of ZnO-FA-DOX against MDA-MB-231 cells and in vivo compatibility as well. We envisioned the future prospect of porous ZnO nanostructures in TDD.
}, issn = {0959-9428}, doi = {10.1039/c2jm35013k}, author = {Mitra, Shouvik and Subia, B. and Patra, Prasun and Chandra, Sourov and Debnath, Nitai and Das, Sumistha and Banerjee, Rahul and Kundu, Subhas C. and Pramanik, Panchanan and Goswami, Arunava} } @article { ISI:000306324500011, title = {Potential use of nitrate reductase as a biomarker for the identification of active and dormant inhibitors of mycobacterium tuberculosis in a THP1 infection model}, journal = {Journal of Biomolecular Screening}, volume = {17}, number = {7}, year = {2012}, month = {AUG}, pages = {966-973}, publisher = {SAGE PUBLICATIONS INC}, address = {2455 TELLER RD, THOUSAND OAKS, CA 91320 USA}, abstract = {
The development of a macrophage-based, antitubercular high-throughput screening system could expedite discovery programs for identifying novel inhibitors. In this study, the kinetics of nitrate reduction (NR) by Mycobacterium tuberculosis during growth in Thp1 macrophages was found to be almost parallel to viable bacilli count. NR in the culture medium containing 50 mM of nitrate was found to be optimum on the fifth day after infection with M. tuberculosis. The signal-to-noise (S/N) ratio and Z-factor obtained from this macrophage-based assay were 5.4 and 0.965, respectively, which confirms the robustness of the assay protocol. The protocol was further validated by using standard antitubercular inhibitors such as rifampicin, isoniazid, streptomycin, ethambutol, and pyrazinamide, added at their IC90 value, on the day of infection. These inhibitors were not able to kill the bacilli when added to the culture on the fifth day after infection. Interestingly, pentachlorophenol and rifampicin killed the bacilli immediately after addition on the fifth day of infection. Altogether, this assay protocol using M. tuberculosis-infected Thp-1 macrophages provides a novel, cost-efficient, robust, and easy-to-perform screening platform for the identification of both active and hypoxic stage-specific inhibitors against tuberculosis.
}, keywords = {high-throughput screening, inhibitor, Mycobacterium tuberculosis, nitrate reductase, THP1}, issn = {1087-0571}, doi = {10.1177/1087057112445485}, author = {Sarkar, Sampa and Sarkar, Dhiman} } @article {42447, title = {Practical and general diels-alder reaction of pentafulvenes with arynes}, journal = {Organic Letters}, volume = {14}, year = {2012}, month = {AUG}, pages = {4098{\textendash}4101}, abstract = {
A high-yielding, versatile and practical Diels{\textendash}Alder reaction of pentafulvenes with arynes under mild reaction conditions is reported. The aryne generated by the fluoride induced 1,2-elimination of 2-(trimethylsilyl)aryl triflates undergoes efficient cycloaddition with 6-substituted and 6,6-disubstituted pentafulvenes leading to the formation of benzonorbornadiene derivatives.
}, doi = {10.1021/ol301742k}, author = {Bhojgude, Sachin Suresh and Kaicharla, Trinadh and Bhunia, Anup and Biju, Akkattu T.} } @article { ISI:000309634900001, title = {Practical and highly efficient protocol for multicomponent synthesis of beta-phosphonomalononitriles and 2-amino-4H-chromen-4-yl phosphonates using diethylamine as a novel organocatalyst}, journal = {Comptes Rendus Chimie}, volume = {15}, number = {9}, year = {2012}, month = {SEP}, pages = {745-752}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
Diethylamine has been demonstrated for the first time to be a highly efficient organocatalyst in the solvent-free synthesis of beta-phosphonomalononitriles by a three component condensation of aldehyde, malononitrile and dialkyl phosphite at ambient temperature. The applicability of the same catalyst in the synthesis of diethyl (2-amino-3-cyano-chromene-4-yl) phosphonic acid esters has also been described. (c) 2012 Published by Elsevier Masson SAS on behalf of Academie des sciences.
}, keywords = {2-amino-4H-chromenes, beta-phosphonomalononitriles, diethylamine, multicomponent reactions, organocatalyst, Phospha-Michael reaction}, issn = {1631-0748}, doi = {10.1016/j.crci.2012.07.001}, author = {Kulkarni, M. A. and Pandurangi, V. R. and Desai, Uday V. and Wadgaonkar, P. P.} } @article { ISI:000300339800033, title = {Practical syntheses of proposed and revised manzacidin B and their congeners}, journal = {Organic Letters}, volume = {14}, number = {4}, year = {2012}, month = {FEB}, pages = {1082-1085}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A concise and highly stereoselective total synthesis of manzacidin B and its congeners has been developed following chelation-controlled syn-epoxidation and Lewis acid catalyzed intramolecular regioselective epoxide ring opening to generate the quarternary amine center. Elaboration of the triol moiety to the target molecule was achieved in good overall yield, representing practical total syntheses of manzacidin B and its congeners. From the XRD, NMR, and analytical data, the correct structure of natural manzacidin B, (4R,5R,6R)-6, was confirmed.
}, issn = {1523-7060}, doi = {10.1021/ol203466m}, author = {Sankar, Kuppusamy and Rahman, Hasibur and Das, Pragna P. and Bhimireddy, Eswar and Sridhar, B. and Mohapatra, Debendra K.} } @article { ISI:000308300700010, title = {Prediction of structure and energy of trans-1,4-polybutadiene glassy surface by atomistic simulations of free-standing ultrathin films}, journal = {Journal of Macromolecular Science Part B-Physics}, volume = {51}, number = {11}, year = {2012}, month = {MAR}, pages = {2201-2221}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Atomistic modeling of amorphous trans-1,4-polybutadiene (TPBD), using molecular mechanics and molecular dynamics (MD) simulations, is performed to generate three-dimensionally periodic bulk and two-dimensionally periodic thin film condensed phases. The condensed structures are constructed using multiple polymer chains. Structural and energetic relaxations and sampling of properties are performed using MD in the canonical ensemble (NVT) by a procedure that relieves local high-energy spots and brings the system to realistic thermodynamic states. The calculated surface energy for TPBD, 30.72 erg/cm(2), is in excellent agreement with the reported experimental value of 31 erg/cm(2). The structure of the surface layers is probed in terms of the atomic mass density variations, bond-bond orientation function profiles, and the distribution of the dihedral angles about the rotatable backbone bonds. The thickness of the surface layer over which the density varies smoothly but rapidly is found to be approximately 15 angstrom. The level of agreement of the calculated surface energy with the experimental value is superior in comparison to previous investigations in the literature using the atomistic approach for flexible polymers.
}, keywords = {4-polybutadiene, atomistic simulation, bond-orientation, Conformation, molecular dynamics, polymer glass, surface energy, trans-1}, issn = {0022-2348}, doi = {10.1080/00222348.2012.669683}, author = {Ijantkar, Ashwini S. and Natarajan, Upendra} } @article { ISI:000310901200014, title = {Preferential oxidation of CO on Ni/CeO2 catalysts in the presence of excess H-2 and CO2}, journal = {Reaction Kinetics Mechanisms and Catalysis}, volume = {107}, number = {2}, year = {2012}, month = {DEC}, pages = {405-419}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Preferential oxidation of CO (CO-PROX) was carried out over Ni supported on CeO2 prepared by the co-precipitation method. The influence of metal loadings (2.5, 5 and 10 wt.\% Ni) and the reaction conditions such as reaction temperature and feed composition on CO oxidation and oxidation selectivity were evaluated by using dry reformate gas. No other reactions like CO or CO2 methanation, coking, reverse water gas shift (RWGS) reaction is observed in the temperature range of 100-200 A degrees C on these catalysts. Hydrogen oxidation dominates over CO oxidation above the temperature of 200 A degrees C. An increase in oxygen leads to an increase in CO conversion but a simultaneous decrease in the O-2 selectivity. It has been noticed that 5 and 10 \% Ni/CeO2 show better catalytic activity towards CO-PROX reaction. These catalysts were characterized by S-BET, XRD, TEM, XPS and H-2-TPR.
}, keywords = {CeO2, CO-PROX, fuel cells, Methanation, Ni}, issn = {1878-5190}, doi = {10.1007/s11144-012-0477-6}, author = {Malwadkar, Sachin S. and Bera, Parthasarathi and Hegde, M. S. and Satyanarayana, C. V. V.} } @article { ISI:000314801600002, title = {Preparation and characterization of calcium silicate for CO2 sorption}, journal = {Adsorption Science \& Technology}, volume = {30}, number = {10}, year = {2012}, month = {DEC}, pages = {817-830}, publisher = {MULTI-SCIENCE PUBL CO LTD}, address = {5 WATES WAY, BRENTWOOD CM15 9TB, ESSEX, ENGLAND}, abstract = {
An attempt has been made to develop different samples of calcium silicate and to screen these samples for CO2 sorption and alkalinity in order to achieve maximum CO2 sorption. The CO2 sorption capacity of these samples was examined at different temperatures. Various methods such as solid-solid fusion, sol-gel, molten salt and templates (CTAB, cetyltrimethylammonium bromide or Aliquat 336, tricaprylmethylammonium chloride) were used to prepare the calcium silicate samples. The solid mass of calcium silicate samples were obtained by calcining the solid product obtained in an atmosphere of air or helium at 900 degrees C for 3 hours. The calcium silicate samples were characterized for surface area, alkalinity, scanning electron microscopic images and X-ray diffraction patterns. The temperature profile of CO2 sorption by calcium silicate was studied in the temperature range of 40-850 degrees C. Our results showed that the alkalinity and surface area of calcium silicate were in the range from 2.35 to 20 mmol g(-1) and 1.4 to 10 m(2) g(-1), respectively. The sorption of CO2 at 500 degrees C over calcium silicate for the different Ca/Si mol ratio (range: 1-6) was found to be in the range from 3.12 to 29.96 wt\%. Addition of a promoter such as sodium, potassium, caesium and lanthanum was found to enhance the sorption of CO2 by calcium silicate. Several samples of different mol ratios of Ca/Si prepared by different methods were tested for the sorption of CO2 at 500 degrees C.
}, issn = {0263-6174}, doi = {10.1260/0263-6174.30.10.817}, author = {Kale, Kishor B. and Raskar, Reshma Y. and Rane, Vilash H. and Gaikwad, Abaji G.} } @article { ISI:000300036000006, title = {Preparation of cross-linked enzyme aggregates of L-aminoacylase via co-aggregation with polyethyleneimine}, journal = {Journal of Molecular Catalysis B-Enzymatic}, volume = {74}, number = {3-4}, year = {2012}, month = {FEB}, pages = {184-191}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
L-Aminoacylase from Aspergillus melleus was co-aggregated with polyethyleneimine and subsequently cross-linked with glutaraldehyde to obtain aminoacylase-polyethyleneimine cross-linked enzyme aggregates (termed as AP-CLEA). Under the optimum conditions, AP-CLEA expressed 74.9\% activity recovery and 81.2\% aggregation yield. The said method of co-aggregation and cross-linking significantly improved the catalytic stability of L-aminoacylase with respect to temperature and storage. AP-CLEA were employed for enantioselective synthesis of three unnatural amino acids (namely: phenylglycine, homophenylalanine and 2-naphthylalanine) via chiral resolution of their ester-. amide- and N-acetyl derivatives. The enantioselectivity of AP-CLEA was the highest for hydrolysis of amino acid amides; was moderate for hydrolysis of N-acetyl amino acids and was the least for hydrolysis of amino acid esters. Furthermore, AP-CLEA were found to retain more than 92\% of the initial activity after five consecutive batches of (RS)-homophenylalanine hydrolysis suggesting an adequate operational stability of the biocatalyst. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {chiral resolution, Cross-linked enzyme aggregates, L-Aminoacylase, Polyethyleneimine, Unnatural amino acids}, issn = {1381-1177}, doi = {10.1016/j.molcatb.2011.10.003}, author = {Vaidya, Bhalchandra K. and Kuwar, Suyog S. and Golegaonkar, Sandeep B. and Nene, Sanjay N.} } @article { ISI:000300467100007, title = {Preparation of pure methyl esters from corresponding alkali metal salts of carboxylic acids using carbon dioxide and methanol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {4}, year = {2012}, month = {FEB}, pages = {1498-1505}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In the present article, for the first time, we report the synthesis of alkyl esters by direct esterification of alkali metal salts of carboxylic acids using carbon dioxide and alcohol. Methyl acetate, methyl benzoate, methyl salicylate, and methyl lactate have been synthesized by esterification of sodium acetate, sodium benzoate, sodium salicylate, and calcium lactate, respectively. The esterification reaction was carried out in a batch as well as in a semicontinuous mode of operation. A detailed study on the esterification of calcium lactate using methanol and carbon dioxide was carried out to record the effects of various operating parameters (like CO2 pressure, reaction temperature, moisture content in the calcium lactate, and initial concentrations of calcium lactate) on the esterification reaction. This synthesis route produces highly pure methyl lactate by direct esterification of calcium lactate with calcium carbonate as byproduct. The byproduct calcium carbonate was characterized for its crystallinity, surface area, and pore volume. The process route has the advantage that the synthesized byproduct can be recycled into the fermenter to make corresponding alkali metal lactate or the finely precipitated calcium carbonate can be used for various other applications. Thus, the recovery and recycle of alkali metal is possible providing a pollution free process for synthesis of pure methyl lactate.
}, issn = {0888-5885}, doi = {10.1021/ie200632v}, author = {Barve, Prashant P. and Kamble, Sanjay P. and Joshi, Jyeshtharaj B. and Gupte, Milind Y. and Kulkarni, Bhaskar D.} } @article { ISI:000311072800004, title = {Preparation of spherical particles of 1,1-diamino-2,2-dinitroethene (FOX-7) using a micellar nanoreactor}, journal = {Organic Process Research \& Development}, volume = {16}, number = {11}, year = {2012}, month = {NOV}, pages = {1711-1716}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The need and preparation of spherical 1,1-diamino-2,2-dinitroethene (FOX-7) particles to meet certain special applications in high explosives and propellant formulation have been illustrated. Preparation of spherical FOX-7 particles by using a microemulsion technique has not been reported in the literature. In the present study, the preparation of spherical FOX-7 particles has been described using the novel concept of a micelle-based nanoreactor. Micelle-based nanoreactors have been prepared using a microemulsion of Triton X-100, cyclohexane, and water. Formation of spherical FOX-7 particles in the reverse micelle reactors have been described in the subsequent sections of this article. It is observed that spherical particles of FOX-7 are formed within 2 h in the microemulsion media. Analysis of the experimental results revealed that the particle size and shape of FOX-7 can be varied by changing the water/surfactant molar ratio in the microemulsion. Spherical particles synthesized by this method have diameters that are generally in the submicrometer to nanometer range. Impact sensitivity (h(50)) of the spherical particles obtained by the fall-hammer method is around 45 cm compared to regular synthesized FOX-7 (i.e., 50 +/- 5 cm) without any change in friction sensitivity, i.e. 36 kg. Loadability of the explosive charges can be enhanced by using these spherical particles of FOX-7.
}, issn = {1083-6160}, doi = {10.1021/op200386u}, author = {Mandal, Alok Kumar and Thanigaivelan, U. and Pandey, Raj Kishore and Asthana, Srinandan and Khomane, Ramdas B. and Kulkarni, Bhaskar Dattatraya} } @article { ISI:000308099200029, title = {Preparative separation of alpha- and beta-santalenes and (Z)-alpha- and (Z)-beta-santalols using silver nitrate-impregnated silica gel medium pressure liquid chromatography and analysis of sandalwood oil}, journal = {Analyst}, volume = {137}, number = {19}, year = {2012}, month = {MAY}, pages = {4564-4570}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The major sesquiterpene constituents of East-Indian sandalwood oil (Z)-alpha- and (Z)-beta-santalols have shown to be responsible for most of the biological activities and organoleptic properties of sandalwood oil. The work reported here describes the strategic use of medium pressure liquid chromatography (MPLC) for the separation of both alpha- and beta-santalenes and (Z)-alpha- and (Z)-beta-santalols. Silver nitrate impregnated silica gel was used as the stationary phase in MPLC for quantitative separation of alpha- and beta-santalenes and (Z)-alpha- and (Z)-beta-santalols with mobile phases hexane and dichloromethane, respectively. The purities of alpha-santalene and (Z)-alpha-santalol obtained were \>96\%; however, beta-santalene and (Z)-beta-santalol were obtained with their respective inseparable epi-isomers. Limits of quantification (LoQ) relative to the FID detector were measured for important sesquiterpene alcohols of heartwood oil of S. album using serial dilutions of the standard stock solutions and demonstrated that the quality of the commercial sandalwood oil can be assessed for the content of individual sesquiterpene alcohols regulated by Australian Standard (AS2112-2003), International Organization for Standardization ISO 3518: 2002 (E) and European Union (E. U.).
}, issn = {0003-2654}, doi = {10.1039/c2an35575b}, author = {Daramwar, Pankaj P. and Srivastava, Prabhakar Lal and Priyadarshini, Balaraman and Thulasiram, Hirekodathakallu V.} } @article { ISI:000300474900013, title = {Probing influence of mesophasic transformation on performance of self-emulsifying system: effect of ion}, journal = {Molecular Pharmaceutics}, volume = {9}, number = {2}, year = {2012}, month = {FEB}, pages = {318-324}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Self-emulsifying systems are mixtures of oils and surfactants, ideally isotropic, sometimes including cosolvents, which emulsify under conditions of gentle agitation, similar to those which would be encountered in the gastrointestinal tract. The process of self-emulsification has remained the center of attraction for most researchers. Controlled hydration of self-emulsifying systems shows formation of an intermediate gel phase which upon rupture forms an emulsion. Current work was undertaken to understand and explore the microstructural properties of intermediate gel phase which are believed to influence the performance (droplet size) of the final formulation. The effect of additives on microstructural properties of intermediate gel phase has also been investigated. Microstructural elucidation of hydrated samples of intermediate regimes was done by using techniques such as small angle X-ray scattering, differential scanning calorimetry and rheology. Samples from intermediate regimes showed formation of local lamellar structure which swelled with hydration. In the present work, the effect of addition of salt form of naproxen (sodium and potassium) and naproxen (base) on microstructural properties of intermediate regimes was investigated. Systems containing naproxen salts formed larger droplets whereas naproxen base formed smaller ones. Microstructural properties of intermediate lamellar structures were well correlated with performance of the final formulation. The current studies indicate that by controlling the properties of intermediate regimes optimized formulations with desired performance can be tailor-made.
}, keywords = {emulsion, lamellar structure, liquid crystal, Microstructure, Naproxen, self-emulsifying system}, issn = {1543-8384}, doi = {10.1021/mp200541r}, author = {Patil, Sharvil S. and Venugopal, Edakkal and Bhat, Suresh K. and Mahadik, Kakasaheb R. and Paradkar, Anant R.} } @article { ISI:000313767800044, title = {Probing the mechanism of baylis-hillman reaction in ionic liquids}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {19}, year = {2012}, month = {OCT}, pages = {8775-8779}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The kinetic data for a Baylis-Hillman reaction in certain ionic liquids possessing ethylsulfate anion [EtSO4](-) demonstrate that the rate determining step (RIDS) is second order in aldehyde, but first order in acrylate and DABCO. This observation is similar to the one made by McQuade et al., who carried out this reaction in an aprotic polar solvent like DMSO. However, this is in contrast to the general observation that ADS is first order in aldehyde, acrylate, and DABCO in organic solvents.
}, issn = {0022-3263}, doi = {10.1021/jo301348k}, author = {Singh, Anshu and Kumar, Anil} } @article { ISI:000303921600036, title = {Probing thermal interactions of ionic liquids with dimethyl sulfoxide}, journal = {Chemphyschem}, volume = {13}, number = {7, SI}, year = {2012}, month = {MAY}, pages = {1927-1933}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Interactions between ionic liquids and dimethyl sulfoxide (DMSO) are probed by isothermal titration calorimetry. The excess partial molar enthalpies of ionic liquids H-IL(E) in DMSO are discussed in terms of solutesolvent interactions. The specific interaction theory originally developed by Pitzer is used to analyze the apparent molar enthalpy phi(L) of ionic liquids in DMSO with the help of ion-interaction parameters. Furthermore, quantitative information on solvent reorganization and clathrate formation is obtained and interpreted.
}, keywords = {calorimetry, dimethyl sulfoxide, ionic liquids, solvent effects, thermochemistry}, issn = {1439-4235}, doi = {10.1002/cphc.201100821}, author = {Rai, Gitanjali and Kumar, Anil} } @article { ISI:000306585900004, title = {Production, purification, and characterization of a beta-glucosidase of penicillium funiculosum NCL1}, journal = {Applied Biochemistry and Biotechnology}, volume = {167}, number = {5}, year = {2012}, month = {JUL}, pages = {959-972}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
Penicillium funiculosum NCL1, a filamentous fungus, produced significantly higher levels of beta-glucosidase. The effect of initial pH, incubation temperature, and different carbon sources on extracellular beta-glucosidase production was studied in submerged fermentation. At 30 A degrees C with initial pH 5.0, enzyme production was increased by 48-fold upon induction with paper mill waste, as compared to commercial cellulose powder. In zymogram analysis, four isoforms of beta-glucosidases were observed with wheat bran whereas a minimum of one isoform was observed with other carbon sources. A major beta-glucosidase (Bgl3A) with the apparent molecular weight of similar to 120 kDa, induced by paper mill waste, was purified 19-fold to homogeneity, with a specific activity of 1,796 U/mg. Bgl3A was a monomeric glycoprotein with 29\% of neutral carbohydrate content. It showed optimum activity at pH 4.0 and 5.0, optimum temperature at 60 A degrees C, and exhibited a half-life of 1 h at 60 A degrees C. K (m) of Bgl3A was found to be 0.057 mM with p-nitrophenyl beta-d-glucoside and V (max) was 1,920 U/mg. The purified enzyme exhibited glucose tolerance with a K (i) of 1.5 mM. Bgl3A readily hydrolyzed glucosides with beta-linkage. Bgl3A activity was enhanced (156\%) by Zn2+ and was not affected by other metal cations and reagents. The supplementation of Bgl3A (5 U/mg) with Trichoderma reesei cellulase complex (5 FPU/mg) resulted in about 70\% of enhanced glucose production, which emphasizes the industrial importance of Bgl3A.
}, keywords = {beta-Glucosidase, Paper mill waste, Penicillium funiculosum NCL1, Purification, Thermostability}, issn = {0273-2289}, doi = {10.1007/s12010-012-9645-4}, author = {Ramani, Gurusamy and Meera, Balasubramanian and Vanitha, Chinnathambi and Rao, Mala and Gunasekaran, Paramasamy} } @article { ISI:000311925900060, title = {Proteome profiling of flax (linum usitatissimum) seed: characterization of functional metabolic pathways operating during seed development}, journal = {Journal of Proteome Research}, volume = {11}, number = {12}, year = {2012}, month = {DEC}, pages = {6264-6276}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Flax (Linum usitatissimum L.) seeds are an important source of food and feed due to the presence of various health promoting compounds, making it a nutritionally and economically important plant. An in-depth analysis of the proteome of developing flax seed is expected to provide significant information with respect to the regulation and accumulation of such storage compounds. Therefore, a proteomic analysis of seven seed developmental stages (4, 8, 12, 16, 22, 30, and 48 days after anthesis) in a flax variety, NL-97 was carried out using a combination of ID-SDS-PAGE and LC-MSE methods. A total 1716 proteins were identified and their functional annotation revealed that a majority of them were involved in primary metabolism, protein destination, storage and energy. Three carbon assimilatory pathways appeared to operate in flax seeds. Reverse transcription quantitative PCR of selected 19 genes was carried out to understand their roles during seed development. Besides storage proteins, methionine synthase, RuBisCO and S-adenosylmethionine synthetase were highly expressed transcripts, highlighting their importance in flax seed development. Further, the identified proteins were mapped onto developmental seed specific expressed sequence tag (EST) libraries of flax to obtain transcriptional evidence and 81\% of them had detectable expression at the mRNA level. This study provides new insights into the complex seed developmental processes operating in flax.
}, keywords = {alpha-linolenic acid, carbon flux, Digital expression analysis, flax seed development, MSE, secoisolariciresinol diglucoside}, issn = {1535-3893}, doi = {10.1021/pr300984r}, author = {Barvkar, Vitthal T. and Pardeshi, Varsha C. and Kale, Sandip M. and Kadoo, Narendra Y. and Giri, Ashok P. and Gupta, Vidya S.} } @article { ISI:000298860100004, title = {Proteomic analysis of glycated proteins from streptozotocin-induced diabetic rat kidney}, journal = {Molecular Biotechnology}, volume = {50}, number = {1}, year = {2012}, month = {JAN}, pages = {28-38}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
Glycation of proteins leading to formation of advanced glycation end products (AGEs) has been considered as one of the important causes of diabetic nephropathy. Therefore, in this study, glycated proteins were detected by anti-AGE antibodies from kidney of streptozotocin-induced diabetic rat showing nephropathic symptoms, by using two dimensional electrophoresis and western blot analysis. These glycated proteins were identified and characterized by using combination of peptide mass finger printing and tandem mass spectrometric approaches. Glycated proteins identified included proteins from metabolic pathways, oxidative stress, cell signaling, and transport. Several of the proteins modified by glycation were involved in glucose metabolism. The extent of glycation was higher in diabetes compared to control, in the glycated proteins that were common to both control and diabetic kidney. Two dimensional electrophoresis proteins profiling of glycated proteins suggest that four of the glycated proteins were significantly up regulated in diabetes.
}, keywords = {AGE, Diabetes, Glucose toxicity, Nephropathy, Post-translation modification}, issn = {1073-6085}, doi = {10.1007/s12033-011-9409-3}, author = {Chougale, Ashok D. and Bhat, Shweta P. and Bhujbal, Swapnil V. and Zambare, Mandar R. and Puntambekar, Shraddha and Somani, Rahul S. and Boppana, Ramanamurthy and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article { ISI:000306146400006, title = {Purification and biochemical characterization of endoglucanase from Penicillium pinophilum MS 20}, journal = {Indian Journal of Biochemistry \& Biophysics}, volume = {49}, number = {3}, year = {2012}, month = {JUN}, pages = {189-194}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
Cellulases find increasing prominence in sustainable production of fuel and feedstock from lignocellulosic biomass. The purification and biochemical characterization of individual components of cellulase complex is important to understand the mechanism of their action for the solubilization of crystalline cellulose. In this study, an extra-cellular endoglucanase isolated from culture filtrate of Penicillium pinophilum MS 20 was purified to homogeneity by ammonium sulphate precipitation, ion-exchange chromatography and gel filtration. The purified endoglucanase (specific activity 69 U/mg) was a monomeric protein with molecular mass of 42 kDa, as determined by SDS-PAGE. The endoglucanase was active over a broad range of pH (4-7) with maximum activity at pH 5 and showed optimum temperature of 50 degrees C. It retained 100\% activity at 50 degrees C for 6 h and half- lives of 4 h and 3 h at 60 degrees C and 70 degrees C, respectively. The kinetic constants for the endoglucanase determined with carboxymethyl cellulose as substrate were V-max of 72.5 U/mg and apparent K-m of 4.8 mg/ml. The enzyme also showed moderate activity towards H3PO4 swollen cellulose and p-nitrophenyl beta-D-glucoside, but no activity towards filter paper, Avicel and oat spelt xylan. The activity was positively modulated by 47, 32 and 25\% in the presence of Co2+, Zn2+ and Mg2+, respectively to the reaction mixture. The wide pH stability (4-7) and temperature stability up to 50 degrees C of endoglucanase makes the enzyme suitable for use in cellulose saccharification at moderate temperature and pH.
}, keywords = {Biochemical properties, Carboxymethyl cellulose, Endoglucanase, Penicillium pinophilum MS 20, Purification}, issn = {0301-1208}, author = {Pol, Dipali and Laxman, Ryali Seeta and Rao, Mala} } @article {Poddar, title = {Purification and characterization of an antioxidant protein (similar to 16 kDa) from Terminalia chebula fruit}, journal = {Food Chemistry}, volume = {131}, number = {1}, year = {2012}, month = {MAR}, pages = {141-148}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Terminalia chebula fruit is used as folk medicine in India and Southeast Asia. An antioxidant protein was isolated by bioassay guided fractionation of T. chebula fruit by homogenizing in the citrate phosphate buffer. The isolated protein (TCP-III) obtained from fruit was purified by gel chromatography and preparative HPLC, showed apparent molecular weight of 16 kDa by SDS-PAGE and MALDI-TOF/MS analyses. Amino acid sequence obtained by LC-MSE analysis showed homology with the predicted protein fragments of Populus trichocarpa, putative uncharacterized protein fragments from Oryza sativa and with fragments of 17 kDa thylakoid lumenal protein from Spinacia oleracea. TCP-III exhibited significant radical scavenging in DPPH, NO, H2O2 and ABTS assays. In addition, TCP-III inhibited oxidation of linoleic acid in beta-carotene bleaching assay, reduced ferric ions and chelated ferrous ions. The present finding demonstrates uniquely, for the first time, characterization of an antioxidant protein from T. chebula fruit. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {16 kDa protein molecule of T. chebula, Antioxidant and free radical scavenging activity, Characterization, Purification, Terminalia chebula fruit}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2011.08.048}, author = {Srivastava, Pratibha and Raut, Hema N. and Wagh, Renuka S. and Puntambekar, Hemalata M. and Kulkarni, Mahesh J.} } @article { ISI:000300202400005, title = {Purification and characterization of YxeI, a penicillin acylase from Bacillus subtilis}, journal = {International Journal of Biological Macromolecules}, volume = {50}, number = {1}, year = {2012}, month = {JAN}, pages = {25-30}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The paper reports the purification and characterization of the first penicillin acylase from Bacillus subtilis. YxeI, the protein annotated as hypothetical, coded by the gene yxeI in the open reading frame between iol and hut operons in B. subtilis was cloned and expressed in Eshcherichia coli, purified and characterized. The purified protein showed measurable penicillin acylase activity with penicillin V. The enzyme was a homotetramer of 148 kDa. The apparent Km of the enzyme for penicillin V and the synthetic substrate 2-nitro-5-(phenoxyacetamido)-benzoic acid was 40 mM and 0.63 mM, respectively, and the association constants were 8.93 x 10(2) M-1 and 2.51 x 10(5) M-1, respectively. It was inhibited by cephalosporins and conjugated bile salts, substrates of the closely related bile acid hydrolases. It had good sequence homology with other penicillin V acylases and conjugated bile acid hydrolases, members of the Ntn hydrolase family. The N-terminal nucleophile was a cysteine which is revealed by a simple removal of N-formyl-methionine. The activity of the protein was affected by high temperature, acidic pH and the presence of the denaturant guanidine hydrochloride. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Bacillus subtilis, Conjugated bile acid hydrolases, Ntn hydrolase, Penicillin acylase}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2011.09.018}, author = {Rathinaswamy, Priya and Gaikwad, Sushama M. and Suresh, C. G. and Prabhune, Asmita and Brannigan, James A. and Dodson, Guy G. and Pundle, Archana V.} } @article { ISI:000300467100008, title = {Purification of lactic acid via esterification of lactic acid using a packed column, followed by hydrolysis of methyl lactate using three continuously stirred tank reactors (CSTRs) in series: a continuous pilot plant study}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {4}, year = {2012}, month = {FEB}, pages = {1506-1514}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The world market of lactic acid is growing every year, mainly as a solvent and precursor to poly(lactic acid) (PLA). The cost of renewable biomass-derived PLA will have to compete with other synthetic polymers, if it is to grab a significant and sustainable fraction of the market share. It is thus necessary to have efficient and cost-effective technology for the production of pure-grade lactic acid (LA). In this article, a novel cost-effective, eco-friendly continuous process for the production of high-quality lactic acid at pilot plant scale has been demonstrated. The novelty of this process is that, for the first time, we report and use the concept of inverse reactive distillation for the esterification of crude concentrated LA in a continuous countercurrent packed column mode. This allows us to operate the column at higher temperatures, improving the kinetic rate process and leading to shorter columns. This is followed by the hydrolysis of methyl lactate (MLA) in a series of three continuously stirred tank reactors (CSTRs), where LA itself acts as a catalyst. The LA obtained in the pilot plant process shows 99.81\% purity (by weight) on water-free basis and has an optical purity of 99.9\%. The pilot scale experimental results pertaining to the autocatalytic esterification of LA and hydrolysis of MLA have been compared and validated, with respect to simulated results. The innovations reported here can make the process economically viable for commercial use.
}, issn = {0888-5885}, doi = {10.1021/ie200642j}, author = {Kamble, Sanjay P. and Barve, Prashant P. and Joshi, Jyeshtharaj B. and Rahman, Imran and Kulkarni, Bhaskar D.} } @article { ISI:000302639600011, title = {Quantum dot bio-conjugate: as a western blot probe for highly sensitive detection of cellular proteins}, journal = {Journal of Nanoparticle Research}, volume = {14}, number = {3}, year = {2012}, month = {MAR}, pages = {732}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
In the present study, we report a quantum dot (QD)-tailored western blot analysis for a sensitive, rapid and flexible detection of the nuclear and cytoplasmic proteins. Highly luminescent CdTe and (CdTe) ZnS QDs are synthesized by aqueous method. High resolution transmission electron microscopy, Raman spectroscopy, fourier transform infrared spectroscopy, fluorescence spectroscopy and X-ray diffraction are used to characterize the properties of the quantum dots. The QDs are functionalized with antibodies of prostate apoptosis response-4 (Par-4), poly(ADP-ribose) polymerases and beta actin to specifically bind with the proteins localized in the nucleus and cytoplasm of the cells, respectively. The QD-conjugated antibodies are used to overcome the limitations of conventional western blot technique. The sensitivity and rapidity of protein detection in QD-based approach is very high, with detection limits up to 10 pg of protein. In addition, these labels provide the capability of enhanced identification and localization of marker proteins in intact cells by confocal laser scanning microscopy.
}, keywords = {Detection, Imaging, nanomedicine, quantum dot, Rapid, sensors, Western blot}, issn = {1388-0764}, doi = {10.1007/s11051-012-0732-9}, author = {Kale, Sonia and Kale, Anup and Gholap, Haribhau and Rana, Abhimanyu and Desai, Rama and Banpurkar, Arun G. and Ogale, Satishchandra and Shastry, Padma} } @article { ISI:000301128300003, title = {Radical mediated deoxygenation of inositol benzylidene acetals: conformational analysis, DFT calculations, and mechanism}, journal = {Carbohydrate Research}, volume = {351}, year = {2012}, month = {APR}, pages = {26-34}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Xanthates of 1,3-benzylidene acetal derivatives of myo- and neo-inositols undergo dideoxygenation under Barton-McCombie conditions, as a result of intramolecular abstraction of the benzylidene acetal hydrogen and subsequent cleavage of the acetal ring. Scrutiny of structure of these bicyclic inositol derivatives shows that although the conformation of the two rings can vary depending on the configuration of the inositol ring and the phase in which the molecules are present, both the xanthates lead to the formation of the same dideoxyinositol. DFT calculations on these molecular systems suggest that neo-inositol derivatives undergo conformational change prior to radical formation while myo- inositol derivatives undergo conformational change subsequent to radical formation, during the deoxygenation reaction. A low barrier for intramolecular hydrogen transfer supports the extreme facility of this deoxygenation reaction. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Deoxygenation, DFT, Inositol, Mechanism, Radical, Xanthate}, issn = {0008-6215}, doi = {10.1016/j.carres.2012.01.001}, author = {Gurale, Bharat P. and Vanka, Kumar and Shashidhar, Mysore S.} } @article { ISI:000312148500013, title = {Rapid microwave synthesis of fluorescent hydrophobic carbon dots}, journal = {RSC Advances}, volume = {2}, number = {32}, year = {2012}, month = {OCT}, pages = {12129-12131}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Fluorescent hydrophobic carbon dots (HCDs) have been fabricated from a poloxamer by a simple microwave assisted process within a few minutes for the first time. Small and distinct spherical HCDs emitted bright blue and green fluorescent light depending upon the excitation wavelength and were dispersed easily in a wide variety of organic solvents. HCDs exhibited excellent water resistant behavior with a contact angle of similar to 122 degrees enforcing good hydrophobic character which will be quite useful in potential surface applications.
}, issn = {2046-2069}, doi = {10.1039/c2ra21048g}, author = {Mitra, Shouvik and Chandra, Sourov and Kundu, Tanay and Banerjee, Rahul and Pramanik, Panchanan and Goswami, Arunava} } @article { ISI:000301712600016, title = {Rapid self-healing hydrogels}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {109}, number = {12}, year = {2012}, month = {MAR}, pages = {4383-4388}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {
Synthetic materials that are capable of autonomous healing upon damage are being developed at a rapid pace because of their many potential applications. Despite these advancements, achieving self-healing in permanently cross-linked hydrogels has remained elusive because of the presence of water and irreversible cross-links. Here, we demonstrate that permanently cross-linked hydrogels can be engineered to exhibit self-healing in an aqueous environment. We achieve this feature by arming the hydrogel network with flexible-pendant side chains carrying an optimal balance of hydrophilic and hydrophobic moieties that allows the side chains to mediate hydrogen bonds across the hydrogel interfaces with minimal steric hindrance and hydrophobic collapse. The self-healing reported here is rapid, occurring within seconds of the insertion of a crack into the hydrogel or juxtaposition of two separate hydrogel pieces. The healing is reversible and can be switched on and off via changes in pH, allowing external control over the healing process. Moreover, the hydrogels can sustain multiple cycles of healing and separation without compromising their mechanical properties and healing kinetics. Beyond revealing how secondary interactions could be harnessed to introduce new functions to chemically crosslinked polymeric systems, we also demonstrate various potential applications of such easy-to-synthesize, smart, self-healing hydrogels.
}, keywords = {adhesives, biomimetic materials, Hydrophobicity, molecular dynamics, smart materials}, issn = {0027-8424}, doi = {10.1073/pnas.1201122109}, author = {Phadke, Ameya and Zhang, Chao and Arman, Bedri and Hsu, Cheng-Chih and Mashelkar, Raghunath Anant and Lele, Ashish K. and Tauber, Michael J. and Arya, Gaurav and Varghese, Shyni} } @article {42511, title = {Rare example of TICT based optical responses for the specific recognition of Cr3+ by a 2,2?:6?,2?-terpyridine derivative and demonstration of multiple logic operations}, journal = {Journal of Physical Chemistry C}, volume = {116}, year = {2012}, month = {JUL}, pages = {17448{\textendash}17457}, abstract = {
Chemosensor L showed a nonlinear fluorescence response on specific binding to Cr3+ ion in the presence of various alkali, alkaline-earth, transition, and lanthanide metal ions. A luminescence band with maxima at 512 nm for L was observed (λext = 330 nm) for a twisted intramolecular charge transfer (TICT) transition following antienergy gap law behavior. However, normal energy gap law behavior prevailed on formation of a new nonluminescent charge transfer complex, Mn+{\textperiodcentered}L. For paramagnetic metal ions, paramagnetism induced luminescence quenching could have also contributed to this. A new switched on fluorescence response at λems of 356 nm (λext of 330 nm) was observed due to Franck{\textendash}Condon charge transfer (FC-CT) transition only on the formation of a complex, (Cr3+)2{\textperiodcentered}L. Spectral studies revealed a unique dynamic coordination behavior and migration of Cr3+ from the terpyridyl fragment to the NNMe2 center of L as a function of the varying concentration of another ion (Zn2+) and the subtle difference in the binding affinities of the terpyridyl moiety toward Cr3+ and Zn2+. Further, spectral responses of L toward Zn2+, different concentration of Cr3+, H+ and on subsequent addition of F{\textendash} as different ionic inputs could be correlated well for demonstrating various basic and combinatorial circuits.
}, doi = {10.1021/jp305780y}, author = {Mahato, Prasenjit and Saha, Sukdeb and Das, Amitava} } @article {42504, title = {Ratiometric detection of Cr3+ and Hg2+ by a naphthalimide-rhodamine based fluorescent probe}, journal = {Inorganic Chemistry}, volume = {51}, year = {2012}, month = {JAN}, pages = {1769{\textendash}1777}, abstract = {
Newly synthesized rhodamine derivatives, L1 and L2, are found to bind specifically to Hg2+ or Cr3+ in presence of large excess of other competing ions with associated changes in their optical and fluorescence spectral behavior. These spectral changes are significant enough in the visible region of the spectrum and thus, allow the visual detection. For L1, the detection limit is even lower than the permissible [Cr3+] or [Hg2+] in drinking water as per standard U.S. EPA norms; while the receptor, L2 could be used as a ratiometric sensor for detection of Cr3+ and Hg2+ based on the resonance energy transfer (RET) process involving the donor naphthalimide and the acceptor Cr3+/Hg2+-bound xanthene fragment. Studies reveal that these two reagents could be used for recognition and sensing of Hg2+/Cr3+. Further, confocal laser microscopic studies confirmed that the reagent L2 could also be used as an imaging probe for detection of uptake of these ions in A431 cells.
}, doi = {10.1021/ic202073q}, author = {Mahato, Prasenjit and Saha, Sukdeb and Suresh, E. and Liddo, Rosa Di and Parnigotto, Pier Paolo and Conconi, Maria Teresa and Kesharwani, Manoj K. and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000309370500010, title = {Reactions in supercritical carbon dioxide}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1298-1305}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
Use of conventional organic solvents often leads to the formation of hazardous waste, the disposal of which is a matter of environmental concern. Carbon dioxide is considered to be a green reaction medium and a good replacement for conventional organic solvents as it is benign and leads to elimination/reduction of hazardous wastes. Use of CO2 at near/above critical conditions has several additional advantages as the reactions can be pressure-tuned to eliminate transport resistance, increase solvent power and heat capacity. Hence, there has been considerable interest in the use of supercritical carbon dioxide as either a replacement of conventional organic solvent or as a co-solvent in reactions. Herein, recent developmenst in this area during the last decade is reviewed, specifically in gas-liquid (organic hydrogenation, hydroformylation and oxidation) and liquid-liquid (carbon-carbon coupling, alkylation, acetylation, esterification) reactions.
}, keywords = {Alkylation, Carbon dioxide, Hydroformylation, Hydrogenation, Oxidation, Supercritical carbon dioxide}, issn = {0376-4710}, author = {Mayadevi, S.} } @article { ISI:000303083900011, title = {Reactive polymers bearing styrene pendants through selective anionic polymerization of 4-vinylbenzyl methacrylate}, journal = {Macromolecules}, volume = {45}, number = {8}, year = {2012}, month = {APR}, pages = {3387-3393}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Selective anionic polymerization of 4-vinylbenzyl methacrylate at methacrylate site has been achieved using resonance stabilized anionic initiators such as 1,1-diphenylhexyllithium (DPHLi) and tritylpotassium (TritylK) in tetrahydrofuran (THF) at -78 degrees C. Polymerization proceeded selectively through methacrylate functionality of the monomer in a controlled manner and produced polymers and copolymers with narrow molecular weight distribution at low temperatures (\<=-40 degrees C). H-1 NMR of the polymer showed the presence of styrene pendants in every monomeric repeating unit. The polymerization results confirm that the resonance stabilized carbanions with an optimum pK(a) (30 \<= pK(a) \<= 32) of their conjugate acids such as DPHLi and TritylK do not react with styrene functionality at 78 degrees C. The selective initiation without cross-linking is attributed to the differences in the electronegativity between polar methacrylate and styrene functionalities and an attenuation of initiator reactivity at low temperature. Poly(4-vinylbenzyl methacrylate) and its copolymers with the vinyl pendant in close proximity with ester linkage are very reactive and unstable, readily undergoing cross-linking in solution or in solid state with or without a radical initiator.
}, issn = {0024-9297}, doi = {10.1021/ma202750b}, author = {Mohan, Y. Murali and Raghunadh, V. and Sivaram, S. and Baskaran, D.} } @article { ISI:000301985300008, title = {Recent advances in transition-metal-free carbon-carbon and carbon-heteroatom bond-forming reactions using arynes}, journal = {Chemical Society Reviews}, volume = {41}, number = {8}, year = {2012}, month = {JAN}, pages = {3140-3152}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This tutorial review is aimed at highlighting recent developments in transition-metal-free carbon-carbon and carbon-heteroatom bond-forming reactions utilizing a versatile class of reactive intermediates, viz., arynes, which hold the potential for numerous applications in organic synthesis. Key to the success of the resurgence of interest in the rich chemistry of arynes is primarily the mild condition for their generation by the fluoride-induced 1,2-elimination of 2-(trimethylsilyl)aryl triflates. Consequently, arynes have been employed for the construction of multisubstituted arenes with structural diversity and complexity. The versatile transition-metal-free applications of arynes include cycloaddition reactions, insertion reactions and multicomponent reactions. In addition, arynes have found applications in natural product synthesis. Herein, we present a concise account of the major developments that occurred in this field during the past eight years.
}, issn = {0306-0012}, doi = {10.1039/c2cs15310f}, author = {Bhunia, Anup and Yetra, Santhivardhana Reddy and Biju, Akkattu T.} } @article { ISI:000298305400004, title = {Recent applications of starch derivatives in nanodrug delivery}, journal = {Carbohydrate Polymers}, volume = {87}, number = {2}, year = {2012}, month = {JAN}, pages = {987-994}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Starch has found use in industries as diverse as food, textiles, cosmetics, plastics, adhesives, paper, and pharmaceuticals. From a pharmaceutical standpoint, starch finds its value in solid-oral dosage forms, where it has been used as a binder, diluent, and disintegrant. However, only recently has the use of starch in nanotechnology started to make significant advances in biomedical applications, including newer drug delivery techniques. There has been a considerable effort to develop biodegradable nanoparticles as effective drug delivery systems. Being cheap, non-toxic, renewable, biodegradable and compatible with many other materials for industrial applications, starch is attracting the interest of drug delivery scientists. We have put together in a short and concise format, recent applications of starch derivatives in the emerging field of nanodrug delivery with the conclusion that a lot still needs to be done. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Applications, nanotechnology, Starch}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2011.09.044}, author = {Rodrigues, Asha and Emeje, Martins} } @article {42501, title = {Recognition of Hg 2+ and Cr 3+ in physiological conditions by a rhodamine derivative and its application as a reagent for cell-imaging studies}, journal = {Inorganic Chemistry}, volume = {51}, year = {2012}, month = {DEC}, pages = {336{\textendash}345}, abstract = {
A new rhodamine-based receptor, derivatized with an additional fluorophore (quinoline), was synthesized for selective recognition of Hg2+ and Cr3+ in an acetonitrile/HEPES buffer medium of pH 7.3. This reagent could be used as a dual probe and allowed detection of these two ions by monitoring changes in absorption and the fluorescence spectral pattern. In both instances, the extent of the changes was significant enough to allow visual detection. More importantly, the receptor molecule could be used as an imaging reagent for detection of Hg2+ and Cr3+ uptake in live human cancer cells (MCF7) using laser confocal microscopic studies. Unlike Hg(ClO4)2 or Hg(NO3)2 salts, HgCl2 or HgI2 failed to induce any visually detectable change in color or fluorescence upon interaction with L1 under identical experimental conditions. Presumably, the higher covalent nature of HgII in HgCl2 or HgI2 accounts for its lower acidity and its inability to open up the spirolactam ring of the reagent L1. The issue has been addressed on the basis of the single-crystal X-ray structures of L1{\textperiodcentered}HgX2 (X{\textendash} = Cl{\textendash} or I{\textendash}) and results from other spectral studies.
}, doi = {10.1021/ic2017243}, author = {Saha, Sukdeb and Mahato, Prasenjit and Reddy, Upendar G. and Suresh, E. and Chakrabarty, Arindam and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article {42500, title = {Recognition of Hg2+ion through restricted imine isomerization: crystallographic evidence and imaging in live cells}, journal = {Organic Letters}, volume = {14}, year = {2012}, month = {JUN}, pages = {2980{\textendash}2983}, abstract = {
A newly synthesized imine-based receptor (L) showed remarkable specificity toward the Hg2+ ion in aqueous media over other metal ions. Coordination of L to Hg2+ induces a turn-on fluorescence response. This was explained based on the restricted imine isomerization along with PET on coordination to Hg2+. X-ray structural evidence tends to favor a C{\textendash}C bond rotation rather than C=N isomerization for adopting a favorable conformation in L for coordination to Hg2+. This reagent could be used for imaging the accumulation of Hg2+ ions in HeLa cells.
}, doi = {10.1021/ol3009733}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Das, Priyadip and Suresh, E. and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000302540600008, title = {Regio- and stereoselective synthesis of new substituted tetrahydrocarbazoles and carbazoles using diels-alder reactions}, journal = {Synthetic Communications}, volume = {42}, number = {12}, year = {2012}, month = {NOV}, pages = {1786-1795}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Diels-Alder reactions of 3-vinylindoles were carried out with methyl acrylate and N-phenylmaleimide as dienophiles under microwave conditions to furnish unreported tetrahydrocarbazoles regio- and stereoselectively in good yields. Further dehydrogenation resulted in new substituted carbazoles.
}, keywords = {Carbazoles, regio- and stereoselective Diels-Alder reactions, tetrahydrocarbazoles}, issn = {0039-7911}, doi = {10.1080/00397911.2010.544440}, author = {Hingane, Dattatray G. and Goswami, Shailesh K. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @article { ISI:000307077500019, title = {Regulation of BACE1 by miR-29a/b in a cellular model of spinocerebellar ataxia 17}, journal = {RNA Biology}, volume = {9}, number = {6, SI}, year = {2012}, month = {JUN}, pages = {891-899}, publisher = {LANDES BIOSCIENCE}, address = {1806 RIO GRANDE ST, AUSTIN, TX 78702 USA}, abstract = {
Polyglutamine diseases are a class of neurodegenerative disorders characterized by expansion of polyglutamine repeats, protein aggregation and neuronal cell death in specific regions of the brain. The expansion of a polyglutamine repeat in the TATA binding protein (TBP) causes a neurodegenerative disease, Spinocerebellar Ataxia 17 (SC A17). This disease is characterized by intranuclear protein aggregates and selective loss of cerebellar neurons, including Purkinje cells. MicroRNAs are small, endogenous, regulatory non-coding RNA molecules that bind to mRNAs with partial complementarity and interfere in their expression. Here, we used a cellular model of SC A17 where we expressed TBP with 16 (normal) or 59 (pathogenic) polyglutamines and found differential expression of several microRNAs. Specifically, we found two microRNAs, miR-29a/b, were downregulated. With miR-29a/b downregulation, we found an increased expression of targets of miR-29a/b-beta-site amyloid precursor protein cleaving enzyme 1 (BACE 1), p53 upregulated modulator of apoptosis (PUMA) and BAK, increased cytochrome c release and apoptosis. Restoration of miR-29a/b in the pathogenic polyglutamine background reduced the BACE 1 expression. While, antagomiRs against miR-29a/b resulted in an increase in BACE 1 levels and neuronal apoptosis. In spite of the elevation of BACE 1 in Alzhemiers disease, its role in neuronal cell death has not been established. Here, we show that increased BACE 1 expression is not sufficient to cause apoptosis. However restoring level of BACE 1 to normal in polyglutamine cells partially reduced neuronal apoptosis. We show a role for the miR-29a/b-BACE 1 regulatory interaction in SC A17, suggesting that this microRNA could be part of a common molecular mechanism leading to neuronal cell death in multiple neurodegenerative disorders. The identification of a common mechanism of microRNA mediated neurodegeneration not only improves our understanding of the process, but also provides promising and novel therapeutic targets.
}, keywords = {BACE1, miR-29a/b, neurodegeneration, SCA17, TBP}, issn = {1547-6286}, doi = {10.4161/rna.19876}, author = {Roshan, Reema and Ghosh, Tanay and Gadgil, Mugdha and Pillai, Beena} } @article { ISI:000309568700049, title = {Reply to comment on {\textquoteleft}{\textquoteleft}Reductive dechlorination of gamma-hexachlorocyclohexane using Fe-Pd bimetallic nanoparticles{\textquoteright}{\textquoteright}, by C. Noubactep}, journal = {Journal of Hazardous Materials}, volume = {235}, year = {2012}, month = {OCT}, pages = {392-393}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2011.04.015}, author = {Nagpal, Varima and Bokare, Alok D. and Chikate, Rajeev C. and Rode, Chandrashekhar V. and Paknikar, Kishore M.} } @article { ISI:000298731600002, title = {Reply to the {\textquoteleft}{\textquoteleft}comments to CFD simulation of stirred tanks: comparison of turbulence models. part I: radial flow impellers and part II: axial flow impellers, multiple impellers and multiphase dispersions{\textquoteright}{\textquoteright}}, journal = {Canadian Journal of Chemical Engineering}, volume = {90}, number = {1}, year = {2012}, month = {FEB}, pages = {3-6}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, issn = {0008-4034}, doi = {10.1002/cjce.21610}, author = {Joshi, J. B. and Nere, N. K. and Rane, C. V. and Murthy, B. N. and Mathpati, Channamallikarjun S. and Patwardhan, A. W. and Ranade, V. V.} } @article {42509, title = {Restricted conformational flexibility of a triphenylamine derivative on the formation of host-guest complexes with various macrocyclic hosts}, journal = {Chemistry a European Journal}, volume = {18}, year = {2012}, month = {MAR}, pages = {3906{\textendash}3917}, abstract = {
Herein, we report the host{\textendash}guest-type complex formation between the host molecules cucurbit[7]uril (CB[7]), β-cyclodextrin (β-CD), and dibenzo[24]crown-8 ether (DB24C8) and a newly synthesized triphenylamine (TPA) derivative 1X3 as the guest component. The host{\textendash}guest complex formation was studied in detail by using 1H NMR, 2D NOESY, UV/Vis fluorescence, and time-resolved emission spectroscopy. The chloride salt of the TPA derivative was used for recognition studies with CB[7] and β-CD in an aqueous medium. The restricted internal rotation of the guest molecule on complex formation with either of these two host molecules was reflected in the enhancement of the emission quantum yield and the average excited-state lifetime for the triphenylamine-based excited states. Studies with DB24C8 as the host molecule were performed in dichloromethane, a medium that maximizes the noncovalent interaction between the host and guest fragments. The F{\"o}rster resonance energy transfer (FRET) process involving DB24C8 and 1(PF6)3, as the donor and acceptor fragments, respectively, was established by electrochemical, steady-state emission, and time-correlated single-photon counting studies.
}, doi = {10.1002/chem.201103079}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Das, Priyadip and Das, Amitava} } @article {43314, title = {Reversible assembly and disassembly of micelles by a polymer that switches betweenhydrophilic and hydrophobic wettings}, journal = {Langmuir}, volume = {28}, year = {2012}, month = {JUN}, pages = {10097-10104}, abstract = {Supramolecular complexes involving nanoscopic amphiphilic assemblies (AAs) and polyelectrolytes have been used to prepare a variety of materials, wherein the dynamic AAs retain the structural features, but the polyelectrolytes undergo conformational changes. Here we show that a charge bearing rigid conjugated polymer can alter the structural features and disassemble AAs. We also demonstrate reversible assembly and disassembly of AAs by controlling the number of charges on the rigid polymer. During the disassembly, the guest molecules sequestered in the AAs are released. The rate of release has been modulated by changing the morphology of the charge bearing polymer. Concomitant to the AAs disassembly, the polymer surface becomes hydrophobic due to the binding of the amphiphiles on the charges of the polymer backbone. By controlling the charges on the polymer, the surface wettability was varied gradually from hydrophilic to hydrophobic.}, doi = {10.1021/la301760a}, author = {Dutta, Kingshuk and Mahale, Rajashree Y. and Arulkashmir, Arulraj and Krishnamoorthy, Kothandam} } @article { ISI:000297559200027, title = {Reversible phase transformation in proton conducting strandberg-type POM based metal organic material}, journal = {Chemical Communications}, volume = {48}, number = {2}, year = {2012}, month = {NOV}, pages = {266-268}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A Cu(II)-phenanthroline connected Strandberg-type polyoxometalate based proton conducting MOF, Cu3Mo5P2, that contains one dimensional parallel water channels has been reported. Cu3Mo5P2 shows proton conduction at room temperature as well as elevated temperature.
}, issn = {1359-7345}, doi = {10.1039/c1cc15162b}, author = {Dey, Chandan and Kundu, Tanay and Banerjee, Rahul} } @article {42503, title = {Rhodamine-alginate conjugate as self-indicating gel beads for efficient detection and scavenging of Hg 2+ and Cr 3+ in aqueous media}, journal = {Chemical Communications}, volume = {48}, year = {2012}, month = {NOV}, pages = {1659-1661}, abstract = {
Effective extraction of Hg2+ and Cr3+ ions from aqueous media by novel rhodamine{\textendash}alginate polymer-based highly fluorogenic, as well as colorimetric, chemosensor beads.
}, doi = {10.1039/C1CC16554B}, author = {Saha, Sukdeb and Chhatbar, Mahesh U. and Mahato, Prasenjit and Praveen, L. and Siddhanta, A. K. and Das, Amitava} } @article {42712, title = {Ruthenium pincer-catalyzed cross-dehydrogenative coupling of primary alcohols with secondary alcohols under neutral conditions}, journal = {Advanced Synthesis \& Catalysis}, volume = {354}, year = {2012}, month = {SEP}, pages = {2403{\textendash}2406}, abstract = {
Cross-dehydrogenative coupling of primary alcohols with secondary alcohols to obtain mixed esters with the liberation of molecular hydrogen is achieved in high yield and good selectivity under neutral conditions, using a bipyridyl-based PNN ruthenium(II) pincer catalyst.
}, doi = {10.1002/adsc.201200438}, author = {Srimani, Dipankar and Balaraman, Ekambaram and Gnanaprakasam, Boopathy and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000309597000010, title = {Ruthenium-catalyzed C6-propenylation reactions of substituted pyridine derivatives: directed and direct C-H activation}, journal = {Chemistry-A European Journal}, volume = {18}, number = {42}, year = {2012}, month = {OCT}, pages = {13288-13292}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {alkenylation, C?H activation, nitrogen heterocycles, pyridine derivatives, ruthenium}, issn = {0947-6539}, doi = {10.1002/chem.201202379}, author = {Goriya, Yogesh and Ramana, Chepuri V.} } @article { ISI:000306790900018, title = {Sad demise of Dr. Doraiswamy, former CSIR-NCL director}, journal = {National Academy Science Letters-India}, volume = {35}, number = {3}, year = {2012}, month = {JUN}, pages = {241-242}, publisher = {NATL ACAD SCIENCES INDIA}, address = {5 LAJPATRAI RD, ALLAHABAD 211002, INDIA}, issn = {0250-541X}, doi = {10.1007/s40009-012-0055-5}, author = {Ingle, P. K.} } @article { ISI:000307748700004, title = {Scandium-decorated MOF-5 as potential candidates for room-temperature hydrogen storage: a solution for the clustering problem in MOFs}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {33}, year = {2012}, month = {AUG}, pages = {17336-17342}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Transition-metal-based systems show promising binding energy for hydrogen storage but suffer from clustering problem. The effect of light transition metal (M = Sc, Ti) decoration, boron substitution on the hydrogen storage properties of MOF-5, and clustering problem of metals has been investigated using ab initio density, functional theory. Our results of solid-tate calculations reveal that whereas Ti clusters strongly Sc atoms do not suffer from this problem when decorating MOF-5. Boron substitution on metal-decorated MOF-5 enhances the interaction energy of both the metals with MOF-5. Sc-decorated MOF-5 shows a hydrogen storage capacity of 5.81 wt \% with calculated binding energies of 20-40 kJ/mol, which ensures the room-teniperature applicability of this hydrogen storage material.
}, issn = {1932-7447}, doi = {10.1021/jp302852h}, author = {Dixit, Mudit and Maark, Tuhina Adit and Ghatak, Kamalika and Ahuja, Rajiv and Pal, Sourav} } @article { ISI:000306933400046, title = {Segmented flow synthesis of Ag nanoparticles in spiral microreactor: role of continuous and disperzsed phase}, journal = {Chemical Engineering Journal}, volume = {192}, year = {2012}, month = {JUN}, pages = {357-368}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
This work focuses on understanding the effect of segmented flow on the nanoparticle size distribution in a unidirectionally expanding spiral microreactor, where secondary flows are prevalent in the absence of segmentation. Stearic acid sophorolipid reduced/capped Ag NPs were synthesized in the aqueous phase and air or kerosene was used as inert phases for creating the gas-liquid and liquid-liquid segmented flow, respectively. While, in one case the reactant phase is in the form of dispersed phase slugs, in the other case it is in the form of continuous phase, each exhibiting a different behavior. The slug sizes and the slip velocity, both of which govern the nature of internal mixing in the reactant phase slug controlled the nanoparticle size distribution. This observation was consistent for both, gas-liquid and liquid-liquid segmented flows. The micromixer having smaller orifice diameter yielded smaller slugs and also a narrow particle size distribution. In general, the particle sizes were much smaller for gas-liquid flow rather than for liquid-liquid flow. Because of the unidirectionally expanding spiral geometry of the channel, at any given condition, unsteady behavior of slugs due to continuously varying radius of curvature results in variation in the slip velocity along the length of microchannel. This effect was seen to further narrow the particle size distribution than alone by the segmented flow. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Ag nanoparticles, Segmented flow synthesis, Sophorolipid, Spiral microreactor}, issn = {1385-8947}, doi = {10.1016/j.cej.2012.02.084}, author = {Kumar, D. V. Ravi and Bhagavatula L. V. Prasad and Kulkarni, Amol A.} } @article { ISI:000311350000009, title = {Selective oxidation of cyclic olefins over framework Ti-substituted, three-dimensional, mesoporous Ti-SBA-12 and Ti-SBA-16 molecular sieves}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {59-68}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Framework Ti-substituted, three-dimensional, mesoporous titanosilicates, Ti-SBA-12 and Ti-SBA-16, were prepared by direct hydrothermal synthesis method. These catalysts showed catalytic activity higher than the hitherto known titanosilicates for the oxidation of cyclic olefins (cyclohexene and cyclooctene) with tert.-butyl hydroperoxide. An epoxide selectivity of 100\% and olefin conversion greater than 92\% were obtained. Cubic Ti-SBA-16 with interconnected cage-like mesopore structure was more active than hexagonal Ti-SBA-12. X-ray diffraction and diffuse reflectance UV-vis, Fourier transform infrared, Raman and electron paramagnetic resonance spectroscopies provided evidence for the substitution of Ti4+ (for Si4+) in the framework locations. The catalytic activity correlated with the concentration of framework-substituted, tetrahedral Ti4+ ions. Easy accessibility of the active sites and the three-dimensional mesoporous structure are the possible causes for the superior activity of these titanosilicate catalysts. (C) 2012 Elsevier B. V. All rights reserved.
}, keywords = {Epoxidation of cyclic olefins, mesoporous materials, Molecular sieves, Selective oxidation, Ti-SBA-12, Ti-SBA-16, Titanosilicates}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.01.035}, author = {Kumar, Anuj and Srinivas, Darbha} } @article { ISI:000310744400011, title = {Selective oxidation of nonrefractory and refractory sulfides by cyclopentadienyl molybdenum acetylide complexes as efficient catalysts}, journal = {Catalysis Letters}, volume = {142}, number = {11}, year = {2012}, month = {NOV}, pages = {1352-1360}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
{The synthesis and catalytic properties of molybdenum acetylide complexes CpMo(CO)(3)(-C CR)
}, keywords = {Homogeneous catalysis, Molybdenum acetylide, Oxo-peroxo species, Refractory sulfide oxidation}, issn = {1011-372X}, doi = {10.1007/s10562-012-0898-x}, author = {Chandgude, Macchindra G. and Biradar, Ankush V. and Kotbagi, Trupti V. and Puranik, Vedavati G. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000301955900026, title = {Selective recognition of fluoride and acetate by a newly designed ruthenium framework: experimental and theoretical investigations}, journal = {Dalton Transactions}, volume = {41}, number = {15}, year = {2012}, month = {FEB}, pages = {4484-4496}, type = {Article}, abstract = {
{An effective anion sensor, [Ru-II(bpy)(2)(H2L-)](+) (1(+)), based on a redox and photoactive {Ru-II(bpy)(2)} moiety and a new ligand (H3L = 5-(1H-benzo[d]imidazol-2-yl)-1H-imidazole-4-carboxylic acid), has been developed for selective recognition of fluoride (F-) and acetate (OAc-) ions. Crystal structures of the free ligand, H3L and [1](ClO4) reveal the existence of strong intramolecular and intermolecular hydrogen bonding interactions. The structure of [1](ClO4) shows that the benzimidazole N-H of H2L- is hydrogen bonded with the pendant carboxylate oxygen while the imidazole N-H remains free for possible hydrogen bonding interaction with the anions. The potential anion sensing features of 1(+) have been studied by different experimental and theoretical (DFT) investigations using a wide variety of anions, such as F-, Cl-, Br-, I-, HSO4-, H2PO4-, OAc- and SCN-. Cyclic voltammetry and differential pulse voltammetry established that 1(+) is an excellent electrochemical sensor for the selective recognition kof F- and OAc- anions. 1(+) is also found to be a selective colorimetric sensor for F- or OAc- anions where the MLCT band of the receptor at 498 nm is red shifted to 538 nm in the presence of one equivalent of F- or OAc- with a distinct change in colour from reddish-orange to pink. The binding constant between 1(+) and F- or OAc- has been determined to be logK = 7.61 or 7.88, respectively, based on spectrophotometric titration in CH3CN. The quenching of the emission band of 1(+) at 716 nm (lambda(ex) = 440 nm
}, doi = {10.1039/c2dt12126c}, author = {Kundu, Tanaya and Chowdhury, Abhishek Dutta and De, Dipanwita and Mobin, Shaikh M. and Puranik, Vedavati G. and Datta, Anindya and Lahiri, Goutam Kumar} } @article { ISI:000311864500004, title = {Selectivity tuning options in hydrogenation of m-chloronitrobenzene to m-chloroaniline over mono- and bimetallic supported Pt catalysts}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {48}, year = {2012}, month = {DEC}, pages = {15564-15572}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Supported monometallic (Pt, Ni,) and bimetallic (Ni-Pt) catalysts were prepared for the selective liquid phase hydrogenation of m-chlronitrobenzene to m-chloroaniline (m-CAN). It was found that the use of sodium carbonate as an additive substantially reduced the extent of dehydrohalogenation in the case of monometallic, 1\% Pt/C catalyst, to give the highest selectivity of 96\% to m-CAN. Ni-Pt bimetallic catalyst although showed almost complete selectivity (\>99\%) to m-chloroaniline; its activity was several fold lower than that of 1\% Pt/C Na2CO3 system. However, compared with Ni monometallic catalyst, bimetallic Ni-Pt showed higher activity and selectivity due to the presence of electron rich surface metallic Pt stabilized by Ni having lower ionization potential compared with Pt.
}, issn = {0888-5885}, doi = {10.1021/ie301363x}, author = {Mane, Rasika B. and Potdar, Aparna S. and Nadgeri, Jayprakash M. and Biradar, Narayan S. and Rode, Chandrashekhar V.} } @article { ISI:000312148500036, title = {Self photostabilizing UV-durable MWCNT/polymer nanocomposites}, journal = {RSC Advances}, volume = {2}, number = {32}, year = {2012}, month = {OCT}, pages = {12255-12262}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A potentially active hindered amine light stabilizer (HALS) was successfully anchored onto multiwalled carbon nanotubes (MWCNTs) and used as a light-stabilizing yet reinforcing multifunctional nanofiller to obtain UV-durable polymer nanocomposites. The influence of such light stabilizing MWCNTs on the photo-oxidation behaviour and structure-properties of polypropylene (PP) was studied. The composites were prepared by solution mixing of MWCNTs followed by melt compounding with polypropylene (PP). The resulting composite exhibits excellent UV-durability showing an almost 20 fold increase in the induction period of photo-oxidation. Moreover, the hydrophobic HALS was found to be compatibilizing enough to achieve homogeneous dispersion of exfoliated nanotubes into a polymer matrix. The rheological characterizations predict the formation of a percolated network structure. The obtained nanocomposites present markedly improved mechanical properties which underline the reinforcing ability of functionalized MWCNTs. Overall combination of HALS and MWCNTs offers an attractive route to combine multifunctionality into new hybrid UV-durable polymer nanocomposites. Such materials may possess great potential for outdoors high performance applications.
}, issn = {2046-2069}, doi = {10.1039/c2ra21583g}, author = {Lonkar, Sunil P. and Kushwaha, Omkar S. and Leuteritz, Andreas and Heinrich, Gert and Singh, R. P.} } @article { ISI:000303774000020, title = {Self-assembled one dimensional functionalized metal-organic nanotubes (MONTs) for proton conduction}, journal = {Chemical Communications}, volume = {48}, number = {44}, year = {2012}, month = {APR}, pages = {5464-5466}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Two self-assembled isostructural functionalized metal-organic nanotubes have been synthesized using 5-triazole isophthalic acid (5-TIA) with In(III) and Cd(II). In-and Cd-5TIA possess one-dimensional (1D) nanotubular architecture and show proton conductivity along regular 1D channels, measured as 5.35 x 10(-5) and 3.61 x 10(-3) S cm(-1) respectively.
}, issn = {1359-7345}, doi = {10.1039/c2cc31527k}, author = {Panda, Tamas and Kundu, Tanay and Banerjee, Rahul} } @proceedings {43270, title = {Self{\textendash}assembled histidine acid phosphate nanocapsules as templates for multifunctional hollow platinum nanospheres in ionic liquid [BMIM][BF 4 ] for drug delivery}, year = {2012}, month = {JAN}, abstract = {
During the past few decades, the design and fabrication of nano drug delivery vehicle has received considerable attention for incorporating multi-functionality, emphasizing transportation of anticancer drugs to tumour sites. Protein-based nanoparticles hold significant promise in the development of anticancer drug delivery systems since they have remarkable superiority in biocompatibility, biodegradability and natural metabolism in physiologic systems. Ionic liquids (ILs) are a class of solvents that are composed solely of ions (ILs {\textendash} commonly referred as room temperature molten salts or room temperature ionic liquids). They have recently emerged as green solvents or green reaction media, because of their reported unique physico-chemical properties. We report for the first time the controlled self-assembly of Histidine Acid phosphatase (HAP) enzyme in the IL 1-butyl-3-methylimidazolium tetrafluoroborate [BMIM][BF 4 ], leading to the formation of HAP nanocapsules as template for synthesis of platinum nanospheres. These HAP nano-containers were loaded with an anticancer drug curcumin. We further demonstrated in vitro drug release and synergistic anticancer effect of these systems on three different cell lines viz. hepatocellular carcinoma (HepG2), breast cancer (MCF-7) and human acute monocytes (THP-1). The present work can extend our theoretical understanding on nano-bio interfacial molecular self assembly and will facilitate the motivated insights of inorganic/organic hybrid nano-materials/ nano-particles/ nano-objects and ionic liquids based multi functional drug delivery vehicles with synergistic combination chemotherapy for potential application in tumor targeting. INTRODUCTION During the past few decades, the design and fabrication of drug delivery vehicle has received considerable attention for incorporating multi-functionality emphasizing transportation of anticancer drugs to tumour sites. These nano drug delivery vehicles have many advantages including prolonged circulation time of the drugs (Duncan, 2003, Kiick, 2007) , improved drug targeting and solubility (Duncan, 2003, Kiick, 2007), higher payloads (Duncan, 2003) and controlled release of the therapeutics into the blood stream or the targeted tumour tissues (Uhrich et al. 1999, Duncan, 2003).
}, author = {Soni, Sarvesh Kumar and Sarkar, Sampa and Sarkar, Dhiman and Coloe, Peter J. and Bhargava, Suresh Kumar and Bansal, Vipul} } @article {42510, title = {Sequential energy and electron transfer in polynuclear complex sensitized TiO2 nanoparticles}, journal = {Journal of Physical Chemistry Letters}, volume = {3}, year = {2012}, month = {MAY}, pages = {1543{\textendash}1548}, abstract = {
Polynuclear{\textendash}polypyridyl complexes exhibit a directional energy-transfer property that can improve their photosensitization activity. In the present work, the energy-transfer process is explored in a trinuclear Ru2∧Os1 complex using transient absorption spectroscopy. This study reveals an efficient excitation energy transfer from the terminal (RuII complex) to the core (OsII complex) region in the ultrafast time domain (400 fs{\textendash}40 ps). The excitation energy funnel is useful in improving the functionalized core activity. This is evidenced in an interfacial electron-transfer study of Ru2∧Os1, Ru2∧Ru1, and Os1 complex sensitized TiO2 nanoparticle (TiO2 NP) systems. The intramolecular energy transfer causes sequential excitation of the core part of the Ru2∧Os1 complex, which leads to multiexponential electron injection into TiO2 NP. Besides this, the electronic coupling between the metal ion centers stabilizes the positive charge within the trinuclear complex, which results in a slow charge recombination reaction. This study shows that polynuclear complexes can be very useful for their panchromatic effects, unidirectional energy- and electron-transfer properties.
}, doi = {10.1021/jz3005305}, author = {Verma, Sandeep and Kar, Prasenjit and Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000309462100003, title = {SHI irradiation induced effects in functionalized MWCNTs}, journal = {Radiation Effects and Defects in Solids}, volume = {167}, number = {8, SI}, year = {2012}, month = {FEB}, pages = {569-576}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Multi-walled carbon nanotubes (MWCNTs) have attracted extensive attention globally due to their applications in modern nanotechnology. It is very important to study the effects on these MWCNTs under swift heavy ion (SHI) irradiation since ion irradiation has been recognized as one of the best tools for nanostructuring of materials, in general. Here, we present the effects of 80MeV Ni ions with a fluence ranging from 3 x 10(12) to 3 x 10(13) ions/cm(2) on functionalized MWCNT mats. The properties of pristine and irradiated samples were studied using X-ray diffraction, Raman spectroscopy and transmission electron microscopy. The effects of SHI irradiation on these samples are discussed in detail.
}, keywords = {CNT, Raman, SHI, TEM}, issn = {1042-0150}, doi = {10.1080/10420150.2012.660939}, author = {Saikiran, V. and Pathak, A. P. and Rao, N. Srinivasa and Devaraju, G. and Debgupta, Joyashish and Kyriakou, I. and Emfietzoglou, D.} } @article { ISI:000315172400021, title = {Significant enhancement of formic acid oxidation using rhodium nanostructures}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {12}, number = {12}, year = {2012}, month = {DEC}, pages = {8994-8998}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
The electrocatalytic activity of as-synthesized shape selective Rh nanostructures has been demonstrated using cyclic voltammetry, revealing unique shape-dependant performance towards HCOOH oxidation. interestingly, the enhancement factor (R) for different shapes of Rh with respect to that of commercial Rh towards formic acid oxidation ranges up to 20,000\% for cubes as compared to 17,500\% for pyramids and 11,000\% for hexagons respectively. Mechanistic pathway for comparatively better sensitivity of cubes as compared to other shapes has been correlated with the results of X-ray diffraction.
}, keywords = {electrocatalysis, Formic Acid Oxidation, Preferential Growth, Rhodium Nanostructures}, issn = {1533-4880}, doi = {10.1166/jnn.2012.6735}, author = {Balan, Beena K. and Sathe, Bhaskar R.} } @article { ISI:000305965100013, title = {Simple method for incorporating dynamic effects of intronic miRNA mediated regulation}, journal = {Molecular Biosystems}, volume = {8}, number = {8}, year = {2012}, month = {APR}, pages = {2145-2152}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The importance of microRNA (miRNA) in modulating gene expression at the post-transcriptional level is well known. Such regulation has been shown to influence the dynamics of several regulatory networks including the cell cycle. In this study we incorporated regulatory effects of intronic miRNA into an existing mathematical model of the cell cycle through the use of an existing {\textquoteleft}proxy{\textquoteright} protein - the host protein. It was observed that the incorporation of intronic miRNA mediated regulation improved the performance of the model resulting in a closer match to experimental results. To test the universality of this approach we compared the effects of intronic miRNA mediated regulation and host protein mediated regulation. Further, we compared miRNA mediated and protein mediated positive and negative feedback regulations of the target protein. We found that the target protein profiles were predominantly similar. These observations show the applicability of our method for incorporating intronic miRNA mediated dynamic effects in models for regulation of gene expression.
}, issn = {1742-206X}, doi = {10.1039/c2mb25046b}, author = {Gokhale, Sucheta A. and Hariharan, Manoj and Brahmachari, Samir K. and Gadgil, Chetan J.} } @article { ISI:000311350000013, title = {Simple one pot synthesis of nano gold-mesoporous silica and its oxidation catalysis}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {92-97}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A simple one pot synthesis strategy using a non ionic triblock copolymer P123 as reducing as well as templating agent has been employed to prepare nano gold particles incorporated in the pores of mesoporous silica catalyst. The catalyst is characterized by XRD, nitrogen adsorption desorption isotherms at 77 K and TEM. The presence of small gold nanopartilces (similar to 2-4 nm) clearly demonstrated that this strategy can be effective in incorporating Au inside mesochannels. The catalyst reduced at 300 degrees C in H-2 was found to be active for oxidation reactions, such as CO oxidation, and benzyl alcohol. (C) 2012 Elsevier B. V. All rights reserved.
}, keywords = {Alcohol oxidation, CO oxidation, Gold catalysis, Mesoporous silica}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.05.053}, author = {Sekhar, A. C. Sunil and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article { ISI:000301406900030, title = {Simulation of settling of solid particles due to sudden impeller stoppage}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {10}, year = {2012}, month = {MAR}, pages = {4112-4118}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Stirred tank reactors (STRs), which are used in process industries (for a variety of operations, such as catalytic reactions, dissolution of a solid, crystallization, and so on), often involve handling of solid liquid (gas) systems. The solid suspension and the quality of the suspension are key issues in the design and operation of such stirred reactors. Despite extensive experimental work over previous decades, comprehensive understanding and reliable methods to predict the solids suspension and the quality of the suspension are not yet available. Advances in computational fluid dynamics (CFD) and new experimental techniques offer potentially effective ways of understanding solids suspension in stirred tanks. The present work highlights the potential of using transient measurements by way of the dynamic settling of solid particles because of the sudden stoppage of an impeller to evaluate CFD models. Sudden impeller stoppage results in significantly different conditions, in terms of the ratio of particle diameter to Kolomogorov length scale (d(p)/lambda), as well as the solids volume fraction experienced by solid particles. Therefore, experimental data under such sudden impeller stoppage offer a better way to evaluate the influence of prevailing turbulence and solids volume fraction on effective drag and therefore offer a more-stringent test to CFD models than steady-state profiles. Besides facilitating the development of computational models, the experimental and simulation studies of sudden impeller stoppage also provide useful data to gain insight into the behavior of the stirred tank after abrupt impeller stoppage due to sudden power failure.
}, issn = {0888-5885}, doi = {10.1021/ie2028987}, author = {Sardeshpande, Madhavi V. and Ranade, Vivek V.} } @article { ISI:000309139400020, title = {Simultaneous glycerol dehydration and in situ hydrogenolysis over Cu-Al oxide under an inert atmosphere}, journal = {Green Chemistry}, volume = {14}, number = {10}, year = {2012}, month = {JUL}, pages = {2780-2789}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Among various catalysts screened, the Cu-Al oxide catalyst, prepared by a co-precipitation method, exhibited excellent activity for simultaneous glycerol dehydration and its hydrogenolysis without external hydrogen. Detailed characterization by XRD, XPS, HR-TEM, TPR, etc., showed evidence of Cu2+ in the form of CuO and CuAl2O4, along with Cu-0 and Cu1+ species, which are responsible for their multifunctional roles in glycerol APR, dehydration and hydrogenolysis reactions under inert conditions. This catalyst also presented consistent activity for a duration of 400 h for autogeneous hydrogenolysis of refined glycerol with 36\% selectivity to 1,2-propanediol (1,2-PDO). Manipulating the temperature and feed flow rate conditions, meant that the selectivity to acetol and 1,2-PDO could be tailored as desired. Substantial enhancement in 1,2-PDO selectivity (75\%) was achieved for an aqueous bio-glycerol feed over the same catalyst for 50 h of testing.
}, issn = {1463-9262}, doi = {10.1039/c2gc35661a}, author = {Mane, Rasika B. and Rode, Chandrashekhar V.} } @article {UGC-New Delhi}, title = {Single crystal X-ray structure of lawsone anion: evidence for coordination of alkali metal ions and formation of naphthosemiquinone radical in basic media}, journal = {Journal of Molecular Structure}, volume = {1010}, number = {3-4}, year = {2012}, month = {FEB}, pages = {38-45}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
2-hydroxy-1,4-naphthoquinone; Lawsone (Lw) is a natural compound found in henna leaves. The reaction of lawsone with {\textquoteleft}Na{\textquoteright} metal (Lw-1), CH3COONa (Lw-2), NaOH (Lw-3), KOH (Lw-4), K2CO3 (Lw-5) and Tris(hydroxymethyl)aminomethane (Lw-6) were studied. Red orange solids obtained for Lw-1 to Lw-6 are characterized by Elemental Analysis, FTIR, (HNMR)-H-1 and EPR studies. The results reveal the coordination of alkali metals {\textquoteleft}Na{\textquoteright} and {\textquoteleft}K{\textquoteright} to lawsone anion. The single crystal X-ray structure of Lw-6 was solved and it crystallizes in triclinic space group P-1 with extensive hydrogen bonding network of C-H center dot center dot center dot O, N-H center dot center dot center dot O and O-H center dot center dot center dot O between cations and anions. Polycrystalline powder X-band EPR spectra of Lw-1 to Lw-5 shows signals similar to 2.004 at 133 K, while Lw-6 is EPR silent. The naphthosemiquinone (NSQ) radical formed in Lw-2 to Lw-5, is due to disproportion reaction of catechol and naphthoquinone. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {2-Hydroxy-1, 4-naphthoquione, EPR, hydrogen bonding, Lawsone, Naphthosemiquinone radicals}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2011.11.015}, author = {Salunke-Gawali, Sunita and Kathawate, Laxmi and Shinde, Yogesh and Puranik, Vedavati G. and Weyhermueller, Thomas} } @article {42551, title = {Size-controlled flow synthesis of gold nanoparticles using a segmented flow microfluidic platform}, journal = {Langmuir}, volume = {28}, year = {2012}, month = {MAY}, pages = {7007-7013}, abstract = {
Segmented flow is often used in the synthesis of nanomaterials to achieve narrow particle size distribution. The narrowness of the distribution is commonly attributed to the reduced dispersion associated with segmented flows. On the basis of the analysis of flow fields and the resulting particle size distribution, we demonstrate that it is the slip velocity between the two fluids and internal mixing in the continuous-phase slugs that govern the nature of the particle size distribution. The reduction in the axial dispersion has less impact on particle growth and hence on the particle size distribution. Synthesis of gold nanoparticles from HAuCl4 with rapid reduction by NaBH4 serves as a model system. Rapid reduction yields gold nuclei, which grow by agglomeration, and it is controlled by the interaction of the nuclei with local flow. Thus, the difference in the physical properties of the two phases and the inlet flow rates ultimately control the particle growth. Hence, a careful choice of continuous and dispersed phases is necessary to control the nanoparticle size and size distribution.
}, doi = {10.1021/la205131e}, author = {Cabeza, Victor Sebastian and Kuhn, Simon and Kulkarni, Amol A. and Jensen, Klavs F.} } @article { ISI:000306038600023, title = {Slow-tight binding inhibition of pepsin by an aspartic protease inhibitor from streptomyces sp MBR04}, journal = {International Journal of Biological Macromolecules}, volume = {51}, number = {1-2}, year = {2012}, month = {JUL}, pages = {165-174}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The present article reports a low molecular weight aspartic protease inhibitor from a Streptomyces sp. MBR04 exhibiting a two-step inhibition mechanism against pepsin. The kinetic interactions revealed a reversible, competitive, slow-tight binding inhibition with an IC50 and K-i values of 4.5 nM and 4 nM respectively. The conformational changes induced upon inhibitor binding to pepsin was monitored by far and near UV analysis, demonstrated that the inhibitor binds to the active site and causes inactivation. Chemical modification of the inhibitor with WRK and TNBS abolished the antiproteolytic activity of the inhibitor. (c) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Aspartic protease inhibitor, Low molecular weight, Slow-tight binding inhibition}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2012.04.002}, author = {Menon, Vishnu and Rao, Mala} } @article {42726, title = {Smart wireless temperature monitor \& control system}, journal = {UACEE International Journal of Computer Science and its Application}, volume = {2}, year = {2012}, month = {DEC}, pages = {56-60}, doi = {10.3850/ 978-981-07-2950-9_687}, author = {Patil, Rohit and Joshi, Dnyanesh and More, Rahul and Iyer, Neelima} } @article { ISI:000299332500004, title = {Sodium-doped lithium zirconate nano squares: synthesis, characterization and applications for CO2 sequestration}, journal = {Journal of Sol-Gel Science and Technology}, volume = {61}, number = {2}, year = {2012}, month = {FEB}, pages = {316-320}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Nano squares of sodium-doped lithium zirconate have been synthesized by a simple citrate based sol-gel method at room temperature in the presence of cetyl trimethylammonium bromide (CTAB) as a surfactant. The structural and morphological properties were investigated by X-ray diffraction (XRD) and Transmission Electron Microscopy (TEM) respectively. XRD analysis of sample calcined at 900 A degrees C for 4 h shows the formation of monoclinic lithium zirconate phase. The TEM shows the interesting morphology of formation of nano squares of sodium doped lithium zirconate sample. The carbon dioxide sorption capacity was carried out by TGA analysis at different high temperatures. It is observed that the sample shows similar to 20 wt\% carbon dioxide sorption at higher temperature (650 A degrees C) within 20 min which are better than the known reports.
}, keywords = {Carbon dioxide, CTAB, Lithium zirconate, Sodium doped lithium zirconate, sol-gel, TEM, XRD}, issn = {0928-0707}, doi = {10.1007/s10971-011-2629-y}, author = {Khokhani, Mrinal and Khomane, Ramdas B. and Kulkarni, Bhaskar D.} } @article { ISI:000298726300004, title = {Solid phase morphological diversity of a rare vanadium cubane (V4O16) based metal organic framework}, journal = {Crystal Growth \& Design}, volume = {12}, number = {1}, year = {2012}, month = {JAN}, pages = {12-17}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A Cu(II) connected V4O16-cubane based metal organic framework, Cu-2(phen)(2)(V4O8) (PO4)(4) [Cu2V4O16-2D] was synthesized under hydrothermal conditions. This is the first example of transition metal connected V4O16-cubane based MOF. X-ray single crystal data shows the alternate arrangement V4O16-cubane and Cu(phen)(O)(3) square pyramidal unit in two dimensions. These two-dimensional sheets are stacked on top of each other to form a three-dimensional architecture. Cu2V4O16-2D shows two types of solid state morphologies of the same phase, which was confirmed by scanning electron microscopy. It is noteworthy that this type of morphological difference of the solid phase in an extended metal organic hybrid material is rare and has not been perceived in the polyoxovanadate based MOFs literature. Cu2V4O16-2D was further characterized by powder X-ray diffraction (PXRD), thermal gravimetric analysis (TGA), IR-spectroscopy, scanning electron microscopy (SEM), and elemental analysis. We also studied the static magnetic and gas adsorption properties for Cu2V4O16-2D.
}, issn = {1528-7483}, doi = {10.1021/cg201030u}, author = {Dey, Chandan and Das, Raja and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000303366000056, title = {Solid-state thermolysis of anion induced metal-organic frameworks to ZnO microparticles with predefined morphologies: facile synthesis and solar cell studies}, journal = {Crystal Growth \& Design}, volume = {12}, number = {5}, year = {2012}, month = {MAY}, pages = {2572-2578}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Simple one-step solid state thermolysis of two Zn-based homochiral metal organic frameworks (MOFs) leads to a dramatic difference in morphologies which depends on the anion (-Cl and -Br) and calcination environment (air and N-2). Rod-shaped (aspect ratio similar to 20), hexagonal column shaped (aspect ratio similar to 3), and elliptical aggregation of ZnO morphologies (aspect ratio similar to 3) are obtained and characterized. Although these two MOFs possess similar rod-shaped morphology, they produce dramatic change in resulting ZnO microparticle morphologies (from rod-shaped ZnO microparticles in the case of thermolysis of MOP 1 to hexagonal column shaped ZnO microparticles in the case of MOF 2 thermolysis) when calcined in N-2 at 800 degrees C. However, when we calcined both MOF 1 and 2 in air, we encountered similar elliptical aggregation of ZnO microparticles. These ZnO microparticles show permanent porosity, visible light emission centered at 605 or 510 nm. Moreover, they show 0.15\% and 0.14\% dye sensitized solar cell activity. To the best of our knowledge, this is the first report of dye sensitized solar cell activity of ZnO microparticles obtained from one-step thermolysis of porous homochiral MOFs.
}, issn = {1528-7483}, doi = {10.1021/cg300174f}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Banerjee, Rahul} } @article { ISI:000311284900014, title = {Solution mediated phase transformation (RHO to SOD) in porous Co-imidazolate based zeolitic frameworks with high water stability}, journal = {Chemical Communications}, volume = {48}, number = {97}, year = {2012}, month = {OCT}, pages = {11868-11870}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Here we report a highly porous, water stable Co based ZIF [CoNIm (RHO)] and its solution mediated phase transformation to a less porous and water unstable ZIF [CoNIm (SOD)]. CoNIm (RHO) has high Langmuir surface area [2087 m(2) g(-1)] as well as high water adsorption [200 cm(3) (STP) g(-1)] capacity.
}, issn = {1359-7345}, doi = {10.1039/c2cc36651g}, author = {Biswal, Bishnu P. and Panda, Tamas and Banerjee, Rahul} } @article {42575, title = {Solution-processed inorganic bulk nano-heterojunctions and their application to solar cells}, journal = {Nature Photonics}, volume = {6}, year = {2012}, month = {JUL}, pages = {529{\textendash}534}, abstract = {
In the last decade, solution-processed quantum dot/nanocrystal solar cells have emerged as a very promising technology for third-generation thin-film photovoltaics because of their low cost and high energy-harnessing potential. Quantum dot solar cell architectures developed to date have relied on the use of bulk-like thin films of colloidal quantum dots. Here, we introduce the bulk nano-heterojunction concept for inorganic solution-processed semiconductors. This platform can be readily implemented by mixing different semiconductor nanocrystals in solution and allows for the development of optoelectronic nanocomposite materials with tailored optoelectronic properties. We present bulk nano-heterojunction solar cells based on n-type Bi2S3 nanocrystals and p-type PbS quantum dots, which demonstrate a more than a threefold improvement in device performance compared to their bilayer analogue, as a result of suppressed recombination.
}, doi = {10.1038/nphoton.2012.139}, author = {Rath, Arup Kumar and Bernechea, Maria and Martinez, Luis and Pelayo Garcia de Arquer, F. and Osmond, Johann and Konstantatos, Gerasimos} } @article { ISI:000300045200031, title = {Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C-H center dot center dot center dot O interactions}, journal = {CrystEngComm}, volume = {14}, number = {5}, year = {2012}, month = {DEC}, pages = {1716-1722}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The title compound produced three different types of solvent inclusion crystals having a conserved dimeric association via trifurcated C-H center dot center dot center dot O interactions between the diastereomers. These {\textquoteleft}dimeric{\textquoteright} units are organized differently to produce three crystal types containing guest molecules. In type I and II, unit translated dimers created voids for guest inclusion, whereas in type III the guest sites were produced by helical association of dimers. Inclusion of dichloromethane gave two different types of crystals; however, we were unable to obtain unsolvated crystals of the title compound.
}, issn = {1466-8033}, doi = {10.1039/c2ce06287a}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article { ISI:000296933200001, title = {Solvent-free coumarin synthesis via pechmann reaction using solid catalysts}, journal = {Microporous and Mesoporous Materials}, volume = {149}, number = {1}, year = {2012}, month = {FEB}, pages = {1-9}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A solvent-free versatile and efficient methodology, reported here, allows the synthesis of coumarin by hydroxyalkylation of phenols with ethyl or methyl acetoacetate (via Pechmann reaction) using trifluoromethanesulfonic acid (trifle acid) functionalised Zr-TMS (Zr-TMS, zirconia based transition metal oxide mesoporous molecular sieves) catalysts with different loadings of triflic acid over Zr-TMS (5-25 wt.\%) where the total acid strength of acid functionalised Zr-TMS material is increased as increasing loading of triflic acid from 5 to 25 wt.\% leading to correspond increased higher catalytic activity. (C) 2011 Elsevier Inc. All rights reserved.
}, keywords = {Coumarin, Ethyl acetoacetate, Functionalization, Pechmann reaction, Resorcinol, Zr-TMS}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2011.08.004}, author = {Kalita, Pranjal and Kumar, Rajiv} } @article { ISI:000302535600002, title = {Solvent-free one-pot synthesis of sulfonephthaleins from saccharin and phenols}, journal = {Synthetic Communications}, volume = {42}, number = {8}, year = {2012}, month = {OCT}, pages = {1101-1107}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Sulfonephthaleins can be synthesized in a single pot from saccharin and phenol via the in situ formation of 2-sulfobenzoic anhydride, followed by its reaction with phenol using H2SO4 as the condensing agent, in the absence of any solvent. This solvent-free synthesis is more economical and environmentally benign.
}, keywords = {H2SO4, Phenols, saccharin, sulfonephthalein}, issn = {0039-7911}, doi = {10.1080/00397911.2010.535946}, author = {Tillu, V. H. and Dumbre, Deepa K. and Borate, Hanumant B. and Wakharkar, R. D. and Choudhary, Vasant R.} } @article { ISI:000308345800010, title = {Solvent-free oxidation of aldehydes to acids by TBHP using environmental-friendly -exchanged Mg-Al hydrotalcite catalyst}, journal = {Journal of Chemical Sciences}, volume = {124}, number = {4}, year = {2012}, month = {JUL}, pages = {835-839}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
A number of hydrotalcite (Mg-Al, Mn-Al, Co-Al, Ni-Al, Mg-Fe, Mg-Cr and Cu-Al) catalysts, with or without MnO-exchange, were evaluated for their performance in the solvent-free oxidation of benzaldehyde to benzoic acid by tert-butyl hydroperoxide under reflux in the absence of any solvent. The MnO-exchanged Mg-Al-hydrotalcite (Mg/Al = 10) showed high activity in the oxidation of different aromatic and aliphatic aldehydes to their corresponding acids and also showed excellent reusability in the oxidation process which is environmental-friendly.
}, keywords = {acid, Aldehyde, MnO4-1-exchanged Mg-Al-hydrotalcite catalyst, Oxidation, TBHP}, issn = {0974-3626}, doi = {10.1007/s12039-012-0268-7}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Narkhede, Vijay S.} } @article { ISI:000305039700151, title = {Sono-chemical synthesis of ZnO nano-particles and their application in hydrogen sulphide gas sensing}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {12}, number = {3}, year = {2012}, month = {MAR}, pages = {2791-2796}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Herein we describe synthesis of ZnO nanoparticles by using alkaline solution of ZnX2 (X = NO3, Cl) under ultrasound energy of 20 KHz. The reaction can be completed in about 1-2 hours. As prepared powders were analyzed by XRD measurement to find that the product is hexagonal phase pure ZnO. UV-Visible measurement of aq. solution showed absorption band at similar to 365 nm and photoluminescence (PL) indicated multiple bands in visible region due to deep traps owing to high temperature sintering. The hydrophilicity can be imparted by use of a suitable polyelectrolyte. Freshly prepared samples showed good dispersion in aqueous and alcoholic medium. The thick films derived from the ZnO nano-particles showed excellent sensing for hydrogen sulphide gas.
}, keywords = {Gas-Sensing, Sono-Chemical, synthesis, ZnO Nano-Particles}, issn = {1533-4880}, doi = {10.1166/jnn.2012.5732}, author = {Khanna, P. K. and Kate, Kunal and Dhanabalan, K. and Banerjee, Shaibal and Reji, Nedunnkandathil and Shinde, S. D. and Jain, G. H.} } @article { ISI:000298827600079, title = {Sonogashira coupling reactions of bromomaleimides: route to alkyne/cis-Alkene/Alkyl maleimides: synthesis of luffarin X and cacospongionolide C}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {1}, year = {2012}, month = {JAN}, pages = {739-746}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Palladium-catalyzed Sonogashira coupling reaction of bromomaleimides with a diverse range of terminal alkynes has been demonstrated to furnish the corresponding alkynylmaleimides in very good yields. This coupling reaction followed by selective reduction of the triple bond to single bond have been utilized as the decisive steps to accomplish the first total synthesis of natural products (+/-)-luffarin X and (+/-)-cacospongionolide C.
}, issn = {0022-3263}, doi = {10.1021/jo2021218}, author = {Deore, Prashant S. and N. P. Argade} } @article { ISI:000311350000002, title = {Special Issue dedicated to Paul Ratnasamy on the occasion of his 70th birthday preface}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {1-2}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.10.011}, author = {Reddy, Benjaram M. and Sivasanker, S. and Ramaswamy, A. V.} } @article { ISI:000305742400008, title = {Stereoselective construction of 5,11-methanomorphanthridine and 5,10b-phenanthridine structural frameworks: total syntheses of (+/-)-pancracine, (+/-)-brunsvigine, (+/-)-maritidine, and (+/-)-crinine}, journal = {Pure and Applied Chemistry}, volume = {84}, number = {7}, year = {2012}, note = {23rd International Congress on Heterocyclic Chemistry (ICHC), Glasgow, SCOTLAND, JUL 31-AUG 04, 2011}, month = {MAY}, pages = {1597-1619}, publisher = {Virginia Taylor; Astra Zeneca; Chem Sci Scotland; Eisai; EPSRC; Glasgow City Council; GSK; IUPAC; Pfizer; Scottish Enterprise; Syngenta; Univ Strathclyde}, type = {Article}, address = {104 TW ALEXANDER DR, PO BOX 13757, RES TRIANGLE PK, NC 27709-3757 USA}, abstract = {
The core structure of the complex pentacyclic 5,11-methanomorphanthridine skeleton and the vicinal quaternary and tertiary stereocenters of the 5,10b-phenanthridine skeleton are constructed stereospecifically in one step employing intramolecular 1,3-dipolar cyclo addition of a nonstabilized azomethine ylide (AMY) generated by the sequential double desilylation of appropriate bis-trimethylsilylmethyl amines using Ag(I)F as a single-electron oxidant. The strategy is successfully applied for the total synthesis of biologically active alkaloids such as (+/-)-pancracine, (+/-)-brunsvigine, (+/-)-maritidine, and (+/-)-crinine.
}, keywords = {alkaloid synthesis, cycloadditions, organic synthesis, stereocontrolled synthesis}, issn = {0033-4545}, doi = {10.1351/PAC-CON-11-10-12}, author = {Pandey, Ganesh and Gadre, Smita R.} } @article { ISI:000310947900008, title = {Stereospecific synthesis of C-arabinofuranosides and carba-disaccharide analogues of Motif C of cell wall AG complex of Mtb}, journal = {Tetrahedron Letters}, volume = {53}, number = {47}, year = {2012}, month = {NOV}, pages = {6347-6350}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple strategy for the synthesis of alpha- and beta-C-arabinofuranosides featuring a furan ring transposition reaction has been developed. A novel double furan ring transposition reaction has proposed and executed for the synthesis of the carba-disaccharide analogue of Motif C of the cell wall AG complex of Mtb. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Arabinose, C-Glycosides, Carba-disaccharide, Cell wall AG complex, Ring transposition}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.09.015}, author = {Patil, Rahul S. and Ahire, Ketan M. and Ramana, C. V.} } @article { ISI:000298839400032, title = {Strength from weakness: the role of CH center dot center dot center dot N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles}, journal = {Crystengcomm}, volume = {14}, number = {2}, year = {2012}, month = {OCT}, pages = {519-524}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Crystal engineering has succeeded in the design and construction of various architectures such as tapes, ribbons, rosettes, layers etc. Though wavy layer packing is known to occur in crystals, no crystal engineering attempts have been ventured to create wavy layer topology in crystals. Aromatic nitrogen heterocyclics (ANHs) are known to preferentially self assemble in lateral fashion through edge-to-edge CH center dot center dot center dot N hydrogen bonds. Exploiting this preferential lateral assembly of ANHs, we have engineered wavy layer architectures in the crystals of various substituted quinolines.
}, issn = {1466-8033}, doi = {10.1039/c1ce05997a}, author = {Shivakumar, Kota and Vidyasagar, Adiyala and Naidu, Andra and Gonnade, Rajesh G. and Sureshan, Kana M.} } @article { ISI:000311804700002, title = {Stress inducible proteinase inhibitor diversity in capsicum annuum}, journal = {BMC Plant Biology}, volume = {12}, year = {2012}, month = {NOV}, pages = {217}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {
Background: Wound-inducible Pin-II Proteinase inhibitors (PIs) are one of the important plant serine PIs which have been studied extensively for their structural and functional diversity and relevance in plant defense against insect pests. To explore the functional specialization of an array of Capsicum annuum (L.) proteinase inhibitor (CanPIs) genes, we studied their expression, processing and tissue-specific distribution under steady-state and induced conditions. Inductions were performed by subjecting C. annuum leaves to various treatments, namely aphid infestation or mechanical wounding followed by treatment with either oral secretion (OS) of Helicoverpa armigera or water. Results: The elicitation treatments regulated the accumulation of CanPIs corresponding to 4-, 3-, and 2-inhibitory repeat domains (IRDs). Fourty seven different CanPI genes composed of 28 unique IRDs were identified in total along with those reported earlier. The CanPI gene pool either from uninduced or induced leaves was dominated by 3-IRD PIs and trypsin inhibitory domains. Also a major contribution by 4-IRD CanPI genes possessing trypsin and chymotrypsin inhibitor domains was specifically revealed in wounded leaves treated with OS. Wounding displayed the highest number of unique CanPIs while wounding with OS treatment resulted in the high accumulation of specifically CanPI-4, -7 and -10. Characterization of the PI protein activity through two dimensional gel electrophoresis revealed tissue and induction specific patterns. Consistent with transcript abundance, wound plus OS or water treated C. annuum leaves exhibited significantly higher PI activity and isoform diversity contributed by 3- and 4-IRD CanPIs. CanPI accumulation and activity was weakly elicited by aphid infestation yet resulted in the higher expression of CanPI-26, -41 and -43. Conclusions: Plants can differentially perceive various kinds of insect attacks and respond appropriately through activating plant defenses including regulation of PIs at transcriptional and post-translational levels. Based on the differentially elicited CanPI accumulation patterns, it is intriguing to speculate that generating sequence diversity in the form of multi-IRD PIs is a part of elaborative plant defense strategy to obtain a diverse pool of functional units to confine insect attack.
}, keywords = {CanPI, Herbivory, Oral secretions, Pin-II type proteinase inhibitors, Plant-insect interaction}, issn = {1471-2229}, doi = {10.1186/1471-2229-12-217}, author = {Mishra, Manasi and Mahajan, Neha S. and Tamhane, Vaijayanti A. and Kulkarni, Mahesh J. and Baldwin, Ian T. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000309885500028, title = {Strong metal-metal coupling in mixed-valent intermediates [Cl(L)Ru(mu-tppz)Ru(L)Cl](+), L = beta-diketonato ligands, tppz=2,3,5,6-tetrakis(2-pyridyl)pyrazine}, journal = {Dalton Transactions}, volume = {41}, number = {43}, year = {2012}, month = {SEP}, pages = {13429-13440}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Five diruthenium(II) complexes [Cl(L)Ru(mu-tppz)Ru(L)Cl](1-5) containing differently substituted beta-diketonato derivatives (1: L = 2,4-pentanedionato; 2: L = 3,5-heptanedionato; 3: L = 2,2,6,6-tetramethyl-3,5-heptanedionato; 4: L = 3-methyl-2,4-pentanedionato; 5: L = 3-ethyl-2,4-pentanedionato) as ancillary ligands (L) were synthesized and studied by spectroelectrochemistry (UV-Vis-NIR, electron paramagnetic resonance (EPR)). X-ray structural characterisation revealed anti (1, 2, 5) or syn (3) configuration as well as non-planarity of the bis-tridentate tppz bridge and strong d pi(Ru-II) -\> pi*(pyrazine, tppz) back-bonding. The widely separated one-electron oxidation steps, (RuRuII)-Ru-II/(RuRuIII)-Ru-II and (RuRuIII)-Ru-II/(RuRuIII)-Ru-III, result in large comproportionation constants (K-c) of \>= 10(10) for the mixed-valent intermediates. The syn-configurated 3(n) exhibits a particularly high K-c of 10(12) for n = 1+, accompanied by density functional theory (DFT)-calculated minimum Ru-N bond lengths for this (RuRuIII)-Ru-II intermediate. The electrogenerated mixed-valent states 1(+)-5(+) exhibit anisotropic EPR spectra at 110 K with average values \< g \> of 2.304-2.234 and g anisotropies Delta g = g(1)-g(3) of 0.82-0.99. Metal-to-metal charge transfer (MMCT) absorptions occur for 1(+)-5(+) in the NIR region at 1660 nm-1750 nm (epsilon approximate to 2700 dm(3) mol(-1) cm(-1), Delta nu(1/2) approximate to 1800 cm(-1)). DFT calculations of 1(+) and 3(+) yield comparable Mulliken spin densities of about 0.60 for the metal ions, corresponding to valence-delocalised situations (Ru-2.5)(2). Rather large spin densities of about -0.4 were calculated for the tppz bridges in 1(+) and 3(+). The calculated electronic interaction values (V-AB) for 1(+)-5(+) are about 3000 cm(-1), comparable to that for the Creutz-Taube ion at 3185 cm(-1). The DFT calculations predict that the (RuRuIII)-Ru-III forms in 12(+)-52(+) prefer a triplet (S = 1) ground state with Delta E (S = 0 - S = 1) similar to 5000 cm(-1). One-electron reduction takes place at the tppz bridge which results in species [Cl(L)Ru-II(mu-tppz(.-)) Ru-II(L)Cl](-) (1(.-)-3(.-), 5(.-)) which exhibit free radical-type EPR signals and NIR transitions typical of the tppz radical anion. The system 4(n) is distinguished by lability of the Ru-Cl bonds.
}, issn = {1477-9226}, doi = {10.1039/c2dt31763j}, author = {Kundu, Tanaya and Schweinfurth, David and Sarkar, Biprajit and Mondal, Tapan Kumar and Fiedler, Jan and Mobin, Shaikh M. and Puranik, Vedavati G. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000302817400015, title = {Structural and surface morphological properties of chemically deposited Mo0.5W0.5S2 thin film}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {23}, number = {4}, year = {2012}, month = {APR}, pages = {909-912}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Preparation of layered type semiconductor Mo0.5W0.5S2- thin films has been successfully done by using chemical bath deposition method. Objective of the studies are related to structural, optical, morphological and electrical properties of the thin films. The preparation method is based on the reaction between tartarate complex of Mo and W with thiourea in an aqueous alkaline medium at 363 K. X-Ray diffraction reveals a polycrystalline film composed of both MoS2 and WS2 phases. The optical study shows that the band gap of the film is 1.6 eV. Electrical conductivity is high which is in the order of 10(-3)-10(-2) (Omega cm)(-1).
}, issn = {0957-4522}, doi = {10.1007/s10854-011-0519-2}, author = {Patil, A. A. and Hankare, P. P. and Gaikwad, A. B. and Garadkar, K. M.} } @article { ISI:000301295900015, title = {Structural determination and chemical esterification of the sophorolipids produced by Candida bombicola grown on glucose and alpha-linolenic acid}, journal = {Biotechnology Letters}, volume = {34}, number = {4}, year = {2012}, month = {APR}, pages = {701-707}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The extracellular surface-active glycolipids produced by the yeast, Candida bombicola when grown on glucose and alpha-linolenic acid, were analyzed by HPLC with electro-spray ionization (ESI-MS) and collision-induced dissociation mass spectrometry. The analysis confirmed that the sophorolipid (SL) mixture contained three different forms of C18:3 SL molecules: free acid, lactone and a diacetylated lactone, which has not been reported previously. Also a minor amount of diacetylated lactone form of C18:1 SL was detected. Further, the SL mixture was subjected to chemical esterification reaction with sodium methoxide. The reaction product was analyzed with ESI-MS and confirmed to be the single homogenous esterified product containing C18:3 moieties in its fatty acid chain.
}, keywords = {Candida bombicola, Collision-induced dissociation mass spectrometry, Electrospray ionization mass spectrometry, HPLC, Linolenic acid, Sophorolipid methyl ester}, issn = {0141-5492}, doi = {10.1007/s10529-011-0818-y}, author = {Gupta, Reetika and Prabhune, Asmita} } @article { ISI:000301509500005, title = {Structural, dynamical, and thermodynamical properties of carbon nanotube polycarbonate composites: a molecular dynamics study}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {10}, year = {2012}, month = {MAR}, pages = {3083-3091}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
All-atom molecular dynamics simulations are performed on pure monomer and trimer of polycarbonate and their mixtures with different molecular weight percentages of embedded single walled carbon nanotubes at different temperatures to study the structural and dynamical properties of the composite system. The diffusion behaviors of monomer, trimer of polycarbonate and carbon nanotubes in composite matrices are investigated and compared with pure matrices in details. Both structural and dynamical properties indicate the weak interaction between the nanotubes and matrix molecules. The high tendency of nanotubes to form bundles is observed during simulation. The bundle formation free energy has been calculated from the potential of mean force calculations. The mechanism and energetics of bundle formation is explored in the atomistic scale. The formation of the carbon nanotube bundle is a favorable process in the oligomeric polycarbonate matrix.
}, issn = {1520-6106}, doi = {10.1021/jp212220m}, author = {Chakraborty, Souvik and Roy, Sudip} } @article { ISI:000306215900061, title = {Structure engineering of naphthalene diimides for improved charge carrier mobility: self-assembly by hydrogen bonding, good or bad?}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {30}, year = {2012}, month = {MAY}, pages = {15235-15246}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Two families of naphthalene diimide (NDI) derivatives were compared and contrasted for the effect of self-assembly on charge carrier transport. One series of NDI derivatives had a terminal phenyl ring attached to a hexyl spacer substituted naphthalene core either through an ester or an amide linkage (NDI-E and NDI-A, respectively), while the other series had a 3,4,5-tridodecyloxy phenyl unit (NDI-E3, NDI-A3) instead of the terminal phenyl unit. Solution processed thin films of these molecules exhibited n-type charge transport characteristics in a bottom gate top contact organic field effect transistor (OFET) geometry. The amide derivatives showed evidence of self-organization with observation of red shifted aggregate emission in solution as well as solid state. Variable temperature FTIR studies in the solid state confirmed the existence of strong hydrogen bonding which could be broken only at very high temperature. However, contrary to expectations, the NDI ester derivatives showed better device efficiency with electron mobilities in the range 8.5 x 10(-3) to 2 x 10(-2) cm(2) V-1 s(-1) and on/off ratio similar to 10(4). The thin film crystallinity and morphology of NDI-E and NDI-A were examined through X-ray diffraction and atomic force microscopy (AFM). The correlation of crystallinity, hydrogen bonding and charge carrier mobility was studied using energy minimized structures from density functional theory (DFT). The higher electron mobility of ester linked NDI derivatives over the amide linked ones was attributed to the freedom in charge transport pathways offered by a three dimensional crystalline organization in the ester compared to the restricted directional hydrogen bonding interaction in the amide derivatives.
}, issn = {0959-9428}, doi = {10.1039/c2jm32554c}, author = {Kolhe, Nagesh B. and Devi, R. Nandini and Senanayak, Satyaprasad P. and Jancy, B. and Narayan, K. S. and Asha, S. K.} } @article { ISI:000309645000013, title = {Studies on the resistive response of nickel and cerium doped SnO2 thick films to acetone vapor}, journal = {Ceramics International}, volume = {38}, number = {8}, year = {2012}, month = {DEC}, pages = {6171-6179}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Undoped and Ni, Ce-doped nanocrystalline tin oxide were synthesized by co-precipitation route. Doped as well as undoped SnO2 compositions revealed single phase structure without any impurity. The lattice constant of SnO2 increases and the grain size decreases with doping of Ni and Ce. The responses of the sensing elements are evaluated by measuring the resistance change upon exposure to various test gases such as liquid petroleum gas (LPG), acetone, ethanol and ammonia. In comparison to LPG, ethanol, and ammonia the response towards acetone vapor increases markedly on simultaneous doping of Ni and Ce. For acetone vapors with 500 ppm at 300 degrees C, the undoped SnO2 shows 31\% response, while with individual Ni or Ce doping it increases to 38 and 60\%, respectively, however with simultaneous doping of Ni and Ce there is a significant enhancement up to 92\%. The results of gas sensing measurements reveal that the thick films deposited on alumina substrates using screen printing technique give selectively a high response of (87\%) with fast recovery (similar to 1 min) towards 100 ppm acetone at 300 degrees C. (c) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {(Ni plus Ce)-doping, Acetone vapor, Screen-printing, SnO2}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2012.04.068}, author = {Bagal, L. K. and Patil, J. Y. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000312564500027, title = {Studies toward the synthesis of potent anti-inflammatory peptides solomonamides A and B: synthesis of a macrocyclic skeleton and key fragment 4-amino-6-(2 {\textquoteleft}-amino-4 {\textquoteleft}-hydroxyphenyl)-3-hydroxy-2-methyl-6-oxohexanoic acid (AHMOA)}, journal = {Organic Letters}, volume = {14}, number = {24}, year = {2012}, month = {DEC}, pages = {6222-6225}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A first synthetic effort toward total synthesis of highly potent solomonamides is disclosed. An efficient strategy to synthesize this class of compounds, along with the synthesis of a core macrocycle (shown in red) and the key fragment AHMOA, is described.
}, issn = {1523-7060}, doi = {10.1021/ol303149k}, author = {Kashinath, K. and Vasudevan, N. and Reddy, D. Srinivasa} } @article { ISI:000304851500040, title = {Sugar-amino acid cyclic conjugates as novel conformationally constrained hydroxyethylamine transition-state isosteres}, journal = {Tetrahedron Letters}, volume = {53}, number = {26}, year = {2012}, month = {JUN}, pages = {3361-3363}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Hydroxyethylamine (HEA) isosteres have previously been shown to display a multitude of biomedical applications. In fact, the first protease inhibitor, saquinavir is an HEA based peptidomimetic. Herein we describe an easy-to-operate synthetic route to a series of carbohydrate-based conformationally constrained hydroxyethylamine (HEA) isosteres featuring amino acid side chains, starting from D-glucose. This class of novel sugar-amino acid-tethered conformationally restricted HEA systems may have bearing in practical application, particularly in the development of conformationally restricted protease inhibitors. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Conformationally constrained, D-Glucose, hydroxyethylamine isosteres, protease inhibitor, Reductive amination}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.04.086}, author = {Roy, Arup and Sanjayan, Gangadhar J.} } @article { ISI:000307202800028, title = {Supported copper triflate as an efficient catalytic system for the synthesis of highly functionalized 2-naphthol Mannich bases under solvent free condition}, journal = {Tetrahedron Letters}, volume = {53}, number = {33}, year = {2012}, month = {AUG}, pages = {4376-4380}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Various heterogeneous catalysts (Lewis acid) have been prepared and screened for the synthesis of Betti bases in an attempt to reduce the environmental hazards associated with the conventional homogeneous Lewis acid system. And we found especially Cu(OTf)(2)center dot SiO2 catalyzes the three-component coupling of aldehyde, 2-naphthol, and alicyclic amine to generate Betti base with high efficiency under neat conditions without additional co-catalyst or additive in air. The reaction is not sensitive to water and occurs smoothly in water as well. (c) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Betti bases, single-crystal XRD, Solvent-free, Supported copper triflate, Three-component coupling}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.06.022}, author = {Dindulkar, Someshwar D. and Puranik, Vedavati G. and Jeong, Yeon Tae} } @article {43315, title = {Supramolecular interaction facilitated small molecule films for organic field effect transistors}, journal = {Polymer Chemistry}, volume = {3}, year = {2012}, month = {APR}, pages = {1641-1646}, abstract = {Metalloporphyrins and metal free porphyrins have been explored as active materials in field effect transistors. Amorphous forms of these porphyrins are preferred over their crystalline analogue due to the ease of solution processability. To achieve solution processability, a metalloporphyrin was anchored on a vinyl polymer by taking advantage of the supramolecular interaction between the metal and the pyridine moiety of the polymer. Non covalent bonding was preferred because it provides an opportunity to better manipulate the polymer{\textquoteright}s properties compared to its covalent bonding analogue. The binding between the porphyrin and the polymer was optimised in solution and the supramolecular complex was spun on various substrates to form thin films. The porphyrin was found to be uniformly distributed throughout the polymer films contrary to the existing approaches, wherein small molecule phase segregates in the polymer film. Field effect transistors were fabricated using the porphyrin-polymer complex and the device parameters were measured at atmospheric condition. The devices annealed at 80 degrees C showed hole carrier mobility of 2.0 x 10(-4) cm(2) V-1 s(-1) with charge trapping at the dielectric semiconductor interface. Furthermore, the high carrier mobility observed at low temperature annealing makes this supramolecular complex an attractive candidate to explore in flexible substrates.}, doi = {10.1039/c2py20146a}, author = {Arulkashmir, Arulraj and Mahale, Rajashree Y. and Dharmapurikar, Satej S. and Jangid, Manoj K. and Krishnamoorthy, Kothandam} } @article { ISI:000311858600006, title = {Supramolecular synthon transferability and gelation by diprimary ammonium monocarboxylate salts}, journal = {Crystal Growth \& Design}, volume = {12}, number = {12}, year = {2012}, month = {DEC}, pages = {5864-5868}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Earlier studies revealed that primary ammonium dicarboxylate (PAD) salts possessed gelling ability, and many such salts displayed a 1D columnar hydrogen bonded network (observed in primary ammonium monocarboxylate (PAM) salts) on either side of the dicarboxylate end of the anion. In the present study, a new series of diprimary ammonium monocarboxyate (DPAM) salts have been prepared with the aim of achieving supramolecular synthon transferability (the same 1D columnar hydrogen PAM bonded network on either side of the diammonium cation) in these salts. Single crystal X-ray diffraction studies revealed that, in 47\% of the DPAM salts, such supramolecular synthon transferability indeed took place. Some of the DPAM salts also showed gelation ability. The gels were characterized by DSC, rheology, electron microscopy, and atomic force microscopy. Structure property correlation using single crystal and powder X-ray diffraction data on a selected gel was also attempted.
}, issn = {1528-7483}, doi = {10.1021/cg301242p}, author = {Das, Uttam Kumar and Puranik, Vedavati G. and Dastidar, Parthasarathi} } @article { ISI:000309645000077, title = {Surface characterization of Au-ZnO nanowire films}, journal = {Ceramics International}, volume = {38}, number = {8}, year = {2012}, month = {DEC}, pages = {6665-6670}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Au-ZnO nanowire films have been synthesized by annealing Zn foils coated with a thin layer of gold. An X-ray diffraction study found that the synthesized ZnO consists mainly of a hexagonal wurtzite structure along with a small amount of AuZn3 phase. Scanning electron images showed that the ZnO wires extend to several microns in length. X-ray photoelectron spectroscopy studies confirmed the oxidation states of Au and Zn. An asymmetric O ls peak indicates the presence of oxygen in an oxide layer and O H groups on the films surfaces. Photoluminescence (PL) spectra showed different visible peaks for pre-annealed films, while for annealed films an UV peak appeared. In addition, the PL analysis showed that the overall intensity of photoluminescence decreased significantly after the films were annealed. Raman spectroscopy results also indicated that the crystalline quality of the films improved with annealing. This could be attributed to a decrease in oxygen vacancies and/or absorption of O-H groups on the surface of ZnO film. The highly hydrophilic surface with a water contact angle of similar to 155 degrees was obtained after annealing in air. (c) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {Au-ZnO, Highly hydrophilic, Nanowires, XPS}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2012.05.054}, author = {Jamali-Sheini, Farid and Yousefi, Ramin and Patil, K. R.} } @article { ISI:000304401600015, title = {Surface species of supported ruthenium catalysts in selective hydrogenation of levulinic esters for bio-refinery application}, journal = {Catalysis Letters}, volume = {142}, number = {6}, year = {2012}, month = {JUN}, pages = {779-787}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Several supported noble metal catalysts were screened for the hydrogenation of methyl levulinate to gamma-valerolactone (GVL). Among these catalysts 5 \% Ru/C showed the highest conversion of 95 \% of methyl levulinate with 91 \% selectivity to GVL. A detailed characterization was carried out using TPR, XRD, XPS and BET techniques. XPS studies revealed that higher extent of Ru-0 species in case of carbon supported Ru was responsible for its higher hydrogenation activity as compared to Ru on other supports. Effect of process parameters such as temperature, H-2 pressure, catalyst and substrate concentration and metal loading on methyl LA conversion and selectivity to GVL also has been studied. 5 \% Ru/C catalyst was found to be stable up to five reuses.
}, keywords = {5 \% Ru/C, Biofeedstock, gamma-Valerolactone, H-2-TPR, Hydrogenation, Methyl levulinate, XPS}, issn = {1011-372X}, doi = {10.1007/s10562-012-0822-4}, author = {Hengne, Amol M. and Biradar, Narayan S. and Rode, Chandrashekhar V.} } @article { ISI:000309024900024, title = {Swift heavy ion induced formation of Al/polymer composite layer for low thermal emissivity in the IR range}, journal = {Nuclear Instruments \& Methods in Physics Research Section B-Beam Interactions with Materials and Atoms}, volume = {287}, year = {2012}, month = {SEP}, pages = {135-140}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Composites of polymers with aluminium were formed by swift high energy ions of 150 MeV, which are used as low thermal emissivity materials for infrared wavelengths between 8-14 mu m. Emissivity and dielectric constants were studied for these structures. A semi-empirical model has been established to obtain the relation between emissivity and dielectric constant. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {composites, dielectric constant, Swift heavy ion, Thermal emissivity}, issn = {0168-583X}, doi = {10.1016/j.nimb.2012.06.005}, author = {Babrekar, Harshada A. and Jog, Jyoti Prakash and Mathe, Vikas L. and Avasthi, D. K. and Ojha, S. and Bhoraskar, S. V.} } @article { ISI:000301098700068, title = {Syntheses, crystal structures, and magnetic properties of metal-organic hybrid materials of Co(II) using flexible and rigid nitrogen-based ditopic ligands as spacers}, journal = {Crystal Growth \& Design}, volume = {12}, number = {3}, year = {2012}, month = {MAR}, pages = {1571-1578}, abstract = {
{A carboxylate-based flexible ligand, 5-(4-carboxybenzyloxy)isophthalic acid (p-cbiaH(3)), readily reacts with Co(II) salts in the presence of different pyridine-based coligands such as 4-bis(4-pyridinylmethyl)piperazine (bpmp) or 1,2-di(4-pyridyl)ethylene (dpe) under hydrothermal conditions to afford two different three-dimensional (3D) coordination polymers, {[Co-4(OH)(2)(p-cbia)(2)(bpmp)-(H2O)(3)]center dot 2H(2)O}(n) (1) and {[Co-4(OH)(2)(p-cbia)(2)(dpe)(H2O)(4)]center dot 2H(2)O\
}, author = {Ahmad, Musheer and Sharma, Mamsh K. and Das, Raja and Poddar, Pankai and Bharadwaj, Parimal K.} } @article { ISI:000303086200012, title = {Synthesis and antifungal activity of 1,5-disubstituted-1,2,3-triazole containing fluconazole analogues}, journal = {Medchemcomm}, volume = {3}, number = {4}, year = {2012}, month = {APR}, pages = {484-488}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Fluconazole based novel mimics containing 1,5-disubstituted 1,2,3-triazoles were synthesized by using Ru catalysed 1,3 dipolar cycloaddition. All the newly synthesized compounds and pure enantiomers were more potent than fluconazole against Candida albicans. Docking of 9A and 9B showed different conformation in the active site of Cyp51 of Candida albicans. The more active compounds 2 and 2A did not exhibit any toxicity up to 3.12 mu g mL(-1) against mammalian cell line L929.
}, issn = {2040-2503}, doi = {10.1039/c2md00205a}, author = {Pore, Vandana S. and Jagtap, Manisha A. and Agalave, Sandip G. and Pandey, Atindra K. and Siddiqi, Mohammad I. and Kumar, Vikash and Shukla, Praveen K.} } @article { ISI:000307390600009, title = {Synthesis and characterization of a new diol-functionalized s-triazine-based polymerizable hindered amine light stabilizer}, journal = {Journal of Vinyl \& Additive Technology}, volume = {18}, number = {3}, year = {2012}, month = {SEP}, pages = {204-208}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A new diol-functionalized triazine-based polymerizable hindered amine light stabilizer (HALS) was synthesized in two steps. First, selective synthesis of an s-triazine containing two HALS moieties as substituents was accomplished by using phase-transfer catalysis. This step required the establishment of optimum reaction conditions (type of two-phase system, best solvent, and catalyst). In the second step, the substituted triazine was treated with diethanolamine to introduce polymerizable diol functionality. The resulting product should act as a light stabilizer, since it contains two HALS moieties anchored to a thermally stable s-triazine unit. Moreover, incorporation of the diol into a polymeric material might be expected to impart prolonged stability in weathering environments. Characterization of the diol was accomplished by using Fourier transform infrared spectroscopy (FTIR), {\textquoteleft}H NMR, and mass spectrometry. J. VINYL ADDIT. TECHNOL., 18:204208, 2012. (c) 2012 Society of Plastics Engineers
}, issn = {1083-5601}, doi = {10.1002/vnl.20306}, author = {Mehare, Rupali S. and Lonkar, Sunil P. and Singh, R. P.} } @article { ISI:000324503204546, title = {Synthesis and self-assembly of glycopolypeptides}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {243}, year = {2012}, note = {243rd National Spring Meeting of the American-Chemical-Society, San Diego, CA, MAR 25-29, 2012}, month = {MAR}, publisher = {Amer Chem Soc}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0065-7727}, author = {Pati, Debasis and Sen Gupta, Sayam} } @article { ISI:000300076200019, title = {Synthesis and stereochemistry of highly crowded N-benzylpiperidones}, journal = {Journal of Molecular Structure}, volume = {1007}, year = {2012}, month = {JAN}, pages = {158-167}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A series of N-benzylated 3,5-diakyl-2,6-diarylpiperidin-4-ones 4-8 were conveniently synthesized in significant yields of 68-88\% by N-benzylation of the corresponding 2,6-diaryl-3,5-dimethylpiperidin-4-ones 1-3 using different benzyl bromides. Initially, the new piperidone 2,6-bis(4-ethoxypheny1)-3,5-dimethylpiperidin-4-one 3 was synthesized by the condensation of 1:1:2 M ratio of 3-pentanone, ammonium acetate and para-ethoxybenzaldehyde in ethanolic medium. All the synthesized new compounds 3-8 were characterized by their analytical and spectral (IR, H-1 and C-13 NMR) interpretations. The stereochemistry of the new piperidone 3 was elucidated as chair conformation with an equatorial orientation of all substituents, suggested by its vicinal couplings from H-1 NMR spectrum. To investigate the impact on piperidone stereochemistry as well as NMR chemical shifts, all the N-benzylated products 4-8 were compared with their corresponding precursors, and as a result, it is clearly established that all the synthesized N-benzyl piperidones exist in the chair conformation with an equatorial orientation of all the substituents at C-2, C-3, C-5, C-6 and N. Contrary to the probability all N-benzylated compounds retain the same conformation and configuration as their precursors, however, a remarkable change on the chemical shifts are observed. For the further unambiguous confirmation of stereochemistry, the 1-benzyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one 4 was examined by single-crystal X-ray diffraction. The compound 4, C26H27NO, crystallized in a P-1 space group under triclinic system with unit cell dimensions a, b, c (angstrom) and alpha, beta, gamma (degrees) of 10.156(2), 11.002(2), 11.348(4) and 116.74(4), 100.81(3), 100.17(3), respectively. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Chair conformation, Configuration, crystal structure, N-benzylation, NMR, Piperidin-4-one}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2011.10.037}, author = {Dindulkar, Someshwar D. and Parthiban, Paramasivam and Puranik, Vedavati G. and Jeong, Yeon Tae} } @article { ISI:000303157400022, title = {Synthesis and structural characterization of homochiral homo-oligomers of cis-gamma-methoxy-substituted cis- and trans-furanoid-beta-amino acids}, journal = {European Journal of Organic Chemistry}, number = {13}, year = {2012}, month = {MAY}, pages = {2656-2663}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Herein we describe the synthesis of cis-/trans-3-aminotetrahydrofuran-2-carboxylic acids (cis-/trans-FAA) having a ?-methoxy group cis to the amine. The homo-oligomers of these two diastereomeric FAAs have been prepared. Preliminary investigation of their solution secondary structures revealed that they are the same as the homo-oligomers of the parent cis-/trans-FAA with the methoxy group only being a spectator substituent.
}, keywords = {Amino acids, helical structures, Oxygen heterocycles, Peptides}, issn = {1434-193X}, doi = {10.1002/ejoc.201101424}, author = {Giri, Awadut G. and Jogdand, Ganesh F. and Rajamohanan, Pattuparampil R. and Pandey, Sunil K. and Ramana, Chepuri V.} } @article { ISI:000308279900043, title = {Synthesis, characterization, and magnetic studies of coordination polymers with Co(II) and Mn(II) ions}, journal = {Crystal Growth \& Design}, volume = {12}, number = {9}, year = {2012}, month = {SEP}, pages = {4624-4632}, abstract = {
{An ether bridged tricarboxylic acid ligand, 5-(4-carboxybenzyloxy)isophthalic acid (p-cbiaH(3)) has been used to construct three coordination polymers with Co(II) salts in presence of different nitrogen donor ligands such as 1,4-bis(4-pyridinylmethyl)piperazine (bpmp), dipyridine-4-yl-diazene (dpd), and 4,4{\textquoteright}-bipyridine (bpy). The products formed under hydrothermal conditions are formulated as {[Co-3(p-cbia)(2)(bpmp)(2)(H2O)(6)]center dot 10H(2)O}(n) (1), {[Co-2(p-cbiaH)(2)(dpd)(H2O)(2)]\
}, author = {Ahmad, Musheer and Das, Raja and Lama, Prem and Poddar, Pankaj and Bharadwaj, Parimal K.} } @article { ISI:000303442500017, title = {Synthesis of functional hybrid silica scaffolds with controllable hierarchical porosity by dynamic templating}, journal = {Chemical Communications}, volume = {48}, number = {43}, year = {2012}, month = {MAR}, pages = {5292-5294}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report a facile one-pot synthesis of hierarchically porous scaffolds, with independent control over nanoparticle mesoporosity and scaffold macroporosity. Our technique combines the chemistry of mesoporous silica nanoparticles with the control afforded by dynamic templating of surfactant mesophases. These materials are readily functionalizable and allow controllable spatial variation in macroporosity.
}, issn = {1359-7345}, doi = {10.1039/c2cc30885a}, author = {Ganai, Anal Kumar and Kumari, Sushma and Sharma, Kamendra P. and Panda, Chakadola and Kumaraswamy, Guruswamy and Sen Gupta, Sayam} } @article { ISI:000309382100040, title = {Synthesis of glycidol from glycerol and dimethyl carbonate using ionic liquid as a catalyst}, journal = {Catalysis Communications}, volume = {27}, year = {2012}, month = {OCT}, pages = {184-188}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Transesterification of dimethyl carbonate with glycerol has been investigated using various ionic liquids as catalysts. Synthesis of glycidol with high selectivity (78\%) has been achieved using tetramethylammonium hydroxide ([TMA][OH]) as a catalyst at 80 degrees C. Effect of various reaction conditions on the activity and selectivity was investigated and catalyst concentration had a significant influence on conversion as well as selectivity to glycidol. Activity as well as selectivity of the catalyst decreased significantly with increase in moisture content. Recycle experiment indicated slight drop in glycerol conversion and selectivity to glycidol because of dilution of reaction mixture and also the presence of products from the initial experiment. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Glycerol carbonate, Glycidol, Ionic liquid, Transesterification of glycerol}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.07.003}, author = {Gade, Swapna M. and Munshi, Mudassir K. and Chherawalla, Batul M. and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000310947900007, title = {Synthesis of isomeric corniculatolides}, journal = {Tetrahedron Letters}, volume = {53}, number = {47}, year = {2012}, month = {NOV}, pages = {6343-6346}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Synthesis of three natural macrolides 11-O-methylcorniculatolide A, 11-O-methylisocorniculatolide A and isocorniculatolide A is reported using a simple, straight forward and high-yielding route. The present synthesis confirms the assigned molecular structures and provides an access to sufficient quantities of the natural products for the biological evaluation. In addition, we have determined the anti-TB potential of the three natural compounds using Alamar-Blue assay (H(37)Rv) and found no significant inhibitory activity at 100 mu g/ml. Excellent yields, short sequence and useful SAR information are the highlights of the present work. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Diaryl ether, Isocorniculatolide, Macrocyclization, Mitsunobu reaction, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.09.010}, author = {Raut, Gajanan N. and Chakraborty, Kasturi and Verma, Priyanka and Gokhale, Rajesh S. and Reddy, D. Srinivasa} } @article {42647, title = {Synthesis of linear polylactic acid {\textendash}based urethanes using tin modified closite -30b catalyst}, journal = {Advance Material Letters}, volume = {3}, year = {2012}, month = {JAN}, pages = {161 - 171}, author = {Selukar, Balaji S. and Parwe, Sharad P. and Mohite, Kavita K. and Garnaik, Baijayantimala} } @article {42710, title = {Synthesis of polyamides from diols and diamines with liberation of H2}, journal = {Journal of Polymer Science Part A: Polymer Chemistry}, volume = {50}, year = {2012}, month = {MAY}, pages = {1755{\textendash}1765}, abstract = {
The amidation reaction based on catalytic coupling of alcohols with amines previously reported by us, using the pincer complexes 1 and 2 as catalysts, was applied to the generation of polyamides from nonactivated diols and diamines. A range of polymers was prepared, with Mn up to 26.9 kDa. Unlike the traditional syntheses of polyamides based on carboxylic acid derivatives, which require the use of toxic reagents and generate stoichiometric amounts of waste, this process generates only molecular hydrogen as byproduct. Both aromatic and aliphatic diols and diamines were used. Gel permeation chromatography measurements of the dimethylformamide-soluble polymers and thermal studies of the polyamides were performed. Matrix assisted laser desorption/ionization time-of-flight (MALDI-TOF) spectra are also reported. Thermogravimetric analyses studies indicate that the aromatic polyamides (with the exception of the pyridine-based polyamide) are more thermally stable than the aliphatic ones. This general, environmentally benign method for the synthesis of polyamides is homogeneously catalyzed under neutral conditions by dearomatized ruthenium-pincer complexes 1 and 2 and proceeds in 1,4-dioxane under an inert atmosphere. Conditions for polyamidation in the absence of solvent are also reported, using the pincer complex 2 as catalyst. {\textcopyright} 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012
}, doi = {10.1002/pola.25943}, author = {Gnanaprakasam, Boopathy and Balaraman, Ekambaram and Gunanathan, Chidambaram and Milstein, David} } @article { ISI:000310931900030, title = {Synthesis of silk fibroin-glycopolypeptide conjugates and their recognition with lectin}, journal = {Biomacromolecules}, volume = {13}, number = {11}, year = {2012}, month = {NOV}, pages = {3695-3702}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Silk fibroin (SF), the natural fibrous protein created by the Bombyx mori silk worm, is being increasingly excellent mechanical strength, high oxygen/water permeability, excellent mechanical strength; high oxygen/water:permeability, and biocompatibility: :It is also well known that surface. modification of SF, With Organic ligands such as the extracellular protein :binding. Arg-Gly-Asp, (RGD) peptides:,: help adhesion and,proliferation. of cells better-a key; requirement for it to function as extracellular. matrices; In this, Work, We have conjugated synthetic glycopolypeptides (GPs) that were synthesized by controlled ring opening polymerization of alpha-manno-lys N-carboxyanhydrides (NCAs) onto SF by using Cu catalyzed click reaction to synthesize 1 a new hybrid :Material (SF GP), Which We believe will have :both the mechanical properties of native SF and the molecular recognition property of the carbohydrates in the GP. By controlling the :amount of GP grafted onto SF, we have made three SF GP conjugates that differ in their ability to assemble into films. SF GP conjugates having a very high content of GP formed completely water soluble brush like polymer that displayed very high affinity toward the lectin concanavalin-A (Con-A) Films cast from SF-GP conjugates using lower amounts of grafted GP were more stable in water, and the stability can be modulated by varying the amount of G grafted. The water insoluble film SF-GP(25) was also found to bind to fluorescently labeled Con A, as was seen by confocal microscopy Such SF-GP hybrid films may be useful as mimics of extracellular matrices for tissue engineering:
}, issn = {1525-7797}, doi = {10.1021/bm301170u}, author = {Das, Soumen and Pati, Debasis and Tiwari, Neha and Nisal, Anuya and Sen Gupta, Sayam} } @article { ISI:000315212500001, title = {Synthesis of substituted 2,6-dicyanoanilines and related compounds. a review}, journal = {Organic Preparations and Procedures International}, volume = {44}, number = {6}, year = {2012}, month = {JAN}, pages = {467-521}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, issn = {0030-4948}, doi = {10.1080/00304948.2012.715055}, author = {Borate, Hanumant B. and Kudale, Ananada S. and Agalave, Sandip G.} } @article { ISI:000306049900037, title = {Synthesis of the aminocyclitol units of (-)-hygromycin a and methoxyhygromycin from myo-inositol}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {13}, year = {2012}, month = {JUL}, pages = {5801-5807}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Concise and efficient syntheses of the aminocyclitol cores of hygromycin A (HMA) and methoxyhygromycin (MHM) have been achieved starting from readily available myo-inositol. Reductive cleavage of myo-inositol orthoformate to the corresponding 1,3-acetal, stereospecific introduction of the amino group via the azide, and resolution of a racemic cyclitol derivative as its diastereomeric mandelate esters are the key steps in the synthesis. Synthesis of the aminocyclitol core of hygromycin A involved chromatography in half of the total number of steps, and the aminocyclitol core of methoxyhygromycin involved only one chromatography.
}, issn = {0022-3263}, doi = {10.1021/jo300444b}, author = {Gurale, Bharat P. and Shashidhar, Mysore S. and Gonnade, Rajesh G.} } @article { ISI:000302902200025, title = {Synthesis, spectroscopy, and electrochemical investigation of new conjugated polymers containing thiophene and 1,3,4-thiadiazole in the main chain}, journal = {Journal of Applied Polymer Science}, volume = {125}, number = {3}, year = {2012}, month = {AUG}, pages = {1882-1889}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {
Novel photoluminescent donoracceptor poly(p-phenylenevinylene)-type conjugated polymers containing thiophene and 1,3,4-thiadiazole units in the main chain were synthesized from 2,5-bis(5-bromomethyl-2-thienyl)-1,3,4-thiadiazole and 1,3/1,4-benzenedialdehyde by WittigHorner reaction. The synthesized polymers were characterized by the use of thermal analysis and spectroscopic (infrared, UV-visible absorption, and photoluminescence) measurement. The resultant material exhibited bluish green, green, and orange fluorescence in their solution and thin film and solid forms, respectively. The redox property of the polymers has also been studied by cyclic voltammetry. The optical and electrochemical studies reveal that these novel polymers are new promising materials for the development of efficient polymer light-emitting diodes. (c) 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
}, keywords = {conjugated polymers, photoluminescence, thiophene and thiadiazole-containing polymer}, issn = {0021-8995}, doi = {10.1002/app.36238}, author = {Patil, Prashant S. and Haram, Nanda S. and Pal, Ravindra R. and Periasamy, N. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000312003800010, title = {Synthetic studies towards NG-121: diastereoselective synthesis of NG-121 methyl ether}, journal = {Synthesis-Stuttgart}, volume = {44}, number = {24}, year = {2012}, month = {DEC}, pages = {3797-3804}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Starting from unsymmetrically O-protected methyl 4-bromo-3,5-dihydroxybenzoate, a facile synthesis of the methyl ether of bioactive natural product NG-121 was accomplished in very good overall yield. The key steps were: Stille coupling reaction of the farnesyl unit with the electron-rich phenolic segment; hydroxy-directed selective epoxidation of the farnesyl chain along with concomitant phenol-driven intramolecular regio- and diastereoselective ring closure to the corresponding hydroxybenzopyran; and regioselective formylation followed by in situ reductive lactonization.
}, keywords = {4-bromo-3, 5-dihydroxybenzoate, formylation, intramolecular cyclization, lactonization, NG-121 methyl ether, Stille coupling}, issn = {0039-7881}, doi = {10.1055/s-0032-1317544}, author = {Singh, Mandeep and N. P. Argade} } @article {42513, title = {Taco complex derived from a bis-crown ether capable of executing molecular logic operation through reversible complexation}, journal = {Journal of Organic Chemistry}, volume = {77}, year = {2012}, month = {JUL}, pages = {6789{\textendash}6800}, abstract = {
As learned from natural systems, self-assembly and self-sorting help in interconnecting different molecular logic gates and thus achieve high-level logic functions. In this context, demonstration of important logic operations using changes in optical responses due to the formation of molecular assemblies is even more desirable for the construction of a molecular computer. Synthesis of an appropriate divalent as well as a luminescent crown ether based host 1 and paraquat derivatives, 2(PF6)2 and 3(PF6)2, as guests helped in demonstrating a reversible [3](taco complex) (1{\textperiodcentered}{2(PF6)2}2 or 1{\textperiodcentered}{3(PF6)2}2) formation in nonpolar solvent. Detailed 1H NMR studies revealed that two paraquat units were bound cooperatively by the two crown units in 1. Because of preorganization, the flexible host molecule 1 adopts a folded conformation, where each of two paraquat units remain sandwiched between the two aromatic units of each folded crown ether moiety in 1. Disassembly of the {\textquotedblleft}taco{\textquotedblright} complex in the presence of KPF6 and reassembly on subsequent addition of DB18C6 was initially demonstrated by 1H NMR spectral studies, which were subsequently corroborated through luminescence spectral studies. Further, luminescence spectral responses as output signals with appropriate and two independent molecular inputs could be correlated to demonstrate basic logic operation like OR and YES gates, while the results of the three molecular inputs could be utilized to demonstrate important logic operation like an INHIBIT gate.
}, doi = {10.1021/jo300622b}, author = {Mandal, Amal Kumar and Das, Priyadip and Mahato, Prasenjit and Acharya, Suhash and Das, Amitava} } @article {43253, title = {TDR Targets: a chemogenomics resource for neglected diseases}, journal = {Nucleic Acids Research}, volume = {40}, year = {2012}, month = {JAN}, pages = {D1118-D1127}, abstract = {The TDR Targets Database (http://tdrtargets.org) has been designed and developed as an online resource to facilitate the rapid identification and prioritization of molecular targets for drug development, focusing on pathogens responsible for neglected human diseases. The database integrates pathogen specific genomic information with functional data (e.g. expression, phylogeny, essentiality) for genes collected from various sources, including literature curation. This information can be browsed and queried using an extensive web interface with functionalities for combining, saving, exporting and sharing the query results. Target genes can be ranked and prioritized using numerical weights assigned to the criteria used for querying. In this report we describe recent updates to the TDR Targets database, including the addition of new genomes (specifically helminths), and integration of chemical structure, property and bioactivity information for biological ligands, drugs and inhibitors and cheminformatic tools for querying and visualizing these chemical data. These changes greatly facilitate exploration of linkages (both known and predicted) between genes and small molecules, yielding insight into whether particular proteins may be druggable, effectively allowing the navigation of chemical space in a genomics context.}, doi = {10.1093/nar/gkr1053}, author = {Magarinos, Maria P. and Carmona, Santiago J. and Crowther, Gregory J. and Ralph, Stuart A. and Roos, David S. and Shanmugam, Dhanasekaran and Van Voorhis, Wesley C.} } @article { ISI:000312519900003, title = {Temperature-dependent spectroscopic evidences of curcumin in aqueous medium: a mechanistic study of its solubility and stability}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {50}, year = {2012}, month = {DEC}, pages = {14533-14540}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In curcumin, keto-enol-enolate equilibrium of the heptadiene-dione moiety determines its physiochemical and antioxidant properties. However, its poor solubility in water at neutral pH and room temperature decreases its bioavailability. Potential therapeutic applications have triggered an interest in manipulating the solubility of curcumin in water as its stability and solubility in water remains poorly understood. Here, the mechanism behind its solubility at various temperatures and the influence of interplay of temperature, intramolecular H-bonding, and intermolecular forces is reported, which leads to aggregation-disaggregation at various temperatures. Remarkable change is observed in temperature-dependent electronic transition behavior of curcumin, however, the absorption spectra after cooling and heating cycles remain unchanged, hinting much better thermal stability of curcumin in water than previously thought. This study indicates that it is perhaps the breaking of intramolecular hydrogen bonding which leads to exposure of polar groups and hence responsible for the dissolution of curcumin at higher temperature. The formation of intermolecular aggregates might be responsible behind a better room temperature stability of the molecules after cooling its aqueous suspension from 90 to 25 degrees C. These curcumin solubility studies have great application in biological research with reference to bioavailability and to understand target oriented mode of action of curcumin.
}, issn = {1520-6106}, doi = {10.1021/jp3050516}, author = {Jagannathan, Ramya and Abraham, Priya Mary and Poddar, Pankaj} } @article { ISI:000310567800027, title = {Theoretical study of frequency and temperature dependence of dipole-quadrupole polarizability of P-4 and adamantane}, journal = {Chemical Physics Letters}, volume = {552}, year = {2012}, month = {NOV}, pages = {146-150}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The frequency and temperature dependence of dipole-quadrupole polarizability of tetrahedral P-4 and adamantane molecules have been studied using first-principle all-electron density functional theory calculation. The recently developed time-dependent auxiliary density functional theory is extended for the calculation of dynamic dipole-quadrupole polarizabilities. Temperature effects are incorporated by Born-Oppenheimer molecular dynamics (BOMD) simulations recorded up to 100 ps. The dynamic dipole-quadrupole polarizabilities are calculated along these trajectories. The frequency and temperature effects can be significant for the accurate calculation of dipole-quadrupole polarizability. We have also identified the main reason for the observed discrepancy between experiment and theory in the case of adamantane. (c) 2012 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2012.09.045}, author = {Shedge, Sapana V. and Pal, Sourav and Koester, Andreas M.} } @article { ISI:000298712000050, title = {Theoretical study of metal-metal cooperativity in the homogeneous water gas shift reaction}, journal = {Inorganic Chemistry}, volume = {51}, number = {1}, year = {2012}, month = {JAN}, pages = {377-385}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The possibility of metal-metal cooperativity in improving the yield of the homogeneous water gas shift reaction (WGSR) has been investigated through full quantum mechanical density functional theory calculations. The calculations indicate that bimetallic catalysts would be likely to be more highly active than mononuclear metal-based catalysts for the WGSR. The results have implications for the design of improved WGSR catalysts in the future.
}, issn = {0020-1669}, doi = {10.1021/ic201788t}, author = {Kuriakose, Nishamol and Kadam, Shantanu and Vanka, Kumar} } @article { ISI:000308976200010, title = {Thermal expansion properties of stannosilicate molecular sieve with MFI type structure}, journal = {Chemical Physics Letters}, volume = {548}, year = {2012}, month = {OCT}, pages = {51-54}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
An in situ high temperature X-ray diffraction study was carried out for investigating the thermal expansion properties of Si-MFI and SnSi-MFI molecular sieves. The thermal stability up to 973 K and a negative lattice thermal expansion in anisotropic manner was exhibited by both the phases in the temperature range of 373-973 K. The trend observed in contraction along the axes was as: a \> c \> b. The substitution of Sn4+ in MFI framework resulted in an expansion of unit cell volume and in an increase in the lattice thermal expansion coefficient in the temperature range 423-973 K. (C) 2012 Elsevier B. V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2012.08.023}, author = {Niphadkar, P. S. and Bhange, Deu S. and Selvaraj, K. and Joshi, P. N.} } @article { ISI:000307387100024, title = {Thermal, mechanical, and rheological characterization of polypropylene/layered double hydroxide nanocomposites}, journal = {Polymer Engineering and Science}, volume = {52}, number = {9}, year = {2012}, month = {SEP}, pages = {2006-2014}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Polypropylene (PP)/organomodified layered double hydroxide (LDH) nanocomposites were prepared in order to examine the influence of LDH content on thermal, mechanical, and rheological properties. The nanostructure examinations by X-ray diffraction (XRD) and transmission electron microscopy (TEM) confirmed the exfoliated/intercalated dispersion of LDH. Incorporation of the LDH resulted in a noteworthy improvement in the thermal stability of PP. It was shown that the addition of LDH contributed to the reinforcement effect by increasing the elastic modulus. The mechanical performance, as evaluated by stressstrain curves, reveal that PP/LDH hybrid materials showed significant contribution toward increment in elastic modulus, tensile strength but at the expense of impact strength. The rheological response showed a strong influence of LDH particles on the flow behavior of the PP/LDH melt which resulted in enhancement of storage, loss of moduli, and complex viscosity of nanocomposites. Therefore, the nanocomposites have higher moduli but better processibility compared with pure PP. Overall, the results indicated that the LDH particles in nanometer size might act as potential reinforcing agent for polypropylene. POLYM. ENG. SCI., 52:20062014, 2012. (c) 2012 Society of Plastics Engineers
}, issn = {0032-3888}, doi = {10.1002/pen.23147}, author = {Lonkar, Sunil P. and Therias, Sandrine and Leroux, Fabrice and Gardette, Jean Luc and Singh, Raj Pal} } @article { ISI:000313024300028, title = {Thermally decomposed Cu-Fe-hydrotalcite. a novel highly active catalyst for o-arylation of naphthol and phenols by aryl halides}, journal = {Catalysis Communications}, volume = {29}, year = {2012}, month = {DEC}, pages = {132-136}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A novel, efficient and environmentally benign method has been reported for the synthesis of diaryl ethers by the o-arylation of napthol or phenols with aryl halides in dimethylformamide (as a solvent) under reflux, using a novel heterogeneous catalyst (having redox properties), obtained from thermal decomposition of Cu-Fe at 600 degrees C in the absence of externally added base. The catalyst comprises Cu(II) and Fe(III) species (oxides and hydroxides), which are uniformly distributed during the catalyst formation. The catalyst can be easily separated from the reaction mixture, simply by filtration and reused several times without a significant loss of its activity. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Aryl halides, C-O cross coupling reaction, Cu-Fe-hydrotalcite, Naphthol, o-Arylation, Phenols}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.09.024}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Yadav, P. N. and Bhargava, Suresh Kumar} } @article { ISI:000303304900028, title = {TiO2-Au plasmonic nanocomposite for enhanced dye-sensitized solar cell (DSSC) performance}, journal = {Solar Energy}, volume = {86}, number = {5}, year = {2012}, month = {MAY}, pages = {1428-1434}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Anatase TiO2 nanoparticles dressed with gold nanoparticles were synthesized by hydrothermal process by using mixed precursor and controlled conditions. Diffused Reflectance Spectra (DRS) reveal that in addition to the expected TiO2 interband absorption below 360 nm gold surface plasmon feature occurs near 564 nm. It is shown that the dye sensitized solar cells made using TiO2-Au plasmonic nanocomposite yield superior performance with conversion efficiency (CE) of similar to 6\% (no light harvesting), current density (J(SC)) of similar to 13.2 mA/cm(2), open circuit voltage (V-oc) of similar to 0.74 V and fill factor (FF) 0.61; considerably better than that with only TiO2 nanoparticles (CE similar to 5\%, J(SC) similar to 12.6 mA/cm(2), V-oc similar to 0.70 V, FF similar to 0.56). (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Anatase TiO2, Au, Dye-sensitized solar cells, Hybrid composite, hydrothermal}, issn = {0038-092X}, doi = {10.1016/j.solener.2012.02.002}, author = {Muduli, Subas and Game, Onkar S. and Dhas, Vivek V. and Vijayamohanan, K. and Bogle, Kashinath A. and Valanoor, N. and Ogale, Satishchandra B.} } @article { ISI:000303158300021, title = {Topochemical click reaction: spontaneous self-stitching of a monosaccharide to linear oligomers through lattice-controlled azide-alkyne cycloaddition}, journal = {Angewandte Chemie-International Edition}, volume = {51}, number = {18}, year = {2012}, month = {APR}, pages = {4362-4366}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {Click chemistry, green chemistry, polymerization, pseudosugars, topochemistry}, issn = {1433-7851}, doi = {10.1002/anie.201201023}, author = {Pathigoolla, Atchutarao and Gonnade, Rajesh G. and Sureshan, Kana M.} } @article {42809, title = {Total synthesis and structural revision of stagonolide D}, journal = {Journal of Organic Chemistry}, volume = {77}, year = {2012}, month = {FEB}, pages = {2169{\textendash}2175}, abstract = {
The total synthesis of the putative structure of stagonolide D has been completed. The relative and absolute configuration of stagonolide D was established by synthesizing its optical antipode. The adopted strategy involves the construction of the central macrolide employing ring-closing metathesis (RCM), followed by selective protecting group manipulations and a final concomitant -OTBS deprotection and displacement of an -OMs placed next to it, resulting in the formation of the epoxide ring.
}, doi = {10.1021/jo202138g}, author = {Vadhadiya, Paresh M. and Puranik, Vedavati G. and Ramana, Chepuri V.} } @article { ISI:000311926100005, title = {Total synthesis of (-)-isatisine A}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {23}, year = {2012}, month = {DEC}, pages = {10509-10515}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A modular total synthesis of (-)-isatisine A is described in which four consecutive metal-mediated transformations have been employed at the final stage. These include [Pd]-catalyzed Sonogashira coupling, [Pd]-catalyzed nitroalkyne cycloisomerization leading to isatogens, and addition of indoles to isatogens using InCl3- and [Rh]-catalyzed oxidative N-heterocyclization of amino alcohol to form the key amide bond. In addition to these, the removal of the protecting groups has also been carried out in a selective fashion employing either catalytic or stoichiometric metal/metal-based reagents.
}, issn = {0022-3263}, doi = {10.1021/jo302198v}, author = {Patel, Pitambar and Ramana, C. V.} } @article {42808, title = {Total synthesis of ({\textendash})-sacidumlignans B and D}, journal = {Journal of Organic Chemistry}, volume = {77}, year = {2012}, month = {JAN}, pages = {1566{\textendash}1571}, abstract = {
The first total synthesis of naturally occurring sacidumlignans A (1), B (2), and D (4) was executed and the absolute configuration of 2 and 4 was determined. A diastereoselective α- methylation of a lactone was used as the key step for the control of the chiral centers of the central lignan core. An acid mediated dehydrative cyclization of an aldehyde to construct the dihydronaphthalene unit of 2 and the aromatization of the intermediate dihydronaphthalene derivative to synthesize 1 are the key reactions employed in this regard.
}, doi = {10.1021/jo2021696}, author = {Rout, Jeetendra Kumar and Ramana, Chepuri V.} } @article { ISI:000299584400070, title = {Toward a quantitative correlation between microstructure and DSSC efficiency: a case study of TiO2-xNx nanoparticles in a disordered mesoporous framework}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {3, SI}, year = {2012}, month = {JAN}, pages = {2581-2587}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The efficiency (eta) of a dye-sensitized solar cell (DSSC) depends on various parameters, the critical factors being a fast charge carrier transport and a slow rate of electron-hole recombination. The present article describes a simple combustion synthesis method to prepare TiO2-xNx with following four important features that directly influences eta: (1) a disordered mesoporous structural framework with high surface area to give high dye-loading and a small diffusion length for charge carriers allowing rapid movement to the surface; (2) electrically interconnected nanocrystalline TiO2-xNx particles with good necking and predominant (101) anatase facets to minimize electron-hole recombination; (3) low charge storage capacity in the titania framework; and (4) surface unsaturation assisting all the above factors. The pseudo-three-dimensional nature of mesoporous TiO2-xNx with the above features demonstrates the importance of textural features, and porosity allows faster diffusion of charge carriers to surface and their utilization to generate power. A quantitative correlation between interconnected nanoparticles over larger distances in a mesoporous framework and eta is demonstrated. This study also demonstrates an inexpensive and rapid method of producing the photoanode material with high eta in about 10 min.
}, issn = {1932-7447}, doi = {10.1021/jp210677d}, author = {Sivaranjani, Kumarsrinivasan and Agarkar, Shruti A. and Ogale, Satishchandra B. and Gopinath, Chinnakonda S.} } @article {43236, title = {Toward understanding the redox properties of model chromophores from the greenfluorescent protein family: an interplay between conjugation, resonance stabilization, and solvent effects}, journal = {Journal of Physical Chemistry B}, volume = {116}, year = {2012}, month = {OCT}, pages = {12398-12405}, abstract = {The redox properties of model chromophores from the green fluorescent protein family are characterized computationally using density functional theory with a long-range corrected functional, the equation-of-motion coupled-cluster method, and implicit solvation models. The analysis of electron-donating abilities of the chromophores reveals an intricate interplay between the size of the chromophore, conjugation, resonance stabilization, presence of heteroatoms, and solvent effects. Our best estimates of the gas-phase vertical/adiabatic detachment energies of the deprotonated (i.e., anionic) model red, green, and blue chromophores are 3.27/3.15, 2.79/2.67, and 2.75/2.35 eV, respectively. Vertical/adiabatic ionization energies of the respective protonated (i.e., neutral) species are 7.64/7.35, 7.38/7.15, and 7.70/7.32 eV, respectively. The standard reduction potentials (E-red(0)) of the anionic (Chr(center dot)/Chr(-)) and neutral (Chr(+center dot)/Chr) model chromophores in acetonitrile are 0.34/1.40 V (red), 0.22/1.24 V (green), and -0.12/1.02 V (blue), suggesting, counterintuitively, that the red chromophore is more difficult to oxidize than the green and blue ones (in both neutral and deprotonated forms). The respective redox potentials in water follow a similar trend but are more positive than the acetonitrile values.}, doi = {10.1021/jp305022t}, author = {Ghosh, Debashree and Acharya, Atanu and Tiwari, Subodh C. and Krylov, Anna I.} } @article { ISI:000300041700017, title = {Towards biodegradable elastomers: green synthesis of carbohydrate functionalized styrene-butadiene-styrene copolymer by click chemistry}, journal = {Green Chemistry}, volume = {14}, number = {2}, year = {2012}, month = {DEC}, pages = {348-356}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Random attachment of sugar molecules to synthetic polymers is an important strategy to induce biodegradability in these polymers. The present study successfully employs {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry to introduce low levels of sugar molecules onto styrene-butadiene-styrene (SBS) copolymer, a widely used commodity polymer which is not biodegradable. Spectral, morphological and thermal studies of the modified polymers were carried out to show the dramatic changes in the properties of these modified polymers. Thermal stability of glucose linked SBS had onset of degradation at 428 degrees C, down from 478 degrees C observed for SBS. Morphology studied by WAXRD and SEM showed destructuring of the polymer domains of SBS, which is beneficial for biodegradation of these polymers. Previous studies showed that sugars anchored by hydrolysable ester groups onto polystyrene were biodegradable; current studies show that sugars anchored by unhydrolyzable C-C bonds on the butadiene component of SBS copolymer are also significantly biodegradable.
}, issn = {1463-9262}, doi = {10.1039/c1gc16146f}, author = {Singh, Rakesh and Varma, Anjanikumar} } @article { ISI:000307308000020, title = {Transesterification of diethyl oxalate with phenol over sol-gel MoO3/TiO2 catalysts}, journal = {Chemsuschem}, volume = {5}, number = {8}, year = {2012}, month = {JUL}, pages = {1467-1473}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The transesterification of diethyl oxalate (DEO) with phenol to form diphenyl oxalate (DPO) has been carried out in the liquid phase over very efficient MoO3/TiO2 solid-acid solgel catalysts. A selectivity of 100?\% with a remarkable maximum yield of 88?\% were obtained, which opens the route to downstream phosgene-free processes for the synthesis of polycarbonates. Interpretation of the results of various acidity measurements (NH3 and pyridine desorption, methanol oxidation as a probe reaction) allowed us to identify the catalytic sites as Lewis acid sites.
}, keywords = {heterogeneous catalysis, Lewis acids, Oxidation, sol-gel processes, transesterification}, issn = {1864-5631}, doi = {10.1002/cssc.201100802}, author = {Kotbagi, Trupti and Duy Luan Nguyen and Lancelot, Christine and Lamonier, Carole and Thavornprasert, Kaew-Arpha and Zhu Wenli and Capron, Mickael and Jalowiecki-Duhamel, Louise and Shubhangi B. Umbarkar and Dongare, Mohan K. and Dumeignil, Franck} } @article { ISI:000305379000012, title = {Transformation of (+/-)-lavandulol and (+/-)-tetrahydrolavandulol by a fungal strain Rhizopus oryzae}, journal = {Bioresource Technology}, volume = {115}, year = {2012}, month = {JUL}, pages = {70-74}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Biotransformation of an irregular monoterpene alcohol, (+/-)-lavandulol [(+/-)-5-methyl-2-(1-methylethenyl)-4-hexen-1-ol] (I) and its tetrahydro derivative, (+/-)-tetrahydrolavandulol [(+/-)-2-isopropyl-5-methylhexan-1-ol] (II) were studied using a soil isolated fungal strain Rhizopus oryzae. Five metabolites, 2-((3,3-dimethyloxiran-2-yl)methyl)-3-methylbut-3-en-1-ol (Ia), 2-methyl-5-(prop-1-en-2-yl)hex-2ene-1,6-diol (Ib), 2-methyl-5-(prop-1-en-2-yl)hexane-1,6-diol (Ic), 2-(3-methylbut-2-enyl)-3-methylenebutane-1,4-diol (Id), 5-methyl-2-(2-methyloxiran-2-yl)hex-4-en-1-01 (Ie) have been isolated from the fermentation medium and characterized with lavandulol as a substrate. When tetrahydrolavandulol used as a substrate, two metabolites 2-isopropyl-5-methylhexane-1,5-diol (IIa) and 2-isopentyl-3-methylbutane-1,3-diol (lib) have been isolated from the fermentation medium. Biotransformation studies with R. oryzae clearly indicate that the organism initiates the transformation either by hydroxylation at allylic methyl groups or epoxidation of double bond. GC and GCMS analyses indicated that both (R)and (S)-enantiomers of I and II have been transformed into corresponding hydroxylated or epoxy derivatives, when racemic I and II were used as substrates. (C) 2011 Elsevier Ltd. All rights reserved.
}, keywords = {Biotransformation, Fungus, Lavandulol, Rhizopus oryzae, Tetrahydrolavandulol}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.11.038}, author = {Daramwar, Pankaj P. and Rincy, Raju and Niloferjahan, Siddiqui and Krithika, Ramakrishnan and Gulati, Arvind and Yadav, Amit and Sharma, Rakesh and Thulasiram, Hirekodathakallu V.} } @article { ISI:000300911400014, title = {Transport of inorganic acids through polybenzimidazole (PBI) based membranes by chemo-dialysis}, journal = {Desalination and Water Treatment}, volume = {38}, number = {1-3}, year = {2012}, month = {JAN}, pages = {96-103}, publisher = {DESALINATION PUBL}, address = {36 WALCOTT VALLEY DRIVE,, HOPKINTON, MA 01748 USA}, abstract = {
A process of chemo-dialysis involving poly(benzimidazole) (PBI) as a chemically active membrane material is proposed for the transport of inorganic acids. These membranes possessing basic nature selectively bind acid molecules present in the feed solution due to acid-base interactions. They are transported across the membrane by concentration gradient as the driving force. The transported acid molecules are stripped away from other side of the membrane surface by a suitable stripping agent or water. Effects of nature of feed acid (pK(a), molecular size), its concentration in the feed solution and the nature of stripping agent (base or water) on acid transport properties are presented. Membranes showed appreciable transport rates for three acids, viz., H2SO4, HCl and HNO3. The fluxes for different acids varied from 16.1 to 140.7 g/m(2) h under different operating conditions. Most significantly, there was no transport of non-acidic solutes such as NaCl or glucose. This could be made possible since these solutes neither get sorbed in the membrane matrix, nor does the membrane exhibit any porosity for the transport to occur through pores. This resulted in practically infinite selectivity of transported acid over the non-acidic solutes. Use of water as the stripping agent allows recycling of the acid, making the process economically attractive. Moreover, possible recovery of acid and its reuse eliminated the requirement of acid neutralization and disposal; which is a routine practice followed today. Thus, this process of chemo-dialysis is economically attractive and environmentally benign.
}, keywords = {Acid transport, Chemical interaction, Chemo-dialysis, Inorganic acids, Membrane, Polybenzimidazole}, issn = {1944-3994}, doi = {10.5004/dwt.2012.2318}, author = {Chendake, Yogesh J. and Kharul, Ulhas K.} } @article { ISI:000302335800008, title = {Trehalose as an indicator of desiccation stress in Drosophila melanogaster larvae: a potential marker of anhydrobiosis}, journal = {Biochemical and Biophysical Research Communications}, volume = {419}, number = {4}, year = {2012}, month = {MAR}, pages = {638-642}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
In the current scenario of global climate change, desiccation is considered as one of the major environmental stressors for the biota exposed to altered levels of ambient temperature and humidity. Drosophila melanogaster, a cosmopolitan terrestrial insect has been chosen as a humidity-sensitive bioindicator model for the present study since its habitat undergoes frequent stochastic and/or seasonally aggravated dehydration regimes. We report here for the first time the occurrence of anhydrobiosis in D. melanogaster larvae by subjecting them to desiccation stress under laboratory conditions. Larvae desiccated for ten hours at \<5\% relative humidity could enter anhydrobiosis and could revive upon rehydration followed by resumption of active metabolism. As revealed by FIR and HPLC analyzes, our findings strongly indicated the synthesis and accumulation of trehalose in the desiccating larvae. Biochemical measurements pointed out the desiccation-responsive trehalose metabolic pathway that was found to be coordinated in concert with the enzymes trehalose 6-phosphate synthase and trehalase. Further, an inhibitor-based experimental approach using deoxynojirimycin, a specific trehalase inhibitor, demonstrated the pivotal role of trehalose in larval anhydrobiosis of D. melanogaster. We therefore propose trehalose as a potential marker for the assessment of anhydrobiosis in Drosophila. The present findings thus add to the growing list of novel biochemical markers in specific bioindicator organisms for fulfilling the urgent need of environmental biomonitoring of climate change. (C) 2012 Elsevier Inc. All rights reserved.
}, keywords = {Anhydrobiosis, biomarker, Deoxynojirimycin, Desiccation, Drosophila melanogaster, trehalose}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2012.02.065}, author = {Thorat, Leena J. and Gaikwad, Sushama M. and Nath, Bimalendu B.} } @article { ISI:000305168600039, title = {Trehalose as an indicator of desiccation stress in Drosophila melanogaster larvae: a potential marker of anhydrobiosis (vol 419, pg 638, 2012)}, journal = {Biochemical and Biophysical Research Communications}, volume = {421}, number = {4}, year = {2012}, month = {MAY}, pages = {860}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2012.04.140}, author = {Thorat, Leena J. and Gaikwad, Sushama M. and Nath, Bimalendu B.} } @article { ISI:000305204500004, title = {Trends in bioconversion of lignocellulose: biofuels, platform chemicals \& biorefinery concept}, journal = {Progress in Energy and Combustion Science}, volume = {38}, number = {4}, year = {2012}, month = {AUG}, pages = {522-550}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Bioconversion of renewable lignocellulosic biomass to biofuel and value added products are globally gaining significant prominence. Market forces demonstrate a drive towards products benign to natural environment increasing the importance of renewable materials. The development of second generation bioethanol from lignocellulosic biomass serves many advantages from both energy and environmental point of views. Biomass an inexpensive feedstock considered sustainable and renewable, is an option with the potential to replace a wide diversity of fossil based products within the energy sector; heat, power, fuels, materials and chemicals. Lignocellulose is a major structural component of woody and non-woody plants and consists of cellulose, hemicellulose and lignin. The effective utilization of all the three components would play a significant role in the economic viability of cellulosic ethanol. Biomass conversion process involves five major steps, choice of suitable biomass, effective pretreatment, production of saccharolytic enzymes-cellulases and hemicellulases, fermentation of hexoses and pentoses and downstream processing. Within the context of production of fuels from biomass, pretreatment has come to denote processes by which cellulosic biomass is made amenable to the action of hydrolytic enzymes. The limited effectiveness of current enzymatic process on lignocellulose is thought to be due to the relative difficulties in pretreating the feedstocks. The present review is a comprehensive state of the art describing the advancement in recent pretreaments, metabolic engineering approaches with special emphasis on the latest developments in consolidated biomass processing, current global scenario of bioethanol pilot plants and biorefinery concept for the production of biofuels and bioproducts. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Consolidated biomass processing, Lifecycle assessment, Lignocellulose, Pre-treatment, Saccharifying enzymes, Value-added products}, issn = {0360-1285}, doi = {10.1016/j.pecs.2012.02.002}, author = {Menon, Vishnu and Rao, Mala} } @article {43386, title = {Trends towards zero discharge of distillery effluents}, number = {18}, year = {2012}, month = {SEP}, pages = {211 - 215}, type = {Special Report}, abstract = {In the present paper we have described briefly a customer friendly process for the treatment of distillery effluent to obtain colourless water.In order to bring about improvement of cost factor, our developmental efforts towards cheaper and efficient adsorbents have been elucidated. Further improvement of its cost factor could be achieved by enhancing the colour removal ability of the adsorbent (activecharcoal) with small quantities of oxidizing agents (in ppm level). Recent developments towards obtaining valueadded products from spent wash using various methodologies and techniques have been reviewed with a view to encourage technocrats and entrepreneurs to take lead in this challenging and economically attractive endeavor}, author = {Gokarn, A. N. and Pande, Anita R. and Mayadevi, S.} } @article { ISI:000299158700036, title = {Tuberculosis drug streptomycin as a potential cancer therapeutic: inhibition of miR-21 function by directly targeting its precursor}, journal = {Angewandte Chemie-International Edition}, volume = {51}, number = {4}, year = {2012}, month = {DEC}, pages = {1019-1023}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, keywords = {Apoptosis, drug discovery, Gene expression, inhibitors, RNA}, issn = {1433-7851}, doi = {10.1002/anie.201106455}, author = {Bose, Debojit and Jayaraj, Gopal Gunanathan and Suryawanshi, Hemant and Agarwala, Prachi and Pore, Subrata Kumar and Banerjee, Rajkumar and Maiti, Souvik} } @article { ISI:000299212700017, title = {Tuning spectral properties of phenothiazine based donor-pi-acceptor dyes for efficient dye-sensitized solar cells}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {3}, year = {2012}, month = {NOV}, pages = {889-894}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Two novel metal-free organic donor-pi-acceptor dyes were synthesized using electron-rich 10-butyl-(2-methylthio)-10H-phenothiazine as a donor and cyanoacrylic acid as an acceptor. The spectral response of the dye was tuned by introducing a vinylene thiophene pi-bridge. Obtained optical and electrochemical properties of the dyes seemed to be promising in terms of employing them as light harvesters in dye-sensitized solar cells (DSCs). The efficiencies of the devices under standard AM 1.5G (100 mW cm(-2)) conditions reached 7.3\% with volatile electrolyte. The differences in the photovoltaic parameters of these DSCs were explained by comparing the results of electrochemical impedance spectroscopy (EIS) measurements and transient photovoltage and photocurrent decay experiments.
}, issn = {0959-9428}, doi = {10.1039/c1jm14024h}, author = {Marszalek, Magdalena and Nagane, Satyawan and Ichake, Amol and Humphry-Baker, Robin and Paul, Vincent and Zakeeruddin, Shaik M. and Graetzel, Michael} } @article { ISI:000308778000025, title = {Tuning the functionality of a carbon nanofiber-Pt-RuO2 system from charge storage to electrocatalysis}, journal = {Inorganic Chemistry}, volume = {51}, number = {18}, year = {2012}, month = {SEP}, pages = {9766-9774}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Chemical-functionalization-induced switching in the property of a hybrid system composed of a hollow carbon nanofiber (CNF) and Pt and RuO2 nanoparticles from charge storage to electrocatalysis is presented. The results of this study show how important it is to have a clear understanding of the nature of surface functionalities in the processes involving dispersion of more than one component on various substrates including carbon nanomorphologies. When pristine CNF is used to decorate Pt and RuO2 nanoparticles, random dispersion occurs on the CNF surface (C-PtRuO2). This results in mainly phase-separated nanoparticles rich in RuO2 characteristics. In contrast to this, upon moving from the pristine CNF to those activated by a simple H2O2 treatment to create oxygen-containing surface functional groups, a material rich in Pt features on the surface is obtained (F-PtRuO2). This is achieved because of the preferential adsorption of RuO2 by the functionalized surface of CNF. A better affinity of the oxygen-containing functional groups on CNF toward RuO2 mobilizes relatively faster adsorption of this moiety, leading to a well-controlled segregation of Pt nanoparticles toward the surface. Further reorganization of Pt nanoparticles leads to the formation of a Pt nanosheet structure on the surface. The electrochemical properties of these materials are initially evaluated using cyclic voltammetric analysis. The cyclic voltammetric results indicate that C-PtRuO2 shows a charge storage property, a typical characteristic of hydrous RuO2, whereas F-PtRuO2 shows an oxygen reduction property, which is the characteristic feature of Pt. This clear switch in the behavior from charge storage to electrocatalysis is further confirmed by galvanostatic charge discharge and rotating-disk-electrode studies.
}, issn = {0020-1669}, doi = {10.1021/ic301147s}, author = {Balan, Beena K. and Kurungot, Sreekumar} } @article { ISI:000302336700011, title = {Tuning the performance of low-Pt polymer electrolyte membrane fuel cell electrodes derived from Fe2O3@Pt/C core-shell catalyst prepared by an in situ anchoring strategy}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {13}, year = {2012}, month = {APR}, pages = {7318-7326}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A low-Pt electrode with high performance and durability characteristic has been realized for polymer electrolyte membrane fuel cell applications from a carbon-supported Fe2O3@Pt core-shell catalyst prepared by a process involving in situ surface modification-cum-anchoring strategy. The process is based on an in-house-developed methodology for generating and interlocking the core-shell nanoparticles on the surface of the carbon substrate, which undergoes functionalization in the reaction medium itself by the intervention of the reducing agent employed in the reaction. Ascorbic acid, which was used as the reducing agent in the process, played a crucial role by making use of its multifunctional activities as reducing agent, stabilizing agent, as well as capping agent in addition to its efficiency in functionalizing the carbon surface during the course of the reaction. The formation of core-shell nanostructures could be confirmed by XRD, HR-TEM, and cyclic voltammetric analysis. The oxygen reduction property and the performance during the single cell evaluations were found to be strongly influenced by the thickness of the catalyst layer owing to the ohmic contribution from the higher mass fraction of the less conductive Fe2O3 core. However, when the thickness of the catalyst layer was kept within the threshold level, Fe2O3@Pt catalyst clearly outperforms the commercial Pt/C catalyst. This benefit of the core-shell catalyst enabled it to display a maximum power density of 900 mW/cm(2) with a significantly low cathode Pt loading of 0.05 mg/cm(2). An accelerated durability assessment of the membrane electrode assembly for 10 h gave consistent performance characteristics. The study gave convincing evidence on the feasibility of using the electrodes derived from the core-shell catalyst prepared by the in situ anchoring strategy for developing cost competitive systems and miniature cells for niche applications.
}, issn = {1932-7447}, doi = {10.1021/jp300628j}, author = {Dhavale, Vishal M. and Kurungot, Sreekumar} } @article {42589, title = {Twin liquid crystals and segmented thermotropic polyesters containing azobenzene?effect of spacer length on LC properties}, journal = {Journal of Polymer Science Part A: Polymer Chemistry}, volume = {50}, year = {2012}, month = {JUL}, pages = {2770{\textendash}2785}, abstract = {
We report systematic studies on a homologous series of twin liquid crystalline (LC) molecules based on phenyl and naphthyl azobenzene (PnP and NpnNp) as well as segmented copolyesters based on them. The twin series had the structure azobenzene{\textendash}oligooxyethylene{\textendash}azobenzene, where the ethyleneoxy length was varied from 2 to 6 units. The LC properties of the twin series depended on the chemical structure of the azochromophore and also the length of the central oligooxyethylene segment. The PnP series exhibited smectic LC properties for n \> three oligooxyethylene units. Conversely, NpnNp series exhibited spherulitic phases only for the shortest member {\textendash}Np2Np. One non-LC short spacer twin (P2P) and one LC long spacer twin (P6P) were incorporated as part of a main chain polyester composed of fully aliphatic segments of sebacate and di or tetraethylene glycol (DEG/TEG) units by melt polycondensation. Non-LC P2P formed LC polymers even at low (5 mol \%) incorporation in DEG-based copolymers, whereas the LC-P6P could do so only at 30 mol \% incorporation. The LC properties of the twin molecules as well as copolymers were studied using differential scanning calorimetry, polarized light microscopy (PLM) along with variable temperature wide angle X-ray diffraction. {\textcopyright} 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012
}, doi = {10.1002/pola.26062}, author = {Nardele, Chinmay G. and Asha, S. K.} } @article { ISI:000304913100024, title = {Ultra-low level optical detection of mercuric ions using biogenic gold nanotriangles}, journal = {Analyst}, volume = {137}, number = {13}, year = {2012}, month = {APR}, pages = {3083-3090}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Mercury is a serious environmental pollutant known to have detrimental health effects in all life forms. Here, we report the use of biologically synthesized aqueous gold nanotriangles for sensitive and selective optical detection of femto-molar levels of mercury ions by exploiting the high amalgamation tendency of mercury metal towards gold. Aqueous chloroaurate ions were reduced using lemongrass (Cymbopogon flexuosus) leaf extract at room temperature to form gold nanotriangles. Mercuric (Hg2+) ions were reduced in the presence of these triangles to facilitate amalgamation and the optical properties were monitored. We observe a significant change in the longitudinal plasmon absorption band of the nanotriangles even at femto-molar concentrations of mercuric ions. High-resolution transmission electron microscopy confirms changes in particle morphology at such low concentrations. This protocol shows no sensitivity to other environmentally relevant metal ions, including Pb2+, Zn2+, Cd2+, Fe2+, Ni2+, Sr2+, Ca2+, Mn2+, and Cu2+, confirming further that change in the optical properties of gold nanotriangles in the presence of reduced mercuric ions is solely due to the strong amalgamation tendency of mercury metal.
}, issn = {0003-2654}, doi = {10.1039/c2an35162e}, author = {Singh, Amit and Pasrichax, Renu and Sastry, Murali} } @article { ISI:000299584800014, title = {Ultrasmall gold cluster arrays encapsulated in silica nanospheres: applications in fluorescence imaging and catalysis}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {2}, year = {2012}, month = {JAN}, pages = {1748-1754}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Facile synthesis of ultrasmall gold nanoclusters of size \<2 nm dispersible in water using a novel quaternary ammonium ligand is reported. Further, arrays of these nanoclusters are encapsulated in monodisperse silica nanospheres of size 25-30 nm. The photophysical characteristics of the clusters are found to be intact upon encapsulation, rendering the resulting composite material ideal for fluorescence imaging applications. We have further shown the utilization of these materials in catalysis as precursors for Au nanopartides encapsulated in porous silica.
}, issn = {1932-7447}, doi = {10.1021/jp2093737}, author = {Samanta, Anupam and Dhar, Basab B. and Devi, R. Nandini} } @article { ISI:000295772200014, title = {Ultrasound assisted one pot synthesis of imidazole derivatives using diethyl bromophosphate as an oxidant}, journal = {Ultrasonics Sonochemistry}, volume = {19}, number = {1}, year = {2012}, month = {JAN}, pages = {94-96}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A one pot, three-component condensation of benzoin/benzyl, an aldehyde, and ammonium acetate using diethyl bromophosphate as a mild oxidant is achieved to form trisubstituted imidazole compounds. Under ultrasound irradiation, a smooth condensation occurs to get the 2, 4, 5-triaryl-1H-imidazole compounds in good to excellent yields. The study explores the scope and limitation of diethyl bromophosphate as an oxidant and suggests advantages, viz., simplicity of operation, reduction in time, and an increase in product yields. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Diethyl bromophosphate (DEP), Imidazole, One pot synthesis, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2011.05.009}, author = {Nagargoje, Deepak and Mandhane, Priyanka and Shingote, Savita and Badadhe, Pravin and Gill, Charansingh H.} } @article { ISI:000300466900006, title = {Understanding the growth of micro and nano-crystalline AlN by thermal plasma process}, journal = {Journal of Crystal Growth}, volume = {339}, number = {1}, year = {2012}, month = {JAN}, pages = {36-45}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We report the studies related to the growth of crystalline AlN in a DC thermal plasma reactor, operated by a transferred arc plasma torch. The reactor is capable of producing the nanoparticles of Al and AlN depending on the composition of the reacting gas. Al and AlN micro crystals are formed at the anode placed on the graphite and nano crystalline Al and AlN gets deposited on the inner surface of the plasma reactor. X-ray diffraction, Raman spectroscopy analysis, single crystal X-ray diffraction and TGA-DTA techniques are used to infer the purity of post process crystals as a hexagonal AlN. The average particle size using SEM was found to be around 30 mu m. The morphology of nanoparticles of Al and AlN, nucleated by gas phase condensation in a homogeneous medium were studied by transmission electron microscopy analysis. The particle ranged in size between 15 and 80 nm in diameter. The possible growth mechanism of crystalline AlN at the anode has been explained on the basis of non-equilibrium processes in the core of the plasma and steep temperature gradient near its periphery. The gas phase species of AlN and various constituent were computed using Murphy code based on minimization of free energy. The process provides 50\% yield of microcrystalline AlN and remaining of Al at anode and that of nanocrystalline h-AlN and c-Al collected from the walls of the chamber is about 33\% and 67\%, respectively. (C) 2011 Elsevier B.V. All rights reserved.
}, keywords = {Crystal morphology, Growth from high temperature solutions, Nitride, Semiconducting aluminum compound}, issn = {0022-0248}, doi = {10.1016/j.jcrysgro.2011.11.011}, author = {Kanhe, Nilesh S. and Nawale, Ashok B. and Gawade, Rupesh L. and Puranik, Vedavati G. and Bhoraskar, S. V. and Das, Asoka K. and Mathe, Vikas L.} } @article { ISI:000308414500020, title = {Unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone}, journal = {Chemical Communications}, volume = {48}, number = {78}, year = {2012}, month = {AUG}, pages = {9747-9749}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Two folded peptides featuring carboxamide and sulfonamide at the core of the peptide fold have been shown to possess almost similar conformational features, despite the well-known fact that carboxamides and sulfonamides have strikingly different hydrogen-bonding and geometrical preferences.
}, issn = {1359-7345}, doi = {10.1039/c2cc34533a}, author = {Vijayadas, Kuruppanthara N. and Davis, Hilda C. and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article {42709, title = {Use of ruthenium complexes for formation and/or hydrogenation of amides and related carboxylic acid derivatives}, number = {US 13/471,037}, year = {2012}, month = {MAR}, type = {Grant}, chapter = {US9290441 B2}, abstract = {
A process for preparing amides by reacting a primary amine and a primary alcohol in the presence of a Ruthenium complex to generate the amide and molecular hydrogen. Primary amines are directly acylated by equimolar amounts of alcohols to produce amides and molecular hydrogen (the only byproduct) in high yields and high turnover numbers. Also disclosed are processes for hydrogenation of amides to alcohols and amines; hydrogenation of organic carbonates to alcohols; hydrogenation of carbamates or urea derivatives to alcohols and amines; amidation of esters; acylation of alcohols using esters; coupling of alcohols with water and a base to form carboxylic acids; dehydrogenation of beta-amino alcohols to form pyrazines and cyclic dipeptides; and dehydrogenation of secondary alcohols to ketones. These reactions are catalyzed by a Ruthenium complex which is based on a dearomatized PNN-type ligand of formula A1 or precursors thereof of formulae A2 or A3.
}, author = {Milstein, David and Gunanathan, Chidambaram and Ben-David, Yehoshoa and Balaraman, Ekambaram and Gnanaprakasam, Boopathy and Zhang, Jing} } @article {Das, title = {Variable water adsorption in amino acid derivative based homochiral metal organic frameworks}, journal = {Crystal Growth \& Design}, volume = {12}, number = {9}, year = {2012}, month = {SEP}, pages = {4633-4640}, abstract = {
{Six new Cd-containing homochiral metal organic framework materials [
}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Banerjee, Rahul} } @article { ISI:000310721400015, title = {Vertical arrays of SiNWs-ZnO nanostructures as high performance electron field emitters}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {43}, year = {2012}, month = {NOV}, pages = {22922-22928}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Multicomponent hybrid materials of nanostructured building blocks are essential for the development of complex devices and advanced applications due to their role as either functional or interconnecting elements. This study introduces a simple and cost effective strategy for the synthesis of vertical arrays of silicon nanowires and ZnO nanostructures (nanorod and multipod structures). Formation of vertical nanostructured arrays is confirmed by SEM and HRTEM imaging as well as XRD and Raman measurements. We have investigated field emission properties of the as-synthesized vertical nanostructured arrays. Our results show that these SiNWs-ZnO nanostructures are highly efficient and stable field emitters.
}, issn = {0959-9428}, doi = {10.1039/c2jm34224c}, author = {Devarapalli, Rami Reddy and Shinde, Deodatta R. and Barka-Bouaifel, Fatiha and Yenchalwar, Sandeep G. and Boukherroub, Rabah and More, Mahendra A. and Shalke, Manjusha V.} } @article { ISI:000307601300015, title = {Very practical and selective method for PMB protection of alcohols}, journal = {Tetrahedron Letters}, volume = {53}, number = {35}, year = {2012}, month = {AUG}, pages = {4683-4686}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A very simple, practical and efficient one-step heterogeneous protocol for the PMB protection of alcohols using Amberlyst-15 has been developed. The stability and hazard issues regarding PMBCI and PMBBr are totally avoided by directly using anisyl alcohol for the protection. Alcohols are protected in very good yields. The selective mono-PMB protection of diols as well as di-PMB protection of diols was achieved in good yields, along with the demonstration of recyclability of the catalyst. (c) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {4-Methoxybenzyl alcohol, 4-Methoxybenzyl protection, Amberlyst-15, Di-PMB protection, Mono-PMB protection}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.06.084}, author = {Chavan, Subhash P. and Harale, Kishor R.} } @article { ISI:000309100600009, title = {Vibrational multi-reference coupled cluster theory in bosonic representation}, journal = {Journal of Chemical Physics}, volume = {137}, number = {11}, year = {2012}, month = {SEP}, pages = {114108}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
The vibrational multi-reference coupled cluster method is developed to calculate the vibrational excitation energies of polyatomic molecules. The method is implemented on ozone and formaldehyde molecules and the results are compared with full vibrational configuration interaction (FVCI) method. A good agreement is found between the vibrational multi-reference coupled cluster method and converged FVCI method for lower lying vibrational states. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4753422]
}, issn = {0021-9606}, doi = {10.1063/1.4753422}, author = {Banik, Subrata and Pal, Sourav and Prasad, M. Durga} } @article { ISI:000300462600010, title = {Viscosity dependence of intra- and intermolecular diels-alder reactions}, journal = {Journal of Physical Chemistry A}, volume = {116}, number = {4}, year = {2012}, month = {FEB}, pages = {1191-1198}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The kinetics of the bimolecular Die Is Alder reaction between anthracene-9-carbinol and N-ethyl maleimide have been studied in a series of pyridinium-based ionic liquids with the tetrafluoroborate ([BF4](-)) and the bis(trifluorosulfonimide) ([NTf2](-)) anions and the viscosity dependence of the rate constants have been compared with the results for the intramolecular Diels Alder reaction of (E)-1-phenyl-4-[2-(3-methyl-2-butenyloxy)benzylidene]-5-pyrazolone. The comparison leads to the surprising observation that the intermolecular reaction is less susceptible to viscosity variations of the ionic liquids as compared to the intramolecular reaction. The observed similarities and differences emphasize the complicated nature of solvent friction on the kinetics of cycloaddition reactions. The results are explained by considering the bimolecular and intramolecular processes as cases of translational and rotational diffusion, respectively. Plausible indicators of microviscosity consistent with the kinetic data for the Diels-Alder reactions are briefly discussed along with the constraints involved in designing a general microviscosity scale.
}, issn = {1089-5639}, doi = {10.1021/jp208989z}, author = {Tiwari, Shraeddha and Kumar, Anil} } @article { ISI:000300458200002, title = {Visible light photoredox catalysis: generation and addition of N-aryltetrahydroisoquinoline-derived alpha-amino radicals to michael acceptors}, journal = {Organic Letters}, volume = {14}, number = {3}, year = {2012}, month = {FEB}, pages = {672-675}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The photoredox-catalyzed coupling of N-aryltetrahydroisoquinoline and Michael acceptors was achieved using Ru(bpy)(3)Cl-2 or [Ir(ppy)(2)-(dtb-bpy)]PF6 in combination with irradiation at 455 nm generated by a blue LED, demonstrating the trapping of visible light generated alpha-amino radicals. While intermolecular reactions lead to products formed by a conjugate addition, in intramolecular variants further dehydrogenation occurs, leading directly to 5,6-dihydroindolo[2,1-a]tetrahydroisoquinolines, which are relevant as potential immunosuppressive agents.
}, issn = {1523-7060}, doi = {10.1021/ol202857t}, author = {Kohls, Paul and Jadhav, Deepak and Pandey, Ganesh and Reiser, Oliver} } @article { ISI:000304888700036, title = {Visible-light-induced photosplitting of water over gamma {\textquoteleft}-Fe4N and gamma {\textquoteleft}-Fe4N/alpha-Fe2O3 nanocatalysts}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {22}, year = {2012}, month = {JUN}, pages = {12156-12164}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The application of gamma{\textquoteright}-Fe4N, a noble-metal-free, low-cost catalyst, in the photosplitting of neat water into stoichiometric amounts of H-2 and O-2 under visible-light irradiation is reported for the first time. The catalyst showed optical absorption and photoluminescence emission bands in the entire visible region. The photocatalytic water-splitting activity was wavelength-dependent, the quantum efficiency for H-2 evolution being ca. 1.7 and 0.7\% at excitation wavelengths of 450 and 500 nm, respectively. Addition of electron donor/acceptor sacrificial reagents considerably affected the yield and stoichiometry of H-2 and O-2. At the same time, the product yield increased in a composition-dependent manner for (gamma{\textquoteright}-Fe4N)(x) + (alpha-Fe2O3)(1-x) nanocomposites. This activity augmentation is ascribed to the better dispersion of the active component gamma{\textquoteright}-Fe4N and also to the availability of more active surface sites at Fe4N/Fe2O3 contacts. Moreover, the proximity of the valence band potential of the component photosystems promotes the preferential transfer/entrapment of photoexcited hole carriers. We envisage that the defect/impurity-induced interband-gap energy states may play a vital role in these charge-transfer processes, leading thereby to more effective e(-)-h(+) separation and the enhanced rate of the water-splitting reaction. First-principles electronic structure analysis suggests that the extraordinary photocatalytic and optical properties of intermetallic gamma{\textquoteright}-Fe4N may arise from the particle-size-dependent changes in electronic structure.
}, issn = {1932-7447}, doi = {10.1021/jp303255f}, author = {Dhanasekaran, P. and Salunke, Hemant G. and Gupta, Narendra M.} } @article {43234, title = {VUV Photoionization and Ab initio determination of the ionization energy of a gas-phasesugar (deoxyribose)}, journal = {Journal of Physical }, volume = {3}, year = {2012}, month = {JAN}, pages = { 97-101}, abstract = {The ionization energy of gas-phase deoxyribose was determined using tunable vacuum ultraviolet synchrotron radiation coupled to an effusive thermal source. Adiabatic and vertical ionization energies of the ground and first four excited states of alpha-pyranose, the structure that dominates in the gas phase, were calculated using high-level electronic structure methods. An appearance energy of 9.1(+/- 0.05) eV was recorded, which agrees reasonably well with a theoretical value of 8.8 eV for the adiabatic ionization energy. A clear picture of the dissociative photoionization dynamics of deoxyribose emerges from the fragmentation pattern recorded using mass spectrometry and from ab initio molecular dynamics calculations. The experimental threshold 9.4 (+/- 0.05) eV for neutral water elimination upon ionization is captured well in the calculations, and qualitative insights are provided by molecular orbital analysis and molecular dynamics snapshots along the reaction coordinate.}, doi = {10.1021/jz201446r}, author = {Ghosh, Debashree and Golan, Amir and Takahashi, Lynelle K. and Krylov, Anna I. and Ahmed, Musahid} } @article { ISI:000308089500003, title = {Water and a protic ionic liquid acted as refolding additives for chemically denatured enzymes}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {37}, year = {2012}, month = {JUN}, pages = {7475-7478}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In this communication, we present the ability of water and a protic ionic liquid, triethyl ammonium phosphate (TEAP) to act as refolding additives for the urea-induced chemical denaturated state of the two enzymes, alpha-chymotrypsin and succinylated Con A. We show that the enzymatic activity is regained and in certain circumstances enhanced.
}, issn = {1477-0520}, doi = {10.1039/c2ob26001h}, author = {Attri, Pankaj and Venkatesu, P. and Kumar, Anil} } @article { ISI:000315745600001, title = {Zoom-in - a targeted database search for identification of glycation modifications analyzed by untargeted tandem mass spectrometry}, journal = {European Journal of Mass Spectrometry}, volume = {18}, number = {6}, year = {2012}, month = {JAN}, pages = {475-481}, publisher = {IM PUBLICATIONS}, type = {Article}, address = {6 CHARLTON MILL, CHARLTON, CHICHESTER,, W SUSSEX PO18 0HY, ENGLAND}, abstract = {
Post-translational modifications (PTMs) are very important to biological function, however their identification and characterization is technically challenging. In this study, we have identified glycation modifications by nano LC-MSE, a data independent acquisition work flow, followed by database search using the Protein Lynx Global Server (PLGS). PLGS search with a complete human protein database hardly identified glycation modifications in a glycated human serum albumin (HSA), which was detected to be glycated by western blotting with advanced glycation end products (AGE) antibody and fluorescence spectroscopy. To overcome this difficulty, {\textquoteleft}{\textquoteleft}Zoom-In{\textquoteright}{\textquoteright} approach, a targeted database search was used to identify glycation modifications in a glycated HSA, which were further manually validated. This approach was useful for identification of glycation modifications from untargeted tandem mass spectrometry workflow such as MSE, but may require the development of a new algorithm or an upgrade of the existing software.
}, keywords = {advanced glycation end products (AGEs), data independent acquisition, Diabetes, post-translational modifications}, issn = {1469-0667}, doi = {10.1255/ejms.1203}, author = {Bhonsle, Hemangi S. and Korwar, Arvind M. and Kesavan, Suresh K. and Bhosale, Santosh D. and Bansode, Sneha B. and Kulkarni, Mahesh J.} } @article { ISI:000321203900073, title = {1-Dimensional confinement of porous polyethylenedioxythiophene using carbon nanofibers as a solid template: an efficient charge storage material with improved capacitance retention and cycle stability}, journal = {RSC Advances}, volume = {3}, number = {29}, year = {2013}, month = {APR}, pages = {11877-11887}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Here, we report a highly conducting porous 1-dimensionally (1-D) confined nano hybrid of polyethylenedioxythiophene (PEDOT) using a cup-stacked hollow carbon nanofiber (CNF) as a solid template for potential charge storage applications. The unique features of the nano confinement involve significantly high porosity and conductivity with the establishment of the 1-D architecture. Since the tubular morphology of the CNF with its open tips provides facile routes for the electrolyte, the overall utilization of the active surface and conductivity increases the charge storage properties of PEDOT in the hybrid. The approach helped in achieving a high specific capacitance of 177 F g(-1) for 40\% PEDOT-CNF at a scan rate of 50 mV s(-1) and in retaining 130 F g(-1) even at 3000 mV s(-1) compared to 76 and 30 F g(-1) respectively given by pure PEDOT in 0.5 M H2SO4. The hybrid CP-40 shows a very high power density of 51 kW kg(-1) with an energy density of 4.7 Wh kg(-1). High capacitance retention is supported by the low charge transfer resistance and very low time constant (less than 0.5 s) values for the hybrid using impedance analysis. Phase angle calculations from a Bode plot also show an ideal capacitive nature with -90 degrees phase difference at 0.1 Hz for the hybrids. Apart from all these, the solid CNF backbone helps the hybrid material to display excellent cycle stability with \>98\% retention in capacitance over 4500 charge-discharge cycles compared to pristine PEDOT at a current density of 2 A g(-1).
}, issn = {2046-2069}, doi = {10.1039/c3ra40853a}, author = {Anothumakkool, Bihag and Bhange, Siddheshwar N. and Unni, SreeKuttan M. and Kurungot, Sreekumar} } @article { ISI:000317929800033, title = {3-Dimensionally self-assembled single crystalline platinum nanostructures on few-layer graphene as an efficient oxygen reduction electrocatalyst}, journal = {RSC Advances}, volume = {3}, number = {19}, year = {2013}, month = {FEB}, pages = {6913-6921}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Here, we report for the first time the synthesis of a 3-D self-assembled single crystalline platinum nanostructure directly on the graphene surface (PtNAGE) without using any harmful structural directing agents. A slow reduction method is used to prepare the desired platinum morphology. Initial formation of platinum nanoparticles and their homogenous dispersion on the surface of graphene have been observed 10 h after the commencement of the reduction using formic acid as the reducing agent. From these initially deposited seed particles, the growth starts on the {111} facets along the \< 111 \> direction and the nanostructure formation is completed within 72 h of the commencement of the reaction. The individual assembly has a diameter of similar to 80 nm. PtNAGE shows superior electrocatalytic activity towards oxygen reduction compared to graphene supported platinum (PtGE) and commercial carbon supported platinum (PtC) catalysts. PtNAGE is less vulnerable to strong hydroxyl adsorption compared to PtC and PtGE. Specific activity and mass activity of the catalyst are high compared to PtC by a factor of 6.50 and 1.80, respectively, and 4.00 and 3.05, respectively, compared to PtGE. The limiting current density of PtNAGE is 1.28 and 1.20 times higher than PtGE and PtC, respectively. Kinetic analysis of PtNAGE shows that the oxygen reduction reaction follows first order kinetics involving a four electron transfer mechanism with the direct formation of water. In addition to this, it has been observed that PtNAGE also prevents surface area degradation better than the commercial platinised carbon under potential induced conditions.
}, issn = {2046-2069}, doi = {10.1039/c3ra23112g}, author = {Unni, SreeKuttan M. and Pillai, Vijayamohanan K. and Kurungot, Sreekumar} } @article { ISI:000315775800008, title = {Acetone vapour sensing characteristics of undoped and Zn, Ce doped SnO2 thick film gas sensor}, journal = {Materials Research Innovations}, volume = {17}, number = {2}, year = {2013}, month = {APR}, pages = {98-105}, publisher = {MANEY PUBLISHING}, address = {STE 1C, JOSEPHS WELL, HANOVER WALK, LEEDS LS3 1AB, W YORKS, ENGLAND}, abstract = {
The nanocrystalline materials of zinc and ceria doped tin oxide [(Zn+Ce)-SnO2] powders were synthesised by coprecipitation method and investigated for their sensing properties towards liquid petroleum gas (LPG), ethanol, ammonia and acetone vapour. The crystal structure and phase of the as synthesised and sintered powders were characterised by X-ray diffractometer and the microstructure by scanning electron microscopy. All the doped and undoped SnO2 compositions revealed single phase solid solution formation. Transmission electron microscope results indicated that well crystallised (Zn+Ce) doped SnO2 particles of size similar to 7 nm were obtained at the annealing temperature of 650 degrees C. The reduction in grain size of the metal oxide is a key factor to enhance the gas sensing properties. The doping of zinc, ceria in SnO2 has reduced the grain size and improved the gas response. The results of gas sensing measurements showed that the thick films deposited on alumina substrates using screen printing technique exhibited high response to acetone at an operating temperature of 300 degrees C. Further, the selectivity of the sensor towards acetone with respect to other reducing gases (LPG, ethanol and ammonia) was studied.
}, keywords = {Gas, Screen printing, Sensor, SnO2}, issn = {1432-8917}, doi = {10.1179/1433075X12Y.0000000035}, author = {Bagal, L. K. and Patil, J. Y. and Bagal, K. N. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000323842900043, title = {Active sites in modified copper catalysts for selective liquid phase dehydration of aqueous glycerol to acetol}, journal = {RSC Advances}, volume = {3}, number = {37}, year = {2013}, month = {JUL}, pages = {16499-16508}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report here the influence of oxides of various metals viz. Ba, Mg, Zr, Zn, Al, and Cr in modified copper catalysts, on the formation of different copper species and acid sites responsible for dehydration of aqueous glycerol to acetol. These catalysts were prepared by a co-precipitation method, among which the catalysts having higher acid strength and predominant Bronsted acidity (Cu-Mg, Cu-Zr and Cu-Al) gave the highest acetol selectivity (76-92\%), while the catalysts with lower acidity such as Cu-Zn showed very poor (25\%) selectivity to acetol in spite of the highest conversion of 68\%. Nevertheless, catalysts exhibiting higher activity and acetol selectivity also showed the presence of metallic Cu confirmed by XRD and XANES-EXAFS characterization. Based on these results, two different catalytic pathways have been proposed highlighting the role of Lewis and Bronsted acidity along with the metal sites in individual steps of glycerol dehydration reaction.
}, issn = {2046-2069}, doi = {10.1039/c3ra42348d}, author = {Mane, Rasika B. and Yamaguchi, Aritomo and Malawadkar, Atul V. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article { ISI:000323497900010, title = {Alishewanella solinquinati sp nov., isolated from soil contaminated with textile dyes}, journal = {Current Microbiology}, volume = {67}, number = {4}, year = {2013}, month = {OCT}, pages = {454-459}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
A novel Gram-negative, motile, rod-shaped, facultative anaerobic bacterial strain, KMK6(T), was isolated from soil contaminated with textile dyes from an industrial estate located at Ichalkaranji, Maharashtra, India, and its taxonomical position was established by using a polyphasic approach. The major cellular fatty acids included C-17:1 omega 8c, summed feature 3 (C-16:1 omega 7c and/or iso-C-15:0 2-OH), C-17:0, C-16:0,C- and C-18:1 omega 7c. The DNA G+C content of strain KMK6(T) was 48.8 mol \%. 16S rRNA gene sequence analysis confirmed its placement in the genus Alishewanella, and exhibited sequence similarity levels of below 97 \% to the type strains of validly published Alishewanella species. On the basis of genotypic and phenotypic evidence, strains KMK6(T) is considered to be a novel species of the genus Alishewanella, for which we propose that strain KMK6(T) (=NCIM 5295(T) =BCRC 17848(T)) is assigned to a novel species, Alishewanella solinquinati sp. nov.
}, issn = {0343-8651}, doi = {10.1007/s00284-013-0385-7}, author = {Kolekar, Yogesh M. and Pawar, Shrikant P. and Adav, Sunil S. and Zheng, Liu-Qiang and Li, Wen-Jun and Shouche, Yogesh S. and Dastager, Syed Gulam and Kodam, Kisan M.} } @article { ISI:000315758900005, title = {Alpha-trimethylsilylmethylamine radical cation in the synthesis of cyclic amines and beyond}, journal = {Chimia}, volume = {67}, number = {1-2}, year = {2013}, month = {FEB}, pages = {30-38}, publisher = {SWISS CHEMICAL SOC}, address = {SCHWARZTORSTRASSE 9, CH-3007 BERN, SWITZERLAND}, abstract = {
The evolution of chemistry associated with the photoinduced electron transfer (PET)-generated alpha-trimethylsilylmethylamine radical cation cyclization to a tethered olefin to synthesize byclic amine structural frame works is presented in chronological order. The importance of this interesting chemistry is demonstrated by the synthesis of several novel glycosidase inhibitors.
}, keywords = {1-N-Iminosugars, alpha-Amine radical, alpha-Trimethylsilyl methylamine radical cation, Glycosidase inhibitors, Photoinduced electron transfer (PET)}, issn = {0009-4293}, doi = {10.2533/chimia.2013.30}, author = {Pandey, Ganesh and Dey, Debasis and Gadre, Smita R.} } @article { ISI:000325423500046, title = {Alterations in the helicoverpa armigera midgut digestive physiology after ingestion of pigeon pea inducible leucine aminopeptidase}, journal = {Plos One}, volume = {8}, number = {9}, year = {2013}, month = {SEP}, pages = {e74889}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Jasmonate inducible plant leucine aminopeptidase (LAP) is proposed to serve as direct defense in the insect midgut. However, exact functions of inducible plant LAPs in the insect midgut remain to be estimated. In the present investigation, we report the direct defensive role of pigeon pea inducible LAP in the midgut of Helicoverpa armigera (Lepidoptera: Noctuidae) and responses of midgut soluble aminopeptidases and serine proteinases upon LAP ingestion. Larval growth and survival was significantly reduced on the diets supplemented with pigeon pea LAP. Aminopeptidase activities in larvae remain unaltered in presence or absence of inducible LAP in the diet. On the contrary, serine proteinase activities were significantly decreased in the larvae reared on pigeon pea LAP containing diet as compared to larvae fed on diet without LAP. Our data suggest that pigeon pea inducible LAP is responsible for the degradation of midgut serine proteinases upon ingestion. Reduction in the aminopeptidase activity with LpNA in the H. armigera larvae was compensated with an induction of aminopeptidase activity with ApNA. Our findings could be helpful to further dissect the roles of plant inducible LAPs in the direct plant defense against herbivory.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0074889}, author = {Lomate, Purushottam R. and Jadhav, Bhakti R. and Giri, Ashok P. and Hivrale, Vandana K.} } @article { ISI:000322068400048, title = {Aminosilicate sol-gel stabilized N-doped TiO2-Au nanocomposite materials and their potential environmental remediation applications}, journal = {RSC Advances}, volume = {3}, number = {32}, year = {2013}, month = {MAY}, pages = {13390-13398}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A facile chemical reduction method to synthesize amine functionalized silicate sol-gel-supported gold-deposited nitrogen-doped Degussa-TiO2 nanocomposite materials (APS/(N-P25-Au)(NCM)) is reported and the materials are characterized by DRS, PL, XRD, TEM, Raman, XPS and BET surface area analysis. The application of the synthesized APS/(N-P25-Au)(N)CM towards environmental remediation processes are investigated by studying the catalytic oxidation of carbon monoxide (CO) and photocatalytic reduction of toxic mercuric (Hg(II)) ions. The catalytic and photocatalytic activity of the prepared catalysts are found to be in the order of APS/(N-P25-Au)(NCM) \>\> APS/(P25-Au)(NCM) \> N-P25 \> P25. The enhanced catalytic and photocatalytic activities of the APS/(N-P25-Au)(NCM) can be attributed to the synergistic effect of Au-nps and N-doped P25. The catalytic activities of the APS/(N-P25-Au)(NCM) are very promising in the field of green technology for the environmental cleaning applications.
}, issn = {2046-2069}, doi = {10.1039/c3ra40573g}, author = {Pandikumar, Alagarsamy and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S. and Ramaraj, Ramasamy} } @article { ISI:000322358100002, title = {Antimycobacterial agent, (E)-phytol and lauric amide from the plant Lagascea mollis}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {52}, number = {7}, year = {2013}, month = {JUL}, pages = {901-903}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
Chemical examination of aerial parts of the plant, Lagascea mollis has resulted in the isolation of two compounds, an acyclic diterpene alcohol which has been identified as (E)-phytol 1 and lauric amide 3. Their structures have been elucidated by spectral data and chemical transformations. This is the first report of isolation of both these compounds from this plant It is noteworthy that compound 1 has been found to be a potent antimycobacterial agent and thus, L. mollis could be exploited as an alternative source.
}, keywords = {amide, chemical transformation, diterpene, Lagascea mollis, structure elucidation}, issn = {0376-4699}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C.} } @article { ISI:000326319700002, title = {Antimycobacterial labdane diterpenes from leucas stelligera}, journal = {Journal of Natural Products}, volume = {76}, number = {10}, year = {2013}, month = {OCT}, pages = {1836-1841}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Phytochemical investigation of the acetone extract of the aerial parts of Leucas stelligera afforded four new compounds (1-4) belonging to the labdane diterpene series as well as two known flavones, velutin (5) and chrysoeriol (6). Structure elucidation of the new compounds was carried out using ID and 2D NMR spectroscopic data and single-crystal X-ray crystallography of compound 1. Compounds 1-4 exhibited selective antimycobacterial activity against Mycobacterium tuberculosis with IC50 values in the range 5.02-9.80 mu g/mL.
}, issn = {0163-3864}, doi = {10.1021/np400002p}, author = {Kulkarni, Roshan R. and Shurpali, Ketaki and Puranik, Vedavati G. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000320036300013, title = {Ant-pro reverse-turn motif. structural features and conformational characteristics}, journal = {European Journal of Organic Chemistry}, number = {17, SI}, year = {2013}, month = {JUN}, pages = {3529-3542}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
This article details the characteristic conformational features of the Ant-Pro reverse turn ? a folded pseudo -turn motif that displays a closed nine-membered-ring hydrogen-bonded network involving just two amino acid residues, namely anthranilic acid (Ant; a constrained -amino acid), and proline (Pro; a constrained -amino acid). The results from the extensive investigation of ten crystal structures and their NMR conformations in the solution state provide a clear idea about the conformational characteristics of the Ant-Pro reverse turn. The Ant and Pro residues, which form the turn segment, maintain a perfect antiperiplanar orientation throughout, leaving little possibility for the formation of the otherwise possible six-membered hydrogen-bonding that requires a coplanar disposition of the two amino acid residues, as clearly evident from investigation of several crystal structures. The closed hydrogen-bonded network observed in the Ant-Pro reverse turn motif, formed in the forward direction of the sequence (12 amino acid interactions) involving only two amino acid residues, is in stark contrast to the native -turns that involve four residues to form hydrogen-bonded network featuring backward 14 amino acid interactions. The readily available two-residue Ant-Pro motif raises the possibility of a practical utility, particularly in the application of rigidifying flexible peptide backbones by inserting the robust Ant-Pro reverse turn motifs into their backbone.
}, keywords = {Peptides, Peptidomimetics, Protein folding, Protein structures}, issn = {1434-193X}, doi = {10.1002/ejoc.201201739}, author = {Thorat, Vijaykumar H. and Ingole, Tukaram S. and Vijayadas, Kuruppanthara N. and Nair, Roshna V. and Kale, Sangram S. and Ramesh, Veera V. E. and Davis, Hilda C. and Prabhakaran, Panchami and Gonnade, Rajesh G. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000321665000007, title = {Applications of lithium zirconium silicate at high temperature for the carbon dioxide sorption and conversion to syn-gas}, journal = {Water Air and Soil Pollution}, volume = {224}, number = {6}, year = {2013}, month = {JUN}, pages = {1569}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The applications of different samples of lithium zirconium silicate contributing to CO2 sorption and conversion of CO2 to syn-gas at high temperatures were investigated. Several samples of lithium zirconium silicate prepared by solid-solid fusion method were calcined in air or nitrogen atmosphere at 900 degrees C for 3 h. The lithium zirconium silicate samples were characterized by acidity/alkalinity, surface area, XRD pattern, SEM images, and CO2 sorption. The alkalinity and surface area of the samples of lithium zirconium silicate were found to be in the range of 15.1 to 20.0 mmol g(-1) and 0.05 to 2.13 m(2) g(-1), respectively. The temperature profile of CO2 sorption by samples of lithium zirconium silicate was given for the range 100 to 700 degrees C. The CO2 sorption was found to be in the range of 12.81 to 18.04 wt.\% at 550 degrees C for samples of lithium zirconium silicate with different Li/Zr/Si mole ratios from 1 to 6. The crystalline phases in the samples of the lithium zirconium silicate, Li6Si2O7, ZrSiO4, Li2SiO3, Li2ZrO3, Li4ZrO4, and Li4SiO4 could contribute to CO2 capture. The conversion of CO2 by methane to syn-gas over the lithium silicate samples and PdO (5 wt.\%)/Al2O3 at 500 degrees C with the gas hourly space velocities 6,000, 12,000, and 36,000 mL h(-1) g(-1) of methane and 6,000 mL h(-1) g(-1) of CO2 was explored. However, the higher conversion of CO2 to syn-gas was observed at the low gas hourly space velocity of 6,000 mL h(-1) g(-1) of methane.
}, keywords = {Applications of lithium zirconium silicate, CO2 sorption, Solid-solid fusion method, Syn-gas, Temperature profile}, issn = {0049-6979}, doi = {10.1007/s11270-013-1569-2}, author = {Raskar, Reshma and Rane, Vilas and Gaikwad, Abaji G.} } @article { ISI:000319545800013, title = {Approach towards biocatalytic valorisation of barley beta-glucan for bioethanol production using 1,3-1,4 beta-glucanase and thermotolerant yeast}, journal = {International Biodeterioration \& Biodegradation}, volume = {82}, year = {2013}, month = {AUG}, pages = {81-86}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The exploitation of renewable resource containing polymers other than cellulose and hemicellulose are critically important for the feasibility of biofuel production. The potential of 1,3-1,4 glucan 4-gluconohydrolyase mediated saccharification of barley beta-glucan (BG) was investigated for ethanol production using thermotolerant Saccharomyces sp. A maximum hydrolysis of 71\% was obtained in 24 h using in-house produced 1,3-1,4 beta-glucanase from an alkalothermophilic Thermomonospora sp. whereas the hydrolysis was 100\% with Accellerase (TM) 1000. The synergistic effect of beta-glucosidase and 1,3-1,4 beta-glucanase was demonstrated by the exogenous addition of beta-glucosidase to Thermomonospora 1,3-1,4 beta-glucanase which resulted in complete hydrolysis of BG. The hydrolysates of BG obtained using Accellerase or a cocktail of Thermomonospora 1,3-1,4 beta-glucanase and beta-glucosidase when fermented with free cells of Saccharomyces at 40 degrees C produced an ethanol yield of 0.44 g g(-1) and 0.46 g g(-1) respectively and when fermented with immobilized cells produced a yield of 0.49 g g(-1). The Ca-alginate immobilized yeast cells were reused nine times at 40 degrees C with 100\% fermentation efficiency. The economics of barley-to-fuel ethanol program will ameliorate if in addition to barley starch, beta-glucan is also utilized. (c) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {1, 3-1, 4 Glucan 4-gluconohydrolyase, Barley beta-glucan, Ethanol, Hydrolysis, Synergism, Thermotolerant yeast}, issn = {0964-8305}, doi = {10.1016/j.ibiod.2013.03.002}, author = {Divate, Rupesh and Menon, Vishnu and Rao, Mala} } @article { ISI:000319942700023, title = {Arsenomics of exiguobacterium sp PS (NCIM 5463)}, journal = {RSC Advances}, volume = {3}, number = {25}, year = {2013}, month = {APR}, pages = {9705-9713}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In the present study, arsenate [As(V)] tolerant organisms were isolated from a metal contaminated site, and identified by 16S rDNA sequencing as Exiguobacterium sp. Arsenomics (omics of arsenic response) in Exiguobacterium sp. PS via two-dimensional gel electrophoresis (2-DGE) coupled with identification of proteins using MALDI-TOF MS, MALDI-TOF MS/MS and LC/MSE are studied vide this paper. Out of 2460 Coomassie stained proteins, 270 were differentially expressed (p \< 0.05). Considering the resolution and abundance level, 45 spots (proteins) were subjected to MALDI-TOF MS/MS, MALDI-TOF/TOF and LC/MSE. Out of these, 33 were identified and categorized into several functional categories (including both known and novel/putative stress responsive proteins) viz., carbohydrate and energy metabolism, stress response, motility, amino acid, and purine and protein synthesis. The identifications of unique proteins, phosphate ABC transporter ATPase subunit and pyridine nucleotide disulfide oxidoreductase, are the significant findings of the present study which may be used as markers of As(V) stress in Exiguobacterium sp. PS. The absence of As(V) reductase activity and non-amplification of the arsC gene of the ars operon suggests that the classical mechanism of As(V) resistance may not be operating in Exiguobacterium sp. PS. Lastly, considering the fact that proteomic studies under As(V) stress were performed only in Gram negative organisms, this study is the first comprehensive endeavour to explore the mechanism of As(V) response in Gram positive organisms, Exiguobacterium sp. PS at the proteomic level.
}, issn = {2046-2069}, doi = {10.1039/c3ra40897c}, author = {Sacheti, Poonam and Bhonsle, Hemangi S. and Patil, Rajendra and Kulkarni, Mahesh J. and Srikanth, Rapole and Gade, Wasudeo N.} } @article { ISI:000322853000052, title = {Aryne insertion reactions leading to bioactive fused quinazolinones: diastereoselective total synthesis of cruciferane}, journal = {Organic Letters}, volume = {15}, number = {15}, year = {2013}, month = {AUG}, pages = {4006-4009}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Insertion reactions of an in situ generated arynes to a variety of suitably substituted 1,3-quinazolin-4-ones have been demonstrated for a new efficient one-step approach to a diverse range of fused quinazolinone architectures. The present protocol has been effectively utilized to accomplish the concise total synthesis of recently isolated bioactive natural products tryptanthrin, phaitanthrins A-C, and cruciferane.
}, issn = {1523-7060}, doi = {10.1021/ol4018062}, author = {Vaidya, Sagar D. and N. P. Argade} } @article { ISI:000326049600005, title = {Ascertaining universal features of yielding of soft materials}, journal = {Rheologica Acta}, volume = {52}, number = {10-12}, year = {2013}, month = {NOV}, pages = {859-865}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Many metastable complex fluids, when subjected to oscillatory shear flow of increasing strain amplitude at constant frequency, are known to show a characteristic nonlinear rheological response which consists of a monotonic decrease in the elastic modulus and a nonmonotonic change in the loss modulus. In particular, the loss modulus increases from its low strain value, crosses the elastic modulus, and then decreases with further increase in the strain amplitude. Miyazaki et al. (Europhys Lett 75:915-921, 2006) proposed a qualitative argument to explain the origin of the nonmonotonic nature of the loss modulus and suggested that in fact this response could be universal to all complex fluids if they are probed in a certain frequency window in which the fluid is dominantly elastic in the small strain limit. In this letter, we confirm their hypothesis by showing that a wide variety of complex fluids, irrespective of their thermodynamic state under quiescent conditions, indeed show the aforementioned characteristic nonlinear response. We also show that the maximum relative dissipation during yielding occurs when the imposed frequency resonates with the characteristic beta relaxation frequency of the fluid.
}, keywords = {Colloidal suspensions, Entangled melts, Gels, Glasses, Microgels, Rheology, Yielding}, issn = {0035-4511}, doi = {10.1007/s00397-013-0724-4}, author = {Kamble, Samruddhi and Pandey, Anurag and Rastogi, Sanjay and Lele, Ashish K.} } @article { ISI:000326121700015, title = {Asymmetric N-heterocyclic carbene (NHC)-catalyzed annulation of modified enals with enolizable aldehydes}, journal = {Organic Letters}, volume = {15}, number = {20}, year = {2013}, month = {OCT}, pages = {5202-5205}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
N-Heterocyclic carbene (NHC)-catalyzed highly enantioselective lactonization of modified enals with enolizable aldehydes, proceeding via the alpha,beta-unsaturated acylazolium intermediates, is reported. The reaction results in the asymmetric synthesis of synthetically important 4,5-disubstituted dihydropyranones.
}, issn = {1523-7060}, doi = {10.1021/ol4026155}, author = {Yetra, Santhivardhana Reddy and Kaicharla, Trinadh and Kunte, Sunita S. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000316843000010, title = {Asymmetric routes to pentadec-1-en-4-ol: application to the syntheses of aculeatins F and epi-F, (R)- and (S)-5-hexadecanolide and a formal synthesis of solenopsin}, journal = {Tetrahedron-Asymmetry}, volume = {24}, number = {5-6}, year = {2013}, month = {MAR}, pages = {305-314}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short and simple route to the synthesis of pentadec-1-en-4-ol, an important synthetic building block for the aculeatins F and epi-F, insect pheromone 5-hexadecanolide, solenopsin and various other natural products has been developed via proline-catalyzed alpha-aminoxylation of an aldehyde and hydrolytic kinetic resolution of a terminal epoxide. While the synthesis of aculeatins F and epi-F has been accomplished using a FIFA promoted oxidative spirocyclization/dithiane deprotection reaction sequence and linchpin coupling as key steps, the synthesis of hexadecanolide and a formal synthesis of solenopsin was performed using ring-closing metathesis (RCM) as key step. (C) 2013 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2013.02.005}, author = {Harbindu, Anand and Sharma, Brijesh M. and Kumar, Pradeep} } @article { ISI:000317094300018, title = {Azide-functionalized lanthanide-based metal-organic frameworks showing selective CO2 gas adsorption and postsynthetic cavity expansion}, journal = {Inorganic Chemistry}, volume = {52}, number = {7}, year = {2013}, month = {APR}, pages = {3588-3590}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report herein selective CO2 gas adsorption by two azide-functionalized lanthanide-based metal-organic frameworks (MOFs). This work also demonstrates that azide-functionalized MOFs can be used for postsynthetic cavity expansion, further corroborated by enhanced gas-sorption data.
}, issn = {0020-1669}, doi = {10.1021/ic302823r}, author = {Ganguly, Sumi and Pachfule, Pradip and Bala, Sukhen and Goswami, Arijit and Bhattacharya, Sudeshna and Mondal, Raju} } @article {43231, title = {Band-like transport in high mobility unencapsulated single-layer MoS2 transistors}, journal = {Applied Physics Letters}, volume = {102}, year = {2013}, month = {APR}, pages = {Article Number: 173107}, abstract = {Ultra-thin MoS2 has recently emerged as a promising two-dimensional semiconductor for electronic and optoelectronic applications. Here, we report high mobility (>60 cm(2)/Vs at room temperature) field-effect transistors that employ unencapsulated single-layer MoS2 on oxidized Si wafers with a low level of extrinsic contamination. While charge transport in the sub-threshold regime is consistent with a variable range hopping model, monotonically decreasing field-effect mobility with increasing temperature suggests band-like transport in the linear regime. At temperatures below 100 K, temperature-independent mobility is limited by Coulomb scattering, whereas, at temperatures above 100 K, phonon-limited mobility decreases as a power law with increasing temperature. (C) 2013 AIP Publishing LLC.}, doi = {10.1063/1.4803920}, author = {Jariwala, Deep and Sangwan, Vinod K. and Late, Dattatray J. and Johns, James E. and Dravid, Vinayak P. and Marks, Tobin J. and Lauhon, Lincoln J. and Hersam, Mark C.} } @article { ISI:000327558400001, title = {Base-catalyzed mukaiyama-type aldol additions, a continued quest for stereoselectivity}, journal = {Tetrahedron-Asymmetry}, volume = {24}, number = {21-22}, year = {2013}, month = {NOV}, pages = {1345-1363}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Base-catalyzed reactions of silyl enolates with carbonyl compounds are an attractive variant of conventional directed aldol reactions. Over the past two decades, the reaction has gained prominence due to its inherent advantage for stereoselective manipulations. The present review provides a brief account of developments in this area. Various approaches are grouped together in order to provide the salient features of each conceptual development. It appears that the methods which generate nascent chiral enolates or cationic siliconium species have the biggest influence on the stereoselectivity. (C) 2013 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2013.09.012}, author = {Sutar, Revannath L. and Joshi, Navalkishore N.} } @article { ISI:000324309600011, title = {Basic structural motif and major biophysical properties of Amyloid-beta are encoded in the fragment 18-35}, journal = {Chemical Physics}, volume = {422}, number = {SI}, year = {2013}, month = {AUG}, pages = {80-87}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Aggregation and misfolding of the amyloid beta (A beta) peptide is thought to initiate Alzheimer{\textquoteright}s disease (AD). Here we study the role played by its central segment (A beta(18-35)) in determining these properties. A beta(18-35) has a solubility of 18 mu M. The soluble fraction consists mainly of small oligomers, which have mixed beta-sheet and random coil structures. The monomer is mostly a random coil with some residual compactness. Aggregated A beta(18-35) forms fibrils of width 3.0 +/- 0.7 nm, which is consistent with a hairpin shape. Each of these properties has a close similarity to A beta(40). Remarkably, solid state NMR indicates that the fibrils also retain the secondary structure and tertiary contacts of A beta(40). This is the shortest fragment of A beta reported so far which preserves its fibrillar architecture, including the hairpin turn, as well as its solution phase conformational properties. Residues 18-35 should therefore be a key target of AD therapeutics. (C) 2013 Published by Elsevier B. V.
}, keywords = {Alzheimer{\textquoteright}s disease, Fluorescence correlation spectroscopy, Protein aggregation, Solid-state NMR}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2013.01.010}, author = {Chandrakesan, Muralidharan and Sarkar, Bidyut and Mithu, Venus Singh and Rajiv M. Abhyankar and Bhowmik, Debanjan and Nag, Suman and Sahoo, Bankanidhi and Shah, Riddhi and Gurav, Sushma and Banerjee, Raja and Dandekar, Sucheta and Jose, Jaya C. and Sengupta, Neelanjana and Madhu, Perunthiruthy K. and Maiti, Sudipta} } @article { ISI:000318296700031, title = {Biocatalysis: fungi mediated novel and selective 12 beta- or 17 beta-hydroxylation on the basic limonoid skeleton}, journal = {Green Chemistry}, volume = {15}, number = {5}, year = {2013}, month = {MAR}, pages = {1311-1317}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Basic limonoids carrying a 4,4,8-trimethyl-17-furanylsteroid skeleton are a class of triterpenoids and well-known for their insecticidal as well as a vast array of pharmacological activities. Rare and synthetically challenging 12 beta- and 17 beta-hydroxylation was achieved on the basic limonoid skeleton to produce a novel series of hydroxylated limonoids using fungi-mediated biocatalysis. The fungal system belonging to the genera of Mucor efficiently converted azadiradione, epoxyazadiradione, gedunin and their derivatives into corresponding 12 beta- and/or 17 beta-hydroxy derivatives. The position and stereochemistry of hydroxylation was determined by rigorous spectroscopic and crystallographic studies. This fungi-mediated stereo- and regio-selective hydroxylation process was highly efficient and mild enough to sustain chemically sensitive functional groups around the basic limonoid skeleton. Modifications of specific functional groups and variation in biocatalyst were shown to bring selectivity among 12 beta- or 17 beta-hydroxylation.
}, issn = {1463-9262}, doi = {10.1039/c3gc40193f}, author = {Haldar, Saikat and Kolet, Swati P. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000326008500015, title = {Biocatalyst mediated production of 6 beta,11 alpha-dihydroxy derivatives of 4-ene-3-one steroids}, journal = {Steroids}, volume = {78}, number = {11}, year = {2013}, month = {NOV}, pages = {1152-1158}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Biotransformation of steroids with 4-ene-3-one functionality such as progesterone (I), testosterone (II), 17 alpha-methyltestosterone (III), 4-androstene-3,17-dione (IV) and 19-nortestosterone (V) were studied by using a fungal system belonging to the genera of Mucor (M881). The fungal system efficiently and quantitatively converted these steroids in regio- and stereo-selective manner into corresponding 6 beta,11 alpha-dihydroxy compounds. Time course experiments suggested that the transformation was initiated by hydroxylation at 6 beta- or 11 alpha-(10 beta-hydroxy in case of V) to form monohydroxy derivatives which upon prolonged incubation were converted into corresponding 613,11oc-dihydroxy derivatives. The fermentation studies carried out using 5 L table-top fermentor with substrates (I and II) clearly indicates that 6 beta,11 alpha-dihydroxy derivatives of steroids with 4-ene-3-one functionality can be produced in large scale by using M881. (C) 2013 Elsevier Ltd.
}, keywords = {4-Ene-3-one steroids, Biotransformation, Mucor sp.}, issn = {0039-128X}, doi = {10.1016/j.steroids.2013.08.004}, author = {Kolet, Swati P. and Niloferjahan, Siddiqui and Haldar, Saikat and Gonnade, Rajesh G. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000320746200022, title = {Biochemical characterization of recombinant cinnamoyl CoA reductase 1 (Ll-CCRH1) from Leucaena leucocephala}, journal = {International Journal of Biological Macromolecules}, volume = {58}, year = {2013}, month = {JUL}, pages = {154-159}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Recombinant cinnamoyl CoA reductase 1 (Ll-CCRH1) protein from Leucaena leucocephala was overexpressed in Escherichia coli BL21 (DE3) strain and purified to apparent homogeneity. Optimum pH for forward and reverse reaction was found to be 6.5 and 7.8 respectively. The enzyme was most stable around pH 6.5 at 25 degrees C for 90 min. The enzyme showed k(cat)/k(m) for feruloyl, caffeoyl, sinapoyl, coumaroyl CoA, coniferaldehyde and sinapaldehyde as 4.6, 2.4, 2.3, 1.7, 1.9 and 1.2 (x10(6) M-1 s(-1)), respectively, indicating affinity of enzyme for feruloyl CoA over other substrates and preference of reduction reaction over oxidation. Activation energy, E-a for various substrates was found to be in the range of 20-50 kJ/mol. Involvement of probable carboxylate ion, histidine, lysine or tyrosine at the active site of enzyme was predicted by pH activity profile. SAXS studies of protein showed radius 3.04 nm and volume 49.25 nm(3) with oblate ellipsoid shape. Finally, metal ion inhibition studies revealed that Ll-CCRH1 is a metal independent enzyme. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Activation energy, Cinnamoyl CoA esters, Cinnamoyl CoA reductase 1, SAXS, stability}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.03.050}, author = {Sonawane, Prashant and Vishwakarma, Rishi Kishore and Khan, Bashir Mohammad} } @article { ISI:000319992200002, title = {Biochemical correlate of dimorphism in a zygomycete benjaminiella poitrasii: characterization of purified NAD-dependent glutamate dehydrogenase, a target for antifungal agents}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {104}, number = {1}, year = {2013}, month = {JUL}, pages = {25-36}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The fungal organisms, especially pathogens, change their vegetative (Y, unicellular yeast and H, hypha) morphology reversibly for survival and proliferation in the host environment. NAD-dependent glutamate dehydrogenase (NAD-GDH, EC 1.4.1.2) from a non-pathogenic dimorphic zygomycete Benjaminiella poitrasii was previously reported to be an important biochemical correlate of the transition process. The enzyme was purified to homogeneity and characterized. It is a 371 kDa native molecular weight protein made up of four identical subunits. Kinetic studies showed that unlike other NAD-GDHs, it may act as an anabolic enzyme and has more affinity towards 2-oxoglutarate than l-glutamate. Chemical modifications revealed the involvement of single histidine and lysine residues in the catalytic activity of the enzyme. The phosphorylation and dephosphorylation study showed that the NAD-GDH is present in active phosphorylated form in hyphal cells of B. poitrasii. Two of the 1,2,3 triazole linked beta-lactam-bile acid conjugates synthesized in the laboratory (B18, B20) were found to be potent inhibitors of purified NAD-GDH which also significantly affected Y-H transition in B. poitrasii. Furthermore, the compound B20 inhibited germ tube formation during Y-H transition in Candida albicans strains and Yarrowia lipolytica. The possible use of NAD-GDH as a target for antifungal agents is discussed.
}, keywords = {Antifungal agent, Benjaminiella poitrasii, Biochemical correlate of dimorphism, Candida albicans, NAD-GDH activity regulation, Yarrowia lipolytica, Yeast-hypha reversible transition}, issn = {0003-6072}, doi = {10.1007/s10482-013-9921-5}, author = {Joshi, C. V. and Pathan, E. K. and Punekar, N. S. and Tupe, S. G. and Kapadnis, B. P. and Deshpande, Mukund V.} } @article { ISI:000320816600007, title = {Biodegradation of chlorobenzene and chlorophenols by pseudomonas cultures}, journal = {Research Journal of Chemistry and Environment}, volume = {17}, number = {7}, year = {2013}, month = {JUL}, pages = {40-43}, publisher = {DR JYOTI GARG}, address = {SECTOR A/80 SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE MP, 452 010, INDIA}, abstract = {
Cultures from NCIM culture collection (National Chemical Laboratory, Pune, India) were screened for biodegradation chlorobenzene (CB). A strain, Pseudomonas sp. NCIM 2303, was found to be most effective. The biodegradation was carried out in aqueous solution by resting cells. The decomposition of 0.02\% CB was 96.64\% in 24h. We have screened cultures for biodegradation of o-chlorophenol and p-chlorophenol. Pseudomonas sp. NCIM 2668 has shown 94.59\% degradation of 0.15\% o-chlorophenol. Pseudomonas sp. NCIM 2668 has shown 31.42\% degradation of 0.2\% p-chlorophenol.
}, keywords = {Biodegradation, chloride, chlorobenzene, etc., pollution, Pseudomonas sp}, issn = {0972-0626}, author = {Bhaskar, Gaikwad G. and Rita, Varma J.} } @article { ISI:000316636600004, title = {Biodegradation of phenol by the yeast candida tropicalis: an investigation by NMR spectroscopy}, journal = {Applied Biochemistry and Biotechnology}, volume = {169}, number = {7}, year = {2013}, month = {APR}, pages = {2029-2037}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
The process of phenol biodegradation by the yeast Candida tropicalis NCIM 3556 in aqueous medium was studied by H-1, C-13, and DOSY NMR techniques. Samples at regular intervals were centrifuged to separate the cells, and H-1 spectral data were collected at 400 MHz. Though a gradual decrease in the concentration of phenol was observed, after an incubation period of similar to 8 h, formation of any intermediate products could not be detected. Experiments carried out with uniformly C-13-labeled phenol also failed to detect formation of any carboxylic acid intermediates during degradation. The studies indicated that the phenol was completely degraded to carbon dioxide and water in approximately 20 h. Self-diffusion coefficient measurements showed that the lifetime of phenol in the bound form is too small to impart any change in its diffusion behavior and the intermediates formed are converted to carbon dioxide and water at a very fast rate.
}, keywords = {biocatalysis, Carboxylic acid, Diffusion, Enzyme, NMR spectroscopy, phenol}, issn = {0273-2289}, doi = {10.1007/s12010-013-0119-0}, author = {Phalgune, U. D. and Rajamohanan, P. R. and Gaikwad, B. G. and Varma, R. J. and George, S.} } @article { ISI:000323396800020, title = {Biological synthesis of silver nanoparticles using the fungus humicola sp and evaluation of their cytoxicity using normal and cancer cell lines}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {114}, year = {2013}, month = {OCT}, pages = {144-147}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Nanoscience is a new born science of the modern era and taps into the potential of particles at nanoscale. Bulk materials reduced to nanoscale dimensions thus obtain unique properties such as electronic, optical, magnetic and chemical. As far as synthesis of nanoparticles is concerned, biological synthesis has recently sparked a great interest as compared to other available chemical and physical methods on account of its eco-friendliness and cost-effectiveness. Here we report, for the first time, the biosynthesis of silver nanoparticles by the thermophilic fungus Humicola sp. The fungus when reacted with Ag+ ions reduces the precursor solution and leads to the formation of extracellular nanoparticles as monitored by ultra violet visible spectroscopy (UV-Vis). The morphology of nanoparticles is found to be spherical with good dispersity as revealed by transmission electron microscopy (TEM). Cell viability assays were carried out to assess the cytotoxicity of silver nanoparticles on NIH3T3 mouse embryonic fibroblast cell line and MDA-MB-231 human breast carcinoma cell line. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Cell viability, Fungus, Humicola sp., Nanoparticles, Silver}, issn = {1386-1425}, doi = {10.1016/j.saa.2013.05.030}, author = {Syed, Asad and Saraswati, Supriya and Kundu, Gopal C. and Ahmad, Absar} } @article { ISI:000325264400010, title = {Biology-orientated synthesis of putrescine bisamides gigantamide A, dasyclamide, and cucullamide}, journal = {Synthesis-Stuttgart}, volume = {45}, number = {20}, year = {2013}, month = {OCT}, pages = {2888-2892}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Starting from putrescine and the requisite carboxylic acids, first syntheses of bioactive natural products gigantamide A, dasyclamide, and cucullamide were accomplished in very good overall yields using an appropriate sequence of dehydrative coupling reactions. The syntheses of the corresponding dehomo analogues of these natural products are also described. Regioselective diisobutylaluminum hydride reduction of an unhindered carbonyl group in citraconimide is the key step.
}, keywords = {dehydrative coupling reactions, diamines, natural and unnatural bisamides, regioselective reduction, synthesis}, issn = {0039-7881}, doi = {10.1055/s-0033-1339658}, author = {Batwal, Ramesh U. and N. P. Argade} } @article { ISI:000322464500002, title = {Biomass to biodegradable polymer (PLA)}, journal = {RSC Advances}, volume = {3}, number = {33}, year = {2013}, month = {JUN}, pages = {13558-13568}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Lignocellulosic biomass is renewable and cheap, and it has the potential to displace fossil fuels for the production of fuels and chemicals. Biomass derived lactic acid is an important compound that can be used as a chemical platform for the production of a variety of important chemicals on a large scale. The quality of the monomers of lactic acid and lactide, as well as the chemical changes induced during polymerization and processing, are crucial parameters for controlling the properties of the resulting polylactic acid (PLA) products. In this review, we outline the process of exploiting biomass for the production of polylactic acid, a biodegradable polymer which is well-known as a sustainable bioplastic material.
}, issn = {2046-2069}, doi = {10.1039/c3ra41592a}, author = {Singhvi, Mamata and Gokhale, Digambar V.} } @article { ISI:000324732600001, title = {Biosurfactant-sophorolipid acts in synergy with antibiotics to enhance their efficiency}, journal = {Biomed Research International}, year = {2013}, month = {APR}, pages = {512495}, publisher = {HINDAWI PUBLISHING CORPORATION}, address = {410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USA}, abstract = {
Sophorolipids (SLs), biosurfactants with antimicrobial properties, have been tried to address the problem of antibiotic resistance. The synergistic action of SL and antibiotics was checked using standard microdilution and spread plate methods. With Staphylococcus aureus, SL-tetracycline combination achieved total inhibition before 4 h of exposure while tetracycline alone couldnot achieve total inhibition till the end of 6 h. The inhibition caused by exposure of bacterium to SL-tetracycline mixture was similar to 25\% more as compared to SL alone. In spite of known robustness of gram-negative bacteria, SL-cefaclor mixture proved to be efficient against Escherichia coli which showed similar to 48\% more inhibition within 2 h of exposure as compared to cefaclor alone. Scanning electron microscopy of the cells treated with mixture revealed bacterial cell membrane damage and pore formation. Moreover, SLs being a type of asymmetric bola, they are expected to form self-assemblies with unique functionality. This led to the speculation that SLs being amphiphilic in nature can span through the structurally alike cell membrane and facilitate the entry of drug molecules.
}, issn = {2314-6133}, doi = {10.1155/2013/512495}, author = {Joshi-Navare, Kasturi and Prabhune, Asmita} } @article { ISI:000321965300043, title = {Biosynthesis of antinutritional alkaloids in solanaceous crops is mediated by clustered genes}, journal = {Science}, volume = {341}, number = {6142}, year = {2013}, month = {JUL}, pages = {175-179}, publisher = {AMER ASSOC ADVANCEMENT SCIENCE}, address = {1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA}, abstract = {
Steroidal glycoalkaloids (SGAs) such as alpha-solanine found in solanaceous food plants-as, for example, potato-are antinutritional factors for humans. Comparative coexpression analysis between tomato and potato coupled with chemical profiling revealed an array of 10 genes that partake in SGA biosynthesis. We discovered that six of them exist as a cluster on chromosome 7, whereas an additional two are adjacent in a duplicated genomic region on chromosome 12. Following systematic functional analysis, we suggest a revised SGA biosynthetic pathway starting from cholesterol up to the tetrasaccharide moiety linked to the tomato SGA aglycone. Silencing GLYCOALKALOID METABOLISM 4 prevented accumulation of SGAs in potato tubers and tomato fruit. This may provide a means for removal of unsafe, antinutritional substances present in these widely used food crops.
}, issn = {0036-8075}, doi = {10.1126/science.1240230}, author = {Itkin, M. and Heinig, U. and Tzfadia, O. and Bhide, Amey J. and Shinde, B. and Cardenas, Pablo D. and Bocobza, S. E. and Unger, T. and Malitsky, Sergey and Finkers, R. and Tikunov, Y. and Bovy, A. and Chikate, Y. and Singh, P. and Rogachev, I. and Beekwilder, J. and Giri, Ashok P. and Aharoni, Asaph} } @article { ISI:000315127000035, title = {Biosynthesis of Se nanoparticles and its effect on UV-induced DNA damage}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {103}, year = {2013}, month = {MAR}, pages = {261-266}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
This paper reports, an environmentally benign procedure of synthesis and characterizations of selenium nanoparticles and their protective effect against UV-induced DNA damage activities. An aqueous leaf extract of lemon plant was used as a precursor for synthesis of colloidal selenium nanoparticles. Resulting nanoparticles were characterized using UV-vis spectrophotometer, photoluminescence, TEM, EDAX, FT-IR and XRD, respectively. Selenium colloidal solution exhibited an absorption maximum at 395 nm and produced an emission maximum at 525 nm. Transmission electron microscopy followed by selected area electron diffraction pattern analysis indicated the formation of spherical, polydispersed, crystalline, selenium nanoparticles of diameter ranging from (similar to 60 to 80 nm). X-ray diffraction studies showed the formation of 111, 2 0 0 and 220 planes of face-centered cubic (fcc) selenium. EDAX analysis confirmed the presence of selenium in nanosphere. Fourier transformed infrared spectroscopic investigation reveled the involvement of carboxyl (-C=0), hydroxyl (-OH), amine (-NH) functional group of lemon plant extract in preparation of selenium nano particles. MU assay as well single cell gel electrophoresis assay or comet assay revealed that synthesized selenium nanoparticles, caused less cell death of lymphocytes and prevented DNA damage, when cells were exposed to UVB. The fluorescent property of selenium nanopartides can be used as diagnostic agent. Further, their anti DNA damaging property can be investigated as a chemotherapeutic agent in cancer therapy. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Comet assay, EDAX, FT-IR, MTT assay, Selenium nanoparticles, UV-vis spectrophotometer}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2012.10.029}, author = {Prasad, Kumar Suranjit and Patel, Hirnee and Patel, Tirtha and Patel, Khusbu and Selvaraj, Kaliaperumal} } @article { ISI:000317939100003, title = {Biotransformation of vinblastine to vincristine by the endophytic fungus fusarium oxysporum isolated from catharanthus roseus}, journal = {Biocatalysis and Biotransformation}, volume = {31}, number = {2}, year = {2013}, month = {APR}, pages = {89-93}, publisher = {INFORMA HEALTHCARE}, address = {TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND}, abstract = {
A fungal transformation method for the production of the less abundant but more valuable anticancer drug vincristine using the more abundant anticancer drug vinblastine by an endophytic fungus Fusarium oxysporum isolated from the plant Catharanthus roseus is described. Vinblastine dissolved in sterile water when incubated with the fungal mycelial mass was transformed into vincristine at room temperature. The biotransformation process was monitored by periodic sampling of aliquots that were extracted with ethyl acetate. The crude transformed compounds were analysed using TLC where the Rf value of the spot obtained on the 8th day was found to be similar to that of standard vincristine (Rf 0.74). Purification by HPLC using a C 18 symmetry column showed a peak with RT (34.9 min) similar to that of standard vincristine. Further characterization with the help of ESI-MS showed a peak at m/z 825 attributed to the (M + H)(+) ion. This indicated that the fungus Fusarium oxysporum had converted vinblastine to vincristine.
}, keywords = {Biotransformation, endophytes, fusarium oxysporum, Vinblastine, vincristine}, issn = {1024-2422}, doi = {10.3109/10242422.2013.776544}, author = {Kumar, Ashutosh and Ahmad, Absar} } @article { ISI:000312004800088, title = {Bulk and surface structure characterization of nanoscopic silver doped lanthanum chromites}, journal = {Applied Surface Science}, volume = {264}, year = {2013}, month = {JAN}, pages = {574-580}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Crystalline state of lanthanum chromites with silver as a dopant has been studied by X-ray diffraction and transmission electron microscopy reveals microscopic properties of grain boundaries. X-ray photoelectron spectroscopy has been used to analyze surface states with atomic ratio of La, Cr, O and Ag as a dopant. LaCrO3 shows mixed valence states of chromium while the silver doped samples exhibit differences in chromium concentration with the oxidation of Cr3+ to Cr6+ in presence of chromium nitrate as a precursor salt. Trivalent stable state of chromium is observed for samples synthesized by chromic acetate as a precursor salt. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Energy dispersive analysis of X-rays, Microwave combustion synthesis, Perovskite nanostructures, transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2012.10.067}, author = {Desai, P. A. and Joshi, P. N. and Patil, K. R. and Athawale, Anjali A.} } @article { ISI:000320838200014, title = {C-3 {\textquoteleft}-endo-puckered pyrrolidine containing PNA has favorable geometry for RNA binding: novel ethano locked PNA (ethano-PNA)}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {21}, number = {14}, year = {2013}, month = {JUL}, pages = {4092-4101}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A novel peptide nucleic acid (PNA) analogue is designed with a constraint in the aminoethyl segment of the aegPNA backbone so that the dihedral angle beta is restricted within 60-80 degrees, compatible to form PNA:RNA duplexes. The designed monomer is further functionalized with positively charged amino-/guanidino-groups. The appropriately protected monomers were synthesized and incorporated into aegPNA oligomers at predetermined positions and their binding abilities with cDNA and RNA were investigated. A single incorporation of the modified PNA monomer into a 12-mer PNA sequence resulted in stronger binding with complementary RNA over cDNA. No significant changes in the CD signatures of the derived duplexes of modified PNA with complementary RNA were observed. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Antisense therapeutics, Conformationally constrained PNA, Diagnostics, Peptide nucleic acid (PNA)}, issn = {0968-0896}, doi = {10.1016/j.bmc.2013.05.015}, author = {Banerjee, Anjan and Kumar, Vaijayanti A.} } @article { ISI:000317712000021, title = {Can molecular cages be effective at small molecule activation? a computational investigation}, journal = {Inorganic Chemistry}, volume = {52}, number = {8}, year = {2013}, month = {APR}, pages = {4238-4243}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Several approaches have been investigated in recent years in the area of small molecule activation. The current work introduces a new concept in this field: that of molecular cages, containing only main group elements, serving to activate small molecules. Full quantum mechanical calculations employing DFT/SCS-MP2 methods indicate that recently synthesized Ga-N cage compounds would be excellent candidates for mediating in important reactions such as the catalysis of ammonia borane dehydrogenation. The current work therefore opens up exciting new possibilities in small molecule activation research.
}, issn = {0020-1669}, doi = {10.1021/ic3019887}, author = {Kuriakose, Nishamol and Vanka, Kumar} } @article { ISI:000325400600023, title = {CAP/EOM-CCSD method for the study of potential curves of resonant states}, journal = {Physical Chemistry Chemical Physics}, volume = {15}, number = {41}, year = {2013}, month = {SEP}, pages = {17915-17921}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The equation-of-motion coupled-cluster (EOM-CC) method along with the complex absorbing potential (CAP) is used for the study of resonance in e(-)-N-2 and e(-)-CO. Resonance position and width are studied as a function of bond length. We report the potential curves (PC) of the resonance states.
}, issn = {1463-9076}, doi = {10.1039/c3cp52552j}, author = {Ghosh, Aryya and Karne, Anagha S. and Pal, Sourav and Vaval, Nayana} } @article { ISI:000313812400048, title = {Carbon nanofiber-RuO2-poly(benzimidazole) ternary hybrids for improved supercapacitor performance}, journal = {RSC Advances}, volume = {3}, number = {7}, year = {2013}, month = {DEC}, pages = {2428-2436}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Carbon nanofiber-RuO2-poly(benzimidazole) ternary hybrid electrode material which integrates dual wall decoration and interfacial area tuning for supercapacitor applications has been devised based on a simple approach. This is achieved by decorating RuO2 nanoparticles of size ca. 2-3 nm along the inner and outer walls of a hollow carbon nanofiber (CNF) support (F-20RuO(2)). In the next step, a proton conducting polymer, phosphoric acid doped polybenzimidazole (PBI-BuI), interface is created along the inner and outer surfaces of this material. A 103\% increase in the specific capacitance is obtained for RuO2-PBI hybrid material as compared to that of F-20RuO(2) at the optimum level of the polymer wrapping. Apart from the high specific capacitance, the RuO2-PBI hybrid materials exhibit enhanced rate capability and excellent electrochemical stability of 98\% retention in the capacitance. Such a remarkably high activity can be primarily attributed to the efficient dispersion of active sites achieved by properly utilizing inner and outer surfaces of CNF. Apart from this, the facile routes for ion transport created as a result of PBI incorporation coupled with excellent interfacial contact between the RuO2 and the electrolyte resulting in the improved utilization of the active material also contribute to the improved activity. In addition to this, the synergistic effects of pseudocapacitive contribution from both the PBI-BuI and RuO2 also contribute to the redefined performance characteristics.
}, issn = {2046-2069}, doi = {10.1039/c2ra22776b}, author = {Balan, Beena K. and Chaudhari, Harshal D. and Kharul, Ulhas K. and Kurungot, Sreekumar} } @article { ISI:000317327900022, title = {Carboxamide versus sulfonamide in peptide backbone folding: a case study with a hetero foldamer}, journal = {Organic Letters}, volume = {15}, number = {7}, year = {2013}, month = {APR}, pages = {1504-1507}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Strikingly dissimilar hydrogen-bonding patterns have been observed for two sets of closely similar hetero foldamers containing carboxamide and sulfonamides at regular intervals. Although both foldamers maintain conformational ordering, the hydrogen-bonding pattern and backbone helical handedness differ diametrically.
}, issn = {1523-7060}, doi = {10.1021/ol4002762}, author = {Ramesh, Veera V. E. and Kale, Sangram S. and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000326660900038, title = {Carrier free co-immobilization of alpha amylase, glucoamylase and pullulanase as combined cross-linked enzyme aggregates (combi-CLEAs): a tri-enzyme biocatalyst with one pot starch hydrolytic activity}, journal = {Bioresource Technology}, volume = {147}, year = {2013}, month = {NOV}, pages = {269-275}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A tri-enzyme biocatalyst {\textquoteleft}{\textquoteleft}combi-CLEAs{\textquoteright}{\textquoteright} with starch hydrolytic activity was prepared from commercially available alpha amylase, glucoamylase and pullulanase preparations by aggregating enzymes with ammonium sulphate followed by cross-linking formed aggregates for 4.5 h with 40 mM glutaraldehyde. The effects of precipitant type and cross-linking were studied and the biocatalyst was characterized. Scanning electron microscopy analysis showed that tri-enzyme biocatalyst was of spherical structure. For one pot starch hydrolytic activity, shift in optimum pH from 6 to 7 and temperature from 65 to 75 degrees C were observed after co-immobilization of enzymes. After one pot starch hydrolysis reaction in batch mode, 100\%, 60\% and 40\% conversions were obtained with combi-CLEAs, separate CLEAs mixture and free enzyme mixture, respectively. Co-immobilization also enhanced the thermal stability of enzymes. Finally, the catalytic activity of enzymes in combi-CLEAs during one pot starch hydrolysis was well maintained up to five cycles without performance changes. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Alpha amylase, Combined cross-linked enzyme aggregates (combi-CLEAs), Glucoamylase, One pot starch hydrolysis, Pullulanase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2013.08.035}, author = {Talekar, Sachin and Pandharbale, Amol and Ladole, Mayur and Nadar, Shamraja and Mulla, Mosin and Japhalekar, Kshitija and Pattankude, Kishori and Arage, Devika} } @article { ISI:000315069400009, title = {Catalytic activity of ZIF-8 in the synthesis of styrene carbonate from CO2 and styrene oxide}, journal = {Catalysis Communications}, volume = {32}, year = {2013}, month = {FEB}, pages = {36-40}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The catalytic activity of ZIF-8 in the synthesis of styrene carbonate from carbon dioxide and styrene oxide is presented. ZIF-8 crystals displayed catalytic activity even at temperatures as low as 50 degrees C, with styrene carbonate yields as high as similar to 54\% at 100 degrees C. In contrast to many prior-art catalysts, solvents or co-catalysts were not required. Pyridine and ammonia were used as probe molecules to estimate the type and density of acid sites in fresh and reused ZIF-8 catalysts. DRIFT spectroscopy of adsorbed pyridine revealed the presence of both Bronsted (B) and Lewis (L) acid sites. The B-sites have nearly vanished in the case of recycled ZIF-8 catalysts. The simultaneous presence of both the acid sites and the nitrogen basic moieties from the imidazole linker in ZIF-8 promoted the adsorption of the CO2 on the solid surface and its further conversion to the cyclic carbonate. The ZIF-8 catalysts could be recycled and reused without significant loss in catalytic activity. Published by Elsevier B.V.
}, keywords = {CO2 conversion, cyclic carbonates, Styrene carbonate, Zeolitic imidazolate frameworks, ZIF-8}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.12.003}, author = {Zhu, Minqi and Srinivas, Darbha and Bhogeswararao, Seemala and Ratnasamy, Paul and Carreon, Moises A.} } @article { ISI:000313230200031, title = {Catalytic and DFT study of selective ethylene oligomerization by nickel(II) oxime-based complexes}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {366}, year = {2013}, month = {JAN}, pages = {238-246}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The reactivity of nickel(II) thiophenealdoxime complex (3) toward oligomerization of ethylene in the presence of an alkylaluminum co-catalyst has been studied. The complex was found to be a selective ethylene dimerization catalyst in the presence of co-catalysts such as methylalumoxane (MAO) and diethylaluminum chloride (DEAC). With DEAC, the productivity was considerably higher than with MAO. Under optimum conditions the productivity reaches 388 kg/mol catalyst/h/bar with DEAC whereas for MAO this value was 119 kg/mol catalyst/h/bar. Complex 3 displays good ethylene conversions of up to a maximum of 90\% with exceptionally high alpha-selectivity for 1-butene (\>99.5\%) amongst C-4 products. Computational studies using density functional theory (DFT) were also carried out to ascertain the decomposition pathway for 3 as well as that for Ni(II) complex of the pyridine ketoxime ligand 2. The results suggest that loss of one of the two bidentate oxime ligands attached to the metal center through reaction with DEAC is likely for both 2 and 3. Further, calculations indicate that the subsequent decomposition step was significantly more probable for 3 than for 2 thus explaining why the pyridine ketoxime ligand bound nickel complex 2 was experimentally found to be more stable than the thiophene aldoxime bound nickel complex 3. Calculations also show that the proton of the -OH group (oxime) plays a major role in the stability of the molecules. This was confirmed experimentally by synthesizing the Ni(II) dichloro complex of Pyridine-2-carbaldehyde O-methyloxime 5 and reacting it with ethylene under similar conditions. 5 was found to be highly active even at low co-catalyst concentrations. (c) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Butene-1, Ethylene dimerization, Ni(II) complex, Thiophene aldoxime}, issn = {1381-1169}, doi = {10.1016/j.molcata.2012.09.029}, author = {Tayade, Kamlesh N. and Mane, Manoj V. and Sen, Suman and Murthy, C. N. and Tembe, Gopal L. and Pillai, S. Muthukumaru and Vanka, Kumar and Mukherjee, Soumen} } @article { ISI:000318296700018, title = {Catalytic dehydration of lactic acid to acrylic acid using calcium hydroxyapatite catalysts}, journal = {Green Chemistry}, volume = {15}, number = {5}, year = {2013}, month = {FEB}, pages = {1211-1217}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A series of calcium hydroxyapatite (HAP) catalysts were synthesised with a Ca/P ratio ranging from 1.3 to 1.89 by a co-precipitation method that involved changing the pH of the calcium and phosphorous precursors. The physicochemical characterization by XRD, SEM, BET surface area and CO2 and NH3-TPD techniques confirmed the hydroxyapatite formation. These HAP catalysts were used for the vapour phase dehydration of lactic acid to acrylic acid. The HAP catalyst with a Ca/P ratio of 1.3 was found to be the most efficient catalyst among the synthesised series, which gave 100\% conversion of lactic acid and 60\% selectivity towards acrylic acid at 375 degrees C when a 50\% (w/w) aqueous solution of lactic acid was used. The higher selectivity towards acrylic acid has been correlated to the increased acidity and reduced basicity of the HAP catalyst with a Ca/P ratio of 1.3 compared to the other HAP catalysts. The catalyst was found to be very stable and no deactivation was observed even after 300 h of reaction time. In situ FTIR studies were performed for understanding the mechanistic aspects and showed the formation of calcium lactate as an intermediate species during the dehydration of lactic acid to acrylic acid.
}, issn = {1463-9262}, doi = {10.1039/c3gc40144h}, author = {Ghantani, Vidhya C. and Lomate, Samadhan T. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000315168800013, title = {Catalytic signal amplification using [Fe-III(biuret-amide)]-mesoporous silica nanoparticles: visual cyanide detection}, journal = {Chemical Communications}, volume = {49}, number = {22}, year = {2013}, month = {MAR}, pages = {2216-2218}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Catalytic signal amplification was used for the colorimetric detection of CN- in aqueous media by using the enzyme catalase in tandem with mesoporous silica nanoparticle based synthetic HRP enzyme mimic Fe-MSNs. Signal amplification up to a maximum of eight fold was observed for the reporter {\textquoteleft}{\textquoteleft}oxidized TMB{\textquoteright}{\textquoteright} with respect to the added CN- ion.
}, issn = {1359-7345}, doi = {10.1039/c3cc38932d}, author = {Panda, Chakadola and Dhar, Basab B. and Malvi, Bharmana and Bhattacharjee, Yudhajit and Sen Gupta, Sayam} } @article {42705, title = {Catalytic transformation of alcohols to carboxylic acid salts and H2 using water as the oxygen atom source}, journal = {Nature Chemistry}, volume = {5}, year = {2013}, month = {FEB}, pages = {122{\textendash}125}, abstract = {
The oxidation of alcohols to carboxylic acids is an important industrial reaction used in the synthesis of bulk and fine chemicals. Most current processes are performed by making use of either stoichiometric amounts of toxic oxidizing agents or the use of pressurized dioxygen. Here, we describe an alternative dehydrogenative pathway effected by water and base with the concomitant generation of hydrogen gas. A homogeneous ruthenium complex catalyses the transformation of primary alcohols to carboxylic acid salts at low catalyst loadings (0.2 mol\%) in basic aqueous solution. A consequence of this finding could be a safer and cleaner process for the synthesis of carboxylic acids and their derivatives at both laboratory and industrial scales.
}, doi = {10.1038/nchem.1536}, author = {Balaraman, Ekambaram and Khaskin, Eugene and Leitus, Gregory and Milstein, David} } @article { ISI:000320976600013, title = {Catalytic upgrading of renewable levulinic acid to ethyl levulinate biodiesel using dodecatungstophosphoric acid supported on desilicated H-ZSM-5 as catalyst}, journal = {Applied Catalysis A-General}, volume = {460}, year = {2013}, month = {JUN}, pages = {90-98}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Levulinic acid (LA) is considered as a renewable platform chemical and can be used for the synthesis of variety of important fuels and chemicals. In particular, its esterification with ethanol produces ethyl levulinate (EL) would be green process, as it can be used as diesel miscible biofuel (DMB), preventing global warming by decreasing atmospheric CO2. This study explores the use of modified H-ZSM-5 by desilication viz.; DH-ZSM-5 and dodecatungstophosphoric acid (DTPA) loaded on DH-ZSM-5 for esterification of LA with ethanol aiming to EL. Different degree of desilication of H-ZSM-5 was performed by using aq. NaOH (0.2-1.5 M) at 338 K for 30 min and then DTPA was loaded on these desilicated H-ZSM-5 (DH-ZSM-5) support. H-ZSM-5, DH-ZSM-5 and DTPA on these DH-ZSM-5 samples were characterized by powder x-ray diffraction (XRD), N-2 adsorption-desorption, pyridine chemisorbed IR spectroscopy, Temperature Programmed Ammonia Desorption (TPAD). The increase in conversion of levulinic acid was observed from 28\% to 94\% with increase of DTPA loading from 0\% to 15\%. The increased LA conversion may be due to increase in total acidity from 43.14\% to 84.31\%. The use of DH-ZSM-5 as support for deposition of DTPA may be reported for the first time. The present work also extended to optimize process parameters such as DTPA loading on DH-ZSM-5, catalyst to LA ratio, LA to ethanol molar ratio, speed of agitation, particle size reaction temperature and catalyst reusability. Kinetic study based on pseudo-homogeneous (P-H) model is also presented. The experimental results follow second order kinetics. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {desilicated H-ZSM-5, DTPA on desilicated H-ZSM-5, Esterification, ethyl levulinate, levulinic acid}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.04.024}, author = {Nandiwale, Kakasaheb Y. and Sonar, Shilpa K. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Deshpande, Shilpa S. and Patil, Vilas S. and Bokade, Vijay V.} } @article { ISI:000320024400001, title = {C-C Bond formation catalyzed by natural gelatin and collagen proteins}, journal = {Beilstein Journal of Organic Chemistry}, volume = {9}, year = {2013}, month = {JUN}, pages = {1111-1118}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {
The activity of gelatin and collagen proteins towards C-C bond formation via Henry (nitroaldol) reaction between aldehydes and nitroalkanes is demonstrated for the first time. Among other variables, protein source, physical state and chemical modification influence product yield and kinetics, affording the nitroaldol products in both aqueous and organic media under mild conditions. Significantly, the scale-up of the process between 4-nitrobenzaldehyde and nitromethane is successfully achieved at 1 g scale and in good yield. A comparative kinetic study with other biocatalysts shows an increase of the first-order rate constant in the order chitosan \< gelatin \< bovine serum albumin (BSA) \< collagen. The results of this study indicate that simple edible gelatin can promote C-C bond forming reactions under physiological conditions, which may have important implications from a metabolic perspective.
}, keywords = {biocatalysis, carbon-carbon bond formation, gelatin, Henry reaction, protein}, issn = {1860-5397}, doi = {10.3762/bjoc.9.123}, author = {Kuehbeck, Dennis and Dhar, Basab Bijayi and Schoen, Eva-Maria and Cativiela, Carlos and Gotor-Fernandez, Vicente and Diaz, David Diaz} } @article { ISI:000324848000147, title = {Characterisation and determination of in vitro antioxidant potential of betalains from talinum triangulare (Jacq.) willd.}, journal = {Food Chemistry}, volume = {141}, number = {4}, year = {2013}, month = {DEC}, pages = {4382-4390}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Talinum triangulare (Jacq.) Willd is an erect, succulent, perennial herb belonging to the family Portulacaceae. Under extreme environmental conditions, the plant produces betalain pigments which get accumulated in the stem region. Hence, in the present study, the betaxanthin and betacyanin patterns from different samples of T. triangulare have been investigated by applying high-performance liquid chromatography photo-diode array detection (HPLC-PDA) coupled with positive ion electro-spray mass spectrometry. Two betacyanins and two betaxanthins were identified in aqueous methanolic extract of flower, stem and leaf. Betanin, isobetanin, immonium conjugates of betalamic acid with dopamine and tyrosine were elucidated. The total betalain content was estimated by photometric analysis. In vitro antioxidant activity for the betalain extract determined by various methods revealed potent scavenging ability. The current work may possibly be considered beneficial in utilisation of the plant T. triangulare as a natural colourant in food and beverage industries. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Antioxidant, Betalains, HPLC-MS, Portulacaceae, Waterleaf}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2013.06.108}, author = {Swarna, J. and Lokeswari, T. S. and Smita, M. and Ravindhran, R.} } @article { ISI:000328395400001, title = {Characterization of a chemostable serine alkaline protease from Periplaneta americana}, journal = {BMC Biochemistry}, volume = {14}, year = {2013}, month = {NOV}, pages = {32}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {
Background: Proteases are important enzymes involved in numerous essential physiological processes and hold a strong potential for industrial applications. The proteolytic activity of insects{\textquoteright} gut is endowed by many isoforms with diverse properties and specificities. Thus, insect proteases can act as a tool in industrial processes. Results: In the present study, purification and properties of a serine alkaline protease from Periplaneta americana and its potential application as an additive in various bio-formulations are reported. The enzyme was purified near to homogeneity by using acetone precipitation and Sephadex G-100 gel filtration chromatography. Enzyme activity was increased up to 4.2 fold after gel filtration chromatography. The purified enzyme appeared as single protein-band with a molecular mass of similar to 27.8 kDa in SDS-PAGE. The optimum pH and temperature for the proteolytic activity for purified protein were found around pH 8.0 and 60 degrees C respectively. Complete inhibition of the purified enzyme by phenylmethylsulfonyl fluoride confirmed that the protease was of serine-type. The purified enzyme revealed high stability and compatibility towards detergents, oxidizing, reducing, and bleaching agents. In addition, enzyme also showed stability towards organic solvents and commercial detergents. Conclusion: Several important properties of a serine protease from P. Americana were revealed. Moreover, insects can serve as excellent and alternative source of industrially important proteases with unique properties, which can be utilized as additives in detergents, stain removers and other bio-formulations. Properties of the P. americana protease accounted in the present investigation can be exploited further in various industrial processes. As an industrial prospective, identification of enzymes with varying essential properties from different insect species might be good approach and bioresource.
}, keywords = {Chemostability, Industrial catalyst, Insect proteases, Periplaneta americana, Serine alkaline protease}, issn = {1471-2091}, doi = {10.1186/1471-2091-14-32}, author = {Sanatan, Prashant T. and Lomate, Purushottam R. and Giri, Ashok P. and Hivrale, Vandana K.} } @article { ISI:000326122800047, title = {Characterization of conformation and interaction of gene delivery vector polyethylenimine with phospholipid bilayer at different protonation state}, journal = {Biomacromolecules}, volume = {14}, number = {10}, year = {2013}, month = {OCT}, pages = {3759-3768}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Polyethylenimine (PEI) is a pH sensitive polymer possessing stretched and coiled conformation at low and high pH, respectively. It is an efficient gene delivery agent. Thus, the interaction of PEI with the biomembrane is very crucial to understand the gene delivery mechanism. In this report, we have investigated the structural properties of PEI and bilayer due to the interaction of PEI with lipid molecules. PEI has coil structure at high pH while at low pH it is elongated. The neutral PEI chain predominately settles itself at the bilayer water interface. We do not find any disruption or pore formation on the bilayer due to interaction of neutral PEI chain. PEI at low pH gets elongated due to electrostatic interaction between charges of the protonated sites. This protonated PEI chain interacts with bilayer membrane, which leads to formation of water/ion channel through the membrane. We have analyzed the structure of the channel and water dynamics along the channel.
}, issn = {1525-7797}, doi = {10.1021/bm4011408}, author = {Choudhury, Chandan Kumar and Kumar, Abhinaw and Roy, Sudip} } @article { ISI:000313077100009, title = {Characterization of the structures and dynamics of phosphoric acid doped benzimidazole mixtures: a molecular dynamics study}, journal = {Journal of Molecular Modeling}, volume = {19}, number = {1}, year = {2013}, month = {JAN}, pages = {109-118}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Benzimidazole-based polymer membranes like poly(2,5-benzimidazole) (ABPBI) doped with phosphoric acid (PA) are electrolytes that exhibit high proton conductivity in fuel cells at elevated temperatures. The benzimidazole (BI) moiety is an important constituent of these membranes, so the present work was performed in order to achieve a molecular understanding of the BI-PA interactions in the presence of varying levels of the PA dopant, using classical molecular dynamics (MD) simulations. The various hydrogen-bonding interactions, as characterized based on structural properties and hydrogen-bond lifetime calculations, show that both BI and PA molecules exhibit dual proton-acceptor/donor functionality. An examination of diffusion coefficients showed that the diffusion of BI decreases with increasing PA uptake, whereas the diffusion of PA slightly increases. The hydrogen-bond lifetime calculations pointed to the existence of competitive hydrogen bonding between various sites in BI and PA.
}, keywords = {Diffusion coefficient, Hydrogen bond, molecular dynamics, Radial distribution functions}, issn = {1610-2940}, doi = {10.1007/s00894-012-1519-8}, author = {More, Minal and Pahari, Swagata and Roy, Sudip and Venkatnathan, Arun} } @article { ISI:000325836600014, title = {Characterization of three novel isoprenyl diphosphate synthases from the terpenoid rich mango fruit}, journal = {Plant Physiology and Biochemistry}, volume = {71}, year = {2013}, month = {OCT}, pages = {121-131}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
Mango (cv. Alphonso) is popular due to its highly attractive, terpenoid-rich flavor. Although Alphonso is clonally propagated, its fruit-flavor composition varies when plants are grown in different geo-climatic zones. Isoprenyl diphosphate synthases catalyze important branch-point reactions in terpenoid biosynthesis, providing precursors for common terpenoids such as volatile terpenes, sterols and carotenoids. Two geranyl diphosphate synthases and a farnesyl diphosphate synthase were isolated from Alphonso fruits, cloned for recombinant expression and found to produce the respective products. Although, one of the geranyl diphosphate synthases showed high sequence similarity to the geranylgeranyl diphosphate synthases, it did not exhibit geranylgeranyl diphosphate synthesizing activity. When modeled, this geranyl diphosphate synthase and farnesyl diphosphate synthase structures were found to be homologous with the reference structures, having all the catalytic side chains appropriately oriented. The optimum temperature for both the geranyl diphosphate synthases was 40 degrees C and that for farnesyl diphosphate synthase was 25 degrees C. This finding correlated well with the dominance of monoterpenes in comparison to sesquiterpenes in the fruits of Alphonso mango in which the mesocarp temperature is higher during ripening than development. The absence of activity of these enzymes with the divalent metal ion other than Mg2+ indicated their adaptation to the Mg2+ rich mesocarp. The typical expression pattern of these genes through the ripening stages of fruits from different cultivation localities depicting the highest transcript levels of these genes in the stage preceding the maximum terpene accumulation indicated the involvement of these genes in the biosynthesis of volatile terpenes. (C) 2013 Elsevier Masson SAS. All rights reserved.
}, keywords = {Alphonso, Flavor variation, Fruit, Isoprenyl diphosphate synthase, Mangifera indica, Terpene volatiles}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2013.07.006}, author = {Kulkarni, Ram and Pandit, Sagar and Chidley, Hemangi G. and Nagel, Raimund and Schmidt, Axel and Gershenzon, Jonathan and Pujari, Keshav and Giri, Ashok P. and Gupta, Vidya} } @article { ISI:000318362400053, title = {Charge storage and electron transport properties of gold nanoparticles decorating a urethane-methacrylate comb polymer network}, journal = {Nanoscale}, volume = {5}, number = {10}, year = {2013}, month = {MAR}, pages = {4404-4411}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We propose enhanced charge storage capacity of nanoparticles based polymer films. A flat band voltage window varying from 5-7 V is obtained leading to a trapped charge density of the order of 10(13) cm(-2). These results vary for two distinct morphologies obtained due to decoration of a urethane-methacrylate comb polymer (UMCP) network by gold nanoparticles (AuNPs). Films have been further investigated for morphology, optical, charge storage, and electron transport properties using techniques like scanning electron microscopy (SEM), atomic force microscopy (AFM), absorption spectroscopy (UV-Vis), scanning tunneling microscopy/spectroscopy (STM/STS) and capacitance versus voltage (C-V) measurements. SEM and AFM confirm either the deposition of AuNPs inside the UMCP network or the formation of ring like structures depending on the deposition sequence. STS measurements performed on both films are compared with bare UMCP and AuNPs films. Current versus voltage (I-V) characteristics so obtained are discussed in the light of electron transport mechanisms in such materials.
}, issn = {2040-3364}, doi = {10.1039/c3nr00330b}, author = {Patil, Sumati and Datar, Suwarna and Rekha, N. and Asha, S. K. and Dharmadhikari, C. V.} } @article { ISI:000318042800015, title = {Chemical looping reforming of ethanol for syngas generation: a theoretical investigation}, journal = {International Journal of Energy Research}, volume = {37}, number = {6}, year = {2013}, month = {MAY}, pages = {645-656}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Chemical looping reforming (CLR) is a novel technology that can be used for reforming of cheaply available abundant biofuel like ethanol for the production of hydrogen/syngas for fuel cells. A systematic thermodynamic study for the CLR process using selected oxygen carriers was done to analyze the products and energy requirements of the CLR process in the temperature range of 5001200 degrees C at 1bar pressure for ethanol. The results showed favorable conditions for syngas manufacture from this process. Fe2O3 was found to be the best performing oxygen carrier followed by calcium and sodium sulfates, while Mn oxides were the least preferred oxygen carriers for CLR of ethanol process. The optimum process temperature was found to be 1000 degrees C. The actual CLR-ethanol process shows exothermicity against the theoretical endothermic partial oxidation of ethanol. The results obtained in this theoretical study can pave the way for experimental programs for syngas generation for SOFC-type fuel cells. Similar studies can be undertaken for other fuels for fuel processor development by CLR process. Copyright (c) 2012 John Wiley \& Sons, Ltd.
}, keywords = {chemical looping reforming, ethanol to syngas, Fuel Processor, Gibbs minimization, oxygen carriers}, issn = {0363-907X}, doi = {10.1002/er.1958}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D. and Bharadwaj, K. V.} } @article { ISI:000314882600028, title = {Chemical modification of ethyl cellulose-based highly porous membrane for the purification of immunoglobulin G}, journal = {Applied Biochemistry and Biotechnology}, volume = {169}, number = {3}, year = {2013}, month = {FEB}, pages = {1026-1038}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
The chemical modification of developed ethyl cellulose-based membrane was carried out to make it suitable for bioseparation. The different reagents were used for the modification of membrane to couple protein A (PA) to study the purification of immunoglobulin G (IgG) from blood. The chemical modification was carried out using relatively simple and mild reaction conditions. The attenuated total reflectance Fourier transform infrared analysis of chemically modified membrane showed new peak at 1,596.06 and 1,716.49 cm(-1). The scanning electron microscopy of PA-coupled membrane, which was used for IgG purification showed open pores and 950 +/- 21.5 LMH (L m(-2) h(-1)) operational flux at 0.5-bar out pressure. The flux of unmodified membrane was 1,746 +/- 18.5 LMH at 0.5-bar out pressure. The equilibrium adsorption concentration (318.5 +/- 5.9 mu g cm(-2)) was obtained at 3 h. The adsorption character of PA-coupled membrane was consistent with the Langmuir adsorption model and the non-specific binding was 67.08 +/- 1.3 mu g cm(-2). The sodium dodecyl sulfate polyacrylamide gel electrophoresis analysis showed similar purification pattern for purified IgG from human serum and commercial preparation of IgG. All the results have suggested a high potential of PA-coupled ethyl cellulose-based membrane for large-scale purification of IgG.
}, keywords = {Affinity bioseparation, Ethyl cellulose, Glutaraldehyde, Immunoglobulin G, Polyethylenimine, Protein A}, issn = {0273-2289}, doi = {10.1007/s12010-012-0085-y}, author = {Adikane, H. V. and Iyer, G. J.} } @article { ISI:000326056600165, title = {Chemically conjugated sophorolipids on CdTe QDs: a biocompatible photoluminescence nanocomposite for theranostic applications}, journal = {RSC Advances}, volume = {3}, number = {44}, year = {2013}, month = {SEP}, pages = {22319-22325}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Functional nontoxic cadmium telluride (CdTe) quantum dots (QDs) have been synthesized using a natural functional glycolipid belonging to the family of sophorolipids (SL) as a surface-modifying agent. These SLs with open acidic form are highly suitable for QDs stabilization, are readily obtained by a fermentation process of the yeast Candida bombicola (polymorph Starmerella bombicola) in large amounts. In this work chemically stable, water soluble, and photoluminescent CdTe QDs were successfully conjugated to sophorolipids via a cross-linking reaction. The formation of SLs conjugated CdTe QDs was confirmed using different analytical techniques X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Transmission Electron Microscopy (TEM), Electron Diffraction (ED), Atomic Force Microscopy (AFM), Dynamic Light Scattering (DLS), and Photoluminescence (PL). It was shown that after being conjugated with SL the SL-CdTe QDs becomes biocompatible, still maintaining its water solubility and photoluminescence properties. The final SL coated photoluminescent CdTe QDs represent interesting biocompatible materials potentially useful for biomedical applications.
}, issn = {2046-2069}, doi = {10.1039/c3ra44535f}, author = {Singh, Pooja and Joshi, Kasturi and Guin, Debanjan and Prabhune, Asmita} } @article { ISI:000328099400036, title = {Chemically stable multilayered covalent organic nanosheets from covalent organic frameworks via mechanical delamination}, journal = {Journal of the American Chemical Society}, volume = {135}, number = {47}, year = {2013}, month = {NOV}, pages = {17853-17861}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A series of five thermally and chemically stable functionalized covalent organic frameworks (COFs), namely, TpPa-NO2, TpPa-F-4, TpBD-(NO2)(2), TpBD-Me-2, and TpBD-(OMe)(2) were synthesized by employing the solvothermal aldehyde-amine Schiff base condensation reaction. In order to complete the series, previously reported TpPa-1, TpPa-2, and TpBD have also been synthesized, and altogether, eight COFs were fully characterized through powder X-ray diffraction (PXRD), Fourier transform IR (FT-IR) spectroscopy, C-13 solid-state NMR spectroscopy, and thermogravimetric analysis. These COFs are crystalline, permanently porous, and stable in boiling water, acid (9 N HCl), and base (3 N NaOH). The. synthesized COFs (all eight) were successfully delaminated using a simple, safe, and environmentally friendly mechanical grinding route to transform into covalent organic nanosheets (CONs) and were well characterized via transmission electron microscopy and atomic force microscopy. Further PXRD and FT-IR analyses confirm that these CONs retain their structural integrity throughout the delamination process and also remain stable in aqueous, acidic, and basic media like the parent COFs. These exfoliated CONs have graphene-like layered morphology (delaminated layers), unlike the COFs from which they were synthesized.
}, issn = {0002-7863}, doi = {10.1021/ja408121p}, author = {Chandra, Suman and Kandambeth, Sharath and Biswal, Bishnu P. and Lukose, Binit and Kunjir, Shrikant M. and Chaudhary, Minakshi V. and BabaRao, Ravichandar and Heine, Thomas and Banerjee, Rahul} } @article { ISI:000312940700015, title = {Chemistry in India: unlocking the potential}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {1}, year = {2013}, month = {DEC}, pages = {114-117}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, issn = {1433-7851}, doi = {10.1002/anie.201206960}, author = {Arunan, Elangannan and Brakaspathy, Ramasamy and Desiraju, Gautam R. and Sivaram, Swaminathan} } @article { ISI:000315614700038, title = {Chiral (VO)-O-IV-Sal-Indanol complex over modified SBA-15: an efficient, reusable enantioselective catalyst for asymmetric sulfoxidation reaction}, journal = {Microporous and Mesoporous Materials}, volume = {170}, year = {2013}, month = {APR}, pages = {331-339}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A reusable, mesoporous, heterogeneous vanadium complex, (VO)-O-IV-Sal-Ind-SBA-15 has been synthesized first time from (1R,2S)-(+)-Cis-1-amino-2-indanol for enantioselective sulfoxidation reaction. The physico-chemical properties of the functionalized catalyst were analyzed by a series of characterization techniques like XRD, N-2 sorption measurement isotherm, TEM, FT-IR, XPS, EPR, DRS UV-Visible, ICP-OES and solid \& liquid state C-13, Si-29 and V-51 NMR spectroscopy. Powder X-ray diffraction patterns, TEM and N-2 physisorption analysis confirmed the retention of mesoporous structure after various modifications. Solid-state NMR (C-13 CP-MAS NMR, Si-29 MAS NMR) and FT-IR analysis certified the integrity of organo-catalyst residing inside the pore channels of the mesoporous support. Further, XPS, EPR, V-51 NMR and DRS UV-Visible analyses help to find out the oxidation state and coordination environment of vanadium in (VO)-O-IV-Sal-Ind-SBA-15. Catalytic evaluation in asymmetric sulfoxidation reaction of sulfides indicated that VOIV-Sal-Ind-SBA-15 exhibited higher catalytic activity, stability, reusability and comparable enantioselectivity than SBA-15, PrNH2-SBA-15, neat (VO)-O-IV-Sal-Indanol complex and without catalyst. The effect of different catalysts, temperature, solvents and substrates on sulfoxidation reaction were examined in order to optimize the conversion and enantioselectivity of thioanisoles to sulfoxides. Crown Copyright (C) 2012 Published by Elsevier Inc. All rights reserved.
}, keywords = {(1R, 2S)-(+)-Cis-1-amino-2-indanol, Asymmetric sulfoxidation, Heterogeneous vanadium complex, Mesoporous, Thioanisole}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2012.12.014}, author = {Lazar, Anish and Sharma, Priti and Singh, A. P.} } @article { ISI:000317204600005, title = {Chitin synthase inhibitors as antifungal agents}, journal = {Mini-Reviews in Medicinal Chemistry}, volume = {13}, number = {2}, year = {2013}, month = {FEB}, pages = {222-236}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Increased risk of fungal diseases in immunocompromised patients, emerging fungal pathogens, limited repertoire of antifungal drugs and resistance development against the drugs demands for development of new and effective antifungal agents. With greater knowledge of fungal metabolism efforts are being made to inhibit specific enzymes involved in different biochemical pathways for the development of antifungal drugs. Chitin synthase is one such promising target as it is absent in plants and mammals. Nikkomycin Z, a chitin synthase inhibitor is under clinical development. Chitin synthesis in fungi, chitin synthase as a target for antifungal agent development, different chitin synthase inhibitors isolated from natural sources, randomly synthesized and modified from nikkomycin and polyoxin are discussed in this review.
}, keywords = {Antifungal agents, Chitin synthase, Chitin synthase inhibitors, Nikkomycin, Peptidyl nucleoside antibiotics, Polyoxin}, issn = {1389-5575}, author = {Chaudhary, Preeti M. and Tupe, Santosh G. and Deshpande, Mukund V.} } @article { ISI:000322949600001, title = {Chitinolytic enzymes: an appraisal as a product of commercial potential}, journal = {Biotechnology Progress}, volume = {29}, number = {4}, year = {2013}, month = {JUL}, pages = {833-846}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Chitin, its deacetylated form, chitosan and chitinolytic enzymes viz. endo-chitinase, N-acetylglucosaminidase, chitosanase, chitin deacetylase (CDA) are gaining importance for their biotechnological applications. Presently, chitin degrading enzymes constitute high-cost low-volume products in human health care and associated research. Indeed chitinases and CDA-chitosanase complex possesss tremendous potential in agriculture to control plant pathogenic fungi and insects. The success in exploring chitinases especially for agriculture, i.e. as a high-volume low-cost product, depends on the availability of highly active preparations with a reasonable cost. Therefore, a reconsideration in terms of understanding the roles of chitinolytic enzymes in applications, e.g. host-pathogen interaction for biocontrol, different mechanisms of chitin degradation, and identification of new enzymes with varying specificities, may make them more useful in a variety of commercial processes in the near future. The possible issues and challenges encountered in the translation of proof of concept into a commercial product will be appraised in this review. (c) 2013 American Institute of Chemical Engineers Biotechnol. Prog., 29:833-846, 2013
}, keywords = {chitin deacetylase, chitinase, chitosanase, high-cost low-volume product, high-volume low-cost product}, issn = {8756-7938}, doi = {10.1002/btpr.1732}, author = {Chavan, S. B. and Deshpande, Mukund V.} } @article { ISI:000313165500057, title = {Cinnamate 4-hydroxylase (C4H) genes from leucaena leucocephala: a pulp yielding leguminous tree}, journal = {Molecular Biology Reports}, volume = {40}, number = {2}, year = {2013}, month = {FEB}, pages = {1265-1274}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Leucaena leucocephala is a leguminous tree species accounting for one-fourth of raw material supplied to paper and pulp industry in India. Cinnamate 4-Hydroxylase (C4H, EC 1.14.13.11) is the second gene of phenylpropanoid pathway and a member of cytochrome P450 family. There is currently intense interest to alter or modify lignin content of L. leucocephala. Three highly similar C4H alleles of LlC4H1 gene were isolated and characterized. The alleles shared more than 98 \% sequence identity at amino acid level to each other. Binding of partial promoter of another C4H gene LlC4H2, to varying amounts of crude nuclear proteins isolated from leaf and stem tissues of L. leucocephala formed two loose and one strong complex, respectively, suggesting that the abundance of proteins that bind with the partial C4H promoter is higher in stem tissue than in leaf tissue. Quantitative Real Time PCR study suggested that among tissues of same age, root tissues had highest level of C4H transcripts. Maximum transcript level was observed in 30 day old root tissue. Among the tissues investigated, C4H activity was highest in 60 day old root tissues. Tissue specific quantitative comparison of lignin from developing seedling stage to 1 year old tree stage indicated that Klason lignin increased in tissues with age.
}, keywords = {Cinnamate 4-Hydroxylase (C4H), Leucaena leucocephala, lignin, Phenylpropanoid}, issn = {0301-4851}, doi = {10.1007/s11033-012-2169-8}, author = {Kumar, Santosh and Omer, Sumita and Patel, Krunal and Khan, Bashir Mohammad} } @article { ISI:000325204200090, title = {Cinnamic acid derivatives via heck reaction in an aqueous-biphasic catalytic system with easy catalyst-product separation}, journal = {Asian Journal of Chemistry}, volume = {25}, number = {15, A}, year = {2013}, month = {NOV}, pages = {8633-8637}, publisher = {ASIAN JOURNAL OF CHEMISTRY}, address = {11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIA}, abstract = {
A true biphasic [aqueous-organic] system for the coupling of water soluble sodium acrylate with different aryl halides for the synthesis of cinnamic acid derivatives has been developed, employing palladium catalysts that is soluble in organic phase. Amongst them, palladacycle was found to be stable in presence of water and could be recycled for four times with no loss in the activity. Such a system facilitates easy recycle of catalyst and also the removal of the salts from the catalyst phase, ensuring high activity with respect to cumulative turn over number (TON) and turn over frequency (TOF). The reaction was facilitated by organic as well as inorganic bases. The efficiency of the catalyst, role of organic/inorganic bases on the activity is reported.
}, keywords = {Biphasic catalysis, Heck reaction, Palladacycle, Separation}, issn = {0970-7077}, author = {Jagtap, Sangeeta Vijay and Deshpande, R. M.} } @article { ISI:000324656500008, title = {Clay entrapped Cu(OH)(x) as an efficient heterogeneous catalyst for ipso-hydroxylation of arylboronic acids}, journal = {Applied Catalysis A-General}, volume = {466}, year = {2013}, month = {SEP}, pages = {60-67}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A remarkably active, selective and stable montmorilonite-KSF entrapped Cu(OH)(x) catalyst, has been prepared for the ipso-hydroxylation of arylboronic acids under ambient conditions without requirement of any ligand or base. This catalyst shows excellent reusability without leaching and any significant loss in catalytic activity. The catalyst was characterized using, XRD, SEM, TPR, IR, XPS and BET surface area measurement techniques. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {clay, Copper, heterogeneous catalysis, Phenols, Water chemistry}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.06.051}, author = {Dar, Bashir Ahmad and Bhatti, Prince and Singh, A. P. and Lazar, Anish and Sharma, Parduman R. and Sharma, Meena and Singh, Baldev} } @article {43313, title = {Cleavable and removable polymer thermosets for organic field effect transistor packaging}, journal = {RSC Advances}, volume = {3}, year = {2013}, month = {SEP}, pages = {22591-22596}, abstract = {Recent years have witnessed tremendous progress in the design and synthesis of electroactive materials for the fabrication of organic electronic devices. However, very little research effort has been devoted to developing organic packaging materials, which are crucial for the efficient functioning of the devices. Polymer thermosets (PTs) are extensively used for the packaging of microelectronic and optoelectronic devices. Although PTs are effective in providing mechanical stability and environmental protection to devices, the removal of PTs without destroying the underlying surface is cumbersome. Facile removal of PTs is essential to reuse the expensive substrates. Herein, we report the preparation of a thermoset using an aliphatic disulfide containing cross-linker, cystamine. By varying the cross-linker concentration, the mechanical property of the thermoset was varied from ductile to brittle. The ductile thermoset was coated on metal, semiconductor and flexible substrates. The thermosets were then cleaved using a biomolecule in neutral pH. We have demonstrated that the cleavage and removal of thermosets don{\textquoteright}t affect the surface properties of the underlying substrates. Furthermore, the thermosets were coated on top of organic field effect transistors to provide environmental protection. The thermoset coated devices showed a charge carrier mobility of 5.3 x 10(-3) cm(2) V-1 s(-1). Then, the thermoset was cleaved and removed, and the substrate was reused for the fabrication of organic field effect transistors with unchanged device efficiencies.}, doi = {10.1039/c3ra43320j}, author = {Arulkashmir, Arulraj and Bhosale, Manik E. and Krishnamoorthy, Kothandam} } @article { ISI:000324265700009, title = {Cloning and sequence analysis of three variants of the gene encoding alkaline xylanase C from the alkaliphilic bacillus sp (NCL 87-6-10)}, journal = {Biochemical Genetics}, volume = {51}, number = {9-10}, year = {2013}, month = {OCT}, pages = {737-749}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Alkaline xylanase C from the alkaliphilic Bacillus sp. (NCL 87-6-10) has a low molecular weight and alkaline pI and is cellulase-free, properties compatible with its use in the prebleaching of pulp. We report here the cloning and sequence analysis of three variants of the gene encoding xylanase C; xyl C1, xyl C2, and xyl C3. In phylogenetic analysis, the three xylanase C variants clustered into a single group along with other reported alkaline xylanases. Residues contributing to the alkaline pH were present in all three variants. DNA and protein sequence comparison of these variants with other reported alkaline xylanases revealed silent mutations, some of which are due to codon preference in the respective organisms. The recombinant Xyl C1 that was successfully expressed in E. coli BL21 (DE3) had properties similar to the native enzyme.
}, keywords = {Alkaline xylanase C, Alkaliphilic Bacillus sp (NCL 87-6-10), Cloning, E. coli BL21 (DE3) expression, Sequence analysis}, issn = {0006-2928}, doi = {10.1007/s10528-013-9603-z}, author = {Sharma, Poonam and Rele, Meenakshi V. and Kumar, Lalitha Sunil} } @article { ISI:000322512300025, title = {Cloning, overexpression, crystallization and preliminary X-ray crystallographic analysis of a slow-processing mutant of penicillin G acylase from Kluyvera citrophila}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {69}, number = {8}, year = {2013}, month = {AUG}, pages = {925-929}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
{Kluyvera citrophila penicillin G acylase (KcPGA) has recently attracted increased attention relative to the well studied and commonly used Escherichia coli PGA (EcPGA) because KcPGA is more resilient to harsh conditions and is easier to immobilize for the industrial hydrolysis of natural penicillins to generate the 6-aminopenicillin (6-APA) nucleus, which is the starting material for semi-synthetic antibiotic production. Like other penicillin acylases, KcPGA is synthesized as a single-chain inactive pro-PGA, which upon autocatalytic processing becomes an active heterodimer of alpha and beta chains. Here, the cloning of the pac gene encoding KcPGA and the preparation of a slow-processing mutant precursor are reported. The purification, crystallization and preliminary X-ray analysis of crystals of this precursor protein are described. The protein crystallized in two different space groups, P1, with unit-cell parameters a = 54.0
}, issn = {1744-3091}, doi = {10.1107/S174430911301943X}, author = {Varshney, Nishant Kumar and Ramasamy, Sureshkumar and Brannigan, James A. and Wilkinson, Anthony J. and Suresh, C. G.} } @article {42494, title = {CN? specific turn-on phosphorescent probe with probable application for enzymatic assay and as an imaging reagent}, journal = {Chemical Communications}, volume = {49}, year = {2013}, month = {OCT}, pages = {255-257}, abstract = {
A new {\textquotedblleft}turn-on{\textquotedblright} luminescence probe for imaging the uptake of 0.2 ppm inorganic CN- in live HeLa cells as well as for probing the CN- generation through an enzymatic process in a virtual aqueous medium at appropriate pH.
}, doi = {10.1039/C2CC37243F}, author = {Reddy, Upendar G. and Das, Priyadip and Saha, Sukdeb and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article {42743, title = {Cobalt-catalyzed C{\textendash}H bond functionalizations with aryl and alkyl chlorides}, journal = {Chemistry - A European Journal}, volume = {19}, year = {2013}, month = {AUG}, pages = {10605{\textendash}10610}, abstract = {
Inexpensive cobalt catalysts derived from N-heterocylic carbenes (NHC) allowed efficient catalytic C[BOND]H bond arylations on heteroaryl-substituted arenes with widely available aryl chlorides, which set the stage for the preparation of sterically hindered tri-ortho-substituted biaryls. Likewise, challenging direct alkylations with β-hydrogen-containing primary and even secondary alkyl chlorides proceeded on pyridyl- and pyrimidyl-substituted arenes and heteroarenes. The cobalt-catalyzed C[BOND]H bond functionalizations occurred efficiently at ambient reaction temperature with excellent levels of site-selectivities and ample scope. Mechanistic studies highlighted that electron-deficient aryl chlorides reacted preferentially, while the arenes kinetic C[BOND]H bond acidity was found to largely govern their reactivity.
}, doi = {10.1002/chem.201301409}, author = {Punji, Benudhar and Song, Weifeng and Shevchenko, Grigory A. and Ackermann, Lutz} } @article { ISI:000313651700018, title = {Combinatorial approach of statistical optimization and mutagenesis for improved production of acidic phytase by Aspergillus niger NCIM 563 under submerged fermentation condition}, journal = {Applied Microbiology and Biotechnology}, volume = {97}, number = {2}, year = {2013}, month = {JAN}, pages = {673-679}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Combination of statistical optimization and mutagenesis to isolate hypersecretory strains is studied to maximize phytase production from Aspergillus niger NCIM 563 under submerged fermentation. The overall results obtained show a remarkable 5.98-fold improvement in phytase production rates when compared to that using basal medium. Optimization of culture conditions from parent strain is studied first by the Plackett-Burman technique to evaluate the effects of 11 variables for phytase production. The results showed that glucose, MgSO4, KCl, incubation period, and MnSO4 are the most significant variables affecting enzyme production. Further optimization in these variables, using a central composite design technique, resulted in 3.74-fold increase in the yield of phytase production to 254,500 U/l when compared with the activity observed with basal media (68,000 U/l) in shake flask. Our experiments show that the phytase from A. niger NCIM 563 exhibits desirable activity in simulated gastric fluid conditions with low pH and also improved thermostability when compared to commercial phytase. The improved yield demonstrates the potential applicability of phytase enzyme as a source of phytase supplement for phosphorus nutrition and environmental protection in animal feed industry. Physical and chemical mutagenesis experiments were carried out in parallel to isolate hypersecretory mutants that could possibly further enhance the enzyme production. Using optimized media conditions of the parent strain, our results show that mutant strain A. niger NCIM 1359 increased the phytase activity by another 1.6-fold to 407,200 U/l.
}, keywords = {Animal feed, Aspergillus niger, Mutagenesis, Phytase, Statistical optimization}, issn = {0175-7598}, doi = {10.1007/s00253-012-3965-8}, author = {Bhavsar, Kavita P. and Gujar, P. and Shah, P. and Kumar, V. Ravi and Khire, Jayant Malhar} } @article { ISI:000314792700017, title = {Commercializing technologies from universities and research institutes in India: some insights from the US experience}, journal = {Current Science}, volume = {104}, number = {2}, year = {2013}, month = {JAN}, pages = {183-189}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Translating research done in universities and research institutes to products and services in the market takes considerable and sustained effort. Dedicated technology transfer offices (TTOs) and supporting systems are required to achieve this. Starting from attracting the right people, devising flexible models to work with varioius commercial partners (like large and small companies, startups), bringing in external funding to further the technology goals, TTOs can perform a crucial role in commercializing academic technologies. Various strategies followed by TTOs in the US universities are analysed and suggestions to improve the technology transfer process in the Indian context are presented.
}, keywords = {Commercializing technologies, research institutes, technology transfer offices, universities}, issn = {0011-3891}, author = {Nandagopal, Magesh} } @article {42550, title = {Comparison of methods for identifying periodically varying genes}, journal = {International Journal of Bioinformatics Research and Applications}, volume = {9}, year = {2013}, month = {SEP}, pages = {53-70}, doi = {DOI: 10.1504/IJBRA.2013.050653}, author = {Vijayan, V. and Deshpande, P. and Gadgil, Chetan J. and Gadgil, Mugdha} } @article { ISI:000319229900002, title = {Compensatory proteolytic responses to dietary proteinase inhibitors from Albizia lebbeck seeds in the helicoverpa armigera larvae}, journal = {Arthropod-Plant Interactions}, volume = {7}, number = {3}, year = {2013}, month = {JUN}, pages = {259-266}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Plant proteinase inhibitors (PIs) have been shown to reduce the growth rates in larvae of numerous insect species. On the other hand, insects can also regulate their proteinases against plant PIs. In the present study, we report the compensatory activities of Helicoverpa armigera (Hubner) (Lepidoptera: Noctuidae) gut proteinases against the PIs of Albizia lebbeck seeds. Total of ten proteinase inhibitor bands were detected in the seed extract of A. lebbeck. Bioassays were conducted by feeding H. armigera larvae on diet containing partially purified PIs from A. lebbeck seeds. Results show that larval growth and survival was significantly reduced by A. lebbeck PIs. We found that higher activity H. armigera gut proteinase (HGP) isoforms observed in the midgut of control larvae were inhibited in the midgut of larvae fed on test diet. Some HGP isoforms were induced in the larvae fed on PI containing test diet; however, these isoforms showed lower activity in the larvae fed on control diet. Aminopeptidase activities were significantly increased in the midgut of larvae fed on test diet. A population of susceptible and resistant enzymes was observed in the midgut of H. armigera, when fed on diet containing PIs from A. lebbeck seeds. Our initial observations indicate that H. armigera can regulate its digestive proteinase activity against non-host plant PIs, too. It is important to study the exact biochemical and molecular mechanisms underlying this phenomenon in order to develop PI-based insect control strategies.
}, keywords = {Albizia lebbeck, Helicoverpa armigera, Midgut proteinases, Proteinase inhibitors, regulation}, issn = {1872-8855}, doi = {10.1007/s11829-012-9240-1}, author = {Hivrale, Vandana K. and Lomate, Purushottam R. and Basaiyye, Shriniwas S. and Kalve, Neeta D.} } @article { ISI:000316074305086, title = {Competition between adsorption and intrinsic collapse of full-length a beta 1-42 on the surface of a single-walled carbon nanotube: insights from molecular dynamics simulations}, journal = {Biophysical Journal}, volume = {104}, number = {2, 1}, year = {2013}, note = {57th Annual Meeting of the Biophysical-Society, Philadelphia, PA, FEB 02-06, 2013}, month = {JAN}, pages = {508A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Sengupta, Neelanjana} } @article { ISI:000326207600012, title = {Complementation of intramolecular interactions for structural-functional stability of plant serine proteinase inhibitors}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1830}, number = {11}, year = {2013}, month = {NOV}, pages = {5087-5094}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Background: Plant protease inhibitors (PIs) constitute a diverse group of proteins capable of inhibiting proteases. Among Pls, serine Pls (SPIs) display stability and conformational restrictions of the reactive site loop by virtue of their compact size, and by the presence of disulfide bonds, hydrogen bonds, and other weak interactions. Scope of review: The significance of various intramolecular interactions contributing to protein folding mechanism and their role in overall stability and activity of SPIs is discussed here. Furthermore, we have reviewed the effect of variation or manipulation of these interactions on the activity/stability of SPIs. Major conclusions: The selective gain or loss of disulfide bond(s) in SPIs can be associated with their functional differentiation, which is likely to be compensated by non-covalent interactions (hydrogen bonding or electrostatic interactions). Thus, these intramolecular interactions are collectively responsible for the functional activity of SPIs, through the maintenance of scaffold framework, conformational rigidity and shape complementarities of reactive site loop. General significance: Structural insight of these interactions will provide an in-depth understanding of kinetic and thermodynamic parameters involved in the folding and stability mechanisms of SPIs. These features can be explored for engineering canonical SPIs for optimizing their overall stability and functionality for various applications. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Disulfide bond, hydrogen bonding, Intramolecular weak interaction, Protease, Reactive site loop, Serine proteinase inhibitor}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2013.07.019}, author = {Joshi, Rakesh S. and Mishra, Manasi and Suresh, C. G. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000328100400042, title = {Comprehensive study on mutual interplay of multiple V-shaped ligands on the helical nature of a series of coordination polymers and their properties}, journal = {Crystal Growth \& Design}, volume = {13}, number = {12}, year = {2013}, month = {DEC}, pages = {5487-5498}, abstract = {
{V-shaped ligands are commonly used for helical coordination polymer synthesis. However, employment of multiple V-shaped ligands does not always lead to a helical network. The mutual interplay of two V-shaped ligands, which is neither easily predictable nor well documented, plays a major role directing the self-assembly of the resultant network. We report here the construction of a series of novel coordination polymers {[Ni(OBA)(H2MDP)(H2O)]center dot(DMF)(3)}(n) (1),{[Ni(FBA)(H2MDP)]center dot(H2O)(3)center dot(DMF)\
}, author = {Goswami, Arijit and Bala, Sukhen and Pachfule, Pradip and Mondal, Raju} } @article { ISI:000324460900018, title = {Concise synthesis of (5R,6S)-tert-butyl 5-acetoxy-6-(hydroxymethyl)-5,6-dihydropyridine-1(2H)-carboxylate}, journal = {Arkivoc}, number = {2}, year = {2013}, month = {OCT}, pages = {220-227}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
An efficient synthesis of (5R,6S)-tert-butyl 5-acetoxy-6-(hydroxymethyl)-5,6-dihydropyridine-1(2H)-carboxylate 1, a common intermediate for various polyhydroxylated piperidines is reported in six steps with 32\% overall yield starting from Garner{\textquoteright}s aldehyde. The key steps include the diastereoselective nucleophilic addition and intramolecular cyclization. (5R,6S)-tert-butyl 5-acetoxy-6-(hydroxymethyl)-5,6-dihydropyridine-1(2H)-carboxylate is a common precursor for the synthesis of 1-deoxy-L-mannojirimycin, 1-deoxy-L-idonojirimycin, L-fagomycin and related analogues.
}, keywords = {cyclization, Garner{\textquoteright}s aldehyde, nucleophilic addition, polyhydroxy piperidines}, issn = {1551-7004}, author = {Ramalingam, S. and Bhise, Ankushkumar D. and Show, Krishanu and Kumar, Pradeep} } @article { ISI:000326148700058, title = {Contact potential induced enhancement of magnetization in polyaniline coated nanomagnetic iron oxides by plasma polymerization}, journal = {Applied Physics Letters}, volume = {103}, number = {16}, year = {2013}, month = {OCT}, pages = {162414}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
The present work derives motivation from the so called surface/interfacial magnetism in core shell structures and commercial samples of Fe3O4 and gamma Fe2O3 with sizes ranging from 20 to 30 nm were coated with polyaniline using plasma polymerization and studied. The High Resolution Transmission Electron Microscopy images indicate a core shell structure after polyaniline coating and exhibited an increase in saturation magnetization by 2 emu/g. For confirmation, plasma polymerization was performed on maghemite nanoparticles which also exhibited an increase in saturation magnetization. This enhanced magnetization is rather surprising and the reason is found to be an interfacial phenomenon resulting from a contact potential. (C) 2013 AIP Publishing LLC.
}, issn = {0003-6951}, doi = {10.1063/1.4826459}, author = {Sethulakshmi, N. and Sooraj, V. and Sajeev, U. S. and Nair, Swapna S. and Narayanan, T. N. and Joy, Lija K. and Joy, Pattayil Alias and Ajayan, Pulickel M. and Anantharaman, Maliemadom R.} } @article { ISI:000326121800014, title = {Continuous flow multipoint dosing approach for selectivity engineering in sulfoxidation}, journal = {Organic Process Research \& Development}, volume = {17}, number = {10}, year = {2013}, month = {OCT}, pages = {1293-1299}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A continuous synthesis approach with multipoint dosing of one of the reagents is demonstrated for the synthesis of sulfoxide compounds such as proton pump inhibitors. Use of multipoint dosing of the oxidizing agent helped to minimize the possibility of over-oxidation leading to sulfone. Different oxidizing agents were used, and the effect of various parameters (viz. mole ratio of sulfide to oxidizing agent, temperature, residence time, concentration of oxidizing agent, etc.) on the yield of the desired sulfoxide compound was studied. Single-point and multipoint dosing approaches of the oxidizing agent were used for the most promising set of parameters. The performance was compared in terms of conversion of sulfide and the selectivity of the desired sulfoxide. Numbering up approach was used to produce the sulfoxide in a relatively large quantity at laboratory scale with complete conversion and over 99\% selectivity for the sulfoxide.
}, issn = {1083-6160}, doi = {10.1021/op400138v}, author = {Kulkarni, A. A. and Nivangune, N. T. and Joshi, Rohini R. and Joshi, Ramesh A.} } @article { ISI:000321012900013, title = {Controlled synthesis of a catalytically active hybrid metal-oxide incorporated zeolitic imidazolate framework (MOZIF)}, journal = {Chemical Communications}, volume = {49}, number = {59}, year = {2013}, month = {JUN}, pages = {6617-6619}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A rare hybrid Metal-Oxide incorporated Zeolitic Imidazolate Framework, MOZIF-1, containing tetrahedral Zn(II) and Mo(VI) centres has been synthesized. MOZIF-1 can degrade methyl orange and orange II dyes under visible light. Na-3[PMo12O40] is the source of Mo(VI) in MOZIF-1.
}, issn = {1359-7345}, doi = {10.1039/c3cc42904k}, author = {Dey, Chandan and Banerjee, Rahul} } @article { ISI:000312944900011, title = {Controlled synthesis of aligned Bi2S3 nanowires, sharp apex nanowires and nanobelts with its morphology dependent field emission investigations}, journal = {Crystengcomm}, volume = {15}, number = {5}, year = {2013}, month = {NOV}, pages = {890-896}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Well-aligned ultra-long Bi2S3 nanowire arrays with three kinds of apex morphology - abruptly sharpened apex, thin belt and flat - have been systematically fabricated on tungsten (W) foil by a facile hydrothermal method. The structural and morphological studies reveal formation of distinct tip morphologies, possessing high aspect ratio, single crystalline nature and growth along the orthorhombic [001] axis. A plausible growth mechanism has been proposed on the basis of observed experimental results. The field emission properties of Bi2S3 nanowires and sharp apex Bi2S3 nanowires are investigated. From the field emission studies, the values of the turn-on field, required to draw emission current density of similar to 0.1 mu A cm(-2), are observed to be similar to 2.01 and 1.21 V mu m(-1) for nanowires and sharp apex nanowires, respectively. Furthermore, ultra-long Bi2S3 nanowires are also grown on the W microtip (brush-like) from which very high emission current density similar to 11 mA cm(-2) has been drawn. These results are helpful for the design, fabrication and optimization of integrated field emitters using 1D nanostructures as cold cathode material.
}, issn = {1466-8033}, doi = {10.1039/c2ce26588e}, author = {Warule, Sambhaji S. and Chaudhari, Nilima S. and Kale, Bharat B. and Pandiraj, S. and Khare, Ruchita T. and More, Mahendra A.} } @article {42643, title = {Copolymerization of aleuritic acid with l-lactic acid and study the aggregation behavior in different solvents}, journal = {International Journal of Research in Pharmacy and Chemistry}, volume = {3}, year = {2013}, month = {JAN}, abstract = {
In this present work, we highlight the copolymerization of L-lactic acid (L-LA with protected aleuritic acid in presence of Lewis acid catalyst using dehyropolycondensation method. The resulted copolymers are pliable, soft, waxy or even viscous liquid copolymers influenced by the aleuritic acid content. The purpose of this study is to investigate the physical properties. In addition, deprotected copolymers focus micelle-like aggregates in various organic solvents and mixed organic solvent at various proportions.
}, issn = {2231-2781}, author = {Pandey, Asutosh K. and Garnaik, Baijayantimala} } @article { ISI:000319275700021, title = {Copolymerization of ethylene with unsaturated alcohols and methylmethacrylate using a silylated alpha-diimine nickel catalyst: molecular modeling and photodegradation studies}, journal = {Journal of Applied Polymer Science}, volume = {129}, number = {4}, year = {2013}, month = {AUG}, pages = {1820-1832}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
In this article, the experimental results obtained in the copolymerization of ethylene with polar monomers using a silylated -diimine nickel catalyst are described and compared with those obtained with a non-silylate similar one. The results show that the introduction of a siliyl group in the para-position of the imine moiety turns the catalyst less sensitive toward polar functionalities. However, the reactivity observed in copolymerization reactions was found to be reduced both the global polymerization and incorporation rates. Molecular modeling calculation allowed us to understand both the preferred insertion mode and the intermediate product structures for E/MMA copolymerization. Photodegradation studies showed that the presence of polar groups in the copolymers increases their rate of oxidation and turn them more easily degradable. The stabilization performed by Tinuvin 770 showed that for long-exposure times, it is not very effective regardless it is only mixed or grafted to the copolymer. (c) 2012 Wiley Periodicals, Inc.
}, keywords = {ageing, copolymers, Degradation, grafting}, issn = {0021-8995}, doi = {10.1002/app.38889}, author = {Matos, Ines and Fernandes, Susete N. and Liu, Hua-Rong and Tevtia, Amit K. and Singh, R. P. and Manda, Lemos and Lemos, Francisco and Marques, Maria M.} } @article { ISI:000313330000017, title = {Correlation between the variation in observed melting temperatures and structural motifs of the global minima of gallium clusters: an ab initio study}, journal = {Journal of Chemical Physics}, volume = {138}, number = {1}, year = {2013}, month = {JAN}, pages = {014303}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
We have investigated the correlation between the variation in the melting temperature and the growth pattern of small positively charged gallium clusters. Significant shift in the melting temperatures was observed for a change of only few atoms in the size of the cluster. Clusters with size between 31-42 atoms melt between 500-600 K whereas those with 46-48 atoms melt around 800 K. Density functional theory based first principles simulations have been carried out on Ga-n(+) clusters with n = 31, ... , 48. At least 150 geometry optimizations have been performed towards the search for the global minima for each size resulting in about 3000 geometry optimizations. For gallium clusters in this size range, the emergence of spherical structures as the ground state leads to higher melting temperature. The well-separated core and surface shells in these clusters delay isomerization, which results in the enhanced stability of these clusters at elevated temperatures. The observed variation in the melting temperature of these clusters therefore has a structural origin. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4772470]
}, issn = {0021-9606}, doi = {10.1063/1.4772470}, author = {Susan, Anju and Kibey, Aniruddha and Kaware, Vaibhav and Joshi, Kavita} } @article { ISI:000322611900037, title = {Correlation of hydrogen-bonding propensity and anticancer profile of tetrazole-tethered combretastatin analogues}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {23}, number = {16}, year = {2013}, month = {AUG}, pages = {4680-4684}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A series of 1,5-disubstituted tetrazole-tethered combretastatin analogues with extended hydrogen-bond donors at the ortho-positions of the aryl A and B rings were developed and evaluated for their antitubulin and antiproliferative activity. We wanted to test whether intramolecular hydrogen-bonding used as a conformational locking element in these analogues would improve their activity. The correlation of crystal structures with the antitubulin and antiproliferative profiles of the modified analogues suggested that hydrogen-bond-mediated conformational control of the A ring is deleterious to the bioactivity. In contrast, although there was no clear evidence that intramolecular hydrogen bonding to the B ring enhanced activity, we found that increased substitution on the B ring had a positive effect on antitubulin and antiproliferative activity. Among the various analogues synthesized, compounds 5d and 5e, having hydrogen-bonding donor groups at the ortho and meta-positions on the 4-methoxy phenyl B ring, are strong inhibitors of tubulin polymerization and antiproliferative agents having IC50 value in micromolar concentrations. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Colchicine, Combretastatin, Crystal, Tetrazole, Tubulin}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2013.06.004}, author = {Jedhe, Ganesh S. and Paul, Debasish and Gonnade, Rajesh G. and Santra, Manas K. and Hamel, Ernest and Tam Luong Nguyen and Sanjayan, Gangadhar J.} } @article { ISI:000312217200015, title = {Critical roles of key domains in complete adsorption of a beta peptide on single-walled carbon nanotubes: insights with point mutations and MD simulations}, journal = {Physical Chemistry Chemical Physics}, volume = {15}, number = {3}, year = {2013}, month = {NOV}, pages = {837-844}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Owing to the influence of nanomaterials on biomacromolecular behavior, their potential applications are rapidly gaining attention. Based on atomistic molecular dynamics simulation studies we have recently reported that the full-length A beta peptide, whose self-assembly is associated with Alzheimer{\textquoteright}s disease, adsorbs rapidly on single-walled carbon nanotubes, thereby losing its natural propensity to collapse. Here, we investigate the mechanistic overlap between the peptide{\textquoteright}s compactification and its adsorption, while decoupling the roles of hydrophobicity and aromaticity via point mutations. The collapse mechanism is correlated with interactions between the central hydrophobic core (HP1) and the peptide{\textquoteright}s C-terminal domain, which are almost exactly compensated by interactions arising from the nanotube after complete adsorption. Adsorption is initiated by HP1 and consolidated by strong interactions arising from the N-terminal domain. Altering the hydrophobicity, but not the aromatic character, of the central residue in HP1 decreases the collapse probability. On the other hand, the adsorption propensity is dramatically reduced when either the hydrophobicity or the aromatic character in HP1 is compromised. The hydrophobicity of HP1 is responsible for dewetting transitions that facilitate its initial interactions with the nanotube, which then lead to very favorable interactions with the nanotube.
}, issn = {1463-9076}, doi = {10.1039/c2cp42933k}, author = {Jana, Asis K. and Jose, Jaya C. and Sengupta, Neelanjana} } @article { ISI:000316859400002, title = {Crystal structure and fluorescence analysis of alkaline thermostable xylanase from bacillus sp (NCL 87-6-10)}, journal = {Protein and Peptide Letters}, volume = {20}, number = {2}, year = {2013}, month = {FEB}, pages = {125-132}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Structural information deduced from the new crystal form of xylanase from Bacillus sp (NCL 87-6-10) (ATBXYL-C) helped us to identify the active site and interpret the stability of the enzyme. The analysis of the tetragonal crystal structure of ATBXYL-C with a bound and cleaved xylotriose revealed the two glutamic acid residues in the structure that could act as nucleophile (Glu94) and base (Glu184) in the enzyme activity and also the tryptophan residues interacting with the substrate. The cleavage of xylotriose in the crystal showed xylobiose to be the major product. Intrinsic fluorescence of the enzyme showed the presence of tryptophans in partially exposed to the solvent at the active site and surface tryptophans in electropositive environment. The titration experiments with xylobiose and xylotriose revealed slightly enhanced preference for longer chain X3 compared with X2. The crystal structure also account for some of the factors, such as increased number of ionic interactions and additional interactions at the N-terminus, which contributed to increased alkalophilicity and thermostability of the enzyme.
}, keywords = {active site residues, Alkaline thermophile Bacillus xylanase (ATBXYL-C), fluorescence studies, three-dimensional structure}, issn = {0929-8665}, doi = {10.2174/092986613804725271}, author = {Satyanarayana, L. and Gaikwad, Sushama M. and Balkrishnan, H. and Suresh, C. G.} } @article { ISI:000316341000001, title = {Crystalline xylitol production by a novel yeast, pichia caribbica (HQ222812), and its application for quorum sensing inhibition in gram-negative marker strain chromobacterium violaceum CV026}, journal = {Applied Biochemistry and Biotechnology}, volume = {169}, number = {6}, year = {2013}, month = {MAR}, pages = {1753-1763}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
Xylitol, a sugar alcohol, is fast gaining ground over other artificial sugar substitutes owing to its advantageous properties. Xylitol is a safer alternative for diabetics because of insulin-independent metabolism. It has beneficial properties suitable to form an important part of odontological formulations. Conventional commercial production of xylitol involves harsh chemical method operating at high temperature and pressure. Thus, microbial production of xylitol is preferred over chemical method, and yeasts have been extensively exploited for this purpose. In the present manuscript, quantitative production of xylitol from d-xylose with the yield of 0.852 gm/gm and volumetric productivity of 1.83 gm/l/h in crystalline form, using novel yeast Pichia caribbica is reported. Also, a mild, safe procedure for product extraction is described. The ability of xylitol to act as a quorum sensing antagonist in gram-negative marker strain Chromobacterium violaceum CV026 has been demonstrated for the first time.
}, keywords = {Crystallization, CV026, Pichia caribbica, Quorum sensing antagonist, xylitol}, issn = {0273-2289}, doi = {10.1007/s12010-012-0039-4}, author = {Mukherji, Ruchira and Joshi-Navare, Kasturi and Prabhune, Asmita} } @article { ISI:000312135500006, title = {Crystallisation of ferrous sulphate heptahydrate: experiments and modelling}, journal = {Canadian Journal of Chemical Engineering}, volume = {91}, number = {1}, year = {2013}, month = {JAN}, pages = {47-53}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Crystallisation is an industrially important unit operation for purifying and separating chemical mixtures. A generic crystallisation modelling framework has been implemented in the general process modelling system (gPROMS) software (of PSE, UK). This framework can be used to model the batch cooling crystallisation of ferrous sulphate heptahydrate (FSH). The parameter estimation and sensitivity of the predicted results with various numerical parameters was studied for batch crystalliser. An Excel front-end to the gPROMS model was developed to facilitate the interactive use of the model. (c) 2011 Canadian Society for Chemical Engineering
}, keywords = {batch crystallisation, ferrous sulphate heptahydrate, gPROMS, MSExcel-linking, parameter estimation}, issn = {0008-4034}, doi = {10.1002/cjce.20695}, author = {Shaikh, Latif and Pandit, Aniruddha and Ranade, Vivek} } @article { ISI:000330613400010, title = {Crystallization: key thermodynamic, kinetic and hydrodynamic aspects}, journal = {Sadhana-Academy Proceedings in Engineering Sciences}, volume = {38}, number = {6}, year = {2013}, month = {DEC}, pages = {1287-1337}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Crystallization is extensively used in different industrial applications, including the production of a wide range of materials such as fertilizers, detergents, food and pharmaceutical products, as well as in the mineral processing industries and treatment of waste effluents. In spite of the wide-spread use of crystallization, a clear understanding of the thermodynamic, kinetic and hydrodynamic aspects of the design methodologies are not yet well established. More often than not crystallization is still considered an art especially in fine-chemicals, pharmaceuticals and life-sciences sector. It is essential to understand and relate key thermodynamic, kinetic and hydrodynamic aspects to crystallizer performance, not just in terms of yield but also in terms of product quality (characterized by particle size distribution, morphology, polymorphism and the amount of strain as well as the uptake of solvent or impurities in the crystal lattice). This paper attempts to do that by critically reviewing published experimental and modelling studies on establishing and enhancing state-of-the-art thermodynamic, kinetic and hydrodynamic aspects of crystallization. Efforts are made to discuss and raise points for emerging modelling tools needed for a flexible design and operation of crystallizers and crystallization processes that are needed to meet the ever increasing demand on precise product specifications. Focus is on bringing out the trends which can be used as perspectives for future studies in this field.
}, keywords = {CFD, Crystallization, growth, Nucleation, polymorphism, supersaturation}, issn = {0256-2499}, author = {Vedantam, Sreepriya and Ranade, Vivek V.} } @article { ISI:000326058500009, title = {Crystallization kinetics of Sn-MFI molecular sieve formation by dry gel cross mark conversion method}, journal = {Microporous and Mesoporous Materials}, volume = {182}, year = {2013}, month = {DEC}, pages = {73-80}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The conversion of amorphous stannosilicate dry gel into crystalline molecular sieve with MFI structure (Sn-MFI) was achieved by dry gel conversion (DGC) method at 413, 443 and 473 K. For comparison purpose, Sn-MFI molecular sieve with similar SiO2/SnO2 mole ratio was also obtained by hydrothermal crystallization route. Crystallization curves were established by conducting time dependant studies on progressive crystallization processes for both the systems. The values of activation energy of nucleation (E-n), activation energy of crystallization (E-c), and their pre-exponential factors (InA(n), InA(c) respectively) were calculated from Arrhenius plots. Compared to the hydrothermal method, shorter induction period was observed when DGC method was employed. Both the E-n (49.70 kJ/mol) and E-c (52.82 kJ/mol) for DGC method were found to be lower than that of the E-n (55.70 kJ/mop and E-c (60.23 kJ/mol) for hydrothermal method. The kinetics parameters viz. K and q were derived from kinetic expressions and DGC method showed higher value of K and lower value of q compared to hydrothermal crystallization method at identical temperature. Various DGC method parameters such as water content at the bottom of autoclave and SiO2/SnO2 mole ratio have shown the influence on the kinetics of crystallization of Sn-MFI. (C) 2013 Elsevier Inc. All rights reserved.
}, keywords = {Crystallization, DGC, kinetics, Nucleation, Sn-MFI}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2013.08.026}, author = {Niphadkar, P. S. and Tangale, N. P. and Joshi, P. N. and Awate, S. V.} } @article { ISI:000319721200042, title = {CuCN-Mediated cascade cyclization of 4-(2-bromophenyl)-2-butenoates: a high-yield synthesis of substituted naphthalene amino esters}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {10}, year = {2013}, month = {MAY}, pages = {5045-5050}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new method of CuCN-mediated one-pot cyclization of 4-(2-bromophenyl)-2-butenoates leading to efficient synthesis of substituted naphthalene amino esters including phenanthrene aromatic structural units is described. Deuterium labeling studies establish that this one-pot cascade cyclization proceeds through isomerization of olefin, intramolecular C-C bond cyclization, and aromatization as the key intermediates, all occurring in a single step.
}, issn = {0022-3263}, doi = {10.1021/jo400244h}, author = {Reddy, R. Santhosh and Prasad, Pragati K. and Ahuja, Brij Bhushan and Sudalai, Arumugam} } @article { ISI:000319610100005, title = {Cyanate ester resins containing pentadecyl-substituted cyclohexyl moiety: synthesis, curing and structure-property relationship}, journal = {High Performance Polymers}, volume = {25}, number = {3}, year = {2013}, month = {MAY}, pages = {278-286}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {
Cyanate ester (CE) monomers containing pentadecyl-substituted cyclohexyl moieties such as 1,1-bis(4-cyanatophenyl) 3-pentadecylcyclohexane and 1,1-bis(4-cyanatophenyl) cyclohexane were synthesized and characterized by Fourier transform infrared, proton-nuclear magnetic resonance (H-1-NMR) and carbon-nuclear magnetic resonance (C-13-NMR) spectroscopies as well as differential scanning calorimetry (DSC). Both 1,1-bis(4-cyanatophenyl) 3-pentadecylcyclohexane and 1,1-bis(4-cyanatophenyl) cyclohexane exhibited better processability coupled with lower melting points, lower cure onset with broad cure exotherm than the commercially available CE monomer, namely, 2,2-bis(4-cyanatophenyl) propane. Glass transition temperatures of cured 2,2-bis(4-cyanatophenyl) propane, 1,1-bis(4-cyanatophenyl) cyclohexane and 1,1-bis(4-cyanatophenyl) 3-pentadecylcyclohexane were observed to be 288 degrees C, 302 degrees C and 160 degrees C, respectively. Cured 1,1-bis(4-cyanatophenyl) cyclohexane displayed higher storage modulus (1.59 x 10(9) Pa) than 1,1-bis(4-cyanatophenyl) 3-pentadecylcyclohexane (1.07 x 10(9) Pa) and 2,2-bis(4-cyanatophenyl) propane (1.39 x 10(9) Pa). The order of thermal stability of cured polycyanurates was found to be 2,2-bis(4-cyanatophenyl) propane \> 1,1-bis(4-cyanatophenyl) cyclohexane \> 1,1-bis(4-cyanato phenyl) 3-pentadecylcyclohexane. The moisture absorption of cured resins derived from 1,1-bis(4-cyanatophenyl) 3-pentadecyl cyclohexane and 1,1-bis(4-cynatophenyl) cyclohexane was found to be lower than that of 2,2-bis(4-cynatophenyl) propane implying the role of pentadecyl substituent and/or cyclohexyl moiety in imparting hydrophobicity to the polycyanurates.
}, keywords = {(pentadecyl substituted) cyclohexyl, curing, cyanate ester resin, thermosets}, issn = {0954-0083}, doi = {10.1177/0954008312463738}, author = {Kulkarni, Arun D. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article { ISI:000323644600046, title = {Defluoridation of drinking water using pural (R) MG-20 mixed hydroxide adsorbent}, journal = {Water Air and Soil Pollution}, volume = {224}, number = {9}, year = {2013}, month = {SEP}, pages = {1727}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The potential ofmixed alumina-magnesia hydroxide adsorbent (PURAL (R) MG-20) for defluoridation of drinking water using batch and continuous mode of operations has been reported in the present article. Systematic adsorption experiments were carried out to elucidate the effects of different process parameters such as adsorbent dose, initial fluoride concentration, pH of the solution and effect of other ions (usually present in groundwater). These studies were aimed to understand the adsorption behaviour of the PURAL (R) MG-20 adsorbents. Fluoride adsorption by PURAL (R) MG-20 sorbent was found pH dependent. Maximum fluoride removal efficiency was observed in the range of pH 5-7. Langmuir isotherm described the data better than Freundlich and Temkin isotherm models and the adsorption capacity was found to be 5.62 mg g(-1) at initial fluoride concentration of 5.13 mg L-1, pH 7 and contact time 24 h. The kinetic result shows that the fluoride sorption follows pseudo-second-order kinetics. Column breakthrough studies were performed to test the performance of the adsorbent media at continuous mode of operation. Thus, it can be concluded that PURAL (R) MG-20 adsorbent can be used directly for field applications since it shows high fluoride uptake capacity under simulated drinking water conditions and it is also commercially available.
}, keywords = {Breakthrough studies, Defluoridation of drinking water, Kinetic modelling, Mixed hydroxide adsorbent}, issn = {0049-6979}, doi = {10.1007/s11270-013-1727-6}, author = {Patankar, Gaurang V. and Tambe, Amruta S. and Kulkarni, Bhaskar D. and Malyshew, Alexander and Kamble, Sanjay P.} } @article { ISI:000325676500006, title = {Dehydration of fructose to 5-hydroxymethyl furfural over ordered AlSBA-15 catalysts}, journal = {Microporous and Mesoporous Materials}, volume = {181}, year = {2013}, month = {NOV}, pages = {38-46}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
5-Hydroxymethyl furfural is an important platform chemical. It is successfully synthesized from renewable carbohydrates using mesoporous AlSBA-15 catalysts under biphasic conditions. Fine tuning of the catalyst acidity is important to drive the reaction to give good yields of furan compound. Al-SBA-15 catalysts with different Si/Al ratios were prepared and characterized by XRD, Al-27 MASNMR, SEM, TEM, N-2 sorption, ICP-OES and TPD of ammonia. Results show that part of aluminium is substituted into tetrahedral positions. The catalyst with lower acid site density but medium to strong acid strength favours selective formation of HMF. Under the optimized conditions, HMF selectivity was as high as 88\% at 59 mol\% conversion of fructose. Leaching of part of aluminium occurs under hydrothermal conditions, if solvent mixtures containing water are used, while activity can be retained if DMSO is used as solvent. (c) 2013 Elsevier Inc. All rights reserved.
}, keywords = {Acidity, AlSBA-15, dehydration, fructose, Hydroxymethyl furfural}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2013.07.015}, author = {Lucas, Nishita and Kokate, Ganesh and Nagpure, Atul and Chilukuri, Satyanarayana V.} } @article { ISI:000327803900050, title = {Dehydrogenation of cyclohexanol over Cu/Al2O3 catalysts prepared with different precipitating agents}, journal = {Applied Catalysis A-General}, volume = {467}, year = {2013}, month = {OCT}, pages = {421-429}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Dehydrogenation of cyclohexanol over Cu/Al2O3 catalysts (molar Cu:Al = 1:1) prepared by reduction of mixed oxide precursors synthesized using different precipitating agents viz, potassium carbonate, tetraalkyl ammonium hydroxides (TAAOHs) and urea was investigated. In order to assess the efficacy of TAAOH further, the chain length of tetraalkyl ammonium cations was also varied and the resulted catalysts were evaluated for their catalytic performance. The catalysts were characterized by powder X-ray diffraction, low temperature nitrogen adsorption, temperature programmed desorption of ammonia and UV-visible diffuse reflectance spectroscopy. The dependence of the catalyst performance on the precipitating agent employed during its synthesis has been clearly demonstrated. The use of TAAOH as precipitating agent led to the formation of a catalyst with better catalytic activity than those prepared using potassium carbonate and urea. Further improvement in the catalytic performance was observed when TAAOH with longer alkyl chain ammonium cation was used. The optimum catalyst prepared by reduction of mixed oxide precursor synthesized using tetrapropyl ammonium hydroxide as precipitating agent, showed highest cyclohexanol conversion (81.5\%) and cyclohexanone selectivity (79.6\%) at 250 degrees C on account of higher Cu+/Cu-0 ratio, well dispersed copper, higher surface area and lower total acidity with higher contribution of sites with moderate strength. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Characterization, Cu/Al2O3, Cyclohexanol dehydrogenation, Precipitating agent, Tetraalkyl ammonium hydroxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.07.063}, author = {Tangale, Nilesh P. and Niphadkar, Prashant S. and Deshpande, Shilpa S. and Joshi, Praphulla N.} } @article { ISI:000315707600041, title = {Design and performance aspects of a custom-built ambient pressure photoelectron spectrometer toward bridging the pressure gap: oxidation of Cu, Ag, and Au surfaces at 1 mbar O-2 pressure}, journal = {Journal of Physical Chemistry C}, volume = {117}, number = {9}, year = {2013}, month = {MAR}, pages = {4717-4726}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The critical features of a custom-built laboratory version ambient pressure photoelectron spectrometer (Lab-APPES) are presented. A double front cone differential pumping arrangement and an aperture free design employed in the electrostatic lens regime improve the data collection and data quality. In contrast to the conventional X-ray photoelectron spectrometers (XPS) operating at ultrahigh vacuum (UHV), it is possible to explore the electronic structure of solid surfaces under working conditions or closer to working conditions with Lab-APPES. Especially surface-dependent phenomena can be explored up to 1 mbar pressure and up to 873 K by conventional heating methods and at least up to 1273 K by a laser heating method. Simultaneous XPS and reaction kinetic measurements on solid surfaces make the Lab-APPES an important tool to measure the dynamic electronic structure changes on material surfaces under reaction conditions. The interaction of O-2 with polycrystalline foils of Cu, Ag, and Au from UHV to 1 mbar and up to 773 K has been studied.
}, issn = {1932-7447}, doi = {10.1021/jp312706s}, author = {Roy, Kanak and Vinod, C. P. and Gopinath, Chinnakonda S.} } @article { ISI:000329137400081, title = {Design of a high performance thin all-solid-state supercapacitor mimicking the active interface of its liquid-state counterpart}, journal = {ACS Applied Materials \& Interfaces}, volume = {5}, number = {24}, year = {2013}, month = {DEC}, pages = {13397-13404}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Here we report an all-solid-state supercapacitor (ASSP) which closely mimics the electrode-electrolyte interface of its liquid-state counterpart by impregnating polyaniline (PANO-coated carbon paper with polyvinyl alcohol-H2SO4 (PVA-H2SO4) gel/plasticized polymer electrolyte. The well penetrated PVA-H2SO4 network along the porous carbon matrix essentially enhanced the electrode-electrolyte interface of the resulting device with a very low equivalent series resistance (ESR) of 1 Omega/cm(2) and established an interfacial structure very similar to a liquid electrolyte. The designed interface of the device was confirmed by cross-sectional elemental mapping and scanning electron microscopy (SEM) images. The PANI in the device displayed a specific capacitance of 647 F/g with an areal capacitance of 1 F/cm(2) at 0.5 A/g and a capacitance retention of 62\% at 20 A/g. The above values are the highest among those reported for any solid-state-supercapacitor. The whole device, including the electrolyte, shows a capacitance of 12 F/g with a significantly low leakage current of 16 mu A(2). Apart from this, the device showed excellent stability for 10000 cycles with a coulombic efficiency of 100\%. Energy density of the PANI in the device is 14.3 Wh/kg.
}, keywords = {all-solid-state, cyclic voltametry, impedance analysis, polyaniline, polyvinyl alcohol, supercapacitor}, issn = {1944-8244}, doi = {10.1021/am404320e}, author = {Anothumakkool, Bihag and Torris, Arun A. T. and Bhange, Siddheshwar N. and Unni, SreeKuttan M. and Badiger, Manohar V. and Kurungot, Sreekumar} } @article { ISI:000328153400006, title = {Design of decanter in heterogeneous azeotropic distillation column by minimizing Gibbs free energy}, journal = {Asia-Pacific Journal of Chemical Engineering}, volume = {8}, number = {6}, year = {2013}, month = {NOV}, pages = {843-848}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
In this paper, liquid-liquid equilibrium in decanter of heterogeneous azeotropic distillation is solved by minimizing Gibbs free energy, by using global optimization technique. The azeotropic distillation column is modeled by solving material balance, equilibrium and summation equations, and repulsive particle swarm optimization (RPSO), a stochastic global optimization formalism, is employed to predict stable steady state solution in decanter. To verify the performance of the RPSO algorithm, it is compared with equation solving method for liquid-liquid equilibria by considering two azeotropic systems, namely (1) benzene-ethanol-water and (2) furfural-water. The proposed methodology shows feasibility of the RPSO algorithm in predicting liquid-liquid equilibrium in decanter of heterogeneous azeotropic distillation. (c) 2013 Curtin University of Technology and John Wiley \& Sons, Ltd.
}, keywords = {decanter, Gibbs free energy, heterogeneous azeotropic distillation, liquid-liquid equilibrium, Optimization, repulsive particle swarm optimization method}, issn = {1932-2135}, doi = {10.1002/apj.1728}, author = {Rahman, Imran and Ubaidullah, S. and Das, Anwesh Kr.} } @article { ISI:000324465000030, title = {Design, synthesis, evaluation and thermodynamics of 1-substituted pyridylimidazo[1,5-a]pyridine derivatives as cysteine protease inhibitors}, journal = {Plos One}, volume = {8}, number = {8}, year = {2013}, month = {AUG}, pages = {e69982}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Targeting papain family cysteine proteases is one of the novel strategies in the development of chemotherapy for a number of diseases. Novel cysteine protease inhibitors derived from 1-pyridylimidazo[1,5-a]pyridine representing pharmacologically important class of compounds are being reported here for the first time. The derivatives were initially designed and screened in silico by molecular docking studies against papain to explore the possible mode of action. The molecular interaction between the compounds and cysteine protease (papain) was found to be very similar to the interactions observed with the respective epoxide inhibitor (E-64c) of papain. Subsequently, compounds were synthesized to validate their efficacy in wet lab experiments. When characterized kinetically, these compounds show their K-i and IC50 values in the range of 13.75 to 99.30 mu M and 13.40 to 96.50 mu M, respectively. The thermodynamics studies suggest their binding with papain hydrophobically and entropically driven. These inhibitors also inhibit the growth of clinically important different types of Gram positive and Gram negative bacteria having MIC50 values in the range of 0.6-1.4 mu g/ml. Based on Lipinski{\textquoteright}s rule of Five, we also propose these compounds as potent antibacterial prodrugs. The most active antibacterial compound was found to be 1-(2-pyridyl)-3-(2-hydroxyphenyl)imidazo[1,5-a]pyridine (3a).
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0069982}, author = {Khan, Mohd Sajid and Baig, Mohd Hassan and Ahmad, Saheem and Siddiqui, Shapi Ahmad and Srivastava, Ashwini Kumar and Srinivasan, Kumar Venkatraman and Ansari, Irfan A.} } @article { ISI:000319417100005, title = {Design, synthesis, structural characterization by IR, 1H, 13C, 15N, 2D-NMR, X-ray diffraction and evaluation of a new class of phenylaminoacetic acid benzylidene hydrazines as pfENR inhibitors}, journal = {Chemical Biology \& Drug Design}, volume = {81}, number = {6}, year = {2013}, month = {JUN}, pages = {715-729}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Recent studies have revealed that plasmodial enoyl-ACP reductase (pfENR, FabI), one of the crucial enzymes in the plasmodial type II fatty acid synthesis II (FAS II) pathway, is a promising target for liver stage malaria infections. Hence, pfENR inhibitors have the potential to be used as causal malarial prophylactic agents. In this study, we report the design, synthesis, structural characterization and evaluation of a new class of pfENR inhibitors. The search for inhibitors began with a virtual screen of the iResearch database by molecular docking. Hits obtained from the virtual screen were ranked according to their Glide score. One hit was selected as a lead and modified to improve its binding to pfENR; from this, a series of phenylamino acetic acid benzylidene hydrazides were designed and synthesized. These molecules were thoroughly characterized by IR, 1H, 13C, 15N, 2D-NMR (COSY, NOESY, 1H-13C, 1H-15N HSQC and HMBC), and X-ray diffraction. NMR studies revealed the existence of conformational/configurational isomers around the amide and imine functionalities. The major species in DMSO solution is the E, E form, which is in dynamic equilibrium with the Z, E isomer. In the solid state, the molecule has a completely extended conformation and forms helical structures that are stabilized by strong hydrogen bond interactions, forming a helical structure stabilized by N-H...O interactions, a feature unique to this class of compounds. Furthermore, detailed investigation of the NMR spectra indicated the presence of a minor impurity in most compounds. The structure of this impurity was deduced as an imidazoline-4-one derivative based on 1H-13C and 1H-15H HMBC spectra and was confirmed from the NOESY spectra. The molecules were screened for in vitro activity against recombinant pfENR enzyme by a spectrophotometric assay. Four molecules, viz. 17, 7, 10, and 12 were found to be active at 7, 8, 10, and 12m concentration, respectively, showing promising pfENR inhibitory potential. A classification model was derived based on a binary QSAR approach termed recursive partitioning (RP) to highlight structural characteristics that could be tuned to improve activity.
}, keywords = {ADMET, docking, enoyl-ACP reductase, FabI, hydrogen bonding, NMR, phenylaminoacetic acid benzylidene hydrazine, Plasmodium falciparum, Plasmodium falciparum enoyl-ACP reductase, QSAR, recursive partitioning, X-ray diffraction}, issn = {1747-0277}, doi = {10.1111/cbdd.12118}, author = {Samal, Ramanuj P. and Khedkar, Vijay M. and Pissurlenkar, Raghuvir R. S. and Bwalya, Angela Gono and Tasdemir, Deniz and Joshi, Ramesh A. and Rajamohanan, P. R. and Puranik, Vedavati G. and Coutinho, Evans C.} } @article { ISI:000325194900021, title = {Designing a thiol specific fluorescent probe for possible use as a reagent for intracellular detection and estimation in blood serum: kinetic analysis to probe the role of intramolecular hydrogen bonding}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {38}, year = {2013}, month = {OCT}, pages = {6604-6614}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new and simple chemodosimetric probe L-1 is utilized for the selective detection of biothiols in the presence of other relevant amino acids under physiological conditions (pH = 7.4). This eventually led to a turn-off luminescence response due to an effective photoinduced electron transfer based signaling mechanism. A comparison of the results of the fluorescence kinetic analysis and H-1 NMR studies of the reaction between thiol and L-1 or the analogous compound L-2 revealed the role of intramolecular hydrogen bonding in activating the imine functionality towards nucleophilic addition. Such an example is not common in contemporary literature. Conventional MTT assay studies revealed that this probe (L-1) has low cytotoxicity. Results of the cell imaging studies revealed that this probe was cell membrane permeable and could detect the intracellular distribution of biothiols within living HeLa cells. Furthermore, our studies with human blood plasma demonstrated the possibility of using this reagent for the quantitative optical detection of total biothiols in biological fluid. Such an example for the detection of biothiols in real biological samples is rare in the contemporary literature. These results clearly demonstrate the possibility of using this reagent in medicinal biology and diagnostic applications.
}, issn = {1477-0520}, doi = {10.1039/c3ob41284a}, author = {Das, Priyadip and Mandal, Amal Kumar and Reddy, Upendar G. and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000320275600007, title = {Desymmetrization approach to the enantiopure syn/anti-1,5-diols via hydrolytic kinetic resolution (hkr) of functionalized meso-bis-epoxides: further elaboration to syn/syn-1,3,5-triols and application to the formal synthesis of cryptocarya diacetate}, journal = {Advanced Synthesis \& Catalysis}, volume = {355}, number = {9}, year = {2013}, month = {JUN}, pages = {1719-1723}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A new approach has been developed for the synthesis of enantiopure syn/anti-1,5-diols by desymmetrization of functionalized meso-bis-epoxides using hydrolytic kinetic resolution (HKR). The usage of this protocol was demonstrated by converting syn-1,5-diols into syn/syn-1,3,5-triols and its subseqent application to the formal synthesis of cryptocarya diacetate.
}, keywords = {bis-epoxides, cryptocarya diacetate, desymmetrization, stereoselective reduction, synthetic methods}, issn = {1615-4150}, doi = {10.1002/adsc.201300098}, author = {Kumar, Pradeep and Chowdhury, Partha Sarathi and Pandey, Menaka} } @article { ISI:000319335700004, title = {Detection and knockdown of MicroRNA-34a using thioacetamido nucleic acid}, journal = {Nucleic Acid Therapeutics}, volume = {23}, number = {3}, year = {2013}, month = {JUN}, pages = {195-202}, publisher = {MARY ANN LIEBERT INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {
Thioacetamido nucleic acids (TANA) contain a backbone modification of dinucleotides consisting of a 5-atom amide linker N3{\textquoteright}-COCH2-S-CH2 at thymidine or thymidine-cytidine dimer blocks. Here, the chemical synthesis of the TANA linked 5-methyl-cytidine-cytidine ((Me)cc) dimer block and its incorporation into the DNA sequence, complementary to human microRNA 34 (miR-34) is described. Further, for the first time, we demonstrate the biological applications of TANA modified oligonucleotides in detection and intracellular knockdown of a cancer related microRNA in comparison with DNA containing locked nucleic acid (LNA) and 2{\textquoteright}-O-methyl modifications. The human microRNA miR-34 is a pro-apoptotic microRNA under the transcriptional control of protein 53 (p53). It gets expressed in response to DNA damage and regulates several cell cycle and apoptosis related targets. Here, we show that the TANA modified antisense oligonucleotide binds specifically to miR-34a, allowing its detection using primer extension. We also show that, using the TANA modified antisense oligonucleotide against miR-34a, intracellular levels of miR-34 can be reduced, and consequently, the expression of its target oncogene V-myc myelocytomatosis viral related oncogene, neuroblastoma derived (MYCN) is enhanced. Further, we assessed the toxicity and serum stability of the oligonucleotide to conclude that it is suitable for detection and modulation of the vital biomarker and tumor suppressor microRNA.
}, issn = {2159-3337}, doi = {10.1089/nat.2012.0411}, author = {Soni, Kartik and Gupta, Shivani and Gokhale, Sachin S. and Dey, Rakesh and Gunjal, Anita D. and Kumar, Vaijayanti A. and Pillai, Beena} } @article {43074, title = {Development and validation of a sensitive bioanalytical method for the determination of sumatriptan in rat plasma by UPLC-MS}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {5}, year = {2013}, month = {AUG}, pages = {78-82}, author = {Kumbhar, Amruta B. and Galgatte, Upendra C. and Warkad, Shrikant D. and Santhakumari, B.} } @article { ISI:000313812400012, title = {Development of a multifunctional catalyst for a {\textquoteleft}{\textquoteleft}relay{\textquoteright}{\textquoteright} reaction}, journal = {RSC Advances}, volume = {3}, number = {7}, year = {2013}, month = {DEC}, pages = {2186-2191}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In the area of catalysis, nanoparticles and enzymes are two of the most important systems. By amalgamating the two, we present here proof of the concept that it is possible to prepare a multifunctional catalyst that can carry out a {\textquoteleft}{\textquoteleft}relay{\textquoteright}{\textquoteright} reaction. The catalyst consists of a surface bound enzyme on a metal(core)-silica(shell) nanoparticle architecture. Here the enzyme catalyzes the 1st reaction and the metal nanoparticles act as a catalyst for the 2nd reaction of the product from the 1st reaction. In particular, we have studied the catalytic activity of glucosidase grafted Au@mSiO(2) on 4-nitrophenyl-beta-glucopyranoside, where glucosidase will catalyse the 1st step to generate 4-nitrophenol, which acts as a substrate for the next reduction step which is catalysed by the Au nanoparticles present inside the mesoporous silica shell.
}, issn = {2046-2069}, doi = {10.1039/c2ra22829g}, author = {Ganai, Anal Kumar and Shinde, Pravin and Dhar, Basab B. and Sen Gupta, Sayam and Bhagavatula L. V. Prasad} } @article { ISI:000322943000001, title = {Diethylamine: a smart organocatalyst in eco-safe and diastereoselective synthesis of medicinally privileged 2-amino-4H-chromenes at ambient temperature}, journal = {Comptes Rendus Chimie}, volume = {16}, number = {8}, year = {2013}, month = {AUG}, pages = {689-695}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
Diethylamine has been demonstrated to be an efficient organocatalyst in the diastereoselective synthesis of Bcl-2 protein antagonist (HA-14-1) and of its structural analogues by one-pot condensation between salicylaldehyde and three different C-H acids, viz, ethyl cyanoacetate, phenylsulfonyl acetonitrile, and malononitrile. Easy commercial availability of the catalyst at extremely low cost and avoidance of conventional work-up as well as purification procedures qualifies this scalable protocol for a {\textquoteleft}{\textquoteleft}near-ideal synthesis{\textquoteright}{\textquoteright}. (c) 2013 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.
}, keywords = {2-amino-4H-chromenes, Active methylene compounds (C-H acids), diethylamine, multicomponent reactions, organocatalyst}, issn = {1631-0748}, doi = {10.1016/j.crci.2013.02.016}, author = {Kulkarni, Makarand A. and Pandit, Kapil S. and Desai, Uday V. and Lad, Uday P. and Wadgaonkar, Prakash P.} } @article { ISI:000318443400003, title = {Differential protease activity augments polyphagy in helicoverpa armigera}, journal = {Insect Molecular Biology}, volume = {22}, number = {3}, year = {2013}, month = {JUN}, pages = {258-272}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Helicoverpa armigera (Lepidoptera: Noctuidae) and other polyphagous agricultural pests are extending their plant host range and emerging as serious agents in restraining crop productivity. Dynamic regulation, coupled with a diversity of digestive and detoxifying enzymes, play a crucial role in the adaptation of polyphagous insects. To investigate the functional intricacy of serine proteases in the development and polyphagy of H.armigera, we profiled the expression of eight trypsin-like and four chymotrypsin-like phylogenetically diverse mRNAs from different life stages of H.armigera reared on nutritionally distinct host plants. These analyses revealed diet- and stage-specific protease expression patterns. The trypsins expressed showed structural variations, which might result in differential substrate specificity and interaction with inhibitors. Protease profiles in the presence of inhibitors and their mass spectrometric analyses revealed insight into their differential activity. These findings emphasize the differential expression of serine proteases and their consequences for digestive physiology in promoting polyphagy in H.armigera.
}, keywords = {adaptation, chymotrypsin, Helicoverpa armigera, polyphagy, Trypsin}, issn = {0962-1075}, doi = {10.1111/imb.12018}, author = {Chikate, Yojana R. and Tamhane, V. A. and Joshi, Rakesh S. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000321965700043, title = {Direct contact heat transfer via injecting volatile liquid in a hot liquid pool: generation and motion of bubbles}, journal = {Chemical Engineering Science}, volume = {100}, year = {2013}, note = {11th International Conference on Gas-Liquid and Gas-Liquid-Solid Reactor Engineering (GLS) Held in Conjunction with 9th World Congress on Chemical Engineering (WCCE) / Asian Pacific Conference on Chemical Engineering (APCChE), Seoul, SOUTH KOREA, AUG 19-22, 2013}, month = {AUG}, pages = {421-432}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Direct contact heat transfer via injection of volatile liquid is an effective strategy for removing heat from a viscous liquid pool. The rapid evaporation effectively removes heat and the generated bubbles move quickly to the top surface. In this paper, we present an experimental and phenomenological analysis of the evaporation of a drop in a slightly miscible liquid. The phenomenon was visualized using a two-dimensional transparent experimental set-up with a single inlet at the bottom. The videos were used to estimate bubble dimensions, its rise velocity, distance from the detachment point, and fraction of vapor and the liquid phases in the evaporating drop. The initial drop size, temperature difference between the hot fluid and the low boiling solvent and the nucleation rate governed the rate of change of the drobble (combined entity of drop and bubble) diameter and its rise velocity. A phenomenological model describing transient behavior of drobble (motion and heat transfer) is developed. The transient variation in the interfacial areas for heat transfer and the projected area were found to have effect on the predictions. The model and results will also provide useful basis for extending the work towards better understanding of direct contact heat transfer in viscous systems like polymerization reactors. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Bubble, Direct contact HT, Drobble, Drop, Evaporation, Slightly miscible liquids}, issn = {0009-2509}, doi = {10.1016/j.ces.2013.02.057}, author = {Kulkarni, Amol A. and Ranade, Vivek V.} } @article { ISI:000319645000009, title = {Direct synthesis of amides from amines using mesoporous Mn-SBA-12 and Mn-SBA-16 catalysts}, journal = {Catalysis Communications}, volume = {37}, year = {2013}, month = {JUL}, pages = {36-40}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Manganese incorporated SBA-12 and SBA-16 catalyze the tandem reaction of aliphatic primary amine, aerial oxygen and ammonia solution at moderate conditions producing amide in yields as high as 50 mol\%. The Mn-SBA-12 and Mn-SBA-16 catalysts with Si/Mn output molar ratio in the range 230 to 748 were prepared by the direct hydrothermal synthesis method and characterized. Weak acidity and Mn in +3 oxidation state are the key factors enable the synthesis of product amide in high yields. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Aerial oxidation, Amide synthesis, Benzyl amine, Manganese incorporated SBA-12 and SBA-16, Mesoporous Mn-silica catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2013.03.020}, author = {Kumar, Anuj and Nepak, Devadutta and Srinivas, Darbha} } @article { ISI:000315013200017, title = {Disordered mesoporous V/TiO2 system for ambient oxidation of sulfides to sulfoxides}, journal = {Applied Catalysis A-General}, volume = {452}, year = {2013}, month = {FEB}, pages = {132-138}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
High sulfide conversion and predominant sulfoxide yield has been observed with 0.1\% vanadium doped disordered mesoporous Ti1-xVxO2 material at ambient and sub ambient temperatures using environmentally green H2O2 oxidant. Ti1-xVxO2 materials were prepared by one-pot solution combustion method in less than 15 min and thoroughly characterized by X-ray diffraction, HRTEM, Raman spectra and other physicochemical techniques. Different sulfides, such as, phenylsulfide, methyl-p-tolylsulfide, ethylsulfide, thioanisole, were converted into the corresponding sulfoxide. Isolated V5+ incorporated in the TiO2 lattice is likely to be the active species for the sulfide oxidation reaction. Catalyst recycling studies indicates the robustness of the catalyst. (c) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Ambient oxidation, Combustion synthesis, heterogeneous catalysis, Hydrogen peroxide, Mesoporous TiO2, Sulfoxidation, Sulfoxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2012.11.035}, author = {Negi, Sanjay Singh and Sivaranjani, Kumarsrinivasan and Singh, Anand Pal and Gopinath, Chinnakonda S.} } @article { ISI:000318001400027, title = {Diverted total syntheses of potent cell adhesion inhibitor peribysin E analogues}, journal = {Organic Letters}, volume = {15}, number = {8}, year = {2013}, month = {APR}, pages = {1894-1897}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Preliminary results from a program aimed at the creation of a focused library of analogues around the natural product peribysin E, a potent biologically active and structurally fascinating molecule, are reported. The total synthesis of (+/-)-peribysin E was accomplished using a short route. Eight new analogues of the natural compound have been accomplished by means of {\textquoteleft}{\textquoteleft}diverted total synthesis{\textquoteright}{\textquoteright} in less than 10 steps. The present effort highlights protecting-group-free total syntheses and the shortest route to access these functionally embellished hydrindanes.
}, issn = {1523-7060}, doi = {10.1021/ol400555m}, author = {Handore, Kishor L. and Reddy, D. Srinivasa} } @article { ISI:000317349300004, title = {Do protic ionic liquids and water display analogous behavior in terms of hammett acidity function?}, journal = {Chemical Physics Letters}, volume = {566}, year = {2013}, month = {APR}, pages = {12-16}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We address an issue whether the strength of carboxylic acids in water is linear with respect to that in ionic liquids. Strength of carboxylic acids in water and different PILs using Hammett function (Ho) has revealed interesting linear correlation between the Ho function for all acids in PILs and PIL-water in spite of large structural and electronic differences. These observations suggest that different structural and electronic features of PILs and water behave analogously towards Ho. This linearity in Ho functions between PILs and PIL-water systems can be used to develop predictive method to calculate Ho values. (c) 2013 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2013.02.029}, author = {Shukla, Shashi Kant and Kumar, Anil} } @article { ISI:000326608500035, title = {Donor-acceptor random copolyesters containing perylenebisimide (PBI) and oligo(p-phenylene vinylene) (OPV) by melt condensation polymerization: energy transfer studies}, journal = {Journal of Physical Chemistry B}, volume = {117}, number = {43}, year = {2013}, month = {OCT}, pages = {13710-13722}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Novel copolyesters consisting of oligo(p-phenylene vinylene) (OPV) as donor (D) and perylenebisimide (PBI) as acceptor (A) were synthesized by melt polycondensation. Photoinduced energy transfer and photoinduced charge separation in these polyesters were studied in solution as well as in the solid state. Selective excitation of OPV moiety resulted in the energy transfer with \>90\% efficiency from OPV to PBI chromophore in the solution state. The direct excitation of PBI in the D A copolyester resulted in reduced fluorescence emission of acceptor, indicating electron transfer between the D and A moieties. The effect of distance between donor and acceptor on the energy transfer efficiency from donor to acceptor was studied. Compared to a physical mixture of D and A polyesters alone, the energy transfer was 4 times more efficient in the D A copolyester, highlighting the influence of covalently linking D and A in a single polymer chain. A strong fluorescence quenching (similar to 100\%) of both chromophores in solid state indicated an efficient photoinduced charge transfer after photoexcitation of either D or A. Thus, OPV-PBI main chain copolyester is an excellent system for the study of energy- and electron-transfer processes in organic semiconductor. Reactive blend of D/A copolyester was also prepared by the transesterification reaction between D and A alone copolyesters. The energy transfer efficiency from D to A moiety upon selective excitation of D chromophore in the D/A copolyester blend was similar to 4 times higher compared to a physical mixture of D and A alone copolyesters, which gave direct proof for the transesterification reaction in polyester/polyester reactive blending.
}, issn = {1520-6106}, doi = {10.1021/jp408355j}, author = {Nisha, S. Kumari and Asha, S. K.} } @article { ISI:000318901000001, title = {Draft genome of ochrobactrum intermedium strain M86 isolated from non-ulcer dyspeptic individual from India}, journal = {GUT Pathogens}, volume = {5}, year = {2013}, month = {APR}, pages = {7}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {
Background: Ochrobactrum intermedium is an emerging opportunistic pathogen of humans that is closely related to members of the genus Brucella. Earlier, we reported the case of an Indian subject with non-ulcer dyspeptic symptoms whose urease positive gastric biopsy revealed the presence of Helicobacter pylori along with non-Helicobacter like bacteria, eventually cultured and identified as O. intermedium strain M86. Results: Here, we describe the unclosed draft genome of the strain M86 with a length of 5,188,688 bp and mean G+C content of 57.9\%. We have also identified many putative gene clusters that might be responsible for its persistence in the gastric mucosa. Comparative analysis of genomic features of Ochrobactrum intermedium strain M86 and Ochrobactrum intermedium LMG 3301(T) was also done. Conclusions: This paper attempts to gain whole-genome based insights into the putative gene determinants of O. intermedium for survival in the highly acidic stomach lumen environment. Identification of genes putatively involved in the various metabolic pathways may lead to a better understanding of the survival of O. intermdedium in acidic condition.
}, issn = {1757-4749}, doi = {10.1186/1757-4749-5-7}, author = {Kulkarni, Girish and Dhotre, Dhiraj and Dharne, Mahesh S. and Shetty, Sudarshan and Chowdhury, Somak and Misra, Vatsala and Misra, Sriprakash and Patole, Milind and Shouche, Yogesh} } @article {43384, title = {Drug targets and biomarker identification from computational study of human notch signaling pathway}, journal = {Clinical and Experimental Pharmacology and Physiology}, volume = {3}, year = {2013}, month = {OCT}, abstract = {Notch signaling pathway is widely implicated in controlling various cellular functions, cell fate determination, and stem cell renewal in human but aberrant activity in cancer stem cells may cause different types of cancers. Understanding the complexity of this pathway to identify important targets for cancer therapy and to suppress the pathway activity without affecting the normal functions is of utmost importance to clinical and experimental pharmacologists. For developing therapeutic strategy, non availability of detailed molecular interactions, complex regulations and cross talks with other pathways pose a serious challenge to get a coherent understanding of this pathway. This motivated us to reconstruct the largest human cell specific Notch pathway with more number of molecules and interactions available from literatures and databases. To identify probable drug targets and biomarkers for cancer prognosis, we also performed computational study of the pathway using structural and logical analysis and identified important hub proteins, cross talks and feedback mechanisms. The model simulation is validated using reported mRNA expression profile in Glioblastoma cell line and the predictions not only show significant accuracy but also able to identify the undetermined expressions. From our simulation, to identify novel combinations of drug targetable proteins and better substitute for GAMMA SECRETASE inhibition, we proposed two alternative scenarios: partial suppression of Notch target proteins by NICD1 \& HIF1A; and complete suppression by NICD1 \& MAML, in Glioblastoma cell line. This reconstructed Notch signaling pathway and the computational analysis for identifying new biomarkers and combinatory drug targets will be useful for future in-vitro and in-vivo analysis to control different cancers}, doi = {10.4172/2161-1459.1000137}, author = {Chowdhury, Saikat and Sarkar, Ram Rup} } @article { ISI:000317909500043, title = {Dual action of BPC194: a membrane active peptide killing bacterial cells}, journal = {Plos One}, volume = {8}, number = {4}, year = {2013}, month = {APR}, pages = {e61541}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Membrane active peptides can perturb the lipid bilayer in several ways, such as poration and fusion of the target cell membrane, and thereby efficiently kill bacterial cells. We probe here the mechanistic basis of membrane poration and fusion caused by membrane-active, antimicrobial peptides. We show that the cyclic antimicrobial peptide, BPC194, inhibits growth of Gram-negative bacteria and ruptures the outer and inner membrane at the onset of killing, suggesting that not just poration is taking place at the cell envelope. To simplify the system and to better understand the mechanism of action, we performed Forster resonance energy transfer and cryogenic transmission electron microscopy studies in model membranes and show that the BPC194 causes fusion of vesicles. The fusogenic action is accompanied by leakage as probed by dual-color fluorescence burst analysis at a single liposome level. Atomistic molecular dynamics simulations reveal how the peptides are able to simultaneously perturb the membrane towards porated and fused states. We show that the cyclic antimicrobial peptides trigger both fusion and pore formation and that such large membrane perturbations have a similar mechanistic basis.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0061541}, author = {Moiset, Gemma and Cirac, Anna D. and Stuart, Marc C. A. and Marrink, Siewert-Jan and Sengupta, Durba and Poolman, Bert} } @article { ISI:000316451500010, title = {Easy and multigram-scale synthesis of pillar[5]quinone by the hypervalent iodine oxidation of 1,4-dimethoxypillar[5]arene}, journal = {Synthesis-Stuttgart}, volume = {45}, number = {7}, year = {2013}, month = {APR}, pages = {896-898}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Pillar[5]quinone (P[5]Q), a potential molecule for anion recognition and supramolecular host-guest chemistry, has not as yet been used for practical purposes, presumably due to the synthetic difficulties in obtaining it in large amounts. Herein, we reveal an easy-to-operate and chromatography-free synthetic strategy that can furnish P[5]Q on a multigram scale; its success relies on the utility of hypervalent iodine, generated in situ from Oxone/ iodobenzene, as an efficient oxidant. Pillar[5]quinone was obtained in multigram quantities by oxidation of 1,4-dimethoxypillar[5]arene with Oxone/iodobenzene and simple purification by crystallization from 1,1,2,2-tetrachloroethane, thus opening up the opportunity to explore the properties of this interesting macrocyclic quinone.
}, keywords = {hypervalent iodine oxidation, macromolecules, pillar-arenes, supramolecular chemistry}, issn = {0039-7881}, doi = {10.1055/s-0032-1318390}, author = {Shivakumar, Kilingaru I. and Sanjayan, Gangadhar J.} } @article { ISI:000323590200007, title = {Effect of carbon dioxide pressure on 4-t-butylphenol hydrogenation activity of supported rhodium catalyst}, journal = {Journal of the Japan Petroleum Institute}, volume = {56}, number = {3}, year = {2013}, month = {MAY}, pages = {165-170}, publisher = {JAPAN PETROLEUM INST}, address = {YOYU-KANDA BLDG. 4F, 1-8-4 KANDASUDA-CHO, CHIYODA-KU, TOKYO, 108-0041, JAPAN}, abstract = {
Hydrogenation of 4-t-butylphenol over an activated carbon-supported rhodium catalyst in carbon dioxide solvent was analyzed based on phase observation with a view cell and calculations of the solubility of 4-t-butylphenol using the Peng-Robinson equation of state as a function of carbon dioxide pressure. The reaction experiments showed that the initial reaction rate of 4-t-butylphenol at 313 K under 2 MPa of hydrogen pressure was increased by the addition of carbon dioxide, especially above a total pressure of 11 MPa. Direct visual observation showed that the solubility of 4-t-butylphenol increased with higher carbon dioxide pressure. The calculations based on the Peng-Robinson equation of state also showed that the solubility of 4-t-butylphenol in the 4-t-butylphenol carbon dioxide hydrogen (2 MPa) system at 313 K significantly increased by addition of carbon dioxide above a total pressure of 11 MPa. We concluded that the increase in the hydrogenation rates was caused by the increased concentration of 4-t-butylphenol substrate in the carbon dioxide solvent.
}, keywords = {4-t-Butylphenol hydrogenation, Carbon dioxide solvent, Peng-Robinson equation, Rhodium catalyst, Supercritical fluid}, issn = {1346-8804}, author = {Hiyoshi, Norihito and Sato, Osamu and Yamaguchi, Aritomo and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article { ISI:000311219900028, title = {Effect of cation distribution on structural and magnetic properties of Dy substituted magnesium ferrite}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {327}, year = {2013}, month = {FEB}, pages = {159-166}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Magnesium ferrite and dysprosium (Dy3+) substituted with composition MgDyxFe2-xO4 (x = 0.00-0.07) was prepared by solid state reaction technique. Spinel phase formation was identified using x-ray diffraction technique, thus establishing the cubic spinel symmetry. The morphology was seen through scanning electron microscopic technique, from where the grain size was calculated using average intercept line method. The elemental composition of pure and dysprosium substituted magnesium ferrite was calculated from energy dispersive x-ray analysis spectrum which is then correlated with the experimentally obtained values. Magnetic hysteresis loop of the various compositions establishes it to be soft ferrimagnetic material. The magnetic parameters such as saturation magnetization, coercivity, and retentivity were also calculated. Temperature dependence of saturation magnetization was done to find the Curie temperature of different compositions. (c) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Cation distribution, Curie temperature, Electron microscopy, Magnetization, Spinel ferrite}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2012.09.013}, author = {Bamzai, K. K. and Kour, Gurbinder and Kaur, Balwinder and Kulkarni, S. D.} } @article { ISI:000315306200009, title = {Effect of clay and of electrospinning on the polymorphism, structure and morphology of poly(vinylidene fluoride)}, journal = {European Polymer Journal}, volume = {49}, number = {1}, year = {2013}, month = {JAN}, pages = {90-99}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Electrospun poly(vinylidene fluoride) (PVDF) fibers, containing different amounts of montmorillonite clay were produced, in order to study the effect of clay and of the electrospinning process on the polymorphism, structure and morphology of the PVDF matrix, Clay acted as a processing aid agent, avoiding the formation of beads and improving the quality of the fibers. Clay and the electrospinning process acted synergically on the chain mobility, favoring the formation of beta phase of PVDF, the most valuable for its piezoelectric properties, and shaping its semicrystalline morphology. Electrospinning did not significantly aid the dispersion of clay within the matrix. The interplay of formulation and processing in these composites allowed to obtain PVDF-based materials with varying polymorphism, structure and morphology, offering the possibility to ultimately control their functional properties. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Composite, electrospinning, Poly(vinylidene fluoride), Polymer, polymorphism, SAXS}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2012.09.023}, author = {Neppalli, Ramesh and Wanjale, Santosh and Birajdar, Mallinath S. and Causin, Valerio} } @article { ISI:000320836600009, title = {Effect of different arginine methylations on the thermodynamics of tat peptide binding to HIV-1 TAR RNA}, journal = {Biochimie}, volume = {95}, number = {7}, year = {2013}, month = {JUL}, pages = {1422-1431}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
RNA-binding proteins are an important class of mediators that regulate cell function and differentiation. Methylation of arginine, a post-translational modification (PTM) found in these proteins, can modulate their function. Arginine can be monomethylated or dimethylated, depending on the type of methyl transferases involved. This paper describes a comparative study of the thermodynamics of unmodified and modified Tat peptide interaction with TAR RNA, where the peptide is methylated at epsilon (epsilon) and eta (eta) nitrogen atoms of guanidinium group of arginine side chain at position 52 or 53. The results indicate that monomethylation of arginine at epsilon (epsilon) nitrogen atom enhances binding affinity, owing to a more favourable enthalpy component which overrides the less favourable entropy change. In contrast, monomethylation of arginine residue at eta nitrogen results in reduced binding affinity originating exclusively from a less favourable enthalpy change leaving entropic component unaffected. However, in case of simultaneous methylation at epsilon and eta positions, the binding parameters remain almost unaffected, when compared to the unmodified peptide. In case of symmetric dimethylation at eta position the observed enthalpy change of the binding was found to be smaller than the values obtained for the unmodified peptide. Asymmetric dimethylation at eta position showed the most reduced binding affinities owing to less favourable enthalpy changes. These results provide insights that enable elucidation of the biological outcome of arginine methylation as PTMs that regulate protein function, and will contribute to our understanding of how these PTMs are established in vitro and in vivo. (C) 2013 Elsevier Masson SAS. All rights reserved.
}, keywords = {HIV-1, Post-translational modification, Protein methylation, RNA-protein interaction, Thermodynamics}, issn = {0300-9084}, doi = {10.1016/j.biochi.2013.03.008}, author = {Kumar, Santosh and Maiti, Souvik} } @article { ISI:000315548100030, title = {Effect of foulants on arsenic rejection via polyacrylonitrile ultrafiltration (UF) membrane}, journal = {Desalination}, volume = {309}, year = {2013}, month = {JAN}, pages = {243-246}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Arsenic rejection via modified polyacrylonitrile ultrafiltration (UF) membrane was found to be very high, however, the presence of commonly found foulants in arsenic solution affected membrane performance. The effect of commonly found foulants, such as ovalbumin, humic acid and egg white on arsenic rejection were studied. Experiments indicated that the As(V) rejection was affected by the total quantity of proteins and not the variety of proteins present in a solution. As(V) rejection was found to decrease with increasing proteins while fouling was found to increase from 25\% for 0.1 mg/ml to 33\% for 0.5 mg/ml egg white. The As(V) rejection was found to decrease with increasing concentration of humic acid for PAN membranes. Fouling studies showed that humic acid was a lesser foulant in comparison to egg white. However a combination of the two foulants led to a decrease in the overall fouling. pH was also found to be a very important factor for egg white dissolution and As(V) rejection. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Arsenic rejection, Egg white, Humic acid, Ovalbumin, Polyacrylonitrile, Ultrafiltration}, issn = {0011-9164}, doi = {10.1016/j.desal.2012.10.023}, author = {Agarwal, Gopal P. and Karan, Raj and Bharti, Sachin and Kumar, Hemant and Jhunjhunwala, Sumit and Sreekrishnan, T. R. and Kharul, Ulhas K.} } @article { ISI:000320640600005, title = {Effect of loops and G-quartets on the stability of RNA G-quadruplexes}, journal = {Journal of Physical Chemistry B}, volume = {117}, number = {23}, year = {2013}, month = {JUN}, pages = {6896-6905}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The loop length, loop composition, salt concentration, and number of G-quartets are major determinants of G-quadruplex stability. We examined the effect of each of these factors on the thermal stability and folding topology of a library of RNA quadruplexes. The thermal stability of G2 and G3 RNA quadruplexes was investigated upon varying the loop length (from 1-1-1 to 15-15-15) and salt concentration (from sequence 1 to 100 mM KCl), while the effect of loop composition was explored using 18 naturally occurring potential RNA quadruplexes predicted in untranslated regions (UTRs). We found loop length and quadruplex stability to be inversely related for G2 RNA quadruplexes and G3 RNA quadruplexes with shorter loops. However, melting temperature saturates for G3 RNA quadruplexes with longer loops. RNA G-quadruplexes with longer loops (G3 15-15-15) displayed T-m values significantly higher than the physiological temperature. This study thus highlights the need to modify the consensus motif presently used by quadruplex prediction tools. An increase in the loop size from 7 bases to IS bases in the consensus motif will add to its predictive value for the discovery of potential RNA quadruplexes across transcriptomes.
}, issn = {1520-6106}, doi = {10.1021/jp401739m}, author = {Pandey, Satyaprakash and Agarwala, Prachi and Maiti, Souvik} } @article { ISI:000326022200050, title = {Effect of N-acetylation and N-methylation of lysine residue of tat peptide on its interaction with HIV-1 TAR RNA}, journal = {Plos One}, volume = {8}, number = {10}, year = {2013}, month = {OCT}, pages = {UNSP e77595}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Post-translational modification (PTM) of RNA binding proteins (RBPs) play a very important role in determining their binding to cognate RNAs and therefore regulate the downstream effects. Lysine can undergo various PTMs and thereby contribute to the regulation of different cellular processes. It can be reversibly acetylated and methylated using a pool of respective enzymes, to act as a switch for controlling the binding efficiency of RBPs. Here we have delineated the thermodynamic and kinetic effects of N-acetylation and N-monomethylation of lysine on interaction between HIV-1 TAR RNA and its cognate binder Tat peptide (a model system). Our results indicate that acetylation of lysine 50 (K50), leads to eight-fold reduction in binding affinity, originating exclusively from entropy changes whereas, lysine 51 (K51) acetylation resulted only in three fold decrease with large enthalpy-entropy compensation. The measurement of kinetic parameters indicated major change (4.5 fold) in dissociation rate in case of K50 acetylation however, K51 acetylation showed similar effect on both association and dissociation rates. In contrast, lysine methylation did not affect the binding affinity of Tat peptide to TAR RNA at K50, nonetheless three fold enhancement in binding affinity was observed at K51 position. In spite of large enthalpy-entropy compensation, lysine methylation seems to have more pronounced position specific effect on the kinetic parameters. In case of K50 methylation, simultaneous increase was observed in the rate of association and dissociation leaving binding affinity unaffected. The increased binding affinity for methylated Tat at K51 stems from faster association rate with slightly slower dissociation rate.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0077595}, author = {Kumar, Santosh and Maiti, Souvik} } @article { ISI:000316637200009, title = {Effect of organic modification on the intercalation and the properties of poly(phenylene oxide)/polystyrene blend-clay nanocomposites}, journal = {Journal of Thermoplastic Composite Materials}, volume = {26}, number = {3}, year = {2013}, month = {APR}, pages = {392-415}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {
Nanocomposites prepared by the dispersion of unmodified and organically modified montmorillonite (MMT) clay into poly(2,6-dimethyl phenylene oxide)/polystyrene miscible blend in the range of 2-10 wt\% clay were investigated by wide-angle x-ray diffraction, transmission electron microscopy, differential scanning calorimetry, thermogravimetric analysis and tensile mechanical tests. The systems based on unmodified sodium MMT (Na+MMT) as well as Cloisite 20A, Cloisite 30B and Cloisite 10A organically modified clays showed polymer intercalation. The glass transition temperature (T-g) value was not affected by the volume fraction of clay and chemical nature of the organoclay. The thermal degradation stability of nanocomposites is found to be only slightly better than that of the blend matrix. A percolation threshold of around 4 wt\% organoclay loading is observed. An improvement of 35\% relative to unfilled polymer blend matrix is observed for the modulus, for Cloisite 20A nanocomposite containing 2 wt\% organoclay. The observed modulus improvement with significant retention of elongational tensile strength and tensile ductility in case of unmodified Na-MMT and Cloisite 30B nanocomposites appears promising. The modulus prediction using Halpin-Tsai model is found to be closer to the experimental data when MMT volume fraction rather than the organoclay volume fraction is used.
}, keywords = {filler, interface, interphase, mechanical properties, Nanostructures, Polymer-matrix composites}, issn = {0892-7057}, doi = {10.1177/0892705712439559}, author = {Tiwari, Rajkiran R. and Natarajan, Upendra} } @article { ISI:000319875500022, title = {Effect of phytase from aspergillus niger on plant growth and mineral assimilation in wheat (Triticum aestivum Linn.) and its potential for use as a soil amendment}, journal = {Journal of the Science of Food and Agriculture}, volume = {93}, number = {9}, year = {2013}, month = {JUL}, pages = {2242-2247}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Background Extensive use of non-replenishable phosphate reserves as phosphate supplements in agriculture and animal feed poses a threat for environmental pollution and necessitated a search for alternative phosphate sources. Unlocking the phytate phosphorus using microbial phytase can provide an ecofriendly solution in agriculture. The aim of the present work was to evaluate the effect of phytase from Aspergillus niger NCIM 563 in degradation of phytate phosphorus to benefit plant nutrition and soil amendment in comparison with chemical fertilizers. Results An enzyme dose of 12 IU was sufficient to hydrolyze phytate and increase assimilation of phosphorus by about 74\%. Phytase supplementation leads to increase in shoot:total length ratio by about 200\%, indicating its growth-promoting effect. Consistency in phytase-induced growth was reflected at pot and tray levels, wherein shoot:total length ratio was observed to be 2.01 and 2.12 respectively. Mineral assimilation due to phytase was more efficient as compared to chemical fertilizers, thus overcoming the constraints of practicability and economics in the agriculture industry. Phytase was efficient in reducing the phytic acid content of soil by about 30\% while simultaneously increasing the phytate phosphate availability by 1.18-fold. Conclusion Phytase from A. niger showed improvement in phytate phosphorus and mineral availability. Besides a plant growth-promoting effect, reduction in use of chemical fertilizers and soil improvement could be achieved simultaneously for maintaining the sustainability of agriculture. (c) 2012 Society of Chemical Industry
}, keywords = {mineral assimilation, Phytase, phytate degradation, plant growth promotion, soil amendment}, issn = {0022-5142}, doi = {10.1002/jsfa.6032}, author = {Gujar, Pradnya D. and Bhavsar, Kavita P. and Khire, Jayant Malhar} } @article { ISI:000315720000020, title = {Effect of the viscosity of poly(benzimidazole) on the performance of a multifunctional electrocatalyst with an ideal interfacial structure}, journal = {Journal of Materials Chemistry A}, volume = {1}, number = {13}, year = {2013}, month = {JAN}, pages = {4265-4276}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel electrocatalyst system with unique multifunctional characteristics, originated by the presence of a proton conducting polybenzimidazole (PBI-BuI) bound layer and electron conducting hollow carbon nanofibers (CNF) with catalytically active Pt nanoparticles, has been devised based on a simple strategy. This was achieved by decorating Pt nanoparticles along the inner cavity, as well as on the outer walls of the hollow CNF support (F-Pt). In a further extension, a low molecular weight PBI, synthesized by optimizing the experimental parameters, was incorporated into the inner cavity and along the outer surfaces of F-Pt. Excellent dispersion of the Pt nanoparticles was achieved by properly utilizing the available carbon surface results in improved electrocatalytic activity, while the CNF backbone ensures high electron conductivity as well. The polymer binder coverage formed along the inner and outer wall surfaces provides an efficient triple phase boundary (TPB) around the Pt nanoparticles to facilitate the electrode reactions. The amount and the viscosity of the PBI-BuI in the electrode material were systematically varied to study the influence on the electrochemical performance. Transmission electron microscopy analysis confirms PBI insertion into the tubular cavity of CNF. Pore size distribution analysis implies that both the viscosity and the amount of PBI-BuI have a pivotal role in defining the microstructure of the electrode. Electrochemical studies using cyclic voltammetry (CV) and rotating disc electrode (RDE) reveal the exceptionally high activity of this hybrid material with an improved electrochemically active area. The significant improvement for the oxygen reduction reaction is further confirmed by the single cell analysis also. The high power density displayed by the PBI-BuI based system, as compared to the Nafion based system, validates the conceptualization of the well controlled triple-phase boundary in the system. These results demonstrate that PBI-BuI has a constructive effect in tuning the electrochemical activity at an optimum amount and at a favourable viscosity of the proton conducting polymer.
}, issn = {2050-7488}, doi = {10.1039/c3ta00165b}, author = {Balan, Beena K. and Unni, Bipinlal and Chaudhari, Harshal D. and Kharul, Ulhas K. and Kurungot, Sreekumar} } @article { ISI:000317082100007, title = {Effective fragment potential method in Q-CHEM: a guide for users and developers}, journal = {Journal of Computational Chemistry}, volume = {34}, number = {12}, year = {2013}, month = {MAY}, pages = {1060-1070}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A detailed description of the implementation of the effective fragment potential (EFP) method in the Q-CHEM electronic structure package is presented. The Q-CHEM implementation interfaces EFP with standard quantum mechanical (QM) methods such as HartreeFock, density functional theory, perturbation theory, and coupled-cluster methods, as well as with methods for electronically excited and open-shell species, for example, configuration interaction, time-dependent density functional theory, and equation-of-motion coupled-cluster models. In addition to the QM/EFP functionality, a fragment-only feature is also available (when the system is described by effective fragments only). To aid further developments of the EFP methodology, a detailed description of the C++ classes and EFP module{\textquoteright}s workflow is presented. The EFP input structure and EFP job options are described. To assist setting up and performing EFP calculations, a collection of Perl service scripts is provided. The precomputed EFP parameters for standard fragments such as common solvents are stored in Q-CHEM{\textquoteright}s auxiliary library; they can be easily invoked, similar to specifying standard basis sets. The instructions for generating user-defined EFP parameters are given. Fragments positions can be specified by their center of mass coordinates and Euler angles. The interface with the IQMOL and WEBMO software is also described. (c) 2013 Wiley Periodicals, Inc.
}, keywords = {effective fragment potential, EFP library, hybrid QM, IQMOL, MM, modular code, nonempirical force field, Q-CHEM, WEBMO}, issn = {0192-8651}, doi = {10.1002/jcc.23223}, author = {Ghosh, Debashree and Kosenkov, Dmytro and Vanovschi, Vitalii and Flick, Joanna and Kaliman, Ilya and Shao, Yihan and Gilbert, Andrew T. B. and Krylov, Anna I. and Slipchenko, Lyudmila V.} } @article { ISI:000315936700014, title = {Efficient and stereoselective nitration of mono- and disubstituted olefins with AgNO2 and TEMPO}, journal = {Journal of the American Chemical Society}, volume = {135}, number = {9}, year = {2013}, month = {MAR}, pages = {3355-3358}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Nitroolefin is a common and versatile reagent. Its synthesis from olefin is generally limited by the formation of mixture of cis and trans compounds. Here we report that silver nitrite (AgNO2) along with TEMPO can promote the regio- and stereoselective nitration of a broad range of olefins. This work discloses a new and efficient approach wherein starting from olefin, nitroalkane radical formation and subsequent transformations lead to the desired nitroolefin in a stereoselective manner.
}, issn = {0002-7863}, doi = {10.1021/ja311942e}, author = {Maity, Soham and Manna, Srimanta and Rana, Sujoy and Naveen, Togati and Mallick, Arijit and Maiti, Debabrata} } @article { ISI:000320914200003, title = {Efficient bakers{\textquoteright} yeast-catalyzed multicomponent synthesis of -aminophosphonates in one pot}, journal = {Synthetic Communications}, volume = {43}, number = {19}, year = {2013}, month = {OCT}, pages = {2583-2589}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Utilizing bakers{\textquoteright} yeast (Saccharomyces cerevisiae) as a biocatalyst, synthesis of -aminophosphonates in one pot has been accomplished by the three-component reaction of an aldehyde, an amine, and diethyl phosphite in moderate to good yields under solvent-free reaction conditions. Supplemental materials are available for this article. Go to the publisher{\textquoteright}s online edition of Synthetic Communications (R) to view the free supplemental file.
}, keywords = {-aminophosphonates, aldehydes, amines, green chemistry, Saccharomyces cerevisiae, solvent-free conditions}, issn = {0039-7911}, doi = {10.1080/00397911.2012.721918}, author = {Bhattacharya, Asish K. and Mujahid, Mohammad} } @article { ISI:000326745100016, title = {Efficient, direct synthesis of dimethyl carbonate from CO2 using a solid, calcined zirconium phenylphosphonate phosphite catalyst}, journal = {RSC Advances}, volume = {3}, number = {46}, year = {2013}, month = {OCT}, pages = {23993-23996}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Direct synthesis of dimethyl carbonate (DMC) from CO2 and methanol with 100 mol\% selectivity using a solid, reusable, hydrophobic, calcined zirconium phenylphosphonate phosphite catalyst is reported for the first time. DMC yield as high as 26 mmol g(-1) catalyst correlated with the concentration of acid and base sites is obtained.
}, issn = {2046-2069}, doi = {10.1039/c3ra44368j}, author = {Unnikrishnan, Pulikkeel and Varhadi, Poonam and Srinivas, Darbha} } @article { ISI:000326320000017, title = {Efficient, stable, and reusable silicoaluminophosphate for the one-pot production of furfural from hemicellulose}, journal = {ACS Catalysis}, volume = {3}, number = {10}, year = {2013}, month = {OCT}, pages = {2299-2303}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Development of stable, reusable, and water tolerant solid acid catalysts in the conversion of polysaccharides to give value-added chemicals is vital because catalysts are prone to undergo morphological changes during the reactions With the anticipation that silicoaluminophosphate (SAPO) catalysts will have higher hydrothermal stability, those were synthesized, characterized, and employed in a one-pot conversion of hemicellulose. SAPO-44 catalyst at 170 degrees C within 8 h could give 63\% furfural yield with 88\% mass balance and showed similar activity up to at least 8 catalytic cycles. The morphological studies revealed that SAPO catalysts having hydrophilic characteristics are stable under reaction conditions.
}, keywords = {furfural, Hemicellulose, hydrophilicity, SAPO, water-tolerant catalyst, zeolite}, issn = {2155-5435}, doi = {10.1021/cs400495j}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI:000315209900016, title = {Electrochemical resolution of multiple redox events for graphene quantum dots}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {9}, year = {2013}, month = {JAN}, pages = {2482-2485}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {charging energy, differential pulse voltammetry, graphene, quantum dots, single-electron transfer}, issn = {1433-7851}, doi = {10.1002/anie.201208904}, author = {Shinde, Dhanraj B. and Pillai, Vijayamohanan K.} } @article { ISI:000322343100023, title = {Electron rich porous extended framework as a heterogeneous catalyst for Diels-Alder reactions}, journal = {Chemical Communications}, volume = {49}, number = {67}, year = {2013}, month = {JUN}, pages = {7439-7441}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An electron rich porous metal-organic framework (MOF) has been synthesized, which acts as an effective heterogeneous catalyst for Diels-Alder reactions through encapsulation of the reactants in confined nano-channels of the framework.
}, issn = {1359-7345}, doi = {10.1039/c3cc43681k}, author = {Gole, Bappaditya and Bar, Arun Kumar and Mallick, Arijit and Banerjee, Rahul and Mukherjee, Partha Sarathi} } @article { ISI:000315874200009, title = {Electronic transition dipole moments and dipole oscillator strengths within fock-space multi-reference coupled cluster framework: an efficient and novel approach}, journal = {Journal of Chemical Physics}, volume = {138}, number = {9}, year = {2013}, month = {MAR}, pages = {094108}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Within the Fock-space multi-reference coupled cluster framework, we have evaluated the electronic transition dipole moments, which determine absorption intensities. These depend on matrix elements between two different wave functions (e. g., ground state to the excited state). We present two different ways, to calculate these transition moments. In the first method, we construct the ground and excited state wave functions with the normal exponential ansatz of Fock-space coupled cluster method and then calculate the relevant off-diagonal matrix elements. In the second approach, we linearize the exponential form of the wave operator which will generate the left vector, by use of Lagrangian formulation. The right vector is obtained from the exponential ansatz. In order to relate the transition moments to oscillator strengths, excitation energies need to be evaluated. The excitation energies are obtained from the Fock-space multi-reference framework. The transition dipole moments of the ground to a few excited states, together with the oscillator strengths of a few molecules, are presented. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4793277]
}, issn = {0021-9606}, doi = {10.1063/1.4793277}, author = {Bhattacharya, Debarati and Vaval, Nayana and Pal, Sourav} } @article { ISI:000325642400017, title = {Electrophile induced branching cascade: a powerful approach to access various molecular scaffolds and their exploration as novel anti-mycobacterial agents}, journal = {Chemical Communications}, volume = {49}, number = {86}, year = {2013}, month = {SEP}, pages = {10109-10111}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein we report on the Electrophile Induced Branching Cascade (EIBC), a new technique to produce a variety of biologically important molecular scaffolds. Some compounds exhibit excellent activities against Mycobacterium smegmatis.
}, issn = {1359-7345}, doi = {10.1039/c3cc45289a}, author = {Patil, Nitin T. and Konala, Ashok and Sravanti, Sudha and Singh, Ashita and Ummanni, Ramesh and Sridhar, Balasubramanian} } @article { ISI:000326615100015, title = {Employing arynes in transition-metal-free monoarylation of aromatic tertiary amines}, journal = {Organic Letters}, volume = {15}, number = {21}, year = {2013}, month = {NOV}, pages = {5452-5455}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The highly monoselective N-arylation of aromatic tertiary amines using a transition-metal-free approach using arynes has been developed. The reaction afforded functionalized diaryl amines in moderate to excellent yield. High levels of functional group compatibility especially with halogen containing substrates, dyes and donor-acceptor systems, and high yields of products are the notable features of the present reaction.
}, issn = {1523-7060}, doi = {10.1021/ol4029258}, author = {Bhojgude, Sachin Suresh and Kaicharla, Trinadh and Biju, Akkattu T.} } @article { ISI:000325950600096, title = {Enantiodivergent routes to (+) and (-)-novioses from (-)-pantolactone}, journal = {RSC Advances}, volume = {3}, number = {43}, year = {2013}, month = {AUG}, pages = {20291-20297}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Noviose, a rare sugar moiety present in many biologically interesting molecules such as novobiocin and tiacumicin was obtained through formal synthesis in (+)- and (-)-forms starting from commercially available (-)-pantolactone in an enantiodivergent manner.
}, issn = {2046-2069}, doi = {10.1039/c3ra42891e}, author = {Rajesh, B. M. and Shinde, Madhuri V. and Kannan, M. and Srinivas, Gujjary and Iqbal, Javed and Reddy, D. Srinivasa} } @article { ISI:000321605900046, title = {Enantioselective total synthesis of desbromoarborescidines A-C and the formal synthesis of (S)-deplancheine}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {13}, year = {2013}, month = {JUL}, pages = {6802-6808}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Starting from Boc-protected tryptamine and (S)-tetrahydro-5-oxo-2-furancarboxylic acid, facile enantioselective total synthesis of desbromoarborescidines A-C and the formal synthesis of (S)-deplancheine have been accomplished via a common intermediate (S)-indolo[2,3-a]quinolizine. Synthesis of enantiomerically pure (S)-acetoxyglutarimide, stereoselective reductive intramolecular cyclization, hydroxyl group assisted in situ N-Boc-deprotection, selective deoxygenation, of the xanthate ester, and lactam hydrolysis followed by an appropriate exchange of nitrogen regioselectivity in intramolecular cyclization were the decisive steps.
}, issn = {0022-3263}, doi = {10.1021/jo401079v}, author = {Mondal, Pravat and N. P. Argade} } @article { ISI:000319405900025, title = {Engaging isatins in solvent-free, sterically congested passerini reaction}, journal = {Green Chemistry}, volume = {15}, number = {6}, year = {2013}, month = {APR}, pages = {1608-1614}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A facile, atom-economic and environmentally-benign protocol for the synthesis of biologically important oxindole derivatives in high yields has been demonstrated by employing isatins as carbonyl compound surrogates in a Passerini reaction carried out under solvent-free conditions. Moreover, electron-deficient phenols can also be used as the acid component in this reaction. In addition, the synthetic utility of the present methodology was examined by the one-pot synthesis of oxindoles with a free -OH group at the benzylic position.
}, issn = {1463-9262}, doi = {10.1039/c3gc40454d}, author = {Kaicharla, Trinadh and Yetra, Santhivardhana Reddy and Roy, Tony and Biju, Akkattu T.} } @article { ISI:000323644600048, title = {Enhanced dual-effect of adsorption and photodegradation of SiO2 embedded TiO2 hybrid catalyst for improved decolourization of methylene blue}, journal = {Water Air and Soil Pollution}, volume = {224}, number = {9}, year = {2013}, month = {SEP}, pages = {1726}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Dual-effects of adsorption and photodegradation over titania, silica embedded titania, silica and commercial Degussa P-25 samples were studied for the decolourization of methylene blue in aqueous medium. Silica embedded titania and silica were prepared using inexpensive polymeric version of ethyl silicate as a source of silica. Catalysts were characterized by X-ray diffraction, scanning electron microscopy, UV-Vis spectroscopy and low temperature (77 K) nitrogen adsorption measurements. Among all the catalysts, silica embedded titania has exhibited faster decolourization of methylene blue solution on account of the enhancement of adsorption followed by degradation. An amount of the catalyst and the initial dye concentration of MB solution were found to influence the decolourization activity. Compared to titania catalyst, silica embedded titania and Degussa P-25 have shown the red shift in their UV-Vis spectrum. The experimental data of the reaction fitted well to the pseudo first order kinetic model. In present studies, the adsorption mechanism for the decolourization of MB solution was found to be applicable for an intra particle diffusion model.
}, keywords = {Adsorption, kinetic model, Methylene blue, Photodegradation, Silica embedded titania}, issn = {0049-6979}, doi = {10.1007/s11270-013-1726-7}, author = {Sonar, Shilpa K. and Wagh, Reshma V. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Deshpande, Shilpa S. and Awate, Shobhana V.} } @article { ISI:000321481300045, title = {Enhanced electrochromic coloration in Ag nanoparticle decorated WO3 thin films}, journal = {Electrochimica Acta}, volume = {102}, year = {2013}, month = {JUL}, pages = {358-368}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
WO3/Ag composite thin films were prepared by microwave assisted sol-gel synthesis (MW-SGS) of WO3 followed by vacuum evaporation of Ag nanoparticles and their enhanced electrochromic coloration was investigated. The composition and morphology of WO3 thin films with different thickness of Ag layer obtained by vacuum evaporation were investigated. Distinct plasmon absorption bands of Ag nanoparticle thin films were obtained. The optical band gap energy of WO3/Ag films decreased with increasing the Ag layer thickness. The surface of these films has been examined using X-ray photoelectron spectroscopy (XPS) to gain information about the chemical states of species present at surfaces. Experimental results indicated that the conductivity of the films increased after surface modification by Ag layer. To investigate the origin of enhanced electrochromic absorption in optical properties, working electrode consisting of WO3/Ag thin film was used and observed the optical properties during electrochemical reaction. It was found that composite electrode shows enhancement in electrochromic properties in terms of optical modulation (Delta OD) and coloration efficiency (eta). (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Ag2WO4, CIE coordinates, Electrochromism, SPR, WO3/Ag composite thin films}, issn = {0013-4686}, doi = {10.1016/j.electacta.2013.03.123}, author = {Kharade, Rohini R. and Mali, Sawanta S. and Patil, Satish P. and Patil, Kashinath R. and Gang, Myong G. and Patil, Pramod S. and Kim, Jin H. and Bhosale, Popatrao N.} } @article {43230, title = {Enhanced field-emission behavior of layered MoS2 sheets}, journal = {Small}, volume = {9}, year = {2013}, month = {AUG}, pages = {2730-2734}, abstract = {Field emission studies are reported for the first time on layered MoS2 sheets at the base pressure of approximate to 1 x 10(-8) mbar. The turn-on field required to draw a field emission current density of 10 A/cm(2) is found to be 3.5 V/m for MoS2 sheets. The turn-on values are found to be significantly lower than the reported MoS2 nanoflowers, graphene, and carbon nanotube-based field emitters due to the high field enhancement factor (approximate to 1138) associated with nanometric sharp edges of MoS2 sheet emitter surface. The emission current-time plots show good stability over a period of 3 h. Owing to the low turn-on field and planar (sheetlike) structure, the MoS2 could be utilized for future vacuum microelectronics/nanoelectronic and flat panel display applications.}, doi = {10.1002/smll.201300002}, author = {Kashid, Ranjit V. and Late, Dattatray J. and Chou, Stanley S. and Huang, Yi-Kai and De, Mrinmoy and Joag, Dilip S. and More, Mahendra A. and Dravid, Vinayak P.} } @article { ISI:000323241100045, title = {Enhanced hole carrier transport due to increased intermolecular contacts in small molecule based field effect transistors}, journal = {ACS Applied Materials \& Interfaces}, volume = {5}, number = {15}, year = {2013}, month = {AUG}, pages = {7086-7093}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Small molecules and oligomers can be synthesized with very high purity and precise molecular weights, but they often do not form uniform thin films while processed from solution. Decreased intermolecular contacts between the small molecules are another disadvantage. To increase the intermolecular contacts in small molecules, we have chosen i-indigo, as one of the conjugated molecular units. The electron poor i-indigo has been connected with electron rich triphenylamine to synthesize a donor-acceptor-donor type small molecule. The propeller shaped triphenylamine helps to increase the solubility of the small molecule as well as isotropic charge transport. The intermolecular spacing between the molecules has been found to be low and did not vary as a function of thermal annealing. This implies that the intermolecular contacts between the small molecules are enhanced, and they do not vary as a function of thermal annealing. Organic field effect transistors (OFET) fabricated using a small molecule exhibited a hole carrier mobility (mu) of 0.3 cm(2)/(V s) before thermal annealing. A marginal increase in mu was observed upon thermal annealing at 150 degrees C, which has been attributed to changes in thin film morphology. The morphology of the thin films plays an important role in charge transport in addition to the intermolecular spacing that can be modulated with a judicious choice of the conjugated molecular unit.
}, keywords = {hole mobility, i-indigo, organic field effect transistor, quadrupole interaction, small molecules, triphenylamine}, issn = {1944-8244}, doi = {10.1021/am401379a}, author = {Dharmapurikar, Satej S. and Arulkashmir, Arulraj and Das, Chayanika and Muddellu, Pooja and Krishnamoorthy, Kothandam} } @article { ISI:000327410300055, title = {Enhancement of chemical stability and crystallinity in porphyrin-containing covalent organic frameworks by intramolecular hydrogen bonds}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {49}, year = {2013}, month = {DEC}, pages = {13052-13056}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {covalent organic frameworks, hydrogen bonds, mesoporous materials, porphyrinoids, tautomerism}, issn = {1433-7851}, doi = {10.1002/anie.201306775}, author = {Kandambeth, Sharath and Shinde, Digambar Balaji and Panda, Manas K. and Lukose, Binit and Heine, Thomas and Banerjee, Rahul} } @article { ISI:000327459400021, title = {Environmentally benign enhanced H-2 production from abundant copious waste H2S using size tuneable cubic bismuth (Bi-0) quantum dots-GeO2 glass photocatalyst under solar light}, journal = {Green Chemistry}, volume = {15}, number = {12}, year = {2013}, month = {OCT}, pages = {3459-3467}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Hydrogen sulfide is a copious gas produced in refineries (15-20\%) as well as billions of tons produced as a by-product in alkali industries. Selectively, only 5\% has been utilised for the Claus process to produce liquid sulfur and it is also well known for its uneconomical and environmental problems. Here, we have demonstrated a significant green approach for conversion of poisonous H2S into H-2 by stable cubic bismuth (Bi-0) quantum dot-glass nanosystems using solar light as the energy source. Previously, metal oxides and sulfides have been demonstrated as solar light photocatalysts. However, a unique bismuth quantum dot-glass nanosystem has been designed where cubic phase bismuth quantum dots of size 1-2 nm are grown in the germanate glass matrix successfully. The presence of bismuth (Bi-0) was confirmed by XRD, Raman, TEM and X-ray photoelectron spectroscopy (XPS). The glass nanosystem shows quantum confinement with variation of the band gap from 2.95-1.51 eV. Considering the broad absorption from visible to near IR, we used this glass nanosystem as a solar light active photocatalyst and hydrogen production with respect to the quantum confinement of bismuth (Bi-0) quantum dots has been demonstrated for the first time. The photocatalytic activity for hydrogen production using glass nano-systems having bismuth quantum dot sizes of 1-2 nm and 3-6 nm was measured under solar light and prima fascia observations revealed that the glass nanosystems with very small quantum dots (1-2 nm) showed enhanced hydrogen evolution (11 541 mu mol h(-1) g(-1)) from H2S. The hydrogen evolution obtained is much higher than for previously reported visible light active nanostructured sulfide/oxide or embedded glass nanosystems. The glass nanosystems were also used for water splitting and show evolution of hydrogen without any co-catalyst. It is noteworthy that the quantum dot-glass photocatalyst is highly stable and catalyst regeneration is quite easy and fast. Hence, the QD-bismuth-glass nanocomposites have significant advantages over normal nanosized powder catalysts. Such unique glass nanosystems will also have great potential in photonics and optoelectronic applications.
}, issn = {1463-9262}, doi = {10.1039/c3gc41940a}, author = {Apte, Sanjay K. and Garaje, Sunil N. and Naik, Sonali D. and Waichal, Rupali P. and Kale, Bharat B.} } @article { ISI:000320099400002, title = {Enzymatic degumming of silk with microbial proteases}, journal = {Journal of Natural Fibers}, volume = {10}, number = {2}, year = {2013}, month = {JAN}, pages = {98-111}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Degumming of Chinese bivoltine silk with alkaline proteases from various microbial sources was investigated and compared with commercial enzymes. Among the proteases tested, two fungal and two actinomycete proteases were promising, which showed weight loss similar to conventional method (19.58\% to 21.78\%). Conidiobolus brefeldianus and BOA-2 proteases were best enzymes, which showed weight loss similar to conventional method with low enzyme concentrations and in shorter time. No significant differences were found in tensile strength or elongation at break by enzymatic degumming indicating that there was no damage to the fiber. Scanning electron micrographs showed the sericin deposits were removed and the fibers were separated.
}, keywords = {Alkaline Protease, bivoltine, degumming, microbial, Silk, weight loss}, issn = {1544-0478}, doi = {10.1080/15440478.2012.761114}, author = {More, Shivaji V. and Khandelwal, Harish B. and Joseph, M. A. and Laxman, Ryali Seeta} } @article { ISI:000317558000024, title = {Epoxidation of styrene by t-butyl hydroperoxide over gold nanoparticles supported on Yb2O3: effect of gold deposition method, gold loading, and calcination temperature of the catalyst on its surface properties and catalytic performance}, journal = {Journal of Catalysis}, volume = {300}, year = {2013}, month = {APR}, pages = {217-224}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Surface properties and epoxidation performance of Au/Yb2O3 catalyst are influenced by the method of gold deposition [viz. deposition-precipitation (DP), homogeneous deposition-precipitation (HDP) or impregnation], gold loading (0.9-6.6 wt\%), and the catalyst calcination temperature (400-900 degrees C)]. The catalyst showed the best epoxidation performance when it was prepared by the HDP method and calcined at 500 degrees C. The Au/Yb2O3 catalyst even after calcination at 900 degrees C showed good activity and epoxide selectivity. Both Au-0 and Au3+ surface species were found in the catalyst calcined at 800 degrees C, but only Au-0 species were observed at the lower calcination temperatures (\<600 degrees C). The selectivity for styrene oxide increased continuously with the reaction temperature (from 75 degrees C to 97 degrees C) and time (1-5 h), indicating that styrene oxide did not undergo secondary reactions under these conditions. (C) 2013 Elsevier Inc. All rights reserved.
}, keywords = {Au/Yb2O3 catalyst, Epoxidation of styrene, gold nanoparticles, Styrene oxide, tert-Butyl hydroperoxide}, issn = {0021-9517}, doi = {10.1016/j.jcat.2013.01.002}, author = {Choudhary, Vasant R. and Dumbre, Deepa K. and Patil, N. S. and Uphade, B. S. and Bhargava, Suresh Kumar} } @article { ISI:000328182900006, title = {Ester vs. amide on folding: a case study with a 2-residue synthetic peptide}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {48}, year = {2013}, month = {DEC}, pages = {8348-8356}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Although known for their inferiority as hydrogen-bonding acceptors when compared to amides, esters are often found at the C-terminus of peptides and synthetic oligomers (foldamers), presumably due to the synthetic readiness with which they are obtained using protected peptide coupling, deploying amino acid esters at the C-terminus. When the H-bonding interactions deviate from regularity at the termini, peptide chains tend to {\textquoteleft}{\textquoteleft}fray apart{\textquoteright}{\textquoteright}. However, the individual contributions of C-terminal esters in causing peptide chain end-fraying goes often unnoticed, particularly due to diverse competing effects emanating from large peptide chains. Herein, we describe a striking case of a comparison of the individual contributions of C-terminal ester vs. amide carbonyl as a H-bonding acceptor in the folding of a peptide. A simple two-residue peptide fold has been used as a testing case to demonstrate that amide carbonyl is far superior to ester carbonyl in promoting peptide folding, alienating end-fraying. This finding would have a bearing on the fundamental understanding of the individual contributions of stabilizing/destabilizing non-covalent interactions in peptide folding.
}, issn = {1477-0520}, doi = {10.1039/c3ob41967c}, author = {Vijayadas, Kuruppanthara N. and Nair, Roshna V. and Gawade, Rupesh L. and Kotmale, Amol S. and Prabhakaran, Panchami and Gonnade, Rajesh G. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000314692400006, title = {Evaluation of ethanol production by a new isolate of yeast during fermentation in synthetic medium and sugarcane bagasse hemicellulosic hydrolysate}, journal = {Annals of Microbiology}, volume = {63}, number = {1}, year = {2013}, month = {MAR}, pages = {63-70}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
A new xylose fermenting yeast was isolated from over-ripe banana by enrichment in xylose-containing medium. The phylogenetic analysis of ITS1-5.8S-ITS2 region sequences of ribosomal RNA of isolate BY2 revealed that it shows affiliation to genus Pichia and clades with Pichia caribbica. In batch fermentation, Pichia strain BY2 fermented xylose, producing 15 g l(-1) ethanol from 30 g l(-1) xylose under shaking conditions at 28A degrees C, with ethanol yield of 0.5 g g(-1) and volumetric productivity of 0.31 g l(-1) h(-1). The optimum pH range for ethanol production from xylose by Pichia strain BY2 was 5-7. Pichia strain BY2 also produced 6.08 g l(-1) ethanol from 30 g l(-1) arabinose. Pichia strain BY2 can utilize sugarcane bagasse hemicellulose acid hydrolysate for alcohol production, efficiency of fermentation was improved by neutralization, and sequential use of activated charcoal adsorption method. Percent total sugar utilized and ethanol yield for the untreated hydrolysate was 17.14\% w/v and 0.33 g g(-1), respectively, compared with 66.79\% w/v and 0.45 g g(-1), respectively, for treated hemicellulose acid hydrolysate. This new yeast isolate showed ethanol yield of 0.45 g g(-1) and volumetric productivity of 0.33 g l(-1) h(-1) from sugarcane bagasse hemicellulose hydrolysate detoxified by neutralization and activated charcoal treatment, and has potential application in practical process of ethanol production from lignocellulosic hydrolysate.
}, keywords = {D-xylose, Ethanol, Pichia, Sugarcane bagasse hemicellulose}, issn = {1590-4261}, doi = {10.1007/s13213-012-0445-4}, author = {Hande, Aparna and Mahajan, Siddharth A. and Prabhune, Asmita} } @article {42806, title = {Evaluation of viability of halogen{\textbullet}{\textbullet}{\textbullet}O2N interactions: insight form crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups}, journal = {CrystEngComm}, volume = {15}, year = {2013}, month = {APR}, pages = {5283-5300}, abstract = {
A series of isomeric triaryl compounds with a modular positioning of the halogen and NO2 groups have been synthesized by the azide{\textendash}alkyne {\textquotedblleft}click reaction{\textquotedblright} and have been characterized by single crystal X-ray structure analysis. This isomeric series has provided an opportunity for understanding the efficiency of the bifurcated halogen...NO2 synthon in the organization of the molecules in the crystalline lattice. The changes in molecular conformation, crystal packing and supramolecular aggregation due to the change in the relative positioning of the complementary groups, halogen atom and the NO2 group on ring A and ring C respectively, have been discussed. All the isomers synthesized are crystalline and establish the triazole as a reliable linker for crystal engineering oriented molecular synthesis. The 2-NO2 derivatives display in general, a helical architecture and 3-NO2 derivatives exhibit a centrosymmetric dimeric assembly via the complementary C{\textendash}H...O interactions leading to either a helical or a 2-dimensional sheet pattern. The molecular organization in 4-NO2 derivatives revealed in general a 2D sheet pattern.
}, doi = {10.1039/C3CE40192H}, author = {Ramana, Chepuri V. and Goriya, Yogesh and Durugkar, Kulbhushan A. and Chatterjee, Soumitra and Krishnaswamy, Shobhana and Gonnade, Rajesh G.} } @article { ISI:000326116600039, title = {Evidence and characterization of dynamic heterogeneity in binary mixtures of phosphoric acid and benzimidazole}, journal = {Journal of Chemical Physics}, volume = {139}, number = {15}, year = {2013}, month = {OCT}, pages = {154701}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
We report here anomalous diffusions of components in mixtures of monomer of polybenzimidazole, i.e., 2-phenyl-1H, 1{\textquoteright}H-5,5{\textquoteright}-bibenzo[d] imidazole (BI) and phosphoric acid (PA) from molecular dynamics simulations. We have observed initial drop and further increase in self-diffusion constant for both monomer molecule (BI) and PA with gradual increase in PA concentration. The origin of such anomalous diffusion is identified in this work, which happens to be the presence of dynamic heterogeneity in each component of the binary mixture. We characterized microscopic picture of dynamical heterogeneity by finding correlation between dynamical heterogeneity and structural arrangement among the components of the binary system. Different types of H-bonding arrangements in the BI-PA systems at different concentration of PA are observed. The stability of the H-bonded network consisting of different types of H-bonds between BI and PA in the system has been studied by calculating the lifetime of various H-bonds. The results indicate that there are fast and slow moving PA molecules in the mixtures because of coexistence of different types of hydrogen bonds among the components of the mixture. (C) 2013 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4824767}, author = {Pahari, Swagata and Roy, Sudip} } @article { ISI:000327467000003, title = {Evolution and magnetic characteristics of NiO-Ni(OH)(2) core-shell nanostructures}, journal = {Physical Chemistry Chemical Physics}, volume = {15}, number = {48}, year = {2013}, month = {OCT}, pages = {20808-20812}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The evolution and magnetic behaviour of NiO-Ni(OH)(2) core-shell nanostructures with different thicknesses of the hydroxide shell have been studied. The nickel hydroxide shell is found to alter the magnetic characteristics of nickel oxide at low temperatures and explains the origin of the exchange bias effect due to the anti-ferromagnetic NiO core and a ferromagnetic nickel hydroxide shell.
}, issn = {1463-9076}, doi = {10.1039/c3cp53612b}, author = {Mahajan, Mangesh B. and Joy, Pattayil Alias} } @article { ISI:000326126000033, title = {Exclusion from hexagonal mesophase surfactant domains drives end-to-end enchainment of rod-like particles}, journal = {Journal of Physical Chemistry B}, volume = {117}, number = {41}, year = {2013}, month = {OCT}, pages = {12661-12668}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Anisotropic rod-like particles assemble end-to-end when the surfactant/water matrix in which they are dispersed is cooled from the isotropic to the lyotropic hexagonal phase. We demonstrate the formation of such end-to-end assemblies for gold nanorods, which are tens of nanometers in size, as well as for micrometer-sized ellipsoidal polystyrene particles. In both cases, the particles are well-dispersed in the low-viscosity surfactant/water phase above the isotropic-H-1 transition temperature. On cooling into the H-1 phase, mesophase domains form and the particles are expelled to the isotropic phase. As the H-1 domains grow and finally impinge, the particles are localized at the domain boundaries where they reorient and assemble end-to-end. Remarkably, we observe the formation of end-to-end assemblies of gold nanorods even for volume fractions as low as 2 x 10(-6) in the initially dispersed state. The extent of particle {\textquoteleft}{\textquoteleft}enchainment{\textquoteright}{\textquoteright} increases with the particle concentration and with the aspect ratio of the particles.
}, issn = {1520-6106}, doi = {10.1021/jp407403a}, author = {Sharma, Kamendra P. and Ganai, Anal Kumar and Sen, Debasis and Bhagavatula L. V. Prasad and Kumaraswamy, Guruswamy} } @article { ISI:000324927300004, title = {Expedient preparative isolation, quantification and characterization of limonoids from neem fruits}, journal = {Analytical Methods}, volume = {5}, number = {20}, year = {2013}, month = {AUG}, pages = {5386-5391}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Major basic limonoids from Neem fruits such as azadirone, epoxyazadiradione and azadiradione were isolated in preparative scale using an automated and rapid medium pressure liquid chromatography (MPLC)-based protocol. They were individually quantified using HPLC. An LC-ESI-MS/MS-based rapid identification technique was developed for the high-throughput screening of these limonoids in phytochemical extracts.
}, issn = {1759-9660}, doi = {10.1039/c3ay41136b}, author = {Haldar, Saikat and Phapale, Prasad B. and Kolet, Swati P. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000327467000009, title = {Exploring the effectiveness of different Lewis pair combinations in caged structures for the catalysis of ammonia borane dehydrogenation: a DFT study}, journal = {Physical Chemistry Chemical Physics}, volume = {15}, number = {48}, year = {2013}, month = {OCT}, pages = {20857-20867}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Zero dimensional cage structures containing four phenyl rings separated by imine linkers have recently been synthesized. In the current work, through a computational investigation using density functional theory (DFT), we demonstrate that modifying such cages by replacing the 2, 4, 6 carbon atoms in the phenyl rings to yield new rings, as well as replacing the imine moiety in the linker by other electronegative atoms, can yield interesting new cages that can be reactive in catalysing reactions such as the dehydrogenation of ammonia borane-an important reaction in hydrogen storage research. Specifically, it is predicted that phosphorus-nitrogen pairs (phosphorus in the 2, 4, 6 positions in the ring, nitrogen in the linker position), germanium-nitrogen and germanium-phosphorus pair combinations would lead to effective Lewis pairs that can work in tandem to dehydrogenate ammonia borane efficiently under room temperature conditions.
}, issn = {1463-9076}, doi = {10.1039/c3cp53557f}, author = {Pal, Amrita and Vanka, Kumar} } @article { ISI:000319006300007, title = {Extended coupled cluster through nth perturbation order for molecular response properties: a comparative study}, journal = {Chemical Physics}, volume = {417}, year = {2013}, month = {MAY}, pages = {45-51}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In this paper, we have presented and analyzed the extended coupled cluster (ECC) energy functional, truncated up to nth perturbation order in which expansion is limit to operators of the single and double excitations. The expression for the first order energy derivatives based on the above truncation schemes has been derived and numerically analyzed. We have done a comparative study for dipole moment in various perturbative ECC (n) methods (2 \<= n \<= 5) for three systems (HF, H2O and BH) at equilibrium geometry. We have particularly studied two variants of ECC (4) and ECC (5*) method for stretched geometry. We have analyzed the contribution of important terms present in ECC functional based on perturbative argument. We have compared our results with standard coupled cluster (CCSD) as well as cubic truncated ECC and also benchmarked with the full CI results wherever available. (c) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Dipole moment, Energy functional, Extended coupled cluster}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2013.03.012}, author = {Gupta, Jitendra and Manohar, Prashant Uday and Ghosh, Aryya and Vaval, Nayana and Pal, Sourav} } @article { ISI:000317836000016, title = {Extra- and intracellular gold nanoparticles synthesis using live peanut callus cells}, journal = {Current Nanoscience}, volume = {9}, number = {1}, year = {2013}, month = {FEB}, pages = {107-112}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
An important challenge of considerable topical significance in nanotechnology is the development of eco-friendly experimental processes for the synthesis of nanomaterials in large quantities with variable sizes, shapes and chemical compositions. Green synthesis routes for the production of inorganic metal nanoparticles using whole cell of microorganisms and plant extracts are gaining tremendous popularity as these are non-toxic, cheap and occur at ambient conditions. The present work emphasizes on gold nanoparticles synthesis protocol using live plant callus cells. Peanut callus cells when incubated with HAuCl4 solution in ambient conditions reduced the precursor and lead to formation of well dispersed, water soluble extracellular and intracellular gold nanoparticles within 24 hours. The biosynthesis of gold nanoparticles was monitored by UV-visible spectroscopy (UV-Vis) and further characterized by X-ray diffraction analysis (XRD), Energy Dispersive Spectroscopy (EDS) and Selected Area Electron Diffraction (SAED). The particle size distribution shows that the average particle size is 50 nm for extra-and 31 nm for intracellular gold nanoparticles. The nanoparticles may be stabilized by proteins secreted by callus cells. The reduction process is believed to occur enzymatically, thus creating the possibility of a rational, plant cell-based method for the synthesis of nanoparticles over a wide range of chemical compositions.
}, keywords = {Biosynthesis, callus, gold nanoparticles, live cells, Peanut, TEM}, issn = {1573-4137}, author = {Raju, D. and Mehta, Urmil J. and Ahmad, Absar} } @article { ISI:000317545600006, title = {Extracellular biosynthesis of CdTe quantum dots by the fungus fusarium oxysporum and their anti-bacterial activity}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {106}, year = {2013}, month = {APR}, pages = {41-47}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The growing demand for semiconductor [quantum dots (Q-dots)] nanoparticles has fuelled significant research in developing strategies for their synthesis and characterization. They are extensively investigated by the chemical route; on the other hand, use of microbial sources for biosynthesis witnessed the highly stable, water dispersible nanoparticles formation. Here we report, for the first time, an efficient fungal-mediated synthesis of highly fluorescent CdTe quantum dots at ambient conditions by the fungus Fusarium oxysporum when reacted with a mixture of CdCl2 and TeCl4. Characterization of these biosynthesized nanoparticles was carried out by different techniques such as Ultraviolet-visible (UV-Vis) spectroscopy, Photoluminescence (PL), X-ray Diffraction (XRD), X-ray Photoelectron spectroscopy (XPS), Transmission Electron Microscopy (TEM) and Fourier Transformed Infrared Spectroscopy (FTIR) analysis. CdTe nanoparticles shows antibacterial activity against Gram positive and Gram negative bacteria. The fungal based fabrication provides an economical, green chemistry approach for production of highly fluorescent CdTe quantum dots. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {antibacterial activity, Biosynthesis, CdTe, Fungus, Nanoparticles}, issn = {1386-1425}, doi = {10.1016/j.saa.2013.01.002}, author = {Syed, Asad and Ahmad, Absar} } @article {43363, title = {Extracellular biosynthesis of water dispersible, protein capped Mn5O8 nanoparticles using the fungus fusarium oxysporum and study of their magnetic behavior}, journal = {Journal of Nanoengineering and Nanomanufacturing}, volume = {3}, year = {2013}, month = {JUN}, pages = {91 - 97}, abstract = {
Nanomaterials of different sizes, shapes and compositions are being synthesized by various chemical, physical and biological routes. The pressing need of the hour is to have a synthesis protocol which does not harm the environment in any way and is inexpensive so that the benefits can be reaped by all. In this regard, the biological synthesis routes weigh over the chemical and physical ones which are toxic and expensive respectively. The biological routes occur at ambient conditions of temperature, pressure and pH and help protect the ecosystem as these do not employ any hazardous chemicals. Moreover, the nanoparticles obtained via biological routes are naturally protein capped which prevents their agglomeration and helps them retain their shape, size and stability for several months. One such important material is manganese oxide (Mn5O8) which at the nanoscale, has found good use in catalysis and as ionic conductors in fuel cells or batteries. The compound Mn5O8 exists in mixed valences of Mn2+ and Mn4+ and has drawn attention due to its antiferromagnetic nature. Here we report extracellular biosynthesis of manganese oxide (Mn5O8 nanoparticles in the size range of 10{\textendash}11 nm at room temperature by challenging the fungus Fusarium oxysporum with manganese (II) acetate tetrahydrate [(CH3CO2)2 Mn {\textperiodcentered} 4H2O] as precursor. The Mn5O8 nanoparticles so formed were characterized by TEM, XRD, FTIR, XPS, and TGA. Two mixed manganese ion valencies (Mn2+ and Mn4+) of Mn5O8 have been confirmed by XPS studies and antiferromagnetic transitions by magnetic measurements.
}, doi = {10.1166/jnan.2013.1125}, author = {Uddin, Imran and Poddar, Pankaj} } @article { ISI:000314149000005, title = {Facile one-pot reactive solution blending approach for main-chain donor-acceptor polymeric materials}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {51}, number = {3}, year = {2013}, month = {FEB}, pages = {509-524}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A high-temperature solution blending process has been used to synthesize a series of copolymers incorporating varying mole ratios of perylenebisimide (PBI) into the backbone of an engineering thermoplastic polyester [poly(1,4-cyclohexylenedimethylene-1,4-cyclohexanedicarboxylate)] (PCCD). A random donor-acceptor copolymer incorporating oligo(p-phenylene vinylene) (OPV) and PBI was also synthesized. The chemical incorporation of these chromophores into PCCD was confirmed by carrying out the melt condensation using 1,4-cyclohexanedimethanol and 1,4-dimethylcyclohexane dicarboxylate with hydroxyl-functionalized PBI and OPV derivatives. Higher extent of incorporation of PBI (35 mol \%) could be achieved using the blending approach retaining solubility, film-forming ability, and higher molecular weights. The PBI polymers produced using the two different approaches exhibited structural variations. The polymers formed from the solution blending approach had a semicrystalline nature with blocks of PCCD separating the PBI units, whereas those produced using the melt condensation route were amorphous polymers. This structural variation was reflected in their photophysical properties also with the reactive solution-blended polymers exhibiting higher fluorescence quantum yields. These results demonstrate the easy incorporation of suitably functionalized donor and acceptor moieties into a completely aliphatic polyester backbone to produce free-standing films of hitherto nonprocessable polymers. (C) 2012 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013, 51, 509-524
}, keywords = {blending, conjugated polymers, fluorescence, PCCD, Perylenebisimide, reactive blending, transesterification}, issn = {0887-624X}, doi = {10.1002/pola.26412}, author = {Nisha, S. Kumari and Asha, S. K.} } @article { ISI:000316812800023, title = {Facile strategy for synthesis of ,-heterobifunctionalized poly (epsilon-caprolactones) and poly (methyl methacrylate)s containing {\textquoteleft}{\textquoteleft}clickable{\textquoteright}{\textquoteright} aldehyde and allyloxy functional groups using initiator approach}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {51}, number = {9}, year = {2013}, month = {MAY}, pages = {2091-2103}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Two new initiators, namely, 4-(4-(2-(4-(allyloxy) phenyl)-5-hydroxypentane 2-yl) phenoxy)benzaldehyde and 4-(4-(allyloxy) phenyl)-4-(4-(4-formylphenoxy) phenyl) pentyl 2-bromo-2-methyl propanoate containing clickable hetero-functionalities namely aldehyde and allyloxy were synthesized starting from commercially available 4,4-bis(4-hydroxyphenyl) pentanoic acid. These initiators were utilized, respectively, for ring opening polymerization of epsilon-caprolactone and atom transfer radical polymerization of methyl methacrylate. Well-defined -aldehyde, -allyloxy heterobifunctionalized poly(epsilon-caprolactones) (Mn,GPC: 590029,000, PDI: 1.261.43) and poly(methyl methacrylate)s (Mn,GPC: 530028800, PDI: 1.191.25) were synthesized. The kinetic study of methyl methacrylate polymerization demonstrated controlled polymerization behavior. The presence of aldehyde and allyloxy functionality on polymers was confirmed by 1H NMR spectroscopy. Aldehyde-aminooxy and thiol-ene metal-free double click strategy was used to demonstrate reactivity of functional groups on polymers. (c) 2013 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013, 51, 2091-2103
}, keywords = {atom transfer radical polymerization, Click chemistry, functional polymers, ring opening polymerization}, issn = {0887-624X}, doi = {10.1002/pola.26598}, author = {Sane, Prakash S. and Tawade, Bhausaheb V. and Parmar, Indravadan and Kumari, Savita and Nagane, Samadhan and Wadgaonkar, Prakash P.} } @article { ISI:000314807800001, title = {Ferromagnetism in metal oxide systems: interfaces, dopants, and defects}, journal = {Journal of Materials Chemistry C}, volume = {1}, number = {8}, year = {2013}, month = {DEC}, pages = {1545-1557}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Ferromagnetism in metal oxide systems has always attracted scientific attention in view of the intriguing and interesting interplay of spin, charge, orbital and lattice degrees of freedom that such systems display. This trend appears to be continuing with enhanced focus on interface systems, multiferroics, diluted magnetic semiconducting oxides (DMSOs) and nanomaterial magnetism. Newer techniques are being applied to bring out materials issues that are critical to the precise understanding of the origin of magnetism in certain cases. Interest is also beginning to grow in exploring application potential of some such systems. In this article we review the developments in this field by late 2011 and 2012.
}, issn = {2050-7526}, doi = {10.1039/c2tc00172a}, author = {Thakare, Vishal P. and Game, Onkar S. and Ogale, Satishchandra B.} } @article { ISI:000314931900004, title = {Fine control of nanoparticle sizes and size distributions: temperature and ligand effects on the digestive ripening process}, journal = {Nanoscale}, volume = {5}, number = {5}, year = {2013}, month = {OCT}, pages = {1768-1771}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
It is demonstrated that a fine control over the size and size distribution of nanoparticles could be achieved using digestive ripening at different temperatures. Such variations in size and size distributions hugely influence the self-assembled processes in nanoparticles, and result in superlattice structures that are controlled by subtle interplay between ligand orientational entropy and their interdigitation and the van der Waals attraction between the metal cores.
}, issn = {2040-3364}, doi = {10.1039/c2nr32855k}, author = {Sahu, Puspanjali and Bhagavatula L. V. Prasad} } @article {42490, title = {First demonstration of two-step FRET in a synthetic supramolecular assembly}, journal = {Chemical Science}, volume = {4}, year = {2013}, month = {MAR}, pages = {2380-2386}, abstract = {
We report a trichromophoric pseudorotaxane (3NPC) that demonstrates a two-step FRET-based relay comprising of primary donor{\textendash}primary acceptor/secondary donor{\textendash}secondary acceptor pairs. To achieve this, naphthalene (1) and coumarin (3) were used as the primary donor and secondary acceptor, respectively; while pyrene (2 or T) unit, having spectral overlap with both 1 and 3, was used as the primary acceptor as well as the secondary donor. Results of time resolved and steady-state emission studies reveal that sequential resonance energy transfer (FRET 1 {\textrightarrow} 2 {\textrightarrow} 3) and direct resonance energy transfer (FRET 1 {\textrightarrow} 3) processes are operational simultaneously. In the sequential energy transfer process (1 {\textrightarrow} 2 {\textrightarrow} 3) of the triad system, pyrene acts as a transmitter and makes the whole supramolecular assembly behave as a linear energy transferring wire. Sensitised emission of the coumarin moiety, i.e. the secondary and eventual final acceptor, offers the possibility of evaluating the performance of this linear trichromophoric system by one and two-step FRET mechanisms. Formation of an interwoven complex between the host (NCC24O8) and the guest (T) components, utilizing various non-bonding interactions (intercomponent [N+{\textendash}H...O], [C{\textendash}H...O] and π{\textendash}π stacking interactions) has been confirmed by 1H NMR studies in solution and a single crystal X-structural study in the solid state. The formation constant (Kf = 2.31 {\texttimes} 103 M-1) for the [2]pseudorotaxane was evaluated using isothermal titration calorimetric studies. The complex gives rise to the first crystal structure of a self-assembled [2]pseudorotaxane that demonstrates sequential two-step FRET based energy transfer in a self-assembled triad that is held in an assembly through non-covalent interactions, such as hydrogen bonding and π{\textendash}π stacking.
}, doi = {10.1039/C3SC50282A}, author = {Suresh, Moorthy and Mandal, Amal Kumar and Suresh, E. and Das, Amitava} } @article { ISI:000328864800072, title = {First total synthesis of hunanamycin A}, journal = {Organic Letters}, volume = {15}, number = {17}, year = {2013}, month = {SEP}, pages = {4556-4559}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The first total synthesis of hunanamycin A, an antibiotic natural product with a pyrido[1,2,3-de]quinoxaline-2,3-dione core from a marine-derived Bacillus hunanensis, is disclosed. The present effort provides access to sufficient amounts of scarce hunanamycin A for further biological evaluation and confirmation of the assigned absolute configuration. In addition, four new analogues of the natural product are reported.
}, issn = {1523-7060}, doi = {10.1021/ol402110e}, author = {Shingare, Rahul D. and Velayudham, R. and Gawade, Jalindar R. and Reddy, D. Srinivasa} } @article { ISI:000317469700034, title = {Flow and heat transfer in serpentine channels}, journal = {Aiche Journal}, volume = {59}, number = {5}, year = {2013}, month = {MAY}, pages = {1814-1827}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Serpentine channels are often used in microchannel reactors and heat exchangers. These channels offer better mixing, higher heat and mass-transfer coefficients than straight channels. In the present work, flow and heat transfer experiments were carried out with a serpentine channel plate comprising of 10 units (single unit dimensions: 1 x 1.5 mm(2) in cross section, length 46.28 mm, D-h 1.2 mm) in series. Pressure drop and heat-transfer coefficients were experimentally measured. Flow and heat transfer in the experimental set-up were simulated using computational fluid dynamics (CFD) models to understand the mechanisms responsible for performance enhancement. The CFD methodology, thus, developed was applied to understand the effect of various geometrical parameters on heat transfer enhancement. A criterion was defined for evaluation of heat transfer performance (heat transfer per unit pumping power), thus, ensuring due considerations to required pumping power. The effect of geometrical parameters and the corresponding mechanisms contributing for enhancement are discussed briefly. Based on the results, a design map comprising different serpentine channels showing heat transfer enhancement with pumping power was developed for Reynolds number of 200 which will be useful for further work on flow and heat transfer in serpentine channels. (C) 2012 American Institute of Chemical Engineers AIChE J, 59: 1814-1827, 2013
}, keywords = {computational fluid dynamics, heat transfer, pressure drop, serpentine}, issn = {0001-1541}, doi = {10.1002/aic.13954}, author = {Karale, Chaitanya M. and Bhagwat, Sunil S. and Ranade, Vivek V.} } @article { ISI:000327812300097, title = {Fluorescent cross-linked polystyrene perylenebisimide/oligo(p-phenylenevinylene) microbeads with controlled particle size, tunable colors, and high solid state emission}, journal = {ACS Applied Materials \& Interfaces}, volume = {5}, number = {22}, year = {2013}, month = {NOV}, pages = {12205-12214}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A series fo cross-linked fluorescent polystyrene (PS) microbeads with narrow size distribution and intense solid state emission was developed. Fluorophores based on perylene bisimide (PBI) and oligo(p-phenylenevinylene) (OPV) designed as acrylic cross-linkers were introduced into the polymerization recipe in a twostage dispersion polymerization, carried out in ethanol in the presence of poly(vinylpyrrolidone) (PVP) as stabilizer. The structural design permitted introduction of up to 10(-5) moles of the fluorophores into the polymerization medium without fouling of the dispersion. The particle size measured using dynamic light scattering (DLS) indicated that they were nearly monodisperse with size in the range 2-3 mu m depending on the amount of fluorophore incorporated. Fluorescence microscope images of ethanol dispersion of the sample exhibited intense orange red emission for PS-PBI-X series and green emission for PS-OPV-X series. A PS incorporated with both OPVX and PBIX exhibited dual emission upon exciting at the OPV wavelength of 350 nm and PBI wavelength of 490 nm, respectively. The low incorporation of fluorophore resulted in almost complete absence of aggregation induced reduction in fluorescence as well as red-shifted aggregate emission. The solid state emission quantum yield measured using integrating-sphere setup indicated a very high quantum yield of phi(powder) = 0.71 for PSOPV-X and phi(powder) = 0.25 for PS-PBI-X series. The cross-linked PS microbeads incorporating both OPV and PBI chromophores had a phi(powder) = 0.33 for PBI emission and phi(powder) = 0.20 for OPV emission. This strategy of introducing fluorophore as crosslinkers into the PS backbone is very versatile and amenable to simultaneous addition of different suitably designed fluorophores emitting at different wavelengths.
}, keywords = {dispersion polymerization, dual emission, fluorescent cross-linker, oligo(p-phenylenevinylene), Perylenebisimide, solid state fluorescence}, issn = {1944-8244}, doi = {10.1021/am404354q}, author = {Sonawane, Swapnil L. and Asha, S. K.} } @article { ISI:000316691100012, title = {Fluorescent sophorolipid molecular assembly and its magnetic nanoparticle loading: a pulsed laser process}, journal = {Green Chemistry}, volume = {15}, number = {4}, year = {2013}, month = {JAN}, pages = {943-953}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report realization of strong green fluorescence in a fully biocompatible highly spherical mesoscale molecular assembly of sophorolipid created by pulsed UV laser processing of a water-based dispersion of sophorolipid. Remarkably, the said fluorescence is totally absent in the original molecule of sophorolipid and is thus the property of the pulsed laser induced modifications in the molecule and the assembly. We have separately examined the consequences of laser irradiation for glucose and oleic acid components which form the sophorolipid. This fluorescence character appears to be driven by the oleic acid component while the assembly process is assisted by the glucose component. Importantly the laser synthesized mesostructures can be easily redispersed in an aqueous medium after being dried and can also be loaded with magnetic nanoparticles (magnetite) for inducing the hyperthermia effect.
}, issn = {1463-9262}, doi = {10.1039/c3gc40108a}, author = {Singh, Pradeep Kumar and Mukherji, Ruchira and Joshi-Navare, Kasturi and Banerjee, Abhik and Gokhale, Rohan and Nagane, Satyawan and Prabhune, Asmita and Ogale, Satishchandra} } @article { ISI:000318538100003, title = {Fock space multireference coupled cluster theory: study of shape resonance}, journal = {International Journal of Quantum Chemistry}, volume = {113}, number = {12}, year = {2013}, month = {JUN}, pages = {1690-1695}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
The complex absorbing potential along with correlated independent particle potential (CIP) Fock space multireference coupled cluster method is used for the study of resonances. We have studied shape resonance of e(-) - F-2, e(-) - N2O and e(-) -CO molecules. In particular, we have studied e(-) - F-2 scattering at different bond lengths to know whether F-2(-) is bound at the equilibrium bond length of F-2. (C) 2013 Wiley Periodicals, Inc.
}, keywords = {correlated independent particle potential, Fock-space multireference coupled cluster theory, shape resonance}, issn = {0020-7608}, doi = {10.1002/qua.24387}, author = {Bhattacharya, Sumantra and Vaval, Nayana and Pal, Sourav} } @article {42701, title = {Formation of tertiary amides and H2 by dehydrogenative coupling of primary alcohols with secondary amines catalyzed by ruthenium bipyridine-based pincer complexes}, journal = {Advanced Synthesis \& Catalysis}, volume = {355}, year = {2013}, month = {SEP}, pages = {2525{\textendash}2530}, abstract = {
Dehydrogenative coupling of primary alcohols with secondary amines to form tertiary amides and dihydrogen (H2) is efficiently catalyzed by bipyridyl-based ruthenium pincer complexes (0.2{\textendash}1 mol\%) under neutral conditions (in case of the dearomatized complexes), or with added catalytic amount of base. The reaction is sensitive to steric hindrance; in the case of amidation of bulky secondary amines a less sterically hindered complex is more efficient. Selective acylation of primary amines in the presence of secondary amines was also demonstrated.
}, doi = {10.1002/adsc.201300620}, author = {Srimani, Dipankar and Balaraman, Ekambaram and Hu, Peng and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000314795300042, title = {Four 3D Cd(II)-based metal organic hybrids with different N,N {\textquoteleft}-donor spacers: syntheses, characterizations, and selective gas adsorption properties}, journal = {Crystal Growth \& Design}, volume = {13}, number = {2}, year = {2013}, month = {FEB}, pages = {731-739}, abstract = {
{Four new metal organic frameworks with bivalent cadmium, disodium succinate (Na(2)suc), and four different N,N{\textquoteright}-donor ligands, i.e., {[Cd(L1)(suc)]center dot(H2O)(3)}(n) (1), {[Cd(L2)(suc)]center dot(H2O)(2)\
}, author = {Bhattacharya, Biswajit and Dey, Rajdip and Pachfule, Pradip and Banerjee, Rahul and Ghoshal, Debajyoti} } @article { ISI:000316812000002, title = {Fractal nature of protein surface roughness: a note on quantification of change of surface roughness in active sites, before and after binding}, journal = {Journal of Molecular Recognition}, volume = {26}, number = {5}, year = {2013}, month = {MAY}, pages = {201-214}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Year 2010 marked the 25th year since we came to know that roughness of a protein surface has fractal symmetry. Ever since the publication of Lewis and Rees{\textquoteright} paper, hundreds of works from a spectrum of perspectives have established that fractal dimension (FD) can be considered as a reliable marker that describes roughness of protein surface objectively. In this article, we introduce readers to the fundamentals of fractals and present categorical biophysical and geometrical reasons as to why FD-based constructs can describe protein surface roughness more accurately. We then review the commonality (and the lack of it) between numerous approaches that have attempted to investigate protein surface with fractal measures, before exploring the patterns in the results that they have produced. Apart from presenting the genealogy of approaches and results, we present an analysis that quantifies the difference in surface roughness in stretches of protein surface containing the active site, before and after binding to ligands, to underline the utility of FD-based measures further. It has been found that surface stretches containing the active site, in general, undergo a significant increment in its roughness after binding. After presenting the entire repertoire of FD-based surface roughness studies, we talk about two yet-unexplored problems where application of FD-based techniques can help in deciphering underlying patterns of surface interactions. Finally, we list the limitations of FD-based constructs and put down several precautions that one must take while working with them. Copyright (c) 2013 John Wiley \& Sons, Ltd.
}, keywords = {active site roughness, fractal dimension, protein surface roughness, statistical self-similarity, van der Waals contacts}, issn = {0952-3499}, doi = {10.1002/jmr.2264}, author = {Banerji, Anirban and Navare, Charudatta} } @article { ISI:000319027400029, title = {Functional and disordered meso-macroporous gamma-Al2-xMxO3 +/- y (M = Cu and/or Ce)}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {13}, number = {4, SI}, year = {2013}, month = {APR}, pages = {2682-2688}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {Disordered meso-macro porous Cu-Ce-Al2O3 nanocomposite (gamma-Al2-xMxO3 +/- y, M = Cu and or Ce) with different compositions has been synthesized. In situ templated sol-gel method has been adopted with simple EDTA ethylenediamine tetra aceticacid and ethylenediamine molecules to prepare gamma-Al2-xMxO3 +/- y, (M = Cu and or Ce). Above meso-macro porous materials were characterized by structural, spectroscopy, microscopy and textural techniques. Detailed characterization indicates that Cu2+ ions are introduced into the ceria and alumina lattice positions. Nano composite nature of the gamma-Al2-xMxO3 +/- y has been confirmed by detailed microscopy investigations. Catalytic activity of the above nanocomposite materials have been screened for environmentally important CO oxidation reaction. 30\% Ce-60\% Al and 10\% Cu containing material shows the best activity among other meso-nnacroporous material with (50\%) 100\% CO oxidation at (107 degrees C) 145 degrees C.}, keywords = {Alumina, CO oxidation, heterogeneous catalysis, Meso-Macroporous Material, Nanocomposite, Sol-gel synthesis}, issn = {1533-4880}, doi = {10.1166/jnn.2013.7384}, author = {Gnanakumar, Edwin S. and John, Jino C. and Raja, Thirumalaiswamy and Gopinath, Chinnakonda S.} } @article { ISI:000313165500067, title = {Functional characterization, homology modeling and docking studies of beta-glucosidase responsible for bioactivation of cyanogenic hydroxynitrile glucosides from Leucaena leucocephala (subabul)}, journal = {Molecular Biology Reports}, volume = {40}, number = {2}, year = {2013}, month = {FEB}, pages = {1351-1363}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Glycosyl hydrolase family 1 beta-glucosidases are important enzymes that serve many diverse functions in plants including defense, whereby hydrolyzing the defensive compounds such as hydroxynitrile glucosides. A hydroxynitrile glucoside cleaving beta-glucosidase gene (Llbglu1) was isolated from Leucaena leucocephala, cloned into pET-28a (+) and expressed in E. coli BL21 (DE3) cells. The recombinant enzyme was purified by Ni-NTA affinity chromatography. The optimal temperature and pH for this beta-glucosidase were found to be 45 A degrees C and 4.8, respectively. The purified Llbglu1 enzyme hydrolyzed the synthetic glycosides, pNPGlucoside (pNPGlc) and pNPGalactoside (pNPGal). Also, the enzyme hydrolyzed amygdalin, a hydroxynitrile glycoside and a few of the tested flavonoid and isoflavonoid glucosides. The kinetic parameters K (m) and V (max) were found to be 38.59 mu M and 0.8237 mu M/mg/min for pNPGlc, whereas for pNPGal the values were observed as 1845 mu M and 0.1037 mu M/mg/min. In the present study, a three dimensional (3D) model of the Llbglu1 was built by MODELLER software to find out the substrate binding sites and the quality of the model was examined using the program PROCHEK. Docking studies indicated that conserved active site residues are Glu 199, Glu 413, His 153, Asn 198, Val 270, Asn 340, and Trp 462. Docking of rhodiocyanoside A with the modeled Llbglu1 resulted in a binding with free energy change (Delta G) of -5.52 kcal/mol on which basis rhodiocyanoside A could be considered as a potential substrate.
}, keywords = {Glycosyl hydrolase family 1, homology modeling, Leucaena leucocephala, Molecular docking}, issn = {0301-4851}, doi = {10.1007/s11033-012-2179-6}, author = {Shaik, Noor M. and Misra, Anurag and Singh, Somesh and Fatangare, Amol B. and Ramakumar, Suryanarayanarao and Rawal, Shuban K. and Khan, Bashir Mohammad} } @article { ISI:000319134800020, title = {Functional characterization of a flavonoid glycosyltransferase gene from withania somnifera (Ashwagandha)}, journal = {Applied Biochemistry and Biotechnology}, volume = {170}, number = {3}, year = {2013}, month = {JUN}, pages = {729-741}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
Glycosylation of flavonoids is mediated by family 1 uridine diphosphate (UDP)-dependent glycosyltransferases (UGTs). Until date, there are few reports on functionally characterized flavonoid glycosyltransferases from Withania somnifera. In this study, we cloned the glycosyltransferase gene from W. somnifera (UGT73A16) showing 85-92 \% homology with UGTs from other plants. UGT73A16 was expressed as a His(6)-tagged fusion protein in Escherichia coli. Several compounds, including flavonoids, were screened as potential substrates for UGT73A16. HPLC analysis and hypsochromic shift indicated that UGT73A16 transfers a glucose molecule to several different flavonoids. Based on kinetic parameters, UGT73A16 shows more catalytic efficiency towards naringenin. Here, we explored UGT73A16 of W. somnifera as whole cell catalyst in E. coli. We used flavonoids (genistein, apigenin, kaempferol, naringenin, biochanin A, and daidzein) as substrates for this study. More than 95 \% of the glucoside products were released into the medium, facilitating their isolation. Glycosylation of substrates occurred on the 7- and 3-hydroxyl group of the aglycone. UGT73A16 also displayed regiospecific glucosyl transfer activity towards 3-hydroxy flavone compound, which is the backbone of all flavonols and also for a chemically synthesized compound, not found naturally. The present study generates essential knowledge and molecular as well as biochemical tools that allow the verification of UGT73A16 in glycosylation.
}, keywords = {Flavonoid, glycosylation, Glycosyltransferase, Hypsochromic shift, Plant secondary product glycosyltransferase (PSPG), Withania somnifera}, issn = {0273-2289}, doi = {10.1007/s12010-013-0230-2}, author = {Singh, Somesh and Vishwakarma, Rishi. K. and Kumar, R. J. Santosh and Sonawane, Prashant D. and Ruby and Khan, Bashir Mohammad} } @article { ISI:000323669900005, title = {Functional characterization of a glucosyltransferase specific to flavonoid 7-O-glucosides from withania somnifera}, journal = {Plant Molecular Biology Reporter}, volume = {31}, number = {5}, year = {2013}, month = {OCT}, pages = {1100-1108}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Flavonoids are a large class of phenylpropanoid-derived secondary metabolites, which are usually glycosylated by UDP-glycosyltransferases with one or more sugar groups. Here, we report the cloning and biochemical characterization of a flavonoid glycosyltransferase gene from Withania somnifera (WsGT), which is an important medicinal plant used in Ayurvedic formulations. Using PCR primers, designed for a highly conserved region of previously reported glycosyltransferases, we were able to isolate the corresponding fragment of the WsGT gene. Rapid amplification of cDNA ends (RACE) was then employed to isolate full-length cDNA, which had an open reading frame of 1,371 bp that encode for 456 amino acids. Phylogenetic analysis indicated that WsGT was similar to that of family 1 GT-B glycosyltransferase. Biochemical analysis revealed that WsGT interacts with UDP-glucose and was capable of regiospecifically glycosylating flavonoid-7-ols, such as apigenin, naringenin, luteolin, diadzein and genistein. Expression profiling studies showed that WsGT was highly expressed in young and mature leaves of W. somnifera. Furthermore, exposure to salicylic acid enhanced the expression of WsGT in the leaves and heat shock treatment resulted in decreased expression of WsGT after an initial increase. This may suggest the role of WsGT in response to abiotic/biotic stresses.
}, keywords = {Diadzein, Flavonoids, Glycosyltransferase, Withania somnifera}, issn = {0735-9640}, doi = {10.1007/s11105-013-0573-4}, author = {Kumar, R. J. Santosh and Ruby and Singh, Somesh and Sonawane, Prashant D. and Vishwakarma, R. K. and Khan, Bashir Mohammad} } @article { ISI:000324265500024, title = {Functional nanoparticles obtained from cellulose: engineering the shape and size of 6-carboxycellulose}, journal = {Chemical Communications}, volume = {49}, number = {78}, year = {2013}, month = {AUG}, pages = {8818-8820}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Agricultural residue derived cellulose and cotton cellulose were used to synthesize quasi-spherical nanoparticles of 6-carboxycellulose having diameter 25-35 nm. This provides a new range of functionalized nanostructured celluloses with increased versatility and applications. The nanoparticles were efficient in stabilizing carbon nanotube dispersions and were effective anti-microbial agents against E. coli.
}, issn = {1359-7345}, doi = {10.1039/c3cc44551h}, author = {Sharma, Priyanka R. and Varma, Anjanikumar} } @article { ISI:000324077700076, title = {Fungus mediated synthesis of biomedically important cerium oxide nanoparticles}, journal = {Materials Research Bulletin}, volume = {48}, number = {10}, year = {2013}, month = {OCT}, pages = {4134-4138}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Nanomaterials can be synthesized by chemical, physical and the more recently discovered biological routes. The biological routes are advantageous over the chemical and physical ones as unlike these, the biological synthesis protocols occur at ambient conditions, are cheap, non-toxic and eco-friendly. Although purely biological and bioinspired methods for the synthesis of nanomaterials are environmentally benign and energy conserving processes, their true potential has not been explored yet and attempts are being made to extend the formation of technologically important nanoparticles using microorganisms like fungi. Though there have been reports on the biosynthesis of oxide nanoparticles by our group in the past, no attempts have been made to employ fungi for the synthesis of nanoparticles of rare earth metals or lanthanides. Here we report for the first time, the bin-inspired synthesis of biomedically important cerium oxide (CeO2) nanoparticles using the thermophilic fungus Humicola sp. The fungus Humicola sp. when exposed to aqueous solutions of oxide precursor cerium (III) nitrate hexahydrate (CeN3O9 center dot 6H(2)O) results in the extracellular formation of CeO2 nanoparticles containing Ce (III) and Ce (IV) mixed oxidation states, confirmed by X-ray Photoemission Spectroscopy (XPS). The formed nanoparticles are naturally capped by proteins secreted by the fungus and thus do not agglomerate, are highly stable, water dispersible and are highly fluorescent as well. The biosynthesized nanoparticles were characterized by UV-vis spectroscopy, Photoluminescence spectroscopy (PL), Transmission Electron Microscopy (TEM), Fourier Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD) and X-ray Photoemission Spectroscopy (XPS). (c) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Electron microscopy, Nanostuctures, Optical properties, Oxides, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2013.06.038}, author = {Khan, Shadab Ali and Ahmad, Absar} } @article {42636, title = {Gamma-glutamyl transferases: a structural, mechanistic and physiological perspective}, journal = {Frontiers in Biology}, volume = {9}, year = {2013}, month = {JAN}, pages = {51{\textendash}65}, abstract = {
Gamma glutamyl transferases (GGT) are highly conserved enzymes that occur from bacteria to humans. They remove terminal γ-glutamyl residue from peptides and amides. GGTs play an important role in the homeostasis of glutathione (a major cellular antioxidant) and in the detoxification of xenobiotics in mammals. They are implicated in diseases like diabetes, inflammation, neurodegenerative diseases and cardiovascular diseases. The physiological role of GGTs in bacteria is still unclear. Nothing is known about the basis for the strong conservation of the enzyme across the living system. The review focuses on the enzyme{\textquoteright}s physiology, chemistry and structural properties of the enzyme with emphasis on the evolutionary relationships. The available data indicate that the members of the GGT family share common structural features but are functionally heterogenous.
}, doi = {10.1007/s11515-014-1288-0}, author = {Balakrishna, Sharath and Prabhune, Asmita} } @article { ISI:000321541600039, title = {Gas-liquid flow and mass transfer in an advanced-flow reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {52}, number = {26}, year = {2013}, month = {JUL}, pages = {8996-9010}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Hydrodynamics and mass transfer of gas-liquid flow are explored under ambient conditions in an Advanced-Flow Reactor (AFR), an emerging commercial system designed for continuous manufacture. Carbon dioxide/water is the model system used in this study for a range of flow rates for gas and liquid of 5.6-103 mL/min and 10-80 mL/min, respectively. Bubble size distribution, gas holdup, specific interfacial area, pressure drop, and mass transfer coefficients are determined from flow visualization experiments and compared with conventional gas-liquid contactors. These variables are mainly influenced by the inlet flow rates and inlet composition. Average bubble sizes ((d) over bar (B)) of 0.9-3.8 mm, gas holdup (epsilon(G)) of 0.04-0.68, specific interfacial areas ((a) under bar) of 160-1300 m(2)/m(3), and overall mass transfer coefficients (k(L)(a) under bar) of 0.2-3 s(-1) were obtained for the vertical orientation of the AFR. Although effect of gravity is present for this system, no significant effect on the hydrodynamic properties was observed. The measured pressure drop for vertical orientation (3.6-53.4 kPa) was used to estimate power consumption, which is used as a metric to compare mass transfer efficiency among different gas-liquid contactors. A power law relationship was obtained for the overall mass transfer coefficients in terms of power input and gas holdup, given by kL (a) under bar = 0.101P(w)(0.443)epsilon(0.459)(G). The design of the AFR with a series of heart-shaped confined sections with obstacles enhances continuous breakup and coalescence of bubbles providing interfacial areas and mass transfer coefficients 1 order of magnitude larger than other gas-liquid contactors, such as bubble columns (50-600 m(2)/m(3); 0.005-0.24 s(-1)) and spray columns (75-170 m(2)/m(3); 0.015-0.022 s(-1)), and 1 order of magnitude smaller than gas-liquid microchannels (3400-9000 m(2)/m(3); 0.3-21 s(-1)) or falling film reactors (20,000 m(2)/m(3)).
}, issn = {0888-5885}, doi = {10.1021/ie4011707}, author = {Nieves-Remacha, Maria Jose and Kulkarni, Amol A. and Jensen, Klavs F.} } @article { ISI:000316759800020, title = {Genome-wide identification and characterization of microRNA genes and their targets in flax (Linum usitatissimum)}, journal = {Planta}, volume = {237}, number = {4}, year = {2013}, month = {APR}, pages = {1149-1161}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
MicroRNAs (miRNAs) are small (20-24 nucleotide long) endogenous regulatory RNAs that play important roles in plant growth and development. They regulate gene expression at the post-transcriptional level by translational repression or target degradation and gene silencing. In this study, we identified 116 conserved miRNAs belonging to 23 families from the flax (Linum usitatissimum L.) genome using a computational approach. The precursor miRNAs varied in length; while most of the mature miRNAs were 21 nucleotide long, intergenic and showed conserved signatures of RNA polymerase II transcripts in their upstream regions. Promoter region analysis of the flax miRNA genes indicated prevalence of MYB transcription factor binding sites. Four miRNA gene clusters containing members of three phylogenetic groups were identified. Further, 142 target genes were predicted for these miRNAs and most of these represent transcriptional regulators. The miRNA encoding genes were expressed in diverse tissues as determined by digital expression analysis as well as real-time PCR. The expression of fourteen miRNAs and nine target genes was independently validated using the quantitative reverse transcription PCR (qRT-PCR). This study suggests that a large number of conserved plant miRNAs are also found in flax and these may play important roles in growth and development of flax.
}, keywords = {Digital expression analysis, Gene cluster, Linseed, miRNA, MiRNA target transcript, Promoter analysis}, issn = {0032-0935}, doi = {10.1007/s00425-012-1833-5}, author = {Barvkar, Vitthal T. and Pardeshi, Varsha C. and Kale, Sandip M. and Qiu, Shuqing and Rollins, Meaghen and Datla, Raju and Gupta, Vidya S. and Kadoo, Narendra Y.} } @article { ISI:000316557400002, title = {Genome-wide identification and characterization of nucleotide binding site leucine-rich repeat genes in linseed reveal distinct patterns of gene structure}, journal = {Genome}, volume = {56}, number = {2}, year = {2013}, month = {FEB}, pages = {91-99}, publisher = {CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS}, address = {1200 MONTREAL ROAD, BUILDING M-55, OTTAWA, ON K1A 0R6, CANADA}, abstract = {
Plants employ different disease-resistance genes to detect pathogens and to induce defense responses. The largest class of these genes encodes proteins with nucleotide binding site (NBS) and leucine-rich repeat (LRR) domains. To identify the putative NBS-LRR encoding genes from linseed, we analyzed the recently published linseed genome sequence and identified 147 NBS-LRR genes. The NBS domain was used for phylogeny construction and these genes were classified into two well-known families, non-TIR (CNL) and TIR related (TNL), and formed eight clades in the neighbor-joining bootstrap tree. Eight different gene structures were observed among these genes. An unusual domain arrangement was observed in the TNL family members, predominantly in the TNL-5 clade members belonging to class D. About 12\% of the genes observed were linseed specific. The study indicated that the linseed genes probably have an ancient origin with few progenitor genes. Quantitative expression analysis of five genes showed inducible expression. The in silico expression evidence was obtained for a few of these genes, and the expression was not correlated with the presence of any particular regulatory element or with unusual domain arrangement in those genes. This study will help in understanding the evolution of these genes, the development of disease resistant varieties, and the mechanism of disease resistance in linseed.
}, keywords = {Flax, in silico gene expression, motif analysis, NBS-LRR, Phylogenetic analysis, Promoter analysis}, issn = {0831-2796}, doi = {10.1139/gen-2012-0135}, author = {Kale, Sandip M. and Pardeshi, Varsha C. and Barvkar, Vitthal T. and Gupta, Vidya S. and Kadoo, Narendra Y.} } @article { ISI:000326674800001, title = {GIAO/DFT studies on 1,2,4-triazole-5-thiones and their propargyl derivatives}, journal = {Magnetic Resonance in Chemistry}, volume = {51}, number = {12}, year = {2013}, month = {DEC}, pages = {767-774}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Density functional theory (DFT)/Becke-Lee-Yang-Parr (B3LYP) and gauge-including atomic orbital (GIAO) calculations were performed on a number of 1,2,4-triazole derivatives, and the optimized structural parameters were employed to ascertain the nature of their predominant tautomers. C-13 and N-15 NMR chemical shifts of 3-substituted 1,2,4-triazole-5-thiones and their propargylated derivatives were calculated via GIAO/DFT approach at the B3LYP level of theory with geometry optimization using a 6-311++G** basis set. A good agreement between theoretical and experimental C-13 and N-15 NMR chemical shifts could be found for the systems investigated. The data generated were useful in predicting N-15 chemical shifts of all the nitrogen atoms of the triazole ring, some of which could not be obtained in solution state N-15 HMBC/HSQC NMR measurements. The energy profile computed for the dipropargylated derivatives was found to follow the product distribution profile of regioisomers formed during propargylation of 1,2,4-triazole thiones. Copyright (c) 2013 John Wiley \& Sons, Ltd.
}, keywords = {1, 2, 4-triazole-5-thiones, C-13, DFT, GIAO, N-15, NMR, Regioisomers, tautomers}, issn = {0749-1581}, doi = {10.1002/mrc.4012}, author = {Phalgune, Usha D. and Vanka, Kumar and Rajamohanan, P. R.} } @article { ISI:000327259400008, title = {Glucose oxidase conjugated H2O2 sensitive CdTe QDs: an effective fluorescence tool for glucose sensing}, journal = {Journal of Materials Chemistry B}, volume = {1}, number = {47}, year = {2013}, month = {OCT}, pages = {6538-6543}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Water-soluble quantum dots (QDs) are extensively used for molecular sensing because of the flexibility they offer in terms of modification of the QDs surface with a variety of functional groups using thiol chemistry and monitoring by fluorescence intensity. We describe a simple assay that allows the photoluminescence (PL) detection of H2O2 and glucose in aqueous samples and demonstrate its applicability by estimating glucose in blood. To enable the glucose detection, we functionalized the 3-mercaptopropanoic acid (MPA) capped CdTe QDs with glucose oxidase (GOx), the enzyme specific to b-D-glucose, using carbodiimide chemistry. The fluorescence of the GOx-functionalized CdTe QDs was quenched on the interaction with glucose. The same photoluminescence quenching was also observed in gel form, when a GOx modified CdTe QDs loaded agarose gel was dipped in H2O2 and glucose solutions, respectively.
}, issn = {2050-750X}, doi = {10.1039/c3tb21164a}, author = {Singh, Pooja and Prabhune, Asmita and Ogale, Satishchandra B. and Guin, Debanjan} } @article { ISI:000313903700015, title = {Glycated proteome: from reaction to intervention}, journal = {Proteomics Clinical Applications}, volume = {7}, number = {1-2, SI}, year = {2013}, month = {JAN}, pages = {155-170}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Glycation, a nonenzymatic reaction between reducing sugars and proteins, is a proteome wide phenomenon, predominantly observed in diabetes due to hyperglycemia. Glycated proteome of plasma, kidney, lens, and brain are implicated in the pathogenesis of various diseases, including diabetic complications, neurodegenerative diseases, cancer, and aging. This review discusses the strategies to characterize protein glycation, its functional implications in different diseases, and intervention strategies to protect the deleterious effects of protein glycation.
}, keywords = {aging, Diabetes, Glycation, RAGE}, issn = {1862-8346}, doi = {10.1002/prca.201200101}, author = {Kulkarni, Mahesh J. and Korwar, Arvind M. and Mary, Sheon and Bhonsle, Hemangi S. and Giri, Ashok P.} } @article { ISI:000315746400035, title = {Glycolic acid functionalized chitosan-Au-Fe3O4 hybrid nanoparticle based nanohybrid scaffold for drug delivery}, journal = {International Journal of Biological Macromolecules}, volume = {54}, year = {2013}, month = {MAR}, pages = {244-249}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The research on biomedical applications of nanoparticles has seen an upsurge in recent years due to their unique capabilities in treatment of ailments. The present paper reports the synthesis of Au-Fe3O4 hybrid nanoparticles. The formation of these nanoparticles was confirmed by transmission electron microscopy (TEM) and physical property measurement system (PPMS). Next step of this paper reveals potential use of novel hybrid of chitosan-g-glycolic acid and Au-Fe3O4 hybrid nanoparticles in controlled drug delivery and tissue engineering applications. Grafting of glycolic acid and drug loading in porous scaffold was characterized by Fourier transform infrared spectroscopy. The nanohybrid scaffolds were found to be stable regardless of pH of the medium and play a key role in cell adhesion, proliferation and migration. Au-Fe3O4 hybrid nanoparticles reinforcement was found to control the drug (cyclophosphamide) release rate in phosphate buffer saline solution (pH 7.4). Therefore, Au-Fe3O4 hybrid nanoparticles are viable additive for formulating sustained drug delivery systems based on glycolic acid grafted chitosan. The cell proliferation profile also shows that prepared nanohybrid is biocompatible providing suitable substrates for tissue engineering. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Au-Fe3O4 hybrid nanoparticles, Chitosan Glycolic acid grafting, Drug delivery system, Physical property measurement system}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2012.12.001}, author = {Kumari, Sangeeta and Singh, Raj Pal} } @article { ISI:000312906000014, title = {Glycolic acid-functionalized chitosan-Co3O4-Fe3O4 hybrid magnetic nanoparticles-based nanohybrid scaffolds for drug-delivery and tissue engineering}, journal = {Journal of Materials Science}, volume = {48}, number = {4}, year = {2013}, month = {FEB}, pages = {1524-1532}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
In the present work, Co3O4 was prepared by hydrothermal process, which is further used for the synthesis of Co3O4-Fe3O4 hybrid nanoparticles. The formation of Co3O4-Fe3O4 nanoparticles was investigated by transmission electron microscopy and physical property measurement system. In the next step, the drug-loaded novel nanohybrid porous scaffold based on chitosan-g-glycolic acid and Co3O4-Fe3O4 nanoparticle was prepared by freeze drying technique. The grafting of glycolic acid on chitosan drug loading in porous scaffold was characterized by Fourier transform infrared spectroscopy. The nanohybrid scaffolds were found to be stable regardless of the pH of the medium and play an important role in cell adhesion, proliferation, and migration. Co3O4-Fe3O4 hybrid nanoparticles{\textquoteright} reinforcement was found to control the drug (cyclophosphamide) release rate in phosphate buffer saline solution (pH 7.4). Therefore, Co3O4-Fe3O4 hybrid nanoparticles are viable additives for formulating sustained drug delivery systems and could be applied in the field of biomaterials.
}, issn = {0022-2461}, doi = {10.1007/s10853-012-6907-z}, author = {Kumari, Sangeeta and Singh, Raj Pal} } @article { ISI:000315844500003, title = {G-quadruplex augments translation in the 5 {\textquoteleft} untranslated region of transforming growth factor beta 2}, journal = {Biochemistry}, volume = {52}, number = {9}, year = {2013}, month = {MAR}, pages = {1528-1538}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Transforming growth factor beta 2 (TGF beta 2) is a versatile cytokine with a prominent role in cell migration, invasion, cellular development, and immunomodulation. TGF beta 2 promotes the malignancy of tumors by inducing epithelial-mesenchymal transition, angiogenesis, and immunosuppression. As it is well-documented that nucleic acid secondary structure can regulate gene expression, we assessed whether any secondary motif regulates its expression at the post-transcriptional level. Bioinformatics analysis predicts an existence of a 23-nucleotide putative G-quadruplex sequence (PG4) in the 5{\textquoteright} untranslated region (UTR) of TGF beta 2 mRNA. The ability of this stretch of sequence to form a highly stable, intramolecular parallel quadruplex was demonstrated using ultraviolet and circular dichroism spectroscopy. Footprinting studies further validated its existence in the presence of a neighboring nucleotide sequence. Following structural characterization, we evaluated the biological relevance of this secondary motif using a dual luciferase assay. Although PG4 inhibits the expression of the reporter gene, its presence in the context of the entire 5{\textquoteright} UTR sequence interestingly enhances gene expression. Mutation or removal of the G-quadruplex sequence from the 5{\textquoteright} UTR of the gene diminished the level of expression of this gene at the translational level. Thus, here we highlight an activating role of the G-quadruplex in modulating gene expression of TGF beta 2 at the translational level and its potential to be used as a target for the development of therapeutics against cancer.
}, issn = {0006-2960}, doi = {10.1021/bi301365g}, author = {Agarwala, Prachi and Pandey, Satyaprakash and Mapa, Koyeli and Maiti, Souvik} } @article { ISI:000326292100005, title = {G-Quadruplexes as tools for synthetic biology}, journal = {Chembiochem}, volume = {14}, number = {16}, year = {2013}, month = {NOV}, pages = {2077-2081}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
With the potential to engineer biological systems, synthetic biology is an emerging field that combines various disciplines of sciences. It encompasses combinations of DNA, RNA and protein modules for constructing desired systems and the rewiring of existing signalling networks. Despite recent advances, this field still lags behind in the artificial reconstruction of cellular processes, and thus demands new modules and switches to create genetic circuits. The widely characterised noncanonical nucleic acid secondary structures, G-quadruplexes are promising candidates to be used as biological modules in synthetic biology. Structural plasticity and functional versatility are significant G-quadruplex traits for its integration into a biological system and for diverse applications in synthetic circuits.
}, keywords = {G-quadruplexes, ribozymes, synthetic biology, topology, zipcodes}, issn = {1439-4227}, doi = {10.1002/cbic.201300456}, author = {Agarwala, Prachi and Pandey, Satyaprakash and Maiti, Souvik} } @article { ISI:000317799700001, title = {Green synthesis of silver nanoparticles using sunlight}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {258}, year = {2013}, month = {APR}, pages = {1-9}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Silver nanoparticles (AgNPs) are currently among the most widely used man-made nanomaterials, present in a huge range of consumer products. Here we report a simple {\textquoteleft}green{\textquoteright} method of AgNP synthesis of using an anionic surfactant without use of any additional reducing agents. It was observed that synthesis of AgNPs at room temperature (25-35 degrees C) using sodium dodecyl sulphate (SDS) and sunlight. The nanoparticles have been characterised using high-resolution transmission electron spectroscopy (HRTEM), UV-vis spectrophotometry, X-ray photoelectron spectroscopy (XPS) and Fourier Transform Infrared Spectroscopy (FTIR) and are found to have an average diameter of 30 nm. The nanoparticles are water soluble and the nature of the process is amenable to scaling up. (c) 2013 Elsevier B.V. All rights reserved.
}, keywords = {photochemistry, silver nanoparticles, Sodium dodecyl sulphate, XPS}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2013.02.015}, author = {Bhaduri, Gaurav A. and Little, Ross and Khomane, Ramdas B. and Lokhande, Suhas U. and Kulkarni, Bhaskar D. and Mendis, Budhika G. and Siller, Lidija} } @article { ISI:000320121500042, title = {Growth of oriented single crystalline La-doped TiO2 nanorod arrays electrode and investigation of optoelectronic properties for enhanced photoelectrochemical activity}, journal = {RSC Advances}, volume = {3}, number = {26}, year = {2013}, month = {APR}, pages = {10363-10369}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Fabrication of single crystalline, oriented one-dimensional (1D) rods or wires of titania on transparent conducting oxide (TCO) substrates have enormous significance in the area of photoelectrochemical research owning to their unique optoelectronic properties. It is possible to modify the electrical conductivity and optoelectronic properties of titania by intentional inclusion of atomic impurity in the material. Here for the first time, we have doped lanthanum homogeneously in TiO2 nanorod arrays. The homogeneous distribution of lanthanum in titania lattice is confirmed by scanning transmission electron microscopy (STEM) elemental mapping and line scanning analysis. After doping with lanthanum, there is a negative shift of the flat-band potential of the TiO2 nanorods and the charge carrier density of the nanorods is also improved. The energy-conversion efficiency of a dye-sensitized solar cell based on 4 mol\% La-doped nanorods is increased about 21\% compared with the undoped one.
}, issn = {2046-2069}, doi = {10.1039/c3ra40746b}, author = {Sadhu, Subha and Poddar, Pankaj} } @article { ISI:000329552500027, title = {HBGS (hydrate based gas separation) process for carbon dioxide capture employing an unstirred reactor with cyclopentane}, journal = {Energy}, volume = {63}, year = {2013}, month = {DEC}, pages = {252-259}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The effect of CP (cyclopentane) as a promoter/additive, in the HBGS (hydrate based gas separation) process for pre-combustion gas mixture was investigated by employing an unstirred reactor configuration. Gas uptake measurements were performed at two different temperatures (275.7 K and 285.7 K) and at an experimental pressure of 6.0 MPa to determine the kinetics of hydrate formation. Experiments were conducted with three different volumes (7.5, 15 and 22 ml) of CP and based on induction time and the rate of hydrate growth, 15 ml of CP was determined to be the optimal volume for carbon dioxide capture at 6.0 MPa and 275.7 K. In addition, the effect of a kinetic promoter, SDS (sodium dodecyl sulfate), was investigated. Surprisingly, no improvement in kinetic performance was observed at 6.0 MPa and 275.7 K in the presence of SDS and CP. From the study, it was found that at the optimal 15 ml CP (CP layer thickness of 1.8 mm), the average composition of carbon dioxide in the hydrate phase was 90.36 mol\% with a separation factor of 17.82. Furthermore, the unstirred reactor also yielded better kinetic performance over the stirred tank reactor with the unstirred reactor having a 2.28 times higher average gas uptake. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon dioxide capture, Cyclopentane, Gas hydrates, Gas separation, Pre-combustion, Unstirred reactor}, issn = {0360-5442}, doi = {10.1016/j.energy.2013.10.031}, author = {Ho, Leong Chuan and Babu, Ponnivalavan and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000320640500033, title = {Heat transfer calculations for decomposition of structure i methane hydrates by molecular dynamics simulation}, journal = {Journal of Physical Chemistry C}, volume = {117}, number = {23}, year = {2013}, month = {JUN}, pages = {12172-12182}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Microcanonical ensemble molecular dynamics simulations of structure I methane hydrate is presented in this work to study the endothermic decomposition process. The mechanism of decomposition of methane hydrate as a function of time was explained at the molecular level. The initial temperature and pressure of the simulation were chosen so as to depict the natural gas hydrate in conditions of oceanic sediments. A more realistic strategy was developed to perform the microcanonical ensemble simulation of solid liquid interface of hydrate and amorphous water. Two water models, SPC/E and TIP4P, were used for the simulations, and the results of the simulations were compared. Heat transfer calculations were performed on the adiabatic system, and an attempt has been made to fit the MD simulation results to the heat balance equations derived from the heat transfer calculations. Estimates of the properties at the macroscopic scale, like the equilibrium temperature of methane hydrate and rate of supply of hot water for sustained release of methane from solid hydrate phase, were determined. The equilibrium temperature obtained by the above method was found to be in agreement with the experimentally observed value. Both the SPC/E and TIP4P water models gave similar results.
}, issn = {1932-7447}, doi = {10.1021/jp4023772}, author = {Baghel, Vikesh Singh and Kumar, Rajnish and Roy, Sudip} } @article { ISI:000316583700015, title = {Heterogeneous Co3O4 catalyst for selective oxidation of aqueous veratryl alcohol using molecular oxygen}, journal = {Catalysis Communications}, volume = {33}, year = {2013}, month = {MAR}, pages = {66-69}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nano-structured, spinel Co3O4 catalyst was developed for the aqueous phase oxidation of veratryl alcohol, which showed the highest conversion of 85\% with 96\% selectivity to veratryl aldehyde. The co-existence of Co3+ and Co2+ species in the octahedral and tetrahedral positions respectively, was confirmed by XPS, cyclic voltammogram, TPR and TPO characterization. The rod-like morphology of Co3O4 catalyst was confirmed by HRTEM. The effects of various reaction parameters namely, catalyst concentration, temperature and partial oxygen pressure on conversion and selectivity patterns were also studied for the oxidation of veratryl alcohol. This catalyst also showed an excellent stability as evidenced by successful reusability for three times. (C) 2012 Published by Elsevier B.V.
}, keywords = {Co3O4, Cyclic voltammogram, Liquid phase oxidation, Molecular oxygen, Veratryl alcohol, XPS}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.12.015}, author = {Mate, Vivek R. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article {42573, title = {Heterovalent cation substitutional doping for quantum dot homojunctions}, journal = {Nature Communications}, volume = {4}, year = {2013}, month = {DEC}, pages = {Article number: 2981}, abstract = {
Colloidal quantum dots have emerged as a material platform for low-cost high-performance optoelectronics. At the heart of optoelectronic devices lies the formation of a junction, which requires the intimate contact of n-type and p-type semiconductors. Doping in bulk semiconductors has been largely deployed for many decades, yet electronically active doping in quantum dots has remained a challenge and the demonstration of robust functional optoelectronic devices had thus far been elusive. Here we report an optoelectronic device, a quantum dot homojunction solar cell, based on heterovalent cation substitution. We used PbS quantum dots as a reference material, which is a p-type semiconductor, and we employed Bi-doping to transform it into an n-type semiconductor. We then combined the two layers into a homojunction device operating as a solar cell robustly under ambient air conditions with power conversion efficiency of 2.7\%.
}, doi = {10.1038/ncomms3981}, author = {Stavrinadis, Alexandros and Rath, Arup Kumar and Pelayo Garcia de Arquer, F. and Diedenhofen, Silke L. and Magen, Cesar and Martinez, Luis and So, David and Konstantatos, Gerasimos} } @article { ISI:000322587800006, title = {High efficiency electron field emission from protruded graphene oxide nanosheets supported on sharp silicon nanowires}, journal = {Journal of Materials Chemistry C}, volume = {1}, number = {33}, year = {2013}, month = {JUN}, pages = {5040-5046}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Graphene oxide (GO) potentially has applications in vacuum microelectronic devices for realization of field emission displays. Graphene and its derivatives are expected to be efficient field emitters due to their unique electrical properties. However, the flat sheet structure of graphene or GO allows electron field emission only from the edges of graphene and GO nanosheets. In order to extract maximum field emission current density at lower applied voltage from the GO nanosheets, we supported and stretched them on sharp tips of silicon nanowires (SiNWs). Highly efficient and stable field emission with low turn-on field was observed for these SiNW-GO heterostructures. The sharp protrusions created by stretching of the GO nanosheets on SiNWs locally enhance the electric field and thus enhance the field emission characteristics. The dominant use of silicon in electronic devices makes this approach robust for the development of field emission devices using graphene based field emitters.
}, issn = {2050-7526}, doi = {10.1039/c3tc30904e}, author = {Devarapalli, Rami Reddy and Kashid, Ranjit V. and Deshmukh, Ashvini B. and Sharma, Ponchami and Das, Manash R. and More, Mahendra A. and Shelke, Manjusha V.} } @article { ISI:000324099300024, title = {High magnetostriction coefficient of Mn substituted cobalt ferrite sintered from nanocrystalline powders and after magnetic field annealing}, journal = {Current Applied Physics}, volume = {13}, number = {8}, year = {2013}, month = {OCT}, pages = {1697-1701}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Magnetostriction characteristics of Mn substituted cobalt ferrite, CoFe2-xMnxO4 (0 \<= x \<= 0.3), sintered from nanocrystalline powders of average particle size of similar to 4 nm have been studied. Larger value of magnetostriction at lower magnetic field is achieved after substitution of Mn for Fe. The maximum value of magnetostriction coefficient is not much affected and the slope of the magnetostriction is increased with increasing Mn content. Higher maximum value of magnetostriction coefficient (lambda) of 234 ppm comparable to that of the unsubstituted composition with larger strain derivative (d lambda/dH) is obtained for x = 0.2 in CoFe2-xMnxO4. The magnetostriction coefficient is increased to 262 ppm with further enhancement in the strain derivative after annealing the sintered compact at 300 degrees C in a magnetic field of 400 kA/m for 30 min. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Cobalt ferrite, Magnetic field annealing, Magnetostriction, Mn substitution, Nanocrystalline}, issn = {1567-1739}, doi = {10.1016/j.cap.2013.06.030}, author = {Mohaideen, Kamal Khaja and Joy, Pattayil Alias} } @article { ISI:000323132100073, title = {Highly concise and practical route to clavaminols, sphinganine and (+)-spisulosine via indium mediated allylation of alpha-hydrazino aldehyde and a theoretical insight into the stereochemical aspects of the reaction}, journal = {RSC Advances}, volume = {3}, number = {35}, year = {2013}, month = {JUL}, pages = {15442-15448}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A conceptually different approach has been employed for the synthesis of 1,2-amino alcohols by proline-catalyzed alpha-amination of aldehyde and one-pot indium mediated allylation of the crude alpha-hydrazino aldehydes. DFT based quantum chemical calculations have been performed to obtain a quantitative explanation of the stereoselectivity of the reaction.
}, issn = {2046-2069}, doi = {10.1039/c3ra43048k}, author = {Pandey, Menaka and Chowdhury, Partha Sarathi and Dutta, Achintya Kumar and Kumar, Pradeep and Pal, Sourav} } @article { ISI:000316388900003, title = {Highly efficient catalyst derived from Ni-Fe-hydrotalcite for solvent-free O- or S-acetylation of alcohols, phenols and thiols at room temperature}, journal = {Proceedings of the National Academy of Sciences India Section A-Physical Sciences}, volume = {83}, number = {1}, year = {2013}, month = {MAR}, pages = {15-19}, publisher = {NATL ACAD SCIENCES INDIA}, address = {5 LAJPATRAI RD, ALLAHABAD 211002, INDIA}, abstract = {
Solvent-free O-acetylation of alcohols (including secondary and tertiary alcohols) and phenols and S- acetylation of thiols by acetyl chloride with high product yields at room temperature in a very short reaction period can be easily accomplished using a small amount of solid catalyst obtained from the decomposition (at 600 A degrees C) of Ni-Fe-hydrotalcite. Both the reactions are carried out at room temperature under solvent-free conditions. The catalyst can be easily separated from the reaction mixture, simply by filtration and reused several times without a significant loss of its activity.
}, keywords = {Acetyl chloride, Alcohols, Ni-Fe- ht derived catalyst, O- and S-acetylation, Phenols, Solvent-free}, issn = {0369-8203}, doi = {10.1007/s40010-013-0070-z}, author = {Choudhary, Vasant R.} } @article { ISI:000326900600016, title = {Highly efficient povidone-phosphotungstic acid catalyst for the tandem acetalization of aldehydes to bis- and tris(indolyl)methanes}, journal = {ChemPlusChem}, volume = {78}, number = {11}, year = {2013}, month = {NOV}, pages = {1393-1399}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A novel, nonleachable hybrid of heteropoly acid and polyvinylpyrrolidone (or povidone) catalyzes the acetalization of aldehydes in methanol at room temperature followed by reaction with indole to give bis(indolyl)methanes (BIMs) and tris(indolyl)methanes (TIMs) in quantitative yields (90-97\%). The catalyst was shown by pyridine FTIR spectroscopy to possess BrOnsted acidity, and the hybrid formation was confirmed by XRD and (PNMR)-P-31 studies. Friedel-Crafts alkylation of indole as well as the tandem synthesis of BIMs and TIMs were established with several types of carbonyl and indole substrates to give the corresponding products quantitatively. The catalyst was recycled efficiently for three successive runs without losing its original activity.
}, keywords = {acetals, Acidity, aldehydes, heterogeneous catalysis, heteropoly acids}, issn = {2192-6506}, doi = {10.1002/cplu.201300248}, author = {Kamble, Sumit B. and Swami, Rameshwar K. and Sakate, Sachin S. and Rode, Chandrashekhar V.} } @article { ISI:000323110700013, title = {Highly selective liquid-phase aerobic oxidation of vanillyl alcohol to vanillin on cobalt oxide (Co3O4) nanoparticles}, journal = {New Journal of Chemistry}, volume = {37}, number = {9}, year = {2013}, month = {JUN}, pages = {2669-2674}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Spinel Co3O4 nanoparticles prepared by solution phase method having particle size in the range of 12-20 nm exhibited excellent activity for the liquid-phase aerobic oxidation of vanillyl alcohol with 80\% conversion and 98\% selectivity to vanillin. Our catalyst could be reused three times without appreciable loss in activity. The catalytic activity of the Co3O4 nanoparticles was found to be similar to its homogenous precursor (cobalt acetate) and greater than the commercial Co3O4 oxide. The detailed characterization results of morphology, size and structure of the prepared Co3O4 nanoparticles obtained by XRD, FT-IR, H-2-TPR, HR-TEM and cyclic voltammetry technique were used to understand the roles of various Co species in directing the selectivity towards vanillin.
}, issn = {1144-0546}, doi = {10.1039/c3nj00508a}, author = {Jha, Ajay and Rode, Chandrashekhar V.} } @article { ISI:000327053200023, title = {High-resolution outgoing longwave radiation dataset from Kalpana-1 satellite during 2004-2012}, journal = {Current Science}, volume = {105}, number = {8}, year = {2013}, month = {OCT}, pages = {1124-1133}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Long record of high-resolution quality-controlled outgoing longwave radiation (OLR) from geostationary platforms like Kalpana-1 has the potential not only to provide detailed information of cloud types contributing to the measure of rain, but also helps unravel convective cloud organization in the tropics from small scale to meso- and synoptic scales. A research quality product of three hourly OLR for the period May 2004 June 2012 is produced from Kalpana-1 very high resolution radiometer (VHRR) radiances over the Indian region (40 degrees S-40 degrees N, 25-125 degrees E) in a regular grid of 0.25 x 0.25 degrees. The quality and usefulness of the dataset is demonstrated here using some illustrative examples. Although these data are available for a relatively short-period, it is shown that they will be potentially more useful than the widely used OLR from NOAA satellites in representing the annual cycles, particularly over the desert and humid oceans, due to their frequent sampling and quality. The active-break periods in the Indian summer monsoon picked up by both the OLR match well. This three hourly OLR estimated from Kalpana-1 VHRR is able to describe the fine-scale structure of the diurnal variation over the region.
}, keywords = {Active break periods, diurnal variation, geostationary platforms, outgoing longwave radiation}, issn = {0011-3891}, author = {Mahakur, M. and Prabhu, A. and Sharma, A. K. and Rao, V. R. and Senroy, S. and Singh, Randhir and Goswami, B. N.} } @article { ISI:000327071100001, title = {Hollow nanogold/meso-magnetite composite: pulsed laser synthesis, properties, and biosensing application}, journal = {Journal of Nanoparticle Research}, volume = {15}, number = {12}, year = {2013}, month = {NOV}, pages = {Article No. UNSP 2081}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A facile and template-free UV (Excimer) laser photolysis process is demonstrated to transform a Fe-complex into unique hollow Fe3O4 nanosphere morphology with each sphere having nanometric pores and an opening. Depending on the Fe-complex concentration and processing time interesting configurations are seen to evolve. When an identical process is applied to a mixture of Fe-complex and chloroauric acid an enthrallingly decorated Au-Fe3O4 nanostructure evolves, with Au nanoparticles surface-loaded on mesospheric Fe3O4. This room temperature process implemented under normal laboratory conditions is clearly versatile and applicable to heterojunction nanomaterials synthesis in a single-step process. The potential application of these gold-decorated magnetic nanostructures was also investigated for immuno-magnetic capture of E. coli in biosensing and these were found to be sensitive even below 1,000 cfu/ml. The test results demonstrate linear sensing response in the range of 10(3)-10(5) cfu/ml. We also show that these nanostructures can be used for simple electrical conductivity-based biosensing since they show dramatic conductivity change in a simple drop-cast test. A new laser-based approach to the synthesis of unique hollow sphere morphology of magnetite (Fe3O4) without and with Au nanoparticle decoration is presented. The potential application of these gold-decorated magnetic nanostructures was also investigated for immuno-magnetic capture of E. coli in biosensing and these were found to be sensitive even below 1,000 cfu/ml.
}, keywords = {E. coli cells, Fe-complex, Meso-magnetite, Nanobiotechnology, Nanocomposite, Pulse laser irradiation}, issn = {1388-0764}, doi = {10.1007/s11051-013-2081-8}, author = {Chaudhari, Nilima and Warule, Sambhaji and Agrawal, Shailaja and Thakare, Vishal and Jouen, Samuel and Hannoyer, Beatrice and Kale, Bharat and Paknikar, Kishore and Ogale, Satishchandra B.} } @article { ISI:000320042800001, title = {Host plant selection by larvae of the muga silk moth, antheraea assamensis, and the role of the antenna and maxillary palp}, journal = {Journal of Insect Science}, volume = {13}, year = {2013}, month = {JUN}, pages = {52}, publisher = {UNIV ARIZONA}, address = {LIBRARY C327, TUCSON, AZ 85721 USA}, abstract = {
The importance of olfactory senses in food preference in fifth instar larvae of Antheraea assamensis Helfer (Lepidoptera: Saturniidae) was examined by subjecting larvae with only antennae or maxillary palpi after microsurgery to food and odor choice tests. Mean percent consumption, total consumption, and choice indices were used as parameters for drawing conclusions. The foods used were two hosts, two non-hosts, and a neutral medium (water). Both antennae and maxillary palpi were fully competent in preference for host plants, Persea bombycina Kostermans (Laurales: Lauraceae) and Litsea polyantha Juss, over the non-hosts, Litsea grandifolia Teschner and Ziziphus jujuba Miller (Rosales: Rhamnaceae). Both were competent in rejecting the non-hosts, L. grandifolia and Z. jujuba. The odor choice test was carried out using a Y-tube olfactometer and showed similar results to the ingestive tests. The results indicate the necessity of functional integration of a combination of olfactory and gustatory sensilla present in different peripheral organs in food acceptance by A. assamensis larvae.
}, keywords = {food choice, maxillae, Y-tube olfactometer}, issn = {1536-2442}, author = {Bora, Dipsikha S. and Deka, Bhabesh and Sen, Avolikiteswar} } @article { ISI:000327805400022, title = {Human mitochondrial NDUFS3 protein bearing leigh syndrome mutation is more prone to aggregation than its wild-type}, journal = {Biochimie}, volume = {95}, number = {12}, year = {2013}, month = {DEC}, pages = {2392-2403}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
NDUFS3 is an integral subunit of the Q module of the mitochondrial respiratory Complex-I. The combined mutation (T145I + R199W) in the subunit is reported to cause optic atrophy and Leigh syndrome accompanied by severe Complex-I deficiency. In the present study, we have cloned and overexpressed the human NDUFS3 subunit and its double mutant in a soluble form in Escherichia coli. The wild-type (w-t) and mutant proteins were purified to homogeneity through a serial two-step chromatographic purification procedure of anion exchange followed by size exclusion chromatography. The integrity and purity of the purified proteins was confirmed by Western blot analysis and MALDI-TOF/TOF. The conformational transitions of the purified subunits were studied through steady state as well as time resolved fluorescence and CD spectroscopy under various denaturing conditions. The mutant protein showed altered polarity around tryptophan residues, changed quenching parameters and also noticeably altered secondary and tertiary structure compared to the w-t protein. Mutant also exhibited a higher tendency than the w-t protein for aggregation which was examined using fluorescent (Thioflavin-T) and spectroscopic (Congo red) dye binding techniques. The pH stability of the w-t and mutant proteins varied at extreme acidic pH and the molten globule like structure of w-t at pH1 was absent in case of the mutant protein. Both the w-t and mutant proteins showed multi-step thermal and Gdn-HCI induced unfolding. Thus, the results provide insight into the alterations of NDUFS3 protein structure caused by the mutations, affecting the overall integrity of the protein and finally leading to disruption of Complex-I assembly. (C) 2013 Elsevier Masson SAS. All rights reserved.
}, keywords = {Aggregation Fluorescence lifetime, Complex-I, Leigh syndrome, NDUFS3}, issn = {0300-9084}, doi = {10.1016/j.biochi.2013.08.032}, author = {Jaokar, Tulika M. and Patil, Deepak P. and Shouche, Yogesh S. and Gaikwad, Sushama M. and Suresh, C. G.} } @article { ISI:000317352000009, title = {Hydrate phase equilibrium of ternary gas mixtures containing carbon dioxide, hydrogen and propane}, journal = {Journal of Chemical Thermodynamics}, volume = {61}, year = {2013}, month = {JUN}, pages = {58-63}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {
Hydrate phase equilibrium of the ternary guest mixtures containing carbon dioxide, hydrogen and propane at two different compositions were determined. Addition of mole composition of 2.5\% propane to the fuel gas (CO2 (40\%)/H-2 (60\%)) mixture reduces the hydrate formation conditions by 66\% at the temperature of 278.4 K. A Clausius-Clapeyron plot for the experimental results was plotted and from the slope, the enthalpy of hydrate dissociation was calculated. The enthalpy of dissociation of the mixed hydrate formed from a ternary gas mixture containing mole composition 38.1\% CO2, 59.4\% H-2 and 2.5\% C3H8 was found to be 110 kJ.mol(-1) and hence it was concluded that the mixed hydrate formed structure II (sII) hydrates. Whereas for the ternary gas mixture containing mole composition 80.0\% CO2, 18.8\% H-2, and 1.2\% C3H8, the enthalpy of dissociation of the mixed hydrate was found to be 78 kJ.mol(-1) and hence we believe the mixed hydrate formed structure I (sI) hydrate. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon dioxide capture, Gas hydrates, Global warming, Phase equilibrium, Pre-combustion, Thermodynamics}, issn = {0021-9614}, doi = {10.1016/j.jct.2013.02.003}, author = {Babu, Ponnivalavan and Yang, Ting and Veluswamy, Hari Prakash and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000315616400005, title = {Hydrogen generation with CO2 utilization: a solvay cluster study}, journal = {International Journal of Hydrogen Energy}, volume = {38}, number = {6}, year = {2013}, month = {FEB}, pages = {2624-2633}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The fuel cell economy is yet to start research programs in hydrogen generation with CO2 utilization for hydrocarbon reforming processes used in fuel processor applications. A simple thermodynamic study using solvay clusters was done to investigate the feasibility of using the carbon species produced in the steam methane reforming process to produce value added chemicals. The results of this study are highly encouraging to start process development of closed systems of hydrogen generation with CO2 conversion to acetic acid/acrylic acid making easier the commercialization of fuel cells and hydrogen energy. Such studies can be specifically carried out for different fuel processor systems. Copyright (C) 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {CO2 utilization, Fuel processing, Gibbs energy, Solvay clusters, Steam reforming}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2012.11.129}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D.} } @article { ISI:000328437200053, title = {Hydrolytic conversion of a metal-organic polyhedron into a metal-organic framework}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {51}, year = {2013}, month = {DEC}, pages = {13755-13759}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {cage compounds, crystal engineering, hydrophobic effect, metal-organic frameworks, Self-assembly}, issn = {1433-7851}, doi = {10.1002/anie.201307486}, author = {Mallick, Arijit and Garai, Bikash and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000317399600014, title = {Hydrophobic and hydrophilic balance and its effect on mesophase behaviour in hydroxyalkyl ethers of methyl glucopyranoside}, journal = {Chemistry-A European Journal}, volume = {19}, number = {16}, year = {2013}, month = {APR}, pages = {5041-5049}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Four series of monosubstituted methyl -D-glucopyranoside hydroxyalkyl ethers were prepared and their thermotropic and lyotropic self-organising properties were investigated in terms of the hydrophobichydrophilic balance with respect to their molecular structures. The results obtained lead us to a new understanding of the forces that drive the formation of condensed soft-matter phases.
}, keywords = {carbohydrates, liquid crystals, mesophases, Self-assembly, soft matter}, issn = {0947-6539}, doi = {10.1002/chem.201202933}, author = {Singh, Madan K. and Xu, Rui and Moebs, Sylvie and Kumar, Anil and Queneau, Yves and Cowling, Stephen J. and Goodby, John W.} } @article { ISI:000318939700024, title = {Hydroxyapatite supported palladium catalysts for suzuki-miyaura cross-coupling reaction in aqueous medium}, journal = {Catalysis Science \& Technology}, volume = {3}, number = {6}, year = {2013}, month = {MAR}, pages = {1625-1633}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Supported palladium catalyst 1 has been prepared by the immobilisation of [Pd(COD)Cl-2] (COD = 1,5-cyclooctadiene) on hydroxyapatite. Catalyst 2 has been prepared by subsequent reduction of catalyst 1 with sodium borohydride in ethanol. Under similar reaction conditions, catalyst 1 with Pd2+, is found to be almost five times more active than 2. Using 1 as the catalyst and water as the solvent, reaction conditions for Suzuki-Miyaura cross-coupling reactions have been optimised under aerobic conditions. The best catalytic activities are observed in the presence of potassium carbonate as the base and tetrabutylammonium bromide as a promoter. Catalyst 1 has been tested for catalytic cross-coupling reactions with sixteen different, electronically neutral, electron rich, electron poor and sterically hindered aryl boronic acids, and several different aryl halides including aryl chlorides. More than thousand turnovers and high selectivities to the hetero-coupled products have been observed in most cases. For many substrates the turnovers with 1 are notably more than what has been reported with other supported catalysts in water. The recyclability and scale-up potential of catalyst 1 have been tested and found to be satisfactory. A negligible drop in activity is observed over ten recycles with an accumulated turnover number of similar to 30000.
}, issn = {2044-4753}, doi = {10.1039/c3cy00160a}, author = {Indra, Arindam and Gopinath, Chinnakonda S. and Bhaduri, Sumit and Lahiri, Goutam Kumar} } @article { ISI:000209475700357, title = {Hydroxyl radical generation in mycobacterial cell is an essential process for breaking dormancy and maintenance of active state by stepwise metabolic shift}, journal = {Free Radical Biology and Medicine}, volume = {65}, number = {2}, year = {2013}, month = {NOV}, pages = {S146}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, issn = {0891-5849}, doi = {10.1016/j.freeradbiomed.2013.10.764}, author = {Mishra, Abhishek} } @article { ISI:000315176600016, title = {Hydroxylation of phenol with hydrogen peroxide catalyzed by Ti-SBA-12 and Ti-SBA-16}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {368}, year = {2013}, month = {MAR}, pages = {112-118}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We report here, for the first time, the application of ordered, three-dimensional, mesoporous titanosilicates, Ti-SBA-12 and Ti-SBA-16, as reusable solid catalysts, for hydroxylation of phenol, an industrially important organic transformation. The reactions were conducted using 30\% aqueous H2O2 as oxidant. The catalysts of this work are more efficient than the hitherto known mesoporous Ti-silicates. They are more para-product selective than TS-1 and other titanosilicates. Ti-SBA-12 exhibited higher activity and hydroquinone/catechol selectivity (by nearly two times) than Ti-SBA-16. H2O2 efficiency of similar to 90 mol\% was obtained. Our study reveals that framework substituted Ti with pseudo-tetrahedral geometry, three-dimensional mesoporosity as well as surface structure are the unique features responsible for the high catalytic activity and selectivity of these titanosilicate catalysts. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Catalytic liquid-phase hydroxylation of phenol, Molecular sieves, Ordered mesoporous titanosilicates, Oxidation with hydrogen peroxide, Ti-SBA-12, Ti-SBA-16}, issn = {1381-1169}, doi = {10.1016/j.molcata.2012.11.026}, author = {Kumar, Anuj and Srinivas, Darbha} } @article { ISI:000318268800072, title = {Hysteresis and charge trapping in graphene quantum dots}, journal = {Applied Physics Letters}, volume = {102}, number = {14}, year = {2013}, month = {APR}, pages = {143104}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
We report current hysteresis in response to applied voltage in graphene quantum dots of average diameter 4.5 +/- 0.55 nm, synthesized electrochemically using multiwalled carbon nanotubes. In response to step voltages, transient current decay, characteristic of deep and shallow level charge traps with time constants 186 ms and 6 s, is observed. Discharging current transients indicate charge storage of the order of 100 mu C. Trap states are believed to arise due to the fast physisorption of external adsorbates, which are found to have a significant effect on charge transport and changes the resistance of the prepared device by an order of 3. (C) 2013 American Institute of Physics.
}, issn = {0003-6951}, doi = {10.1063/1.4800236}, author = {Kalita, Hemen and Harikrishnan, V and Shinde, Dhanraj B. and Pillai, Vijayamohanan K. and Aslam, Mohammed} } @article { ISI:000324316300042, title = {Identification of molecular crystals capable of undergoing an acyl-transfer reaction based on intermolecular interactions in the crystal lattice}, journal = {Chemistry-A European Journal}, volume = {19}, number = {38}, year = {2013}, month = {SEP}, pages = {12867-12874}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Investigation of the intermolecular acyl-transfer reactivity in molecular crystals of myo-inositol orthoester derivatives and its correlation with crystal structures enabled us to identify the essential parameters to support efficient acyl-transfer reactions in crystals: 1)the favorable geometry of the nucleophile (OH) and the electrophile (CO) and 2)the molecular assembly, reinforced by CH interactions, which supports a domino-type reaction in crystals. These parameters were used to identify another reactive crystal through a data-mining study of the Cambridge Structural Database. A 2:1 co-crystal of 2,3-naphthalene diol and its di-p-methylbenzoate was selected as a potentially reactive crystal and its reactivity was tested by heating the co-crystals in the presence of solid sodium carbonate. A facile intermolecular p-toluoyl group transfer was observed as predicted. The successful identification of reactive crystals opens up a new method for the detection of molecular crystals capable of exhibiting acyl-transfer reactivity.
}, keywords = {Acylation, domino reactions, intermolecular interactions, solid-state reactions, X-ray diffraction}, issn = {0947-6539}, doi = {10.1002/chem.201301058}, author = {Tamboli, Majid I. and Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000328438800007, title = {Impinging jet micromixer for flow synthesis of nanocrystalline MgO: role of mixing/impingement zone}, journal = {Industrial \& Engineering Chemistry Research}, volume = {52}, number = {49}, year = {2013}, month = {DEC}, pages = {17376-17382}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Continuous flow synthesis of nanomaterials via sol-gel process using microreactors has not received much attention. For the synthesis of gels where the reaction time is of the order of few seconds to few tens of seconds, microchannel reactors are an excellent processing option. However since a {\textquoteleft}gel{\textquoteright} does not {\textquoteleft}flow{\textquoteright} easily, making it in a microchannel usually clogs the microchannel. We envisaged that by using an impinging jet micromixer, where the two reactants impinge and collide to form a mixing zone outside the micromixer, this problem could be circumvented. Here we report a successful implementation of continuous flow synthesis of metal oxides formed by the rapid sol-gel process taking the nanocrystalline MgO (NC-MgO) as a specific example. Furthermore, we clearly demonstrate that the nature of the mixing zone formed by the impinging jets governs the surface area of the product. Specific flow rate and impingement angle are identified that yield high surface area materials.
}, issn = {0888-5885}, doi = {10.1021/ie402012x}, author = {Kumar, D. V. Ravi and Bhagavatula L. V. Prasad and Kulkarni, A. A.} } @article {42574, title = {Imprinted electrodes for enhanced light trapping in solution processed solar cells}, journal = {Advanced Materials}, volume = {26}, year = {2013}, month = {OCT}, pages = {443{\textendash}448}, doi = {10.1002/adma.201303674}, author = {Mihi, Agustin and Beck, Fiona J. and Lasanta, Tania and Rath, Arup Kumar and Konstantatos, Gerasimos} } @article {42776, title = {Improvement of regenerative rankine cycle using absorption heat boosters}, journal = {International Journal of Exergy}, volume = {12}, year = {2013}, month = {SEP}, pages = {298-322}, doi = {10.1504/IJEX.2013.054115}, author = {Mali, Nilesh A. and Mudadi, Rohit H. and Bhagwat, Sunil S.} } @article { ISI:000321864300019, title = {In situ growth of metal-organic frameworks on a porous ultrafiltration membrane for gas separation}, journal = {Journal of Materials Chemistry A}, volume = {1}, number = {31}, year = {2013}, month = {MAY}, pages = {8828-8835}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We demonstrate the synthesis of CuBTC and ZIF-8 on a polysulfone based porous asymmetric ultrafiltration (UF) membrane by in situ growth followed by the LBL deposition of crystals without any need for preseeding or surface modification of the membrane. In this way, the top surface of the UF membrane pores is completely covered by MOFs; while the remaining part of the membrane offers a flexible support to the MOFs. The pore apertures of the MOF nanoparticles located at the pore opening of the UF membrane act as channels for the entry of penetrants. The remaining porous sublayer of the membrane carries penetrants on the permeate side without significant resistance. These composite membranes were characterized by PXRD and SEM. The gas permeation study was performed using pure gases of industrial significance (H-2, C3H6 and CO2). The performance of CuBTC@PSF showed enhanced selectivity, of 7.2 and 5.7 for H-2/CO2 and H-2/C3H6 respectively, to that of the pristine PSF membrane.
}, issn = {2050-7488}, doi = {10.1039/c3ta10438a}, author = {Nagaraju, Divya and Bhagat, Deepti G. and Banerjee, Rahul and Kharul, Ulhas K.} } @article { ISI:000314931900026, title = {In situ synthesis and surface functionalization of gold nanoparticles with curcumin and their antioxidant properties: an experimental and density functional theory investigation}, journal = {Nanoscale}, volume = {5}, number = {5}, year = {2013}, month = {DEC}, pages = {1882-1893}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Curcumin ((1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione) is an active component of turmeric; it is responsible for its characteristic yellow color and therapeutic potential, but its poor bioavailability remains a major challenge. In order to improve the bioavailability of curcumin, various approaches have been used. One of the possible approaches to increase the bioavailability of curcumin is its conjugation on the surface of metal nanoparticles. Therefore, in the present study, we report the binding of curcumin on the surface of gold nanoparticles (AuNPs). The AuNPs were synthesized by the direct reduction of HAuCl4 using curcumin in the aqueous phase, without the use of any other reducing agents. We found that curcumin acts both as a reducing and capping agent, stabilizing the gold sol for many months. Moreover, these curcumin-capped AuNPs also show good antioxidant activity which was confirmed by the DPPH (2,2-diphenyl-l-picrylhydrazyl) radical test. Thus, the surface functionalization of AuNPs with curcumin may pave a new way of using the curcuminoids towards possible drug delivery and therapeutics. Apart from the experimental study, a detailed quantum chemical calculation using density functional theory (DFT) has been performed, in order to investigate the formation of a complex of curcumin with Au3+ ions in different possible conformational isomeric forms. Our theoretical calculations indicate the evidence of electron transfer from curcumin into the Au center and essentially indicate that as a consequence of complexation, Au3+ ions are reduced to Au-0. Our theoretical results also propose that it is the breakage of intramolecular H-bonding that probably leads to the increased availability of curcumin in the presence of gold ions and water molecules.
}, issn = {2040-3364}, doi = {10.1039/c2nr33776b}, author = {Singh, Dheeraj K. and Jagannathan, Ramya and Khandelwal, Puneet and Abraham, Priya Mary and Poddar, Pankaj} } @article { ISI:000326366800071, title = {Influence of charge and ligand on the finite temperature behavior of gold clusters: a BOMD study on Au-6 cluster}, journal = {Journal of Physical Chemistry C}, volume = {117}, number = {40}, year = {2013}, month = {OCT}, pages = {20982-20990}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Conformation and electronic charge on a gold cluster are known to determine its catalytic property. However, little is known on the finite temperature behavior of various gold cluster conformations. Much less is known on the role of charge or a ligand in stabilizing a conformation at finite temperatures. In this work, we have carried out relativistic density functional theory (DFT) based molecular dynamical simulations on neutral and charged Au-6 clusters with an aim of understanding the stability of ground state conformations as a function of charge on the cluster. Our simulations reveal that cationic and anionic Au-6 clusters undergo conformational transitions at 500 K where as neutral Au-6 cluster retains its ground state conformation up to a temperature of 1100 K. In order to look into the factors leading to the stabilization of neutral Au-6 cluster (or destabilization of cationic and anionic Au-6 clusters), structural and electronic properties are analyzed. Factors such as charge redistribution within the atoms and composition of molecular orbitals are seen to contribute towards stronger Au-Au bonds in Au-6(0) thereby stabilizing it considerably. Following the analysis, simulations are also extended to neutral, cationic, and anionic Au-6-COn (n = 1,2) complexes. In the case of CO chemisorbed Au-6 clusters, neutral and negatively charged ground state conformations are stable up to nearly 800 K, while the positively charged Au-6 ground state conformation collapses at room temperature. This work, in short demonstrates how charge or even a ligand can be used to moderate the physical properties of a gold cluster.
}, issn = {1932-7447}, doi = {10.1021/jp407081m}, author = {Manzoor, Dar and Pal, Sourav and Krishnamurty, Sailaja} } @article { ISI:000311935400073, title = {Influence of contact medium and surfactants on carbon dioxide clathrate hydrate kinetics}, journal = {Fuel}, volume = {105}, year = {2013}, month = {MAR}, pages = {664-671}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Carbon dioxide (CO2) hydrate formation kinetic was investigated in a fixed bed crystallizer at constant pressure (3.55 MPa) and temperature (274 K). Porous media of three different silica gels were used, with a mesh size of 60-120, 100-200 and 230-400 having different surface area. The observed trends indicate that silica gel with larger surface area leads to higher gas consumption as well as reduces the induction time. The effect of pore diameter and particle size distribution has already been reported in a previous study [1]. In this study the effect of additives on hydrate formation kinetics were also investigated. The additives studied were nonionic surfactant Tween-80 (T-80), cationic dodecyltrimethylammonium chloride (DTACl) and anionic Sodium Dodecyl Sulphate (SDS). Out of the three surfactants used in this study, SDS was found to be most effective in enhancing the rate of hydrate formation as well as reducing the induction time. The current result shows significant improvement in water to hydrate conversion in silica gel media compared to quiescent water or surfactant-water system under similar conditions. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon dioxide capture, Clathrate hydrate, kinetics, Silica gel, Surfactants}, issn = {0016-2361}, doi = {10.1016/j.fuel.2012.10.031}, author = {Kumar, Asheesh and Sakpal, Tushar and Linga, Praveen and Kumar, Rajnish} } @article { ISI:000324311200017, title = {Influence of initial particle size on the magnetostriction of sintered cobalt ferrite derived from nanocrystalline powders}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {346}, year = {2013}, month = {NOV}, pages = {96-102}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The role of initial particle size on the magnetostriction coefficient of sintered cobalt ferrite derived from nanocrystalline powders is studied. Nanoparticles of cobalt ferrite with different sizes in the range 3-80 nm are synthesized by an autocombustion method using metal nitrates and glycine. It has been observed that the initial particle size of the starting powders has a strong influence on the magnetostrictive behavior of sintered cobalt ferrite. Highest magnetostrictive strain and strain derivative are obtained for sintered ferrite derived from nanoparticles of size \< 5 nm. The results show that higher magnetostriction coefficient for sintered cobalt ferrite can be achieved by compacting nanocrystalline particles of very small size. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Cobalt ferrite, magnetic properties, Magnetostriction, Microstructure, Nanocrystalline, Particle size}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2013.07.016}, author = {Mohaideen, Kamal Khaja and Joy, Pattayil Alias} } @article { ISI:000323805300007, title = {Influence of method of preparation of solid, double-metal cyanide complexes on their catalytic activity for synthesis of hyperbranched polymers}, journal = {Applied Catalysis A-General}, volume = {464}, year = {2013}, month = {AUG}, pages = {51-60}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Catalytic activity of a series of Fe-Zn double-metal cyanide (DMC) complexes with varying structural and acidic properties has been investigated for the synthesis of hyperbranched polyesters (HPs) from glycerol and succinic acid/adipic acid. The DMC complexes were prepared using different complexing and co-complexing agents. Hydrophobicity of the surface, Lewis acidity and micro-mesoporous architecture are the critical features of DMC enabled control on gelation process in preparing HPs of high degree of branching. The micro-mesoporous architecture of DMC acts as a nano-reactor for reactant molecules to form primary condensation products which further polymerize yielding dendrimers. Hyperbranched polyesters of degree of branching as high as 90\% could be achieved without gelation using DMC catalysts. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Dendrimers, Double-metal cyanide, heterogeneous catalysis, Hydrophobic solid acid catalyst, Hyperbranched polymers}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.05.024}, author = {Sebastian, Joby and Srinivas, Darbha} } @article { ISI:000325272100040, title = {Influence of properties of SAPO{\textquoteright}s on the one-pot conversion of mono-, di- and poly-saccharides into 5-hydroxymethylfurfural}, journal = {RSC Advances}, volume = {3}, number = {38}, year = {2013}, month = {JUL}, pages = {17156-17165}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Synthesis of 5-hydroxymethylfurfural (5-HMF) from biomass derived mono-and poly-saccharides is gaining importance because of its usefulness in the preparation of important chemicals. In our work, we have synthesized several silicoaluminophosphate (SAPO) catalysts, and have shown that in the absence of any other pH modifying reagents, those are active in converting mono-and poly-saccharides into 5-HMF under biphasic reaction condition at 175 degrees C. Particularly, SAPO-44 catalyst showed the best activity in the conversion of fructose to yield 78\% 5-HMF with 88\% selectivity. On the contrary, all other catalysts showed lower yields (H-MOR: 63\%, SAPO-5: 32\%, 2DCT: 60\%). Over SAPO-44, good yields for 5-HMF were observed when glucose (67\%), maltose (57\%), cellobiose (56\%) and starch (68\%) were used as substrates. Recycle study carried out with SAPO-44 catalyst in the fructose conversion reaction showed marginal decrease in the activity up to 3rd run and then afterwards constant activity was observed up to 5th run (1st: 78\%, 2nd: 71\%, 3rd: 66\%, 4th: 65\%, 5th: 65\%). Catalyst characterizations revealed that SAPO catalysts have higher hydrophilic nature than H-MOR (Si/Al = 10) and hence it is postulated that this property may help in achieving better results. Further studies on the catalyst characterizations revealed that SAPO-44 undergoes modifications in its structure. However, ICP-OES data suggests that Al and/or P are not leached out in the solution indicating that change in local environment around elements is possible. The influence of acid amount, type of acid site etc. on the catalytic activity is discussed and found out that strong acid sites are required to boost the 5-HMF yields.
}, issn = {2046-2069}, doi = {10.1039/c3ra43197e}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI:000314177300008, title = {Influence of the sophorolipid molecular geometry on their self-assembled structures}, journal = {Chemistry-an Asian Journal}, volume = {8}, number = {2}, year = {2013}, month = {FEB}, pages = {369-372}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {bolaamphiphiles, helical structures, p-p stacking, Self-assembly, sophorolipids}, issn = {1861-4728}, doi = {10.1002/asia.201200935}, author = {Dhasaiyan, Prabhu and Banerjee, Agnimitra and Visaveliya, Nikunjkumar and Bhagavatula L. V. Prasad} } @article { ISI:000320235000008, title = {Insight into PdCl2(bipy) complex as an efficient catalyst for heck reaction and kinetic investigations in homogeneous medium}, journal = {Kinetics and Catalysis}, volume = {54}, number = {3}, year = {2013}, month = {MAY}, pages = {314-321}, publisher = {MAIK NAUKA/INTERPERIODICA/SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013-1578 USA}, abstract = {
PdCl2(bipy) complex (bipy = 2,2{\textquoteright}-bipyrydine) efficiently catalyzes the vinylation of aryl halides. The activity of this catalyst for the Heck reactionwas demonstrated for a variety of aryl halides and olefins in the presence of different organic and inorganic bases. The catalyst is stable under the reaction conditions and no degradation was observed. The kinetics of the Heck coupling of styrene with iodobenzene using the PdCl2(bipy) complex with potassium acetate as a base was studied over a temperature range of 393-413 K in 2-nitro-2-methyl-1-propanol medium. An empirical rate model has been proposed to fit the observed data and is found to be in good agreement with experimental results. The activation energy of the reactionwas found to be 98.70 kJ/mol.
}, issn = {0023-1584}, doi = {10.1134/S0023158413030051}, author = {Jagtap, Sangeeta Vijay and Deshpande, R. M.} } @article {42654, title = {Interatomic coulombic decay in (HF)n,(n=2-3) clusters using CAP/EOM-CCSD method}, journal = {Molecular Physics}, volume = {112}, year = {2013}, month = {NOV}, pages = {669-673}, type = {Article}, abstract = {
The equation-of-motion coupled-cluster method along with the complex absorbing potential has been applied to study the interatomic Coulombic decay mechanism in hydrogen-bonded clusters. We have applied this method to calculate the lifetime of the F 2s inner-valence ionised state of (HF)(n) (n = 2-3) clusters. The lifetime is found to be very short and decreases substantially with increasing the number of HF monomer.
}, keywords = {complex absorbing potential (CAP), equation-of-motion coupled-cluster (EOM-CC), HF clusters, interatomic Coulombic decay (ICD)}, issn = {0026-8976}, doi = {10.1080/00268976.2013.852263}, author = {Ghosh, Aryya and Pal, Sourav and Vaval, Nayana} } @article { ISI:000318565500012, title = {Interesting thermal variations owing to cationic ring structural features in protic ionic liquids}, journal = {Physical Chemistry Chemical Physics}, volume = {15}, number = {21}, year = {2013}, month = {APR}, pages = {8050-8053}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The present communication divulges interesting thermal behavior of different protic ionic liquids arising due to the hydrophobicity modifications in their parent cationic ring structures. This work assists us in differentiating between protic ionic liquids, their aprotic counterparts and common electrolytes in water. The thermal signatures produced by protic ionic liquids, aprotic ionic liquids and electrolytes emerge as individual fingerprints for them.
}, issn = {1463-9076}, doi = {10.1039/c3cp50314c}, author = {Rai, Gitanjali and Kumar, Anil} } @article { ISI:000324758700022, title = {Interfacial charge recombination of Os(II)-polypyridyl-resorcinol complex on oleic acid capped TiO2 surface: what determines the dynamics?}, journal = {New Journal of Chemistry}, volume = {37}, number = {10}, year = {2013}, month = {JUL}, pages = {3100-3108}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Femtosecond transient absorption spectroscopic studies of an osmium(II)-polypyridyl-resorcinol complex, 1, on oleic acid capped TiO2 have been carried out and the results have been compared with our previous studies on poly(vinyl) alcohol capped TiO2. While on both these surfaces the complex exhibits a single exponential \<120 fs injection, the back electron transfer reaction is slower on the oleic acid capped TiO2 surface early on while it is faster on the same surface at longer times than on poly(vinyl)alcohol capped TiO2. The probable origin of these disparate observations has been analyzed.
}, issn = {1144-0546}, doi = {10.1039/c3nj00550j}, author = {Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000324387400035, title = {Interplay between crystallization and glass transition in binary Lennard-Jones mixtures}, journal = {Journal of Chemical Physics}, volume = {139}, number = {10}, year = {2013}, month = {SEP}, pages = {Article No. 104501}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
In this work we explore the interplay between crystallization and glass transition in different binary mixtures by changing their inter-species interaction length and also the composition. We find that only those systems which form bcc crystal in the equimolar mixture and whose global structure for larger x(A) (x(A) = 0.6, where x(A) is the mole fraction of the bigger particles) is a mixed fcc + bcc phase, do not crystallize at this higher composition. However, the systems whose equimolar structure is a variant of fcc (NaCl type crystal) and whose global structure at larger xA is a mixed NaCl + fcc phase, crystallize easily to this mixed structure. We find that the stability against crystallization of this {\textquoteleft}{\textquoteleft}bcc zone{\textquoteright}{\textquoteright} is due to the frustration between the locally preferred structure (LPS) and the mixed bcc + fcc crystal. Our study suggests that when the global structure is a mixed crystal where a single species contributes to both the crystal forms and where the two crystal forms have large difference in some order parameter related to that species then this induces frustration between the LPS and the global structure. This frustration makes the systems good glass former. When x(A) is further increased (0.70 \<= x(A) \< 0.90) the systems show a tendency towards mixed fcc crystal formation. However, the {\textquoteleft}{\textquoteleft}bcc zone{\textquoteright}{\textquoteright} even for this higher composition is found to be sitting at the bottom of a V shaped phase diagram formed by two different variants of the fcc crystal structure, leading to its stability against crystallization. (C) 2013 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4820402}, author = {Banerjee, Atreyee and Chakrabarty, Suman and Bhattacharyya, Sarika Maitra} } @article { ISI:000325780800062, title = {Interplay between crystallization and glass transition in binary lennard-Jones mixtures (vol 139, 104501, 2013)}, journal = {Journal of Chemical Physics}, volume = {139}, number = {14}, year = {2013}, month = {OCT}, pages = {Article No. 149902}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, issn = {0021-9606}, doi = {10.1063/1.4824740}, author = {Banerjee, Atreyee and Chakraborty, Suman and Bhattacharyya, Sarika Maitra} } @article { ISI:000319680800041, title = {Isolation, characterization, and identification of catalytically active species in the MoO3/SiO2 catalyst during solid acid catalyzed reactions}, journal = {Chemcatchem}, volume = {5}, number = {6}, year = {2013}, month = {JUN}, pages = {1531-1537}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
We report the isolation, characterization, and identification of the catalytically active species formed during various acid-catalyzed reactions if silica-supported MoO3 was used as a catalyst. We have reported previously the synthesis and extensive characterization of the silica-supported MoO3 catalyst prepared by the sol-gel process with ammonium heptamolybdate and ethyl silicate-40 as molybdenum and silica precursors, respectively. The TEM images showed uniformly distributed MoO3 nanoparticles on the high-surface area mesoporous silica support and high acidity (0.9mmolg-1) by using temperature-programmed desorption of ammonia (NH3-TPD) analysis. This catalyst has already shown high activity for various acid-catalyzed reactions. To understand the nature of catalytically active species formed during the reaction, the liquid-phase esterification of acetic acid and ethanol was studied as a probe reaction with very high acid conversion (83\%) in 8h. During esterification, the reaction mixture turned blue, which indicated a change in the nature of the catalyst under reaction conditions. These catalytically active species formed in the reaction mixture were isolated and extensively characterized by using FTIR, Raman, powder XRD, BET surface area, NH3-TPD, energy dispersive X-ray, and TEM analysis. The characterization results revealed the insitu formation of silicomolybdic acid on the silica surface in the presence of water, which acts as catalytically active species responsible for the acid-catalyzed reactions.
}, keywords = {esterification reactions, heterogeneous catalysis, Molybdenum, silicon, sol-gel processes}, issn = {1867-3880}, doi = {10.1002/cctc.201200662}, author = {Kotbagi, Trupti V. and Biradar, Ankush V. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000315557700001, title = {Isolation, fractionation and evaluation of the antiplasmodial properties of Phyllanthus niruri resident in its chloroform fraction}, journal = {Asian Pacific Journal of Tropical Medicine}, volume = {6}, number = {3}, year = {2013}, month = {MAR}, pages = {169-175}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Objective: To investigate the antiplasmodial activity of Phyllanthus niruri (P. niruri) methanol extract (ME) and its fractions in mice. Methods: P. niruri methanol extract and its chloroform, ethanol and aqueous portions were tested against chloroquine-sensitive Plasmodium berghei berghei. in early, established mid repository models of infection using Knight and Peter{\textquoteright}s 4-day suppressive model, Ryley and Peters curative model and Peters prophylactic model respectively. Results: Chemosuppression of parasitaemia (37.65\%-50.53 \%) was elicited by 100-400 mg/kg (b.w.) of ME. At doses of 100 mg/kg b.w., the chloroform fraction (F1) significantly (P\<0.01) suppressed parasitaemia by 85.29\%, while ethanol and aqueous fractions (F2 and F3, respectively) elicited 67.06\% and 51.18\% chemosuppression. The most active fraction, F1 was selected for further antiplasmodial screening. In established infection, ME reduced parasitaemia (15.81\%-62.96\%) while F1 significantly (P\<0.01) reduced parasitaemia (44.36\%-90.48\%), with effects comparable to that of chloroquine (96.48\%). The prophylactic antiplasmodial activity of ME (92.50\% suppression) was also significant (P\<0.01) and was more effective than pyrimethamine (85.00\%). Additionally, cell membrane integrity of non-parasitized erythrocytes incubated with 125-500 mg/mL F1 was maintained. Conclusions: These findings indicate the antiplasmodial efficacy of P. niruri methanol extract, and the localization of this effect in its chloroform fraction.
}, keywords = {malaria, Phyllanthus niruri, Plasmodium}, issn = {1995-7645}, doi = {10.1016/S1995-7645(13)60018-8}, author = {Ifeoma, Obidike and Samuel, Okhale and Itohan, Aboh Mercy and Adeola, Salawu Oluwakanyinsola} } @article { ISI:000324494000004, title = {Isolation, purification and characterization of vinblastine and vincristine from endophytic fungus fusarium oxysporum isolated from catharanthus roseus}, journal = {Plos One}, volume = {8}, number = {9}, year = {2013}, month = {SEP}, pages = {UNSP e71805}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Endophytic fungi reside in a symbiotic fashion inside their host plants, mimic their chemistry and interestingly, produce the same natural products as their hosts and are thus being screened for the production of valuable compounds like taxol, camptothecin, podophyllotoxin, etc. Vinblastine and vincristine are excellent anti-cancer drugs but their current production using plants is non-abundant and expensive. In order to make these drugs readily available to the patients at affordable prices, we isolated the endophytic fungi from Catharanthus roseus plant and found a fungus AA-CRL-6 which produces vinblastine and vincristine in appreciable amounts. These drugs were purified by TLC and HPLC and characterized using UV-Vis spectroscopy, ESI-MS, MS/MS and H-1 NMR. One liter of culture filtrate yielded 76 mu g and 67 mu g of vinblastine and vincristine respectively. This endophytic fungal strain was identified as Fusarium oxysporum based upon its cultural and morphological characteristics and internal transcribed spacer (ITS) sequence analysis.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0071805}, author = {Kumar, Ashutosh and Patil, Deepak and Rajamohanan, Pattuparambil Ramanpillai and Ahmad, Absar} } @article { ISI:000326845200037, title = {Is it possible to change wettability of hydrophilic surface by changing its roughness?}, journal = {Journal of Physical Chemistry Letters}, volume = {4}, number = {21}, year = {2013}, month = {NOV}, pages = {3692-3697}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Wetting behavior of model rough surfaces made of hydrophilic square pillars is investigated. The hydrophilic pillars are equally spaced on hydrophilic surface. The surface roughnesses are altered by varying the pillar width and interpillar spacing. Wetting to dewetting transition is observed for these surfaces. This is one of the first accounts of observation from molecular simulations where hydrophilic surface converts into hydrophobic by changing its roughness. The extent of hydrophilicities are also changed to gain more insightful observations. Energies of the wetting to dewetting transitions are analyzed by calculating the contribution from water water and water surface energy components. A correlation between energy and the wetting to dewetting transition has been established, which rationally explains the observed water repellent nature of hydrophilic surface as a function of roughness.
}, issn = {1948-7185}, doi = {10.1021/jz401946v}, author = {Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000325949600005, title = {Kinetics and thermodynamics of glycans and glycoproteins binding to holothuria scabra lectin: a fluorescence and surface plasmon resonance spectroscopic study}, journal = {Journal of Fluorescence}, volume = {23}, number = {6}, year = {2013}, month = {NOV}, pages = {1147-1155}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Holothuria scabra produces a monomeric lectin (HSL) of 182 kDa. HSL showed strong antibacterial activity and induced bacterial agglutination under in vitro conditions, indicating its role in animals{\textquoteright} innate immune responses. Very few lectins have been reported from echinoderms and none of these lectins have been explored in detail for their sugar-binding kinetics. Affinity, kinetics and thermodynamic analysis of glycans and glycoproteins binding to HSL were studied by fluorescence and surface plasmon resonance spectroscopy. Lectin binds with higher affinity to O-linked than N-linked asialo glycans, and the affinities were relatively higher than that for sialated glycans and glycoproteins. T-antigen alpha-methyl glycoside was the most potent ligand having the highest affinity (Ka 8.32 x10(7) M-1). Thermodynamic and kinetic analysis indicated that the binding of galactosyl Tn-antigen and asialo glycans is accompanied by an enthalpic contribution in addition to higher association rate coupled by low activation energy for the association process. Presence of sialic acid or protein matrix inhibits binding. Higher affinity of HSL for O-glycans than N-glycans had biological implications; since HSL specifically recognizes bacteria, which have mucin or O-glycan cognate on their cell surfaces and play a major role in animal innate immunity. Since, HSL had higher affinity to T-antigen, makes it a useful tool for cancer diagnostic purpose.
}, keywords = {Holothuria scabra, Kinetic analysis, Lectin, Surface plasmon resonance spectroscopy, Thermodynamic properties}, issn = {1053-0509}, doi = {10.1007/s10895-013-1244-4}, author = {Gowda, Nagaraj M. and Gaikwad, Sushama M. and Khan, Mohammad Islam} } @article { ISI:000323509900012, title = {Lagrange multiplier approach for excited state properties through intermediate hamiltonian formulation of fock space multireference coupled-cluster theory}, journal = {Journal of Chemical Physics}, volume = {139}, number = {7}, year = {2013}, month = {AUG}, pages = {074108}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
In this paper, we present a formulation based on Lagrange multiplier approach for efficient evaluation of excited state energy derivatives in Fock space coupled cluster theory within the intermediate Hamiltonian framework. The formulation is applied to derive the explicit generic expressions up to second order energy derivatives for [1, 1] sector of Fock space with singles and doubles approximation. Its advantage, efficiency, and interconnection in comparison to the Lagrange multiplier approach in traditional formulation of Fock space, which is built on the concept of Bloch equation based effective Hamiltonian, has been discussed. Computational strategy for their implementation has also been discussed in some detail. (C) 2013 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4817943}, author = {Gupta, Jitendra and Vaval, Nayana and Pal, Sourav} } @article { ISI:000328437300022, title = {Large centimeter-sized macroporous ferritin gels as versatile nanoreactors}, journal = {Chemistry of Materials}, volume = {25}, number = {23}, year = {2013}, month = {DEC}, pages = {4813-4819}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Organized assemblies of bionanoparticles such as ferritin provides templates that can be exploited for nanotechnological applications. Organization of ferritin into well-defined three-dimensional assemblies is challenging and has attracted considerable attention recently. We have synthesized, for the first time, large (centimeter-sized) self-standing macroporous scaffold monoliths from ferritin bionanoparticles, using dynamic templating of surfactant H-1 domains. These scaffolds comprise three-dimensionally connected strands of ferritin, organized as a porous gel with porosity similar to 55 mu m. The iron oxide inside the ferritin scaffold can be easily replaced with catalytically active monodisperse zerovalent transition metal nanoparticles using a very simple protocol. Since the ferritin is cross-linked in the scaffold, it is significantly robust with enhanced thermal stability and better tolerance toward several organic solvents in Comparison to the native ferritin bionanoparticle. In addition, the scaffold macropores facilitate substrate and reagent transport and hence the monoliths containing active Pd or iron oxide nanoparticles inside apo-ferritin bionanoparticles were used as a recyclable heterogeneous catalyst for the oxidation of 2,3,6-trimethyl phenol to 2,3,6-trimethyl-1,4-benzoquinone (precursor for Vitamin E synthesis) and for Suzuki-Miyaura cross-coupling reaction in both aqueous and organic solvents. The protein shell around the nanoparticles protects them from agglomeration, a phenomenon that otherwise plagues nanoparticles-based catalysis. The presence of macropores allow the ferritin scaffold to act as catalytic monolith for continuous flow reactions having rapid reaction rates, while offering a low pressure drop. Finally, the Pd@apo-ferritin scaffold was immobilized inside a steel cartridge and used for the continuous flow hydrogenation of alkenes to their corresponding alkanes for 15 cycles without any loss of activity.
}, keywords = {catalysis, continuous flow, ferritin, gel, macroporous materials, Self-assembly}, issn = {0897-4756}, doi = {10.1021/cm403240j}, author = {Kumari, Sushma and Kulkarni, Amol and Kumaraswamy, Guruswamy and Sen Gupta, Sayam} } @article { ISI:000327090400009, title = {Lavandula gibsoni and plectranthus mollis essential oils: chemical analysis and insect control activities against aedes aegypti, anopheles sfttephensi and culex quinquefasciatus}, journal = {Journal of Pest Science}, volume = {86}, number = {4}, year = {2013}, month = {DEC}, pages = {713-718}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
Essential oils and acetone extracts from Lavandula gibsoni and Plectranthus mollis, family Lamiaceae, were investigated for their mosquito larvicidal activity against 4th instar larvae of Aedes aegypti, Anopheles stephensi and Culex quinquefasciatus. LC50 values against these three species were 48.3, 62.8 and 54.7 mg/L for L. gibsoni essential oil and 118.5, 137.2 and 128.1 mg/L, respectively, for its acetone extract, while LC50 values for P. mollis essential oil were 25.4, 33.5 and 29.5 mg/L and 195.0, 213.8 and 209.0 mg/L, respectively, for its acetone extract. Repellence of the essential oils was assessed against A. aegypti adults. L. gibsoni essential oil provided 100 \% protection for more than 7 h at a concentration of 2.0 mg/cm(2). Under the same conditions, the standard repellent N,N-diethyl-meta-toluamide, at 0.25 mg/cm(2), provided 100 \% protection for more than 8 h, while P. mollis essential oil was only weakly repellent. The major components from both essential oils were identified based on GC-MS analysis and linear retention indices. Our results demonstrated promising larvicidal activities of both essential oils against these mosquito species. L. gibsoni essential oil also showed promising repellent activity.
}, keywords = {Essential oil, Lavandula gibsoni, Mosquito larvicidal activity, Mosquito repellent, Plectranthus mollis}, issn = {1612-4758}, doi = {10.1007/s10340-013-0502-1}, author = {Kulkarni, Roshan R. and Pawar, Pushpa V. and Joseph, Mary P. and Akulwad, Ambadas K. and Sen, Avalokiteswar and Joshi, Swati P.} } @article { ISI:000318577600145, title = {Liquefied petroleum gas sensing performance of cerium doped copper ferrite}, journal = {Ceramics International}, volume = {39}, number = {5}, year = {2013}, month = {JUL}, pages = {5901-5907}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Undoped and cerium (Ce) doped nanocrystalline copper ferrite (CuFe2O4) materials were synthesized via the molten-salt (M-S) method. Effects of Ce doping on the structural, morphological and gas sensing properties of the CuFe2O4 ferrite have been investigated. X-ray diffraction (XRD) analysis revealed the formation of spinel CuFe2O4. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) investigations showed that the synthesized ferrite is made up of very fine spherical nanoparticles. Moreover, the gas sensing properties of sintered samples were studied towards different reducing gases such as liquefied petroleum gas (LPG), acetone, ethanol and ammonia. The sample with 4\% cerium doped CuFe2O4 (Ce4) showed the maximum gas sensitivity (86\%) towards LPG with fast response time of 5 s and good recovery time of 68 s. (C) 2013 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {Ferrite, Gas sensor, Molten-salt method, TEM}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2013.01.010}, author = {Khandekar, M. S. and Tarwal, N. L. and Patil, J. Y. and Shaikh, F. I. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000313913300036, title = {Low-pressure synthesis and characterization of hydrogen-filled ice ic}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {5}, year = {2013}, month = {DEC}, pages = {1531-1534}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {Clathrates, cubic ice, hydrates, Hydrogen}, issn = {1433-7851}, doi = {10.1002/anie.201208367}, author = {Kumar, Rajnish and Klug, Dennis D. and Ratcliffe, Christopher I. and Tulk, Christopher A. and Ripmeester, John A.} } @article { ISI:000322432600012, title = {Magnetically separable single-site Ti-Fe3O4@MCM-41 catalyst for selective epoxidation of olefins}, journal = {Industrial \& Engineering Chemistry Research}, volume = {52}, number = {29}, year = {2013}, month = {JUL}, pages = {9803-9811}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Magnetically separable Ti-Fe3O4@MCM-41 (Ti-MS) catalysts were prepared by postgrafting Ti with varying loading on mesoporous silica containing dispersed magnetite. The hexagonal structure of Ti-MS catalysts with a periodicity in the pores and a highly ordered hexagonal matrix was established by X-ray diffraction and transmission electron microscopy, while diffuse reflectance UV showed the isolated tetrahedral Ti species coordinated with O2-. From the Fourier transform infrared studies, the extent of Ti-O-Si linkage was found to increase with increase in Ti-loading from 1 to 5 wt \%beyond which (10\%), the intensity of Ti-O-Si band decreased due to the polymerization of the Ti on the silica surface. Silanol groups on the surface of silica interact with the precursor Ti((OPr)-Pr-i)(4) to give site isolated tetrahedral Ti-species responsible for complete selectivity to the epoxide in the epoxidation of cyclooctene. The magnetic property facilitated easy recovery of the catalyst for its successful eight recycles showing its stability under reaction conditions.
}, issn = {0888-5885}, doi = {10.1021/ie4013248}, author = {Jha, Ajay and Patil, Chetana R. and Garade, Ajit C. and Rode, Chandrashekhar V.} } @article { ISI:000320005100018, title = {Mapping ion-induced mesophasic transformation in lyotropic in situ gelling system and its correlation with pharmaceutical performance}, journal = {Pharmaceutical Research}, volume = {30}, number = {7}, year = {2013}, month = {JUL}, pages = {1906-1914}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
To investigate influence of ion induced mesophasic transformation on pharmaceutical performance of in situ gelling system consisting of glyceryl monooleate. The prepared system showed mesophasic transformation during its conversion from sol to gel upon controlled hydration. The process of mesophasic transformation was studied by SAXS, DSC, rheology and plane polarized light microscopy. Further the influence of additives i.e. naproxen salts (sodium and potassium) and naproxen (base) on the process of mesophasic transformation was also elucidated. It was observed that addition of salt form of naproxen transformed W/O emulsions into cubic mesophase whereas addition of base form of naproxen formed reverse hexagonal (H-II) phase upon controlled hydration. The cubic mesophase formed by naproxen salts retarded the drug release for initial 3 h whereas H-II phase showed sustained drug release characteristics for naproxen base following Higuchi drug release kinetics. The current work suggests that formulations with tailor made pharmaceutical performance can be developed by selecting proper additives in the system so as to obtain the desired mesophase {\textquoteleft}on demand{\textquoteright} thereby controlling drug release characteristics.
}, keywords = {cubic phase, hexagonal phase, liquid crystal, mesophasic transformation, sustained drug release}, issn = {0724-8741}, doi = {10.1007/s11095-013-1033-4}, author = {Patil, Sharvil S. and Venugopal, Edakkal and Bhat, Suresh K. and Mahadik, Kakasaheb R. and Paradkar, Anant R.} } @article { ISI:000317080100001, title = {Marine actinobacteria showing phosphate-solubilizing efficiency in Chorao Island, Goa, India}, journal = {Current Microbiology}, volume = {66}, number = {5}, year = {2013}, month = {MAY}, pages = {421-427}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The occurrence and distribution of an actinobacteria group of bacteria capable of dissolving insoluble phosphates were investigated in this study in marine environments, especially in sediments of Chorao Island, Goa Province, India. A total of 200 bacterial isolates of actinobacteria was isolated. All isolates were screened for phosphate-solubilizing activity on Pikovskaya{\textquoteright}s agar. Thirteen different isolates exhibiting maximum formation of halos (zone of solubilization) around the bacterial colonies were selected for quantitative estimations of P-solubilization. Quantitative estimations for P-solubilization were analyzed for up to 10 days at intervals of 24 h. Maximum solubilization from 89.3 +/- A 3.1 to 164.1 +/- A 4.1 mu g ml(-1) was observed after 6 days of incubation in six of all isolates, while the isolate NII-1020 showed maximum P-solubilization. The increase in solubilization coincided with the drop in pH. Many of these species showed wide range of tolerance to temperature, pH, and salt concentrations. Further, 16S rRNA gene sequence analyses were carried to identify the bacterial groups which are actively solubilized phosphate in vitro. Gene sequencing results reveal that all isolates were clustered into six different actinobacterial genera: Streptomyces, Microbacterium, Angustibacter, Kocuria, Isoptericola, and Agromyces. The presence of phosphate-solubilizing microorganisms and their ability to solubilize phosphate were indicative of the important role played by bacteria in the biogeochemical cycle of phosphorus and the plant growth in coastal ecosystems.
}, issn = {0343-8651}, doi = {10.1007/s00284-012-0288-z}, author = {Dastager, Syed Gulam and Damare, Samir} } @article { ISI:000326207600024, title = {Mechanism of action of novel synthetic dodecapeptides against Candida albicans}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1830}, number = {11}, year = {2013}, month = {NOV}, pages = {5193-5203}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Background: Three de novo designed low molecular weight cationic peptides (IJ2, IJ3 and IJ4) containing an unnatural amino acid alpha,beta-didehydrophenylalanine (APhe) exhibited potent antifungal activity against fluconazole (FLC) sensitive and resistant clinical isolates of Candida albicans as well as non-albi cans and other yeast and filamentous pathogenic fungi. In the present study, their synthesis, susceptibility of different fungi and the mechanism of anti-candidal action have been elucidated. Methods: The antimicrobial peptides (AMPs) were synthesized by solid-phase method and checked for antifungal activity against different yeasts and fungi by broth microdilution method. Anti-candidal mode of action of the peptides was investigated through detecting membrane permeabilization by confocal microscopy, Reactive Oxygen Species (ROS) generation by fluorometry, apoptosis and necrosis by flow cytometry and cell wall damage using Scanning and Transmission Electron Microscopy. Results and conclusions: The MIC of the peptides against C. albicans and other yeast and filamentous fungal pathogens ranged between 3.91 and 250 mu M. All three peptides exhibited effect on multiple targets in C. albi cans including disruption of cell wall structures, compromised cell membrane permeability leading to their enhanced entry into the cells, accumulation of ROS and induction of apoptosis. The peptides also showed synergistic effect when used in combination with fluconazole (FLC) and caspofungin (CAS) against C. albi cans. General significance: The study suggests that the AMPs alone or in combination with conventional antifungals hold promise for the control of fungal pathogens, and need to be further explored for treatment of fungal infections. (C) 2013 Elsevier By. All rights reserved.
}, keywords = {Antifungal peptide, Antimicrobial peptide (AMP), Apoptosis, Candida albicans, Reactive Oxygen Species (ROS)}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2013.07.016}, author = {Maurya, Indresh Kumar and Thota, Chaitanya Kumar and Sharma, Jyotsna and Tupe, Santosh Genba and Chaudhary, Preeti and Singh, Manoj Kumar and Thakur, Indu Shekhar and Deshpande, Mukund V. and Prasad, Rajendra and Chauhan, Virander Singh} } @article { ISI:000317255200008, title = {Mechanistic approach for expeditious and solvent-free synthesis of alpha-hydroxy phosphonates using potassium phosphate as catalyst}, journal = {Comptes Rendus Chimie}, volume = {16}, number = {2}, year = {2013}, month = {FEB}, pages = {148-152}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
An extremely simple, high yielding, highly rapid and solvent-free protocol has been described for hydrophosphylation of aldehydes using potassium phosphate as catalyst. Easy commercial availability of the reusable catalyst, operational simplicity at ambient temperature and avoidance of conventional work-up as well as purification procedure makes this solvent-free protocol a near-ideal synthesis. (C) 2012 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.
}, keywords = {alpha-hydroxy phosphonates, Hydrophosphylation, Potassium phosphate, Solvent-free}, issn = {1631-0748}, doi = {10.1016/j.crci.2012.10.009}, author = {Kulkarni, Makarand A. and Lad, Uday P. and Desai, Uday V. and Mitragotri, Satish D. and Wadgaonkar, Prakash P.} } @article { ISI:000316018200011, title = {Mechanistic insights into the inhibition of endo-beta 1,4 xyloglucan hydrolase by a classical aspartic protease inhibitor}, journal = {Journal of Fluorescence}, volume = {23}, number = {2}, year = {2013}, month = {MAR}, pages = {311-321}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
This is the first report of inactivation of xyloglucanase from Thermomonospora sp by pepstatin A, a specific inhibitor towards aspartic proteases. The steady state kinetics revealed a reversible, competitive, two-step inhibition mechanism with IC (50) and K (i) values of 3.5 +/- 0.5 mu M and 1.25 +/- 0.5 mu M respectively. The rate constants determined for the isomerization of EI to EI* and the dissociation of EI* were 14.5 +/- 1.5 x 10(-5) s(-1) and 2.85 +/- 1.2 x 10(-8) s(-1) respectively, whereas the overall inhibition constant K (i) (*) was 27 +/- 1 nM. The conformational changes induced upon inhibitor binding to xyloglucanase were monitored by fluorescence analysis and the rate constants derived were in agreement with the kinetic data. The abolished isoindole fluorescence of o-phthalaldehyde (OPTA)-labeled xyloglucanase and far UV analysis suggested that pepstatin binds to the active site of the enzyme. Our results revealed that the inactivation of xyloglucanase is due to the interference in the electronic microenvironment and disruption of the hydrogen-bonding network between the essential histidine and other residues involved in catalysis.
}, keywords = {4 xyloglucan hydrolase, Endo-beta 1, Enzyme kinetics, Inactivation mechanism, Pepstatin, Slow-tight binding}, issn = {1053-0509}, doi = {10.1007/s10895-012-1149-7}, author = {Menon, Vishnu and Rao, Mala} } @article { ISI:000317548400026, title = {Mechanochemical synthesis of chemically stable isoreticular covalent organic frameworks}, journal = {Journal of the American Chemical Society}, volume = {135}, number = {14}, year = {2013}, month = {APR}, pages = {5328-5331}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Three thermally and chemically stable isoreticular covalent organic frameworks (COFs) were synthesized via room-temperature solvent-free mechanochemical grinding. These COFs were successfully compared with their solvothermally synthesized counterparts in all aspects. These solvent-free mechanochemically synthesized COFs have moderate crystallinity with remarkable stability in boiling water, acid (9 N HCl), and base [TpBD (MC) in 3 N NaOH and TpPa-2 (MC) in 9 N NaOH]. Exfoliation of COF layers was simultaneously observed with COF formation during mechanochemical synthesis. The structures thus obtained seemed to have a graphene-like layered morphology (exfoliated layers), unlike the parent COFs synthesized solvothermally.
}, issn = {0002-7863}, doi = {10.1021/ja4017842}, author = {Biswal, Bishnu P. and Chandra, Suman and Kandambeth, Sharath and Lukose, Binit and Heine, Thomas and Banerjeet, Rahul} } @article { ISI:000324153700020, title = {Medium pressure hydrate based gas separation (HBGS) process for pre-combustion capture of carbon dioxide employing a novel fixed bed reactor}, journal = {International Journal of Greenhouse Gas Control}, volume = {17}, year = {2013}, month = {SEP}, pages = {206-214}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
This work presents an effective medium pressure hydrate based gas separation (HBGS) process for pre-combustion carbon dioxide capture in a novel fixed bed column. 2.5 mol\% propane was added to the fuel gas mixture as an additive to decrease the operating pressure of the HBGS process. Hydrate formation kinetics was investigated at three different pressures (4.5, 5.5 and 6.0 MPa respectively) and at 274.15 K. The performance of silica sand and silica gel as a medium was evaluated. In silica sand bed, multiple nucleation events were observed. In silica gel bed, the gas uptake and water conversion to hydrates was significantly low at any given driving force than that obtained in silica sand bed. Experiments at different water saturation levels (50, 75 and 100\%) in silica sand bed were investigated at 6.0 MPa and 274.15 K. It was found that at 50\% water saturation, gas consumed for hydrate formation and water conversion to hydrates was almost three times that at 100\% saturation. Water to hydrate conversions of up to 64.3\% was achieved after 4 h of hydrate formation for the 50\% water saturated silica sand bed. Our study presents an opportunity to scale up the HBGS process for CO2 capture with enhanced kinetics by employing a fixed bed reactor configuration. Decomposition experiments at a driving force of Delta T of 10 K and 23K were carried out to recover the gas consumed for hydrate formation and it was found that Delta T of 23 K was sufficient to recover the hydrated gas. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon dioxide capture, Gas hydrates, Global warming, Pre-combustion, Separation}, issn = {1750-5836}, doi = {10.1016/j.ijggc.2013.05.010}, author = {Babu, Ponnivalavan and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000317945100020, title = {Metal cation-exchanged montmorillonite clay as catalysts for hydroxyalkylation reaction}, journal = {Applied Clay Science}, volume = {74}, number = {SI}, year = {2013}, month = {APR}, pages = {141-146}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Several solid acid catalysts were prepared by exchanging metal cations such as Zn2+, Fe3+ and Al3+ with montmorillonite clay. Among these, Al-montmorillonite showed the highest acidity determined by the pyridine-IR as well as NH3-TPD methods. A systematic comparison of the performance of these catalysts along with parent montmorillonite was carried out for the hydroxyalkylation of p-cresol with formaldehyde to give 2, 2{\textquoteright}-methylenebis (4-methyl phenol) (DAM). It was found that the activity of these catalysts was in accordance with the increase in acidity of parent montmorillonite after the exchange of cations in the order of Zn2+, Fe3+ and Al3+. The selectivity pattern was also influenced by the exchanged cations. Since Al-montmorillonite showed the highest conversion of 51\% with 98\% selectivity to DAM, the effects of various reaction parameters, namely, mole ratio, catalyst concentration, temperature, reaction time on conversion and selectivity pattern were also studied using the same catalyst This catalyst also showed an excellent stability as evidenced by its eight times reuse. (C) 2012 Published by Elsevier B.V.
}, keywords = {Cations-exchanged clay, Montmorillonite, NH3-TPD, Pyridine-IR}, issn = {0169-1317}, doi = {10.1016/j.clay.2012.10.005}, author = {Jha, Ajay and Garade, Ajit C. and Shirai, M. and Rode, C. V.} } @article { ISI:000318589100018, title = {Metal or nonmetal cooperation with a phenyl group: route to catalysis? a computational investigation}, journal = {ACS Catalysis}, volume = {3}, number = {5}, year = {2013}, month = {MAY}, pages = {920-927}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Full quantum mechanical calculations demonstrate that cooperativity in the form of the activation of the M-C bond (M: transition metal or boron, C: the ipso carbon of the coordinated phenyl group) can lead to effective catalysis pathways. Calculations show that the presence of an aromatic bidentate ligand attached to a transition metal, or even a main group element, such as boron, can lead to effective catalysts for,a, range of important reactions, such as the dehydrogenation of ammonia borane and formic acid and the activation of the N-H, bond in aromatic amities. Moreover, it is shown that the design of tridentate pincer complexes with the aromatic group at a terminal end can lead to effective M-C cooperativity. As such, the current work introduces a new concept in cooperativity and bond activation chemistry.
}, keywords = {catalysis, Density functional theory, metal-ligand cooperativity, small molecule activation}, issn = {2155-5435}, doi = {10.1021/cs400174u}, author = {Ghatak, Kamalika and Mane, Manoj and Vanka, Kumar} } @article { ISI:000315321400011, title = {Metal-mediated alkynediol cycloisomerization: first and second generation formal total syntheses of didemniserinolipid B}, journal = {Tetrahedron}, volume = {69}, number = {7}, year = {2013}, month = {FEB}, pages = {1881-1896}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A formal total synthesis of didemniserinolipid B was developed by employing a regioselective metal-mediated 6-endo-dig alkynol-cycloisomerization reaction. Two routes for the synthesis of key Burke{\textquoteright}s intermediate have been developed. Our initial approach involved the introduction of a C-17-allcynol followed by Pd-mediated cycloisomerization and then coupling with the serinol unit prior to the introduction of an alpha,beta-unsaturated ester unit through selective oxidation of 1 degrees-OH followed by a two-carbon Wittig homologation. Alternatively, the second generation strategy featuring the serinol coupling with the C-17-alkynol followed by alkyne addition to the epoxide and subsequent Au-mediated cycloisomerization of an acetonide protected alkynediol unit has been executed. This approach has avoided several late stage protection-deprotection events. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Alkynol-cycloisomerization, Bicyclic ketal, Gold catalysis, Palladium catalysis, Zipper reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.12.045}, author = {Das, Shyamsundar and Induvadana, Boddeti and Ramana, C. V.} } @article { ISI:000315707700003, title = {MgCl2 center dot 6CH(3)OH: a simple molecular adduct and its influence as a porous support for olefin polymerization}, journal = {ACS Catalysis}, volume = {3}, number = {3}, year = {2013}, month = {MAR}, pages = {303-311}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A single phase molecular adduct, MgCl2 center dot 6CH(3)OH has been synthesized using MgCl2 and the simplest alcohol, methanol. Structural, spectroscopic, and morphological studies have been carried out for a better understanding of the single phase MgCl2 center dot 6CH(3)OH adduct. C-13 CPMAS solid state NMR studies show all six methanol molecules are magnetically equivalent and present in a single environment around the Mg2+ center. Raman spectral analysis of the characteristic peak at 708 cm(-1) substantiates octahedral coordination of six CH3OH molecules around Mg2+. Solid state C-13 NMR measurements, made after heat treatment at different temperatures, have been utilized to understand the variations in CH3OH stoichiometry and coordination around Mg2+ with temperature. A titanated active catalyst, TiCl4 on MgCl2 center dot 6CH(3)OH, has also been synthesized and subjected to detailed characterizations. The active catalyst shows high surface area (102 m(2)/g) and mesoporosity. The titanated catalyst has been screened for ethylene polymerization reactions using different cocatalysts (R3Al; R= -CH3, -CH2CH3, and -CH2CH(CH3)(2)). A total of 7.25 kg of polyethylene per gram of catalyst has been obtained with Me3Al cocatalyst, which is six times higher in activity compared with commercial Me3Al/TiCl4/MgCl2 center dot 6EtOH-supported orted catalystAlthough porosity influences the catalytic activity, other factors also seem to contribute to the total catalytic activity.
}, keywords = {heterogeneous catalysis, MgCl2, Molecular adduct, olefin polymerization, Ziegler-Natta catalyst}, issn = {2155-5435}, doi = {10.1021/cs300730j}, author = {Gnanakumar, Edwin S. and Gowda, Ravikumar R. and Kunjir, Shrikant and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Chakraborty, Debashis and Gopinath, Chinnakonda S.} } @article { ISI:000314973700004, title = {Microbial oxidation of medium chain fatty alcohol in the synthesis of sophorolipids by candida bombicola and its physicochemical characterization}, journal = {Journal of Surfactants and Detergents}, volume = {16}, number = {2}, year = {2013}, month = {MAR}, pages = {173-181}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
Sophorolipids (SL) are glycolipid biosurfactants abundantly produced from different feedstocks by yeasts and have been widely developed for various applications. The amphipathic structures of sophorolipids imparts to them surfactant type properties. These biosurfactants are readily isolated in high yield and are nontoxic and biodegradable, which make them industrially interesting as surfactants or emulsifiers. Sophorolipid production was carried out using glucose as a hydrophilic source and lauryl alcohol C12-14, as a hydrophobic source by Candida bombicola (ATCC 22214). Process economics and environmental attractiveness was increased by using a low cost substrate. Optimization studies were carried out where the effect of glucose concentration, pH, temperature and metal ions on sophorolipid production was studied. Optimum production of sophorolipid obtained using lauryl alcohol (SLLA) was achieved after 96 h, the initial pH of the medium was 6.0 with 10 \% glucose at 30 A degrees C. Primary characterization of SLLA was done by FTIR. The SLLA showed high physicochemical properties in terms of the surface activities when compared with synthetic surfactants including dodecyl tetraethylene glycol ether and sodium lauryl sulfate. The surface tension of SLLA thus obtained was found to be 24 mN/m with a critical micellar concentration (CMC) value of 0.68 mg/L. Antimicrobial testing showed that SLLA have potent antimicrobial activity against both gram negative bacteria, Escherichia coli (ATCC 8739) and gram positive cocci, Staphylococcus aureuss (ATCC 2079).
}, keywords = {Biosurfactants, Candida bombicola, CMC, Lauryl alcohol C12-14, sophorolipids, Surface tension}, issn = {1097-3958}, doi = {10.1007/s11743-012-1378-4}, author = {Pulate, Vrushali Dengle and Bhagwat, Sunil S. and Prabhune, Asmita Ashutosh} } @article { ISI:000326900600015, title = {Mixed Co-Mn oxide-catalysed selective aerobic oxidation of vanillyl alcohol to vanillin in base-free conditions}, journal = {Chempluschem}, volume = {78}, number = {11}, year = {2013}, month = {NOV}, pages = {1384-1392}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Manganese-doped cobalt mixed oxide (MnCo-MO) catalyst was prepared by a solvothermal method. The as-prepared catalyst was characterised by X-ray photoelectron spectroscopy, H-2 temperature-programmed reduction, O-2 temperature-programmed oxidation and XRD. This catalyst gave 62\% conversion with 83\% selectivity to vanillin in 2hours for the liquid-phase air oxidation of vanillyl alcohol without using base. Three different types of metal oxides were observed in the prepared catalyst, which could be identified as Co3O4, Mn3O4 and CoMn2O4. Among these, the tetragonal phase of CoMn2O4 was found to be more active and selective for vanillyl alcohol oxidation than Co3O4 and Mn3O4. High-resolution TEM characterisation revealed the morphology of MnCo-MO nanorods with a particle size of 10nm. Successful recycling of the catalyst was also established in this oxidation reaction.
}, keywords = {aerobic oxidation, cobalt, heterogeneous catalysis, manganese, spinel phases}, issn = {2192-6506}, doi = {10.1002/cplu.201300247}, author = {Jha, Ajay and Patil, Kashinath R. and Rode, Chandrashekhar V.} } @article { ISI:000319458900005, title = {Modified zeolite immobilized palladium for ligand-free suzuki-miyaura cross-coupling reaction}, journal = {Journal of Organometallic Chemistry}, volume = {738}, year = {2013}, month = {AUG}, pages = {29-34}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A palladium-based catalyst supported on modified ZSM-5 was successfully prepared by a facile procedure. The prepared heterogeneous catalyst Pd@desilicated ZSM-5 showed an excellent catalytic activity at very low Pd loading (0.02 mol\%) for the ligand-free Suzuki-Miyaura coupling reactions of various aryl bromides affording excellent yields of the products. The prepared catalyst presents good recyclability, over four catalytic cycles. (C) 2013 Elsevier B. V. All rights reserved.
}, keywords = {heterogeneous catalysis, Suzuki-Miyaura reaction, zeolite}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2013.03.031}, author = {Kumbhar, Arjun and Kamble, Santosh and Mane, Anand and Jha, Ratnesh Kumar and Salunkhe, Rajashri} } @article { ISI:000324928000018, title = {Modular total synthesis of (+/-)-trigonoliimine C}, journal = {Chemical Communications}, volume = {49}, number = {84}, year = {2013}, month = {AUG}, pages = {9767-9769}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A convergent total synthesis of trigonoliimine C has been executed by employing three catalytic transformations in sequence. The key reactions that have been developed in this context include the [Au]-catalyzed addition of protected tryptamine to isatogens and the reduction of N-OH to NH with hydrazine monohydrate.
}, issn = {1359-7345}, doi = {10.1039/c3cc45512b}, author = {Reddy, B. Narendraprasad and Ramana, Chepuri V.} } @article { ISI:000324794900010, title = {Molecular characterization and differential expression studies of an oxidosqualene cyclase (OSC) gene of Brahmi (Bacopa monniera)}, journal = {Physiology and Molecular Biology of Plants}, volume = {19}, number = {4}, year = {2013}, month = {OCT}, pages = {547-553}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Triterpenoid saponins are the class of secondary metabolites, synthesized via isoprenoid pathway. Oxidosqualene cyclases (OSCs) catalyzes the cyclization of 2, 3-oxidosqualene to various triterpene skeletons, the first committed step in triterpenoid biosynthesis. A full-length oxidosqualene cyclase cDNA from Bacopa monniera (BmOSC) was isolated and characterized. The open reading frame (ORF) of BmOSC consists of 2,292 bp, encoding 764 amino acid residues with an apparent molecular mass of 87.62 kDa and theoretical pI 6.21. It contained four QxxxxxW motifs, one Asp-Cys-Thr-Ala-Glu (DCTAE) motif which is highly conserved among the triterpene synthases and another MWCYCR motif involved in the formation of triterpenoid skeletons. The deduced amino acid sequence of BmOSC shares 80.5 \% \& 71.8 \% identity and 89.7 \% \& 83.5 \% similarity with Olea europaea mixed amyrin synthase and Panax notoginseng dammarenediol synthase respectively. Phylogenetic analysis revealed that BmOSC is closely related with other plant OSCs. Quantitative real-time PCR (qRT-PCR) data showed that BmOSC is expressed in all tissues examined with higher expression in stem and leaves as compared to roots and floral parts.
}, issn = {0971-5894}, doi = {10.1007/s12298-013-0195-1}, author = {Vishwakarma, Rishi K. and Sonawane, Prashant and Singh, Somesh and Kumari, Uma and Ruby and Khan, Bashir Mohammad} } @article { ISI:000319073500006, title = {Molecular cloning, biochemical characterization, and differential expression of an acetyl-CoA C-acetyltransferase gene (AACT) of brahmi (Bacopa monniera)}, journal = {Plant Molecular Biology Reporter}, volume = {31}, number = {3}, year = {2013}, month = {JUN}, pages = {547-557}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Bacopa monniera (Brahmi) is an important Indian medicinal herb found in wet damp and marshy places. It produces medicinally important compounds known as bacosides along with alkaloids like brahmine and herpestine. Bacosides are triterpenoid saponins and their biosynthesis takes place via the isoprenoid pathway starting with acetyl-CoA. Acetyl-CoA C-acetyltransferase (AACT; EC 2.3.1.9), also known as acetoacetyl-CoA thiolase (Thiolase II), catalyzes the condensation of two acetyl-CoA to form 4-C compound acetoacetyl-CoA. Acetoacetyl-CoA is an important starting molecule for biosynthesis of various metabolites. Here, we report the cDNA cloning and characterization of acetyl-CoA C-acetyltransferase gene from B. monniera. The full-length gene was isolated using a RACE PCR protocol. The cDNA encoding AACT was designated as BmAACT (FJ947159) revealed an ORF of 1,218 bp and 405 amino acids, and shares 80 \% similarity with other plant AACTs. Phylogenetic analysis showed that BmAACT is related closely to other dicot plants AACTs. The BmAACT gene was over-expressed in Escherichia coli as a 6X His-tag fusion protein and purified to homogeneity by Ni-NTA and gel filtration chromatography. Activity of recombinant protein was confirmed by thiolytic cleavage of acetoacetyl-CoA in the presence of 5 mM Mg2+, showing K (m) and V (max) of 20.67 mu M and 96.21 mu mol/min, respectively, with high catalytic efficiency (k (cat) = 2.30 x 10(5) min(-1)). Quantitative real-time PCR analysis showed that the expression of BmAACT is tissue-specific, and accumulation of transcripts is greater in roots and petals, followed by sepals, stem, leaf and pedicel.
}, keywords = {Acetyl-CoA C-acetyltransferase, Bacopa monniera, Isoprenoid pathway, Triterpenoid saponin}, issn = {0735-9640}, doi = {10.1007/s11105-012-0523-6}, author = {Vishwakarma, Rishi K. and Ruby and Singh, Somesh and Sonawane, Prashant D. and Srivastava, Sameer and Kumari, Uma and Kumar, R. J. Santosh and Khan, Bashir Mohammad} } @article { ISI:000319221500007, title = {Molecular dynamics simulation studies of the structural response of an isolated A beta(1-42) monomer localized in the vicinity of the hydrophilic TiO2 surface}, journal = {European Biophysics Journal}, volume = {42}, number = {6}, year = {2013}, month = {JUN}, pages = {487-494}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
We have probed the effect of a model hydrophilic surface, rutile TiO2, on the full-length amyloid beta (A beta(1-42)) monomer using molecular dynamics simulations. The rutile surface brings about sharp changes in the peptide{\textquoteright}s intrinsic behavior in a distance-dependent manner. The intrinsic collapse of the peptide is disrupted, while the beta-sheet propensity is sharply enhanced with increased proximity to the surface. The results may have implications for A beta self-assembly and fibrillogenesis on hydrophilic surfaces and should be taken into consideration in the design of novel nanomaterials for perturbing amyloidogenic behavior.
}, keywords = {Amyloid beta, beta-Sheet propensity, molecular dynamics simulation, TiO2 rutile surface}, issn = {0175-7571}, doi = {10.1007/s00249-013-0900-6}, author = {Jose, Jaya C. and Sengupta, Neelanjana} } @article { ISI:000326615000007, title = {Molecular insights into resistance mechanisms of lepidopteran insect pests against toxicants}, journal = {Journal of Proteome Research}, volume = {12}, number = {11}, year = {2013}, month = {NOV}, pages = {4727-4737}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Insect pests remain a major reason for crop loss worldwide despite extensive use of chemical insecticides. More than B 50\% of all insecticides are organophosphates, followed by synthetic pyrethroids, organochlorines, carbamates, and biopesticides, and their continued use may have many environmental, agricultural, medical, and socioeconomic issues. Importantly, only a countable number of insects have acquired the status of crop pests, mostly due to monoculture of crop plants and polyphagous nature of the insects. We focus on A adaptations of Lepidopteran insects to phytochemicals and synthetic pesticides in native and modern agricultural systems. Because of heavy use of chemical insecticides, a strong selection pressure is imposed on insect populations, resulting in the emergence of resistance against candidate compound(s). Current knowledge suggests that insects generally implement a three-tier system to overcome the effect of toxic compounds at physiological, biochemical, and genetic levels. Furthermore, we have discussed whether the adaptation to phytochemicals provides an advantage to the insect while encountering synthetic insecticide molecules. Specific metabolic pathways employed by insects to convert deterrents into less toxic forms or their removal from the system are highlighted. Using the proteomics approach, insect proteins interacting with insecticides can be identified, and their modification in resistant insects can be characterized. Also, systems biology studies can offer useful cues to decipher the molecular networks participating in the metabolism of detrimental compounds.
}, keywords = {field crops, insect-pests, insecticide, Lepidoptera, proteomics, resistance mechanisms}, issn = {1535-3893}, doi = {10.1021/pr400642p}, author = {Dawkar, Vishal V. and Chikate, Yojana R. and Lomate, Purushottam R. and Dholakia, Bhushan B. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000330159500007, title = {Molecular interactions, proton exchange, and photoinduced processes prompted by an inclusion process and a [2]pseudorotaxane formation}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {18}, year = {2013}, month = {AUG}, pages = {9004-9012}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Appropriate design of the host and guest components allows formation of a novel [2]pseudorotaxane complex with an interrupted photoinduced electron transfer (PET)-coupled fluorescence resonance energy transfer (FRET) response. This is the first example of an inclusion complex with NO6-based azacrown ether as the host unit (H). Different guest molecules (G1, G2, G3, and G4) with varying stopper size are used for the studies. Unlike G1, G2, and G3, G4 with a relatively bulkier stopper fails to form a [2]pseudorotaxane complex. Isothermal titration microcaloiimetry measurements reveal a systematic increase in the association constant for H.G1, H.G2, and H.G3 with a change in the stopper size. Thermodynamic data suggest that the formation of H.G1/H.G2/H.G3 is exclusively driven by a large positive entropic gain (T Delta S = 19.69/26.80/21.81 kJ.mol(-1)), while the enthalpy change is slightly negative for H.G1/H.G3 (-2.61/-1.97 kJ.mol(-1)) and slightly positive for H.G2 (Delta H = 5.98 kJ.mol(-1)). For these three inclusion complexes, an interrupted PET-coupled FRET response is observed with varying efficiency, which is attributed to the subtle differences in acidity of the NH2+ unit of the guest molecules and thus the proton exchange ability between the host and respective guest. This is substantiated by the results of the computational studies.
}, issn = {0022-3263}, doi = {10.1021/jo400752d}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Kesharwani, Manoj K. and Gangopadhyay, Monalisa and Agrawal, Manoj and Boricha, Vinod P. and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000315516400021, title = {Molecular mapping of leaf rust resistance gene Lr15 in hexaploid wheat}, journal = {Molecular Breeding}, volume = {31}, number = {3}, year = {2013}, month = {MAR}, pages = {743-747}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Leaf rust is a widespread and commonly occurring rust disease of wheat. Genetic resistance is the most economical method of reducing losses due to leaf rust. Lr15 has been shown to be present on wheat chromosome 2D and is reported to be a seedling resistance gene. However, tightly linked markers associated with Lr15 have not been reported to date. To identify molecular markers linked to Lr15, an F-2 mapping population of Thatcher x Thatcher-Lr15 was generated. Available wheat simple sequence repeat markers were utilized in parental screening and polymorphic markers were used to analyze the entire population of 221 plants. Phenotypic evaluations of the F-2-derived F-3 progenies with Puccinia triticina Eriks. pathotype 162A (93R15) confirmed the monogenic inheritance of Lr15. The linkage group representing chromosome 2DS was constructed at LOD 4.0 which revealed the closest flanking markers Xgwm4562 and Xgwm102 at a distance of 3.1 and 9.3 cM, respectively. Furthermore, utilization of these flanking markers in combination has successfully identified wheat lines with or without Lr15. These markers could potentially be useful in gene pyramiding with other genes to enhance rust resistance in wheat.
}, keywords = {Disease resistance, Leaf rust, Marker-assisted selection, Simple sequence repeat, Wheat}, issn = {1380-3743}, doi = {10.1007/s11032-012-9813-9}, author = {Dholakia, Bhushan B. and Rajwade, A. V. and Hosmani, P. and Khan, R. R. and Chavan, S. and Reddy, D. M. R. and Lagu, Meena D. and Bansal, Urmil K. and Saini, R. G. and Gupta, V. S.} } @article { ISI:000319720700012, title = {Molecular-beacon-based screen for small molecule inhibitors of miRNA maturation}, journal = {ACS Chemical Biology}, volume = {8}, number = {5}, year = {2013}, month = {MAY}, pages = {930-938}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
miRNAs are small non-coding RNAs that regulate about 60\% of mammalian genes by modulating their transcript levels. Network scale studies of miRNA-mediated regulatory circuits demonstrate the central importance of this class of small RNA in the maintenance of biological robustness. More recently, several reports have described the deregulation of numerous miRNA to be causally associated with many diseases, including cancer. These studies have highlighted the potential for development of therapeutic modalities against miRNA. Previous screening protocols, for small molecules targeting miRNA function, are either costly or technically too complex to be applied in a high-throughput manner in standard chemical laboratories. We describe a simple in vitro screening method using a DNA-based molecular beacon that overcomes the limitations associated with earlier screens. We used this method to identify inhibitors of miR-27a function from a library of 14 aminoglycosides as a pilot study. Inhibitory molecules identified were further scrutinized to identify the validity of screen. With this proof of concept we illustrate the utility of a scalable molecular-beacon-based screening strategy for miRNA inhibitors.
}, issn = {1554-8929}, doi = {10.1021/cb300650y}, author = {Bose, Debojit and Jayaraj, Gopal Gunanathan and Kumar, Santosh and Maiti, Souvik} } @article { ISI:000319185000049, title = {Morphology and dynamics of carbon nanotube in polycarbonate carbon nanotube composite from dissipative particle dynamics simulation}, journal = {Macromolecules}, volume = {46}, number = {9}, year = {2013}, month = {MAY}, pages = {3631-3638}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Morphology and dynamics of carbon nanotube (CNT) in polycarbonate matrix with different mixing ratios are studied in mesoscale by using dissipative particle dynamics (DPD). We have used atomistic simulation to derive necessary interaction parameter for mesoscale DPD simulation for polycarbonate nanotube composite using Flory-Huggins theory. The diffusion and morphology of nanotubes in different concentrations (2\%, 5\%, 10\%) are investigated. Diffusivity of nano tubes in polymer matrices is explored at different temporal regimes of simulation. Diffusion of nanotubes becomes significantly slow when bundling of nanotubes takes place. The bundle formation of nanotubes is observed in all of three mixtures with varying degrees of assembling and alignment Bundle size analysis is performed to study the extent of bundling affinity of CNTs in different filler concentrations. Size of the bundles of nanotubes is more in higher nanotube concentrations. In the 10\% mixture percolation network is found to be formed by bundles of nanotubes.
}, issn = {0024-9297}, doi = {10.1021/ma302425s}, author = {Chakraborty, Souvik and Choudhury, Chandan Kumar and Roy, Sudip} } @article { ISI:000318468400029, title = {Morphology of carbon dioxide-hydrogen-cyclopentane hydrates with or without sodium dodecyl sulfate}, journal = {Crystal Growth \& Design}, volume = {13}, number = {5}, year = {2013}, month = {MAY}, pages = {2047-2059}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this study, effects of cyclopentane (CP) and sodium dodecyl sulfate (SDS) on the hydrate formation morphology were investigated. A gas mixture of 40.0 mol \% carbon dioxide and 60.0 mol \% hydrogen was used in an unstirred system with subcooling as the driving force. Experimental pressure is at 6.0 MPa and experimental temperatures used are at 275.65 and 277.65 K (Delta T = 15.15 and 13.15 K). Formation of hydrates started at the cyclopentane-liquid water interface. Cloud-like, equiaxed skewed dendritic, equiaxed orthogonal dendritic, long dendritic, and cactus-like crystals could be observed for the experiments in the absence of surfactants. Rapid hydrate formation was observed for the experiments with 0.9 mL CP with or without the presence of surfactants compared to the experiments with 0.45 mL CP system at the same experimental conditions. The addition of SDS had led to a change in the hydrate crystal morphology, forming fiber-like crystals from the hydrate layer. Hydrates had also shown affinity to metal surfaces and tend to grow rapidly because of better heat transfer capacity. Gas uptake measurements were found to correlate well with the morphological observations. On the basis of the morphological observations, the mechanism of the CO2-H-2-CP system in an unstirred system is presented.
}, issn = {1528-7483}, doi = {10.1021/cg400118p}, author = {Lim, Yu-An and Babu, Ponnivalavan and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000329153300077, title = {Morphology, polymorphism, and metal ion adsorption studies of electrospun nanofibers based on pvdf and organically modified layered double hydroxide}, journal = {Journal of Applied Polymer Science}, volume = {130}, number = {6}, year = {2013}, month = {DEC}, pages = {4508-4515}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Nonwoven nanofiber mats of polyvinylidene fluoride (PVDF) with modified layered double hydroxide (MLDH) were prepared by electrospinning. The fiber morphology was studied using scanning electron microscopy. X-ray diffraction and FTIR spectroscopy was used to characterize the polymorphism in electrospun mats. Fibers of diameter in the range 80-800 nm with beads of about 2-3 mu m size were observed for pure PVDF, while in case of PVDF/MLDH nanocomposites the number and size of beads were found to be significantly reduced. Uniform and fine nanofibers were obtained at lower content of MLDH, but slightly rough surface was seen for higher content. FTIR and X-ray diffraction patterns signify various crystalline forms of electrospun PVDF. The content of polar -crystalline phase of PVDF, which exhibit piezo and ferroelectric properties was found to be enhanced significantly due to reinforcement of MLDH. Use of these nanofiber mats for heavy metal Cu (II) removal was explored. (c) 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 4508-4515, 2013
}, keywords = {Adsorption, electrospinning, fibers}, issn = {0021-8995}, doi = {10.1002/app.39729}, author = {Birajdar, Mallinath S. and Wanjale, Santosh D. and Lonkar, Sunil P.} } @article { ISI:000328864800088, title = {Multicomponent reactions involving arynes, quinolines, and aldehydes}, journal = {Organic Letters}, volume = {15}, number = {17}, year = {2013}, month = {SEP}, pages = {4620-4623}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The multicomponent reaction involving arynes, quinolines, and aldehydes leading to the diastereoselective synthesis of benzoxazino quinoline derivatives in good yields proceeding via 1,4-zwitterionic intermediates is reported. In addition, the synthetic potential of various carbonyl compounds in this reaction as well as the utility of isoquinoline as the nucleophilic trigger has been examined.
}, issn = {1523-7060}, doi = {10.1021/ol4023134}, author = {Bhunia, Anup and Porwal, Digvijay and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000330613400001, title = {Multiphase flows with phase change foreword}, journal = {Sadhana-Academy Proceedings in Engineering Sciences}, volume = {38}, number = {6}, year = {2013}, month = {DEC}, pages = {1065-1066}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0256-2499}, author = {Ranade, Vivek V.} } @article { ISI:000318320300033, title = {Multipole moments using extended coupled cluster method}, journal = {Chemical Physics Letters}, volume = {568}, year = {2013}, month = {MAY}, pages = {170-175}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Using analytic extended coupled cluster (ECC) response approach quadrupole moments, dipole-quadrupole polarizabilities and dipole polarizabilities are studied. In the current implementation of the functional we have included all the double linked terms within (CCSD) approximation. These terms will be important for the accurate description of properties at the stretched geometries. We report the properties for carbon monoxide and hydrogen fluoride molecules, as a function of bond distance and compare our results for carbon monoxide with the full Cl results. We have also reported the properties of methane, tetrafluoromethane, acetylene, difluoroacetylene, water and ammonia. (C) 2013 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2013.03.013}, author = {Joshi, Sayali P. and Vaval, Nayana} } @article { ISI:000312889900035, title = {MuMoD: a bayesian approach to detect multiple modes of protein-DNA binding from genome-wide ChIP data}, journal = {Nucleic Acids Research}, volume = {41}, number = {1}, year = {2013}, month = {JAN}, pages = {21-32}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {
High-throughput chromatin immunoprecipitation has become the method of choice for identifying genomic regions bound by a protein. Such regions are then investigated for overrepresented sequence motifs, the assumption being that they must correspond to the binding specificity of the profiled protein. However this approach often fails: many bound regions do not contain the {\textquoteleft}expected{\textquoteright} motif. This is because binding DNA directly at its recognition site is not the only way the protein can cause the region to immunoprecipitate. Its binding specificity can change through association with different co-factors, it can bind DNA indirectly, through intermediaries, or even enforce its function through long-range chromosomal interactions. Conventional motif discovery methods, though largely capable of identifying overrepresented motifs from bound regions, lack the ability to characterize such diverse modes of protein-DNA binding and binding specificities. We present a novel Bayesian method that identifies distinct protein-DNA binding mechanisms without relying on any motif database. The method successfully identifies co-factors of proteins that do not bind DNA directly, such as mediator and p300. It also predicts literature-supported enhancer-promoter interactions. Even for well-studied direct-binding proteins, this method provides compelling evidence for previously uncharacterized dependencies within positions of binding sites, long-range chromosomal interactions and dimerization.
}, issn = {0305-1048}, doi = {10.1093/nar/gks950}, author = {Narlikar, Leelavati} } @article { ISI:000323014200005, title = {Nanoparticle size controls aggregation in lamellar nonionic surfactant mesophase}, journal = {Langmuir}, volume = {29}, number = {31}, year = {2013}, month = {AUG}, pages = {9643-9650}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We show that the size of silica nanoparticles influences the nature of their aggregation in an aqueous solution of a relatively hydrophobic nonionic surfactant, C12E4. We present results for dispersions of silica nanopartides with sizes varying from 8 to 26 nm, in a 75: 25 C12E4/water system, that forms a lamellar phase, L-alpha, at room temperature. Addition of silica particles does not affect the formation of the L-alpha phase. Nanoparticles smaller than about 11 nm aggregate irreversibly in the C12E4/water system. However, nanoparticles larger than about 15 nm aggregate in the L-alpha phase, but are dispersed at temperatures above the L-alpha order-disorder temperature. Thus, in contrast to the smaller particles, aggregation of silica nanopartides larger than about 15 nm is reversible with temperature. We use small-angle neutron scattering (SANS) demonstrate that these results can be explained by the size-dependent wrapping of nanoparticles by surfactant bilayers. Larger particles, above 15 nm in size, are sterically stabilized by the formation of an adsorbed surfactant bilayer. The cost of bilayer bending inhibits adsorption onto the highly curved surfaces of smaller particles, and these {\textquoteleft}{\textquoteleft}bare{\textquoteright}{\textquoteright} particles aggregate irreversibly.
}, issn = {0743-7463}, doi = {10.1021/la4021977}, author = {Venugopal, Edakkal and Aswal, Vinod K. and Kumaraswamy, Guruswamy} } @article { ISI:000318315100006, title = {Nanostructured crystalline comb polymer of perylenebisimide by directed self-assembly: poly(4-vinylpyridine)-pentadecylphenol perylenebisimide}, journal = {Advanced Functional Materials}, volume = {23}, number = {16}, year = {2013}, month = {APR}, pages = {2033-2043}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Well defined nanostructured polymeric supramolecular assemblies are formed when an asymmetric perylenebisimide substituted with ethylhexyl chains on one end and functionalized with 3-pentadecylphenol at the other termini (PDP-UPBI) is complexed with poly(4-vinylpyridine) (P4VP) via a non-covalent specific interaction such as hydrogen-bonding. The resulting P4VP(PDP-UPBI)(n) complexes are fully solution processable. The bulk structure and morphologies of the supramolecular film studied using small angle and wide angle X-ray scattering reveals highly crystalline nature of the complex. Thin film morphology of the 1:1 complex analyzed using transmission electron microscopy shows uniform lamellar structures in the domain range of 5-10 nm. A clear trend of improved electrical parameters in P4VP(PDP-UPBI) system compared to pristine (PDP-UPBI) is observed from space charge limited current measurements. In short, a simple and facile method to obtain spatially defined organization of n-type semiconductor perylenebisimide molecules using hydrogen bonding interactions with P4VP as the structural motif is showcased herein.
}, issn = {1616-301X}, doi = {10.1002/adfm.201202366}, author = {Narayan, Rekha and Kumar, Prashant and Narayan, K. S. and Asha, S. K.} } @article { ISI:000314748100011, title = {Necking in extrusion film casting: the role of macromolecular architecture}, journal = {Journal of Rheology}, volume = {57}, number = {2}, year = {2013}, month = {MAR}, pages = {559-583}, publisher = {JOURNAL RHEOLOGY AMER INST PHYSICS}, address = {STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA}, abstract = {
Extrusion film casting (EFC) is used on an industrial scale to produce several thousand tons of polymer films and coatings. While significant research has been carried out on necking of films of viscoelastic melts in EFC, the influence of macromolecular chain architecture on the necking behavior is not yet fully understood. In the present research, we have explored experimentally and theoretically the effects of long chain branching and molecular weight distribution on the extent of necking during EFC. Polyethylenes of essentially linear architecture but having narrow and broad molecular weight distributions, and polyethylenes having long chain branching were used for experimental studies. The EFC process was analyzed using the one-dimensional flow model of Silagy et al. [Polym. Eng. Sci. 36(21), 2614-2625 (1996)] in which multimode molecular constitutive equations namely the {\textquoteleft}{\textquoteleft}extended pom-pom{\textquoteright}{\textquoteright} equation (for long chain branched polymer melts) and the {\textquoteleft}{\textquoteleft}Rolie-Poly (Rouse linear entangled polymers){\textquoteright}{\textquoteright} equation (for linear polymer melts) were incorporated. We show that the model qualitatively captures the salient features of the experimental data thereby elucidating the role of chain architecture on the extent of necking. (C) 2013 The Society of Rheology. [http://dx.doi.org/10.1122/1.4788911]
}, issn = {0148-6055}, doi = {10.1122/1.4788911}, author = {Pol, Harshawardhan V. and Thete, Sumeet Suresh and Doshi, Pankaj and Lele, Ashish K.} } @article { ISI:000323475400001, title = {New 2,2-diphenylpropane and ethoxylated aromatic monoterpenes from Lavandula gibsoni (Lamiaceae)}, journal = {Natural Product Research}, volume = {27}, number = {15}, year = {2013}, month = {AUG}, pages = {1323-1329}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
A new substituted 2,2-diphenylpropane (1) and two new ethoxylated aromatic monoterpene alcohols (2 and 4) have been isolated from the acetone extract of the aerial parts of Lavandula gibsoni, along with the known compounds 8-hydroxycarvacrol (3), 8-hydroxythymol (5), coumarin (6), 4-methylresorcinol (7), 7,4-dimethylapigenin (8), salvigenin (9), -sitosteryl-3-O{\textendash}D-glucopyranosyl-6-O-palmitate (10) and euscaphic acid D (11). The structures of the isolated compounds were assigned on the basis of their H-1- and C-13-NMR spectra and two-dimensional NMR techniques, which included COSY, HSQC, HMBC and NOESY experiments and comparison with the reported literature.
}, keywords = {2, 2-diphenylpropane, aromatic monoterpene alcohols, Lamiaceae, Lavandula gibsoni}, issn = {1478-6419}, doi = {10.1080/14786419.2012.738203}, author = {Kulkarni, Roshan R. and Joshi, Swati P.} } @article { ISI:000325552900018, title = {New chemodosimetric probe for the specific detection of Hg2+ in physiological condition and its utilisation for cell imaging studies}, journal = {Dalton Transactions}, volume = {42}, number = {42}, year = {2013}, month = {JUL}, pages = {15097-15105}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A dithiane derivative of BODIPY is synthesized. This new reagent could be used for the specific and instantaneous detection of Hg2+ in physiological condition. This dithiane reagent reacts specifically with Hg2+ to regenerate the parent BODIPY-aldehyde with consequential change in visually detectable optical responses and this provides the possibility of using this reagent as a colorimetric probe or as a fluorescent biomarker/imaging reagent. Further, non-covalent interactions could be utilized for formation of an inclusion complex with biologically benign beta-cyclodextrin for enhancing its solubility in aqueous environment and this included adduct could be used as a fluorescent marker and imaging reagent for Hg2+. Uptake of Hg2+ ions in live HeLa cells, exposed to a solution having Hg2+ ion concentration as low as 2 ppb, could also be detected by confocal laser microscopic studies.
}, issn = {1477-9226}, doi = {10.1039/c3dt51744f}, author = {Saha, Sukdeb and Agarwalla, Hridesh and Gupta, Hariom and Baidya, Mithu and Suresh, E. and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000326465600015, title = {New dipyranocoumarin from the leaves of calophyllum apetalum willd}, journal = {Natural Product Research}, volume = {27}, number = {20}, year = {2013}, month = {OCT}, pages = {1896-1901}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
A new dipyranocoumarin, -hydroxytomentolide A (1) was isolated from the leaves of Calophyllum apetalum together with the known compounds friedelin (2), apetalactone (3), inophyllum C (4) and canophyllol (5). The structure of the new compound was established by spectroscopic studies which include H-1 NMR, C-13 NMR, NOESY, HetCOSY, COLOC experiments and single crystal X-ray diffraction analysis.
}, keywords = {-hydroxytomentolide A, Calophyllum apetalum, dipyranocoumarins, Guttiferae, Triterpenoids}, issn = {1478-6419}, doi = {10.1080/14786419.2013.784869}, author = {Joshi, Swati P. and Kulkarni, Smita R. and Phalgune, Usha D. and Puranik, Vedavati G.} } @article { ISI:000327312400019, title = {New enantioselective synthesis of the anticonvulsant drug pregabalin (lyrica) based on a hydrolytic kinetic resolution method}, journal = {Chirality}, volume = {25}, number = {12}, year = {2013}, month = {DEC}, pages = {965-969}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A practical and efficient enantioselective synthesis of the anticonvulsant drug pregabalin is described for the first time using Jacobsen{\textquoteright}s hydrolytic kinetic resolution of a terminal epoxide as a key step and a source of chirality. Chirality 25:965-969, 2013. (c) 2013 Wiley Periodicals, Inc.
}, keywords = {anticonvulsant drug, Hydrolytic kinetic resolution, pregabalin}, issn = {0899-0042}, doi = {10.1002/chir.22253}, author = {Mujahid, Mohammad and Muthukrishnan, Murugan} } @article { ISI:000325924000001, title = {New organosoluble aromatic poly(esterimide)s containing pendent pentadecyl chains: synthesis and characterization}, journal = {High Performance Polymers}, volume = {25}, number = {7}, year = {2013}, month = {NOV}, pages = {735-743}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {
A new diimide dicarboxylic acid, namely 2,2-(4-pentadecyl-1,3-phenylene)bis(1,3-dioxoisoindoline-5-carboxylic acid), containing preformed imide rings and pentadecyl chain, was synthesized by the reaction of 4-pentadecylbenzene-1,3-diamine with trimellitic anhydride. A series of new aromatic poly(esterimide)s (PEIs) was synthesized using diphenylchlorophosphate-activated direct polycondensation of 2,2-(4-pentadecyl-1,3-phenylene)bis(1,3-dioxoisoindoline-5-carboxylic acid), with five commercially available bisphenols, namely 4,4-isopropylidenediphenol (I), 4,4-(hexafluoroisopropylidene)diphenol (II), 4,4-oxydiphenol (III), 4,4-biphenol (IV), and 4,4-(9-fluorenylidene)diphenol (V) in the presence of pyridine and lithium chloride. Inherent viscosities of PEIs were in the range 0.54-0.83dLg(-1) in chloroform (CHCl3) at 30 +/- 0.1 degrees C. PEIs containing pendent pentadecyl chains were soluble in organic solvents such as CHCl3, m-cresol, N, N-dimethylacetamide, 1-methyl-2-pyrrolidinone, pyridine, and nitrobenzene. Tough, transparent, and flexible films of PEIs could be cast from their CHCl3 solutions. PEIs exhibited glass transition temperature in the range 145-198 degrees C. The temperature at 10\% weight loss of PEIs, determined by thermogravimetric analysis under the nitrogen atmosphere, was in the range of 450-470 degrees C indicating good thermal stability.
}, keywords = {pendent pentadecyl chains, Polycondensation, Polyimide, Preformed imide rings, Thermogravimetric analysis}, issn = {0954-0083}, doi = {10.1177/0954008313483344}, author = {Sadavarte, Nilakshi V. and Patil, Sachin S. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article { ISI:000327360600071, title = {New porous material to enhance the kinetics of clathrate process: application to precombustion carbon dioxide capture}, journal = {Environmental Science \& Technology}, volume = {47}, number = {22}, year = {2013}, month = {NOV}, pages = {13191-13198}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this work, the performance of a new porous medium, polyurethane (PU) foam in a fixed bed reactor for carbon dioxide separation from fuel gas mixture using the hydrate based gas separation process is evaluated. The kinetics of hydrate formation in the presence of 2.5 mol \% propane as thermodynamic promoter was investigated at 4.5, 5.5, and 6.0 MPa and 274.2 K. Significantly higher gas consumption and water conversion to hydrate was achieved when PU foam was employed. PU foam as a porous medium can help convert 54\% of water to hydrate in two hours of hydrate formation. In addition the induction times were very low (\<3.67 min at 6.0 MPa). A normalized rate of hydrate formation of 64.48 (+/- 3.82) mol.min(-1).m(-3) was obtained at 6.0 MPa and 274.2 K. Based on a morphological study, the mechanism of hydrate formation from water dispersed in interstitial pore space of the porous medium is presented. Finally, we propose a four step operation of the hydrate based gas separation process to scale up.
}, issn = {0013-936X}, doi = {10.1021/es403516f}, author = {Babu, Ponnivalavan and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000324928000035, title = {New receptor with a FRET based fluorescence response for selective recognition of fumaric and maleic acids in aqueous medium}, journal = {Chemical Communications}, volume = {49}, number = {84}, year = {2013}, month = {AUG}, pages = {9818-9820}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Preferential binding of a new reagent to fumaric acid could be utilized for its estimation in aqueous medium and in commercial fruit juice.
}, issn = {1359-7345}, doi = {10.1039/c3cc45051a}, author = {Reddy, Upendar G. and Lo, Rabindranath and Roy, Sovan and Banerjee, Tanmay and Ganguly, Bishwajit and Das, Amitava} } @article {42491, title = {Newly designed resorcinolate binding for Ru(II)- and Re(I)- polypyridyl complexes on oleic acid capped tio2 in non-aqueous solvent: prolonged charge separation and substantial thermalized 3MLCT injection}, journal = {Journal of Physical Chemistry C}, volume = {117}, year = {2013}, month = {JAN}, pages = {3084{\textendash}3092}, abstract = {
Femtosecond pump{\textendash}probe spectroscopic studies on a series of newly synthesized resorcinol-based Ru(II) and Re(I) complexes on oleic acid capped TiO2 nanoparticles have been carried out in chloroform, and the results are compared with those of the catechol analogues. The ruthenium complex shows biexponential injection; the second component arises due to injection from the thermally equilibrated 3MLCT states as a result of a weaker strength of the resorcinolate binding. Also, in comparison with catechol binding, as a result of a greater diffusion of the injected electrons into TiO2, the back electron transfer (BET) is slowed down significantly for the ruthenium complex. These are distinctive observations for any mononuclear ruthenium{\textendash}polypyridyl{\textendash}enediol complex reported thus far. However, the rhenium complex educes single exponential ultrafast injection (\<120 fs) because of apparent injection in a high density of states and shows the most prominent results with \~{}50\% slowdown in the charge recombination rate as compared to the analogous catechol bound system. These results exemplify the probable development of highly capable sensitizer dyes with resorcinol as the anchoring group for the development of efficient dye-sensitized solar cells.
}, doi = {10.1021/jp310570n}, author = {Banerjee, Tanmay and Kaniyankandy, Sreejith and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000317327900086, title = {NHC-Catalyzed reaction of enals with hydroxy chalcones: diastereoselective synthesis of functionalized coumarins}, journal = {Organic Letters}, volume = {15}, number = {7}, year = {2013}, month = {APR}, pages = {1756-1759}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The N-heterocyclic carbene-catalyzed annulation of enals with 2{\textquoteright}-hydroxy chalcones afford cyclopentane-fused coumarin derivatives with an excellent level of diastereocontrol. The reaction tolerates a broad range of functional groups; 25 examples are given, and a preliminary mechanistic investigation is provided.
}, issn = {1523-7060}, doi = {10.1021/ol400562z}, author = {Bhunia, Anup and Patra, Atanu and Puranik, Vedavati G. and Biju, Akkattu T.} } @article { ISI:000313513400013, title = {N-Heterocyclic carbene catalyzed esterification of aromatic aldehydes with alcohols under aerobic conditions}, journal = {RSC Advances}, volume = {3}, number = {6}, year = {2013}, month = {DEC}, pages = {1695-1698}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple, organocatalytic procedure for the direct oxidative esterification of a variety of aromatic aldehydes with alcohols has been described that affords the corresponding aromatic esters in high yields. The method employs N-heterocyclic carbenes as catalysts and molecular O-2 as an oxidant under ambient conditions.
}, issn = {2046-2069}, doi = {10.1039/c2ra22718e}, author = {Kiran, I. N. Chaithanya and Lalwani, Komal G. and Sudalai, Arumugam} } @article { ISI:000318393000028, title = {N-Heterocyclic carbene catalyzed oxidative stannylation of aldehydes: a facile entry to organotin(IV) carboxylates}, journal = {Tetrahedron Letters}, volume = {54}, number = {21}, year = {2013}, month = {MAY}, pages = {2679-2681}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple protocol is described for the oxidative transformation of aldehydes to the corresponding organotin(IV) carboxylates in high yields (up to 90\%) that utilizes atmospheric O-2 as the sole oxidant, N-heterocyclic carbene as catalyst (at 10 mol \%), and tributyl tin chloride as stannylating agent. The uniqueness of the reaction lies in the direct conversion of aldehydes to the corresponding organotin(IV) carboxylates via stannylation of carboxylic acids, generated from the reaction of a Breslow intermediate with O-2. (c) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Carboxylic acid stannanes, N-Heterocyclic carbene, Oxidative stannylation, oxygen, Tributyltin chloride}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.03.050}, author = {Reddi, Rambabu N. and Malekar, Pushpa V. and Sudalai, Arumugam} } @article { ISI:000325194900006, title = {N-Heterocyclic carbene catalyzed regioselective oxo-acyloxylation of alkenes with aromatic aldehydes: a high yield synthesis of alpha-acyloxy ketones and esters}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {38}, year = {2013}, month = {OCT}, pages = {6477-6482}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An N-heterocyclic carbene (NHC)-catalyzed reaction of alkenes with aromatic aldehydes providing for a high yield synthesis of alpha-acyloxy ketones and esters has been described. This unprecedented regioselective oxidative process employs NBS and Et3N in stoichiometric amounts and O-2 (1 atm) as an oxidant under ambient conditions in DMSO as a solvent.
}, issn = {1477-0520}, doi = {10.1039/c3ob41551a}, author = {Reddi, Rambabu N. and Malekar, Pushpa V. and Sudalai, Arumugam} } @article { ISI:000324909200005, title = {Nitrite reductase NirBD is induced and plays an important role during in vitro dormancy of mycobacterium tuberculosis}, journal = {Journal of Bacteriology}, volume = {195}, number = {20}, year = {2013}, month = {OCT}, pages = {4592-4599}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {
Mycobacterium tuberculosis is one of the strongest reducers of nitrate among all mycobacteria. Reduction of nitrate to nitrite, mediated by nitrate reductase (NarGHJI) of M. tuberculosis, is induced during the dormant stage, and the enzyme has a respiratory function in the absence of oxygen. Nitrite reductase (NirBD) is also functional during aerobic growth when nitrite is the sole nitrogen source. However, the role of NirBD-mediated nitrite reduction during the dormancy is not yet characterized. Here, we analyzed nitrite reduction during aerobic growth as well as in a hypoxic dormancy model of M. tuberculosis in vitro. When nitrite was used as the sole nitrogen source in the medium, the organism grew and the reduction of nitrite was evident in both hypoxic and aerobic cultures of M. tuberculosis. Remarkably, the hypoxic culture of M. tuberculosis, compared to the aerobic culture, showed 32- and 4-fold-increased expression of nitrite reductase (NirBD) at the transcription and protein levels, respectively. More importantly, a nirBD mutant of M. tuberculosis was unable to reduce nitrite and compared to the wild-type (WT) strain had a \>2-log reduction in viability after 240 h in the Wayne model of hypoxic dormancy. Dependence of M. tuberculosis on nitrite reductase (NirBD) was also seen in a human macrophage-based dormancy model where the nirBD mutant was impaired for survival compared to the WT strain. Overall, the increased expression and essentiality of nitrite reductase in the in vitro dormancy models suggested that NirBD-mediated nitrite reduction could be critical during the persistent stage of M. tuberculosis.
}, issn = {0021-9193}, doi = {10.1128/JB.00698-13}, author = {Akhtar, Shamim and Khan, Arshad and Sohaskey, Charles D. and Jagannath, Chinnaswamy and Sarkar, Dhiman} } @article { ISI:000327481200002, title = {Noble metal promoted CeO2-ZrO2-supported ni catalysts for liquid-phase hydrogenation of cinnamaldehyde}, journal = {Catalysis Letters}, volume = {143}, number = {12}, year = {2013}, month = {DEC}, pages = {1266-1276}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Pd or Pt promoted CeO2-ZrO2-supported Ni catalysts exhibited superior catalytic activity to the hitherto known Ni catalysts for liquid-phase hydrogenation of cinnamaldehyde at moderate conditions. Under similar experimental conditions, the unpromoted catalyst was selective for hydrocinnamaldehyde product (C=C hydrogenation) whereas the promoted catalyst yielded 3-phenyl propanol (C=C and C=O hydrogenation product). Enhanced dispersion of Ni was the cause for higher activity of the promoted Ni catalysts.
}, keywords = {Ceria-zirconia, Cinnamaldehyde, Noble metal promoted catalyst, Selective hydrogenation, Supported Ni catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-013-1064-9}, author = {Bhogeswararao, Seemala and Kumar, V. Pavan and Chary, K. V. R. and Srinivas, D.} } @article { ISI:000316969500085, title = {Non-monotonic size dependence of diffusion and levitation effect: a mode-coupling theory analysis}, journal = {Journal of Chemical Physics}, volume = {138}, number = {12}, year = {2013}, month = {MAR}, pages = {124505}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
We present a study of diffusion of small tagged particles in a solvent, using mode coupling theory (MCT) analysis and computer simulations. The study is carried out for various interaction potentials. For the first time, using MCT, it is shown that only for strongly attractive interaction potential with allowing interpenetration between the solute-solvent pair the diffusion exhibits a non-monotonic solute size dependence which has earlier been reported in simulation studies [P. K. Ghorai and S. Yashonath, J. Phys. Chem. B 109, 5824-5835 (2005)]. For weak attractive and repulsive potential the solute size dependence of diffusion shows monotonic behaviour. It is also found that for systems where the interaction potential does not allow solute-solvent interpenetration, the solute cannot explore the neck of the solvent cage. Thus these systems even with strong attractive interaction will never show any non-monotonic size dependence of diffusion. This non-monotonic size dependence of diffusion has earlier been connected to levitation effect [S. Yashonath and P. Santikary, J. Phys. Chem. 98, 6368 (1994)]. We also show that although levitation is a dynamic phenomena, the effect of levitation can be obtained in the static radial distribution function. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4796232]
}, issn = {0021-9606}, doi = {10.1063/1.4796232}, author = {Nandi, Manoj Kumar and Banerjee, Atreyee and Bhattacharyya, Sarika Maitra} } @article { ISI:000325950600094, title = {Novel and efficient synthesis of azaarene-substituted 3-hydroxy-2-oxindoles via sp(3) C-H functionalization of 2-methyl azaarenes and (2-azaaryl)methanes over a heterogeneous, reusable silica-supported dodecatungstophosphoric acid catalyst}, journal = {RSC Advances}, volume = {3}, number = {43}, year = {2013}, month = {AUG}, pages = {20281-20286}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel and efficient protocol has been developed for the synthesis of azaarene-substituted 3-hydroxy-2-oxindoles via sp(3) C-H functionalization of 2-methyl azaarenes and (2-azaaryl)methanes with isatin in good to excellent yield. This is the first example in which heterogeneous, reusable silica supported dodecatungstophosphoric acid (DTP/SiO2) catalyzed sp(3) C-H functionalization of 2-substituted azaarenes and (2-azaaryl)methanes.
}, issn = {2046-2069}, doi = {10.1039/c3ra43515f}, author = {Mulla, Shafeek Abdul Rashid and Pathan, Mohsinkhan Y. and Chavan, Santosh S.} } @conference { ISI:000317266700656, title = {Novel, band-controlled metal oxide compositions for semiconductor-mediated photocatalytic splitting of water to produce H-2}, booktitle = { 57th DAE Solid State Physics Symposium}, series = {AIP Conference Proceedings}, volume = {1512}, year = {2013}, note = {57th DAE Solid State Physics Symposium, Indian Inst Technol, Bombay, INDIA, DEC 03-07, 2012}, month = {FEB}, pages = {1321}, publisher = {Gov India, Dept Atom Energy (DAE), Board Res Nucl Sci (BRNS)}, organization = {Gov India, Dept Atom Energy (DAE), Board Res Nucl Sci (BRNS)}, address = {Indian Institute of Bombay, India }, isbn = {978-0-7354-1133-3}, issn = {0094-243X}, doi = {10.1063/1.4791546}, author = {Gupta, Narendra M.}, editor = {Chauhan, A. K. and Murli, C. and Gadkari, S. C.} } @article {43364, title = {Novel green bio-milling technique for the synthesis of BaTiO3 nanoparticle using Saccharomyces cerevisiae}, journal = {International Journal of Innovative Biological Research}, volume = {2}, year = {2013}, month = {JAN}, pages = {1-5}, abstract = {The development of a novel green top-down approach called bio-milling for synthesizing the oxide nanomaterials is an issue of topical interest. While a number of chemical processes are energy intensive and involve toxic chemicals. Here we report, at room temperature, bio-milling of chemically synthesized barium titinate (BaTiO3) particles by challenging the fungus Saccharomyces cerevisiae against aqueous solution of BaTiO3 to synthesize the biogenic nanoparticles. The extracellular breaking of microscaled BaTiO3 particles by extracellular biomolecules/proteins secreted by the fungus under stressed condition results in the formation of particles in nanoregime. XRD spectra and TEM analysis showed that BaTiO3 particles reduce to their size during the interaction with the fungus Saccharomyces cerevisiae and maintaining their phase and crystallinity after bio-milling process.}, author = {Uddin, Imran and Jaiswal, Adhish and Poddar, Pankaj} } @article { ISI:000323761100009, title = {Novel mechanism for antiglycative action of limonene through stabilization of protein conformation}, journal = {Molecular Biosystems}, volume = {9}, number = {10}, year = {2013}, month = {JUN}, pages = {2463-2472}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Inhibition of protein glycation is known to ameliorate secondary complications in diabetes. In the present study antiglycative properties of limonene, a natural product, were evaluated using BSA as a model protein. AMG (aminoguanidine) was used as a positive control. Measurement of total AGEs (Advanced Glycation End-products) and specific AGEs revealed that limonene could inhibit protein glycation to the extent of 56.3\% and 75.1\% respectively at 50 mu M concentration as against 54.4\% and 82.2\% by AMG at 1 mM. Congo red binding and CD (Circular Dichroism) analysis revealed inhibition of alpha-helix to beta-sheet transition wherein 18.5\% beta-sheet structures were observed in glycated BSA (bovine serum albumin) as against 4.9\% with limonene. Glycation of protein in the presence of urea was enhanced by 18\%, while in the presence of limonene it was reduced by 23\% revealing the stabilizing effect of limonene. Electrophoretic mobility was similar to the normal control and a zeta potential value of -12.1 mV as against -15.1 mV in diabetic control was observed. Inhibition of glycation in limonene treated samples was confirmed through LC-MS analysis wherein AGEs such as pentosidine, CML (N-epsilon-(carboxymethyl)lysine), CEL (N-epsilon-(carboxyethyl) lysine), MOLD (methylglyoxal-lysine dimer) and imidazolone observed in glycated samples were absent in limonene treated samples. PatchDock studies revealed that limonene could bind to the major glycation sites IB, IIA and IIB sub domains and AMG to the IIIA sub domain. Thus limonene is a potent protein glycation inhibitor that prevents protein glycation through a novel mechanism of stabilization of protein structure through hydrophobic interactions.
}, issn = {1742-206X}, doi = {10.1039/c3mb00020f}, author = {Joglekar, Madhav M. and Panaskar, Shrimant N. and Chougale, Ashok D. and Kulkarni, Mahesh J. and Arvindekar, Akalpita U.} } @article { ISI:000314791100023, title = {Novel vanadium n-propylamino phosphate catalyst: synthesis, characterization and applications}, journal = {Materials Research-Ibero-American Journal of Materials}, volume = {16}, number = {1}, year = {2013}, month = {JAN}, pages = {181-189}, publisher = {UNIV FED SAO CARLOS, DEPT ENGENHARIA MATERIALS}, address = {LABORATORIA DE MATERIAIS VITREOS, CAIXA POSTAL 676, SAO CARLOS, 13565-905SP, BRAZIL}, abstract = {
A novel, lamellar type Vanadium n-propylamino phosphate catalyst is synthesized and characterized by using various physicochemical techniques such as Powder X-ray diffraction, Scanning electron microscopy/Energy dispersive X-ray analysis, Thermogravimetry/Differential thermal analysis, Fourier transform Infrared analysis, Electron spin resonance spectroscopy, Ultraviolet - Visible Diffuse reflectance spectroscopy, X-ray Photoelectron spectroscopy, P-31 Magic angle spinning Nuclear Magnetic Resonance spectroscopy and Catalytic applications toward Octahydroquinazolinone synthesis. It is found that the n-propylamine is present as sandwich between Vanadyl phosphate layers. Most of the Vanadium is present as V4+ ions in tetrahedral co-ordination. Vanadium n-propylamino phosphate catalyses Octahydroquinazolinone synthesis more effeciently and the optimum conditions required for Octahydroquinazolinone synthesis are, Benzaldehyde (2 mmol), Dimedone (2 mmol), Urea (4 mmol), Methanol + Water (1:1, 5 mL) and Catalyst (0.05 g). A plausible mechanism is also proposed.
}, keywords = {n-propylamino phosphate, octahydroquinazolinones, synthesis, Vanadium}, issn = {1516-1439}, doi = {10.1590/S1516-14392012005000161}, author = {Anumula, Rajini and Nookaraju, Muralasetti and Selvaraj, Kaliaperumal and Reddy, Ingala Ajit Kumar and Narayanan, Venkatathri} } @article { ISI:000315818200024, title = {One pot room temperature synthesis of robust gold nanochains}, journal = {RSC Advances}, volume = {3}, number = {13}, year = {2013}, month = {JAN}, pages = {4261-4270}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report a room temperature reduction and stabilization of gold nanoparticles (AuNPs) from auric chloride in the presence of 1.5 and 3 mM linear poly(amidoamine) (PAmAm), which leads to 1D assembly of AuNPs. At higher concentrations, isolated AuNPs are formed. Detailed investigations show that the morphology is governed primarily by pH rather than concentration. This is the first report to demonstrate the stability of nanochains against pH switching. The nanochains are robust as revealed by stability at higher temperature, salt concentration, thiol exchange, and would be useful in developing electronic devices for biological applications.
}, issn = {2046-2069}, doi = {10.1039/c3ra22803g}, author = {Biradar, Satish C. and Kulkarni, Mohan G.} } @article { ISI:000313694200024, title = {One pot solvent free synthesis and in vitro antitubercular screening of 3-aracylphthalides against mycobacterium tuberculosis}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {23}, number = {3}, year = {2013}, month = {FEB}, pages = {711-714}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
One pot synthesis of 3-Aracylphthalide was accomplished in good yield by reacting 2-carboxy benzaldehyde with various aromatic methyl ketones in presence of methane sulphonic acid. Various phthalides thus obtained were characterized with spectral techniques. These phthalides were subjected to in vitro antitubercular screening against Mycobacterium tuberculosis H37Ra (MTB) by using XRMA protocol. Among the phthalides screened, four exhibited half maximal inhibitory concentration (IC50) in the range of 0.81-1.24 mu g/ml thereby providing potential lead compounds for future drug discovery studies. (c) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {3-Aracylphthalide, Antitubercular activity, Methane sulphonic acid, One pot synthesis}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2012.11.097}, author = {Limaye, Rohan A. and Kumbhar, Virendra B. and Natu, Arun D. and Paradkar, Madhusudan V. and Honmore, Varsha S. and Chauhan, Rubia R. and Gample, Suvarna P. and Sarkar, Dhiman} } @article { ISI:000316238400025, title = {One pot synthesis, growth mechanism and optical properties of Zn1-xCdxSe graded core/shell and alloy nanocrystals}, journal = {Journal of Luminescence}, volume = {135}, year = {2013}, month = {MAR}, pages = {154-159}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Comparatively higher photoluminescence yield along with robustness of core/shell semiconductor nanocrystals make them attractive candidates for studying intricate quantum size effects. Here, we report, one pot synthesis of Zn1-xCdxSe graded core/shell structures by exploiting change in the reactivity of precursors. Optical and structural measurements indicate formation of graded structure. Growth mechanism probed by inductively coupled plasma atomic emission spectroscopy shows formation of graded core/shell structure, with CdSe rich core and ZnSe rich shell. Annealing these nanocrystals, in chemical bath, leads to diffusion of Cd from core to shell region. Formation of Zn1-xCdxSe alloy is also observed in X-ray photoelectron spectroscopic measurements, confirming the diffusion of Cd from core to shell region. Substantially high photoluminescence quantum efficiency of 60\% with narrow line width of about 27 nm, was observed and is attributable to the reduced strain due to graded core/shell structure. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Graded core/shell, II-VI Semiconductor, Luminescence, Optical properties, Semiconductor alloy}, issn = {0022-2313}, doi = {10.1016/j.jlumin.2012.10.042}, author = {Sonawane, Kiran G. and Patil, K. R. and Mahamuni, Shailaja} } @article { ISI:000316351800012, title = {One size does not fit all: on how markov model order dictates performance of genomic sequence analyses}, journal = {Nucleic Acids Research}, volume = {41}, number = {3}, year = {2013}, month = {FEB}, pages = {1416-1424}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {
The structural simplicity and ability to capture serial correlations make Markov models a popular modeling choice in several genomic analyses, such as identification of motifs, genes and regulatory elements. A critical, yet relatively unexplored, issue is the determination of the order of the Markov model. Most biological applications use a predetermined order for all data sets indiscriminately. Here, we show the vast variation in the performance of such applications with the order. To identify the {\textquoteleft}optimal{\textquoteright} order, we investigated two model selection criteria: Akaike information criterion and Bayesian information criterion (BIC). The BIC optimal order delivers the best performance for mammalian phylogeny reconstruction and motif discovery. Importantly, this order is different from orders typically used by many tools, suggesting that a simple additional step determining this order can significantly improve results. Further, we describe a novel classification approach based on BIC optimal Markov models to predict functionality of tissue-specific promoters. Our classifier discriminates between promoters active across 12 different tissues with remarkable accuracy, yielding 3 times the precision expected by chance. Application to the metagenomics problem of identifying the taxum from a short DNA fragment yields accuracies at least as high as the more complex mainstream methodologies, while retaining conceptual and computational simplicity.
}, issn = {0305-1048}, doi = {10.1093/nar/gks1285}, author = {Narlikar, Leelavati and Mehta, Nidhi and Galande, Sanjeev and Arjunwadkar, Mihir} } @article { ISI:000326122200015, title = {One-pot fluorescent labeling protocol for complex hydroxylated bioactive natural products}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {20}, year = {2013}, month = {OCT}, pages = {10192-10202}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Tagging of small bioactive molecules with a fluorophore is a highly sensitive method to trace their cellular activities through real-time visual information. Here we disclose a 7-nitrobenzo-2-oxa-1,3-diazole (NBD)-based, high-yielding, one-pot labeling protocol for hydroxylated molecules using Yamaguchi coupling as the key reaction. This methodology was successfully applied on several sensitive and complex hydroxylated bioactive compounds including 7-deacetylazadiradione, simvastatin, camptothecin, andrographolide, cinchonine, beta-dihydroartemisinin, and azadirachtin A. Further, utility of this protocol was illustrated on the cytotoxic activity of azadiradione derivatives against several cancer cell lines through cell imaging of two qualified fluorescent probes.
}, issn = {0022-3263}, doi = {10.1021/jo401559t}, author = {Haldar, Saikat and Kumar, Santosh and Kolet, Swati P. and Patil, Harshal S. and Kumar, Dhiraj and Kundu, Gopal C. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000323020400047, title = {One-pot migration-formylation of benzyl aryl ethers under duff reaction condition}, journal = {Tetrahedron Letters}, volume = {54}, number = {35}, year = {2013}, month = {AUG}, pages = {4789-4792}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A one-pot migration-formylation of benzyl aryl ethers under Duff reaction condition is described. The reaction was performed with HMTA (hexamethylene tetramine) and TFA (trifluoroacetic acid). Under the optimal reaction conditions, a variety of Bn and PMB ethers underwent ortho rearrangement. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Benzyl aryl ethers, Duff reaction, Hexamethylene tetramine, One-pot, ortho Rearrangement}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.06.133}, author = {Chavan, Subhash P. and Lasonkar, Pradeep B.} } @article {42690, title = {One-pot process for the conversion of aroyl chlorides to acyl thioureas}, number = {US 14/650,778}, year = {2013}, month = {JUL}, type = {Application}, chapter = {PCT/IN2013/000758}, abstract = {
The present invention disclose an improved one pot process for synthesis of acyl thioureas of formula (I), with yield greater than 80\%, from aroyl chlorides of formula (I) wherein, R' is an aryl or a heteroarylene group substituted with one or more groups selected from hydrogen, alkyl, alkylene, alkynyl, alkoxy, alkenyloxy, halo, hydroxyl, nitro, amino, carboxyl, ester, halogenated hydrocarbon or an aryl or heteroaryl; R" and R'" are selected independently from hydrogen, alkyl, alkylene, alkynyl, alkoxy, alkenyloxy, halo, hydroxyl, nitro, amino or halogenated hydrocarbon.
}, author = {Ramana, Chepuri V. and Senthilkumar, B.} } @article { ISI:000314381700030, title = {One-pot synthesis of gold nanoparticle/molybdenum cluster/graphene oxide nanocomposite and its photocatalytic activity}, journal = {Applied Catalysis B-Environmental}, volume = {130}, year = {2013}, month = {FEB}, pages = {270-276}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The paper reports on a facile one-pot synthesis of a tri-component gold nanoparticle/molybdenum cluster/graphene oxide (AuNPs@Mo-GO) nanohybrid composite. The synthetic methodology consists on direct UV irradiation of an aqueous solution containing graphene oxide (GO), Na-2[Mo6Br8(N-3)(6)], HAuCl4 center dot 3H(2)O and isopropanol at room temperature in air using a UV fiber lamp. The composite material exhibits very high photocatalytic activity for the degradation of rhodamine B under visible light irradation. The resulting nanohybrid material was characterized using Raman spectroscopy, UV-vis spectrometry, transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). (c) 2012 Elsevier B.V. All rights reserved.
}, keywords = {gold nanoparticles, graphene oxide, Nanohybrid, Photodegradation, Rhodamine B, visible light, [Mo6Br8(N-3)(6)](2-)cluster}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2012.11.017}, author = {Barras, Alexandre and Das, Manash R. and Devarapalli, Rami Reddy and Shelke, Manjusha V. and Cordier, Stephane and Szunerits, Sabine and Boukherroub, Rabah} } @article { ISI:000315540200007, title = {One-step method for the synthesis of aryl olefins from aryl aldehydes and aliphatic aldehydes}, journal = {Tetrahedron Letters}, volume = {54}, number = {12}, year = {2013}, month = {MAR}, pages = {1528-1530}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A conceptually new one-step reaction affording unexpected aryl olefinic product from aromatic aldehyde, aliphatic aldehyde and malononitrile in the presence of acetic acid-ammonium acetate under mild reaction conditions without using any metal catalyst is reported. This novel reaction was used to prepare a number of substituted aryl olefins including new molecules. (c) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Aliphatic aldehyde, Aromatic aldehyde, Aryl olefin, Dicyanoaniline, Malononitrile}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.01.008}, author = {Borate, Hanumant B. and Gaikwad, Supriya H. and Kudale, Ananada S. and Chavan, Subhash P. and Pharande, Shrikant G. and Wagh, Vitthal D. and Sawant, Vikram S.} } @article { ISI:000314368200002, title = {Optically pure gamma-butyrolactones and epoxy esters via two stereocentered HKR of 3-substituted epoxy esters: a formal synthesis of (-)-paroxetine, Ro 67-8867 and (+)-eldanolide}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {8}, year = {2013}, month = {JAN}, pages = {1280-1285}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The HKR of racemic anti- or syn-3-substituted epoxy esters catalyzed by a Co(III)salen complex provides ready access to the corresponding enantioenriched 3,4-disubstituted gamma-butyrolactones and 3-substituted epoxy esters. This strategy has been successfully employed in the formal synthesis of biologically active 3,4-disubstituted piperidine derivatives, (-)-paroxetine and Ro 67-8867 and a natural product, (+)-eldanolide.
}, issn = {1477-0520}, doi = {10.1039/c3ob27321k}, author = {Devalankar, Dattatray A. and Karabal, Pratibha U. and Sudalai, Arumugam} } @article { ISI:000312999200020, title = {Optimization of the production of a maltooligosaccharides producing amylase from the alkalophilic streptomyces lonarensis strain NCL 716 using SVR modeling}, journal = {Starch-Starke}, volume = {65}, number = {1-2}, year = {2013}, month = {JAN}, pages = {179-185}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The Streptomyces lonarensis strain NCL 716 hydrolyses starch to produce a mixture of maltotriose (G3) and maltotetraose (G4) along with maltose (G2). The objective of the present work was to determine an optimum cost effective media composition for the production of a-amylase from this strain. The most influential factor was found to be starch while the least influential factor found was peptone by PlackettBurman method. Peptone amount was kept constant throughout the fermentation. Peptone, which is one of the expensive media components was used at a concentration of 1?g/L, which made the optimum media composition cost effective. A support vector regression-based process model was developed for approximating the non-linear relationship between the fermentation operating variables and the a-amylase yield. Multicanonical Jump Walk Annealing, a stochastic optimization technique is used to obtain optimal operating variables to maximize amylase yield. The maximum amylase activity thus obtained was in good agreement with the experimental values at the optimized levels. The optimum media composition obtained by this method was: yeast extract: 4.53?g/L, starch: 20.246?g/L, K2HPO4: 0.0827\%, MgSO4: 0.15\%, peptone: 1?g/L. A maximum enzyme activity of 297?U/mL, which was achieved using the above approaches compares well with the activity of reported amylases producing maltooligosaccharides.
}, keywords = {Alkaline a-amylase, Optimization, Streptomyces, Support vector regression analysis}, issn = {0038-9056}, doi = {10.1002/star.201200094}, author = {Sharma, Trupti K. and Bhadane, Vaibhav A. and Kumar, Lalitha S. and Rele, Meenakshi V. and Bhawar, Gajanan and Rahman, Imran} } @article { ISI:000315968900025, title = {Organophotocatalysis in nanostructured soft gel materials as tunable reaction vessels: comparison with homogeneous and micellar solutions}, journal = {Journal of Materials Chemistry A}, volume = {1}, number = {14}, year = {2013}, month = {FEB}, pages = {4577-4588}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Riboflavin tetraacetate-catalyzed aerobic photooxidation of 1-(4-methoxyphenyl)ethanol was investigated as a model reaction under blue visible light in different soft gel materials, aiming to establish their potential as reaction vessels for photochemical transformations. Three strategies involving different degrees of organization of the catalyst within the gel network were explored, and the results compared to those obtained in homogeneous and micellar solutions. In general, physical entrapment of both the catalyst and the substrate under optimized concentrations into several hydrogel matrices (including low-molecular-weight and biopolymer-based gels) allowed the photooxidation with conversions between 55 and 100\% within 120 min (TOF similar to 0.045-0.08 min(-1); k(obs) similar to 0.011-0.028 min(-1)), albeit with first-order rates ca. 1-3-fold lower than in solution under comparable non-stirred conditions. Remarkably, the organogel made of a cyclohexane-based bisamide gelator in CH3CN not only prevented the photodegradation of the catalyst but also afforded full conversion in less than 60 min (TOF similar to 0.167 min(-1); k(obs) similar to 0.073 min(-1)) without the need of additional proton transfer mediators (e. g., thiourea) as it occurs in CH3CN solutions. In general, the gelators could be recycled without detriment to their gelation ability and reaction rates. Moreover, kinetics could be fine-tuned according to the characteristics of the gel media. For instance, entangled fibrillar networks with relatively high mechanical strength were usually associated with lower reaction rates, whereas wrinkled laminated morphologies seemed to favor the reaction. In addition, the kinetics results showed in most cases a good correlation with the aeration efficiency of the gel media.
}, issn = {2050-7488}, doi = {10.1039/c3ta01109g}, author = {Bachl, Jurgen and Hohenleutner, Andreas and Dhar, Basab Bijayi and Cativiela, Carlos and Maitra, Uday and Koenig, Burkhard and Diaz, David Diaz} } @article { ISI:000319647600012, title = {Orientation of the beta-hydroxyl group controls the diastereoselectivity during the hydride reduction and grignard reaction of inososes}, journal = {Tetrahedron}, volume = {69}, number = {25}, year = {2013}, month = {JUN}, pages = {5144-5151}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A comparison of the results of the Grignard reaction and the hydride reduction of the carbonyl group of epi- and scyllo-inososes reveals that the extent of diastereoselectivity of these reactions is decided by the orientation of the beta-hydroxyl group (or its derivative). Presence of an axial beta-hydroxyl group generally results in the formation of relatively larger amount of the axial alcohol as a result of the reduction of the carbonyl group. The possible reasons for the observed differences in diastereoselectivity between the reactions of these isomeric epi- and scyllo-inososes have been discussed. The sequence of reactions reported here provides convenient access to C-allcylated inositols, such as iso-laminitol and iso-mytilitol as well as 2-O-methyl epi-inositol, an epimer of the naturally occurring ononitol. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Cyclitol, diastereoselectivity, Grignard, Inositol, Nucleophile, reduction}, issn = {0040-4020}, doi = {10.1016/j.tet.2013.04.081}, author = {Jagdhane, Rajendra C. and Patil, Madhuri T. and Krishnaswamy, Shobhana and Shashidhar, Mysore S.} } @article { ISI:000315168800015, title = {Orthanilic acid-promoted reverse turn formation in peptides}, journal = {Chemical Communications}, volume = {49}, number = {22}, year = {2013}, month = {JAN}, pages = {2222-2224}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Orthanilic acid (2-aminobenzenesulfonic acid, (S)Ant), an aromatic beta-amino acid, has been shown to be highly useful in inducing a folded conformation in peptides. When incorporated into peptide sequences (Xaa-(S)Ant-Yaa), this rigid aromatic beta-amino acid strongly imparts a reverse-turn conformation to the peptide backbone, featuring robust 11-membered-ring hydrogen-bonding.
}, issn = {1359-7345}, doi = {10.1039/c3cc40522b}, author = {Kale, Sangram S. and Priya, Gowri and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000313009000014, title = {Over-expression of a subgroup 4 R2R3 type MYB transcription factor gene from Leucaena leucocephala reduces lignin content in transgenic tobacco}, journal = {Plant Cell Reports}, volume = {32}, number = {1}, year = {2013}, month = {JAN}, pages = {161-171}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
LlMYB1 , a subgroup 4 R2R3-type MYB transcription factor gene from Leucaena leucocephala appears to be a repressor of lignin biosynthesis pathway by regulating the transcription of general phenylpropanoid pathway genes. R2R3MYB transcription factors are known to play a wide role in regulating the phenylpropanoid pathway in plants. In this study, we report isolation, cloning and characterization of an R2R3MYB transcription factor gene (LlMYB1) from an economically important tree species, Leucaena leucocephala. LlMYB1 consists of 705 bp coding sequence corresponding to 235 amino acids. Sequence alignment revealed that the N-terminal (MYB) domain of the gene shares up to 95 \% similarity with subgroup 4 (Sg4) members of R2R3Myb gene family functionally known to be lignin repressors. Highly divergent C-terminal region of the gene carried an ERF-associated amphiphilic repression (EAR) motif, another characteristic of the Sg4. The gene was phylogenetically grouped closest with AmMYB308, a known repressor of monolignol biosynthetic pathway genes. Spatio-temporal expression studies at different ages of seedlings using quantitative real-time PCR (QRT-PCR) showed highest transcript level of the gene in 10 day old stem tissues. Over-expression of the gene in transgenic tobacco showed statistically significant decline in the transcript levels of the general phenylpropanoid pathway genes and reduction in lignin content. Our study suggests that LlMYB1 might be playing the role of a repressor of lignin biosynthesis in L. leucocephala.
}, keywords = {Leucaena leucocephala, lignin, R2R3MYB, Repressor, Transcript level}, issn = {0721-7714}, doi = {10.1007/s00299-012-1350-9}, author = {Omer, Sumita and Kumar, Santosh and Khan, Bashir Mohammad} } @article { ISI:000327052700035, title = {Oxidative dehydrogenation of ethyl benzene to styrene over hydrotalcite derived cerium containing mixed metal oxides}, journal = {Green Chemistry}, volume = {15}, number = {11}, year = {2013}, month = {SEP}, pages = {3259-3267}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Cerium containing mixed oxides derived from hydrotalcites was prepared and its catalytic activity was studied for oxidative dehydrogenation of ethyl benzene to styrene. Structural, spectroscopic and morphological features of the catalyst have been thoroughly examined with various physico-chemical characterization methods. Raman spectroscopy studies show evidence for oxygen vacancies in lower loadings of cerium which enhanced the oxygen migration. The transmission electron microscopy image showed good dispersion of ceria clusters on the mixed metal oxide. The catalytic activity results suggested that the conversion of ethyl benzene and styrene yield is stable for at least 12 hours without any significant catalyst deactivation. The styrene selectivity and ethyl benzene conversion were higher in a catalyst containing 0.03 mole percentage of cerium. Structural features of the spent catalysts have also been examined to demonstrate the stability of the catalyst during the reaction.
}, issn = {1463-9262}, doi = {10.1039/c3gc41321g}, author = {Venugopal, Ashok Kumar and Venugopalan, Aswathy Thareparambil and Kaliyappan, Periyasamy and Raja, Thirumalaiswamy} } @article { ISI:000209465100066, title = {Oxidoreductase from {\textquoteleft}Alphonso{\textquoteright} mango catalyzing biosynthesis of furaneol and reduction of reactive carbonyls}, journal = {SpringerPlus}, volume = {2}, year = {2013}, month = {OCT}, pages = {494}, publisher = {SPRINGER INTERNATIONAL PUBLISHING AG}, type = {Article}, address = {GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND}, abstract = {
Two furanones, furaneol (4-hydroxy-2,5-dimethyl-3(2H)-furanone) and mesifuran (2,5-dimethyl-4-methoxy-3(2H)-furanone), are important constituents of flavor of the Alphonso cultivar of mango (Mangifera indica). To get insights into the biosynthesis of these furanones, we isolated an enone oxidoreductase gene from the Alphonso mango. It has high sequence similarity to an alkenal/one oxidoreductase from cucumber (79\% identity) and enone oxidoreductases from tomato (73\% identity) and strawberry (72\% identity). The complete open reading frame was expressed in E. coli and the (his) 6-tagged recombinant protein was purified by affinity chromatography. The purified protein assayed with NADH as a reducing agent converted D-fructose-1,6-diphosphate into furaneol, the immediate precursor of mesifuran. The enzyme was also able to convert two highly reactive carbonyls, 3-buten-2-one and 1-penten-3-one, produced by lipid peroxidation in plants, into their saturated derivatives. Expression profiling in various ripening stages of Alphonso fruits depicted an expression maxima at 10 days after harvest stage, shortly before the appearance of the maximum amount of furanones (completely ripe stage, 15 days after harvest). Although no furanones were detected at the 0 day after harvest stage, significant expression of this gene was detected in the fruits at this stage. Overall, the results suggest that this oxidoreductase plays important roles in Alphonso mango fruits.
}, keywords = {Detoxification, Enone oxidoreductase, Flavor, Mangifera indica, Ripening}, issn = {2193-1801}, doi = {10.1186/2193-1801-2-494}, author = {Kulkarni, Ram and Chidley, Hemangi G. and Deshpande, Ashish and Schmidt, Axel and Pujari, Keshav and Giri, Ashok P. and Gershenzon, Jonathan and Gupta, Vidya} } @article { ISI:000321434500006, title = {Palladium chloride catalyzed photochemical heck reaction}, journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie}, volume = {91}, number = {5}, year = {2013}, month = {MAY}, pages = {348-351}, publisher = {CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS}, address = {65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA}, abstract = {
PdCl2 catalyzed carbon-carbon bond formation (Heck reaction) between substituted aryl halides and olefins was carried out without a ligand, under irradiation with UV-visible light. The results demonstrated that UV-visible light accelerated the rate of the reaction, leading to an excellent yield of corresponding products. The recovered palladium nanoparticles could be thermally recycled several times. PdCl2 gave excellent conversion up to the fifth addition of substrate.
}, keywords = {C-C coupling, Heck reaction, iodobenzene, photochemical reaction}, issn = {0008-4042}, doi = {10.1139/cjc-2012-0377}, author = {Waghmode, Suresh B. and Arbuj, Sudhir S. and Wani, Bina N. and Gopinath, Chinnakonda S.} } @article { ISI:000313156400005, title = {Palladium-promoted [2+2+2] cocyclization of arynes and unsymmetrical conjugated dienes: synthesis of justicidin B and retrojusticidin B}, journal = {Organic Letters}, volume = {15}, number = {1}, year = {2013}, month = {JAN}, pages = {14-17}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A facile synthesis of natural and unnatural arylnaphthalenes has been demonstrated via the unprecedented palladium-promoted [2 + 2 + 2] cocyclization of arynes and unsymmetrical conjugated dienes using the N-heterocyclic carbene as a ligand. The unsymmetrical dienes used herein are actually alpha-coupled acrylate - cinnamate combinations bearing two beta-positive carbons and follow the key [2 + 2 + 2] cocyclization pathway.
}, issn = {1523-7060}, doi = {10.1021/ol3028658}, author = {Patel, Ramesh M. and N. P. Argade} } @article { ISI:000320929200041, title = {Pd ultra-small clusters as precursors for silica-encapsulated Pd nanoreactors: highly sinter-resistant catalysts}, journal = {Chemcatchem}, volume = {5}, number = {7}, year = {2013}, month = {JUL}, pages = {1911-1916}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Sintering and consequent deactivation in supported metal catalysts is a severe problem encountered in heterogeneous catalysis. This problem can be addressed by encapsulating active metal nanoparticles within inert oxides such as silica, provided the oxide shell is porous to enable access of reactant molecules to the nanoparticle surface to facilitate catalysis. We report the synthesis of highly sinter-resistant silica-encapsulated Pd catalysts with nanoparticle sizes stabilized at (3.4 +/- 0.6)nm at high temperatures of approximately 750 degrees C. The synthesis was achieved by utilizing thiol-protected ultra-small clusters of Pd as precursors for silica encapsulation. The ultra-small clusters were synthesized by using propyl ammonium functionalised thiols making them water-dispersible and amenable for silica encapsulation. Abundance of organics also aided in creating porosity subsequent to calcination at high temperatures.
}, keywords = {cluster compounds, Encapsulation, nanoreactors, Palladium, silicates}, issn = {1867-3880}, doi = {10.1002/cctc.201200908}, author = {Samanta, Anupam and Devi, R. Nandini} } @article { ISI:000313764100016, title = {PEEK/SiO2 composites with high thermal stability for electronic applications}, journal = {Electronic Materials Letters}, volume = {9}, number = {1}, year = {2013}, month = {JAN}, pages = {95-100}, publisher = {KOREAN INST METALS MATERIALS}, address = {POSCO CENTER, 4TH FL (EAST WING), 892 DAECHI-4-DONG, KANGNAM-KU, SEOUL 135-777, SOUTH KOREA}, abstract = {
Thermal and mechanical properties of new high performance polymer matrix composites based on poly(etheretherketone) (PEEK) as matrix and crystalline-silica (SiO2) as reinforcement were discussed for application in electronic packaging substrates or printed circuit boards. The content of SiO2 was varied between 0 and 50 wt. \%. Scanning electron microscopy showed uniform dispersion of SiO2 particles in the matrix. Thermogravimetry analysis showed significant increase in thermal stability and char yield with increase in SiO2 content in the matrix. Differential scanning calorimetry showed that SiO2 had a heterogeneous nucleating effect on PEEK, leading to an increase in peak temperature of crystallization and onset crystallization temperature of the composites compared to a pure matrix. The microhardness increased approximately 42\%. A modified rule of mixtures with a strengthening efficiency factor equal to 0.06 fit the data nicely. The results show that the prepared PEEK/SiO2 composites may have potential applications in electronics.
}, keywords = {hardness, PEEK, polymer matrix composites, Thermal properties}, issn = {1738-8090}, doi = {10.1007/s13391-012-2107-x}, author = {Goyal, R. K. and Rokade, K. A. and Kapadia, A. S. and Selukar, B. S. and Garnaik, Baijayantimala} } @article { ISI:000326355100005, title = {Performance of the EOMIP-CCSD(2) method for determining the structure and properties of doublet radicals: a benchmark investigation}, journal = {Journal of Chemical Theory and Computation}, volume = {9}, number = {10}, year = {2013}, month = {OCT}, pages = {4313-4331}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We present a benchmark study on the performance of the EOMIP-CCSD(2) method for computation of structure and properties of doublet radicals. The EOMIP-CCSD(2) method is a second-order approximation to the standard EOMIP-CCSD method. By retaining the black box nature of the standard EOMIP-CCSD method and adding favorable N-5 scaling, the EOMIP-CCSD(2) method can become the method of choice for predicting the structure and spectroscopic properties of large doublet radicals. The EOMIP-CCSD(2) method overcomes the typical problems associated with the standard single reference ab initio treatment of doublet radicals. We compare our results for geometries and harmonic vibrational frequencies with those obtained using the standard EOMIP-CCSD method, as well as unrestricted Hartree-Fock (UHF)- and restricted open-shell Hartree-Fock (ROHF)-based single-reference coupled-cluster and second order many-body perturbation theory (MBPT(2)) methods. The effect of the basis set on the quality of the results has been studied using a hierarchy of Dunning{\textquoteright}s correlation-consistent aug-cc-pVXZ (X = D, T, Q) basis sets. Numerical results show that the EOMIP-CCSD(2) method, despite its N-5 scaling, gives better agreement with experimental results, compared to the UHF- and ROHF-based MBPT(2), as well as the single-reference coupled-cluster methods.
}, issn = {1549-9618}, doi = {10.1021/ct400316m}, author = {Dutta, Achintya Kumar and Vaval, Nayana and Pal, Sourav} } @article { ISI:000325392000050, title = {Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods}, journal = {Journal of Chemical Physics}, volume = {139}, number = {12}, year = {2013}, month = {SEP}, pages = {124116}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Spin flip equation of motion coupled cluster (EOM-SF-CC) can correctly treat situations involving electronic degeneracies or near degeneracies, e. g., bond breaking, di- and tri-radicals, etc. However, for large systems EOM-SF-CC (even in single and double excitations) is computationally prohibitively expensive. Therefore, earlier approximations to EOM-SF-CC methods such as spin flip configuration interaction singles with perturbative doubles (SF-CIS(D)) have been proposed. In this work, we present a new perturbative approximation to EOM-SF-CC, which has been found to be more accurate than SF-CIS(D). The capabilities, advantages, and timings of the new approach have been demonstrated considering the singlet-triplet gaps in di- and triradicals as well as bond breaking examples. The method is extended to double spin flip EOM-CC and its capabilities have been tested. (C) 2013 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4821936}, author = {Dutta, Achintya Kumar and Pal, Sourav and Ghosh, Debashree} } @article { ISI:000324663100044, title = {Phase, size and shape transformation by fungal biotransformation of bulk TiO2}, journal = {Chemical Engineering Journal}, volume = {230}, year = {2013}, month = {AUG}, pages = {367-371}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Nanosynthesis is an ever expanding frontier in recent years in view of its implications to many future technologies covering diverse fields. Considerable progress has been made realizing high quality synthesis of elemental nanomaterials as well as compounds as chemical, biological and physical routes. The issue of technologically viable large scale synthesis still continues to be a challenge. Here we demonstrate a novel environmentally friendly top down approach to nanosynthesis which exploits the strength and peculiarities of fungus based bioleaching in extracting radicals from compounds and then providing them with a reactive as well as capping environment. Thus protein capped nanoparticles of TiO2 (5-28 nm, circular and brookite phase) are formed directly from micron size (150-250 nm, disc shape, anatase phase) powder by exposing them to a medium of fungus Humicola sp. at just 50 degrees C. The fungus Humicola sp. is not only useful for the synthesis of nanoparticles but also for the transformation of shape, phase and size of TiO2. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Anatase, Biotransformation, Brookite, humicola sp, TiO2}, issn = {1385-8947}, doi = {10.1016/j.cej.2013.06.091}, author = {Khan, Shadab Ali and Ahmad, Absar} } @article { ISI:000318292400036, title = {Photopolymerization of bis-aromatic and alicyclic based solid urethane acrylate macromonomer in the presence of large excess of reactive diluent Kinetics and modeling}, journal = {Journal of Thermal Analysis and Calorimetry}, volume = {112}, number = {2}, year = {2013}, month = {MAY}, pages = {805-813}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A solid urethane acrylate macromonomer with bis-aromatic as well as alicyclic moieties was synthesized and the kinetics of photopolymerization reactions were studied in the presence of varying concentration of photoinitiator and large excess of reactive diluent using photo DSC. The studies show that the rate of maximum polymerization was found to increase with increase in concentration of photoinitiator while a decrease was observed by an increase in temperature. The final conversion showed a decrease at highest isothermal condition due to vitrification. Estimation of kinetic parameters including applicability of autocatalytic and modified autocatalytic models were investigated by nonlinear regression. It was observed that the modified models gave a better fit with the experimental data and kinetic parameters showed a decrease with increase in temperature and an increase with increase in concentration of photoinitiator.
}, keywords = {Autocatalytic model, kinetics, Levenberg-Marquardt method, Photopolymerization}, issn = {1388-6150}, doi = {10.1007/s10973-012-2619-5}, author = {Harikrishna, Reghunathan and Ponrathnam, S. and Rajan, C. R. and Tambe, S. S.} } @article { ISI:000327920600003, title = {Phytase isozymes from aspergillus niger NCIM 563 under solid state fermentation: biochemical characterization and their correlation with submerged phytases}, journal = {Process Biochemistry}, volume = {48}, number = {11}, year = {2013}, month = {NOV}, pages = {1618-1625}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Aspergillus niger NCIM 563 produces dissimilar phytase isozymes under solid state and submerged fermentation conditions. Biochemical characterization and applications of phytase Phy III and Phy IV in SSF and their comparison with submerged fermentation Phy I and Phy III were studied. SSF phytases have a higher metabolic potential as compared to SmF. Phy I is tetramer and Phy II, III and IV are monomers. Phy I and IV have pH optima of 2.5 and Phy II and III have pH optima of 5.0 and 5.6, respectively. Phy I, III and IV exhibited very broad substrate specificity while Phy II was more specific for sodium phytate. SSF phytase is less thermostable as compared to SmF phytase. Phy land II show homology with other known phytases while Phy III and IV show no homology with SmF phytases and any other known phytases from the literature suggesting their unique nature. This is the first report about differences among phytase produced under SSF and SmF by A. niger and this study provides basis for explanation of the stability and catalytic differences observed for these enzymes. Exclusive biochemical characteristics and multilevel application of SSF native phytases determine their efficacy and is exceptional. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {A. niger, Isozymes, Phytase, Solid state fermentation, Submerged fermentation}, issn = {1359-5113}, doi = {10.1016/j.procbio.2013.08.001}, author = {Bhavsar, Kavita P. and Buddhiwant, Priyanka and Soni, Sarvesh K. and Depan, Dilip and Sarkar, Sampa and Khire, Jayant Malhar} } @article { ISI:000320148900002, title = {Phytosynthesis of silver nanoparticles by semecarpus anacardium L. leaf extract}, journal = {Materials Letters}, volume = {102}, year = {2013}, month = {JUL}, pages = {5-7}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Green synthesis of silver nanoparticles (AgNPs) using Semecmpus anacardium L leaf extract was studied. The reduction of silver (Ag+) ions was characterized by using UV-vis spectrophotometer showing formation of AgNPs within 15-20 mm. A time dependent reaction showed the increase in the nanoparticles (NPs) with time. Transmission electron microscopy (TEM) analysis showed that the synthesized AgNPs varied from 10 to 25 nm and has spherical shape. The Fourier transform infrared (FTIR) analysis showed that phenols and protein were responsible for the formation of the AgNPs. The energy dispersive spectroscopy (EDAX) analysis confirms the formed NPs were of silver. The quantification of AgNPs was studied by inductive coupled plasma spectrometry (ICP-AES). The important outcome of this work can be value addition to the medicinal plants in synthesis of NPs for biomedical applications. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {FTIR, Leaf extract, Nanoparticles, Semecarpus anacardium, synthesis, TEM}, issn = {0167-577X}, doi = {10.1016/j.matlet.2013.03.091}, author = {Raju, D. and Hazra, Sulekha and Mehta, Urmil J.} } @article {42623, title = {Plasticity of protease gene expression in helicoverpa armigera upon exposure to multi-domain capsicum annuum protease inhibitor}, journal = {Biochimica et Biophysica Acta (BBA) - General Subjects}, volume = {1830}, year = {2013}, month = {MAR}, pages = {3414{\textendash}3420}, abstract = {
Background A multi-domain Pin-II type protease inhibitor from Capsicum annuum (CanPI-7) is known to be effective against the insect pest, Helicoverpa armigera. The present study is an attempt to investigate the optimal dose of recombinant CanPI-7 (rCanPI-7) for effective antibiosis to H. armigera and further to characterize the responses of digestive proteases upon rCanPI-7 ingestion. Methods The gut protease activity was assessed biochemically and transcript accumulation pattern for selected trypsin and chymotrypsin genes was analyzed by quantitative Real-Time PCR. Results The growth retardation upon exposure to rCanPI-7 was more prominent in neonates as compared to third instar larvae. Influence of stage and dosage of rCanPI-7 was conspicuous on the expression and regulation of candidate trypsin and chymotrypsin genes in H. armigera. The transcript accumulation pattern correlated with the protease activity in rCanPI-7 exposed larvae. Conclusions We conclude that early exposure and specific dose of protease inhibitor are essential for effective antibiosis despite the large diversity and plasticity in the expression of protease genes in H. armigera. Moreover, it is also evident that the regulation and expression of H. armigera gut proteases are specific to the stage of PI exposure. General significance These results highlight the requirement of optimal PI concentration for effective growth retardation and for inhibiting the major gut proteases of H. armigera.
}, doi = {10.1016/j.bbagen.2013.03.017}, author = {Mahajan, Neha S. and Mishra, Manasi and Tamhane, Vaijayanti A. and Gupta, Vidya S. and Giri, Ashok P.} } @article {42702, title = {PNN-Ru pincer complexes based on phosphinated 2,2{\textquoteright}-dipyridinemethane- and 2,2{\textquoteright}-oxobispyridine. metal-ligand cooperation in cyclometallation and catalysis}, journal = {Organometallics}, volume = {32}, year = {2013}, month = {MAY}, pages = {2973{\textendash}2982}, abstract = {
The synthesis of novel PNN ruthenium pincer complexes based on 2,2'-dipyridinemethane phosphine derivatives, as well as on 2,2'-oxobispyridine phosphine ligands, and their reactivity toward dearomatization and cyclometalation are described. The dearomatized compounds 7a,b undergo cyclometalation to yield complexes 8a,b. In order for cyclometalation to proceed, the coordination sphere around the Ru center has to rearrange, and this depends on the flexibility of the system, showing that the cyclometalation is qualitatively faster in the case of the dimethyl derivative 7a than in the case of the spyrocyclopentyl derivative 7b. The cyclometalation occurs diastereoselectively and leads to only one diastereomer of the cyclometalated compounds. In the case of the 2,2'-oxobispyridine complex 6c, the dearomatized complex was too unstable to be isolated; however it was possible to isolate and characterize a stable dicarbonyl-dearomatized ruthenium(II) complex, 9c, when the deprotonation was performed under a CO atmosphere. Dearomatization of 6a under CO also led to dicarbonyl-dearomatized ruthenium(II) complex 9a, which slowly rearranged into the dicarbonyl-aromatized ruthenium(0) complex 10a. These complexes were tested in catalytic alcohol{\textendash}amine coupling, esterification of primary alcohols, and hydrogenation of secondary amides. Moderate activity was observed in hydrogenation of amides to alcohols and amines and low activity in the other transformations, owing mainly to the formation of stable cyclometalated compounds.
}, doi = {10.1021/om400194w}, author = {Barrios-Francisco, Rigoberto and Balaraman, Ekambaram and Diskin-Posner, Yael and Leitus, Gregory and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000313012200051, title = {Polarizability of few electron quantum dots: extended coupled-cluster response approach}, journal = {Chemical Physics Letters}, volume = {555}, year = {2013}, month = {JAN}, pages = {263-267}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The dipole polarizability is studied for few electron quantum dots using extended coupled cluster linear response method (ECCLR). The polarizability of pure parabolic quantum dots depends only on the number of electrons and the parabolic confinement strength. We added impurity in a GAUSSIAN form to the external parabolic potential and used ECCLR to calculate polarizability. To examine the effect of external potential, we changed the parabolic confinement to square-well and repeated all calculations. We mainly looked at eigenvalue spectrum and charge density specially when the system shifts towards lower density regions. (C) 2012 Elsevier B. V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2012.10.071}, author = {Heidari, Ideh and Vaval, Nayana and Pal, Sourav and Kanhere, Dilip G.} } @article { ISI:000315360400007, title = {Poly-L-arginine grafted silica mesoporous nanoparticles for enhanced cellular uptake and their application in DNA delivery and controlled drug release}, journal = {Particle \& Particle Systems Characterization}, volume = {30}, number = {2}, year = {2013}, month = {FEB}, pages = {166-179}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Mesoporous silica nanoparticles (MSNs), that are capable of delivering gene and drugs to organisms in an effective and selective way have attracted much attention lately for its potential in the treatment of cancer. However, the successful application of MSNs for delivery of plasmid DNA or drugs requires surface modification of the silica with positively charged functional groups so that it binds to the negatively charged nucleic acids and also helps it penetrate through the cell membrane. We report for the first time the synthesis of a hybrid MSN where the cell penetrating cationic polypeptide poly-L-arginine synthesized by NCA polymerization is grafted onto the external surface of MSN using click chemistry. These poly-L-arginine grafted MSNs show low cytotoxity (85\% cell viability at 100 g/mL MSN concentration) and high cellular uptake by both HeLa and A549 (\>90\%). The poly-L-arginine grafted MSNs were used effectively to deliver mCherry DNA plasmid into cells leading to expression of the protein mCherry inside the cells (transfection efficiency 60\%). In contrast, poly-L-arginine grafted non-porous silica nanoparticles were unable to express the protein mCherry inside the cells although their uptake into the cells was as efficient as with poly-L-arginine grafted MSNs. We also show preliminary results to demonstrate that these hybrid MSNs can be used as a delivery vehicle for the anticancer drug Doxorubicin towards cancerous cells HeLa and A549. The biocompatibility of poly-L-arginine and its cell penetrating ability are expected to make these MSN conjugates very useful carriers for the delivery of genes and drugs into cancer cells.
}, issn = {0934-0866}, doi = {10.1002/ppsc.201200089}, author = {Kar, Mrityunjoy and Tiwari, Neha and Tiwari, Mitali and Lahiri, Mayurika and Sen Gupta, Sayam} } @article { ISI:000326481200003, title = {Polymer solar cells}, journal = {Journal of Materials Education}, volume = {35}, number = {3-4}, year = {2013}, month = {SEP}, pages = {79-119}, publisher = {INT COUNCIL MATERIALS EDUCATION}, address = {UNIV N TEXAS, 1155 UNION CIRCLE \#30510, DENTON, TX 76203-5017 USA}, abstract = {
It is a well known fact that the amount of solar energy impinging on the earth{\textquoteright}s surface in one hour is higher than the worldwide energy demand per year. Solar energy is the ultimate renewable zero emission energy source. Solar energy technology which is dominated by the crystalline silicon has not found widespread acceptance due to size, weight, aesthetics, cost and installation of solar panels. On the other hand, polymer solar cells being light weight, inexpensive, colorful and capable to be fabricated into large area flexible devices by roll to roll processes, portend potential for large scale non-grid and grid power generation applications. Polymer solar cells would reduce the need for petroleum and natural gas for power generation; therefore, the use of cells would slow down the disappearance of non-renewable resources and promote sustainability. In spite of these facts, polymer solar cells are not covered in current curricula and textbooks of Materials Science and Engineering. The present article intends to provide the remedy to this situation and exhaustively discusses materials, mechanisms and applications in the development of highly efficient polymer solar cells (PSCs).
}, keywords = {Bulk heterojunction polymer solar cells, Electron acceptors, Electron donors, Inverted and Tandem solar cells, Roll to roll processing, Solar cell efficiency}, issn = {0738-7989}, author = {Singh, Ram Prakash and Kushwaha, Omkar Singh} } @article { ISI:000335399700017, title = {Polymer solar cells: an overview}, journal = {Macromolecular Symposia}, volume = {327}, number = {1}, year = {2013}, note = {Kathmandu Symposia on Advanced Materials (KaSAM), Nepal Polymer Inst, Kathmandu, NEPAL, MAY 09-12, 2012}, month = {MAY}, pages = {128-149}, publisher = {Tribhuvan Univ; Kathmandu Univ; Univ Rouen; Int Union Pure \& Appl Chem}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Polymer Solar cells being flexible, light weight, inexpensive, colorful and large area devices, portend potential for large scale grid power generation. The first major breakthrough in organic solar cell performance came in 1986 when Tang discovered that much higher efficiencies about 1\% can be attained when electron donor (D) and electron acceptor (A) are brought together in one cell. With the discovery of photo induced electron transfer from a conjugated polymer to fullerene molecules in 1992, the bulk heterojunction (BHJ) polymer solar cell has become the most successful device structure developed in the field till date. Poly(3-hexyl thiophene) (P3HT) has been the subject of intensive investigations upto 2008 yielding power conversion efficiencies (PCEs) around 5-6\%. OPV technology has grown during the past decade with cell efficiencies quadrupling. As alternative route of higher performance, two or more single cells can be combined in tandem structure. The most efficient tandem organic solar cell reported by Yang Yang{\textquoteright}s group has 8.62\% power conversion efficiency (PCE) which has been further improved with an NREL - certified PCE of 10.6\%. An overview of the above will be presented in this paper.
}, keywords = {bulk heterojunction, electron acceptor, electron donor, fullerenes, polymer solar cells}, issn = {1022-1360}, doi = {10.1002/masy.201350516}, author = {Singh, Ram Prakash and Kushwaha, Omkar Singh} } @article { ISI:000315370000010, title = {Polyproline fold-In imparting kinetic stability to an alkaline serine endopeptidase}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1834}, number = {3}, year = {2013}, month = {MAR}, pages = {708-716}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Polyproline II (PPII) fold, an unusual structural element was detected in the serine protease from Nocardiopsis sp. NCIM 5124 (NprotI) based on far UV circular dichroism spectrum, structural transitions of the enzyme in presence of GdnHCl and a distinct isodichroic point in chemical and thermal denaturation. The functional activity and conformational transitions of the enzyme were studied under various denaturing conditions. Enzymatic activity of NprotI was stable in the vicinity of GdnHCl upto 6.0 M concentration, organic solvents viz, methanol, ethanol, propanol (all 90\% v/v), acetonitrile (75\% v/v) and proteases such as trypsin, chymottypsin and proteinase K (NprotI:protease 10:1). NprotI seems to be a kinetically stable protease with a high energy barrier between folded and unfolded states. Also, an enhancement in the activity of the enzyme was observed in 1 M GdnHCl upto 8 h, in organic solvents (75\% v/v) for 72 h and in presence of proteolytic enzymes. The polyproline fold remained unaltered or became more prominent under the above mentioned conditions. However, it diminished gradually during thermal denaturation above 60 degrees C. Thermal transition studies by differential scanning calorimetry (DSC) showed scan rate dependence as well as irreversibility of denaturation, the properties characteristic of kinetically stable proteins. This is the first report of PPII helix being the global conformation of a non structural protein, an alkaline serine protease, from a microbial source, imparting kinetic stability to the protein. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Conformation, differential scanning calorimetry, Kinetic stability, Nocardiopsis sp., Polyproline fold, Serine protease}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2012.12.007}, author = {Rohamare, Sonali B. and Dixit, Vaishali and Nareddy, Pavan Kumar and Sivaramakrishna, D. and Swamy, Musti J. and Gaikwad, Sushama M.} } @article { ISI:000316624600020, title = {POM-catalyzed in situ ligand synthesis for the construction of metal complexes and their use in the formation of coordination polymers}, journal = {Chemphyschem}, volume = {14}, number = {5}, year = {2013}, month = {APR}, pages = {1009-1015}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Six organicinorganic hybrid materials were synthesized by the in situ oxidation of neocuproine by using MoO3/Na2MoO4 as the catalyst in the presence of Cu(NO3)2. The crystal structures of Mo8-Cu4-PHEN and Mo8-Cu2-5(2PIC) are composed of [Mo8O26]4 polyoxometalate (POM) units, whereas the crystal structure of Mo6-Cu-COPHEN is composed of a [Mo6O19]2 POM unit; both POM units could be considered as the active form of the catalyst. Reaction of the hybrid materials with 1,3,5-benzenetricarboxylic acid (BTC) resulted in the formation of two different coordination polymers (CPs) under different reaction conditions. These CPs, depending on their structural attributes, exhibit distinct differences in the adsorption of H2, CO2, and water. The use of 2-methylpyridine instead of neocuproine does not give any oxidation products under the same reaction conditions due to the incorrect positioning of the methyl group with respect to the CuII center.
}, keywords = {coordination polymers, Copper, N ligands, organicinorganic hybrid composites, polyoxometalates}, issn = {1439-4235}, doi = {10.1002/cphc.201201019}, author = {Dey, Chandan and Banerjee, Rahul} } @article { ISI:000326300200011, title = {Porous carbons from nonporous MOFs: influence of ligand characteristics on intrinsic properties of end carbon}, journal = {Crystal Growth \& Design}, volume = {13}, number = {10}, year = {2013}, month = {OCT}, pages = {4195-4199}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Synthesis of porous carbons on direct carbonization of nonporous Zn-based MOFs has been achieved without using any additional carbon precursor. The effect of ligand nature on the resulting carbon porosity has been studied systematically using the MOFs synthesized from rigid and flexible ligands. The linear relations between Zn/C ratio of the MOF versus surface area of the resulting carbon, micro-porosity versus H-2 uptake achieved in these carbons, and surface area versus specific capacitance of the end carbons have been verified from the gas adsorption, molecular composition, and electrochemical studies, respectively. Cyclic voltammetry and charge-discharge cycling have been carried out to study the capacitive behavior of the carbons. The interdependence of capacitive behavior on the surface area has been analyzed using data derived from N-2 adsorption isotherms and charge-discharge curves. Among the carbons synthesized, C-MOF-2 shows maximal surface area of 1378 m(2)/g with a specific capacitance of 170 F/g at 1 A/g.
}, issn = {1528-7483}, doi = {10.1021/cg401122u}, author = {Aiyappa, Harshitha Barike and Pachfule, Pradip and Banerjee, Rahul and Kurungot, Sreekumar} } @article { ISI:000324098200003, title = {Porous Co3O4 nanorods as superior electrode material for supercapacitors and rechargeable Li-ion batteries}, journal = {Journal of Applied Electrochemistry}, volume = {43}, number = {10}, year = {2013}, month = {OCT}, pages = {995-1003}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Porous aggregated nanorods of Co3O4 with a surface area of similar to 100 m(2) g(-1) synthesized without using any templates or surfactants give very high specific capacitance of similar to 780 F g(-1) when used as electrode in a faradaic supercapacitor, with a cycle life of more than 1,000 cycles. Further, in Li-ion batteries when used as an anode, the Co3O4 nanorods achieved a capacity of 1155 mA h g(-1) in the first cycle and upon further cycling it is stabilized at 820 mA h g(-1) for more than 25 cycles. Detailed characterization indicated the stability of the material and the improved performance is attributed to the shorter Li-insertion/desertion pathways offered by the highly porous nanostructures. The environmentally benign and easily scalable method of synthesis of the porous Co3O4 nanorods coupled with the superior electrode characteristics in supercapacitors and Li-ion batteries provide efficient energy storage capabilities with promising applications.
}, keywords = {Cobalt oxide, Electrode materials, Li-ion battery, Porous nanostructures, supercapacitor}, issn = {0021-891X}, doi = {10.1007/s10800-013-0593-7}, author = {Vijayanand, S. and Kannan, Ramaiyan and Potdar, H. S. and Pillai, V. K. and Joy, Pattayil Alias} } @article { ISI:000313263300022, title = {Porous-organic-framework-templated nitrogen-rich porous carbon as a more proficient electrocatalyst than Pt/C for the electrochemical reduction of oxygen}, journal = {Chemistry-A European Journal}, volume = {19}, number = {3}, year = {2013}, month = {JAN}, pages = {974-980}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Porous nitrogen-rich carbon (POF-C-1000) that was synthesized by using a porous organic framework (POF) as a self-sacrificing host template in a nanocasting process possessed a high degree of graphitization in an ordered structural arrangement with large domains and well-ordered arrays of carbon sheets. POF-C-1000 exhibits favorable electrocatalytic activity for the oxygen-reduction reaction (ORR) with a clear positive shift of about 40 mV in the onset potential compared to that of a traditional, commercially available Pt/C catalyst. In addition, irrespective of its moderate surface area (785 m2?g-1), POF-C-1000 showed a reasonable H2 adsorption of 1.6 wt?\% (77 K) and a CO2 uptake of 3.5 mmol?g-1 (273 K).
}, keywords = {Adsorption, Electrochemistry, fuel cells, oxygen-reduction reaction, porous organic frameworks}, issn = {0947-6539}, doi = {10.1002/chem.201202940}, author = {Pachfule, Pradip and Dhavale, Vishal M. and Kandambeth, Sharath and Kurungot, Sreekumar and Banerjee, Rahul} } @article { ISI:000316432700037, title = {Pre-combustion capture of carbon dioxide in a fixed bed reactor using the clathrate hydrate process}, journal = {Energy}, volume = {50}, year = {2013}, month = {FEB}, pages = {364-373}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Hydrate based gas separation (HBGS) process with silica sand and silica gel as contact medium was employed to capture CO2 from fuel gas mixture. Gas uptake measurement at three different pressures (7.5, 8.5 and 9.0 MPa) and 274.15 K were conducted for hydrate formation kinetics and overall conversion of water to hydrate, rate of hydrate formation were determined. Water conversion of up to 36\% was achieved with silica sand bed compared to 13\% conversion in the silica gel bed. Effect of driving force on the rate of hydrate formation and gas consumption was significant in silica sand bed whereas it was found to be insignificant in silica gel bed. Hydrate dissociation experiments by thermal stimulation (at constant pressure) alone and a combination of depressurization and thermal stimulation were carried out for complete recovery of the hydrated gas. A driving force of 23 K was found to be sufficient to recover all the hydrated gas within 1 h. This study indicates that silica sand can be an effective porous media for separation of CO2 from fuel gas when compared to silica gel. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon dioxide capture, Clathrate hydrates, Gas separation, Global warming, Pre-combustion}, issn = {0360-5442}, doi = {10.1016/j.energy.2012.10.046}, author = {Babu, Ponnivalavan and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000323842900082, title = {Preparation-method-dependent morphological, band structural, microstructural, and photocatalytic properties of noble metal-GaNbO4 nanocomposites}, journal = {RSC Advances}, volume = {3}, number = {37}, year = {2013}, month = {JUL}, pages = {16817-16828}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report the distinct physicochemical and photophysical properties of gallium niobate photocatalysts (bandgap: similar to 3.1 eV), prepared by a solid-state (SS) reaction and sol-gel (SG) method and dispersed with a noble metal (similar to 0.5\% of Pt, Au, or RuOx) cocatalyst. SG-GaNbO4 comprised smaller size particles (similar to 20-50 nm) and a larger surface area (similar to 160 m(2) g(-1)) compared to SS-GaNbO4 (particle size similar to 30-150 nm, surface area similar to 27 m(2) g(-1)). XRD patterns revealed a preparation-dependent variation in the relative intensity of prominent reflections. In TEM examination, SG samples exhibited small-range grain boundaries and heterogeneous metal/substrate interfacial contacts, while SS-GaNbO4 had long-range ordering. Laser-Raman and thermoluminescence investigations revealed that lattice distortion, defect-induced inter-bandgap charge trapping states, and the local environment around the metal/semiconductor interfaces may also depend on the preparation method. Metal-GaNbO4 nanocomposites showed no activity for the dissociation of pure water under UV (\>250 nm) irradiation, despite the favourable conduction and valence band potentials. This was attributed to the sharp Ga and Nb d-levels in the narrow conduction band of GaNbO4, as confirmed by ab initio electronic structure calculation. These photocatalysts, however, showed good activity for semiconductor-mediated photo-dissociation of aqueous methanol to produce H-2; a cocatalyst-dependent activity trend, Pt \> RuOx \> Au, was observed. Doping of S at similar to 5\% of the oxygen sites led to decreased photoactivity, ascribed to the presence of localized S 3p states just above the O 2p valence level. In conclusion, besides band characteristics, certain morphological and microstructural properties play a crucial role in the photoactivity of the metal/oxide nanocomposites.
}, issn = {2046-2069}, doi = {10.1039/c3ra43477j}, author = {Devi, Suman and Kelkar, Sarika A. and Kashid, Vikas and Salunke, Hemant G. and Gupta, Narendra M.} } @article { ISI:000315751600033, title = {Probing interaction of Gram-positive and Gram-negative bacterial cells with ZnO nanorods}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {33}, number = {3}, year = {2013}, month = {APR}, pages = {1247-1253}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In the present work, the physiological effects of the ZnO nanorods on the Gram positive (Staphylococcus aureus and Bacillus subtilis) and Gram-negative (Escherichia coli and Aerobacter aerogenes) bacterial cells have been studied. The analysis of bacterial growth curves for various concentrations of ZnO nanorods indicates that Gram positive and Gram negative bacterial cells show inhibition at concentrations of similar to 64 and similar to 256 mu g/mL respectively. The marked difference in susceptibility towards nanorods was also validated by spread plate and disk diffusion methods. In addition, the scanning electron micrographs show a clear damage to the cells via changed morphology of the cells from rod to coccoid etc. The confocal optical microscopy images of these cells also demonstrate the reduction in live cell count in the presence of ZnO nanorods. These, results clearly indicate that the antibacterial activity of ZnO nanorods is higher towards Gram positive bacterium than Gram negative bacterium which indicates that the structure of the cell wall might play a major role in the interaction with nanostructured materials and shows high sensitivity to the particle concentration. (C) 2012 Elsevier B.V. All rights reserved.
}, keywords = {Confocal, Growth curve, Nanorods, SEM, Zeta potential, ZnO}, issn = {0928-4931}, doi = {10.1016/j.msec.2012.12.019}, author = {Jain, Aanchal and Bhargava, Richa and Poddar, Pankaj} } @article { ISI:000315707900026, title = {Probing the acidity of carboxylic acids in protic ionic liquids, water, and their binary mixtures: activation energy of proton transfer}, journal = {Journal of Physical Chemistry B}, volume = {117}, number = {8}, year = {2013}, month = {FEB}, pages = {2456-2465}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Acidity functions were used to express the ability of a solvent/solution to donate/accept a proton to a solute. The present work accounts for the acidity determination of HCOOH, CH3COOH, and CH3CH2COOH in the alkylimidazolium-based protic ionic liquids (PILs), incorporated with carboxylate anion, water, and in a binary mixture of PIL and water using the Hammett acidity function, H-0. A reversal in the acidity trend was observed, when organic acids were transferred from water to PIL. It was emphasized that an increased stabilization offered by PIL cation toward the more basic conjugate anion of organic acid was responsible for this anomalous change in acidity order in PILs, which was absent in water. The greater stabilization of a basic organic anion by PIL cation is discussed in terms of the stable hard-soft acid base (HSAB) pairing. A change in the H-0 values of these acids was observed with a change in temperature, and a linear correlation between the ln H-0 and 1/T was noted. This relationship points toward the activation energy of proton transfer (E-a,E-H+), a barrier provided by the medium during the proton transfer from Bronsted acid to indicator. The H-0 function in binary mixtures points to the involvement of pseudosolvent, the behavior of which changes with the nature and concentration of acid. The presence of the maxima/minima in the H-0 function is discussed in terms of the synergetic behavior of the pseudosolvent composed of the mixtures of aqueous PILs.
}, issn = {1520-6106}, doi = {10.1021/jp310927w}, author = {Shukla, Shashi Kant and Kumar, Anil} } @article { ISI:000324842900004, title = {Probing the active site of cinnamoyl CoA reductase 1 (Ll-CCRH1) from Leucaena leucocephala}, journal = {International Journal of Biological Macromolecules}, volume = {60}, year = {2013}, month = {SEP}, pages = {33-38}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Lack of three dimensional crystal structure of cinnamoyl CoA reductase (CCR) limits its detailed active site characterization studies. Putative active site residues involved in the substrate/NADPH binding and catalysis for Leucaena leucocephala CCR (Ll-CCRH1; GenBank: DQ986907) were identified by amino acid sequence alignment and homology modeling. Putative active site residues and proximal H215 were subjected for site directed mutagenesis, and mutated enzymes were expressed, purified and assayed to confirm their functional roles. Mutagenesis of S136, Y170 and K174 showed complete loss of activity, indicating their pivotal roles in catalysis. Mutant S212G exhibited the catalytic efficiencies less than 10\% of wild type, showing its indirect involvement in substrate binding or catalysis. R51G, D77G, F30V and I31N double mutants showed significant changes in K-m values, specifying their roles in substrate binding. Finally, chemical modification and substrate protection studies corroborated the presence Ser, Tyr, Lys, Arg and carboxylate group at the active site of Ll-CCRH1. (c) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Chemical modification, Cinnamoyl CoA reductase 1, Docking simulations, homology modeling, Site directed mutagenesis, Substrate protection}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.05.005}, author = {Sonawane, Prashant and Patel, Krunal and Vishwakarma, Rishi Kishore and Srivastava, Sameer and Singh, Somesh and Gaikwad, Sushama M. and Khan, Bashir Mohammad} } @article { ISI:000325642800010, title = {Production, purification and characterization of cholesterol oxidase from a newly isolated streptomyces sp.}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {29}, number = {11}, year = {2013}, month = {NOV}, pages = {2077-2085}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Cholesterol oxidase production (COD) by a new isolate characterized as Streptomyces sp. was studied in different production media and fermentation conditions. Individual supplementation of 1 \% maltose, lactose, sucrose, peptone, soybean meal and yeast extract enhanced COD production by 80-110 \% in comparison to the basal production medium (2.4 U/ml). Supplementation of 0.05 \% cholesterol (inducer) enhanced COD production by 150 \%. COD was purified 14.3-fold and its molecular weight was found to be 62 kDa. V-max (21.93 mu M/min mg) and substrate affinity K-m (101.3 mu M) suggested high affinity of the COD for cholesterol. In presence of Ba2+ and Hg2+ the enzyme activity was inhibited while Cu2+ enhanced the activity nearly threefold. Relative activity of the enzyme was found maximum in triton X-100 whereas sodium dodecyl sulfate inactivated the enzyme. The enzyme activity was also inhibited by the thiol-reducing reagents like Dithiothreitol and beta-mercaptoethanol. The COD showed moderate stability towards all organic solvents except acetone, benzene and chloroform. The activity increased in presence of isopropanol and ethanol. The enzyme was most active at pH 7 and 37 A degrees C temperature. This organism is not reported to produce COD.
}, keywords = {Affinity chromatography, Cholesterol oxidase, HPLC, SDS PAGE, Streptomyces sp.}, issn = {0959-3993}, doi = {10.1007/s11274-013-1371-8}, author = {Niwas, Ram and Singh, Vineeta and Singh, Rajbir and Tripathi, Divya and Tripathi, C. K. M.} } @article { ISI:000315478700010, title = {Proline catalyzed alpha-aminoxylation reaction in the synthesis of biologically active compounds}, journal = {Accounts of Chemical Research}, volume = {46}, number = {2}, year = {2013}, month = {FEB}, pages = {289-299}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The search for new and efficient ways to synthesize optically pure compounds is an active area of research in organic synthesis. Asymmetric catalysis provides a practical, cost-effective, and efficient method to create a variety of complex natural products containing multiple stereocenters. In recent years, chemists have become more interested in using small organic molecules to catalyze organic reactions. As a result, organocatalysis has emerged both as a promising strategy and as an alternative to catalysis with expensive proteins or toxic metals. One of the most successful and widely studied secondary amine-based organocatalysts is proline. This small molecule can catalyze numerous reactions such as the aldol, Mannich, Michael addition, Robinson annulation, Diels-Alder, alpha-functionalization, alpha-amination, and alpha-aminoxylation reactions. Catalytic and enantioselective alpha-oxygenation of carbonyl compounds is an important reaction to access a variety of useful building blocks for bioactive molecules. Proline catalyzed alpha-aminoxylation using nitrosobenzene as oxygen source, followed by in situ reduction, gives enantiomerically pure 1,2-diol. This molecule can then undergo a variety of organic reactions. In addition, proline organocatalysis provides access to an assortment of biologically active natural products including mevinoline (a cholesterol lowering drug), tetrahydrolipstatin (an antiobesity drug), R(+)-alpha-lipoic acid, and bovidic acid. In this Account, we present an iterative organocatalytic approach to synthesize both syn- and anti-1,3-polyols, both enantio- and stereoselectively. This method is primarily based on proline-catalyzed sequential alpha-aminoxylation and Horner-Wadsworth-Emmons (HWE) olefination of aldehyde to give a gamma-hydroxy ester. In addition, we briefly illustrate the broad application of our recently developed strategy for 1,3-polyols, which serve as valuable, enantiopure building blocks for polyketides and other structurally diverse and complex natural products. Other research groups have also applied similar strategies to prepare such bioactive molecules as littoralisone, brasoside and (+)-cytotrienin A. Among the various synthetic approaches reported for 1,3-polyols, our organocatalytic iterative approach appears to be very promising and robust. This method combines the merit of organocatalytic reaction with an easy access to both enantiomerically pure forms of proline, mild reaction conditions, and tolerance to both air and moisture. In this Account, we present the latest applications of organocatalysis and how organic chemists can use this new tool for the total synthesis of complex natural products
}, issn = {0001-4842}, doi = {10.1021/ar300135u}, author = {Kumar, Pradeep and Dwivedi, Namrata} } @article { ISI:000318917000003, title = {Proline catalyzed sequential alpha-aminooxylation or -amination/reductive cyclization of o-nitrohydrocinnamaldehydes: a high yield synthesis of chiral 3-substituted tetrahydroquinolines}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {22}, year = {2013}, month = {APR}, pages = {3608-3611}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new sequential organocatalytic method for the synthesis of chiral 3-substituted (X = OH, NH2) tetrahydroquinoline derivatives (THQs) [ee up to 99\%, yield up to 87\%] based on alpha-aminooxylation or -amination followed by reductive cyclization of o-nitrohydrocinnamaldehydes has been described. This methodology has been efficiently demonstrated in the synthesis of two important bioactive molecules namely (-)-sumanirole (96\% ee) and 1-[(S)-3-(dimethylamino)-3,4-dihydro-6,7-dimethoxy-quinolin-1(2H)-yl]- propanone (92\% ee).
}, issn = {1477-0520}, doi = {10.1039/c3ob40320c}, author = {Rawat, Varun and Kumar, B. Senthil and Sudalai, Arumugam} } @article { ISI:000328231600014, title = {Proline-catalyzed asymmetric synthesis of syn- and anti-1,3-diamines}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {23}, year = {2013}, month = {DEC}, pages = {11756-11764}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A general organocatalytic strategy for asymmetric synthesis of both syn/anti-1,3-diamines has been developed. The strategy employs proline-catalyzed sequential alpha-amination and Horner-Wadsworth-Emmons (HWE) olefination of aldehydes as the key step where syn-1,3-diamine was obtained as the most favorable product.
}, issn = {0022-3263}, doi = {10.1021/jo401722e}, author = {Kumar, Pradeep and Jha, Vishwajeet and Gonnade, Rajesh G.} } @article { ISI:000318213800029, title = {Promising stability of gold-based catalysts prepared by direct anionic exchange for DeNO (x) applications in lean burn conditions}, journal = {Topics in Catalysis}, volume = {56}, number = {1-8}, year = {2013}, note = {9th International Congress on Catalysis and Automotive Pollution Control (CAPoC), Brussels, BELGIUM, AUG 29-31, 2012}, month = {MAY}, pages = {157-164}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Supported gold catalysts on gamma-Al2O3 have been investigated in the catalytic reduction of NO (x) in simulated Diesel exhaust gas conditions. Different parameters have been examined essentially the mode of gold incorporation via classical deposition-precipitation and anionic exchange methods and the nature of the pre-activation thermal treatment. The resistance to thermal ageing under reactive conditions at 500 A degrees C was found completely different with a significant rate enhancement on anionic-exchange samples. Further comparisons also show that the nature of the pre-activation thermal treatment influences the extent of surface reconstructions during thermal ageing with a detrimental effect of reductive pre-treatment on the catalytic performances.
}, keywords = {Anionic-exchange, Au/Al2O3 catalyst, Deposition-precipitation, NOx abatement, Selective catalytic reduction}, issn = {1022-5528}, doi = {10.1007/s11244-013-9946-z}, author = {Nguyen, D. -L. and Shubhangi B. Umbarkar and Dongare, Mohan K. and Lancelot, Christine and Girardon, J. S. and Dujardin, Christophe and Granger, P.} } @article { ISI:000324405700012, title = {Proposing late transition metal complexes as frustrated Lewis pairs - a computational investigation}, journal = {Dalton Transactions}, volume = {42}, number = {38}, year = {2013}, month = {JUL}, pages = {13866-13873}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
There has been considerable interest in recent times to develop transition metal complex systems that can demonstrate metal-ligand cooperativity. It has recently been shown (Wass et al., J. Am. Chem. Soc., 2011, 133, 18463) that early transition metals can cooperate with ligands carrying phosphines as pendant groups, working as metal analogues to frustrated Lewis pairs (FLPs) to mediate in a variety of important reactions. What the current work attempts to do is to show how this concept of metal containing FLPs can be expanded to include late transition metal complexes as well: complexes that have been modified from existing systems that serve as efficient catalysts for homogeneous polymerization. A modified palladium complex has been considered in this regard as an example of a potential late transition metal FLP and studied with full quantum mechanical calculations. The calculations indicate that this complex would be effective at catalyzing ammonia borane dehydrogenation. The possibility of competing side reactions such as reductive elimination have also been considered, and it has been found that such processes would also yield stable products which could act as an FLP in catalyzing reactions such as the dehydrogenation of ammonia borane. The current work therefore expands the scope of metal containing FLPs to include late transition metals and demonstrates computationally the potential of such complexes for exhibiting metal-ligand cooperativity.
}, issn = {1477-9226}, doi = {10.1039/c3dt51677f}, author = {Pal, Amrita and Vanka, Kumar} } @article { ISI:000325608800002, title = {Proteome wide reduction in AGE modification in streptozotocin induced diabetic mice by hydralazine mediated transglycation}, journal = {Scientific Reports}, volume = {3}, year = {2013}, month = {OCT}, pages = {2941}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
The non-enzymatic reaction between glucose and protein can be chemically reversed by transglycation. Here we report the transglycation activity of hydralazine using a newly developed MALDI-TOF-MS based assay. Hydralazine mediated transglycation of HbA1c, plasma proteins and kidney proteins was demonstrated in streptozotocin (STZ) induced diabetic mice, as evidenced by decrease in protein glycation, as well as presence of hydralazine-glucose conjugate in urine of diabetic mice treated with hydralazine. Hydralazine down regulated the expression of Receptor for Advanced Glycation End products (RAGE), NADPH oxidase (NOX), and super oxide dismutase (SOD). These findings will provide a new dimension for developing intervention strategies for the treatment of glycation associated diseases such as diabetes complications, atherosclerosis, and aging.
}, issn = {2045-2322}, doi = {10.1038/srep02941}, author = {Kesavan, Suresh K. and Bhat, Shweta and Golegaonkar, Sandeep B. and Jagadeeshaprasad, Mashanipalya G. and Deshmukh, Arati B. and Patil, Harshal S. and Bhosale, Santosh D. and Shaikh, Mahemud L. and Thulasiram, Hirekodathakallu V. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000313557600018, title = {Proteomic analysis of protease resistant proteins in the diabetic rat kidney}, journal = {Molecular \& Cellular Proteomics}, volume = {12}, number = {1}, year = {2013}, month = {JAN}, pages = {228-236}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {
Glycation induced protein aggregation has been implicated in the development of diabetic complications and neurodegenerative diseases. These aggregates are known to be resistant to proteolytic digestion. Here we report the identification of protease resistant proteins from the streptozotocin induced diabetic rat kidney, which included enzymes in glucose metabolism and stress response proteins. These protease resistant proteins were characterized to be advanced glycation end products modified and ubiquitinated by immunological and mass spectrometry analysis. Further, diabetic rat kidney exhibited significantly impaired proteasomal activity. The functional analysis of identified physiologically important enzymes showed that their activity was reduced in diabetic condition. Loss of functional activity of these proteins was compensated by enhanced gene expression. Aggregation prone regions were predicted by in silico analysis and compared with advanced glycation end products modification sites. These findings suggested that the accumulation of protein aggregates is an inevitable consequence of impaired proteasomal activity and protease resistance due to advanced glycation end products modification. Molecular \& Cellular Proteomics 12: 10.1074/mcp.M112.020651, 228-236, 2013.
}, issn = {1535-9476}, doi = {10.1074/mcp.M112.020651}, author = {Bansode, Sneha B. and Chougale, Ashok D. and Joshi, Rakesh S. and Giri, Ashok P. and Bodhankar, Subhash L. and Harsulkar, Abhay M. and Kulkarni, Mahesh J.} } @article { ISI:000313557300004, title = {Proteomic profiling and interactome analysis of ER-positive/HER2/neu negative invasive ductal carcinoma of the breast: towards proteomics biomarkers}, journal = {OMICS-A Journal of Integrative Biology}, volume = {17}, number = {1}, year = {2013}, month = {JAN}, pages = {27-40}, publisher = {MARY ANN LIEBERT, INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {
Breast cancer, especially ER positive/HER2/neu negative IDC, is the predominant subtype of invasive ductal carcinoma. Although proteomic approaches have been used towards biomarker discovery in clinical breast cancer, ER positive/HER2/neu negative IDC is the least studied subtype. To discover biomarkers, as well as to understand the molecular events associated with disease progression of estrogen receptor positive/HER2/neu negative subtype of invasive ductal carcinoma, differential protein expression profiling was performed by using LC-MSE (MS at elevated energy). A total of 118 proteins were identified, of which 26 were differentially expressed. These identified proteins were functionally classified and their interactions and coexpression were analyzed by using bioinformatic tools PANTHER (Protein Analysis THrough Evolutionary Relationships) and STRING (Search Tool for the Retrieval of Interacting Genes). These proteins were found to be upregulated and were involved in cytoskeletal organization, calcium binding, and stress response. Interactions of annexin A5, actin, S100 A10, glyceraldehyde 3 phosphate dehydrogenase, superoxide dismutase 1, apolipoprotein, fibrinogen, and heat shock proteins were prominent. Differential expression of these proteins was validated by two-dimensional gel electrophoresis and Western blot analysis. The cluster of these proteins may serve as a signature profile for estrogen receptor positive/ HER2/neu negative subtype.
}, issn = {1536-2310}, doi = {10.1089/omi.2012.0054}, author = {Korwar, Arvind M. and Bhonsle, Hemangi S. and Ghole, Vikram S. and Gawai, Kachru R. and Koppikar, Chaitanyananda B. and Kulkarni, Mahesh J.} } @article { ISI:000313764300025, title = {Proteomic study reveals downregulation of apolipoprotein A1 in plasma of poorly controlled diabetes: a pilot study}, journal = {Molecular Medicine Reports}, volume = {7}, number = {2}, year = {2013}, month = {FEB}, pages = {495-498}, publisher = {SPANDIDOS PUBL LTD}, address = {POB 18179, ATHENS, 116 10, GREECE}, abstract = {
Proteomic approaches aid in gaining a better understanding of the pathophysiology of diabetic complications. In view of this, differential protein expression in diabetic plasma samples was studied by a combination of proteomic and western blot analyses. Diabetic plasma samples were categorized based on glycated haemoglobin levels as controlled diabetes (CD; 7-8\%), poorly controlled diabetes (PCD; \>8\%) and non-diabetic control (ND;\<6.4\%). Two-dimensional electrophoresis and liquid chromatography-mass spectrometry revealed differential expression of proteins including upregulation of fibrinogen and haptoglobin and downregulation of vitamin D binding protein, alpha-1-antitrypsin, transthyretin and apolipoprotein A1 (Apo A1) in diabetic compared with non-diabetic plasma samples. Amongst these proteins, Apo A1 downregulation was prominent in PCD. Downregulation of Apo A1 may serve as an early predictive marker of diabetic complications.
}, keywords = {biomarker, HbA1c, proteomics}, issn = {1791-2997}, doi = {10.3892/mmr.2012.1223}, author = {Bhonsle, Hemangi S. and Korwar, Arvind M. and Chougale, Ashok D. and Kote, Sachin S. and Dhande, Nitin L. and Shelgikar, Kishore M. and Kulkarni, Mahesh J.} } @article { ISI:000321431600027, title = {Proton-conducting supramolecular metallogels from the lowest molecular weight assembler ligand: a quote for simplicity}, journal = {Chemistry-A European Journal}, volume = {19}, number = {29}, year = {2013}, month = {JUL}, pages = {9562-9568}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Oxalic acid has been proven to be the lowest molecular weight organic ligand able to form robust supramolecular metallogel networks in the presence of metal salts. In particular, two novel multifunctional metallogels were readily prepared at room temperature by simple mixing of stock solutions of Cu-II acetate monohydrate or Cu-II perchlorate hexahydrate and oxalic acid dihydrate. Formation of different polymorphs and unprecedented proton conduction under anhydrous conditions were also demonstrated with some of these materials.
}, keywords = {Copper, low-molecular-weight ligands, metallogels, proton conductivity, supramolecular chemistry}, issn = {0947-6539}, doi = {10.1002/chem.201204542}, author = {Saha, Subhadeep and Schoen, Eva-Maria and Cativiela, Carlos and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000320305100009, title = {Purification and characterization of a thermolysin like protease from thermoactinomyces thalpophilus MCMB-380}, journal = {Protein and Peptide Letters}, volume = {20}, number = {8}, year = {2013}, month = {AUG}, pages = {918-925}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
The extracellular thermolysin like protease (TLP) was purified and characterized from Thermoactinomyces thalpophilus MCMB-380 (Genbank Accession No. EF397000). The enzyme was purified to homogeneity by successive ultra filtration steps using 50 kDa and 10 kDa membrane filters followed by anion exchange chromatography. The molecular mass and isoelectric point of the enzyme were found to be 34.4 kDa and 9.5, respectively. The proteolytic activity was inhibited by EDTA and the enzyme required Ca2+ to show the full activity as well as thermostability. The T-50 of the enzyme at 80 degrees C was 1 h and the activation energy was estimated to be 11.02 Kcal / mol. Atomic absorption spectrophotometric analysis revealed the presence of Zn2+ ion in the protein core indicating that it is a metalloprotease. This protease has commercial potential in catalyzing the condensation reaction of two amino acids for production of the dipeptide aspartame, an artificial sweetener. The one hour time-frame is significantly faster than that of the enzyme thermolysin from Bacillus thermoproteolyticus. Moreover the TLP was stable at 80 degrees C for one hour which makes it industrially robust. The Zn2+ ion in the T. thalpophilus protease appears to be necessary for maintaining the active conformation of the enzyme molecule.
}, keywords = {Metalloprotease, Thermostability, TLP}, issn = {0929-8665}, author = {Majumder, Devipriya R. and Kanekar, Pradnya P. and Gaikwad, Sushama M.} } @article { ISI:000326259800016, title = {Quantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant Ab initio QM/MM free-energy surfaces}, journal = {Journal of Physical Chemistry B}, volume = {117}, number = {42}, year = {2013}, month = {OCT}, pages = {12807-12819}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Understanding the nature of the free-energy surfaces for phosphate hydrolysis is a prerequisite for understanding the corresponding key chemical reactions in biology. Here, the challenge has been to move to careful ab initio QM/MM (QM(ai)/MM) free-energy calculations, where obtaining converging results is very demanding and computationally expensive. This work describes such calculations, focusing on the free-energy surface for the hydrolysis of phosphate monoesters, paying special attention to the comparison between the one water (1W) and two water (2W) paths for the proton-transfer (PT) step. This issue has been explored before by energy minimization with implicit solvent models and by nonsystematic QM/MM energy minimization, as well as by nonsystematic free-energy mapping. However, no study has provided the needed reliable 2D (3D) surfaces that are necessary for reaching concrete conclusions. Here we report a systematic evaluation of the 2D (3D) free-energy maps for several relevant systems, comparing the results of QM(ai)/MM and QM(ai)/implicit solvent surfaces, and provide an advanced description of the relevant energetics. It is found that the 1W path for the hydrolysis of the methyl diphosphate (MDP) trianion is 6-9 kcal/mol higher than that the 2W path. This difference becomes slightly larger in the presence of the Mg2+ ion because this ion reduces the plc of the conjugated acid form of the phosphate oxygen that accepts the proton. Interestingly, the BLYP approach (which has been used extensively in some studies) gives a much smaller difference between the 1W and 2W activation barriers. At any rate, it is worth pointing out that the 2W transition state for the PT is not much higher that the common plateau that serves as the starting point of both the 1W and 2W PT paths. Thus, the calculated catalytic effects of proteins based on the 2W PT mechanistic model are not expected to be different from the catalytic effects predicted using the 1W PT mechanistic model, which was calibrated on the observed barrier in solution and in which the TS charge distribution was similar to the that of the plateau (as was done in all of our previous EVB studies).
}, issn = {1520-6106}, doi = {10.1021/jp4020146}, author = {Plotnikoy, Nikolay V. and Prasad, B. Ram and Chakrabarty, Suman and Chu, Zhen T. and Warshel, Arieh} } @article {42741, title = {Rational design of highly active {\textquotedblleft}hybrid{\textquotedblright} phosphine-phosphinite pincer iridium catalysts for alkane metathesis}, journal = {ACS Catalysis}, volume = {3}, year = {2013}, month = {SEP}, pages = {2505{\textendash}2514}, abstract = {
Both the bisphosphine and bisphosphinite pincer complexes (tBu4PCP)IrH2 and (tBu4POCOP)IrH2 can cocatalyze alkane metathesis in tandem with olefin metathesis catalysts, but the two complexes have different resting states during catalysis, suggesting that different steps are turnover-limiting in each case. This led to the hypothesis that a complex with intermediate properties would be catalytically more active than either of these two species. Accordingly, {\textquotedblleft}hybrid{\textquotedblright} phosphine{\textendash}phosphinite pincer ligands (PCOP) and the corresponding iridium complexes were synthesized (3c{\textendash}e). In tandem with olefin-metathesis catalyst MoF12, (tBu4PCOP)IrH2 displays significantly higher activity for the metathesis of n-hexane than does (tBu4PCP)IrH2 or (tBu4POCOP)IrH2. (tBu2PCOPiPr2)IrH4 (3d) is even more active (\>30-fold more active than (tBu4POCOP)IrH2) and affords nearly 4.6 M alkane products after 8 h at 125 {\textdegree}C.
}, doi = {10.1021/cs400624c}, author = {Nawara-Hultzsch, Agnieszka J. and Hackenberg, Jason D. and Punji, Benudhar and Supplee, Carolyn and Emge, Thomas J. and Bailey, Brad C. and Schrock, Richard R. and Brookhart, Maurice and Goldman, Alan S.} } @article { ISI:000326946900004, title = {Rationally designed CuFe2O4-mesoporous Al2O3 composite towards stable performance of high temperature water-gas shift reaction}, journal = {Chemical Communications}, volume = {49}, number = {96}, year = {2013}, month = {JUL}, pages = {11257-11259}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
High temperature water-gas shift reaction was demonstrated for the first time on a CuFe2O4-mesoporous alumina nanocomposite between 350 and 550 degrees C with 70-80\% CO-conversion using simulated waste derived syngas under realistic conditions. Despite high Al-content, the catalyst exhibited stable activity, which was attributed to the nano-architectured robust porous nature of alumina integrated with surrounding CuFe2O4.
}, issn = {1359-7345}, doi = {10.1039/c3cc43699c}, author = {Subramanian, Vijayanand and Gnanakumar, Edwin S. and Jeong, Dae-Woon and Han, Won-Bi and Gopinath, Chinnakonda S. and Roh, Hyun-Seog} } @article { ISI:000318447100001, title = {Reactivity of thiophenes, oligothiophenes and benzothiophenes}, journal = {Advances in Heterocyclic Chemistry}, volume = {108}, year = {2013}, month = {DEC}, pages = {1-161}, publisher = {ELSEVIER ACADEMIC PRESS INC}, address = {525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
This article surveys the literature on the reactivity of thiophenes and benzothiophenes published since the appearance of the third edition of Comprehensive Heterocyclic Chemistry. Two areas that have received maximum attention are: (1) homo- and cross-coupling reactions leading to C C bond formation with high site selectivity and under mild reaction conditions, as well as the regioselective introduction of heteroatom substituents and (2) dithienylethenes and their symmetry-allowed photocyclized isomers, with special reference to the use of this photochromic system as photoswitching units.
}, keywords = {Benzothiophenes and oligothiophenes, Newer results on the reactivity of thiophenes, Pericyclic reactions, Transition metal-catalyzed bond formation}, isbn = {978-0-12-404598-9}, issn = {0065-2725}, doi = {10.1016/B978-0-12-404598-9.00001-8}, author = {Rajappa, Srinivasachari and Gumaste, Vikas K.}, editor = {Katritzky, A. R.} } @article { ISI:000327175500054, title = {Reactivity umpolung in intramolecular ring closure of 3,4-disubstituted butenolides: diastereoselective total synthesis of paeonilide}, journal = {Organic Letters}, volume = {15}, number = {22}, year = {2013}, month = {NOV}, pages = {5826-5829}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Remarkable reactivity reversal stratagem in 3,4-disubstituted butenolides under acidic conditions is described. Design of a suitably substituted multifunctional butenolide followed by an acid-catalyzed chemo- and diastereoselective intramolecular ring closure via the reactivity umpolung has been demonstrated to accomplish a concise total synthesis of paeonilide. Overall, the present protocol involves one-pot reduction of an a,alpha,beta-unsaturated carbon carbon double bond and intramolecular nucleophilic insertion of oxygen function at the electron-rich gamma-position of butenolide. The involved mechanistic aspects have also been discussed.
}, issn = {1523-7060}, doi = {10.1021/ol4028804}, author = {Deore, Prashant S. and N. P. Argade} } @article {PACHFULE, title = {Realistic host-vector transmission model for describing malaria prevalence pattern}, journal = {Bulletin of Mathematical Biology}, volume = {75}, number = {12}, year = {2013}, month = {DEC}, pages = {2499-2528}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Malaria continues to be a major public health concern all over the world even after effective control policies have been employed, and considerable understanding of the disease biology have been attained, from both the experimental and modelling perspective. Interactions between different general and local processes, such as dependence on age and immunity of the human host, variations of temperature and rainfall in tropical and sub-tropical areas, and continued presence of asymptomatic infections, regulate the host-vector interactions, and are responsible for the continuing disease prevalence pattern. In this paper, a general mathematical model of malaria transmission is developed considering short and long-term age-dependent immunity of human host and its interaction with pathogen-infected mosquito vector. The model is studied analytically and numerically to understand the role of different parameters related to mosquitoes and humans. To validate the model with a disease prevalence pattern in a particular region, real epidemiological data from the north-eastern part of India was used, and the effect of seasonal variation in mosquito density was modelled based on local climactic data. The model developed based on general features of host-vector interactions, and modified simply incorporating local environmental factors with minimal changes, can successfully explain the disease transmission process in the region. This provides a general approach toward modelling malaria that can be adapted to control future outbreaks of malaria.
}, keywords = {Basic reproduction number, Environmental effects, Malaria model, Prevalence data, Stability analysis}, issn = {0092-8240}, doi = {10.1007/s11538-013-9905-7}, author = {Mandal, Sandip and Sinha, Somdatta and Sarkar, Ram Rup} } @article {42740, title = {Recent advances in transition-metal-free direct C{\textendash}C and C{\textendash}heteroatom bond forming reactions}, journal = {RSC Advances}, volume = {3}, year = {2013}, month = {APR}, pages = {11957-11986}, abstract = {
The efficient generation of biaryl compounds and heterocycles via the advent of the transition-metal-free coupling reaction constitutes an important development in the last few years. Although early methods for the construction of such molecules involved transition metals, recent advances in the field have witnessed a myriad of elegant reports without the use of metal sources. The serendipitous discovery and observation of synthetic chemists have realized that there lies a great potential in exploiting the inherent reactivity of molecules in absence of transition metal. The key to the success of such coupling reactions is the use of a strong base, oxidant and a catalytic amount of N-donor ligands which contribute significantly. This review aims to highlight the recent progress in the field of transition-metal-free direct C{\textendash}C and C{\textendash}heteroatom bond forming reactions via the use of a strong base and (or) an oxidant.
}, doi = {10.1039/C3RA40813B}, author = {Mehta, Vaibhav P. and Punji, Benudhar} } @article { ISI:000325548600016, title = {Redox-mediated synthesis of functionalised graphene: a strategy towards 2D multifunctional electrocatalysts for energy conversion applications}, journal = {ChemPlusChem}, volume = {78}, number = {10}, year = {2013}, month = {OCT}, pages = {1296-1303}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A simple, one-step synthetic route for developing a two-dimensional multifunctional electrocatalyst is reported, by the functionalisation of graphene using oxidised ethylenedioxythiophene (O-EDOT). The mutually assisted redox reaction between graphene oxide (GO) and EDOT facilitates the reduction of GO to graphene with a concomitant deposition of O-EDOT on the surface of the graphene. The oxidised surface of GO catalyses the reaction without using an added reducing agent, so a controlled and uniform deposition of O-EDOT is ensured on the surface of graphene, which essentially prevents the restacking of the layers. UV/Visible, IR, Raman and X-ray photoelectron spectroscopy give valid evidence for the reduction and functionalisation of graphene sheets. The functional groups present on the surface of graphene are found to tune the physical and chemical properties of graphene. Consequently, the functionalised material displays enhanced electrocatalytic activity for the reduction of oxygen to water and I3- to I- relative to pristine graphene. These distinct property characteristics make the material a versatile cathode electrocatalyst for both alkaline anion-exchange membrane fuel cells and dye-sensitised solar cells.
}, keywords = {electrocatalysts, fuel cells, graphene, redox chemistry, solar cells}, issn = {2192-6506}, doi = {10.1002/cplu.201300153}, author = {Unni, SreeKuttan M. and Bhange, Siddheshwar N. and Anothumakkool, Bihag and Kurungot, Sreekumar} } @article { ISI:000326495000058, title = {Relating pore hydrophilicity with vapour adsorption capacity in a series of amino acid based metal organic frameworks}, journal = {CrystEngComm}, volume = {15}, number = {45}, year = {2013}, month = {AUG}, pages = {9634-9640}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new Zn based porous homochiral metal-organic framework, ThrZnOAc, belonging to unh topology, has been synthesized using pyridyl functionalized threonine and Zn(OAc)(2) as the metal precursor. Stepwise substitution of the homochiral MOF backbone by simply changing the sidearm of the amino acids (isopropyl in the case of valine, methyl in alanine and hydroxyethyl in threonine) resulted in increased water adsorption in ThrZnOAc compared to the previously reported ValZnOAc/AlaZnOAc. Extensive solvent sorption isotherms (water, methanol, isopropanol and toluene) have been carried out, which revealed high solvophilic interaction with polar solvents in ThrZnOAc due to the polar pore [2-hydroxyethyl {-CH(OH)CH3} sidearm of the amino acid], which is not prominent in the corresponding valine/alanine counterparts. The aforementioned functionalization in a series of isostructural amino acid based MOFs with the only difference being in the sidearm and their emergence as enhanced solvophilic materials is unprecedented in the MOF literature.
}, issn = {1466-8033}, doi = {10.1039/c3ce41083h}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Banerjee, Rahul} } @article {42863, title = {Relay catalytic branching cascade: technique to access diverse molecular scaffolds}, journal = {Angewandte Chemie International Edition}, volume = {52}, year = {2013}, month = {JAN}, pages = {2251-2255}, doi = {10.1002/anie.201208738}, author = {Patil, Nitin T. and Shinde, Valmik S. and Sridhar, Balasubramanian} } @article {42620, title = {Resistome analysis of mycobacterium tuberculosis: identification of aminoglycoside 2{\textquoteright}-nacetyltransferase (AAC) as co-target for drug desigining}, journal = {Bioinformation}, volume = {9}, year = {2013}, month = {FEB}, pages = {174-181}, abstract = {
The emergence of multidrug resistant tuberculosis (MDRTB) highlights the urgent need to understand the mechanisms of resistance to the drugs and to develop a new arena of therapeutics to treat the disease. Ethambutol, isonazid, pyrazinamide, rifampicin are first line of drugs against TB, whereas aminoglycoside, polypeptides, fluoroquinolone, ethionamide are important second line of bactericidal drugs used to treat MDRTB, and resistance to one or both of these drugs are defining characteristic of extensively drug resistant TB. We retrieved 1,221 resistant genes from Antibiotic Resistance Gene Database (ARDB), which are responsible for resistance against first and second line antibiotics used in treatment of Mycobacterium tuberculosis infection. From network analysis of these resistance genes, 53 genes were found to be common. Phylogenetic analysis shows that more than 60\% of these genes code for acetyltransferase. Acetyltransferases detoxify antibiotics by acetylation, this mechanism plays central role in antibiotic resistance. Seven acetyltransferase (AT-1 to AT-7) were selected from phylogenetic analysis. Structural alignment shows that these acetyltransferases share common ancestral core, which can be used as a template for structure based drug designing. From STRING analysis it is found that acetyltransferase interact with 10 different proteins and it shows that, all these interaction were specific to M. tuberculosis. These results have important implications in designing new therapeutic strategies with acetyltransferase as lead co-target to combat against MDR as well as Extreme drug resistant (XDR) tuberculosis.
}, doi = {10.6026/97320630009174}, author = {Joshi R. S. and Jamdhade M. D. and Sonawane M. S. and Giri, Ashok P.} } @article { ISI:000324223600112, title = {Response to the comments on {\textquoteleft}Investigations on Ru doped ZnO: strain calculations and gas sensing study{\textquoteright}}, journal = {Sensors and Actuators B-Chemical}, volume = {186}, year = {2013}, month = {SEP}, pages = {826}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, issn = {0925-4005}, doi = {10.1016/j.snb.2013.05.089}, author = {Navale, Shalaka C. and Ravi, V. and Mulla, Imtiaz S.} } @article { ISI:000321590000015, title = {Rhenium(I) tricarbonyl complex of 5,20-bis(p-tolyl)-10,15-bis(p-methoxyphenyl)-21-selenaporphyrin: first X-ray structural characterization of metal complex of 21-selenaporphyrin}, journal = {Dalton Transactions}, volume = {42}, number = {30}, year = {2013}, month = {MAY}, pages = {10798-10806}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Synthesis and first structural characterization of hexa coordinated rhenium(I)tricarbonyl complex of 5,20-bis( p-tolyl)-10,15-bis(p-methoxyphenyl)-21-selenaporphyrin 3 are described. The Re(I)complex of 21-selenaporphyrin 3 was synthesized by treating free base 21-selenaporphyrin in 1,2-dichlorobenzene with Re(CO)(5)Cl at reflux for 7 h and analyzed using mass, NMR, FT-IR, UV-vis and electrochemical techniques. The first structure of metal complex of 21-selenaporphyrin was determined by X-ray single crystal analysis. The crystal structure revealed that the Re(CO)(3) coordinates to two of the three inner nitrogens and one selenium to produce compound 3. The selenophene ring bent towards the Re(I)ion and the selenium is displaced by 0.41 angstrom from the mean plane of 24-atoms to coordinate with Re(I)ion in eta(1)-fashion. The 21-selenaporphyrin is distorted in compound 3 compared to free base 21-selenaporphyrin. H-1 and C-13 NMR studies indicated that compound 3 exhibits fluxional behaviour in coordination mode of binding in solution. The compound 3 is highly stable and does not undergo decomplexation under acidic conditions. The absorption spectra showed three broad Q-bands and splitted Soret band and electrochemical studies indicated that compound 3 is stable under redox conditions.
}, issn = {1477-9226}, doi = {10.1039/c3dt51024g}, author = {Ghosh, Avijit and Gonnade, Rajesh G. and Ravikanth, Mangalampalli} } @article { ISI:000326049600003, title = {Rheology and microstructural studies of regenerated silk fibroin solutions}, journal = {Rheologica Acta}, volume = {52}, number = {10-12}, year = {2013}, month = {NOV}, pages = {833-840}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Regenerated silk fibroin solutions (RSF) are produced by dissolving degummed silk fibers in water. We have observed that RSF solutions at a concentration less than 15 \% by weight exhibit an unusual gel-like response in conventional shear rheology measurements. At higher concentrations, the response is predominantly viscous (or liquid-like). We have probed this counterintuitive behavior of silk fibroin solutions by using microrheology, and interfacial rheometry. Scattering techniques were also used to understand the microstructure of RSF solutions as a function of the concentration. Our studies suggest that the gel-like response of the RSF solution may result from the formation of an interfacial film at the air-solution interface, which dominates the bulk rheological response.
}, keywords = {Interfacial rheology, Microrheology, Rheology, Silk}, issn = {0035-4511}, doi = {10.1007/s00397-013-0723-5}, author = {Nisal, Anuya and Kalelkar, Chirag and Bellare, Jayesh R. and Lele, Ashish K.} } @article { ISI:000326319800045, title = {Role of metal ion in specific recognition of pyrophosphate ion under physiological conditions and hydrolysis of the phosphoester linkage by alkaline phosphatase}, journal = {Inorganic Chemistry}, volume = {52}, number = {19}, year = {2013}, month = {OCT}, pages = {11034-11041}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Complexes synthesized from Zn(II), Cu(II), and Cd(II), using a dipicolyl amine derivative (L), showed unique specificity toward pyrophosphate ion (PPi or P4O74-) among all other common anionic analytes, including different biologically significant phosphate ion (PO43-, H2PO42-) or phosphate-ion-based nucleotides, such as AMP, ADP, ATP, and CTP. However, the relative affinities of PPi toward these three metal complexes were found to vary and follow the order K-a(L.Zn-PPi) \> are given in units of (L.Cu-PPi)(a) \>= K-a(L.Cd-PPi). Luminescence responses of the receptor L were substantial on binding to Zn2+ and Cd2+, while relatively a much smaller luminescence response was observed in the presence of Cu2+. Luminescence responses of L.M-PPi (M is Zn2+, Cd2+, and Cu2+) were further modified on binding to the PPi ion. This could be utilized for quantitative detection of PPi in physiological condition as well as for developing a real time {\textquoteleft}{\textquoteleft}turn-on{\textquoteright}{\textquoteright} (for L.Zn and L.Cu) and {\textquoteleft}{\textquoteleft}turn-off{\textquoteright}{\textquoteright} (for L.Cd) fluorescence assay for evaluating the enzymatic activity of alkaline phosphatase (ALP). Experimental results revealed how the subtle differences in the binding affinities between PPi and M in L.M (M is Zn2+, Cd2+, and Cu2+), could influence the cleavage of the phosphoester linkage in PPi by ALP. The DFT calculations further revealed that the hydrolytic cleavage of the metal ion coordinated phosphoester bond is kinetically faster than that for free PPi and thus, rationalized the observed difference in the cleavage of the phosphoester bond by an important mammalian enzyme such as ALP in the presence of different metal complexes.
}, issn = {0020-1669}, doi = {10.1021/ic401243h}, author = {Das, Priyadip and Chandar, Nellore Bhanu and Chourey, Shishir and Agarwalla, Hridesh and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000326296800033, title = {Role of substituents on the reactivity and electron density profile of diimine ligands: a density functional theory based study}, journal = {Journal of Chemical Sciences}, volume = {125}, number = {5}, year = {2013}, month = {SEP}, pages = {1247-1258}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
In this paper, we study the reactivity of diimines like 2, 2({\textquoteright})-bipyridine, 1, l0-phenanthroline and 1, 2, 4-triazines using density-based reactivity descriptors. We discuss the enhancement or diminution in the reactivity of these ligands as a function of two substituent groups, namely methyl (-CH3) group and phenyl (-C6H5) group. The global reactivity descriptors explain the global affinity and philicity of these ligands, whereas the local softness depicts the particular site selectivity. The inter-molecular reactivity trends for the same systems are analysed through the philicity and group philicity indices. The sigma-donor character of these ligands is quantified with the help of electron density profile. In addition, the possible strength of interaction of these ligands with metal ions is supported with actual reaction energies of Ru-L complexes.
}, keywords = {2, 2 {\textquoteleft}-bipyridine, DFT, diimine, Reactivity descriptors, Ru-ligand interaction, substituent effects}, issn = {0974-3626}, doi = {10.1007/s12039-013-0469-8}, author = {Kulkarni, Bhakti S. and Mishra, Deepti and Pal, Sourav} } @article { ISI:000318917900005, title = {Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability}, journal = {Chemical Communications}, volume = {49}, number = {46}, year = {2013}, month = {APR}, pages = {5262-5264}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
{Eight Zn-based porous (1.2 nm) homochiral MOFs (ValZnX, AlaZnX
}, issn = {1359-7345}, doi = {10.1039/c3cc41842a}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Saha, Subhadeep and Banerjee, Rahul} } @article { ISI:000326716300008, title = {Seasonal prediction of Indian summer monsoon in NCEP coupled and uncoupled model}, journal = {Theoretical and Applied Climatology}, volume = {114}, number = {3-4}, year = {2013}, month = {NOV}, pages = {459-477}, publisher = {SPRINGER WIEN}, address = {SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA}, abstract = {
This study has identified probable factors that govern ISMR predictability. Furthermore, extensive analysis has been performed to evaluate factors leading to the predictability aspect of Indian Summer Monsoon Rainfall (ISMR) using uncoupled and coupled version of National Centers for Environmental Prediction Coupled Forecast System (CFS). It has been found that the coupled version (CFS) has outperformed the uncoupled version [Global Forecast System (GFS)] of the model in terms of prediction of rainfall over Indian land points. Even the spatial distribution of rainfall is much better represented in the CFS as compared to that of GFS. Even though these model skills are inadequate for the reliable forecasting of monsoon, it imparts the capacious knowledge about the model fidelity. The mean monsoon features and its evolution in terms of rainfall and large-scale circulation along with the zonal and meridional shear of winds, which govern the strength of the monsoon, are relatively closer to the observation in the CFS as compared to the GFS. Furthermore, sea surface temperature-rainfall relation is fairly realistic and intense in the coupled version of the model (CFS). It is found that the CFS is able to capture El Nio Southern Oscillation ISMR (ENSO-ISMR) teleconnections much strongly as compared to GFS; however, in the case of Indian Ocean Dipole ISMR teleconnections, GFS has the larger say. Coupled models have to be fine-tuned for the prediction of the transition of El Nio as well as the strength of the mature phase has to be improved. Thus, to sum up, CFS tends to have better predictive skill on account of following three factors: (a) better ability to replicate mean features, (b) comparatively better representation of air-sea interactions, and (c) much better portrayal of ENSO-ISMR teleconnections. This study clearly brings out that coupled model is the only way forward for improving the ISMR prediction skill. However, coupled model{\textquoteright}s spurious representation of SST variability and mean model bias are detrimental in seasonal prediction.
}, issn = {0177-798X}, doi = {10.1007/s00704-013-0854-8}, author = {Chaudhari, Hemantkumar S. and Pokhrel, Samir and Mohanty, Sachiko and Saha, Subodh K.} } @article { ISI:000329137400042, title = {Selective imaging of quorum sensing receptors in bacteria using fluorescent Au nanocluster probes surface functionalized with signal molecules}, journal = {ACS Applied Materials \& Interfaces}, volume = {5}, number = {24}, year = {2013}, month = {DEC}, pages = {13076-13081}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Fluorescent ultrasmall gold clusters decorated with bacterial quorum sensing signal molecules, acyl homoserine lactone, are synthesized. These fluorescent probes are found to have emission in the near-infrared spectral region advantageous for bioimaging. Imaging studies using different. strains of bacteria with and without acyl homoserine lactone receptors with the aid of confocal microscopy have shown that the probe interacts preferentially with cells possessing these receptors. This indicates that, with appropriate surface functionalization, the Au clusters can be used for receptor specific detection with enhanced selectivity.
}, keywords = {Au nanoclusters, Biosensor, fluorescence imaging, quorum sensing}, issn = {1944-8244}, doi = {10.1021/am404093m}, author = {Mukherji, Ruchira and Samanta, Anupam and Illathvalappil, Rajith and Chowdhury, Somak and Prabhune, Asmita and Devi, R. Nandini} } @article { ISI:000316847500014, title = {Self-assembly in tailor-made polyfluorenes: synergistic effect of porous spherical morphology and fret for visual sensing of bilirubin}, journal = {Macromolecules}, volume = {46}, number = {6}, year = {2013}, month = {MAR}, pages = {2159-2171}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Two new fluorene-based homo- (PDP-PF) and copolymers (PDPPF-co-Ph) were synthesized with a bulky 3-pentadecylphenoxy (PDP) group appended hexyl chains at the 9, 9{\textquoteright} position using Suzuki coupling polymerization. Investigation on the morphology of the polymers using microscopic techniques like TEM and AFM indicated formation of self-assembled nanostructures like vesicles by PDP-PF and porous spheres by PDPPF-co-Ph respectively. Dynamic as well as static light scattering studies (DLS, SLS) in THF also indicated the existence of self-assembled nanosized particles in solution with a shape factor (rho) of 0.76 and 0.96 for PDP-PF and PDPPF-co-Ph, respectively, confirming the existence of vesicles in the case of the former and spherical particles in the case of the latter polymer. The favorable photophysical properties of the polyfluorenes were taken advantage of for the selective sensing of unbound bilirubin (BR) in THF. A high energy transfer efficiency of 86\% upon addition of bilirubin with color change from blue (polyfluorene emission) to green (FRET-induced bilirubin emission) was observed with PDPPF-co-Ph. Steady state fluorescence measurements gave a minimum donor-acceptor distance of 36 A(0) and time-resolved fluorescence decay measurements showed a reduction in average lifetime of PDPPF-co-Ph (from 450 to 240 ps) upon addition of bilirubin indicating efficient energy transfer. The open porous spherical assembly of PDPPF-co-Ph enabled better adsorption of the analyte, which along with the good spectral overlap resulted in greater efficiency for FRET-induced energy transfer. Sensing of unbound bilirubin was also attempted in THF/water solvent mixture in an effort to simulate the unbound (THF soluble) and bound (water-soluble) bilirubin equilibrium. Enhancement of bilirubin emission coupled with quenching of polyfluorene emission makes this approach adaptable for visual fluorimetric color change (blue to green) based sensor. Structural analogues such as biliverdin and porphyrin showed poor fluorescence quenching efficiency, thus highlighting the selectivity and sensitivity of the FRET-based sensing of bilirubin by the newly designed polyfluorene.
}, issn = {0024-9297}, doi = {10.1021/ma4000946}, author = {Senthilkumar, T. and Asha, S. K.} } @article {42493, title = {Self-assembly of modified rhodamine-6G with tri-block copolymer: unusual vesicles formation, pH sensing and dye release properties}, journal = {Journal of Materials Chemistry B}, volume = {1}, year = {2013}, month = {DEC}, pages = {1150-1155}, abstract = {
A new rhodamine-6G derivative having a C18-alkyl chain self-assembles with an amphiphilic tri-block copolymer and forms stable vesicles in water or in water{\textendash}ethanol (4 : 1, v/v) medium. The stability of the spirolactam form of the rhodamine-6G derivative in these vesicular structures, along with studies of controlled dye release and pH sensing are discussed. Transmission electron micrographs and DLS analyses confirm the formation of vesicular structures. Atomic force microscopy (AFM) images show that the self assembled tri-block copolymer-octadecyl rhodamine vesicles form near spherical nanostructures with a size ranging from 80 to 110 nm. Furthermore, the vesicular system is disassembled under acidic conditions, releasing the cargo which are an integral part of the vesicle. Dye-release studies showed that the release rates of the loaded dye in the vesicles could be well-controlled as a function of the media pH. These results offer an opportunity to use these nanovesicles as imaging reagents for probing media pH with their simultaneous use as nanocarriers for intracellular drug delivery.
}, doi = {10.1039/C2TB00193D}, author = {Praveen, L. and Saha, Sukdeb and Jewrajka, Suresh K. and Das, Amitava} } @article {43289, title = {Self-assembly to function: design, synthesis and broad spectrum antimicrobial properties of short hybrid E-vinylogous lipopeptides}, journal = {Journal of Medicinal Chemistry}, volume = {56}, year = {2013}, month = {NOV}, pages = {8468-8474}, abstract = {Nonribosomal E-vinylogous gamma-amino acids are widely present in many peptide natural products and have been exploited as inhibitors for serine and cysteine proteases. Here, we are reporting the broad spectrum antimicrobial properties and self-assembled nanostructures of various hybrid lipopeptides composed of 1:1 alternating alpha-and E-vinylogous residues. Analysis of the results revealed that self-assembled nanostructures also play a significant role in the antimicrobial and hemolytic activities. In contrast to the alpha-peptide counterparts, vinylogous hybrid peptides displayed excellent antimicrobial properties against various bacterial and fungal strains. Peptides that adopted nanofiber structures displayed less hemolytic activity, while peptides that adopted nanoneedle structures displayed the highest hemolytic activity.}, doi = {10.1021/jm400884w}, author = {Shankar, S. Shiva and Benke, Sushil N. and Nagendra, Narem and Srivastava, Prabhakar Lal and Thulasiram, Hirekodathakallu V. and Gopi, Hosahudya N.} } @article {43232, title = {Sensing behavior of atomically thin-layered MoS2 transistors}, journal = {ACS Nano}, volume = {7}, year = {2013}, month = {JUN}, pages = {4879-4891}, abstract = {Most of recent research on layered chalcogenides is understandably focused on single atomic layers. However, it is unclear if single-layer units are the most ideal structures for enhanced gas solid interactions. To probe this issue further, we have prepared large-area MoS2 sheets ranging from single to multiple layers on 300 nm SiO2/Si substrates using the micromechanical exfoliation method. The thickness and layering of the sheets were identified by optical microscope, invoking recently reported specific optical color contrast, and further confirmed by AFM and Raman spectroscopy. The MoS2 transistors with different thicknesses were assessed for gas-sensing performances with exposure to NO2, NH3, and humidity in different conditions such as gate bias and light Irradiation. The results show that, compared to the single-layer counterpart, transistors of few MoS2 layers exhibit excellent sensitivity, recovery, and ability to be manipulated by gate bias and green light. Further, our ab initio DFT calculations on single-layer and bilayer MoS2 show that the charge transfer is the reason for the decrease in resistance in the presence of applied field.}, doi = {10.1021/nn400026u}, author = {Late, Dattatray J. and Huang, Yi-Kai and Liu, Bin and Acharya, Jagaran and Shirodkar, Sharmila N. and Luo, Jiajun and Yan, Aiming and Charles, Daniel and Waghmare, Umesh V. and Dravid, Vinayak P. and Rao, C. N. R.} } @article { ISI:000325943200033, title = {Sequence dependent lipid-mediated effects modulate the dimerization of ErbB2 and its associative mutants}, journal = {Physical Chemistry Chemical Physics}, volume = {15}, number = {43}, year = {2013}, month = {SEP}, pages = {19031-19041}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The association of transmembrane helices is an important event in several biological processes, but the factors governing association, especially the non-specific environmental effects, have still not been elucidated. Here, we use coarse-grain molecular dynamics simulations to study the association of ErbB2 transmembrane helices and three {\textquoteleft}{\textquoteleft}oncogenic mutants.{\textquoteright}{\textquoteright} Self-assembly simulations and the dimerization free-energy profiles confirm an energetically-favorable dimerized state for both the wildtype and the mutants. The dissociation free energy of all three mutants is calculated to be larger than the wildtype peptide. Along with favourable protein-protein interactions, non-specific environmental effects are observed to contribute to the association. In particular, local bilayer thinning along with membrane perturbations are seen around the mutants. The membrane perturbations are reduced upon helix association, suggesting that lipid chain packing is an important driving force for helix dimerization. Our results highlight the importance of both specific as well as non-specific driving forces in the association of transmembrane helices.
}, issn = {1463-9076}, doi = {10.1039/c3cp52447g}, author = {Prasanna, Xavier and Praveen, P. J. and Sengupta, Durba} } @article { ISI:000323093300010, title = {Short synthesis of (2S,3S)-3-hydroxypipecolic acid}, journal = {Tetrahedron Letters}, volume = {54}, number = {36}, year = {2013}, month = {SEP}, pages = {4851-4853}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A convenient synthesis of (2S,3S)-3-hydroxypipecolic acid starting from cheap and abundant L-(+)-tartaric acid has been achieved. The strategy employs selective ester reduction and reductive lactamization as key steps. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Reductive lactamization, Selective deprotection, Wittig reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.06.111}, author = {Chavan, Subhash P. and Harale, Kishor R. and Pawar, Kailash P.} } @article { ISI:000319330200007, title = {Silencing an N-acyltransferase-like involved in lignin biosynthesis in nicotiana attenuata dramatically alters herbivory-induced phenolamide metabolism}, journal = {Plos One}, volume = {8}, number = {5}, year = {2013}, month = {MAY}, pages = {e62336}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
In a transcriptomic screen of Manduca sexta-induced N-acyltransferases in leaves of Nicotiana attenuata, we identified an N-acyltransferase gene sharing a high similarity with the tobacco lignin-biosynthetic hydroxycinnamoyl-CoA: shikimate/quinate hydroxycinnamoyl transferase (HCT) gene whose expression is controlled by MYB8, a transcription factor that regulates the production of phenylpropanoid polyamine conjugates (phenolamides, PAs). To evaluate the involvement of this HCT-like gene in lignin production as well as the resulting crosstalk with PA metabolism during insect herbivory, we transiently silenced (by VIGs) the expression of this gene and performed non-targeted (UHPLC-ESI/TOF-MS) metabolomics analyses. In agreement with a conserved function of N. attenuata HCT-like in lignin biogenesis, HCT-silenced plants developed weak, soft stems with greatly reduced lignin contents. Metabolic profiling demonstrated large shifts (up to 12\% deregulation in total extracted ions in insect-attacked leaves) due to a large diversion of activated coumaric acid units into the production of developmentally and herbivory-induced coumaroyl-containing PAs (N{\textquoteright}, N {\textquoteleft}{\textquoteright}-dicoumaroylspermidine, N{\textquoteright}, N {\textquoteleft}{\textquoteright}-coumaroylputrescine, etc) and to minor increases in the most abundant free phenolics (chlorogenic and cryptochlorogenic acids), all without altering the production of well characterized herbivory-responsive caffeoyl-and feruloyl-based putrescine and spermidine PAs. These data are consistent with a strong metabolic tension, exacerbated during herbivory, over the allocation of coumaroyl-CoA units among lignin and unusual coumaroyl-containing PAs, and rule out a role for HCT-LIKE in tuning the herbivory-induced accumulation of other PAs. Additionally, these results are consistent with a role for lignification as an induced anti-herbivore defense.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0062336}, author = {Gaquerel, Emmanuel and Kotkar, Hemlata and Onkokesung, Nawaporn and Galis, Ivan and Baldwin, Ian T.} } @article { ISI:000317956600008, title = {Silicon-induced general, mild, and efficient one-pot, three-component synthesis of amidoalkyl naphthol libraries}, journal = {Synlett}, volume = {24}, number = {6}, year = {2013}, month = {APR}, pages = {713-718}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A general mild and efficient protocol for the synthesis of amidoalkyl naphthol libraries was achieved utilizing tetrachlorosilane and zinc chloride in dichloromethane at ambient temperature via a one-pot, three-component condensation of various aldehydes, nitriles (amides), and beta-naphthol.
}, keywords = {amidoalkyl naphthols, combinatorial synthesis, multicomponent reactions, Ritter reaction, tetrachlorosilane}, issn = {0936-5214}, doi = {10.1055/s-0032-1318392}, author = {Salama, Tarek A.} } @article { ISI:000328335000013, title = {Simple synthesis of the novel antihistaminic drug olopatadine hydrochloride}, journal = {Synthesis-Stuttgart}, volume = {45}, number = {24}, year = {2013}, month = {DEC}, pages = {3399-3403}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A new alternative route for the synthesis of olopatadine is described. The present strategy involves a Lewis acid mediated ring opening of a cyclic ether to introduce 3-(dimethylamino)propylidene group as the side chain.
}, keywords = {antihistaminic drugs, chelates, Lewis acids, spiro compounds, zinc}, issn = {0039-7881}, doi = {10.1055/s-0033-1340008}, author = {Chavan, Subhash P. and Lasonkar, Pradeep B.} } @article { ISI:000323179000029, title = {Single pot conversion of furfuryl alcohol to levulinic esters and gamma-valerolactone in the presence of sulfonic acid functionalized ILs and metal catalysts}, journal = {Green Chemistry}, volume = {15}, number = {9}, year = {2013}, month = {JUL}, pages = {2540-2547}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Ionic liquids functionalized with acidic anions, HSO4, ClSO3H, PTSA, TFA (MIm), HSO4 and TFA (NMP) were found to efficiently (99\% conversion) catalyze the alcoholysis of furfuryl alcohol (FAL) in the presence of methanol, ethanol, n-butanol and isopropyl alcohol (IPA) to the corresponding levulinic acid esters under mild temperature (90-130 degrees C) conditions. The extended alkyl chain length of [MIm] using 1,4-butane sultone enhanced the Bronsted acidity of [BMIm-SH][HSO4] catalyst resulting into the highest selectivity of \>95\% to Me-LA. An increase in both temperature and catalyst concentration increased the furfuryl alcohol conversion and selectivity to levulinate esters. In contrast, an increase in the substrate concentration from 5 to 15\% caused a decrease in Me-LA selectivity due to accumulation of intermediate ethers of furfuryl alcohol. Using a combination of [BMIm-SH][HSO4] and 5\% Ru/C catalyst, direct conversion of FAL to gamma-valerolactone (GVL) is shown for the first time. A complete conversion of FAL with the highest selectivity of 68\% to GVL could be achieved under optimum conditions while higher Ru loading enhanced the GVL selectivity to 94\% in the hydrogenation step of this tandem approach. Our catalyst system could be efficiently recycled five times retaining the original activity and selectivity levels.
}, issn = {1463-9262}, doi = {10.1039/c3gc41098f}, author = {Hengne, Amol M. and Kamble, Sumit B. and Rode, Chandrashekhar V.} } @article { ISI:000318142300022, title = {Solution and in silico studies on the recombinant lectin from Cicer arietinum seeds}, journal = {International Journal of Biological Macromolecules}, volume = {56}, year = {2013}, month = {MAY}, pages = {149-155}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The Cicer arietinum seed lectin was cloned and expressed in Escherichia coli and purified in active form. Conformational characterization of the recombinant lectin (rCAL) was performed using biophysical and bioinformatics tools. Thermal denaturation of rCAL caused rapid secondary structural rearrangements above 50 degrees C and transient exposure of hydrophobic residues at 55 degrees C, leading to aggregation. Treatment of rCAL with GdnHCl resulted in unfolding followed by dissociation of the dimer. The single tryptophan in rCAL present on the surface of the protein is surrounded by hydrophobic and acidic amino acids and exists as different conformers. The experimental observations correlated well with the structural information revealed from the homology model of rCAL. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Aggregation, BL21-CodonPlus (DE3)-RIL cells, Cicer lectin, Homology model, Steady-state and time resolved fluorescence, Unfolding}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.02.015}, author = {Wakankar, Madhurima S. and Krishnasastry, Musti V. and Jaokar, Tulika M. and Patel, Krunal A. and Gaikwad, Sushama M.} } @article { ISI:000314743000016, title = {Solvent-free, highly efficient one-pot multi-component synthesis of 1-amido- and 1-carbamato-alkyl naphthols/phenols catalyzed by ethylammonium nitrate as reusable ionic liquid under neat reaction condition at ambient temperature}, journal = {Tetrahedron Letters}, volume = {54}, number = {7}, year = {2013}, month = {FEB}, pages = {672-675}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A solvent-free, environmentally clean, mild, and simple one-pot multi-component protocol has been developed for the efficient synthesis of 1-amido- and 1-carbamato-alkyl naphthols/phenols in excellent yields via one-pot three-component condensation of various aldehydes, amides/carbamates/urea, and naphthols/phenols using ethylammonium nitrate (EAN) as a reusable ionic liquid catalyst under neat reaction condition at ambient temperature. (c) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Aldehyde, amide, Carbamate Phenol, Ethylammonium nitrate (EAN), Urea}, issn = {0040-4039}, doi = {10.1016/j.tetlet2012.12.004}, author = {Mulla, Shafeek Abdul Rashid and Salama, Tarek A. and Pathan, Mohsinkhan Y. and Inamdar, Suleman M. and Chavan, Santosh S.} } @article { ISI:000323763000015, title = {Solvent-induced self-assembly of hydrogen bonded P4VP-perylenebisimide comb polymer}, journal = {Journal of Materials Chemistry C}, volume = {1}, number = {37}, year = {2013}, month = {JUL}, pages = {5925-5934}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Polymeric supramolecular assemblies were formed when an unsymmetric perylenebisimide substituted with ethylhexyl chains on one end and functionalized with 3-pentadecylphenol at the other termini (PDP-UPBI) was complexed with poly(4-vinylpyridine) (P4VP) via hydrogen-bonding interaction. The self-assembly behavior of this polymeric supramolecule poly(4-vinylpyridine)-perylenebisimide P4VP(PDP-UPBI)(1.0) was studied in solvents of varying polarity like chloroform (CHCl3) and methylcyclohexane (MCH). Variable concentration and variable temperature proton NMR studies in CDCl3 and deuterated 1,1,2,2-tetrachloroethane (TCE), respectively, revealed the polymeric nature of the perylenebisimide upon complexation and the high thermal stability of the self organized structures in solution. The improved solubility afforded by the complexation enabled variable temperature UV-Vis absorption studies in the non-polar solvent MCH, which indicated the existence of strong face-to-face stacked H-type aggregates. The strong fluorescence quenching in MCH also supported the identification of the nature of aggregates as co-facial H-type. Although the existence of aggregates was not very evident in dilute solutions of chloroform, the fluorescence of the P4VP(PDP-UPBI) 1.0 was quenched compared to that of PDP-UPBI. Thin spin coated films of the complex from chloroform exhibited features of rotationally displaced H-type aggregates characterized by blue shift of absorption maxima and the appearance of a new red shifted peak at 540 nm with weak aggregate emission beyond 600 nm. Morphology analysis of drop cast samples using scanning electron microscopy (SEM) and transmission electron microscopy (TEM) revealed the formation of micrometer long multilamellar nanofibers from CHCl3 and two dimensional multilamellar nanosheets upon switching the solvent to MCH.
}, issn = {2050-7526}, doi = {10.1039/c3tc31015a}, author = {Narayan, Rekha and Asha, S. K.} } @article { ISI:000313985200009, title = {Solving the problem of negative populations in approximate accelerated stochastic simulations using the representative reaction approach}, journal = {Journal of Computational Chemistry}, volume = {34}, number = {5}, year = {2013}, month = {FEB}, pages = {394-404}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Methods based on the stochastic formulation of chemical kinetics have the potential to accurately reproduce the dynamical behavior of various biochemical systems of interest. However, the computational expense makes them impractical for the study of real systems. Attempts to render these methods practical have led to the development of accelerated methods, where the reaction numbers are modeled by Poisson random numbers. However, for certain systems, such methods give rise to physically unrealistic negative numbers for species populations. The methods which make use of binomial variables, in place of Poisson random numbers, have since become popular, and have been partially successful in addressing this problem. In this manuscript, the development of two new computational methods, based on the representative reaction approach (RRA), has been discussed. The new methods endeavor to solve the problem of negative numbers, by making use of tools like the stochastic simulation algorithm and the binomial method, in conjunction with the RRA. It is found that these newly developed methods perform better than other binomial methods used for stochastic simulations, in resolving the problem of negative populations. (C) 2012 Wiley Periodicals, Inc.
}, keywords = {approximate methods, binomial distributions, Gillespie algorithm, Kinetic Monte Carlo, Poisson distributions, representative reaction approach, Stochastic simulations}, issn = {0192-8651}, doi = {10.1002/jcc.23158}, author = {Kadam, Shantanu and Vanka, Kumar} } @article { ISI:000314193500042, title = {Spatial and temporal changes in the volatile profile of alphonso mango upon exogenous ethylene treatment}, journal = {Food Chemistry}, volume = {136}, number = {2}, year = {2013}, month = {JAN}, pages = {585-594}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Alphonso is a highly favoured and exported mango cultivar among the vast mango germplasm of India. Being a climacteric fruit, ethylene plays an important role in ripening of mango. For deeper understanding of effect of pre-climacteric ethylene treatment on volatile profiles of Alphonso mango, 26 volatiles were tracked through six ripening stages of pulp and skin of ethylene-treated and control Alphonso fruits. The study revealed accelerated ripening in terms of early appearance of ripening-specific compounds, lactones and mesifuran, upon ethylene treatment. While the level of lactones remained unaffected, the mesifuran level vastly increased upon ethylene treatment. Skin showed high terpene content while pulp had higher amount of lactones compared to skin. This work points towards involvement of ethylene as a natural hormone in the biosynthesis of lactones and furanones in naturally ripened fruits; whereas, an increase in the terpene level during ripening appears to be independent of ethylene. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Ethylene, Flavour, Mango, Pre-climacteric, Ripening, Volatiles}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2012.08.029}, author = {Chidley, Hemangi G. and Kulkarni, Ram S. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article { ISI:000329331300031, title = {Spin transport and magnetic correlation parameters for graphene-like nanocarbon sheets doped with nitrogen}, journal = {Journal of Physical Chemistry C}, volume = {117}, number = {51}, year = {2013}, month = {DEC}, pages = {27105-27113}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Globally, graphene magnetism has captivated the attention of researchers in recent years. To obtain magnetic ordering, irregularities in the carbon network, like defects, adatoms, etc., are essential. Herein, we report on spin transport and magnetic correlations in graphene-like nanocarbon sheets (GNCs) that were doped with nitrogen by use of tetrakis(dimethylamino)ethylene (TDAE). The spin transport measurements, performed by electron spin resonance technique, showed that both spin-spin and spin-lattice relaxation times are increased by nitrogen doping. The magnetic correlations, measured on a vibrating sample magnetometer, showed that ordering parameters are reduced for nitrogen-loaded GNCs. Chemical analysis, carried out via electron spectroscopy, revealed that nitrogen atoms exchange couples electron-to-hole with the carbon network Analysis of I-V measurements showed that higher-order resistance is appreciably decreased for nitrogen-doped GNCs. The observed decrease is due to an increase in nonbonding states baying small local density. After doping, states in this region may be localized pi spin populated around the doped region. By and large, the approximately 20\% magnetization that exists in GNCs is found to be reduced to 5\% by introduction of nitrogen.
}, issn = {1932-7447}, doi = {10.1021/jp407262w}, author = {Alegaonkar, Ashwini P. and Kumar, Arvind and Patil, Sagar H. and Patil, Kashinath R. and Pardeshi, Satish K. and Alegaonkar, Prashant S.} } @article { ISI:000325762000061, title = {Stabilization of graphene quantum dots (GQDs) by encapsulation inside zeolitic imidazolate framework nanocrystals for photoluminescence tuning}, journal = {Nanoscale}, volume = {5}, number = {21}, year = {2013}, month = {SEP}, pages = {10556-10561}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Luminescent graphene quantum dots (GQDs) are encapsulated and stabilized in Zeolitic Imidazolate Framework (ZIF-8) nanocrystals. The GQDs are well confined due to the adsorption on the growing face of the ZIF-8 nanocrystals and have a profound effect on the shape of the nanocrystals from rhombic dodecahedron to spherical. Stabilizing GQDs inside the ZIF-8 nanocrystals results in tailoring of the photoluminescence emission (ca. 32 nm, bathochromic shift) of the GQD@ZIF-8 nanocrystal composite even after 3 months of aging under normal laboratory conditions. Also the water adsorption (at STP) capacity increased for the GQD@ ZIF-8 composite as compared to the pristine ZIF-8.
}, issn = {2040-3364}, doi = {10.1039/c3nr03511e}, author = {Biswal, Bishnu P. and Shinde, Dhanraj B. and Pillai, Vijayamohanan K. and Banerjee, Rahul} } @article { ISI:000327261700125, title = {Static and dynamic magnetic properties and effect of surface chemistry on the morphology and crystallinity of DyCrO3 nanoplatelets}, journal = {RSC Advances}, volume = {3}, number = {48}, year = {2013}, month = {OCT}, pages = {26427-26432}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In this contribution, the structural and magnetic properties of DyCrO3 nanoplatelets, synthesized by a hydrolytic sol-gel method, have been investigated. The crystalline phase of DyCrO3 was attained at the decomposition temperature of 800 degrees C for citric acid and oxalic acid, respectively and their structural analysis indicates a distorted orthorhombic perovskite structure of the DyCrO3 nanoplatelets. The dc-magnetization curve shows the Neel temperature of similar to 144 and similar to 146 K for DyCrO3 nanoplatelets synthesized using citric acid (DCO (C)) and oxalic acid (DCO (O)), respectively. In addition, DCO (O) shows weak anomalies at similar to 22 and similar to 6 K in the zero-field-cooled and field-cooled magnetization curves. Below the Neel temperature, DCO (C) and DCO (O) exhibit cross-over from positive to negative magnetization at similar to 143 and similar to 145 K, respectively. This was attributed to a Dy3+-Cr3+ interaction, which resulted in a weak ferromagnetic coupling (seen as a small opening in the M-H curves). The low temperature transition observed at similar to 6 K can be assigned to the onset of Dy3+-Dy3+ antiferromagnetic interaction.
}, issn = {2046-2069}, doi = {10.1039/c3ra43088j}, author = {Gupta, Preeti and Bhargava, Richa and Das, Raja and Poddar, Pankaj} } @article { ISI:000313591300016, title = {Static and dynamic magnetic properties and interplay of Dy3+, Gd3+ and Mn3+ spins in orthorhombic DyMnO3 and GdMnO3 nanoparticles}, journal = {Journal of Physics D-Applied Physics}, volume = {46}, number = {4}, year = {2013}, month = {JAN}, pages = {045301}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Single-phase orthorhombic DyMnO3 and GdMnO3 nanoparticles in the size range 60-70 and 35-45 nm, respectively, were synthesized using a modified hydrothermal method. The magnetic property measurements of DyMnO3 nanocrystals show anomalies around similar to 43K (antiferromagnetic (AFM) coupling between Mn3+ spins) and at 7K in the form of a peak in the zero-field-cooled curve (AFM coupling between Dy3+ spins). Whereas, GdMnO3 undergoes a phase transition at similar to 42K from paramagnetic to an incommensurate-antiferromagnetic phase (ICAFM) followed by a second anomaly at similar to 22 K, which could be associated with the transition from ICAFM into a canted A-type AFM ordering of the Mn3+ spins. This transition is followed by a long-range ordering of the Gd3+ moments at 6K yielding the canting of the Gd3+ spins with a ferromagnetic (FM) component antiparallel to the FM moment of the canted Mn3+ spins. No anomaly near the Neel temperature of the Mn moments for both DyMnO3 and GdMnO3 nanoparticles was observed in ac magnetization which were observed in dc magnetization. The room temperature Raman spectra of DyMnO3 shows two most intense Raman modes at 480 and 609 cm(-1) which can be assigned to an antisymmetric Jahn-Teller stretching mode and a symmetric or breathing stretching mode, respectively, involving Mn-O bond stretching.
}, issn = {0022-3727}, doi = {10.1088/0022-3727/46/4/045301}, author = {Das, Raja and Jaiswal, Adhish and Poddar, Pankaj} } @article {42703, title = {Stepwise metal-ligand cooperation via a reversible aromatization-deconjugation-sequence in ruthenium complexes with a tetradentate phenanthroline-based ligand}, journal = {Chemistry - A European Journal}, volume = {19}, year = {2013}, month = {MAR}, pages = {3407{\textendash}3414}, abstract = {
The synthesis and reactivity of ruthenium complexes containing the tetradentate phenanthroline-based phosphine ligand 2,9-bis((di-tert-butylphosphino)methyl)-1,10-phenanthroline (PPhenP) is described. The hydrido chloro complex [RuHCl(PPhenP)] (2) undergoes facile dearomatization upon deprotonation of the benzylic position, to give [RuH(PPhenP-H)] (4). Addition of dihydrogen to 4 causes rearomatization of the phenanthroline moiety to trans-[Ru(H)2(PPhenP)] (5), followed by hydrogenation of an aromatic heterocycle in the ligand backbone, to give a new dearomatized and deconjugated complex [RuH(PPhenP*-H)] (6). These aromatization/deconjugation steps of the coordinated ligand were demonstrated to be reversible and operative in the dehydrogenation of primary alcohols without the need for a hydrogen acceptor. This aromatization/deconjugation sequence constitutes an unprecedented mode of a stepwise cooperation between the metal center and the coordinated ligand.
}, doi = {10.1002/chem.201204003}, author = {Langer, Robert and Fuchs, Ido and Vogt, Matthias and Balaraman, Ekambaram and Diskin-Posner, Yael and Shimon, Linda J. W. and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000316064700007, title = {Structural and catalytic properties of a novel vanadium containing solid core mesoporous silica shell catalysts for gas phase oxidation reaction}, journal = {Journal of Chemical Sciences}, volume = {125}, number = {1}, year = {2013}, month = {JAN}, pages = {63-69}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
A novel vanadium containing solid core mesoporous silica shell catalyst was synthesized with different Si/V ratios by sol-gel method under neutral conditions. The synthesized materials were characterized by various techniques and gas phase diphenyl methane oxidation reaction. The mesoporosity combined with microporosity are formed by incorporation of octadecyltrichloro silane and triethylamine in the catalyst and it was found out from E-DAX and BET-surface area analysis. The material was found to be nanocrystalline. Vanadium is present as V4 + species in as-synthesized samples and convert to V5 + on calcination. Most of the vanadium is present in tetrahedral or square pyramidal environment. Incorporation of vanadium in silica framework was confirmed by Si-29 MAS NMR analysis. Among the various vanadium containing solid core mesoporous silica shell catalysts, the Si/V = 100 ratio exhibited maximum efficiency towards diphenyl methane to benzophenone gas phase reaction. The optimum condition required for maximum conversion and selectivity was found out from the catalytic studies.
}, keywords = {diphenylmethane, Gas phase oxidation, vanadium containing solid core mesoporous silica shell}, issn = {0974-3626}, doi = {10.1007/s12039-013-0365-2}, author = {Venkatathri, N. and Pillai, Vijayamohanan K. and Rajini, A. and Raju, M. Nooka and Reddy, I. A. K.} } @article { ISI:000313896900021, title = {Structural and dynamical properties of polyethylenimine in explicit water at different protonation states: a molecular dynamics study}, journal = {Soft Matter}, volume = {9}, number = {7}, year = {2013}, month = {JAN}, pages = {2269-2281}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
PEI is a pH sensitive polymer which acts as a proton sponge in acidic conditions. Despite many experimental and theoretical efforts, a fundamental understanding of the structure and dynamics of linear PEI chains on the atomistic level at different protonation states in dilute solutions remains a topic of discussion. This report analyses the structural properties of PEI at different protonation states, which are representative of different pH, using all atomistic molecular dynamic simulations. The structural properties revealed that the polymer at high pH (basic medium) is highly coiled, while at low pH (strong acidic conditions) the chains are elongated. We studied the dynamics and ordering of water molecules that are part of the solvation shells of the PEI chains at different protonation states. We observe that the water molecules are ordered along the polymer backbone for a completely protonated PEI chain (i.e. in the case of acidic pH) and hop to the neighbouring solvation shell. The residence time and the self-diffusion of water molecules in the solvation shells and their activation barriers were also calculated and analysed further. We concluded the study by correlating the solvation shell water dynamics and the structure of the PEI chain at different protonation states.
}, issn = {1744-683X}, doi = {10.1039/c2sm26290h}, author = {Choudhury, Chandan Kumar and Roy, Sudip} } @article { ISI:000325211000079, title = {Structural and logical analysis of a comprehensive hedgehog signaling pathway to identify alternative drug targets for glioma, colon and pancreatic cancer}, journal = {Plos One}, volume = {8}, number = {7}, year = {2013}, month = {JUL}, pages = {e69132}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Hedgehog is an evolutionarily conserved developmental pathway, widely implicated in controlling various cellular responses such as cellular proliferation and stem cell renewal in human and other organisms, through external stimuli. Aberrant activation of this pathway in human adult stem cell line may cause different types of cancers. Hence, targeting this pathway in cancer therapy has become indispensable, but the non availability of detailed molecular interactions, complex regulations by extra- and intra-cellular proteins and cross talks with other pathways pose a serious challenge to get a coherent understanding of this signaling pathway for making therapeutic strategy. This motivated us to perform a computational study of the pathway and to identify probable drug targets. In this work, from available databases and literature, we reconstructed a complete hedgehog pathway which reports the largest number of molecules and interactions to date. Using recently developed computational techniques, we further performed structural and logical analysis of this pathway. In structural analysis, the connectivity and centrality parameters were calculated to identify the important proteins from the network. To capture the regulations of the molecules, we developed a master Boolean model of all the interactions between the proteins and created different cancer scenarios, such as Glioma, Colon and Pancreatic. We performed perturbation analysis on these cancer conditions to identify the important and minimal combinations of proteins that can be used as drug targets. From our study we observed the under expressions of various oncoproteins in Hedgehog pathway while perturbing at a time the combinations of the proteins GLI1, GLI2 and SMO in Glioma; SMO, HFU, ULK3 and RAS in Colon cancer; SMO, HFU, ULK3, RAS and ERK12 in Pancreatic cancer. This reconstructed Hedgehog signaling pathway and the computational analysis for identifying new combinatory drug targets will be useful for future in-vitro and in-vivo analysis to control different cancers.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0069132}, author = {Chowdhury, Saikat and Pradhan, Rachana N. and Sarkar, Ram Rup} } @article { ISI:000326495000001, title = {Structural design of coordination polymers}, journal = {Crystengcomm}, volume = {15}, number = {45}, year = {2013}, month = {OCT}, pages = {9237-9238}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {1466-8033}, doi = {10.1039/c3ce90156d}, author = {Du, Miao and Banerjee, Rahul and Shimizu, George K. H.} } @article { ISI:000320332500027, title = {Structural isomerism leading to variable proton conductivity in indium(III) isophthalic acid based frameworks}, journal = {Chemical Communications}, volume = {49}, number = {55}, year = {2013}, month = {MAY}, pages = {6197-6199}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Proton conductivity has been studied thoroughly in two isomeric In(III)-isophthalate based MOFs. In-IA-2D-1 is capable of showing proton conductivity (3.4 x 10(-3) S cm(-1)) under humidified conditions (98\% RH), whereas In-IA-2D-2 can conduct protons (2.6 x 10(-5) S cm(-1)) under humidified as well as anhydrous conditions.
}, issn = {1359-7345}, doi = {10.1039/c3cc41939h}, author = {Panda, Tamas and Kundu, Tanay and Banerjee, Rahul} } @article { ISI:000323584400008, title = {Structural modelling of substrate binding and inhibition in penicillin V acylase from pectobacterium atrosepticum}, journal = {Biochemical and Biophysical Research Communications}, volume = {437}, number = {4}, year = {2013}, month = {AUG}, pages = {538-543}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Penicillin V acylases (PVAs) and bile salt hydrolases (BSHs) have considerable sequence and structural similarity; however, they vary significantly in their substrate specificity. We have identified a PVA from a Gram-negative organism, Pectobacterium atrosepticum (PaPVA) that turned out to be a remote homolog of the PVAs and BSHs reported earlier. Even though the active site residues were conserved in PaPVA it showed high specificity towards penV and interestingly the penV acylase activity was inhibited by bile salts. Comparative modelling and docking studies were carried out to understand the structural differences of the binding site that confer this characteristic property. We show that PaPVA exhibits significant differences in structure, which are in contrast to those of known PVAs and such enzymes from Gram-negative bacteria require further investigation. (C) 2013 Elsevier Inc. All rights reserved.
}, keywords = {Bile salt hydrolase, docking, Homology modelling, Inhibition, Pectobacterium, Penicillin acylase}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2013.06.109}, author = {Avinash, Vellore Sunder and Panigrahi, Priyabrata and Suresh, C. G. and Pundle, Archana V. and Ramasamy, Sureshkumar} } @article { ISI:000318634000040, title = {Structural variations of D-pi-A dyes influence on the photovoltaic performance of dye-sensitized solar cells}, journal = {RSC Advances}, volume = {3}, number = {21}, year = {2013}, month = {MAR}, pages = {7921-7927}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Two new organic D-pi-A dyes containing identical pi-conjugated spacer and anchoring/acceptor moieties but different donor groups were designed and synthesized. These dyes containing didodecylcyclopentadithiophene (CPDT) as a spacer, cyanoacrylic acid as an acceptor and N-butyl-carbazole or N-butyl-phenothiazine moieties as electron donor groups are labelled as V4 and V11 dyes, respectively. The variation in the donor group of these two dyes, that influences the photophysical, electrochemical and photovoltaic parameters, was investigated. The highest photovoltaic conversion efficiency of 7.5\% was obtained with V4 dye at AM 1.5 G full sunlight intensity (100 mWcm(-2)). Comparison of phenothiazine donor dyes with two different pi-conjugated spacers, CPDT (V11) and vinyl thiophene (V7) containing devices shows that the V-oc of V7 dye is lower than that of V11 due to the downward shift of the conduction band edge. Transient photovoltage and electrochemical impedance spectroscopy measurements were performed to explain the differences in the PV parameters by varying the donors and/or spacer groups.
}, issn = {2046-2069}, doi = {10.1039/c3ra22249g}, author = {Marszalek, Magdalena and Nagane, Satyawan and Ichake, Amol and Humphry-Baker, Robin and Paul, Vincent and Zakeeruddin, Shaik M. and Gratzel, Michael} } @article { ISI:000314376100032, title = {Structural-functional insights of single and multi-domain capsicum annuum protease inhibitors}, journal = {Biochemical and Biophysical Research Communications}, volume = {430}, number = {3}, year = {2013}, month = {JAN}, pages = {1060-1065}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Pin-II protease inhibitors (PIs) are the focus of research interest because of their large structural-functional diversity and relevance in plant defense. Two representative Capsicum annuum PI genes (CanPI-15 and -7) comprising one and four inhibitory repeat domains, respectively, were expressed and recombinant proteins were characterized. beta-Sheet and unordered structure was found predominant in CanPI-15 while -7 also displayed the signatures of polyproline fold, as revealed by circular dichroism studies. Inhibition kinetics against bovine typsin indicated three times higher potency of CanPI-7 (K-i similar to 57 mu M) than -15 (similar to 184 mu M). Activity and structural stability of these CanPIs were revealed under various conditions of pH, temperature and denaturing agent. Structure prediction, docking studies with proteases and mass spectroscopy revealed the organization of multiple reactive site loops of multi domain PIs in space as well as the steric hindrances imposed while binding to proteases due to their close proximity. (C) 2012 Elsevier Inc. All rights reserved.
}, keywords = {CanPI, Circular dichroism, Disulfide bonding, Potato type-II protease inhibitors, Protein stability}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2012.12.038}, author = {Mishra, Manasi and Joshi, Rakesh S. and Gaikwad, Sushama M. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000324679400001, title = {Structure elucidation of beta-cyclodextrin-xylazine complex by a combination of quantitative H-1-H-1 ROESY and molecular dynamics studies}, journal = {Beilstein Journal of Organic Chemistry}, volume = {9}, year = {2013}, month = {SEP}, pages = {1917-1924}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {
The complexation of xylazine with beta-cyclodextrin was studied in aqueous medium. H-1 NMR titrations confirmed the formation of a 1:1 inclusion complex. A ROESY spectrum was recorded with long mixing time which contained TOCSY artifacts. It only confirmed the presence of xylazine aromatic ring in the beta-cyclodextrin cavity. No information regarding the mode of penetration, from the wide or narrow side, could be obtained. We calculated the peak intensity ratio from the inter-proton distances for the most stable conformations obtained by molecular dynamics studies in vacuum. The results show that highly accurate structural information can be deduced efficiently by the combined use of quantitative ROESY and molecular dynamics analysis. On the other hand, a ROESY spectrum with no spin diffusion can only compliment an averaged ensemble conformation obtained by molecular dynamics which is generally considered ambiguous.
}, keywords = {beta-cyclodextrin, inclusion complex, ROESY, simulation studies, xylazine}, issn = {1860-5397}, doi = {10.3762/bjoc.9.226}, author = {Ali, Syed Mashhood and Fatma, Kehkeshan and Dhokale, Snehal A.} } @article { ISI:000312452700005, title = {Structure-property relationship of different types of polyester industrial yarns}, journal = {Journal of the Textile Institute}, volume = {104}, number = {1}, year = {2013}, month = {JAN}, pages = {35-45}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Four major types of polyester industrial yarns (1000 Denier) which are used commercially were studied for their key structural parameters. An attempt has been made to establish a relationship between morphology and properties of these yarns. High tenacity (HT) polyester yarn has the highest birefringence, amorphous orientation, and long period but is relatively less crystalline. High shrinkage characteristic of HT polyester yarn can be accounted for its higher amorphous orientation. High modulus low shrinkage (HMLS) polyester yarn has higher crystallinity and crystal size compared to HT yarn. Fraction of tie molecules of these yarns has been calculated and found that low shrinkage (LS) and super low shrinkage (SLS) yarns have lesser tie molecules. These LS and SLS yarns are tailor-made to achieve lower shrinkage and at the same time maintaining a good level of tenacity. This is achieved with lower amorphous orientation in the final drawn yarn structure. Amorphous orientation was found to have stronger influence than any other structural parameter on the key yarn properties like modulus, tenacity, elongation, and shrinkage.
}, keywords = {modulus, orientation, polyester, shrinkage, structure}, issn = {0040-5000}, doi = {10.1080/00405000.2012.693277}, author = {Samui, Barun Kumar and Prakasan, Manikanda Priya and Ramesh, C. and Chakrabarty, Debabrata and Mukhopadhyay, R.} } @article { ISI:000313613800011, title = {Studies on fabrication, characterization, and metal extraction using metal chelating nonwoven nanofiber mats of poly(vinyl alcohol) and sodium alginate blends}, journal = {Polymer Engineering and Science}, volume = {53}, number = {2}, year = {2013}, month = {FEB}, pages = {321-333}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Poly(vinyl alcohol) and sodium alginate blends with and without the metal chelate, bis(2,4,4-trimethylpentyl)phosphinic acid were prepared in various compositions and fabricated to stable nanofibers and films to evaluate their efficacy for metals adsorption and desorption. Surface morphology of the nanofibers was characterized by scanning electron microscopy. The solution properties and variation in content of sodium alginate in the feed mixture have influenced morphology of nanofibers. However, influence of bis(2,4,4-trimethylpentyl)phosphinic acid was insignificant. The films and nanofibers were characterized using Fourier transform infrared spectroscopy, differential scanning calorimetry, thermo gravimetric analysis, and X-ray diffraction to understand compatibility between polymers, thermal stability, decomposition temperature, and variations in crystallinity. Metal adsorption studies for nanofiber mats comprising bis(2,4,4-trimethylpentyl)phosphinic acid were demonstrated using copper (II), cobalt(II), and nickel(II) salts. The nanofibers adsorbed more copper (363 mg/g) when compared with films (105 mg/g). Nanofiber mats immobilized with bis(2,4,4-trimethylpentyl)phosphinic acid adsorbed copper in greater magnitude (497 mg/g) than nanofiber mats without bis(2,4,4-trimethylpentyl)phosphinic acid (363 mg/g). However, adsorption of cobalt and nickel was very low to be detected. The metal adsorption and desorption studies were also confirmed by energy dispersive X-ray spectroscopy. POLYM. ENG. SCI., 2013. (c) 2012 Society of Plastics Engineers
}, issn = {0032-3888}, doi = {10.1002/pen.23267}, author = {Rathna, G. V. N. and Birajdar, Mallinath S. and Bhagwani, Manish and Paul, V. L.} } @article {42641, title = {Study of grafting of polylactic acid and its copolymer with 12-hydroxy stearic acid on the surface of MWCNT by 13CCP/MAS and AFM}, journal = {International Journal of Research in Pharmacy and Chemistry}, volume = {3}, year = {2013}, month = {JAN}, abstract = {
The purpose of this study to study the structure property relationship of grafted material on MWCNT, the determination of NMR nuclei spin-lattice (T1) and spin-spin (T2) relaxation times suggest that the broaden signals are associated with diamagnetic species namely the nanotube attached polymer moieties. the AFM image of PLA oligomer grafted MWCNTs and topography patterns comprised of height from 0-250 nm and the side lengths ranging from 0.0 to 7.7 {\textmu}m. Surface patches are formed randomly distributed employing that the presence of side chain hanged at 12-postion in the copolymer grafted on MWCNTs.
}, issn = { 2231-2781}, author = {Pandey, Asutosh K. and Garnaik, Baijayantimala} } @article { ISI:000326207900011, title = {Study of hydration of sarcosine, formation of its zwitterion and their different oligomers in aqueous media: a Raman spectroscopic and theoretical study}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {116}, year = {2013}, month = {DEC}, pages = {74-83}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
{Raman spectra of the biologically important molecule sarcosine (SAR) (C3H7NO2) were studied experimentally in aqueous solution at different concentrations. These spectra were also calculated theoretically using density functional theory (DFT) at the B3LYP/6-31 1++G(d,p) level. Further, all the observed normal modes were assigned through potential energy distribution (PED). Geometry optimization of SAR produced its three conformers with slightly different energies. The lowest energy conformer of SAR was selected for a systematic solvation study wherein different numbers of water molecules (nW
}, keywords = {DFT calculations, Hydration, Oligomer, Raman spectra, Sarcosine, Zwitterion}, issn = {1386-1425}, doi = {10.1016/j.saa.2013.06.041}, author = {Sharma, Poornima and Singh, Dheeraj K. and Gupta, Vineet and Asthana, B. P. and Mishra, P. C. and Singh, Ranjan K.} } @article { ISI:000323177900012, title = {Study of interatomic coulombic decay of Ne(H2O)(n) (n=1,3) clusters using equation-of-motion coupled-cluster method}, journal = {Journal of Chemical Physics}, volume = {139}, number = {6}, year = {2013}, month = {AUG}, pages = {Article No. 064112}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Interatomic Coulombic decay (ICD) is an efficient and ultrafast radiationless decay mechanism which can be initiated by removal of an electron from the inner-valence shell of an atom or molecule. Generally, the ICD mechanism is prevailed in weakly bound clusters. A very promising approach, known as CAP/EOM-CC, consists of the combination of complex absorbing potential (CAP) with the equation-of-motion coupled-cluster (EOM-CC) method, is applied for the first time to study the nature of the ICD mechanism. We have applied this technique to determine the lifetime of an auto-ionized, inner-valence excited state of the NeH2O, Ne(H2O)(2), and Ne(H2O)(3) systems. The lifetime is found to be very short and decreases significantly with the number of neighboring water molecules. (C) 2013 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4817966}, author = {Ghosh, Aryya and Pal, Sourav and Vaval, Nayana} } @article { ISI:000325738700001, title = {Sugar furanoid trans-vicinal diacid as a gamma-turn inducer: synthesis and conformational study}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {40}, year = {2013}, month = {OCT}, pages = {6874-6878}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple method for the synthesis of a sugar furanoid trans vicinal diacid and its incorporation into the N-terminal tetrapeptide sequence (H-Phe-Trp-Lys-Thr-OH) to get glycopeptide 8 has been described. 2D NMR and MD simulation studies of 8 clearly show that the sugar diacid adopts a gamma-turn conformation towards the N-terminus.
}, issn = {1477-0520}, doi = {10.1039/c3ob41462k}, author = {Vangala, Madhuri and Dhokale, Snehal A. and Gawade, Rupesh L. and Pattuparambil, Rajamohanan R. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000327521300003, title = {Superior field emission properties of layered WS2-RGO nanocomposites}, journal = {Scientific Reports}, volume = {3}, year = {2013}, month = {NOV}, pages = {3282}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
We report here the field emission studies of a layered WS2-RGO composite at the base pressure of similar to 1 x 10(-8) mbar. The turn on field required to draw a field emission current density of 1 mu A/cm(2) is found to be 3.5, 2.3 and 2 V/mu m for WS2, RGO and the WS2-RGO composite respectively. The enhanced field emission behavior observed for the WS2-RGO nanocomposite is attributed to a high field enhancement factor of 2978, which is associated with the surface protrusions of the single-to-few layer thick sheets of the nanocomposite. The highest current density of similar to 800 mu A/cm(2) is drawn at an applied field of 4.1 V/mu m from a few layers of the WS2-RGO nanocomposite. Furthermore, first-principles density functional calculations suggest that the enhanced field emission may also be due to an overalp of the electronic structures of WS2 and RGO, where graphene-like states are dumped in the region of the WS2 fundamental gap.
}, issn = {2045-2322}, doi = {10.1038/srep03282}, author = {Rout, Chandra Sekhar and Joshi, Padmashree D. and Kashid, Ranjit V. and Joag, Dilip S. and More, Mahendra A. and Simbeck, Adam J. and Washington, Morris and Nayak, Saroj K. and Late, Dattatray J.} } @article { ISI:000325442600098, title = {Supplementation of medium with diammonium hydrogen phosphate enhanced the D-lactate dehydrogenase levels leading to increased D-lactic acid productivity}, journal = {Bioresource Technology}, volume = {146}, year = {2013}, month = {OCT}, pages = {736-739}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The production of D-lactic acid by Lactobacillus lactis RM2-24 was investigated using modified media to increase the efficiency of the fermentation process. The results indicated that the addition of 5 g/l peptone and 1 g/l (NH4)(2)HPO4 enhanced D-lactic acid production by 32\%, as compared to that obtained from non supplemented media, with a productivity of 3.0 g/l/h. Lactate dehydrogenase (LDH) expression profile in these different media was studied which resulted in appearance of additional LDH isoform produced by cells when they were grown in HSYE supplemented with (NH4)(2)HPO4. The additional LDH appears to be L-LDH contributing to production of L-lactic acid in the fermented broth. This is totally new information in the lactic acid fermentation and could be very useful to industries engaged in D-lactic acid production. (c) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {D(-) lactic acid production, Lactate dehydrogenase, Lactobacillus delbrueckii Uc-3, Lactobacillus lactis RM2-24}, issn = {0960-8524}, doi = {10.1016/j.biortech.2013.07.057}, author = {Singhvi, Mamata and Jadhav, Akanksha and Gokhale, Digambar V.} } @article { ISI:000328941200014, title = {Supramolecular nanoparticles that target phosphoinositide-3-kinase overcome insulin resistance and exert pronounced antitumor efficacy}, journal = {Cancer Research}, volume = {73}, number = {23}, year = {2013}, month = {DEC}, pages = {6987-6997}, publisher = {AMER ASSOC CANCER RESEARCH}, address = {615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA}, abstract = {
The centrality of phosphoinositide-3-kinase (PI3K) in cancer etiology is well established, but clinical translation of PI3K inhibitors has been limited by feedback signaling, suboptimal intratumoral concentration, and an insulin resistance {\textquoteleft}{\textquoteleft}class effect.{\textquoteright}{\textquoteright} This study was designed to explore the use of supramolecular nanochemistry for targeting PI3K to enhance antitumor efficacy and potentially overcome these limitations. PI3K inhibitor structures were rationally modified using a cholesterol-based derivative, facilitating supramolecular nanoassembly with L-alpha-phosphatidylcholine and DSPE-PEG [1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-[amino(polythylen e glycol)]. The supramolecular nanoparticles (SNP) that were assembled were physicochemically characterized and functionally evaluated in vitro. Antitumor efficacy was quantified in vivo using 4T1 breast cancer and K-Ras(LSL/+)/Pten(fl/fl) ovarian cancer models, with effects on glucose homeostasis evaluated using an insulin sensitivity test. The use of PI103 and PI828 as surrogate molecules to engineer the SNPs highlighted the need to keep design principles in perspective; specifically, potency of the active molecule and the linker chemistry were critical principles for efficacy, similar to antibody-drug conjugates. We found that the SNPs exerted a temporally sustained inhibition of phosphorylation of Akt, mTOR, S6K, and 4EBP in vivo. These effects were associated with increased antitumor efficacy and survival as compared with PI103 and PI828. Efficacy was further increased by decorating the nanoparticle surface with tumor-homing peptides. Notably, the use of SNPs abrogated the insulin resistance that has been associated widely with other PI3K inhibitors. This study provides a preclinical foundation for the use of supramolecular nanochemistry to overcome current challenges associated with PI3K inhibitors, offering a paradigm for extension to other molecularly targeted therapeutics being explored for cancer treatment. (C)2013 AACR.
}, issn = {0008-5472}, doi = {10.1158/0008-5472.CAN-12-4477}, author = {Kulkarni, Ashish A. and Roy, Bhaskar and Rao, Poornima S. and Wyant, Gregory A. and Mahmoud, Ayaat and Ramachandran, Madhumitha and Sengupta, Poulomi and Goldman, Aaron and Kotamraju, Venkata Ramana and Basu, Sudipta and Mashelkar, Raghunath Anant and Ruoslahti, Erkki and Dinulescu, Daniela M. and Sengupta, Shiladitya} } @article { ISI:000313513400048, title = {Surface chemistry and growth mechanism of highly oriented, single crystalline TiO2 nanorods on transparent conducting oxide coated glass substrates}, journal = {RSC Advances}, volume = {3}, number = {6}, year = {2013}, month = {NOV}, pages = {1933-1940}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The fabrication of one-dimensional (1D) rods or wires of titania in desired crystalline facets is quite exciting due to unique optoelectronic properties. The single crystalline, oriented nanorods directly grown on transparent conducting oxide (TCO) substrates are finding a lot of interest in solar photovoltaics and several other optoelectronic devices due to enhanced electron transport and lower exciton recombination rates. However, the growth of desired crystalline facets of highly oriented, single crystalline nanorods on different substrates and understanding the interplay between the surface chemistry and growth mechanism still remain a non-trivial and challenging task. Here, for the first time, the kinetically controlled growth of the (310) facet of TiO2 nanorods on fluorine-doped tin oxide (FTO) coated glass substrate has been reported which is in contrast to the previously reported (002) faceted TiO2 nanorods. In addition to this, the growth of (110) facet TiO2 nanorods using amorphous fluorine doped silicon oxide (FSO) as a substrate is also demonstrated. In this paper, it is shown that two different faceted TiO2 nanorods can be synthesized following same synthetic condition by varying only the material properties of the substrate. To investigate the role of substrate chemistry on the morphology and single crystallinity of TiO2 nanorods, electron microscopy, XPS and contact angle measurements have been done. The results clearly indicate an important link between the surface chemistry and morphology of TiO2 nanorods. It can be assumed that there is a role of OH- and water groups which are responsible for the growth of plane (110) which has less surface energy. The observation of (310) facet is quite surprising and can be explained based on FTO crystallinity. It is possible to tune the diameter of the titania nanorods by further coating the FTO substrate with a thin gold layer due to increase in the hydrophilicity of the substrate. Finally, a light to electricity conversion efficiency of 2.5\% could be achieved by using vertically grown titania nanorods on FTO as the photoanode in a dye sensitized solar cell (DSSC).
}, issn = {2046-2069}, doi = {10.1039/c2ra21516k}, author = {Sadhu, Subha and Jaiswal, Adhish and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000328443300015, title = {Surface induced collapse of A beta(1-42) with the F19A replacement following adsorption on a single walled carbon nanotube}, journal = {Biophysical Chemistry}, volume = {184}, year = {2013}, month = {DEC}, pages = {108-115}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Spontaneous adsorption of the A beta peptide on the surface of a single-walled carbon nanotube, resulting in the prevention of its intrinsic propensity to form collapsed states, could be a plausible means to hinder the peptide{\textquoteright}s initial nucleation and self-assembly. We report here the effects of sharply reducing both aromatic and hydrophobic character within the peptide{\textquoteright}s central hydrophobic core on its free and surface behavior. In such an altered peptide, complete surface adsorption is found to induce, rather than prevent, the adsorbed peptide{\textquoteright}s collapse. The weakened surface interactions of the central hydrophobic core allow its greater translational mobility on the surface, thereby facilitating interactions that lead to compaction. Both the adsorption and the subsequent collapse are accompanied by a loss of surface hydration in the modified peptide. We further find that such a two-step dewetting leads to hydration levels comparable to that obtained after compaction of the free peptide. These insights may be leveraged for designing molecular surfaces for disrupting intrinsic A beta behavior. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Adsorption, Amyloid beta peptide, carbon nanotube, Lateral mobility, molecular dynamics simulation, Surface induced collapse}, issn = {0301-4622}, doi = {10.1016/j.bpc.2013.09.008}, author = {Jana, Asis K. and Sengupta, Neelanjana} } @article { ISI:000326056600079, title = {Surfactant-free synthesis of anisotropic gold nanostructures: can dicarboxylic acids alone act as shape directing agents?}, journal = {RSC Advances}, volume = {3}, number = {44}, year = {2013}, month = {AUG}, pages = {21641-21647}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The present study describes the synthesis of gold nanostructures using different dicarboxylic (viz. oxalic, malonic, succinic, glutaric and adipic) acids as reducing agents in the absence of any other additives or surfactants. Various anisotropic structures such as kites, tadpoles, triangular/hexagonal plates, and twinned particles were seen to evolve depending on the molar ratio of dicarboxylic acid to HAuCl4 used. It was also demonstrated that gold nanostructure formation is hampered as the chain length/distance between two carboxylic acid groups increases. Among the various structures obtained the kite like structures displayed the largest surface enhanced Raman enhancement factors.
}, issn = {2046-2069}, doi = {10.1039/c3ra43974g}, author = {Kumar, D. V. Ravi and Kumavat, S. R. and Chamundeswari, V. N. and Patra, Partha Pratim and Kulkarni, A. A. and Bhagavatula L. V. Prasad} } @article { ISI:000326360300001, title = {Sustainable materials based on aliphatic polyesters: teaching old chemistry some new tricks}, journal = {Current Science}, volume = {105}, number = {7}, year = {2013}, month = {OCT}, pages = {879-880}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Sivaram, S.} } @article { ISI:000318332300017, title = {Suzuki-Miyaura cross-coupling reaction between aryl halides and phenylboronic acids over gold nano-particles supported on MgO (or CaO) and other metal oxides}, journal = {Journal of Catalysis}, volume = {301}, year = {2013}, month = {MAY}, pages = {134-140}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Gold nano-particles-supported alkaline earth metal oxides, particularly MgO or CaO, show high catalytic activity in the Suzuki-Miyaura cross-coupling reaction in the presence of K2CO3 and DMF (as a solvent). The catalytic activity is strongly influenced by the nature or type of metal oxide support (viz, alkaline earth oxide, Group IIIA metal oxide, transition metal oxide, or rare earth oxide actinide oxide). It is also strongly influenced by the nature of aryl halide (aryl iodide, bromide, chloride, or fluoride), amount of K2CO3 in the reaction mixture and catalyst calcination temperature. Influence of reaction parameters viz, temperature and time and different substituents in aryl halides and/or phenylboronic acids on the biphenyl product yield in the reaction over Au/MgO catalyst has also been investigated. The catalyst showed excellent reusability in the reaction. Moreover, it is ligand-free and also has much lower cost than the commonly used homogeneous and heterogeneous Pd catalysts. (C) 2013 Elsevier Inc. All rights reserved.
}, keywords = {Aryl halides, Au/MgO (or CaO) catalyst, Biphenyls, Gold nano-particles, phenylboronic acids, Suzuki-Miyaura coupling reaction}, issn = {0021-9517}, doi = {10.1016/j.jcat.2013.01.012}, author = {Dumbre, Deepa K. and Yadav, P. N. and Bhargava, Suresh Kumar and Choudhary, Vasant R.} } @article { ISI:000326010300003, title = {Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {41}, year = {2013}, month = {NOV}, pages = {7072-7075}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This communication describes the folding propensity of a hetero-foldamer motif featuring proline (Pro) and anthranilic acid (Ant) residues in a 1:2:1 (alpha: beta: alpha) constitutional ratio. Structural investigations unequivocally suggest that the hydrogen-bonding network of this foldamer motif can be switched between 9-membered and 6-membered by modulating the backbone chirality and constitutional ratio of the amino acid residues.
}, issn = {1477-0520}, doi = {10.1039/c3ob41369a}, author = {Ramesh, Veera V. E. and Vijayadas, Kuruppanthara N. and Dhokale, Snehal A. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000328177300017, title = {Synergetic effect of combination of AOP{\textquoteright}s (hydrodynamic cavitation and H2O2) on the degradation of neonicotinoid class of insecticide}, journal = {Journal of Hazardous Materials}, volume = {261}, year = {2013}, month = {OCT}, pages = {139-147}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In the present work, degradation of imidacloprid (neonicotinoid class of insecticide) in aqueous solution has been systematically investigated using hydrodynamic cavitation and combination of hydrodynamic cavitation (HC) and H2O2. Initially, effect of different operating parameters such as inlet pressure to the cavitating device (5-20 bar) and operating pH (2-7.5) has been investigated. Optimization of process parameters was followed by the study of effect of combination of HC and H2O2 process on the rate of degradation of imidacloprid. Significant enhancement in the rate of degradation of imidacloprid has been observed using HC+H2O2 process which lead to a complete degradation of imidacloprid in 45 min of operation using optimal molar ratio of imidacloprid:H2O2 as 1:40. Substantial synergetic effect has been observed using HC+H2O2 process which confer the synergetic coefficient of 22.79. An attempt has been made to investigate and compare the energy efficiency and extent of mineralization of individual and combined processes applied in the present work. Identification of the byproducts formed during degradation of imidacloprid has also been done using LC-MS analysis. The present work has established a fact that hydrodynamic cavitation in combination with H2O2 can be effectively used for degradation of imidacloprid. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Advanced oxidation processes, Hydrodynamic cavitation, Imidacloprid, Synergetic coefficient, Venturi}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2013.07.012}, author = {Raut-Jadhav, Sunita and Saharan, Virendra Kumar and Pinjari, Dipak and Sonawane, Shirish and Saini, Daulat and Pandit, Aniruddha} } @article { ISI:000314475700026, title = {Synergistic action of flavin containing NADH dependant azoreductase and cytochrome P450 monooxygenase in azoaromatic mineralization}, journal = {RSC Advances}, volume = {3}, number = {9}, year = {2013}, month = {DEC}, pages = {3062-3070}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An alkaliphilic strain Bacillus lentus Bl377 was isolated from contaminated soil of the textile area of Solapur, India. The strain was able to degrade almost 98\% of recalcitrant azoic compounds by a mutually regulated process of azoreductase and a monooxygenase system. An enzyme activity study and a periodical carbon monoxide (CO) binding spectra study on a UV-visible spectrophotometer revealed that the intermediate amines formed by typical azoreduction (N=N cleavage), subsequently underwent hydroxylation by the cytochrome P450 monooxygenase (CYP450) system. Azoreductase was purified by chromatographic techniques and characterization by MALDI-TOF substantiated its identity as FMN containing NADH dependent azoreductase of 32 kDa in size. Surprisingly, purified azoreductase showed the highest activity at 80 degrees C and pH 8.0. An increase in the activity of superoxide dismutase after decolorization confirmed the signature of oxidative stress and its involvement in the dismutation of reactive metabolites. Intermediate metabolite analysis by HPLC, GC-MS and FTIR and the removal of total organic carbon (TOC) suggested the azoaromatics{\textquoteright} degradation leads to mineralization via a TCA cycle.
}, issn = {2046-2069}, doi = {10.1039/c2ra21389c}, author = {Oturkar, Chetan C. and Othman, Munif A. and Kulkarni, Mahesh J. and Madamwar, Datta and Gawai, Kachru R.} } @article { ISI:000317285200007, title = {Synergistic mechanical response of Nylon 6/Trogamid (R) T blends}, journal = {Journal of Applied Polymer Science}, volume = {129}, number = {1}, year = {2013}, month = {JUL}, pages = {65-72}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Blends of semicrystalline Nylon 6 with a varying ratios of amorphous Nylon are studied for their morphological, thermal, dielectric, and mechanical behavior. Thermal analysis indicated a compositional dependant decrease in the melting and crystallization temperatures of Nylon 6. The blends exhibited a single compositional dependant glass transition temperature in dynamic mechanical thermal analysis and dielectrical relaxation spectroscopy over entire mixing ratio indicating miscibility between the blend components. The values of flexural modulus and tensile modulus of the blends are found to increase without significant loss in the impact properties. The water absorption of the blends is also lower than the values calculated by rule of mixtures. The observed synergistic behavior of the mechanical properties of the blends is indicative of presence of strong interactions in the blends components. (c) 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
}, keywords = {blends, dielectric properties, mechanical properties, polyamides, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.38693}, author = {Ridhore, Amol and Jog, Jyoti Prakash} } @article { ISI:000320979500046, title = {Syntheses and determination of absolute configurations and biological activities of the enantiomers of the longtailed mealybug pheromone}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {12}, year = {2013}, month = {JUN}, pages = {6281-6284}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Preparation and assignment of absolute configurations to both enantiomers of the sex pheromone of the longtailed mealybug, an irregular monoterpenoid with extraordinary biological activity, has been completed. Comparison of the biological activities of both enantiomers and the racemate in field trials showed that the (S)-(+)-enantiomer was highly attractive to male mealybugs, strongly suggesting that female longtailed mealybugs produce this enantiomer. The (R)-(-)-enantiomer was benign, being neither attractive nor inhibitory.
}, issn = {0022-3263}, doi = {10.1021/jo400491n}, author = {Ramesh, Remya and Swaroop, Pandrangi Siva and Gonnade, Rajesh G. and Thirupath, Choppari and Waterworth, Rebeccah A. and Millar, Jocelyn G. and Reddy, D. Srinivasa} } @article { ISI:000329539200015, title = {Synthesis and antimicrobial activity of novel oxysterols from lanosterol}, journal = {Tetrahedron}, volume = {69}, number = {52}, year = {2013}, month = {DEC}, pages = {11155-11163}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Chemically diverse oxysterols and their synthetic manipulations were carried out from variety of Delta(8(9)_) lanosterol derivatives and evaluated for their in vitro antimicrobial activities. Most of the synthesized oxysterols exhibited significant antifungal activity against the tested strains. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Allylic oxidation, antibacterial activity, Antifungal activity, Dihydroxylation, Oxygenated steroids}, issn = {0040-4020}, doi = {10.1016/j.tet.2013.10.090}, author = {Shingate, Bapurao B. and Hazra, Braja G. and Salunke, Deepak B. and Pore, Vandana S. and Shirazi, Fazal and Deshpande, Mukund V.} } @article { ISI:000314693400052, title = {Synthesis and antitubercular activity of amino alcohol fused spirochromone conjugates}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {23}, number = {5}, year = {2013}, month = {MAR}, pages = {1416-1419}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A series of 21 new amino alcohol fused spirochromone conjugates have been synthesized, characterized with analytical data and evaluated their antimycobacterial activity against Mycobacterium tuberculosis (virulent strain H37Rv) in vitro. Some of the compounds exerted significant inhibition, in particular, compound 4f found to be the most potent derivative exhibiting MIC = 3.13 mu g/mL. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Amino alcohol, Antitubercular activity, Mycobacterium tuberculosis, Spirochromones}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2012.12.073}, author = {Mujahid, Mohammad and Gonnade, Rajesh G. and Yogeeswari, P. and Sriram, D. and Muthukrishnan, Murugan} } @article { ISI:000317596800004, title = {Synthesis and catalytic activity of monodisperse gold-mesoporous silica core-shell nanocatalysts}, journal = {Catalysis Science \& Technology}, volume = {3}, number = {5}, year = {2013}, month = {FEB}, pages = {1190-1193}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Core-shell nanostructures, where gold nanoparticles of sub 10 nm size are successfully encapsulated inside porous silica spheres, have been prepared. The detailed characterization of the catalyst shows a high surface area and good mesoporosity. The sinter resistance of the catalyst under repeated cycles of the CO oxidation reaction is observed.
}, issn = {2044-4753}, doi = {10.1039/c3cy20772b}, author = {Sekhar, A. C. Sunil and Meera, C. J. and Kottavarithottil Ziyad and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article { ISI:000319610100003, title = {Synthesis and characterization of poly(ether ether ketone)s and poly(ether ether ketone ketone) s containing pendant biphenyl and naphthyl groups}, journal = {High Performance Polymers}, volume = {25}, number = {3}, year = {2013}, month = {MAY}, pages = {260-267}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {
New poly(ether ether ketone)s (PEEKs) and poly(ether ether ketone ketone)s (PEEKKs) containing pendant biphenyl and naphthyl groups were synthesized by nucleophilic substitution reaction of each of the four bisphenols viz., 1-(4- biphenylyl)- 1,1- bis(4- hydroxyphenyl) ethane, 1-(4- biphenylyl)- 1,1- bis(3- methyl, 4- hydroxyphenyl) ethane, 4,4{\textquoteright}-[1-(2- naphthalenyl) ethylidene] bis-phenol and 4,4{\textquoteright}-[1-(2- naphthalenyl) ethylidene] bis-3-methylphenol with 4,4{\textquoteright}- difluorobenzophenone and 1,3- bis(4- fluorobenzoyl) benzene in a solvent mixture of N,N-dimethylacetamide and toluene in the presence of anhydrous potassium carbonate. Inherent viscosities and number-average molecular weights of polymers were in the range of 0.42-0.86 dl/g and 2.40-7.55 x 10(4), respectively. PEEKs and PEEKKs were amorphous in nature and were readily soluble in a wide range of organic solvents and could be cast into flexible and tough films from chloroform solution. Glass transition temperature of PEEKs and PEEKKs were in the range of 180 degrees C -200 degrees C. T-10 values of PEEKs and PEEKKs were in the range of 424 degrees C-512 degrees C in nitrogen atmosphere, indicating their good thermal stability.
}, keywords = {biphenyl, bisphenol, naphthyl, poly(ether ether ketone ketone)s, poly(ether ether ketone)s, Polycondensation, Thermal properties}, issn = {0954-0083}, doi = {10.1177/0954008312462731}, author = {Honkhambe, Pandurang N. and Dhamdhere, Neelam A. and Tawade, Bhausaheb V. and Salunkhe, Manikrao M. and Wadgaonkar, Prakash P.} } @article { ISI:000326056600042, title = {Synthesis and electrochemical performance of a single walled carbon nanohorn-Fe3O4 nanocomposite supercapacitor electrode}, journal = {RSC Advances}, volume = {3}, number = {44}, year = {2013}, month = {AUG}, pages = {21390-21393}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new Fe3O4-SWCNH nanocomposite was synthesized as an electrode material for supercapacitors. The nanocomposite exhibited a high specific capacitance of 377 F g(-1) and delivered a stable discharge capacitance at a current density of 1 A g(-1) over 1000 cycles between 0 and 1.2 V.
}, issn = {2046-2069}, doi = {10.1039/c3ra43079k}, author = {Deshmukh, Ashvini B. and Shelke, Manjusha V.} } @article { ISI:000323401200004, title = {Synthesis and fluorescence properties of a full set of extended RNA base analogues}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {52}, number = {8-9, SI}, year = {2013}, month = {AUG}, pages = {1004-1013}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
The synthesis and photophysical characterization of a complete set of fluorescent RNA base analogues derived by conjugating benzofuran moiety at the 5- and 8-positions of pyrimidine and purine bases, respectively, are described. Benzofuran-modified pyrimidine and purine ribonucleoside analogues exhibit Contrasting fluorescence properties. Pyrimidine analogues are moderately emissive with emission maximum in the visible region, and importantly, are highly sensitive to solvent polarity and Viscosity changes. On the other hand, purine analogues are highly emissive and are minimally affected by solvation. and viscosity effects. Thorough photophysical analysis reveals that the pyrimidine and purine ribonucleosides displaying distinct and-probe-like fluorescence properties could be useful in designing nucleic acid based biophysical tools to study nucleic acid structure and function.
}, keywords = {Environment sensitive probes, Fluorescence probes, Fluorescence spectroscopy, Nucleic acids, Ribonucleoside analogues}, issn = {0376-4710}, author = {Sabale, Pramod M. and Nuthanakanti, Ashok and Srivatsan, Seergazhi G.} } @article { ISI:000323468500032, title = {Synthesis and molecular structure of a zinc complex of the vitamin K-3 analogue phthiocol}, journal = {Journal of Molecular Structure}, volume = {1048}, year = {2013}, month = {SEP}, pages = {223-229}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The complex [Zn(phthiocol)(2)(H2O)(2)]; 1, where phthiocol is 2-hydroxy-3-methyl-1,4-naphthoquinone, has been synthesized and characterized by elemental analysis, FT-IR, H-1 NMR, UV-vis spectroscopy, thermogravimetric (TG) analysis, electrochemical and single crystal X-ray diffraction studies. The v(C=O) stretch shifts to lower frequencies upon complexation of phthiocol to Zn2+. H-1 NMR spectra show an upfield shift of the benzenoid ring protons in 1. There is a bathochromic shift of the LMCT band in the UV-vis spectra of 1. Single crystal X-ray structure of 1 show distorted octahedral geometry around Zn2+. Two phthiocol ligands are in plane with the metal, while water molecules are trans to this plane. Coordination of deprotonated phthiocol ligands is {\textquoteleft}trans, trans{\textquoteright} to Zn2+. Intra as well as intermolecular interactions are observed in 1. Molecules of 1 show three dimensional network through C-H center dot center dot center dot O and O-H center dot center dot center dot O interactions. Additional anodic peaks are observed in cyclic voltammogram of phthiocol ligand due to oxidation of reduced species formed during reduction. One-electron reduction of 1 is shown to be reversible and DFT studies define this redox event as ligand-centered. (c) 2013 Elsevier B.V. All rights reserved.
}, keywords = {hydrogen bonding, Naphthoquinone, Phthiocol, Trans coordination, Vitamin K-3, Zinc complex}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2013.05.057}, author = {Kathawate, Laxmi and Sproules, Stephen and Pawar, Omkar and Markad, Ganesh and Haram, Santosh K. and Puranik, Vedavati G. and Salunke-Gawali, Sunita} } @article { ISI:000321231700008, title = {Synthesis and properties of 2 {\textquoteleft}-O-[R- and S-(2-amino-3-methoxy)propyl] (R-AMP and S-AMP) nucleic acids}, journal = {Tetrahedron}, volume = {69}, number = {31}, year = {2013}, month = {AUG}, pages = {6404-6408}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Substitution at 2{\textquoteright}-position by either amino- or methoxy-pendant groups of the antisense oligonucleotides (AONs) is known to enhance their therapeutic value. A simple modification is described here in which we introduce both these groups in the form of enantiospecific tethers at 2{\textquoteright}-position. Practical synthesis of modified nucleosides using natural L-serine, en route to R-AMP- and S-AMP-AONs is presented. Such tethered ONs formed stable DNA:RNA duplexes and the stability was found to be marginally better than the methoxyethyl/methoxypropyl-substituted MOE/MOP-AONs. The stereochemistry of the tether effectively differentiated the hydrolytic cleavage of AONs and the R-AMP-AON was three times more stable than the S-AMP-AONs after 4 h. In comparison, the MOE- or MOP-AONs were almost completely digested by SVPD after 1 h. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Antisense therapeutics, MOE-AONs, Positively charged ON analogues}, issn = {0040-4020}, doi = {10.1016/j.tet.2013.05.104}, author = {Kotikam, Venubabu and Kumar, Vaijayanti A.} } @article { ISI:000319185100004, title = {Synthesis and self-assembly of amphiphilic homoglycopolypeptide}, journal = {Langmuir}, volume = {29}, number = {19}, year = {2013}, month = {MAY}, pages = {5659-5667}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The synthesis of the amphiphilic homoglycopolypeptide was carried out by a combination of NCA polymerization and click chemistry to yield a well-defined Polypeptide having an amphiphilic carbohydrate on its side chain. The amphiphilicity of the carbohydrate was achieved by incorporation of an alkyl chain, at the C-6 position of the carbohydrate thus also rendering the homoglycopolypeptide amphiphilic. The homoglycopolypeptide formed multimicellar aggregates in water above a critical concentration of 0.9 mu M due to phase separation. The multimicellar aggregates were characterized by DLS, TEM, and AFM. It is proposed that hydrophobic interactions of the aliphatic chains at the 6-position of the sugar moieties drives the assembly of these rod-like homoglycopolypeptide into large;spherical aggregates. These multimicellar aggregates encapsulate both hydrophilic as well as hydrophobic dye as was confirmed by confocal microscopy. finally, amphiphilic random polypeptides containing 10\% and 20\% alpha-D-mannose in addition to glucose containing a, hydrophobic alkyl chain at its 6 position were synthesized by our methodology, and these polymers Were also found to assemble into spherical nanostructures. The spherical assemblies Of amphiphilic random glycopolypeptides containing 10\% and 20\% mannose were found to be surface bioactive and were found, to interact with the lectin Con-A.
}, issn = {0743-7463}, doi = {10.1021/la400144t}, author = {Dhaware, Vinita and Shaikh, Ashif Y. and Kar, Mrityunjoy and Hotha, Srinivas and Sen Gupta, Sayam} } @article { ISI:000312946200007, title = {Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2 {\textquoteleft}-5 {\textquoteleft} linked oligonucleotides}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {5}, year = {2013}, month = {NOV}, pages = {746-757}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
2{\textquoteright}-endo locked or frozen (S-type)/3{\textquoteright}-endo locked or frozen (N-type) nucleoside analogues were synthesized. Conformational analysis based on (3)J(HH) and NOE measurements is presented which is further confirmed by X-ray crystal structural studies. 2{\textquoteright}-5{\textquoteright} isoDNA oligonucleotides (ON) were synthesized using these modified nucleoside analogues and UV-T-m studies of the resultant 2{\textquoteright}-5{\textquoteright} isoDNA : RNA duplexes reflect the site-and sequence-dependent effects and confirm that the S-type sugar conformations were preferred over the N-type sugar geometry in such duplexes.
}, issn = {1477-0520}, doi = {10.1039/c2ob26762d}, author = {Erande, Namrata D. and Gunjal, Anita D. and Fernandes, Moneesha and Gonnade, Rajesh G. and Kumar, Vaijayanti A.} } @article { ISI:000322938100026, title = {Synthesis and X-ray single crystal structure of a cadmium(II) acetophenone thiosemicarbazone complex and its use as a single-source precursor for the preparation of CdS nanocrystallites and thin films}, journal = {Polyhedron}, volume = {61}, year = {2013}, month = {SEP}, pages = {195-201}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
{A cadmium(II) acetophenone thiosemicarbazone complex has been prepared and characterized by elemental analysis, infrared and nuclear magnetic resonance (H-1 and C-13{H-1}) spectroscopic techniques. Its single crystal structure has also been determined. The compound is found to be monoclinic, space group C2/c, with a = 12.1020(3) angstrom
}, keywords = {CdS, Nanocrystallites, Single source precursor, Thin films, Thiosemicarbazone complex}, issn = {0277-5387}, doi = {10.1016/j.poly.2013.05.052}, author = {Palve, Anil M. and Joshi, Pranaya V. and Puranik, Vedavati G. and Garje, Shivram S.} } @article { ISI:000319721200044, title = {Synthesis of 3,5-Bis(acrylaldehyde) boron-dipyrromethene and application in detection of cysteine and homocysteine in living cells}, journal = {Journal Of Organic Chemistry}, volume = {78}, number = {10}, year = {2013}, month = {MAY}, pages = {5056-5060}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Synthesis, characterization, and spectral and electrochemical properties of 3,5-bis(acrylaldehyde) BODIPY are described. The compound exhibited higher selectivity toward cysteine/homocysteine than toward other amino acids and thiol-containing compounds as shown by absorption and emission titration experiments and by experiments in living cells.
}, issn = {0022-3263}, doi = {10.1021/jo4004597}, author = {Madhu, Sheri and Gonnade, Rajesh G. and Ravikanth, Mangalampalli} } @article { ISI:000321490900014, title = {Synthesis of a sex pheromone of the longtailed mealybug, pseudococcus longispinus}, journal = {Synthesis-Stuttgart}, volume = {45}, number = {12}, year = {2013}, month = {JUN}, pages = {1689-1692}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
The synthesis of a recently identified and highly active sex pheromone of the longtailed mealybug, Pseudococcus longispinus is reported. A concise synthetic route, use of the under explored Meyer-Schuster rearrangement, Claisen rearrangement, and ring-closing metathesis are the highlights of this work.
}, keywords = {Acylation, Metathesis, pheromones, rearrangement, Total synthesis}, issn = {0039-7881}, doi = {10.1055/s-0033-1338450}, author = {Kurhade, Suresh E. and Siddaiah, V. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000325763700047, title = {Synthesis of Ag-glyconanoparticles using C-glycosides, their lectin binding studies and antibacterial activity}, journal = {New Journal of Chemistry}, volume = {37}, number = {11}, year = {2013}, month = {AUG}, pages = {3716-3720}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Two 12-C-glycosyl dodecanoic acids, namely, 1-(alpha-D-mannopyranosyl)-12-dodecanoic acid and 1-(alpha-D-glucopyranosyl)-12-dodecanoic acid were synthesized. Their ability to act as reducing and capping agents for the synthesis of water re-dispersible silver nanoparticles is displayed. These Ag C-glycosyl nanoparticles were later utilized to investigate the carbohydrate-lectin interactions. Furthermore, the specificity of mannoside binding to the surface of the Gram negative bacterium Escherichia coli has been utilized to demonstrate the enhanced antibacterial activity of Ag-C-mannosyl nanoparticles towards this bacterium as compared to Ag-C-glycosyl nanoparticles.
}, issn = {1144-0546}, doi = {10.1039/c3nj00496a}, author = {Ramtenki, Vilas and Raju, D. and Mehta, Urmil J. and Ramana, C. V. and Bhagavatula L. V. Prasad} } @article { ISI:000315060600030, title = {Synthesis of all four nucleoside-based beta-amino acids as protected precursors for the synthesis of polyamide-DNA with alternating alpha-amino acid and nucleoside-beta-amino acids}, journal = {Tetrahedron}, volume = {69}, number = {3}, year = {2013}, month = {JAN}, pages = {1210-1216}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple approach is described for the synthesis of all four orthogonally protected nucleoside-beta-amino acids from commercially available starting materials. Synthesis of a model tetrameric DNA sequence in 5{\textquoteright}-3{\textquoteright}direction employing trityl strategy and glycine as alpha-amino acid alternating with nucleoside-beta amino acids is described. (C) 2012 Elsevier Ltd. All rights reserved.
}, keywords = {Antisense therapeutics, Neutral DNA analogues, Nucleoside-beta amino acids}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.11.028}, author = {Seema Bagmare and Varada, Manojkumar and Banerjee, Anjan and Kumar, Vaijayanti A.} } @article {42807, title = {Synthesis of C(27){\textendash}C(38) fragment of aflastatin A}, journal = {Tetrahedron}, volume = {69}, year = {2013}, month = {JAN}, pages = {1830{\textendash}1840}, abstract = {
Efforts at finding out a strategy for the synthesis of the densely hydroxylated C(27){\textendash}C(48) fragment of aflastatin A have been described. The initial studies dealing with alkyne{\textendash}epoxide coupling using a linear polyol epoxide resulted in a debenzylative cycloetherification leading to a C-arabinoside derivative. This problem has been addressed by applying an epoxide pendant on a furanosyl unit. With the model alkyne, the epoxide{\textendash}alkyne coupling proceeded smoothly. Subsequently, following a sequence of [Pd]-mediated alkynone cycloisomerization/stereoselective hydroboration{\textendash}oxidation, the synthesis of the central C(27){\textendash}C(38) fragment has been executed. When employed, the original C(33){\textendash}C(48) alkyne, the coupling and the cycloisomerizations are facile. However, the resulting glycals are unstable, thus warranting a revision in our approach.
}, keywords = {Aflastatin; Epoxide{\textendash}alkyne coupling; ω-Alkynone cycloisomerization; Palladium catalysis; Hydroboration}, doi = {10.1016/j.tet.2012.12.065}, author = {Narute, Sachin B. and Ramana, C.V.} } @article { ISI:000326290300011, title = {Synthesis of C-disaccharides through a one-pot alkynol cycloisomerization-reductive deoxygenation}, journal = {Chemistry-A European Journal}, volume = {19}, number = {45}, year = {2013}, month = {NOV}, pages = {15109-15114}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {C-disaccharides, carbohydrates, Epoxide-alkyne coupling, Gold catalysis, Reductive deoxygenation}, issn = {0947-6539}, doi = {10.1002/chem.201302252}, author = {Narute, Sachin B. and Rout, Jeetendra Kumar and Ramana, Chepuri V.} } @article { ISI:000321858300002, title = {Synthesis of end-functionalized phosphate and phosphonate-polypeptides by ring-opening polymerization of their corresponding N-carboxyanhydride}, journal = {Polymer Chemistry}, volume = {4}, number = {15}, year = {2013}, month = {AUG}, pages = {4087-4091}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Phosphopolypeptides provide an interesting biomimetic analog for phosphorylated proteins that are involved in biomineralization. We have developed a high yielding synthesis of cysteine-based phosphate and phosphonate N-carboxyanhydride (NCA) by using the thiol-ene coupling reaction. These phosphate and phosphonate NCA monomers underwent polymerization using simple primary amine initiators to form well defined homophosphopolypeptides. Using a bifunctional initiator we were able to install a {\textquoteleft}{\textquoteleft}clickable{\textquoteright}{\textquoteright} alkyne or azide group at the end of the polypeptide chain. We were also able to successfully synthesize fully water-soluble phosphonate based polypeptides by hydrolysis of the corresponding phosphonate ester groups in the polypeptide. These water-soluble phosphopolypeptides adopt a random coil conformation at physiological pH.
}, issn = {1759-9954}, doi = {10.1039/c3py00409k}, author = {Das, Soumen and Kar, Mrityunjoy and Sen Gupta, Sayam} } @article { ISI:000325006600012, title = {Synthesis of indolizidine, pyrrolizidine and quinolizidine ring systems by proline-catalyzed sequential alpha-amination and HWE olefination of an aldehyde}, journal = {RSC Advances}, volume = {3}, number = {40}, year = {2013}, month = {AUG}, pages = {18288-18291}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A general procedure for the synthesis of azabicyclic ring systems viz. indolizidine, pyrrolizidine and quinolizidine has been developed utilizing proline-catalyzed sequential alpha-amination and Horner-Wadsworth-Emmons (HWE) olefination of an aldehyde as the key step. This method can be further extended to the synthesis of various biologically active natural products containing azabicyclic ring systems.
}, issn = {2046-2069}, doi = {10.1039/c3ra42001a}, author = {Kauloorkar, Shruti Vandana and Jha, Vishwajeet and Kumar, Pradeep} } @article { ISI:000316024500022, title = {Synthesis of low coercive BaFe12O19 hexaferrite for microwave applications in low-temperature cofired ceramic}, journal = {Journal of Electronic Materials}, volume = {42}, number = {4}, year = {2013}, month = {APR}, pages = {761-768}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Polycrystalline M-type barium hexaferrite (BaFe12O19) samples have been synthesized by solution combustion route at different pH and calcination conditions in order to reduce the coercivity for microwave applications in low-temperature cofired ceramic (LTCC) substrates. Structural, morphological, and magnetic properties of BaFe12O19 were studied by x-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), Raman spectroscopy, vibrating sample magnetometry (VSM), and Mossbauer spectroscopy. The formation of a single-phase hexagonal structure was confirmed by XRD. The Raman spectra reveal all characteristic peaks of BaFe12O19, illustrating the phase purity and crystal lattice symmetry of the synthesized material. Mossbauer spectra illustrate the existence of Fe3+ cations at all five crystallographic lattice sites. The microstructural features observed by FESEM disclose the growth of nanoregime particles into hexagonal platelet particles after calcination at temperatures from 800A degrees C to 1200A degrees C. The VSM results show a lower coercivity (1350 Oe to 3500 Oe) together with reasonably high saturation magnetization (55 emu/g to 60 emu/g) and a high bulk resistivity (\> 10(9) Omega-cm) at room temperature. The dependence of magnetic and electrical properties on the preparation and processing conditions is also discussed.
}, keywords = {Barium hexaferrite, coercivity, LTCC, Mossbauer spectroscopy, Raman spectroscopy}, issn = {0361-5235}, doi = {10.1007/s11664-012-2398-6}, author = {Rane, Vivek A. and Meena, Sher Singh and Gokhale, Suresh P. and Yusuf, S. M. and Phatak, Girish J. and Date, Sadgopal K.} } @article { ISI:000316693100020, title = {Synthesis of palmyrolide A and its cis-isomer and mechanistic insight into trans-cis isomerisation of the enamide macrocycle}, journal = {Chemical Communications}, volume = {49}, number = {32}, year = {2013}, month = {MAR}, pages = {3342-3344}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Concise and protecting-group free synthesis of ent-palmyrolide A and (-)-cis-palmyrolide A were achieved starting from commercially available (S)-citronellal. The key fragment of palmyrolide A, {\textquoteleft}{\textquoteleft}(5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide{\textquoteright}{\textquoteright}, which makes up the most challenging part of the target molecule, was prepared in just three steps. A plausible mechanism for the trans-cis isomerization of the double bond in the macrocycle has been investigated.
}, issn = {1359-7345}, doi = {10.1039/c3cc40541a}, author = {Philkhana, Satish Chandra and Seetharamsingh, B. and Dangat, Yuvraj B. and Vanka, Kumar and Reddy, D. Srinivasa} } @article { ISI:000320709000004, title = {Synthesis of pseudo-indoxyl derivatives via sequential Cu-catalyzed SNAr and Smalley cyclization}, journal = {Chemical Communications}, volume = {49}, number = {57}, year = {2013}, month = {APR}, pages = {6376-6378}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
ortho-Bromophenyl sec-alkyl/sec-alkenyl ketones, on reaction with sodium azide in the presence of copper salts, undergo sequential SNAr followed by Smalley cyclization to provide pseudo-indoxyl derivatives. Some of these pseudo-indoxyl derivatives exhibit interesting fluorescent properties and broad Stokes shifts.
}, issn = {1359-7345}, doi = {10.1039/c3cc41348a}, author = {Goriya, Yogesh and Ramana, Chepuri V.} } @article { ISI:000317151900024, title = {Synthesis of triangular gold nanoplates: role of bromide ion and temperature}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {422}, year = {2013}, month = {APR}, pages = {181-190}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Synthesis of noble metal triangular nanoplates is a kinetically controlled process in which temperature and packing defects play a major role. Nucleation and growth process of kinetically controlled reaction can be greatly influenced by temperature affecting the yield and edge length of the triangles. Through a conventional batch mode process, here we study the effect of temperature on nucleation and growth of gold triangular nanoplates and obtain some insight of the temperature effects on the final yield and edge length of triangles. The role of Br- ions in the synthesis of triangular nanoplates is studied by varying the amount of CAB and by replacing the CTAB with HBr. The results show that, while CTAB controls the edge length and yield of triangles, its use is not mandatory to attain plate like morphology. Finally we show that, while the initial temperature of the reaction mixture governs the nucleation rate and the rate of temperature rise governs the growth rate of particles, they along with the concentration of Br- ions control the edge length and yield. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Au nanotriangles, Halide ion effect, heat transfer, Kinetically controlled, Nature of gold precursor complex, Nucleation and growth, Optical properties}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2013.01.044}, author = {Kumar, D. V. Ravi and Kulkarni, Amol A. and Bhagavatula L. V. Prasad} } @article {42488, title = {Synthesis, steady-state, and femtosecond transient absorption studies of resorcinol bound ruthenium(ii)- and osmium(ii)-polypyridyl complexes on nano-TiO2 surface in water}, journal = {Inorganic Chemistry}, volume = {52}, year = {2013}, month = {APR}, pages = {5366{\textendash}5377}, abstract = {
The synthesis of two new ruthenium(II)- and osmium(II)-polypyridyl complexes 3 and 4, respectively, with resorcinol as the enediol anchoring moiety, is described. Steady-state photochemical and electrochemical studies of the two sensitizer dyes confirm strong binding of the dyes to TiO2 in water. Femtosecond transient absorption studies have been carried out on the dye{\textendash}TiO2 systems in water to reveal \<120 fs and 1.5 ps electron injection times along with 30\% slower back electron transfer time for the ruthenium complex 3. However, the corresponding osmium complex 4 shows strikingly different behavior for which only a \<120 fs ultrafast injection is observed. Most remarkably, the back electron transfer is faster as compared to the corresponding catechol analogue of the dye. The origin and the consequences of such profound effects on the ultrafast interfacial dynamics are discussed. This Article on the electron transfer dynamics of the aforesaid systems reinforces the possibility of resorcinol being explored and developed as an extremely efficient binding moiety for use in dye-sensitized solar cells.
}, doi = {10.1021/ic4003548}, author = {Banerjee, Tanmay and Kaniyankandy, Sreejith and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000317094300015, title = {Synthesis, structure, and H-2/CO2 adsorption in a three-dimensional 4-connected triorganotin coordination polymer with a sqc topology}, journal = {Inorganic Chemistry}, volume = {52}, number = {7}, year = {2013}, month = {APR}, pages = {3579-3581}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A 4-connected triorganotin 3D coordination polymer in a sqc topology has been shown to possess 1D microchannels along its crystallographic a axis. This main-group-element-containing framework structure shows selective gas adsorption, preferring CO2 and H-2 over N-2.
}, issn = {0020-1669}, doi = {10.1021/ic302528b}, author = {Chandrasekhar, Vadapalli and Mohapatra, Chandrajeet and Banerjee, Rahul and Mallick, Arijit} } @article {42704, title = {Synthesis, structures, and dearomatization by deprotonation of iron complexes featuring bipyridine-based PNN pincer ligands}, journal = {Inorganic Chemistry}, volume = {52}, year = {2013}, month = {JUL}, pages = {9636{\textendash}9649}, abstract = {
The synthesis and characterization of new iron pincer complexes bearing bipyridine-based PNN ligands is reported. Three phosphine-substituted pincer ligands, namely, the known tBu-PNN (6-((di-tert-butylphosphino)methyl)-2,2'-bipyridine) and the two new iPr-PNN (6-((di-iso-propylphosphino)methyl)-2,2'-bipyridine) and Ph-PNN (6-((diphenylphosphino)methyl)-2,2'-bipyridine) ligands were synthesized and studied in ligation reactions with iron(II) chloride and bromide. These reactions lead to the formation of two types of complexes: mono-chelated neutral complexes of the type [(R-PNN)Fe(X)2] and bis-chelated dicationic complexes of the type [(R-PNN)2Fe]2+. The complexes [(R-PNN)Fe(X)2] (1: R = tBu, X = Cl, 2: R = tBu, X = Br, 3: R = iPr, X = Cl, and 4: R = iPr, X = Br) are readily prepared from reactions of FeX2 with the free R-PNN ligand in a 1:1 ratio. Magnetic susceptibility measurements show that these complexes have a high-spin ground state (S = 2) at room temperature. Employing a 2-fold or higher excess of iPr-PNN, diamagnetic hexacoordinated dicationic complexes of the type [(iPr-PNN)2Fe](X)2 (5: X = Cl, and 6: X = Br) are formed. The reactions of Ph-PNN with FeX2 in a 1:1 ratio lead to similar complexes of the type [(Ph-PNN)2Fe](FeX4) (7: X = Cl, and 8: X = Br). Single crystal X-ray studies of 1, 2, 4, 6, and 8 do not indicate electron transfer from the FeII centers to the neutral bipyridine unit based on the determined bond lengths. Density functional theory (DFT) calculations were performed to compare the relative energies of the mono- and bis-chelated complexes. The doubly deprotonated complexes [(R-PNN*)2Fe] (9: R = iPr, and 10: R = Ph) were synthesized by reactions of the dicationic complexes 6 and 8 with KOtBu. The dearomatized nature of the central pyridine of the pincer ligand was established by X-ray diffraction analysis of single crystals of 10. Reactivity studies show that 9 and 10 have a slightly different behavior in protonation reactions.
}, doi = {10.1021/ic401432m}, author = {Zell, Thomas and Langer, Robert and Iron, Mark A. and Konstantinovski, Leonid and Shimon, Linda J. W. and Diskin-Posner, Yael and Leitus, Gregory and Balaraman, Ekambaram and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000323019400017, title = {Synthetic zipper peptide motif orchestrated via co-operative interplay of hydrogen bonding, aromatic stacking, and backbone chirality}, journal = {Journal of the American Chemical Society}, volume = {135}, number = {31}, year = {2013}, month = {AUG}, pages = {11477-11480}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Here, we report on a new class of synthetic zipper peptide which assumes its three-dimensional zipper-like structure via a co-operative interplay of hydrogen bonding, aromatic stacking, and backbone chirality. Structural studies carried out in both solid- and solution-state confirmed the zipper-like structural architecture assumed by the synthetic peptide which makes use of unusually remote inter-residual hydrogen-bonding and aromatic stacking interactions to attain its shape. The effect of chirality modulation and the extent of noncovalent forces in the structure stabilization have also been comprehensively explored via single-crystal X-ray diffraction and solution-state NMR studies. The results highlight the utility of noncovalent forces in engineering complex synthetic molecules with intriguing structural architectures.
}, issn = {0002-7863}, doi = {10.1021/ja405455g}, author = {Nair, Roshna V. and Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Jagadeesh, Bharatam and Gonnade, Rajesh G. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000314488700006, title = {Systematic evaluation of a few proline derivatives as catalysts for a direct aldol reaction}, journal = {Tetrahedron-Asymmetry}, volume = {24}, number = {1}, year = {2013}, month = {JAN}, pages = {43-49}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A series of pyrrolidine derivatives were prepared and examined as catalysts for an aldol reaction. Structural variations in these molecules involved altering the sterics at the alpha-position, the position of the carbonyl group, and the acidities of the hydrogen bonding sites. The effect of these factors on catalytic activity and enantioselectivity was studied. The experimental results revealed that additional sterics at the alpha-position were detrimental. However, no correlation was found between the catalytic activity and N-H acidity. (C) 2012 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.11.018}, author = {Sutar, Revannath L. and Joshi, Navalkishore N.} } @article { ISI:000316095000011, title = {Target cum flexibility: simple access to benzofuran conjugated sugar and nucleoside derivatives}, journal = {Tetrahedron Letters}, volume = {54}, number = {14}, year = {2013}, month = {APR}, pages = {1824-1827}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The [Pd]-catalyzed domino process comprising of the coupling of alkynes and o-iodophenol and the subsequent cyclization leading to benzofurans has been successfully applied on the sugar and nucleoside derived alkynes. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Benzofuran, carbohydrates, cyclization, Nucleoside, Palladium}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.01.089}, author = {Kommagalla, Yadagiri and Srinivas, Kolluru and Ramana, C. V.} } @article { ISI:000326219500012, title = {Tetrazine templated method for the synthesis of ternary conjugates}, journal = {Chemical Communications}, volume = {49}, number = {92}, year = {2013}, month = {SEP}, pages = {10808-10810}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Conjugation is an important reaction that enables coupling of molecules. Many protocols exist for the synthesis of binary conjugates from two different molecules or for the polyvalent display of a singlemolecule. There aren{\textquoteright}tmanymethods for the synthesis of ternary conjugates. However, methods for ternary conjugation are important for understanding the interplay of interactions between three biomolecules (or any three molecules per se). A strategy for ternary bioconjugation using inverse electron demand Diels-Alder reaction with tetrazine is studied. Ternary conjugation was demonstrated by the reaction of a model glyco-peptide binary conjugate with a fluorescent tagged olefin.
}, issn = {1359-7345}, doi = {10.1039/c3cc46634e}, author = {Rao, Boddu Venkateswara and Dhokale, Snehal A. and Rajamohanan, Pattuparambil R. and Hotha, Srinivas} } @article { ISI:000318748300011, title = {Thermodynamic behavior of hydrophobically modified polyacrylamide containing random distribution of hydrophobes: experimental and theoretical investigations}, journal = {Polymer}, volume = {54}, number = {11}, year = {2013}, month = {MAY}, pages = {2676-2689}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Two series of Hydrophobically Modified Polyacrylamides (HMPAMs) were prepared by free radical copolymerization of trimethylsilylacrylamide with 3-pentadecylcyclohexylacrylamide (PDCAM) or dodecylacrylamide (DDAM) followed by removal of trimethylsilyl protecting groups. The solution properties of HMPAMs were studied in dilute aqueous solution by fluorescence spectroscopy, NMR and viscometry. The properties in aqueous solution of HMPAMs clearly displayed the formation of hydrophobic interactions between alkyl stickers. While dodecyl containing HMPAMs mainly showed a progressive collapse of the copolymer coil with the increasing fraction of hydrophobic moieties (weak intra-chain associations), pentadecylcyclohexyl groups containing HMPAMs exhibited a much lower solubility in water due to strong intra- and inter-chain associations. Experimental data were analyzed using the mean field theory developed by Semenov and Rubinstein (SR) for associating polymers. Using a set of realistic parameters, taking into account the solubility of the backbone, the fraction of stickers and the strength of hydrophobic attractions, we show that the SR model offers a quantitative description of the thermodynamic properties of HMPAMs in terms of individual and collective behavior of polymers chains; i.e. swelling and phase separation, respectively. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Associating polymer, Polyacrylamide, Self-assembling}, issn = {0032-3861}, doi = {10.1016/j.polymer.2013.03.039}, author = {Hourdet, Dominique and Ducouret, Guylaine and Varghese, Sony and Badiger, Manohar V. and Wadgaonkar, Prakash P.} } @article { ISI:000311822100011, title = {Thermodynamics and solvation dynamics of BIV TAR RNA-Tat peptide interaction}, journal = {Molecular Biosystems}, volume = {9}, number = {1}, year = {2013}, month = {OCT}, pages = {88-98}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The interaction of the trans-activation responsive (TAR) region of bovine immunodeficiency virus (BIV) RNA with the Tat peptide is known to play important role in viral replication. Despite being thoroughly studied through a structural point of view, the nature of binding between BIV TAR RNA and the BIV Tat peptide requires information related to its thermodynamics and the nature of hydration around the TAR-Tat complex. In this context, we carried out the thermodynamic study of binding of the Tat peptide to the BIV TAR RNA hairpin through different calorimetric and spectroscopic measurements. Fluorescence titration of 2-aminopurine tagged BIV TAR RNA with the Tat peptide gives their binding affinity. The isothermal titration calorimetric experiment reveals the enthalpy of binding between BIV TAR RNA and the Tat peptide to be largely exothermic with the value of -11.7 (SEM 0.2) kcal mol(-1). Solvation dynamics measurements of BIV TAR RNA having 2-AP located at the bulge region have been carried out in the absence and presence of the BIV Tat peptide using the time correlated single photon counting technique. The solvent cage around the Tat binding site of RNA appears to be more rigid in the presence of the Tat peptide as compared to the free RNA. The displacement of solvent and ions on RNA due to peptide binding influences the entropic contributions to the total binding energy.
}, issn = {1742-206X}, doi = {10.1039/c2mb25357g}, author = {Goel, Teena and Kumar, Santosh and Maiti, Souvik} } @article { ISI:000328336300003, title = {Thermoneutral design aspects of gasoline chemical looping reformer}, journal = {Fuel Cells}, volume = {13}, number = {6}, year = {2013}, month = {DEC}, pages = {971-986}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Chemical looping reforming (CLR) is a new technology for syngas generation. The theoretical process design aspects of syngas generation using CLR of isooctane (gasoline) are studied in this paper to assess its ability for fuel processor development for solid oxide fuel cells. The fuel processor operating conditions for maximum syngas generation at thermoneutral conditions are determined in this study using nickel oxide as oxygen carrier for different inputs of oxygen carrier within the temperature range of 600-1,000 degrees C at 1bar pressure. The thermoneutral temperatures for the dual reactor fuel processor were calculated using the hot product gas stream and exothermic CLR process enthalpy to completely balance the endothermic process requirements. The thermoneutral point of 879.5 degrees C (NiO input of 7moles) delivered maximum syngas (13.92moles) using lowest amount of air (26.13moles) in the process was found to be the most suitable thermoneutral temperature for the fuel processor operation. The novel fuel processor design can also be used for other fuels and oxygen carriers.
}, keywords = {Chemical Looping Reformer, Fuel Processor, Isooctane to Syngas, Oxygen Carrier, Thermoneutral Temperature}, issn = {1615-6846}, doi = {10.1002/fuce.201300023}, author = {Kale, G. R. and Kulkarni, B. D.} } @article { ISI:000335434600004, title = {Thermoresponsive and biodegradable dextran based microgels: synthesis and structural investigation}, journal = {Macromolecular Symposia}, volume = {329}, number = {1}, year = {2013}, note = {Polymer Networks Conference (PNG), WY, AUG 12-16, 2012}, month = {JUL}, pages = {27-34}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Nanostructured objects, often ranging from hundreds of nanometers to few microns, support a number of functions directly linked to their structural features. They are, or they will be, protagonists in biomedical applications where miniaturized activities are required. These include the interface with living systems as tissues and cells, where targeted release of drug molecules occurs, or molecular imaging methods monitoring the drug trafficking in specific cell districts. The potentials of such devices, far to be fully understood, will be assessed only when a close correlation of their functions with their structure will be established. In this contribution we present a dextran based microdevice responsive to temperature and biodegradable. Both thermoresponsivity and biodegradability are of relevance for the potential use as drug carrier and controlled release device. The temperature behaviour, overall structure and internal architectures have been addressed with different methods.
}, keywords = {Biomaterials, colloids, dynamic light scattering, hydrogels, p(NiPAAm)}, issn = {1022-1360}, doi = {10.1002/masy.201300009}, author = {Ghugare, Shivkumar V. and Chiessi, Ester and Sakai, Victoria Garcia and Telling, Mark T. F. and Wadgaonkar, Prakash P. and Paradossi, Gaio} } @article { ISI:000317859400005, title = {Thiolated graphene - a new platform for anchoring CdSe quantum dots for hybrid heterostructures}, journal = {Nanoscale}, volume = {5}, number = {9}, year = {2013}, month = {MAR}, pages = {3615-3619}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Effective organization of small CdSe quantum dots on graphene sheets has been achieved by a simple solution exchange with thiol terminated graphene prepared by diazonium salt chemistry. This generic methodology of CdSe QD attachment to any graphene surface has remarkable implications in designing hybrid heterostructures.
}, issn = {2040-3364}, doi = {10.1039/c3nr00363a}, author = {Debgupta, Joyashish and Pillai, Vijayamohanan K.} } @article { ISI:000323361600008, title = {Three-dimensional, mesoporous titanosilicates as catalysts for producing biodiesel and biolubricants}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {377}, year = {2013}, month = {OCT}, pages = {65-73}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The application of three-dimensional, mesoporous titanosilicates, Ti-SBA-12 and Ti-SBA-16, as reusable solid acid catalysts for producing biodiesel and biolubricants is reported for the first time. Biodiesel was prepared by esterification of oleic acid with monohydric methanol and biolubricants by esterification with polyhydric alcohols (glycerol, trimethylolpropane, neopentyl glycol and pentaerythritol). High catalytic activity of these catalysts is attributed to the presence of dispersed Lewis acidic Ti sites and mesoporosity in the structure. Biodiesel yields as high as 90 mol\% were obtained at 443 K. Surface hydrophobicity of the catalyst has also a predominant role, especially, in reactions involving polyhydric alcohols. In those reactions, Ti-SBA-16 showed higher catalytic activity than Ti-SBA-12. (c) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Biodiesel, Esterification of fatty acid, Lubricant basestocks, mesoporous materials, Ti-SBA-12, Ti-SBA-16, Titanosilicates}, issn = {1381-1169}, doi = {10.1016/j.molcata.2013.04.029}, author = {Kotwal, Mehejabeen and Kumar, Anuj and Darbha, Srinivas} } @article { ISI:000321573300021, title = {Total synthesis of umuravumbolide and hyptolide through silicon-tethered ring-closing metathesis}, journal = {European Journal of Organic Chemistry}, volume = {2013}, number = {21}, year = {2013}, month = {JUL}, pages = {4586-4593}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The total synthesis of umuravumbolide and hyptolide has been achieved in a efficient manner by using temporary silicon-tethered ring-closing metathesis and cross-coupling reactions as key steps. The stereogenic centres were generated by means of proline-catalysed -aminoxylation of aldehydes and Brown{\textquoteright}s asymmetric allylation method.
}, keywords = {lactones, Metathesis, Silanes, synthetic methods, Total synthesis, Wittig reactions}, issn = {1434-193X}, doi = {10.1002/ejoc.201300302}, author = {Chowdhury, Partha Sarathi and Kumar, Pradeep} } @article {42445, title = {Transition-metal-free multicomponent reactions involving arynes, N-heterocycles, and isatins}, journal = {Angewandte Chemie-International Edition}, volume = {52}, year = {2013}, month = {AUG}, pages = {10040{\textendash}10043}, abstract = {
Mix and match: With isoquinoline as the nucleophilic trigger, multicomponent reactions afforded spirooxazino isoquinoline derivatives, proceeding through 1,4-dipolar intermediates. The use of pyridine as a nucleophile furnished indolin-2-one derivatives, with the reaction likely proceeding through a pyridylidene intermediate.
}, doi = {10.1002/anie.201304278}, author = {Bhunia, Anup and Roy, Tony and Pachfule, Pradip and Rajamohanan, Pattuparambil R. and Biju, Akkattu T.} } @article { ISI:000322288600009, title = {T-regulatory cell-mediated immune tolerance as a potential immunotherapeutic strategy to facilitate graft survival}, journal = {Blood Transfusion}, volume = {11}, number = {3}, year = {2013}, month = {JUL}, pages = {357-363}, publisher = {SIMITI SERVIZI SRL}, address = {VIA DESIDERIO 21, MILAN, 20131, ITALY}, keywords = {organ transplantation, tolerance induction, tregs}, issn = {1723-2007}, doi = {10.2450/2013.0258-12}, author = {Khan, Mohammad A. and Moeez, Sana and Akhtar, Suhail} } @article { ISI:000319708300034, title = {Triazole-linked anthracenyl-appended calix[4]arene conjugate as receptor for Co(II): synthesis, spectroscopy, microscopy, and computational studies}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {8}, year = {2013}, month = {APR}, pages = {3570-3576}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new triazole-linked anthracenyl-appended calix[4]arene-1,3-diconjugate (L) has been synthesized and characterized, and its single crystal XRD structure has been established. Binding properties of L toward different biologically relevant metal ions have been studied by fluorescence and absorption spectroscopy in ethanol. L exhibits selective recognition of Co2+ and can detect down to a concentration of 55 ppb (0.92 mu M). The roles of the calix[4]arene platform as well as the preorganized binding core in L{\textquoteright}s selective recognition have been demonstrated by studying appropriate control molecules. The mode of binding of L with Co2+ has been modeled both by DFT and MD computational calculations. L and its Co2+ complex could be differentiated on the basis of the nanostructural features observed in AFM and TEM.
}, issn = {0022-3263}, doi = {10.1021/jo400038x}, author = {Mummidivarapu, V. V. Sreenivasu and Hinge, Vijaya Kumar and Tabbasum, Khatija and Gonnade, Rajesh G. and Rao, Chebrolu P.} } @article { ISI:000318393000043, title = {True water soluble palladium-catalyzed Heck reactions in aqueous-organic biphasic media}, journal = {Tetrahedron Letters}, volume = {54}, number = {21}, year = {2013}, month = {MAY}, pages = {2733-2736}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A stable water soluble palladium catalyst has been demonstrated for the Heck reaction in a biphasic medium (water-non-polar organic solvent). Biphasic Heck reactions reported till now generally employ a non-polar solvent along with an aqueous polar water miscible organic solvent as the second phase. The efficiency of the Pd complex of TOTPS [Trisodium salt of tri-(ortho-tolyl) phosphine tri sulfonate] for the vinylation of different aryl iodides and olefins is demonstrated. The advantages of a co-solvent for this biphasic system have also been shown. The catalyst has been recycled efficiently retaining the activity with negligible loss of catalyst and without leaching of the Pd. (c) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Aqueous biphasic catalysis, C-C coupling, Heck reaction, Water-soluble catalyst}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.03.067}, author = {Jagtap, Sangeeta Vijay and Deshpande, Raj Madhukar} } @article { ISI:000330613400003, title = {Two-phase flow boiling in small channels: a brief review}, journal = {Sadhana-Academy Proceedings in Engineering Sciences}, volume = {38}, number = {6}, year = {2013}, month = {DEC}, pages = {1083-1126}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Boiling flows are encountered in a wide range of industrial applications such as boilers, core and steam generators in nuclear reactors, petroleum transportation, electronic cooling and various types of chemical reactors. Many of these applications involve boiling flows in conventional channels (channel size \>= 3 mm). The key design issues in two phase flow boiling are variation in flow regimes, occurrence of dry out condition, flow instabilities, and understanding of heat transfer coefficient and vapor quality. This paper briefly reviews published experimental and modeling work in these areas. An attempt is made to provide a perspective and to present available information on boiling in small channels in terms of channel size, flow regimes, heat transfer correlations, pressure drop, critical heat flux and film thickness. An attempt is also made to identify strengths and weaknesses of published approaches and computational models of boiling in small channels. The presented discussion and results will provide an update on the state-of-the-art and will be useful to identify and plan further research in this important area.
}, keywords = {Boiling, dry-out, heat transfer, instabilities, small channel, two-phase flow}, issn = {0256-2499}, author = {Sardeshpande, Madhavi V. and Ranade, Vivek V.} } @article {PACHFULE, title = {Two-stage fermentation process for enhanced mannitol production using Candida magnoliae mutant R9}, journal = {Bioprocess and Biosystems Engineering}, volume = {36}, number = {2}, year = {2013}, month = {FEB}, pages = {193-203}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Mutants of Candida magnoliae NCIM 3470 were generated by treatment of ultra-violet radiations, ethyl methyl sulphonate and N-methyl-N{\textquoteright}-nitro-N-nitrosoguanidine. Mutants with higher reductase activity were screened by means of 2,3,5-triphenyl tetrazolium chloride agar plate assay. Among the screened mutants, the mutant R9 produced maximum mannitol (i.e. 46 g l(-1)) in liquid fermentation medium containing 250 g l(-1) glucose and hence was selected for further experiments. Preliminary optimization studies were carried out on shake-flask level which increased the mannitol production to 60 g l(-1) in liquid fermentation medium containing 300 g l(-1) glucose. A two-stage fermentation process comprising of growth phase and production phase was employed. During the growth phase, glucose was supplemented and aerobic conditions were maintained. Thereafter, the production phase was initiated by supplementing fructose and switching to anaerobic conditions by discontinuing aeration and decreasing the speed of agitation. The strategy of two-stage fermentation significantly enhanced the production of mannitol up to 240 g l(-1), which is the highest among all fermentative production processes and corresponds to 81 \% yield and 4 g l(-1) h(-1) productivity without formation of any by-product.
}, keywords = {Candida magnoliae, D-Mannitol, Mutagenesis, Strain improvement, Two-stage fermentation}, issn = {1615-7591}, doi = {10.1007/s00449-012-0775-4}, author = {Savergave, Laxman S. and Gadre, Ramchandra V. and Vaidya, Bhalchandra K. and Jogdand, Vitthal V.} } @article { ISI:000325039100047, title = {Ultrasound promoted efficient and green protocol for the expeditious synthesis of 1, 4 disubstituted 1, 2, 3-triazoles using Cu(II) doped clay as catalyst}, journal = {Applied Clay Science}, volume = {80-81}, year = {2013}, month = {AUG}, pages = {351-357}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Cu(II) doped clay catalyst has been prepared by an easy technique from inexpensive starting materials and investigated for the one pot synthesis of 1, 4-disubstituted 1, 2, 3-triazoles via Huisgen [3 + 2] cycloaddition under ultrasonic irradiation at room temperature. The catalyst is highly active, selective, and stable and can be reused several times. The prepared catalyst has been characterized by XRD, BET-SA, H-2-TPR, SEM and XPS techniques. This transformation is fast, efficient and does not require nitrogen atmosphere or anoxic conditions and additive. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Catalyst support, Copper catalyst, Crystallization, selectivity, Sustainability}, issn = {0169-1317}, doi = {10.1016/j.clay.2013.06.030}, author = {Dar, Bashir Ahmad and Bhowmik, Amrita and Sharma, Amit and Sharma, Parduman R. and Lazar, Anish and Singh, A. P. and Sharma, Meena and Singh, Baldev} } @article { ISI:000325389000001, title = {Understanding the orientation of water molecules around the phosphate and attached functional groups in a phospholipid molecule: a DFT-based study}, journal = {Molecular Simulation}, volume = {39}, number = {12}, year = {2013}, month = {OCT}, pages = {937-955}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
The adsorption of water molecules around a polar region (in particular around the phosphate moiety) in the phospholipid molecules is studied in this work. Phospholipid molecules with different functional groups are known to respond differently to the water molecules. Hence, we attempt to study the adsorption of water molecules around the phosphate group as a consequence of the change of functional group attached to the phosphate group, viz. phosphatidyl ethanolamine (PE), phosphatidyl choline (PC) and phosphatidyl glycerol (PG). As the latter is anionic in nature, the charge is compensated by Na+ counterion. Up to seven water molecules are adsorbed around the phosphate groups in model systems mimicking phospholipid molecule. The corresponding changes in the structural and electronic aspects are analysed. The significant difference between the PE and PC model systems is the formation of clathrate-like structure in the latter. Itisnoticed that as the number of water molecules increases to seven, both the hydrogen atoms in the water molecule participate in hydrogen bonding. However, in the PG model system, the charge-compensating counterion prevents the water molecule to form clathrate-like structures. The adsorption sites for water molecules are validated by density functional theory-based reactivity descriptors, viz. Fukui functions in the PE model system.
}, keywords = {cHelpG, DMPC, DMPE, DMPG, Fukui functions, Hydration}, issn = {0892-7022}, doi = {10.1080/08927022.2013.783701}, author = {Mishra, Deepti and Das, Susanta and Krishnamurthy, Sailaja and Pal, Sourav} } @article { ISI:000330145400022, title = {Understanding the site selectivity in small-sized neutral and charged AI(n) (4 <= n <= 7) clusters using density functional theory based reactivity descriptors: a validation study on water molecule adsorption}, journal = {Journal of Physical Chemistry A}, volume = {117}, number = {36, SI}, year = {2013}, month = {SEP}, pages = {8691-8702}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Aluminum clusters are now technologically important due to their high catalytic activity. Our present study on the small-sized aluminum clusters applies density functional theory (DFT)-based reactivity descriptors to identify potential sites for adsorption and eventual chemical reaction. Depending on symmetry, susceptibility of various type of reactive sites within a cluster toward an impending electrophilic and/or nucleophilic attack is predicted using the reactivity descriptors. In addition, the study devises general rules as to how the size, shape, and charge of the cluster influences the number of available sites for an electrophilic and/or nucleophilic attack. The predictions by reactivity descriptors are validated by performing an explicit adsorption of water molecule on Al clusters with four atoms. The adsorption studies demonstrate that the most stable water-luster complex is obtained when the molecule is adsorbed through an oxygen atom on the site with the highest relative electrophilicity.
}, issn = {1089-5639}, doi = {10.1021/jp403109s}, author = {Das, Susanta and Pal, Sourav and Krishnamurty, Sailaja} } @article { ISI:000327418000001, title = {Unusual salting effects in ionic liquid solutions}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {52}, number = {11}, year = {2013}, month = {NOV}, pages = {1377-1382}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
Unusual salting effects of salting-out agents like LiCl and NaCl and salting-in agents like LiClO4 and NaClO4 in ionic liquid solutions are reported. It is observed that the salting behavior in water can be altered in the presence of ionic liquids. It is demonstrated that the salting-in agents in the presence of the ionic liquids with higher alkyl chain can display unusual fall and rise in the viscosity of the systems. On the other hand, no change in the behavior of the salting-out agents is noted in these ionic liquids. A tentative explanation is proposed for the observed viscosity data in these systems.
}, keywords = {Cationic ring, ionic liquids, Salting effects, viscosity}, issn = {0376-4710}, author = {Nanda, Raju and Kumar, Anil} } @article { ISI:000322293300006, title = {Use of amino acids for a highly efficient somatic embryogenesis in grapevine {\textquoteleft}Crimson Seedless{\textquoteright}}, journal = {Vitis}, volume = {52}, number = {3}, year = {2013}, month = {JAN}, pages = {137-140}, publisher = {JKI-INSTITUT REBENZUCHTUNG}, address = {GEILWEILERHOF, D-76833 SIEBELDINGEN, GERMANY}, abstract = {
Somatic embryogenesis influenced by growth regulators and amino acids was studied in in vitro leaves of grapevine {\textquoteleft}Crimson Seedless{\textquoteright}. In vitro leaves of the cultivar were collected from multiple shoot cultures maintained on Murashige and Skoog{\textquoteright}s (MS) basal medium supplemented with 9 mu M N-6-benzyladenine (BA). Among the growth regulators used, BA at 4.5 mu M induced higher embryogenic response producing more number of somatic embryos per explant. This response was increased with the addition of 5 mu M naphthoxyl-acetic acid (NOA) to 1/2 MS containing 4.5 mu M BA. Further, supplementation of amino acids in the callus induction medium significantly improved the embryogenic response of in vitro leaves. The higher number of explants showing somatic embryo production (55.3 \%) and higher number of somatic embryos per explant (15.5 per explant) were recorded with the supplementation of 5 mM phenylalanine to callus induction medium. Primary somatic embryos showed repetitive embryogenesis on \% MS medium devoid of growth regulators. Plantlets derived from somatic embryos were transferred to soil-sand-peat mixture (1:1:1 v/v) and hardened plantlets were established in greenhouse with 90 \% survival. This somatic embryogenesis system has been successfully used for Agrobacterium-mediated transformation studies in {\textquoteleft}Crimson Seedless{\textquoteright} in our laboratory. To our knowledge, this is the first report on the use of amino acids for the high efficient somatic embryogenesis in grapevine.
}, keywords = {Amino acids, somatic embryogenesis, Vitis vinifera L., {\textquoteleft}Crimson Seedless{\textquoteright}}, issn = {0042-7500}, author = {Nookaraju, A. and Agrawal, Dinesh C.} } @article { ISI:000326301000047, title = {Variable-temperature time-resolved emission spectra studies of random pyrene urethane methacrylate copolymers with high pyrene incorporation}, journal = {Journal of Physical Chemistry B}, volume = {117}, number = {39}, year = {2013}, month = {OCT}, pages = {11863-11876}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A series of random co-polyurethane methacrylate comb polymers with pyrene (Py) and 3-pentadecylphenol (PDP) as pendant units Were prepared by free radical polymerization. The pyrene labeling was varied from 1 to 100 mol \%. The excimer emission of these copolymers were studied as a function of both time and temperature using time-resolved emission spectra (TRES) experiments and variable-temperature steady-state fluorescence measurements. Variable-temperature steady-state as well as decay experiments showed that the contribution from excimers via diffusional encounters increased at the cost of pyrene monomer as the temperature increased until similar to 50 degrees C; beyond which nonradiative losses predominated. TRES collected at 25 and 70 degrees C were compared to study the nature and origin of emitting species as a function of pyrene loading. TRES at 25 degrees C dearly indicated the presence of ground state pyrene dimers with emission centered at similar to 435 nm which soon gave way to emission centered around 465 and 485 nm in the time gated spectra collected at higher time intervals. In TRES collected at 70 degrees C, excimer emission centered at 465 and 485 nm was very high even at short time scales. The lowest pyrene loaded polymer PIHPDP-1Py did not exhibit excimer emission in the TRES collected at 25 degrees C as well as 70 degrees C.
}, issn = {1520-6106}, doi = {10.1021/jp406885f}, author = {Kaushlendra, K. and Asha, S. K.} } @article { ISI:000314651800003, title = {Weak becomes strong: remarkable strength of C-H center dot center dot center dot pi hydrogen bond in the presence of O-H center dot center dot center dot O hydrogen bonds in the crystal stabilization}, journal = {CrystEngComm}, volume = {15}, number = {9}, year = {2013}, month = {JAN}, pages = {1676-1679}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report crystallographic evidence for the significance of C-H center dot center dot center dot pi hydrogen bonds in the crystal stabilization of 1,4-di-O-benzoyl-myo-inositol. The strength of this otherwise weak hydrogen bond matches with the strength of O-H center dot center dot center dot O hydrogen bonds.
}, issn = {1466-8033}, doi = {10.1039/c3ce26894b}, author = {Sureshan, Kana M. and Gonnade, Rajesh G.} } @article { ISI:000317032400005, title = {Why does water accelerate organic reactions under heterogeneous condition?}, journal = {Journal of Physical Chemistry A}, volume = {117}, number = {12}, year = {2013}, month = {MAR}, pages = {2446-2454}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An exhaustive kinetic analysis has been carried out to offer the convincing evidence of the involvement of the oil water interface in guiding {\textquoteleft}{\textquoteleft}on water organic reaction{\textquoteright}{\textquoteright} mechanism. We have tuned the interface to prove its indispensable efficacy to make on water reaction a unique type among water mediated organic reactions. Sensitive techniques have established the preferential salvation of polarizable ions at the water surface. The experimental methods have been developed to control the molecular structure of oil water interface in situ. Temperature-dependent analyses have also been presented to understand the enthalpic and entropic modifications of the interfacial water molecules during a heterogeneous reaction. Both of our kinetic and thermodynamic outcomes have univocally established that the hydrogen-bonding ability of the surface water molecules plays a critical role in deciding the on water organic reaction mechanism. The results have important implications on understanding the role of small water molecules adjacent to the reactants during the reactions discussed in this investigation.
}, issn = {1089-5639}, doi = {10.1021/jp4002934}, author = {Manna, Arpan and Kumar, Anil} } @article { ISI:000326939800010, title = {Xylitol production by cyberlindnera (Williopsis) saturnus, a tropical mangrove yeast from xylose and corn cob hydrolysate}, journal = {Journal of Applied Microbiology}, volume = {115}, number = {6}, year = {2013}, month = {DEC}, pages = {1357-1367}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
AimPotential for xylitol production from xylose and corn cob hydrolysate by a tropical mangrove yeast. Methods and ResultsIn the present study, 21 fungi were isolated from detritus-based mangrove wetlands along the Indian west coast. Of these, one yeast isolate had the ability to grow and assimilate xylose producing significant amounts of xylitol (3863gl(-1)). A maximum yield of 054gg(-1) was obtained after 144h of growth on xylose (150gl(-1)) and corn cob hydrolysate (CCH, containing 65gl(-1) xylose). Using biochemical and molecular methods, the yeast was identified as Cyberlindnera (Williopsis) saturnus. Preliminary characterization of enzymes in the cell-free extract revealed that while xylose reductase (XR) preferred NADPH to NADH as cofactor, xylitol dehydrogenase (XDH) was NAD specific. ConclusionsSignificant amounts of xylitol could be produced on CCH using C.saturnus isolated from tropical mangrove wetlands. The yeast has the potential to assimilate rather than ferment xylose as its XR has a preference for NADPH. Significance and Impact of the StudyMicrobes offer an economically viable and green approach for production of xylitol, an industrially important compound. A mangrove ecosystem with its battery of lignocellulolytic enzymes is an ideal location for isolating fungi capable of producing xylitol from agroindustrial waste such as CCH.
}, keywords = {corn cob hydrolysate, Cyberlindnera, mangrove, Williopsis, xylitol, Xylose, Yeast}, issn = {1364-5072}, doi = {10.1111/jam.12327}, author = {Kamat, S. and Gaikwad, S. and Kumar, A. Ravi and Gade, Wasudeo N.} } @article { ISI:000325849000034, title = {Zeolitic imidazolate framework (ZIF)-derived, hollow-core, nitrogen-doped carbon nanostructures for oxygen-reduction reactions in PEFCs}, journal = {Chemistry-A European Journal}, volume = {19}, number = {28}, year = {2013}, month = {JUL}, pages = {9335-9342}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The facile synthesis of a porous carbon material that is doped with iron-coordinated nitrogen active sites (FeNC-70) is demonstrated by following an inexpensive synthetic pathway with a zeolitic imidazolate framework (ZIF-70) as a template. To emphasize the possibility of tuning the porosity and surface area of the resulting carbon materials based on the structure of the parent ZIF, two other ZIFs, that is, ZIF-68 and ZIF-69, are also synthesized. The resulting active carbon material that is derived from ZIF-70, that is, FeNC-70, exhibits the highest BET surface area of 262m2g-1 compared to the active carbon materials that are derived from ZIF-68 and ZIF-69. The HR-TEM images of FeNC-70 show that the carbon particles have a bimodal structure that is composed of a spherical macroscopic pore (about 200nm) and a mesoporous shell. X-ray photoelectron spectroscopy (XPS) reveals the presence of Fe-N-C moieties, which are the primary active sites for the oxygen-reduction reaction (ORR). Quantitative estimation by using EDAX analysis reveals a nitrogen content of 14.5wt.\%, along with trace amounts of iron (0.1wt.\%), in the active FeNC-70 catalyst. This active porous carbon material, which is enriched with Fe-N-C moieties, reduces the oxygen molecule with an onset potential at 0.80V versus NHE through a pathway that involves 3.3-3.8e- under acidic conditions, which is much closer to the favored 4e- pathway for the ORR. The onset potential of FeNC-70 is significantly higher than those of its counterparts (FeNC-68 and FeNC-69) and of other reported systems. The FeNC-based systems also exhibit much-higher tolerance towards MeOH oxidation and electrochemical stability during an accelerated durability test (ADT). Electrochemical analysis and structural characterizations predict that the active sites for the ORR are most likely to be the insitu generated NFeN2+2/C moieties, which are distributed along the carbon framework.
}, keywords = {Doping, Electrochemistry, metal-organic frameworks, Nanostructures, oxygen-reduction reaction}, issn = {0947-6539}, doi = {10.1002/chem.201300145}, author = {Palaniselvam, Thangavelu and Biswal, Bishnu P. and Banerjee, Rahul and Kurungot, Sreekumar} } @article { ISI:000323018700017, title = {Zirconium phenyl phosphonate phosphite as a highly active, reusable, solid acid catalyst for producing fatty acid polyol esters}, journal = {Applied Catalysis A-General}, volume = {462}, year = {2013}, month = {JUL}, pages = {129-136}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The application of zirconium phenyl phosphonate phosphite (ZrPP) as a solid acid catalyst for producing polyol esters by esterification of glycerol or trimethylolpropane with a fatty acid (C-8-C-18.1) is reported for the first time. ZrPP exhibits high catalytic activity and in particular, (di + tri) esters selectivity (92.3 mol\%). These esters of polyols are known for their application as biolubricants. The catalyst prepared using phosphorous acid to phenyl phosphonic acid molar ratio of 3:1 was found superior. The influence of process parameters on activity and selectivity of the catalyst was investigated. ZrPP was reusable in at least three recycling experiments. Hydrophobicity due to exposed phenyl groups on the surface is the possible cause for superior esterification activity of this novel, solid catalyst. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Biolubricants, Esterification of fatty acid, Fatty acid glycerides, Hydrophobic solid acid catalyst, Polyol esters, Zirconium phenyl phosphonate phosphite}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.04.043}, author = {Varhadi, Poonam and Kotwal, Mehejabeen and Srinivas, D.} } @article { ISI:000338486300020, title = {1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU): a highly efficient catalyst in glycerol carbonate synthesis}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {391}, year = {2014}, month = {SEP}, pages = {144-149}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Transesterification of dimethyl carbonate (DMC) with glycerol (GLY) was investigated using various amines as catalysts. Amidines like 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) were found to be the best catalysts for this reaction. Best results: 98\% conversion of GLY with 96\% selectivity to GC (TON: 9408), were obtained with DBU as a catalyst. Effect of various reaction conditions on activity and selectivity were investigated using DBU as catalyst. The mechanism of the reaction was investigated with the help of H-1, C-13 and N-15 NMR analysis and OFT calculations. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {DBU, Glycerol, Glycerol carbonate, transesterification}, issn = {1381-1169}, doi = {10.1016/j.molcata.2014.04.016}, author = {Munshi, Mudassir K. and Gade, Swapna M. and Mane, Manoj V. and Mishra, Deepti and Pal, Sourav and Vanka, Kumar and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000336254200001, title = {2014 International year of crystallography celebration: India}, journal = {Crystengcomm}, volume = {16}, number = {22}, year = {2014}, month = {MAY}, pages = {4665-4666}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {1466-8033}, doi = {10.1039/c4ce90064b}, author = {Banerjee, Rahul} } @article { ISI:000337238300025, title = {2,4,6-Trichlorobenzoyl chloride (Yamaguchi Reagent)}, journal = {Synlett}, volume = {25}, number = {9}, year = {2014}, month = {JUN}, pages = {1335-1336}, publisher = {GEORG THIEME VERLAG KG}, type = {Editorial Material}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, issn = {0936-5214}, doi = {10.1055/s-0033-1341245}, author = {Kotammagari, Tharun Kumar} } @article { ISI:000338296300009, title = {2-Aroylindoles from o-bromochalcones via Cu(I)-catalyzed SNAr with an azide and intramolecular nitrene C-H insertion}, journal = {Chemical Communications}, volume = {50}, number = {58}, year = {2014}, month = {May}, pages = {7790-7792}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple procedure for the synthesis of 2-aroylindole derivatives comprising a one-pot CuI-catalyzed SNAr reaction of o-bromochalconeswith sodium azide and subsequent intramolecular cyclization through nitrene C-H insertion has been developed. This protocol is also applicablewith the 2{\textquoteright}-bromocinnamates giving the indole-2-carboxylates.
}, issn = {1359-7345}, doi = {10.1039/c4cc02501f}, author = {Goriya, Yogesh and Ramana, Chepuri V.} } @article { ISI:000331014900022, title = {3D flow reactors: flow, hydrodynamics, and performance}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {5}, year = {2014}, month = {FEB}, pages = {1916-1923}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A device comprised of a sequence of converging or diverging units aligned either in an axisymmetric or nonaxisymmetric manner can be used as a continuous flow reactor. Here we report the analysis of flow and hydrodynamics (pressure drop, residence time distribution, and mass transfer) for an axisymmetric geometry of a 3D flow reactor for single phase and two-phase flows. CFD simulations of the single phase flow have been used for identification of the precise geometrical configuration. The sequence of converging units as a flow reactor has been found to always be better than the sequence of diverging units. The residence time distribution analysis also favored the choice of converging flow as a better option. The performance of the device was verified by successfully carrying out a highly exothermic two-phase aromatic nitration of benzaldehyde (Delta H-r approximate to -172 kg/mol) with fuming nitric acid.
}, issn = {0888-5885}, doi = {10.1021/ie402311y}, author = {Sharma, Mrityunjay and Reddy, Venkateswara S. and Kulkarni, Amol A.} } @article { ISI:000331413700027, title = {3D micro-porous conducting carbon beehive by single step polymer carbonization for high performance supercapacitors: the magic of in situ porogen formation}, journal = {Energy \& Environmental Science}, volume = {7}, number = {2}, year = {2014}, month = {FEB}, pages = {728-735}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report non-templated synthesis of interconnected microporous carbon (IMPC) sheets having beehive morphology by direct pyrolysis of poly(acrylamide-co-acrylic acid) potassium salt in inert atmosphere without any activation. The presence of the alkali metal in the selected polymer precursor results in a high specific surface area of 1327 m(2) g(-1). Importantly, 80\% of the pore volume is contributed by micropores with pore size ranging from 1-2 nm which is ideal for use as an electrode for supercapacitors. Whereas the rest of the surface area was contributed by a small fraction of mesopores and macropores due to the interconnected structure. The presence of three different types of pores make the material ideal for supercapacitor electrodes. IMPC was tested as an electrode in both aqueous and non-aqueous supercapacitors. All the aqueous measurements were done in 1 M H2SO4 solution with a potential window 1 V. A specific capacitance of 258 F g(-1) was realized at a constant charge-discharge current of 0.5 A g(-1) and it maintained at a value of 150 F g(-1) at 30 A g(-1). A long cycle stability of 90\% capacitance retention was observed after 5000 charge-discharge cycles at a current density of 2 A g(-1). At the highest power density 13 600 W kg(-1) the energy density was found to be 3.1 W h kg(-1). Non aqueous performance was tested in the presence of 1 M LiPF6 in ethylene carbonate-di-methyl carbonate with 5 mg active material loading. A specific capacitance of 138 F g(-1) was obtained at a current density of 0.25 A g(-1) and it retained at a value of 100 F g-1 at 10 A g(-1). The material can deliver an energy density of 31 W h kg(-1) at its highest power density of 11 000 W kg(-1) in a two electrode system based on active material loading.
}, issn = {1754-5692}, doi = {10.1039/c3ee42551g}, author = {Puthusseri, Dhanya and Aravindan, Vanchiappan and Madhavi, Srinivasan and Ogale, Satishchandra} } @article { ISI:000336840900022, title = {9-Fluorenemethanol: an internal electron donor to fine tune olefin polymerization activity}, journal = {Dalton Transactions}, volume = {43}, number = {24}, year = {2014}, month = {MAR}, pages = {9143-9151}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new MgCl2 based molecular adduct has been synthesized with 9-fluorenemethanol (9FM) as a novel internal electron donor (IED), along with ethanol (EtOH) (MgCl2 center dot n9FM center dot xEtOH). The above molecular adduct has been subjected to a variety of structural, spectroscopic and morphological characterization techniques. The results of the solid state C-13 CPMAS NMR technique suggests the coordination of 9FM to MgCl2. Observation of a low angle diffraction peak at 2 theta = 5.7 degrees (d = 15.5 angstrom) underscores the coordination of 9FM along the z-axis, and ethanol in the molecular adduct. Active Ziegler-Natta catalysts were prepared by two different synthesis methods; the conventional method to obtain a high surface area active catalyst, and other one with 9FM as an integral part of the active catalyst in order to study the influence of 9FM as an IED over the active sites. The active catalysts were also characterized thoroughly with different analytical tools. The XRD results show (003) facets of delta-MgCl2 (alpha-MgCl2) for the conventional (non-conventional) titanated catalyst. Results of the ethylene polymerization activity study reveals that the conventionally prepared highly porous active catalyst shows 1.7-2.5 times higher activity than the non-conventional prepared catalyst; however, the latter shows a low molecular weight distribution and confirms the role of the Lewis base as an IED.
}, issn = {1477-9226}, doi = {10.1039/c4dt00793j}, author = {Gnanakumar, Edwin S. and Chokkapu, Eswara Rao and Kunjir, Shrikant and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Chakraborty, Debashis and Gopinath, Chinnakonda S.} } @article { ISI:000340500300065, title = {Access to harmonine, a chemical weapon of ladybird beetles}, journal = {RSC Advances}, volume = {4}, number = {58}, year = {2014}, month = {JUL}, pages = {30923-30926}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The synthesis of harmonine, a defense alkaloid from the harlequin ladybird is reported by three different routes. The preparation of several new analogs with the same molecular weight and the decoration of gold nanoparticles with harmonines are also part of the present communication.
}, issn = {2046-2069}, doi = {10.1039/c4ra05859c}, author = {Philkhana, Satish Chandra and Dhasaiyan, Prabhu and Bhagavatula L. V. Prasad and Reddy, D. Srinivasa} } @article { ISI:000345460800001, title = {Accounting of noise to solve the problem of negative populations in approximate accelerated stochastic simulations}, journal = {RSC Advances}, volume = {4}, number = {102}, year = {2014}, month = {OCT}, pages = {58127-58136}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The advent of different approximate accelerated stochastic simulation methods has helped considerably in reducing the computational load of the exact simulation algorithms. However, along with the reduction in the computational load comes the risk of driving the molecular numbers to the regime of negative numbers during the simulations. Over the years, various methods have been developed in order to solve the problem by using different strategies. Some methods have employed binomial numbers to model the reactions, while others have tried the partitioning of the reaction network. In this manuscript, we have proposed a new approach where the noise inherent in the choice of the number of firings of a given reaction during a time step is taken into account. This idea of noise accounting is used in conjunction with the accelerated stochastic method: the Representative Reaction Approach (RRA). It is found that the new method is successful at solving the problem of negative numbers, and compares very favorably with other state-of-the-art stochastic simulation methods.
}, issn = {2046-2069}, doi = {10.1039/c4ra05865h}, author = {Kadam, Shantanu and Vanka, Kumar} } @article { ISI:000344330800010, title = {Acid-base cooperative catalysis over mesoporous nitrogen-rich carbon}, journal = {ChemCatChem}, volume = {6}, number = {11}, year = {2014}, month = {NOV}, pages = {3091-3095}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
WOx nanoclusters (2-3 nm) embedded on a mesoporous nitrogen-rich carbon material were synthesized by using novel methodology. This material was very effectively capitalized as a new carbon-based acid-base cooperative catalyst for sequential acetal hydrolysis and Knoevenagel condensation reactions. The protocol was also explored for the nitroaldol condensation reaction.
}, keywords = {cooperative catalysts, Knoevenagel condensation, mesoporous materials, Nanostructures, nitro aldol reaction}, issn = {1867-3880}, doi = {10.1002/cctc.201402537}, author = {Goyal, Reena and Sarkar, Bipul and Lucas, Nishita and Bordoloi, Ankur} } @article {43369, title = {Acidic ionic liquids catalyzed depolymerization of lignin}, number = {PCT/IN2014/000320}, year = {2014}, month = {NOV}, abstract = {The present invention discloses a process for depolymerization of lignin to yield substituted phenolic monomers using Br{\"o}nsted ionic liquid as catalyst under mild reaction conditions to obtain an overall yield of monomers up to 97\%.}, author = {Dhepe, Paresh Laxmikant and Kelkar, Ashutosh Anant and Matsagar, Babasaheb Mansub and Singh, Sandip Kumar} } @article { ISI:000328955200029, title = {Activated nitrogen doped graphene shell towards electrochemical oxygen reduction reaction by its encapsulation on Au nanoparticle (Au@N-Gr) in water-in-oil {\textquoteleft}{\textquoteleft}nanoreactors{\textquoteright}{\textquoteright}}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {5}, year = {2014}, month = {NOV}, pages = {1383-1390}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Encapsulation of nitrogen doped graphene on Au nanoparticle (Au@N-Gr) could be accomplished through a water-in-oil emulsion technique, where the emulsion droplets act as {\textquoteleft}nanoreactors{\textquoteright} and the redox reaction inside the droplets results in the formation of core-shell nanoparticles. The encapsulation of N-Gr on a small quantity of Au (N-Gr : Au wt ratio of 90 : 10) made the N-Gr layer more conductive and active towards electrochemical oxygen reduction reaction (ORR). The enhanced conductivity helped the system narrow down the ohmic overpotential, and direct electronic interactions between the Au and Gr layers brought in a favourable positive shift to the onset potential for ORR. Encapsulation has helped N-Gr reduce the overpotential by similar to 121 mV as compared to N-Gr alone. Apart from this, the oxygen reduction kinetics of Au@N-Gr also appeared to be superior to N-Gr and Au nanoparticles as separate entities due to greater involvement of the preferred 4-electron reduction pathway. At -0.3 V (vs. Hg/HgO), the percentage of hydrogen peroxide (H2O2) (a product formed from the undesirable 2-electron reduction pathway) was found to be 16.5\% for Au@Gr, where Au was covered with undoped Gr, which gets reduced to a significantly low level of 6.5\% for Au@N-Gr. Au and N-Gr as separate entities give yield of H2O2 as 52.2 and 47.7\%, respectively. From these, it can be concluded that the coverage of N-Gr on Au helps decrease the yield of H2O2 drastically apart from the benefits of synergistic interactions in reducing both ohmic and activation overpotentials.
}, issn = {2050-7488}, doi = {10.1039/c3ta14005a}, author = {Dhavale, Vishal M. and Gaikwad, Sachin S. and Kurungot, Sreekumar} } @article {46384, title = {Acyl-transfer reactions in molecular crystals: reactivity correlation with crystal structure}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {APR}, pages = {C771}, type = {Meeting Abstract}, keywords = {crystal engineering, intermolecular interactions, solid-state reactions}, issn = {2053-2733}, author = {Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article {46399, title = {Additive induced capture of elusive polymorphs of conformationally flexible Sulfonamides/Sulfoesters}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C776}, type = {Meeting Abstract}, keywords = {additive induced polymorphism, intermolecular interactions, phase transition}, issn = {2053-2733}, author = {Shaikh, Samir Rashid and Gawade, Rupesh L. and Chakravarty, Debamitra K. and Puranik, Vedavati G. and Gonnade, Rajesh} } @article { ISI:000350032000042, title = {Advanced cell-based high-throughput screening assays targeting active and latent Mycobacterium tuberculosis}, journal = {Journal of Biotechnology}, volume = {185}, number = {S}, year = {2014}, note = {European Biotechnology Congress, Lecce, ITALY, MAY 15-18, 2014}, month = {SEP}, pages = {S18}, publisher = {ELSEVIER SCIENCE BV}, type = {Meeting Abstract}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2014.07.061}, author = {Shurpali, Ketaki Dilip and Singh, Upasana and Sarkar, Shamim Akhtar Sampa and Mishra, Abhishek and Kulkarni, Roshan and Joshi, Swati P. and Sarkar, Dhiman} } @article {46401, title = {Allostery mapping in enterococcus faecalis Bile Salt Hydrolase (BSH)}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C274}, type = {Meeting Abstract}, keywords = {Allostery, Bile salt hydrolase, MD Simulation}, issn = {2053-2733}, author = {Yadav, Yashpal and Ramasamy, Sureshkumar} } @article {43040, title = {All-solid-state-supercapacitor and a process for the fabrication thereof}, number = {PCT/IN2014/000233}, year = {2014}, month = {OCT}, abstract = {
The present invention discloses. all-solid-state supercapacitor (ASSP) with enhanced electrode-electrolyte interface which gives highest very high specific capacitance, areal capacitance and shows very low internal resistance (ESR). The invention particularly discloses the fabrication of all-solid-state supercapacitor by intercalation of solid state polymer electrolyte inside the conducting porous substrate coated with a charge storage electrode material to achieve the desired effect.
}, author = {Kurungot, Sreekumar and Badiger, Manohar V. and Anothumakkool, Bihag and Torris, Arun} } @article { ISI:000341405600003, title = {Ambient oxidation of benzene to phenol by photocatalysis on Au/Ti0.98V0.02O2: role of holes}, journal = {ACS Catalysis}, volume = {4}, number = {9}, year = {2014}, month = {SEP}, pages = {2844-2853}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A potential photocatalyst with 2 atom \% vanadium incorporated into the 1 lattice of disordered mesoporous titania, Ti0.98V0.02O2, (TV2) was synthesized. Au was deposited on TV2 (Au/TV2) through a photodeposition method. Structural, microscopy, and spectroscopy techniques support the incorporation of vanadium into the TiO2 lattice, and Au was deposited on the surfaces of TV2. Photocatalytic oxidation of benzene was conducted at ambient temperature under UV and/or visible light to demonstrate the catalytic activity of the Au/TV2 catalyst. The TV2 lattice exhibits a quantum jump in benzene to phenol oxidation compared to that of TiO2, highlighting the importance of V for oxidation. Introduction of Au onto TV2 further increases the benzene to phenol oxidation and phenol yield by a factor of 2 under UV light compared to those of bare TV2. No significant phenol production was observed in visible light with or without gold, indicating the role of gold is indirect toward charge separation and electron storage. Nano gold clusters on TV2 selectively store photoexcited electrons and in turn maximize holes utilization on TiO2. The high photocatalytic activity of Au/TV2 is mainly attributed to the presence of Schottky junctions, disordered mesoporosity, and short diffusion lengths for charge carriers.
}, keywords = {nano gold, phenol, Photocatalysis, Schottky junction, titania, Vanadium}, issn = {2155-5435}, doi = {10.1021/cs500724z}, author = {Devaraji, Perumal and Sathu, Naveen K. and Gopinath, Chinnakonda S.} } @article { ISI:000332027100007, title = {Amino acid-based multiresponsive low-molecular weight metallohydrogels with load-bearing and rapid self-healing abilities}, journal = {Chemical Communications}, volume = {50}, number = {23}, year = {2014}, month = {FEB}, pages = {3004-3006}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A multiresponsive metallohydrogel based on an amino acid-derived low molecular weight (LMW) ligand and a Zn(II) salt was prepared. This hydrogel showed remarkable shape-persistent, self-standing, load-bearing and self-healing properties, which is uncommon in LMW hydrogels.
}, issn = {1359-7345}, author = {Saha, Subhadeep and Bachl, Jurgen and Kundu, Tanay and Diaz, David Diaz and Banerjee, Rahul} } @article {46388, title = {Anion-induced transition from supramolecular metallogel to metal organic frameworks}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C462}, type = {Meeting Abstract}, keywords = {metallohydrogel}, issn = {2053-2733}, author = {Kumar, Sushil} } @article { ISI:000334599800029, title = {Anti-cancer therapeutic potential of quinazoline based small molecules via global upregulation of miRNAs}, journal = {Chemical Communications}, volume = {50}, number = {35}, year = {2014}, month = {MAR}, pages = {4639-4642}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Three quinazoline based small molecules showed global upregulation of miRNA expression with a selective enrichment of tumor suppressor miRNAs. The target genes of the upregulated miRNAs were predicted to be enriched for apoptotic pathways. Apoptotic induction following treatment with quinazoline compounds was confirmed by in cellulo studies. Thus, these small molecules having the core structural moiety (2,4-diphenyl-quinazoline) can be used as scaffolds to design activators of miRNA expression paving the way for novel anti-cancer drugs.
}, issn = {1359-7345}, doi = {10.1039/c3cc49337g}, author = {Nahar, Smita and Bose, Debojit and Panja, Sumit Kumar and Saha, Satyen and Maiti, Souvik} } @article { ISI:000340300300018, title = {Antifungal activity and mechanism of action of carvacrol and thymol against vineyard and wine spoilage yeasts}, journal = {Food Control}, volume = {46}, year = {2014}, month = {DEC}, pages = {115-120}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Antimicrobial activity of carvacrol and thymol against natural yeast flora of the grapes and yeasts known to cause wine spoilage was examined. Carvacrol and thymol exhibited comparable or better antifungal activity than potassium metabisulphite, commercially used wine preservative, against the natural yeast flora and spoilage yeasts. The antifungal activity for both the compounds was better at pH 3.5 than pH 6.5. Addition of carvacrol and thymol (64 mu g/mL) in red wine resulted in inhibition of growth of the spoilage yeasts. Carvacrol and thymol exerted their antimicrobial action through membrane damage, leakage of cytoplasmic content and ergosterol depletion. In conclusion, carvacrol and thymol holds promise as a potential natural preservative for the control of wine spoilage. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {antifungal, Carvacrol, Thymol, Wine spoilage}, issn = {0956-7135}, doi = {10.1016/j.foodcont.2014.05.007}, author = {Chavan, Pradnya S. and Tupe, Santosh G.} } @article { ISI:000333939500005, title = {Antifungal dimeric chalcone derivative kamalachalcone E from Mallotus philippinensis}, journal = {Natural Product Research}, volume = {28}, number = {4}, year = {2014}, month = {FEB}, pages = {245-250}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
From the red coloured extract (Kamala) prepared through acetone extraction of the fresh whole uncrushed fruits of Mallotus philippinensis, one new dimeric chalcone (1) along with three known compounds 1-(5,7-dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen -1-one (2), rottlerin (3) and 4 {\textquoteleft}-hydroxyrottlerin (4) were isolated. The structure of compound 1 was elucidated by 1D and 2D NMR analyses that included HSQC, HMBC, COSY and ROESY experiments along with the literature comparison. Compounds 1-4 were evaluated for antifungal activity against different human pathogenic yeasts and filamentous fungi. The antiproliferative activity of the compounds was evaluated against Thp-1 cell lines. Compounds 1 and 2 both exhibited IC50 of 8, 4 and 16 mu g/mL against Cryptococcus neoformans PRL518, C. neoformans ATCC32045 and Aspergillus fumigatus, respectively. Compound 4, at 100 mu g/mL, showed 54\% growth inhibition of Thp-1 cell lines.
}, keywords = {4 {\textquoteleft}-hydroxyrottlerin, antifungal, dimeric chalcone, kamalachalcone E, Mallotus philippinensis, rottlerin}, issn = {1478-6419}, doi = {10.1080/14786419.2013.843178}, author = {Kulkarni, Roshan R. and Tupe, Santosh G. and Gample, Suvarna P. and Chandgude, Macchindra G. and Sarkar, Dhiman and Deshpande, Mukund V. and Joshi, Swati P.} } @article { ISI:000344448000015, title = {Anti-fungal potentials of extracellular metabolites of western ghats isolated streptomyces sp NII 1006 against moulds and yeasts}, journal = {Indian Journal of Experimental Biology }, volume = {52}, number = {11}, year = {2014}, month = {NOV}, pages = {1138-1146}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, type = {Article}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
Realization of hazardious effects of chemical fungicides has led to an interest in the usage of biocontrol agents. The present study, therefore, evaluates the biocontrol efficacy of Western Ghats (India) soil bacterial isolates. A potential strain NII 1006 was evaluated for its antagonistic property against a diverse range of moulds and yeasts. The strain was characterized morphologically, biochemically and molecularly, which revealed the isolate belonged to Streptomyces genus. Organic solvent extracts of NII 1006 culture filtrates inhibited the growth of the test pathogens indicating that growth suppression was due to extracellular anti-fungal metabolites present in the culture filtrates. The strain produced extracellular chitinase enzyme in addition to some stable partially purified anti-fungal compounds. Morphological changes such as hyphae degradation into debris and abnormal shapes were observed in test fungi and yeast grown on potato dextrose broth that contained the NII 1006 culture filtrate. The cell free supernatant has a tolerance to wide range of pH, temperature and enzymes such as lipase and protease. The biocontrol potential of NII 1006 strain may be correlated significantly with their ability to produce antibiotics as well as extracellular hydrolytic enzymes particularly chitinolytic enzyme.
}, keywords = {Anti-fungal activity, Biocontrol, Extracellular anti-fungal metabolites, Streptomyces}, issn = {0019-5189}, author = {Jayamurthy, Himani and Sajna, Kuttavan Valappil and Dastager, Syed Gulam and Pandey, Ashok} } @article {43308, title = {Antimicrobial activity of a new series of Bis(isoxazoline),Bis(isoxazole)and their derivatives}, journal = {International Journal of Chemical and Physical Sciences}, volume = {1}, year = {2014}, month = {JAN}, pages = {1-4}, type = {Article}, abstract = {
A series of 1,1-bis [2-hydroxy-3-(5{\textquoteright}-aryl-isoxazoline-3-yl)-5-methyl phenyl] methane and 1,1-bis [2-hydroxy-3-(5{\textquoteright}-aryl-isoxazol-3-yl)-5-methyl phenyl] methane derivatives were evaluated for their antimicrobial activity against some selected pathogenic micro-organisms such as Gram-positive bacteria, Staphylococcus aureus, Citrobacter frundii, Bacillus megatherium and Gram-negative bacteria Staphyloccus aureus, Escherichia coli, Proteus mirabilis, Pseudomonas aeruginosa, Enterobacter aerogenes, Salmonella typhi, Proteus vulgaris.
}, author = {Gajbhiye, Jayant M. and Chopade, A. U.} } @article {43392, title = {Antimicrobial activity of ZnO nanoparticles against pathogenic bacteria and fungi}, journal = {JSM Nanotechnology and Nanomedicine}, volume = {2}, year = {2014}, month = {JAN}, pages = {1-7}, author = {Navale, G. R. and Thripuranthaka, M. and Late, Dattatray J. and Shinde, Sandip S.} } @article {43349, title = {Antimicrobial and dna damaging activity of ochratoxin a extracted from Penicillium species}, journal = {International Journal of Pharma and Bio Sciences}, volume = {5}, year = {2014}, month = {OCT}, pages = {335-341}, abstract = {The present investigation was carried out by ten bacterial species, Bacillus subtilis, Escherishia coli, Enterobacter aerogenes, Klebsiella pneumoniae, Micrococcus luteus, Pseudomonas aeruginosa, Pseudomonas putida, Proteus mirabilis, Proteus vulgaris, Staphylococcus aureus and five fungal species, Aspergillus terreus, Penicillium aurantiogriseum, P.expansum, Paceliomycs varioti, Fusarium graminarium were screened for their sensitivity against ochratoxin A (OTA) produced by Penicillium verrucosum. Proteus mirabilis was highly sensitive followed by E.aureogens, B.subtilis and K. pneumoniae. Rest of the bacteria was intermediate in their sensitivity when compared with the streptomycin as standard. Similarly P.aurantiogriseum and Paeciolomyces varioti were comparatively more sensitive than the other fungi under study. Aspergillus terreus and P.expansum was sensitive to an intermediate extent. Simultaneously the DNA damaging activity of OTA was also evaluated by PRSET-B plasmid DNA treated with H2O2 plus different concentrations of OTA. The highest DNA stand breaks was observed on even at 25μg/ml of OTA and complete degradation of DNA stand breaks was observed on 30μg/ml of OTA.}, author = {Vankudoth, Koteswara Rao and Sivadevuni, Girisham} } @article { ISI:000334682700018, title = {Antimicrobial and SEM studies of sophorolipids synthesized using lauryl alcohol}, journal = {Journal of Surfactants and Detergents}, volume = {17}, number = {3}, year = {2014}, month = {MAY}, pages = {543-552}, publisher = {SPRINGER HEIDELBERG}, type = {Article}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
In recent years, researchers have developed biosurfactants for industrial, pharmaceutical and medical applications revealing the promising biological activities of these biomolecules. One of the best studied microbial surfactants are glycolipids, especially sophorolipids (SLs) produced by selected non-pathogenic yeast species of Candida. They are biodegradable, non-toxic and are environmentally friendly. Sophorolipid production was carried out using glucose as the hydrophilic source and lauryl alcohol C12-14, as the hydrophobic source using Candida bombicola ATCC 22214. Primary characterization of the SL obtained using lauryl alcohol (SLLA) was done by FTIR which depicted the presence of alkyl sophorosides/SLs. Antimicrobial activity testing revealed that SLLA showed complete inhibition against gram negative bacteria, Escherichia coli (ATCC 8739) Pseudomonas aeruginosa (ATCC 9027) at 30 and 1 mu g/ml at a contact time of 2 and 4 h respectively. Whereas for gram positive bacteria Staphylococcus aureus (ATCC 6358), Bacillus subtilis (ATCC 6633), complete inhibition was observed at 6 and 1 mu g/ml respectively at a contact time of 4 h. The formed SLLA showed noteworthy inhibition against the pathogenic yeast Candida albicans (ATCC 2091) at 50 mu g/ml with a contact time of 4 h. These values are remarkably low compared to reported values of oleic acid SLs and linolenic acid SLs which were studied for antimicrobial properties. Scanning electron microscopy analysis of the treated cells revealed the changes in morphology and topography of the microorganisms.
}, keywords = {Antimicrobial property, Biosurfactants, Candida bombicola, Lauryl alcohol, sophorolipids}, issn = {1097-3958}, doi = {10.1007/s11743-013-1495-8}, author = {Dengle-Pulate, Vrushali and Chandorkar, Parul and Bhagwat, Sunil S. and Prabhune, Asmita Ashutosh} } @article { ISI:000344866500012, title = {Antiplasmodial activity-aided isolation and identification of quercetin-4 {\textquoteleft}-methyl ether in chromolaena odorata leaf fraction with high activity against chloroquine-resistant plasmodium falciparum}, journal = {Parasitology Research }, volume = {113}, number = {12}, year = {2014}, month = {DEC}, pages = {4415-4422}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The present study was undertaken to evaluate the antiplasmodial activity of Chromolaena odorata leaf extract and gradient fractions through in vivo and in vitro tests, aimed at identifying its antiplasmodial constituents. Sub-fractions obtained from the most active gradient fraction were further tested for cytotoxicity against THP-1 cells, chloroquine-sensitive (HB3) and chloroquine-resistant (FCM29) Plasmodium falciparum. Our results showed the dichloromethane gradient fraction was most effective, significantly (P\<0.05) suppressing infection by 99.46 \% at 100 mg/kg body weight. Amongst its 13 sub-fractions (DF1-DF13), DF11 was highly active, with IC50 of 4.8 and 6.74 mu g/ml against P. falciparum HB3 and FCM29, respectively. Cytotoxicity of DF11 was estimated to be above 50 mu g/ml, and its separation by column chromatography yielded a flavonoid which was characterized as 3, 5, 7, 3{\textquoteright} tetrahydroxy-4{\textquoteright}-methoxyflavone from its spectroscopic data. It significantly suppressed infection (65.43-81.48 \%) in mice at 2.5-5 mg/kg doses and compared favourably with the effects of chloroquine and artemisinin. It may therefore serve as a useful phytochemical and antiplasmodial activity marker of C. odorata leaves, which exhibit potential for development as medicine against malaria.
}, keywords = {malaria, Medicinal plant, Plasmodium falciparum, Toxicity}, issn = {0932-0113}, doi = {10.1007/s00436-014-4119-y}, author = {Ezenyi, I. C. and Salawu, O. A. and Kulkarni, R. and Emeje, Martins} } @article {43379, title = {Aptamer functionalized multifunctional fluorescent nanotheranostic platform for pancreatic cancer}, journal = {Journal of Nanopharm Drug Delivery}, year = {2014}, month = {DEC}, abstract = {This study explores the potential of aptamer functionalized and fluorescent silver nanoparticles (AgNPs) labeled human serum albumin nanoparticles for drug delivery and bioimaging. Nanotechnology is certainly the most promising research arena in recent years and different fields of biotechnology, medicine and agricultural have been deeply benefited by the enormous advantages of nanotechnology. In recent years, synthesis of nanoparticles via eco-friendly methods has attained a lot of interest and silver nanoparticles are synthesized extensively due to their size tunable properties and vast applicability in different areas. In this study we have explored green synthesized fluorescent silver nanoparticles as a novel bioimaging agent for pancreatic cancer. Capsaicin, a plant phytochemical found in red chilli pepper was encapsulated in aptamer MUC-1 coupled albumin nanoparticles and it was observed that the nanoformulation significantly enhanced the bioavailability and sustained release property of the drug to pancreatic cancer cells in-vitro. Meanwhile AgNPs mediated excellent bioimaging has enhanced the efficacy of our system as drug delivery vehicle.}, doi = {10.1166/jnd.2014.1070}, author = {Nigam, Preeti and Waghmode, Shobha A. and Yeware, Amar M. and Nawale, Laxman U. and Dagde, Priyanka and Dudhane, Amol and Sarkar, Dhiman} } @article { ISI:000343905600003, title = {Arthrobacter enclensis sp. nov., isolated from sediment sample}, journal = {Archives of Microbiology}, volume = {196}, number = {11}, year = {2014}, month = {NOV}, pages = {775-782}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
A novel bacterial strain designated as NIO-1008(T) was isolated from marine sediments sample in Chorao Island India. Cells of the strains were gram positive and non-motile, displayed a rod-coccus life cycle and formed cream to light grey colonies on nutrient agar. Strain NIO-1008(T) had the chemotaxonomic markers that were consistent for classification in the genus Arthrobacter, i.e. MK-9(H-2) (50.3 \%), as the major menaquinone, and the minor amount of MK-7 (H-2-27.5 \%), MK-8 (H-4-11.6 \%) and MK-8 (H-2-10.4 \%). anteiso-C-15:0, iso-C-15:0, iso-C-16:0 and C-15:0 were the predominant fatty acids. Galactose, glucose and rhamnose are the cell-wall sugars, and DNA G+C content was 61.3 mol\%. Phylogenetic analysis, based on 16S rRNA gene sequencing, showed that the strains were most similar to Arthrobacter equi IMMIB L-1606(T), Arthrobacter chlorophenolicus DSM 12829(T), Arthrobacter defluvii KCTC 19209(T) and Arthrobacter niigatensis CCTCC AB 206012(T) with 98.5, 98.4, 98.0 and 97.8 \%, respectively, and formed a separate lineage. Combined phenotypic data and DNA-DNA hybridization data supported the conclusion that strains NIO-1008(T) represent a novel species within the genus Arthrobacter, for which the name Arthrobacter enclensis sp. nov., is proposed. The type strain is NIO-1008(T) = (NCIM 5488(T) = DSM 25279(T)).
}, keywords = {Arthrobacter, Chorao Island, Marine sediment, Polyphasic}, issn = {0302-8933}, doi = {10.1007/s00203-014-1016-9}, author = {Dastager, Syed Gulam and Qin, Liu and Tang, Shan-Kun and Krishnamurthi, Srinivasan and Lee, Jae-Chan and Li, Wen-Jun} } @article { ISI:000343905600004, title = {Arthrobacter enclensis sp. nov., isolated from sediment sample (vol 196, pg 775, 2014)}, journal = {Archives of Microbiology}, volume = {196}, number = {11}, year = {2014}, month = {NOV}, pages = {783}, publisher = {SPRINGER}, type = {Correction}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0302-8933}, doi = {10.1007/s00203-014-1041-8}, author = {Dastager, Syed Gulam and Liu, Qing and Tang, Shan-Kun and Krishnamurthi, Srinivasan and Lee, Jae-Chan and Li, Wen-Jun} } @article { ISI:000346322200010, title = {Artificial intelligence-based modeling of high ash coal gasification in a pilot plant scale fluidized bed gasifier}, journal = {Industrial \& Engineering Chemistry Research }, volume = {53}, number = {49}, year = {2014}, month = {DEC}, pages = {18678-18689}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The quality of coalespecially its high ash contentsignificantly affects the performance of coal-based processes. Coal gasification is a cleaner and an efficient alternative to the coal combustion for producing the syngas. The high-ash coals are found in a number of countries, and they form an important source for the gasification. Accordingly, in this study, extensive gasification experiments were conducted in a pilot-plant scale fluidized-bed coal gasifier (FBCG) using high-ash coals from India. Specifically, the effects of eight coal and gasifier process related parameters on the four gasification performance variables, namely CO+H-2 generation rate, syngas production rate, carbon conversion, and heating value of the syngas, were rigorously studied. The data collected from these experiments were used in the FBCG modeling, which was conducted by utilizing two artificial intelligence (AI) strategies namely genetic programming (GP) and artificial neural networks (ANNs). The novelty of the GP formalism is that it searches and optimizes both the form and parameters of an appropriate linear/nonlinear function that best fits the given process data. The original eight-dimensional input space of the FBCG models was reduced to three-dimensional space using the principal component analysis (PCA) and the PCA-transformed three variables were used in the AI-based FBCG modeling. A comparison of the GP and ANN-based models reveals that their output prediction accuracies and the generalization performance vary from good to excellent as indicated by the high training and test set correlation coefficient magnitudes lying between 0.92 and 0.996. This study also presents results of the sensitivity analysis performed to identify those coal and process related parameters, which significantly affect the FBCG process performance.
}, issn = {0888-5885}, doi = {10.1021/ie500593j}, author = {Patil-Shinde, Veena and Kukarni, Tejas and Kulkarni, Rahul and Chavan, Prakash D. and Sharma, Tripurari and Sharma, Bijay Kumar and Tambe, Sanjeey S. and Kulkarni, B. D.} } @article { ISI:000342761600095, title = {Asymmetric transfer hydrogenation of imines in water/methanol co-solvent system and mechanistic investigation by DFT study}, journal = {RSC Advances}, volume = {4}, number = {86}, year = {2014}, month = {SEP}, pages = {46351-46356}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Asymmetric transfer hydrogenation of various cyclic imines proceeded efficiently with water/methanol co-solvent media in 20 min with excellent yields and enantioselectivities by employing Rh-TsDPEN catalyst and sodium formate as a hydrogen donor. The role of the co-solvent in enhanced productivity of the reaction was investigated by DFT. The mechanism for ATH of the imines has been discussed on the basis of the DFT study.
}, issn = {2046-2069}, doi = {10.1039/c4ra07964g}, author = {Shende, Vaishali S. and Shingote, Savita K. and Deshpande, Sudhindra H. and Kuriakose, Nishamol and Vanka, Kumar and Kelkar, Ashutosh A.} } @article { ISI:000331163900002, title = {Asymmetric vinylogous mannich reaction of silyloxy furans with N-tert-butanesulfinyl ketimines}, journal = {Organic Letter}, volume = {16}, number = {3}, year = {2014}, month = {FEB}, pages = {648-651}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A highly regio- and diastereoselective TMSOTf promoted vinylogous Mannich reaction for the synthesis of chiral quaternary 3-aminooxindole butenolides from 2-silyloxy furans and chiral ketimines is described. The method is found to be very efficient and also provides a facile access to sterically challenging 3-aminooxindole butenolides bearing two quaternary centers in continuation. Further, the versatility of the method is demonstrated by the 1,4-addition of nucleophiles on the sterically congested butenolide substructure..
}, issn = {1523-7060}, doi = {10.1021/ol4037117}, author = {Rao, V. U. Bhaskara and Jadhav, Amol P. and Garad, Dnyaneshwar N. and Singh, Ravi P.} } @article { ISI:000337000403805, title = {Atomistic simulations lend mechanistic insights into plausible ways of perturbing the nucleation thermodynamics of the full-length a beta peptide}, journal = {Biophysical Journal}, volume = {106}, number = {2, 1}, year = {2014}, note = {58th Annual Meeting of the Biophysical-Society, San Francisco, CA, FEB 15-19, 2014}, month = {JAN}, pages = {683A}, publisher = {Biophys Soc}, type = {Meeting Abstract}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Jana, Asis K. and Sengupta, Neelanjana} } @article { ISI:000332756200019, title = {Atypical energetic and kinetic course of excited-state intramolecular proton transfer (ESIPT) in room-temperature protic ionic liquids}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {9}, year = {2014}, month = {MAR}, pages = {2487-2498}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The excited-state intramolecular proton-transfer (ESIPT) process in 1,8-dihydroxyanthraquinone (18DHAQ) dye has been investigated in protic ionic liquid (PIL) solvents using photochemical measurements. The results demonstrate noteworthy modulations in both steady-state and time-resolved emission characteristics of excited normal (N*) and tautomeric (T*) forms of the dye. That the emission of T* increases unexpectedly upon increasing solvent viscosity indicates that subsequent to the initial forward ESIPT, there is also a relatively slower back ESIPT process involved for the excited dye. It is inferred that the propensity of this back ESIPT process is determined by the dynamics of the diffusive solvent relaxation, a process that is known to be strongly viscosity-dependent in ionic liquids. Evidence of both forward and back ESIPT for the dye has been obtained from femtosecond fluorescence up-conversion measurements. While an unusually fast forward ESIPT is clearly observed in all of the PILs studied, the uncommon back ESIPT process is distinctly indicated in PIL solvents having lower viscosities, certainly due to reasonably fast diffusive solvent relaxation in these solvents that causes a temporal modulation in the energies of the normal and tautomeric forms within a reasonably short time and thereby brings down the energy of N* compared to that of T*, triggering the back ESIPT process. Observation of solvent-viscosity-dependent back ESIPT is an intriguing finding for the present study as to the best of our knowledge, such a behavior has so far not been reported in the literature for the ESIPT reaction.
}, issn = {1520-6106}, doi = {10.1021/jp500281z}, author = {Manna, Arpan and Sayed, Mhejabeen and Kumar, Anil and Pal, Haridas} } @article { ISI:000329293600019, title = {Bacillus enclensis sp nov., isolated from sediment sample}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {1}, year = {2014}, month = {JAN}, pages = {199-206}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A novel bacterial strain, designated SGD-1123(T) was isolated from Chorao Island, in Goa Province, India. The strain was found to be able to grow at 15-42 A degrees C, pH 5-12 and 0-12 \% (w/v) NaCl. The whole cell hydrolysates were found to contain meso-diaminopimelic acid, galactose and arabinose. The major fatty acids were identified as iso-C-15:0 and anteiso-C-15:0, MK-7 was identified as the predominant menaquinone and the predominant polar lipids were identified as diphosphatidylglycerol, phosphatidylglycerol, phosphatidylethanolamine and an unidentified aminolipid. The genomic DNA G+C content was determined to be 44.6 mol\%. Phylogenetic analysis based on 16S rRNA gene sequences placed the isolate within the genus Bacillus and further revealed that strain SGD-1123(T) had highest sequence similarity with Bacillus aquimaris, and forms a separate clade with its closest relatives i.e. B. aquimaris, Bacillus vietnamensis and Bacillus marisflavi, with which it shares 94.5, 94.1 and 94.1 \% similarity respectively. The phylogenetic, chemotaxonomic and phenotypic analyses indicated that strain SGD-1123(T) represents a novel species within the genus Bacillus, for which the name Bacillus enclensis is proposed. The type strain is SGD-1123(T) (NCIM 5450(T)=CCTCC AB 2011125(T)).
}, keywords = {Bacillus sp, Marine sediment, Polyphasic}, issn = {0003-6072}, doi = {10.1007/s10482-013-0066-3}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Tang, Shan-Kun and Srinivasan, Krishnamurthi and Ramana, V. Venkata and Shouche, Yogesh S.} } @article {45941, title = {Back-to-back MOS{\textendash}Schottky (Pt{\textendash}SiO2{\textendash}Si{\textendash}C{\textendash}Pt) nano-heterojunction device as an efficient self-powered photodetector: one step fabrication by pulsed laser deposition }, journal = {Nanoscale}, volume = {6}, year = {2014}, month = {JAN}, pages = {3550-3556}, type = {Article}, abstract = {An efficient self-powered photodetector design involving a C{\textendash}Si hetero-interface with back-to-back MOS{\textendash}Schottky (Pt{\textendash}SiO2{\textendash}Si{\textendash}C{\textendash}Pt) device action is presented. Pulsed laser deposition of a carbon thin film is used which dynamically removes the native surface oxide to form the desired Schottky interface. The combined device action yields two orders of magnitude photoresponse at zero bias.}, issn = {2040-3372}, doi = { http://dx.doi.org/10.1039/C3NR06525A}, author = {Shaikh, P. A. and Thakare, V. P. and Late, D. J. and Ogale, S.} } @article { ISI:000333477500018, title = {Base-stimulated 1,2-, 1,4-, and 1,6-eliminations in suitably substituted alkylidenesuccinates leading to natural and unnatural conjugated alkenyl(methyl)maleic anhydrides}, journal = {Journal of Organic Chemistry}, volume = {79}, number = {6}, year = {2014}, month = {MAR}, pages = {2538-2546}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
With dimethyl maleate as the starting material, facile stereoselective syntheses of natural and unnatural conjugated alkenyl(methyl)maleic anhydrides have been described. The key reactions were base-endorsed novel 1,2-, 1,4-, and 1,6-eliminations in the corresponding alkylidenesuccinate derivatives. The 1,2-eliminations in cyclic carbonate and sulfite by regioselective abstraction of methine protons with the respective release of CO2 and SO2 provided a conjugated ketone product. The characteristic 1,4- and 1,6-elimination reactions with respective release of acetone and mesylate furnished the corresponding unsaturated alcohols. The obtained allylic alcohols were transformed into conjugated alkenyl(methyl)maleic anhydrides via oxidation followed by a Horner-Wadsworth-Emmons reaction pathway in very good yields. The mechanistic aspects involved in these significant elimination reactions have also been described in brief.
}, issn = {0022-3263}, doi = {10.1021/jo402857r}, author = {Deore, Prashant S. and N. P. Argade} } @article { ISI:000339012400004, title = {Biocatalyst mediated functionalization of salannin, an insecticidal limonoid}, journal = {RSC Advances}, volume = {4}, number = {53}, year = {2014}, month = {JUN}, pages = {27661-27664}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Transformation of salannin, an insecticidal C-seco limonoid was investigated using a fungal system, Cunninghamella echinulata. Salannin was efficiently converted into two metabolites, where the C-17 furan moiety was transformed into gamma-hydroxybutenolide (salanninolide) and N-(2-hydroxyethyl)-alpha,beta-unsaturated-gamma-lactam (salanninactam) analogues. Present studies have indicated salanninolide to be a metabolite in the C-seco limonoid biosynthetic pathway.
}, issn = {2046-2069}, doi = {10.1039/c4ra04652h}, author = {Haldar, Saikat and Kolet, Swati P. and Dandekar, Devdutta S. and Kale, Balaji S. and Gonnade, Rajesh G. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000330790100004, title = {Biocatalyst mediated regio- and stereo-selective hydroxylation and epoxidation of (Z)-alpha-santalol}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {7}, year = {2014}, month = {JAN}, pages = {1048-1051}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Biocatalyst mediated regio- and stereo-selective hydroxylation and epoxidation on (Z)-alpha-santalol were achieved for the first time, using a fungal strain Mucor piriformis. Four novel metabolites were characterized as 10,11-cis-beta-epoxy-alpha-santalol, 5 alpha-hydroxy-(Z)-alpha-santalol, 10,11-dihydroxy-alpha-santalol and 5 alpha-hydroxy-10,11-cis-beta-epoxy-alpha-santalol. Using Amano PS lipase from Burkholderia cepacia, alpha- and beta-isomers of 10,11-cis-epoxy-alpha-santalol were resolved efficiently.
}, issn = {1477-0520}, doi = {10.1039/c3ob42174k}, author = {Daramwar, Pankaj P. and Srivastava, Prabhakar Lal and Kolet, Swati P. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000337885300011, title = {Biodegradable iron chelate for H2S abatement: modeling and optimization using artificial intelligence strategies}, journal = {Chemical Engineering Research \& Design}, volume = {92}, number = {6}, year = {2014}, month = {JUN}, pages = {1119-1132}, publisher = {INST CHEMICAL ENGINEERS}, type = {Article}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {
A batch reactor process for the abatement of a common pollutant, namely, H2S using Fe3+-malic acid chelate (Fe3+-MA) catalyst has been developed. Further, process modeling and optimization was conducted in the three stages with a view to maximize the H2S conversion: (i) sensitivity analysis of process inputs was performed to select the most influential process operating variables and parameters, (ii) an artificial neural network (ANN)-based data-driven process model was developed using the influential process variables and parameters as model inputs, and H2S conversion (\%) as the model output, and (iii) the input space of the ANN model was optimized using the artificial immune systems (AIS) formalism. The AIS is a recently proposed stochastic nonlinear search and optimization method based on the human biological immune system and has been introduced in this study for chemical process optimization. The AIS-based optimum process conditions have been compared with those obtained using the genetic algorithms (GA) formalism. The AIS-optimized process conditions leading to high (approximate to 97\%) H2S conversion, were tested experimentally and the results obtained thereby show an excellent match with the AIS-maximized H2S conversion. It was also observed that the AIS required lesser number of generations and function evaluations to reach the convergence when compared with the GA. (C) 2013 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
}, keywords = {Artificial immune systems, Artificial neural networks, Batch reactor, Genetic algorithms, Sensitivity analysis}, issn = {0263-8762}, doi = {10.1016/j.cherd.2013.10.017}, author = {Hamid, Aashti and Deshpande, Aniruddha S. and Badhe, Yogesh P. and Barve, Prashant P. and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @article { ISI:000331737000012, title = {Biogenic synthesis of selenium nanoparticles and their effect on as(III)-induced toxicity on human lymphocytes}, journal = {Biological Trace Element Research}, volume = {157}, number = {3}, year = {2014}, month = {MAR}, pages = {275-283}, publisher = {HUMANA PRESS INC}, type = {Article}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
{A bioreductive capacity of a plant, Terminalia arjuna leaf extract, was utilized for preparation of selenium nanoparticles. The leaf extract worked as good capping as well as stabilizing agent and facilitated the formation of stable colloidal nanoparticles. Resulting nanoparticles were characterized using UV-Vis spectrophotometer, transmission electron microscopy (TEM), energy dispersive X-ray analysis (EDAX), Fourier transform infrared spectroscopy (FT-IR), and X-ray diffraction analysis (XRD), respectively. The colloidal solution showed the absorption maximum at 390 nm while TEM and selected area electron diffraction (SAED) indicated the formation of polydispersed, crystalline selenium nanoparticles of size raging from 10 to 80 nm. FT-IR analysis suggested the involvement of O-H, N-H
}, keywords = {Arsenite, Comet assay, EDAX, MTT assay, Selenium nanoparticles, Terminalia arjuna}, issn = {0163-4984}, doi = {10.1007/s12011-014-9891-0}, author = {Prasad, Kumar Suranjit and Selvaraj, Kaliaperumal} } @article { ISI:000338818800044, title = {Biological synthesis of cationic gold nanoparticles and binding of plasmid DNA}, journal = {Materials Letters}, volume = {129}, year = {2014}, month = {AUG}, pages = {159-161}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Nanobiotechnology is the development of eco-friendly experimental processes for the synthesis of nanomaterials. The present work focuses on synthesis of cationic gold nanoparticles (C-GNPs) for biological applications, especially in gene and drug delivery studies. A biosynthesis methodology has been developed for the functionalization of gold nanoparticles to cationic nature. The synthesis of C-GNPs was done by using peanut leaf extract in the presence of cysteamine. The formed C-GNPs were characterized by using UV-visible spectroscopy (UV-vis), the particles sizes and shapes were confirmed by a Transmission electron microscope (TEM) and crystallinity of C-GNPs was characterized by diffraction. The binding of plasmid DNA on the C-GNPs was confirmed by agarose gel electrophoresis. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Biomaterials, Cationic, Nanoparticles, Plasmid DNA, synthesis, TEM}, issn = {0167-577X}, doi = {10.1016/j.matlet.2014.05.021}, author = {Raju, D. and Vishwakarma, Rishi K. and Khan, Bashir Mohammad and Mehta, Urmil J. and Ahmad, Absar} } @article { ISI:000340223000038, title = {Blue, green, and orange-red emission from Polystyrene microbeads for solid-state white-light and multicolor emission}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {31}, year = {2014}, month = {AUG}, pages = {9467-9475}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Solid-state white-light emission was achieved from polystyrene (PS) microbeads incorporated with fluorophores based on perylene bisimide (PBITEG) and oligo(p-phenylenevinylene) (OPV) as acrylic cross-linkers. The PS beads incorporated with only PBITEG gave intense orange-red emission; PS incorporated with OPV exhibited blue-emission, whereas a series of polymers incorporating both cross-linkers exhibited varying shades of white-light emission. One of the PS samples, PS-PBITEG-6.25-OPV-4.28 (PBITEG incorporation: 6.25 X 10(-7) mole; OPV incorporation: 4.28 x 10(-7) mol), exhibited pure white-light emission in the powder form with CIE coordinates (0.33, 0.32). The rigid aromatic cross-linkers were incorporated into the PS backbone in a two-stage dispersion polymerization to afford PS beads in the size range 2 to 3 mu m. The incorporation of fluorophores as cross-linkers enabled covalent attachment of the dye to the polymer backbone, avoiding dye leakage besides avoiding aggregation-induced fluorescence quenching.
}, issn = {1520-6106}, doi = {10.1021/jp504718m}, author = {Sonawane, Swapnil L. and Asha, S. K.} } @article { ISI:000333808600006, title = {Blue luminescent graphene quantum dots by photochemical stitching of small aromatic molecules: fluorescent nanoprobes in cellular imaging}, journal = {Particle \& Particle Systems Characterization }, volume = {31}, number = {4}, year = {2014}, month = {APR}, pages = {433-438}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Blue fluorescent graphene quantum dots (GQDs) are synthesized from small haloaromatic molecules by laser photochemistry. The process involves a bottom-up photochemical stitching mechanism of the free radicals generated by irradiation of ultraviolet photons (lambda = 248 nm) on o-dichlorobenzene. The GQDs are further demonstrated to be of importance as fluorescent nanoprobes in bioimaging of cells.image
}, keywords = {bioimaging, free radicals, graphene quantum dots, photochemical stitching, UV laser}, issn = {0934-0866}, doi = {10.1002/ppsc.201300294}, author = {Gokhale, Rohan and Singh, Pooja} } @article { ISI:000327915300016, title = {Calcium oxide supported gold nanoparticles as catalysts for the selective epoxidation of styrene by t-butyl hydroperoxide}, journal = {Journal of Colloid and Interface Science}, volume = {415}, year = {2014}, month = {FEB}, pages = {111-116}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Gold nanoparticles are deposited on basic CaO supports as catalysts for the selective conversion of styrene into styrene oxide. Synthetic methods, gold loading and calcination temperatures are varied to permit an understanding of their influence on gold nanoparticle size, the presence of cationic gold species and the nature of interaction between the gold nanoparticles and the CaO support. Based on these studies, optimal conditions are designed to make the Au/CaO catalyst efficient for the selective epoxidation of styrene. (C) 2013 Elsevier Inc. All rights reserved.
}, keywords = {Au/CaO, Epoxidation of styrene, gold nanoparticles, Homogenous deposition precipitation method, Styrene oxide}, issn = {0021-9797}, doi = {10.1016/j.jcis.2013.10.016}, author = {Dumbre, Deepa K. and Choudhary, Vasant R. and Patil, Nilesh S. and Uphade, Balu S. and Bhargava, Suresh Kumar} } @article { ISI:000345075400006, title = {Calorimetric elucidation of ionic interactions in room temperature ionic liquid solutions}, journal = {Clean Technologies and Environmental Policy }, volume = {16}, number = {8, SI}, year = {2014}, month = {DEC}, pages = {1529-1536}, publisher = {SPRINGER}, type = {Review}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Knowledge of thermal properties of room temperature ionic liquid (RTIL) solutions is essential in chemical process designing in addition to their application in understanding ionic interactions at molecular level. RTILs are considered to be substitutes for volatile organic compounds. While some experimental thermal data on these systems are available in a random manner, the modeling efforts to correlate enthalpy-concentration profiles of RTIL solutions are very scanty. In this review, an effort has been made to compare and discuss the experimental data of these RTIL solutions available in the literature. The readers are also made aware of the disappointing situation regarding the availability of any type of correlative models for the enthalpy-concentration data of the RTIL systems. An accurate knowledge of activity coefficients at infinite dilutions, Iyen (i) (a) acquired from thermal data will serve as inputs for the newer less polluting process designing and thus open opportunity for a cleaner environment.
}, keywords = {Calorimeters, Correlative models, Excess partial molar enthalpy, Room temperature ionic liquids}, issn = {1618-954X}, doi = {10.1007/s10098-013-0644-0}, author = {Rai, Gitanjali and Kumar, Anil} } @article { ISI:000339228500017, title = {Can silylenes rival transition metal systems in bond-strengthening pi-back donation? a computational investigation}, journal = {Chemical Communications}, volume = {50}, number = {62}, year = {2014}, month = {AUG}, pages = {8522-8525}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Full quantum chemical calculations with density functional theory (DFT) show that bond-strengthening back-donation to a pi-diborene, recently discovered for transition metal systems (Braunschweig and co-workers, Nat. Chem., 2013, 5, 115-121), would be just as favored for Main Group silylene complexes. This result not only shows the range and applicability of the bond-strengthening back-bonding interaction, but also showcases the capacity of silylene complexes to do new chemistry, such as the cooperative activation of carbon monoxide and carbon dioxide.
}, issn = {1359-7345}, doi = {10.1039/c4cc02470b}, author = {Pal, Amrita and Vanka, Kumar} } @article { ISI:000341359200002, title = {Capturing a novel metastable polymorph of the anticancer drug gefitinib}, journal = {CrystEngComm}, volume = {16}, number = {37}, year = {2014}, month = {AUG }, pages = {8638-8641}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Gefitinib, a life-extending anticancer drug, exhibits solvent-mediated conformational polymorphism to yield stable (form I) and novel metastable (form II) polymorphs. Crystal structure analysis revealed 3D isostructurality in the molecular organization of the polymorphs, and the metastable polymorph undergoes a crystal-to-crystal thermal phase transition to the stable polymorph.
}, issn = {1466-8033}, doi = { 10.1039/c4ce01446d}, author = {Thorat, Shridhar H. and Patwadkar, Manjusha V. and Gonnade, Rajesh G. and Vaidhyanathan, R.} } @article { ISI:000343026600023, title = {Cationic charged helical glycopolypeptide using ring opening polymerization of 6-deoxy-6-azido-glyco-N-carboxyanhydride}, journal = {Biomacromolecules}, volume = {15}, number = {10}, year = {2014}, month = {OCT}, pages = {3679-3686}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Glycopolypeptides with a defined secondary structure are of significance in understanding biological phenomena. Synthetic glycopolypeptides, or polypeptides featuring pendant carbohydrate moieties, have been of particular interest in the field of tissue engineering and drug delivery. In this work, we have synthesized charged water-soluble glycopolypeptides that adopt a helical conformation in water. This was carried out by the synthesis of a glyco-N-carboxyanhydride (glyco-NCA) containing an azide group at the sixth position of the carbohydrate ring. Subsequently, the NCA was polymerized to obtain azide-containing glycopolypeptides having good control over molecular weight and polydispersity index (PDI) in high yields. We were also able to control the incorporation of the azide group by synthesizing random co-glycopolypeptide containing 6-deoxy-6-azido and regular 6-OAc functionalized glucose. This azide functionality allows for the easy attachment of a bioactive group, which could potentially enhance the biological activity of the glycopolypeptide. We were able to obtain water-soluble charged glycopolypeptides by both reducing the azide groups into amines and using CuAAC with propargylamine. These charged glycopolypeptides were shown to have a helical conformation in water. Preliminary studies showed that these charged glycopolypeptides showed good biocompatibility and were efficiently taken up by HepG2 cells.
}, issn = {1525-7797}, doi = {10.1021/bm5009537}, author = {Shaikh, Ashif Y. and Das, Soumen and Pati, Debasis and Dhaware, Vinita and Sen Gupta, Sayam and Hotha, Srinivas} } @article { ISI:000330143000008, title = {CdS nanowires: ultra-long growth and enhanced field emission properties}, journal = {Vaccum}, volume = {101}, number = {SI}, year = {2014}, month = {MAR}, pages = {38-45}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Here, we report the synthesis of ultra-long CdS nanowires with aspect ratio similar to 8 x 10(4) by simple route of thermal evaporation technique. A change in the vertical arrangement of quartz boats leads in to the synthesis of ultra-long CdS nanovvires via high degree of condensation. This technique is seen to be cost effective and easy. The growth of the nanowires is found to be increased very rapidly from few micrometers to few millimeters. The possible reason for the growth of the ultra-long CdS nanowires is discussed in detail. The turn-on field defined for the current density of similar to 0.1 mu A/cm(2) has been found to be similar to 1.4, 1.45, 1 and 0.17 V/mu m for specimen A, B, C and D (specimens A-D, synthesized by variation in synthesis parameters) respectively. The turn-on field of the specimen D (similar to 0.17 V/mu m) is found to be quite superior than the value reported for other CdS nanoforms which is very remarkable. Simple way of bulk fabrication leads to the low turn-on value which indicates a possible use of the present emitter in the micro/nanoelectronics devices. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Current stability, field emission, synthesis}, issn = {0042-207X}, doi = {10.1016/j.vacuum.2013.07.019}, author = {Chavan, Padmakar G. and Kashid, Ranjit V. and Badhade, Satish S. and Mulla, Imtiaz S. and More, Mahendra A. and Joag, Dilip S.} } @article { ISI:000342161600057, title = {Cellulose supported cuprous iodide nanoparticles (Cell-CuI NPs): a new heterogeneous and recyclable catalyst for the one pot synthesis of 1,4-disubstituted-1,2,3-triazoles in water}, journal = {RSC Advances}, volume = {4}, number = {79}, year = {2014}, month = {SEP}, pages = {42137-42146}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Cellulose supported cuprous iodide nanoparticles (Cell-CuI NPs) have been demonstrated for the first time as an efficient heterogeneous catalyst in the click synthesis of 1,4-disubstituted 1,2,3-triazoles by a one-pot three component reaction between aralkyl/alkyl bromides, alkynes and sodium azide in water. The catalyst has been characterized by XRD, HRTEM, SEM, ICP-AES, EDS as well as IR spectroscopy. It was found to be reusable for five consecutive runs without significant loss of activity.
}, issn = {2046-2069}, doi = {10.1039/c4ra05080k}, author = {Chavan, Pramod V. and Pandit, Kapil S. and Desai, Uday V. and Kulkarni, Makarand A. and Wadgaonkar, Prakash P.} } @article { ISI:000340703000039, title = {CH3NH3PbI(3-x)(BF4)(x): molecular ion substituted hybrid perovskite}, journal = {Chemical Communications}, volume = {50}, number = {68}, year = {2014}, month = {SEP}, pages = {9741-9744}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A molecular ion (BF4-) substituted hybrid perovskite CH3NH3PbI(3-x)(BF4)(x) is synthesized. The substituted perovskite shows significant enhancement in electrical conductivity at low frequencies and improved photoresponse under AM1.5 illumination as compared to the perovskite (CH3NH3PbI3).
}, issn = {1359-7345}, doi = {10.1039/C4CC04537H}, author = {Nagane, Satyawan and Bansode, Umesh P. and Game, Onkar S. and Chhatre, Shraddha and Ogale, Satishchandra} } @conference {46371, title = {Characteristics of HRV patterns for different yoga postures}, booktitle = {2014 Annual IEEE India Conference (INDICON)}, year = {2014}, month = {DEC}, publisher = {YASHADA, MDC, IEEE Pune Sect; IEEE}, organization = {YASHADA, MDC, IEEE Pune Sect; IEEE}, address = {345 E 47TH ST, NEW YORK, NY 10017 USA}, abstract = {
Human heart rate fluctuates in a complex and non-stationary manner, due to continuous influences from autonomic nervous system and other factors (harmones, temp, etc) on the sinoatrial node (S.A) (Pacemaker of the heart). ANS dysfunction is known to be associated with various cardiovascular and lifestyle diseases. The importance of traditional ancient Indian practice like Yoga has increased significantly due to the observed beneficial effects of it in various lifestyle diseases. Preliminary studies have shown that yoga may have its beneficial effect by influencing autonomic nervous system. Heart rate variability (HRV) is a most promising predictive and prognostic marker of autonomic (ANS) activity. HRV is analyzed by time and frequency domain parameters (Fast Fourier Transform). Being linear parameters these are not able to extract full information regarding the non linear behavior of heart rate fluctuations. In this paper, we propose to analyze HRV by using linear as well as non-linear methods during different yogaasanas. These mathematical models will be useful to understand the underlying physiological mechanisms during different yogasanas.
}, keywords = {ECG, HRV, Poincare plot, Recurrence plot, Yogasanas}, isbn = {978-1-4799-5364-6}, author = {Pitale, Rahul and Tajane, Kapil and Phadke, Leena and Joshi, Aniruddha and Umale, Jayant} } @article { ISI:000347265700005, title = {Characterization, non-isothermal decomposition kinetics and photocatalytic water splitting of green chemically synthesized polyoxoanions of molybdenum containing phosphorus as hetero atom}, journal = {Thermochimica Acta}, volume = {596}, year = {2014}, month = {NOV}, pages = {29-36}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In here, the green synthesis and thermal characterization of a novel polyoxoanions of molybdenum containing phosphorus as hetero atom are reported. The composition and morphology of the nanorods were established by fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. Thermal properties of the nanoparticles were investigated by non-isothermal analysis under nitrogen atmosphere. The values activation energy of each stage of thermal decomposition for all heating rates was calculated by Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunnose (KAS) methods. Invariant kinetic parameter (IKP) method and master plot methodmere also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of cetylpyridinium phosphomolybdate (CPM). Photocatalytic water oxidation mechanism using CPM catalyst in the presence of platinum (Pt) co-catalyst enhances the H-2 evolution and was found to be 1.514 mmol/g/h. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Keggin structure, Master plot method, Polyoxometalate, Water oxidation}, issn = {0040-6031}, doi = {10.1016/j.tca.2014.09.010}, author = {D{\textquoteright}Cruz, Bessy and Samuel, Jadu and George, Leena} } @article {46387, title = {Chemically delaminated free standing covalent organic nanosheets (CONs)}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C457}, type = {Meeting Abstract}, keywords = {Covalent organic framework, porous polymers, ultra thin nano sheets}, issn = {2053-2733}, author = {Khayum, Abdul M. and Banerjee, Rahul} } @article { ISI:000328283800016, title = {Chemically doped perylene diimide lamellae based field effect transistor with low operating voltage and high charge carrier mobility}, journal = {Chemical Communications}, volume = {50}, number = {3}, year = {2014}, month = {OCT}, pages = {326-328}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Chemical doping of an electron transporter results in the formation of a radical anion containing semiconductor which showed high electron mobility (13 cm(2) V-1 s(-1)) at low operating voltage (1 V).
}, issn = {1359-7345}, doi = {10.1039/c3cc45391j}, author = {Arulkashmir, Arulraj and Jain, Bhanprakash and John, Jino C. and Roy, Kanak and Krishnamoorthy, Kothandam} } @article {46373, title = {Chemically stable urea based COF for size selective heterogeneous catalysis}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {FEB}, pages = {C1146}, type = {Meeting Abstract}, keywords = {chemical stability, Covalent organic framework, heterogeneous catalysis}, issn = {2053-2733}, author = {Basu, Arghya and Banerjee, Rahul} } @proceedings { ISI:000349165103353, title = {ChemInfoCloud: opensource based cloud compatible chemical textmining tools for harvesting largescale medical literature}, volume = {248}, year = {2014}, note = {248th National Meeting of the American-Chemical-Society (ACS), San Francisco, CA, AUG 10-14, 2014}, month = {AUG}, pages = {Meeting Abstract: 69-CINF}, publisher = {American Chemical Society}, type = {Meeting Abstract}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, issn = {0065-7727}, author = {Karthikeyan, Muthukumarasamy} } @article { ISI:000338089500001, title = {Chemistry of materials celebrates the 80th birthday of one of the premier "chemists of materials"}, journal = {Chemistry of Materials}, volume = {26}, number = {12}, year = {2014}, month = {JUN}, pages = {3593-3594}, publisher = {AMER CHEMICAL SOC}, type = {Editorial Material}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0897-4756}, doi = {10.1021/cm501763w}, author = {Prasad, Bhagavatula L. V and Buriak, Jillian M.} } @inbook {43325, title = {Chemoinformatics approach for the design and screening of focused virtual libraries}, booktitle = {Practical Chemoinformatics}, year = {2014}, pages = {93-131}, publisher = {Springer}, organization = {Springer}, chapter = {Chemoinformatics Approach for the Design and Screening of focused virtual libraries}, address = {India}, abstract = {
It is challenging to handle a large volume of molecular data without appropriate tools. Here, we describe the need and the approaches for the development of focussed virtual libraries to design efficient molecules and optimize them for lead generation. The experimental chemists and biologists are more interested in properties of chemicals and their response to biological system in both beneficial and adverse effects context rather than just their structures. In this chapter, the focus is to relate newly designed chemical structures to their predicted activity, property or toxicity. Property prediction tools save time, money and lives of experimental animals. They come in handy while taking informed decisions especially in certain cases involving pharmacodynamic studies of drug molecules in humans where there are inevitable ethical and safety concerns. Property prediction is an important component in virtual screening which is at the heart of drug design and the most important step where chemoinformatics plays a major role. The other fields where structure{\textendash}activity relation-based principles hold good for virtual screening are agrochemicals and environmental science, specifically the toxicity and biodegradability prediction of pollutant molecules. In this chapter, we will show how to design software tools to handle generation of focussed virtual libraries from a given set of molecules with common features, fragments or bioactivity spectrum.
}, doi = {10.1007/978-81-322-1780-0_2 }, author = {Karthikeyan, Muthukumarasamy and Vyas, Renu} } @article { ISI:000347602400004, title = {Chemoselective deprotection of N-allylic amines using DDQ}, journal = {Tetrahedron Letters}, volume = {55}, number = {52}, year = {2014}, month = {DEC}, pages = {7172-7176}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A highly chemoselective and simple method for the deprotection of N-allylic amines using DDQ has been developed. The use of DDQ in dichloromethane-water provides a mild and efficient one-step deallylation of a wide variety of orthogonally protected tertiary amine derivatives. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Chemoselective deprotection, DDQ, N-Allylic amines, Orthogonally protected tertiary amines}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.10.136}, author = {Kumar, Pradeep and Cherian, Shijo K. and Jain, Ruchi and Show, Krishanu} } @article {46374, title = {Chickpea Kunitz Inhibitor: a mechanistic basis for trypsin inhibition}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C271}, type = {Meeting Abstract}, keywords = {Chickpea, Kunitz Inhibitor, Protease}, issn = {2053-2733}, author = {Bendre, Ameya Dipak and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000332028200016, title = {Chiral poly(L-lactic acid) driven helical self-assembly of oligo(p-phenylenevinylene)}, journal = {Journal of Materials Chemistry C}, volume = {2}, number = {11}, year = {2014}, month = {MAR}, pages = {2051-2060}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The synthesis and self-assembly of a series of copolyesters incorporating varying mol ratios of an achiral oligo(p-phenylenevinylene) (OPV) into the backbone of a chiral poly(L-lactic acid) (PLLA) via high temperature solution blending is reported. The polymers were characterized by H-1 NMR spectroscopy and size exclusion chromatography (SEC) and their bulk properties were investigated by differential scanning calorimetry (DSC) and wide-angle X-ray diffraction (WXRD). The DSC and WXRD analyses confirmed the crystallinity and pi-pi stacking of the OPV units in the PLLA-OPV copolyester. Absorption, emission and lifetime-decay studies showed that the OPV chromophore was highly aggregated in the solid state. The solid powder samples of the copolyesters exhibited an intense, red shifted aggregate emission beyond 470 nm. Circular dichroism (CD) spectroscopy, scanning electron microscopy (SEM) and atomic force microscopy (AFM) studies revealed that the PLLA-OPV copolyester formed a self-assembled architecture, in which the helical organization of the achiral OPV segments was dictated by the chiral PLLA segments. The observed CD signal and AFM image accounted for the right-handed helical self-assembly of the OPV chromophore in the solid state. These results confirmed the effect of the chiral PLLA segment on tuning the OPV chromophore packing and supramolecular chirality in molecular aggregates. The methodology illustrated here provides opportunities for the design of a new class of hierarchical, self-assembled architectures, based on organic pi-conjugated materials and the manipulation of their optical properties.
}, issn = {2050-7526}, doi = {10.1039/c3tc32241f}, author = {Nisha, S. Kumari and Asha, S. K.} } @article { ISI:000344825300009, title = {Chiron approach to formal synthesis of both antipodes of cis 3-hydroxypipecolic acid}, journal = {Tetrahedron Letters}, volume = {55}, number = {47}, year = {2014}, month = {NOV}, pages = {6423-6426}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The efficient and practical formal syntheses of both enantiomers of cis 3-hydroxypipecolic acid were accomplished from cis aziridine-2-carboxylate as the common synthetic precursor. The key steps involved are stereo and regioselective aziridine ring opening, reductive cyclization and selective N-debenzylation over O-debenzylation reactions. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {3-Hydroxypipecolic acid, Aziridine ring opening, Aziridine-2-carboxylate, Piperidine alkaloids, Selective debenzylation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.09.118}, author = {Chavan, Subhash P. and Khairnar, Lalit B. and Chavan, Prakash N. and Dumare, Nilesh B. and Kalbhor, Dinesh B. and Gonnade, Rajesh G.} } @article { ISI:000331624700039, title = {Chitosan and chitosan-co-poly(epsilon-caprolactone) grafted multiwalled carbon nanotube transducers for vapor sensing}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {14}, number = {3}, year = {2014}, month = {MAR}, pages = {2425-2435}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Vapor sensitive transducer films consisting of chitosan grafted (CNT-CS) and chitosan-co-polycaprolactone grafted (CNT-CS-PCL) multiwalled carbon nanotubes were prepared using a spray layer-by-layer technique. The synthesized materials (CNT-CS and CNT-CS-PCL) were characterized by Fourier transform infrared spectroscopy, C-13 CP/MAS solid state nuclear magnetic resonance spectroscopy and thermogravimetric analysis. Both CNT-CS and CNT-CS-PCL transducers were analyzed for the response of volatile organic compounds and toluene vapors. The ranking of the relative resistance (A(r)) for both chitosan based transducers were as follows: toluene \< chloroform \< ethanol \< methanol. The CNT transducer (CNT-CS) was correlated selectively with an exponential law to the inverse of Flory-Huggins interaction parameters, chi(12). Dosing the films on the interdigitated electrodes with methanol, ethanol, chloroform and toluene vapors increased the film resistance of CNT-CS but decreased the resistance of CNT-CS-PCL compared to that of the reported transducers.
}, keywords = {Biocompatibility, Chitosan, MWCNTs, Poly(epsilon-caprolactone), Vapour Sensing}, issn = {1533-4880}, doi = {10.1166/jnn.2014.8498}, author = {Rana, Vijay Kumar and Akhtar, Shamim and Chatterjee, Sudipta and Mishra, Satyendra and Singh, Raj Pal and Ha, Chang-Sik} } @article { ISI:000342018100001, title = {Cholesterol depletion by methyl-beta-cyclodextrin augments tamoxifen induced cell death by enhancing its uptake in melanoma}, journal = {Molecular Cancer}, volume = {13}, year = {2014}, month = {SEP}, pages = {Article No. 204}, publisher = {BIOMED CENTRAL LTD}, type = {Article}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {
Background: Despite modern advances in treatment, skin cancer is still one of the most common causes of death in the western countries. Chemotherapy plays an important role in melanoma management. Tamoxifen has been used either alone or in-combination with other chemotherapeutic agents to treat melanoma. However, response rate of tamoxifen as a single agent has been comparatively low. In the present study, we investigated whether treatment with methyl-beta-cyclodextrin (MCD), a cholesterol depleting agent, increases the efficacy of tamoxifen in melanoma cells. Methods: This was a two-part study that incorporated in vitro effects of tamoxifen and MCD combination by analyzing cell survival, apoptosis and cell cycle analysis and in vivo antitumor efficacy on tumor isografts in C57BL/6J mice. Results: MCD potentiated tamoxifen induced anticancer effects by causing cell cycle arrest and induction of apoptosis. Sensitization to tamoxifen was associated with down regulation of antiapoptotic protein Bcl-2, up-regulation of proapoptotic protein Bax, reduced caveolin-1 (Cav-1) and decreased pAkt/pERK levels. Co-administration of tamoxifen and MCD caused significant reduction in tumor volume and tumor weight in mice due to enhancement of drug uptake in the tumor. Supplementation with cholesterol abrogated combined effect of tamoxifen and MCD. Conclusion: Our results emphasize a potential synergistic effect of tamoxifen with MCD, and therefore, may provide a unique therapeutic window for improvement in melanoma treatment.
}, keywords = {Caveolin-1, Cholesterol, Methyl beta-cyclodextrin, Tamoxifen}, issn = {1476-4598}, doi = {10.1186/1476-4598-13-204}, author = {Mohammad, Naoshad and Malvi, Parmanand and Meena, Avtar Singh and Singh, Shivendra Vikram and Chaube, Balkrishna and Vannuruswamy, Garikapati and Kulkarni, Mahesh J. and Bhat, Manoj Kumar} } @article { ISI:000333226900011, title = {Cholesterol modulates the dimer interface of the beta(2)-adrenergic receptor via cholesterol occupancy sites}, journal = {Biophysical Journal}, volume = {106}, number = {6}, year = {2014}, month = {MAR}, pages = {1290-1300}, publisher = {CELL PRESS}, type = {Article}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, abstract = {
The beta(2)-adrenergic receptor is an important member of the G-protein-coupled receptor (GPCR) superfamily, whose stability and function are modulated by membrane cholesterol. The recent high-resolution crystal structure of the beta(2)-adrenergic receptor revealed the presence of possible cholesterol-binding sites in the receptor. However, the functional relevance of cholesterol binding to the receptor remains unexplored. We used MARTINI coarse-grained molecular-dynamics simulations to explore dimerization of the beta(2)-adrenergic receptor in lipid bilayers containing cholesterol. A novel (to our knowledge) aspect of our results is that receptor dimerization is modulated by membrane cholesterol. We show that cholesterol binds to transmembrane helix IV, and cholesterol occupancy at this site restricts its involvement at the dimer interface. With increasing cholesterol concentration, an increased presence of transmembrane helices I and II, but a reduced presence of transmembrane helix IV, is observed at the dimer interface. To our knowledge, this study is one of the first to explore the correlation between cholesterol occupancy and GPCR organization. Our results indicate that dimer plasticity is relevant not just as an organizational principle but also as a subtle regulatory principle for GPCR function. We believe these results constitute an important step toward designing better drugs for GPCR dimer targets.
}, issn = {0006-3495}, doi = {10.1016/j.bpj.2014.02.002}, author = {Prasanna, Xavier and Chattopadhyay, Amitabha and Sengupta, Durba} } @article { ISI:000330822900026, title = {Clay encapsulated Cu(OH)(x) promoted homocoupling of arylboronic acids: an efficient and eco-friendly protocol}, journal = {Applied Catalysis A-General}, volume = {470}, year = {2014}, month = {JAN}, pages = {232-238}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Cu(OH)(x) has been encapsulated over montmorillonite-KSF by simple ologomeric deposition strategy. The resulting catalyst has been employed for selective homocoupling of arylboronic acids under ambient conditions without requirement of any ligand or base. This catalyst is easy to recover and shows excellent reusability without losing its activity. Techniques like XRD, SEM, TPR, IR, BET surface area measurement and XPS were used to characterize the catalyst. The present method promises for the simple and clean homocoupling of arylboronic acids. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Biaryls, clay, Copper, Heterogenous catalyst, Homocoupling}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.10.048}, author = {Dar, Bashir Ahmad and Singh, Snehil and Pandey, Nalini and Singh, A. P. and Sharma, Priti and Lazar, Anish and Sharma, Meena and Vishwakarma, Ram A. and Singh, Baldev} } @article { ISI:000340872300007, title = {Clay-supported copper nitrate (Claycop): a mild reagent for the selective nitration of aromatic olefins}, journal = {Synlett}, volume = {25}, number = {14}, year = {2014}, month = {SEP}, pages = {1997-2000}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A straightforward and highly selective method has been developed for the nitration of a wide variety of aromatic and aliphatic olefins by using a clay-supported copper nitrate (Claycop) and a catalytic amount of (2,2,6,6-tetramethylpiperidin-1-yl)oxyl, an inexpensive and mild reagent system. High conversions and exclusive E-selectivity, together with the environmentally benign nature of the Claycop reagent, make this a green method and an attractive alternative to established methods.
}, keywords = {alkenes, nitrations}, issn = {0936-5214}, doi = {10.1055/s-0034-1378513}, author = {Begari, Eeshwaraiah and Singh, Chandani and Nookaraju, U. and Kumar, Pradeep} } @article {46397, title = {Cocrystals/salts of Furosemide : Interesting case of colour cocrystal polymorphism}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C724}, type = {Meeting Abstract}, keywords = {Color cocrystal polymorphism, Sandwich assembly, Stacking interactions}, issn = {2053-2733}, author = {Sangtani, Ekta and Jha, Kunal and Munshi, Parthapratim and Gonnade, Rajesh} } @article { ISI:000333089400003, title = {Co(III)(salen)-catalyzed phenolic kinetic resolution of two stereocentered benzyloxy and azido epoxides: its application in the synthesis of ICI-118,551, an anti-hypertensive agent}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {15}, year = {2014}, month = {FEB}, pages = {2349-2355}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The salen Co(III)-catalyzed phenolic kinetic resolution of racemic anti- or syn-azido and benzyloxy epoxides provides a practical route to a range of enantioenriched anti-or syn-1-aryloxy-3-azido or benzyloxy-2-alcohols in excellent yields and ees. The synthetic potential of this protocol is illustrated with an enantioselective synthesis of ICI-118,551, a beta-blocker, in a highly optically pure form (99\% ee).
}, issn = {1477-0520}, doi = {10.1039/c3ob42501k}, author = {Karabal, Pratibha U. and Kamble, Dayanand A. and Sudalai, Arumugam} } @article { ISI:000342257000011, title = {Co-immobilized glucose oxidase and beta-galactosidase on bovine serum albumin coated allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymer as a biosensor for lactose determination in milk}, journal = {Enzyme and Microbial Technology}, volume = {64-65}, year = {2014}, month = {OCT}, pages = {67-73}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Bovine serum albumin (BSA) was adsorbed on allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymer with 25\% crosslink density (AGE-25) at pH 8.0 (16\% w/w). The amino, thiol and carboxylic acid functional groups available on protein coated surface were utilized for covalent immobilization of glucose oxidase and beta-galactosidase, both independently, and in a step-wise manner on the same matrix, with no more than 10\% loss of enzyme activity during immobilization. Glutaraldehyde cross-linking after immobilization provided stable enzyme preparations. The pH-optima of the immobilized enzymes were similar to those for free enzyme but their thermal stability was vastly improved. The co-immobilized enzyme support was used as a biosensor for determination of lactose in milk with excellent reproducibility and reusability. (C) 2014 Elsevier Inc. All rights reserved.
}, keywords = {beta-Galactosidase, Bovine serum albumin, Glucose oxidase, Immobilization, Lactose assay}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2014.07.005}, author = {Jasti, Lakshmi Swarnalatha and Dola, Sandhya Rani and Fadnavis, Nitin W. and Addepally, Uma and Daniels, Siona and Ponrathnam, Surendra} } @article { ISI:000333724000022, title = {Combined gasification of lignite coal: thermodynamic and application study}, journal = {Journal of the Taiwan Institute of Chemical Engineers}, volume = {45}, number = {1}, year = {2014}, month = {JAN}, pages = {163-173}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Combined gasification (a combination of steam gasification and CO2 gasification) without air is an important process for research in coal gasification to reduce the steam generation energy in the gasification system and also to enhance the slow CO2 gasification reaction. A thermodynamic study involving the effect of temperature, pressure and feed CO2 and steam ratios in gasification of lignite coal was studied in this paper. The product generation trends of syngas and methane with carbon (in coal) conversion were studied in detail. The carbon (in lignite coal) was converted completely at a lower temperature than pure carbon in the combined gasification. Some applications of the gasifier product gas were also studied. Combined gasification offers great advantages to produce syngas of exact ratio in one step for use in petrochemical manufacture and fuel cell systems. The complete carbon (in coal) conversion occurred beyond the thermoneutral gasification temperature in the study. The combined gasification process was a useful way for CO2 utilization reducing the net CO2 emission to the atmosphere. (C) 2013 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
}, keywords = {CO2 utilization, Coal gasification, Coal to syngas, Combined gasification, Thermodynamic study}, issn = {1876-1070}, doi = {10.1016/j.jtice.2013.04.015}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D. and Chavan, Rank N.} } @article { ISI:000334476100013, title = {Comparative study on the dye sensitized solar cell performance of solution processed ZnO}, journal = {Solar Energy}, volume = {102}, year = {2014}, month = {APR}, pages = {143-151}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We have monitored the performance of the dye-sensitized solar cells (DSSC) using solution processed ZnO having different shapes and aspect ratios. The aspect ratio and surface area of the ZnO structures have been regulated by carefully controlling the precursor concentration and reaction conditions. The shape of the synthesized structures has been varied from larger rods to smaller rods to hexagonal prisms. The synthesized hexagonal prism shaped ZnO with an aspect ratio of around one exhibited the highest surface area of 42 m(2)/g. The ZnO rods with higher aspect ratios of 5 and 16 exhibited lower surface areas of 22 and 2 m(2)/g, respectively. The dye sensitized solar cells constructed using the as-prepared ZnO structures and N719 dye molecules, exhibited efficiencies that varied as a function of surface area of the samples, with ZnO hexagonal prism exhibiting a maximum efficiency of around 1.38 +/- 0.01\%. The results indicated a direct correlation between the surface area of the ZnO structures and the energy conversion efficiency. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {DSSC, Photoanode, surface area, ZnO}, issn = {0038-092X}, doi = {10.1016/j.solener.2014.01.011}, author = {Jana, Arpita and Das, Partha Pratim and Agarkar, Shruti A. and Devi, P. Sujatha} } @article { ISI:000335706100026, title = {Comparison of polymer induced and solvent induced trypsin denaturation: the role of hydrophobicity}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {116}, year = {2014}, month = {APR}, pages = {201-205}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Trypsin adsorption from aqueous buffer by various copolymers of allyl glycidyl ether-ethylene glycol dimethacrylate (AGE-EGDM) copolymer with varying crosslink density increases with increasing crosslink density and the effect slowly wears off after reaching a plateau at 50\% crosslink density. The copolymer with 25\% crosslink density was reacted with different amines with alkyl/aryl side chains to obtain a series of copolymers with 1,2-amino alcohol functional groups and varying hydrophobicity. Trypsin binding capacity again increases with hydrophobicity of the reacting amine and a good correlation between logP(octanol) of the amine and protein binding is observed. The bound trypsin is denatured to the extent of 90\% in spite of the presence of hydrophilic hydroxyl and amino groups. The behavior was comparable to that in mixtures of aqueous buffer and water-miscible organic co-solvents where the solvent concentration required to deactivate 50\% of the enzyme (C-50) is dependent on logP(octanol) of the co-solvent. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Adsorption, Denaturation, Hydrophobicity, Polymer, Trypsin}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2014.01.002}, author = {Jasti, Lakshmi Swarnalatha and Fadnavis, Nitin W. and Addepally, Uma and Daniels, Siona and Deokar, Sarika Babasaheb and Ponrathnam, Surendra} } @article { ISI:000329299200005, title = {Comparison of sodium zirconium phosphate and calcium zirconium phosphate structures for the retention of fluoride}, journal = {Journal of Radioanalytical and Nuclear Chemistry}, volume = {299}, number = {1}, year = {2014}, month = {JAN}, pages = {19-24}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Fluoride anion interaction has been explored for the first time to investigate how the structure of sodium zirconium phosphate (NZP) and calcium zirconium phosphate (CZP) can be altered in its presence. Different compositions were made by adding NaF and CaF2 in CZP and NZP matrices respectively. Fluoride interaction differs with NZP and CZP structure as suggested by F-NMR data. The addition of fluoride to the NZP or CZP structure enables to stabilize the structure at a low temperature of 600-700 A degrees C under microwave conditions.
}, keywords = {F-NMR, Fluoride characterization, Microwave, NZP, PIGE}, issn = {0236-5731}, doi = {10.1007/s10967-013-2741-2}, author = {Dey, Ambarish and Das Gupta, Amit and Basu, Debrata and Ambashta, Ritu D. and Wattal, P. K. and Kumar, Sanjiv and Body, Monique and Rajamohanan, P. R.} } @conference { ISI:000349165104705, title = {Complex absorbing potential based coupled-cluster methods to metastable states}, booktitle = { 248th National Meeting of the American-Chemical-Society (ACS)}, volume = {248}, year = {2014}, note = {248th National Meeting of the American-Chemical-Society (ACS), San Francisco, CA, AUG 10-14, 2014}, month = {AUG}, pages = {Meeting Abstract: 504-COMP}, publisher = {American Chemical Society}, organization = {American Chemical Society}, type = {Meeting Abstract}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, issn = {0065-7727}, author = {Pal, Sourav} } @article { ISI:000344589700016, title = {Complex absorbing potential based equation-of-motion coupled cluster method for the potential energy curve of CO2- anion}, journal = {Journal of Chemical Physics}, volume = {141}, number = {16}, year = {2014}, month = {OCT}, pages = {Article No. 164113}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
The equation-of-motion coupled cluster method employing the complex absorbing potential has been used to investigate the low energy electron scattering by CO2. We have studied the potential energy curve for the (2)Pi(u) resonance states of CO2- upon bending as well as symmetric and asymmetric stretching of the molecule. Specifically, we have stretched the C-O bond length from 1.1 angstrom to 1.5 angstrom and the bending angles are changed between 180 degrees and 132 degrees. Upon bending, the low energy (2)Pi(u) resonance state is split into two components, i.e., (2)A(1), B-2(1) due to the Renner-Teller effect, which behave differently as the molecule is bent. (c) 2014 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4899280}, author = {Ghosh, Aryya and Vaval, Nayana and Pal, Sourav and Bartlett, Rodney J.} } @article { ISI:000349902200001, title = {Computational investigation on the catalytic activity of Rh-6 and Rh4Ru2 clusters towards methanol activation}, journal = {Theoretical Chemistry Accounts }, volume = {134}, number = {1}, year = {2014}, month = {DEC}, pages = {1597}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Catalysis of molecular activation of small molecules through scission of strong chemical bonds is one of the major challenges faced by chemists. More specifically, activation of the strong C-H and O-H bonds of various alcohols, especially methanol, is one of the various important intermediate steps of key organic reactions. Our present work explores a suitable metal cluster catalyst towards methanol dissociation. In particular, we have examined the effect of ruthenium doping (Rh:Ru = 2:1) on the catalytic activity of Rh-6 cluster towards methanol dissociation. Density functional theory-based calculations illustrate two competitive pathways for methanol dissociation, which are via O-H and C-H bond breaking. Both the pathways are found to be energetically favourable in the presence of bimetallic and mono-metallic clusters. Importantly, energy barrier for O-H bond dissociation reduces considerably in doped cluster as compared to pure Rh-6 cluster and is smaller than the values reported for a number of other small metallic clusters.
}, keywords = {Bimetallic Clusters, Density Functional Theory (DFT), Doping, Methanol Activation, Rhodium Clusters}, issn = {1432-881X}, doi = {10.1007/s00214-014-1597-z}, author = {Ghatak, Kamalika and Sengupta, Turbasu and Krishnamurty, Sailaja and Pal, Sourav} } @article { ISI:000342927000001, title = {Concise account of the chemistry of valuable alkyl(methyl)maleic anhydrides}, journal = {Synthesis-Stuttgart}, volume = {46}, number = {20}, year = {2014}, month = {OCT}, pages = {2683-2700}, publisher = {GEORG THIEME VERLAG KG}, type = {Review}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A large number of significant bioactive natural and synthetic alkyl(methyl)maleic anhydrides are known in the contemporary literature. A broad range of suitably functionalized substrates have been tailored to accomplish concise and efficient syntheses of an array of alkyl(methyl)maleic anhydrides employing a variety of elegant synthetic strategies. This review presents a brief literature account of the isolation and activity of these important target compounds with a special emphasis on their synthesis.
}, keywords = {alkyl(methyl)maleic anhydrides, bioactivity, dimethylmaleic anhydride, isolation, nucleophilic reactions, Total synthesis}, issn = {0039-7881}, doi = {10.1055/s-0034-1378665}, author = {Deore, Prashant S. and Haval, Kishan P. and Gadre, Smita R. and N. P. Argade} } @article { ISI:000338184000007, title = {Concise account of various approaches for stereoselective construction of the C-20(H) stereogenic center in steroid side chain}, journal = {Chemical Reviews}, volume = {114}, number = {12}, year = {2014}, month = {JUN}, pages = {6349-6382}, publisher = {AMER CHEMICAL SOC}, type = {Review}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0009-2665}, doi = {10.1021/cr4004083}, author = {Shingate, Bapurao B. and Hazra, Braja G.} } @article { ISI:000328606500015, title = {Concise enantioselective syntheses of (+)-L-733,060 and (2S,3S)-3-hydroxypipecolicw acid by cobalt(III)(salen)-catalyzed two-stereocenter hydrolytic kinetic resolution of racemic azido epoxides}, journal = {Synlett}, volume = {25}, number = {1}, year = {2014}, month = {JAN}, pages = {102-104}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
An efficient synthesis of the 2,3-disubstituted piperidines (+)-L-733,060 and (2S,3S)-3-hydroxypipecolic acid (99\% ee) in high optical purity from commercially available starting materials is described. The strategy involves a cobalt-catalyzed hydrolytic kinetic resolution of a racemic azido epoxide with two stereocenters and an intramolecular reductive cyclization as key reactions.
}, keywords = {azides, cyclizations, epoxides, piperidines, stereoselective synthesis, Wittig reactions}, issn = {0936-5214}, doi = {10.1055/s-0033-1340074}, author = {Devalankar, Dattatray A. and Chouthaiwale, Pandurang V. and Sudalai, Arumugam} } @article {45960, title = {Concise synthetic approach toward tamiflu (oseltamivir phosphate): cis-aziridine as the key synthon and RCM}, journal = {RSC Advances}, volume = {4}, year = {2014}, month = {FEB}, pages = {11417-11419}, type = {Article}, abstract = {A synthesis of oseltamivir (Tamiflu) was achieved starting from D-mannitol. A unique feature of the synthetic route is that an acyclic precursor was constructed, which was then cyclized in an intramolecular aldol reaction to form the Tamiflu skeleton. Throughout the synthesis, well-established, highly efficient reactions were employed, and no protection/deprotection sequence was needed.}, issn = { 2046-2069}, doi = {http://dx.doi.org/10.1039/C3RA47210H}, author = {Chavan, S. P. and Chavan, P. N. and Khairnar, L. B.} } @article { ISI:000332388900042, title = {Confined space synthesis of fully alloyed and sinter-resistant AuPd nanoparticles encapsulated in porous silica}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {12}, year = {2014}, month = {JAN}, pages = {4398-4405}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Facile synthesis of highly sinter-resistant silica encapsulated Au-Pd alloy nanocatalysts with average particle size stabilized at similar to 4.5 nm even after calcination at 750 degrees C temperature is reported. The synthesis was achieved by utilizing thiol protected ultra small clusters of Au and Pd as precursors for silica encapsulation. The presence of intimate mixtures of the clusters within silica encapsulation ensures the formation of fully alloyed nanoparticles at high temperatures, at the same time controlling further growth and sintering. At optimum alloy compositions, these catalysts showed high catalytic activity for CO oxidation displaying low light-off temperatures.
}, issn = {2050-7488}, doi = {10.1039/c3ta15194h}, author = {Samanta, Anupam and Rajesh, Thattarathody and Devi, R. Nandini} } @article { ISI:000331895900018, title = {Conformational modulation of peptide secondary structures using beta-aminobenzenesulfonic acid}, journal = {Chemical Communications}, volume = {50}, number = {22}, year = {2014}, month = {JAN}, pages = {2886-2888}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This communication describes the influence of beta-aminobenzenesulfonic acid ((S)Ant) on the conformational preferences of hetero foldamers. The designed (Aib-(S)Ant-Aib)(n) and (Aib-(S)Ant-Pro)(n) oligomers display a well-defined folded conformation featuring intramolecular mixed hydrogen bonding (7/11) and intra-residual (6/5) H-bonding interactions, respectively.
}, issn = {1359-7345}, doi = {10.1039/c3cc48850k}, author = {Kale, Sangram S. and Kunjir, Shrikant M. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000334147300006, title = {Conformational transitions of cinnamoyl CoA reductase 1 from leucaena leucocephala}, journal = {International Journal of Biological Macromolecules }, volume = {64}, year = {2014}, month = {MAR}, pages = {30-35}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Conformational transitions of cinnamoyl CoA reductase, a key regulatory enzyme in lignin biosynthesis, from Leucaena leucocephala (L1-CCRH1) were studied using fluorescence and circular dichroism spectroscopy. The native protein possesses four trp residues exposed on the surface and 66\% of helical structure, undergoes rapid structural transitions at and above 45 C and starts forming aggregates at 55 C. LI-CCRH1 was transformed into acid induced (pH 2.0) molten globule like structure, exhibiting altered secondary structure, diminished tertiary structure and exposed hydrophobic residues. The molten globule like structure was examined for the thermal and chemical stability. The altered secondary structure of Ll -CCRH1 at pH 2.0 was stable up to 90 C. Also, in presence of 0.25 M guanidine hydrochloride (GdnHCI), it got transformed into different structure which was stable in the vicinity of 2 M GdnHCI (as compared to drastic loss of native structure in 2 M GdnHC1) as seen in far UV-CD spectra. The structural transition of LI-CCRH1 at pH 2.0 followed another transition after readjusting the pH to 8.0, forming a structure with hardly any similarity to that of native protein. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Aggregation Cinnamoyl CoA reductase, Conformation, Molten globule, Thermostability, Unfolding}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.11.024}, author = {Sonawane, Prashant D. and Khan, Bashir Mohammad and Gaikwad, Sushama M.} } @article {46386, title = {Construction of highly crystalline ultraporous covalent organic frameworks in seconds}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {APR}, pages = {C456}, type = {Meeting Abstract}, keywords = {COFs, Crystalline, Ultraporous}, issn = {2053-2733}, author = {Karak, Suvendu and Banerjee, Rahul} } @article { ISI:000332804700003, title = {Contemporary avenues in catalytic P-H bond addition reaction: a case study of hydrophosphination}, journal = {Coordination Chemistry Reviews}, volume = {265}, year = {2014}, month = {APR}, pages = {52-73}, publisher = {ELSEVIER SCIENCE SA}, type = {Review}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Remarkable advances and current state-of-the-art developments in catalytic hydrophosphination of alkenes and alkynes are reviewed. The challenges in constructing a C P bond with a special emphasis on metal catalysed (asymmetric) hydrophosphination are highlighted. Only those systems that unambiguously proceed via P H bond addition across a C-C/X (X = O, N, S) multiple bond have been covered in this overview. Reviewed examples support the assumption that either strongly chelating ligands or reaction products that act as ligands, enhance the rate of hydrophosphination. The asymmetric variant of this transformation allows installation of p-chiral [enantiomeric excess (ee) up to 82\%] as well as C-chiral (ee up to 99\%) centres. The limited spectroscopic, mechanistic data and OFT calculations point at two distinctly different mechanisms. In case of hydrophosphination, the metal undergoes oxidative addition and reductive elimination steps (in general), thus changing the oxidation state from M(0) to M(II) and back to M(0). Whereas in asymmetric hydrophosphination it is proposed that the oxidation state of the metal remains unaltered throughout the catalytic cycle. The examples described in this overview showcase the real power of catalytic hydrophosphination in constructing various phosphorus compounds, which may initiate a new era in organo-phosphorus chemistry. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Alkynes, Asymmetric hydrophosphination, Hydrophosphination, Metal catalyzed hydrophosphination, Olefins, P-H bond addition}, issn = {0010-8545}, doi = {10.1016/j.ccr.2014.01.006}, author = {Koshti, Vijay and Gaikwad, Shahaji R. and Chikkali, Samir H.} } @article { ISI:000332784900001, title = {Continuous flow nitration in miniaturized devices}, journal = {Beilstein Journal of Organic Chemistry}, volume = {10}, year = {2014}, month = {FEB}, pages = {405-424}, publisher = {BEILSTEIN-INSTITUT}, type = {Review}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {
This review highlights the state of the art in the field of continuous flow nitration with miniaturized devices. Although nitration has been one of the oldest and most important unit reactions, the advent of miniaturized devices has paved the way for new opportunities to reconsider the conventional approach for exothermic and selectivity sensitive nitration reactions. Four different approaches to flow nitration with microreactors are presented herein and discussed in view of their advantages, limitations and applicability of the information towards scale-up. Selected recent patents that disclose scale-up methodologies for continuous flow nitration are also briefly reviewed.
}, keywords = {continuous flow, flow chemistry, microreactors, nitration, nitric acid, Tubular reactor}, issn = {1860-5397}, doi = {10.3762/bjoc.10.38}, author = {Kulkarni, Amol A.} } @article { ISI:000346134300012, title = {Continuous-flow meerwein arylation}, journal = {Journal of Flow Chemistry}, volume = {4}, number = {4}, year = {2014}, month = {DEC}, pages = {211-216}, publisher = {AKADEMIAI KIADO RT}, type = {Article}, address = {PRIELLE K U 19, PO BOX 245,, H-1117 BUDAPEST, HUNGARY}, abstract = {
The continuous-flow Meerwein arylation is demonstrated for a set of few aryl donors (anilines and m-aminoacetophenone) and specific radical acceptors. Homogeneous catalyst (CuBr in HBr and CuCl in HCl) was used to facilitate the reaction. The effect of parameters, viz., temperature, catalyst concentration, residence time, and concentration of the radical acceptor on the yield of the arylated product, was studied. The yield of the aryl derivative obtained by continuous-flow syntheses was always better than the respective experiments in batch mode. Flow synthesis allows easy variation in these parameters and thus allows going close to the maximum possible yields in a system where the relative rates of different reactions create a complex situation. Temperature plays a crucial role by affecting the rates as well as by governing the system homogeneity. The nitrogen bubbles generated in the reaction helped to avoid any channel blockage.
}, keywords = {diazonium salt, flow chemistry, homogeneous catalyst, Meerwein arylation, micromixer, multistep synthesis}, issn = {2062-249X}, doi = {10.1556/JFC-D-14-00023}, author = {Bhaya, Vinay G. and Joshi, Ramesh A. and Kulkarni, Amol A.} } @article { ISI:000330489500002, title = {Controlled release of antimicrobial Cephalexin drug from silica microparticles}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {34}, year = {2014}, month = {JAN}, pages = {9-14}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Release of antimicrobial drugs in a controlled fashion for extended duration of time has been investigated for long. Such controlled-drug-releasing materials show promising applications in medicinal bandages. Along with antimicrobial agents, one could also incorporate other therapeutic drugs, to make such bandages more versatile. In this context, silica micro particles were synthesized using direct reduction method, in which the synthesis was done in the presence of Cephalexin. Cephalexin was chosen as an antimicrobial candidate. The morphological characterization shows formation of monodispersed, silica microparticles of similar to 200 nm in size. The FTIR spectroscopy shows weak interaction of the drug molecule at its hydroxide (OH) site with oxygen ions on the silica surface. Upon conjugation, the UV-vis spectroscopy shows persistence of the Cephalexin signature, especially its R group, confirming its antimicrobial activity even after conjugation. Loading studies reveal 12\% Cephalexin loading on silica. The antimicrobial studies were done on three micro-organisms, namely, Staphylococcus aureus, Bacillus subtilis and Escherichia coli. Using zone-of-inhibition studies, it was found that E. coli, did not respond to the delivery of Cephalexin either directly or via microparticles. However, for both S. aureus and B. subtilis, the particles showed controlled release of Cephalexin for the duration of 48 h and continued maintenance and even increase in the zone of inhibition. This work demonstrates an effective protocol to prepare antimicrobial patches for controlled drug delivery. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Antimicrobial, Medicinal bandage, Silica microparticles, sustained drug release}, issn = {0928-4931}, doi = {10.1016/j.msec.2013.10.002}, author = {Rao, B. V. Bhaskara and Mukherji, Ruchira and Shitre, G. and Alam, F. and Prabhune, Asmita and Kale, Sangeeta N.} } @article { ISI:000334572800050, title = {Controlling the cell adhesion property of silk films by graft polymerization}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {7}, year = {2014}, month = {APR}, pages = {5005-5011}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report here a graft polymerization method to improve the cell adhesion property of Bombyx mori silk fibroin films. B. mori silk has evolved as a promising material for tissue engineering because of its biocompatibility and biodegradability. However, silk{\textquoteright}s hydrophobic character makes cell adhesion and proliferation difficult. Also, the lack of sufficient reactive amino acid residues makes biofunctionalization via chemical modification challenging. Our study describes a simple method that provides increased chemical handles for tuning of the surface chemistry of regenerated silk films (SFs), thus allowing manipulation of their bioactivity. By grafting pAAc and pHEMA via plasma etching, we have increased carboxylic acid and hydroxyl groups on silk, respectively. These modifications allowed us to tune the hydrophilicity of SFs and provide functional groups for bioconjugation. Our strategy also allowed us to develop silk-based surface coatings, where spatial control over cell adhesion can be achieved. This control over cell adhesion in a particular region of the SFs is difficult to obtain via existing methods of modifying the silk fibroin instead of the SF surface. Thus, our strategy will be a valuable addition to the toolkit of biofunctionalization for enhancing SFs{\textquoteright} tissue engineering applications.
}, keywords = {Bombyx mori, polymer grafting cell adhesion, silk films}, issn = {1944-8244}, doi = {10.1021/am4060595}, author = {Dhyani, Vartika and Singh, Neetu} } @article {43370, title = {Conversion of hemicellulose using acidic ionic liquids}, number = {PCT/IN2015/050007}, year = {2014}, month = {JAN}, abstract = {The present invention discloses one pot process for the conversion of hemicellulose into C5 sugars using ionic liquids in water media.}, author = {Dhepe, Paresh Laxmikant and Matsagar, Babasaheb Mansub} } @article { ISI:000338988800008, title = {Copper(I) bromide-catalyzed carbonylative coupling of aryl halides with phenols, alcohols and amines using sodium cyanide as C-1 source: a synthesis of carboxylic acid derivatives}, journal = {Advanced Synthesis \& Catalysis}, volume = {356}, number = {10}, year = {2014}, month = {JUL}, pages = {2231-2238}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A new {\textquoteleft}{\textquoteleft}carbon monoxide-free{\textquoteright}{\textquoteright} synthesis of carboxylate derivatives via carbonylative coupling of aryl bromides with phenols, alcohols, amines and acids in the presence of copper(I) bromide as catalyst and sodium cyanide in a stoichiometric amount has been developed. Its intramolecular version provides for the preparation of lactones (e.g., isochroman-1-ones and isobenzfuranones), imides, anhydrides and lactams in excellent yields (73-96\%).
}, keywords = {anhydrides, C-1 building blocks, isochroman-1-ones, lactams, lactones}, issn = {1615-4150}, doi = {10.1002/adsc.201301155}, author = {Prasad, Pragati K. and Sudalai, Arumugam} } @article { ISI:000344793700010, title = {Correlation of the solid-state reactivities of racemic 2,4(6)-di-O-benzoyl-myo-inositol 1,3,5-orthoformate and its 4,4 {\textquoteleft}-bipyridine cocrystal with their crystal structures}, journal = {Acta Crystallographica Section C-Structural Chemistry}, volume = {70}, number = {11}, year = {2014}, month = {NOV}, pages = {1040+}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Racemic 2,4(6)-di-O-benzoyl-myo-inositol 1,3,5-orthoformate, C21H18O8, (1), shows a very efficient intermolecular benzoyl-group migration reaction in its crystals. However, the presence of 4,4 {\textquoteleft}-bipyridine molecules in its cocrystal, C21H18O8 center dot C10H8N2, (1)center dot BP, inhibits the intermolecular benzoyl-group transfer reaction. In (1), molecules are assembled around the crystallographic twofold screw axis (b axis) to form a helical self-assembly through conventional O-H center dot center dot center dot O hydrogen-bonding interactions. This helical association places the reactive C6-O-benzoyl group (electrophile, El) and the C4-hydroxy group (nucleophile, Nu) in proximity, with a preorganized El center dot center dot center dot Nu geometry favourable for the acyl transfer reaction. In the cocrystal (1)center dot BP, the dibenzoate and bipyridine molecules are arranged alternately through OH center dot center dot center dot N interactions. The presence of the bipyridine molecules perturbs the regular helical assembly of the dibenzoate molecules and thus restricts the solid-state reactivity. Hence, unlike the parent dibenzoate crystals, the cocrystals do not exhibit benzoyl-transfer reactions. This approach is useful for increasing the stability of small molecules in the crystalline state and could find application in the design of functional solids.
}, keywords = {acyl transfer, cocrystal, crystal structure, design of functional solids, helical assembly, hydrogen bonding, myo-inositol, solid-state reactions}, issn = {0108-2701}, doi = {10.1107/S2053229614021834}, author = {Tamboli, Majid I. and Bahadur, Vir and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000332716400001, title = {Counter-ion dependent, longitudinal unzipping of multi-walled carbon nanotubes to highly conductive and transparent graphene nanoribbons}, journal = {Scientific Reports}, volume = {4}, year = {2014}, month = {MAR}, pages = {Article No. : 4363}, publisher = {NATURE PUBLISHING GROUP}, type = {Article}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
Here we report for the first time, a simple hydrothermal approach for the bulk production of highly conductive and transparent graphene nanoribbons (GNRs) using several counter ions from K2SO4, KNO3, KOH and H2SO4 in aqueous media, where, selective intercalation followed by exfoliation gives highly conducting GNRs with over 80\% yield. In these experiments, sulfate and nitrate ions act as a co-intercalant along with potassium ions resulting into exfoliation of multi-walled carbon nanotubes (MWCNTs) in an effective manner. The striking similarity of experimental results in KOH and H2SO4 that demonstrates partially damaged MWCNTs, implies that no individual K+, SO42- ion plays a key role in unwrapping of MWCNTs, rather this process is largely effective in the presence of both cations and anions working in a cooperative manner. The GNRs can be used for preparing conductive 16 k Omega sq(-1), transparent (82\%) and flexible thin films using low cost fabrication method.
}, issn = {2045-2322}, doi = {10.1038/srep04363}, author = {Shinde, Dhanraj B. and Majumder, Mainak and Pillai, Vijayamohanan K.} } @article { ISI:000341579600004, title = {Coupled cluster methods for autoionisation resonances}, journal = {International Reviews in Physical Chemistry}, volume = {33}, number = {3}, year = {2014}, month = {SEP}, pages = {397-425}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
The quantum chemical calculation of autoionisation resonances in many-electron systems is a highly challenging task due to the ionisation continuum involved. Recently, advances were reported where conventionally used ab initio codes can be employed to compute autoionisation resonances. This is made possible by the use of analytical continuation tools such as complex scaling and complex absorbing potential (CAP) in the electronic structure codes. We review the formulation and the use of complex scaling and CAP in coupled cluster methods for the electron correlated calculation of energy position and autoionisation decay rate of resonance states. The application of analytically continued coupled cluster method for the correlated calculation of interatomic or intermolecular Coulombic decay process is also discussed.
}, keywords = {autoionisation resonances, complex absorbing potential, complex scaling, equation-of-motion coupled cluster, Fock space multi-reference-coupled cluster, intermolecular Coulombic decay}, issn = {0144-235X}, doi = {10.1080/0144235X.2014.935585}, author = {Sajeev, Y. and Ghosh, A. and Vaval, N. and Pal, S.} } @article {46381, title = {Covalent organic framework thin-films for molecular separation}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C547}, type = {Meeting Abstract}, keywords = {Covalent organic framework, Separation, Thin-films}, issn = {2053-2733}, author = {Dey, Kaushik and Banerjee, Rahul} } @article { ISI:000345234900039, title = {Covalent organic framework-cadmium sulfide hybrid as a prototype photocatalyst for visible-light-driven hydrogen production}, journal = {Chemistry A-European Journal}, volume = {20}, number = {48}, year = {2014}, month = {NOV}, pages = {15961-15965}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
CdS nanoparticles were deposited on a highly stable, two-dimensional (2D) covalent organic framework (COF) matrix and the hybrid was tested for photocatalytic hydrogen production. The efficiency of CdS-COF hybrid was investigated by varying the COF content. On the introduction of just 1 wt\% of COF, a dramatic tenfold increase in the overall photocatalytic activity of the hybrid was observed. Among the various hybrids synthesized, that with 10 wt\% COF, named CdS-COF (90: 10), was found to exhibit a steep H2 production amounting to 3678 mmolh(-1) g(-1), which is significantly higher than that of bulk CdS particles (124 mmolh(-1)g(-1)). The presence of a p-conjugated backbone, high surface area, and occurrence of abundant 2D hetero-interface highlight the usage of COF as an effective support for stabilizing the generated photoelectrons, thereby resulting in an efficient and high photocatalytic activity.
}, keywords = {charge transfer, covalent organic frameworks, hybrid materials, hydrogen production, Photocatalysis}, issn = {0947-6539}, doi = {10.1002/chem.201403800}, author = {Thote, Jayshri and Aiyappa, Harshitha Barike and Deshpande, Aparna and Diaz, David Diaz and Kurungot, Sreekumar and Banerjee, Rahul} } @article { ISI:000345460800049, title = {Covalently anchored 2,4,6-triallyloxy-1,3,5-triazine Pd(II) complex over a modified surface of SBA-15: catalytic application in hydrogenation reaction}, journal = {RSC Advances}, volume = {4}, number = {102}, year = {2014}, month = {OCT}, pages = {58467-58475}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Highly efficient and reusable SBA-15-TAT-Pd(II) has been synthesized by anchoring a 2,4,6-triallyloxy-1,3,5-triazine (TAT) complex over the organo-functionalized surface of SBA-15. The physiochemical properties of the organo-functionalized catalyst were analyzed by elemental analysis, ICP-OES, XRD, N-2 sorption measurement isotherm, TGA \& DTA, solid state C-13, Si-29 NMR spectra, FT-IR, XPS, DRS UV-visible, SEM and TEM. XRD \& N-2 sorption were analyzed to find out the textural properties of the synthesized catalyst and confirm that an ordered mesoporous channel structure was retained even after the multistep synthetic procedures. The electronic environment and oxidation state of Pd in SBA-15-TAT-Pd(II) were monitored by XPS and DRS UV-visible techniques. The catalytic activity of the synthesized catalyst SBA-15-TAT-Pd(II) was screened for hydrogenation reactions and shows higher catalytic activity with good turnover numbers (TON) under optimized experimental conditions with maximum conversion (\> 99\%) and selectivity (100\%). The anchored solid catalyst can be recycled efficiently and reused upto five times without major loss in reactivity.
}, issn = {2046-2069}, doi = {10.1039/c4ra10002f}, author = {Sharma, Priti and Singh, A. P.} } @article { ISI:000335152300007, title = {Croncise organocatalytic route to protected (2S, 4R)-4-hydroxyornithine and(+)-pseudohygroline}, journal = {Synlett}, volume = {25}, number = {8}, year = {2014}, month = {MAY}, pages = {1089-1092}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A practical, efficient, and organocatalytic approach to the synthesis of (2S,4R)-4-hydroxyornithine and (+)-pseudohygroline is reported using proline-catalyzed sequential alpha-aminoxylation/alpha-amination reaction and Horner-Wadsworth-Emmons olefination reaction of an aldehyde as the key step.
}, keywords = {aldehydes, Amination, Amino alcohols, cyclization, Enantioselectivity, Wittig reaction}, issn = {0936-5214}, doi = {10.1055/s-0033-1340977}, author = {Jha, Vishwajeet and Kumar, Pradeep} } @article { ISI:000341855900027, title = {Cross dimerization of amyloid-beta and alpha synuclein proteins in aqueous environment: a molecular dynamics simulations study}, journal = {Plos One}, volume = {9}, number = {9}, year = {2014}, month = {SEP}, pages = {Article No. : e106883}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Self-assembly of the intrinsically unstructured proteins, amyloid beta (A beta) and alpha synclein (alpha Syn), are associated with Alzheimer{\textquoteright}s Disease, and Parkinson{\textquoteright}s and Lewy Body Diseases, respectively. Importantly, pathological overlaps between these neurodegenerative diseases, and the possibilities of interactions between A beta and alpha Syn in biological milieu emerge from several recent clinical reports and in vitro studies. Nevertheless, there are very few molecular level studies that have probed the nature of spontaneous interactions between these two sequentially dissimilar proteins and key characteristics of the resulting cross complexes. In this study, we have used atomistic molecular dynamics simulations to probe the possibility of cross dimerization between alpha Syn(1-95) and A beta(1-42), and thereby gain insights into their plausible early assembly pathways in aqueous environment. Our analyses indicate a strong probability of association between the two sequences, with inter-protein attractive electrostatic interactions playing dominant roles. Principal component analysis revealed significant heterogeneity in the strength and nature of the associations in the key interaction modes. In most, the interactions of repeating Lys residues, mainly in the imperfect repeats {\textquoteleft}KTKEGV{\textquoteright} present in alpha Syn(1-95) were found to be essential for cross interactions and formation of inter-protein salt bridges. Additionally, a hydrophobicity driven interaction mode devoid of salt bridges, where the non-amyloid component (NAC) region of alpha Syn(1-95) came in contact with the hydrophobic core of A beta(1-42) was observed. The existence of such hetero complexes, and therefore hetero assembly pathways may lead to polymorphic aggregates with variations in pathological attributes. Our results provide a perspective on development of therapeutic strategies for preventing pathogenic interactions between these proteins.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0106883}, author = {Jose, Jaya C. and Chatterjee, Prathit and Sengupta, Neelanjana} } @article {46380, title = {Crystal engineering principles: fluoroquinolone salts}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {APR}, pages = {C413}, type = {Meeting Abstract}, keywords = {ciprofloxacin, Fluoroquinolone, norfloxacin}, issn = {2053-2733}, author = {Dandela, Rambabu and Nangia, Ashwini} } @article { ISI:000346322200038, title = {Crystal shape evolution using polyhedral population balance}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {49}, year = {2014}, month = {DEC}, pages = {18966-18974}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Research on crystal morphology covers shape evolution of single crystal and evolution of the size and shape distribution of populations of crystals. The population balance models have been used for the single or multiple dimensions for predicting the evolution of crystal size distributions (CSDs). More often than not these models do not consider the change in solute concentration due to disappearance/appearance of the crystal faces and therefore compromise rigorous mass balance. The present work focuses on the methodology for the morphological evolution of crystal shape using a polyhedral population balance model. This methodology is based on the morphodrome which illustrates the shapes of crystals at various operating conditions. gPROMS software (PSE, UK) along with Microsoft Excel is used to devise the framework for predicting the crystal shape evolution. The developed approach and models can be implemented for various crystallization systems and will be useful for simulating crystal shape evolutions.
}, issn = {0888-5885}, doi = {10.1021/ie501039c}, author = {Shaikh, Latif J. and Ranade, Vivek V. and Pandit, Aniruddha B.} } @article {46389, title = {Crystal structure of AtGet3 Delta L, a chloroplast Get3 from Arabidopsis thaliana}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C1179}, type = {Meeting Abstract}, keywords = {Arabidopsis thaliana, Get3, protein targeting}, issn = {2053-2733}, author = {Manu, M. S. and Ramasamy, Sureshkumar} } @article { ISI:000330340200002, title = {Crystalline metal-organic frameworks (MOFs): synthesis, structure and function}, journal = {Acta Crystallographica Section B-Structural Science}, volume = {70}, number = {1, SI}, year = {2014}, month = {FEB}, pages = {3-10}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Metal-organic frameworks (MOFs) are a class of hybrid network supramolecular solid materials comprised of organized organic linkers and metal cations. They can display enormously high surface areas with tunable pore size and functionality, and can be used as hosts for a range of guest molecules. Since their discovery, MOFs have experienced widespread exploration for their applications in gas storage, drug delivery and sensing. This article covers general and modern synthetic strategies to prepare MOFs, and discusses their structural diversity and properties with respect to application perspectives.
}, issn = {0108-7681}, doi = {10.1107/S2052520613029557}, author = {Dey, Chandan and Kundu, Tanay and Biswal, Bishnu P. and Mallick, Arijit and Banerjee, Rahul} } @article {46394, title = {Crystalline porous materials for gas adsorption}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C463}, type = {Meeting Abstract}, keywords = {Covalent organic framework, gas adsorption}, issn = {2053-2733}, author = {Pal, Tapan Kumar and Banerjee, Rahul} } @article { ISI:000342609300017, title = {Crystal-to-crystal thermal phase transformation of polymorphs of isomeric 2,3-naphthalene diol ditoluates: mechanism and implications for molecular crystal formation and melting}, journal = {Crystal Growth \& Design}, volume = {14}, number = {10}, year = {2014}, month = {OCT}, pages = {4985-4996}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Isomeric para- (1) and meta- (2) ditoluate derivatives of naphthalene 2,3-diol exhibited polymorphism producing three (Forms 1I, 1II, 1III) and two (Forms 2I, 2II) polymorphs each, respectively, depending on the solvent and conditions of crystallization. Crystal forms 1I, 1II, and 2I could be obtained repeatedly, whereas crystal forms 1III and 2II were obtained (separately) in one of the crystallization experiments, each. All the crystal forms were stable at ambient conditions, except for Form 2II, which disintegrated to a powder over 45 days. In contrast, the ortho-ditoluate (3) of naphthalene 2,3-diol did not exhibit polymorphism; it yielded fibrous chiral crystals from different solvents/conditions. Crystal structure analysis of all these polymorphs revealed dominance of energetically similar weak intermolecular interactions such as CH center dot center dot center dot O, CH center dot center dot center dot pi, pi center dot center dot center dot pi, and their interplay in molecular aggregation resulting in polymorphic modifications. Differential scanning calorimetry (DSC), hot stage microscopy, single crystal and powder X-ray diffraction measurements revealed crystal-to-crystal thermal transformation of Forms 1I and 1II crystals to Form 1III crystals and Form 2II crystals to Form 2I crystals. The transformation of Form 1I and Form 1II crystals to Form 1III crystals can be viewed as progressive destabilization of the crystal lattice during heating and converting to metastable phase, whereas the conversion of Form 2II to Form 2I crystals can be considered as reorganization of an unstable crystalline phase to a stable crystalline phase. Hence comparative studies of the structure of stable, metastable, or transient crystals and crystal-to-crystal transformations involving these forms could aid in unraveling the process of crystallization.
}, issn = {1528-7483}, doi = {10.1021/cg5005227}, author = {Tamboli, Majid I. and Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000335551200002, title = {C@SiNW/TiO2 core-shell nanoarrays with sandwiched carbon passivation layer as high efficiency photoelectrode for water splitting}, journal = {Scientific Reports}, volume = {4}, year = {2014}, month = {MAY}, pages = {4897}, publisher = {NATURE PUBLISHING GROUP}, type = {Article}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
One-dimensional heterostructure nanoarrays are efficiently promising as high performance electrodes for photo electrochemical (PEC) water splitting applications, wherein it is highly desirable for the electrode to have a broad light absorption, efficient charge separation and redox properties as well as defect free surface with high area suitable for fast interfacial charge transfer. We present highly active and unique photoelectrode for solar H-2 production, consisting of silicon nanowires (SiNWs)/TiO2 core-shell structures. SiNWs are passivated to reduce defect sites and protected against oxidation in air or water by forming very thin carbon layer sandwiched between SiNW and TiO2 surfaces. This carbon layer decreases recombination rates and also enhances the interfacial charge transfer between the silicon and TiO2. A systematic investigation of the role of SiNW length and TiO2 thickness on photocurrent reveals enhanced photocurrent density up to 5.97 mA/cm(2) at 1.0 V vs. NHE by using C@SiNW/TiO2 nanoarrays with photo electrochemical efficiency of 1.17\%.
}, issn = {2045-2322}, doi = {10.1038/srep04897}, author = {Devarapalli, Rami Reddy and Debgupta, Joyashish and Pillai, Vijayamohanan K. and Shelke, Manjusha V.} } @article { ISI:000329886900036, title = {Cu(II) conjugation along the transformation of a vitamin K-3 derivative to a dinaphthoquinone methide radical}, journal = {New Journal of Chemistry}, volume = {38}, number = {1}, year = {2014}, month = {JAN}, pages = {277-284}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
1,1{\textquoteright}-Methide-bi-vitamin K-3 (B) has been isolated as a dinaphthoquinone methide radical (DNQM) by the transformation of 1-imino(acetylhydrazino)-vitamin K-3 (A). The transformation follows a biomimetic activation pathway mediated via Cu(II) ion catalyzed oxidative coupling. Single crystal X-ray and electron spin resonance (ESR) experiments combined with density functional calculations elucidate the {\textquoteleft}{\textquoteleft}resonance structure{\textquoteright}{\textquoteright} of the DNQM radical (B). Fluorescence investigations reveal that DNQM facilitates interaction with the cysteine residue. As compared to the parent substrate, B shows a depletion in the level of GSH, triggering apoptosis in HeLa cells.
}, issn = {1144-0546}, doi = {10.1039/c3nj00783a}, author = {Badave, Kirti D. and Patil, Shalaka S. and Khan, Ayesha A. and Srinivas, Darbha and Butcher, Raymond J. and Gonnade, Rajesh G. and Puranik, Vedavati G. and Pinjari, Rahul V. and Gejji, Shridhar P. and Rane, Sandhya Y.} } @article { ISI:000331347300019, title = {Culturable bacterial phylogeny from a shallow water hydrothermal vent of espalamaca (Faial, Azores) reveals a variety of novel taxa}, journal = {Current Science}, volume = {106}, number = {1}, year = {2014}, month = {JAN}, pages = {58-69}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Phylogenetic diversity of the 16S rRNA gene associated with the domain bacteria was examined at the level of operational taxonomic units (OTUs) using the rarefaction analysis from a newly identified shallow water hydrothermal vent, Espalamaca in the Azorean Island Faial (Horta), North Atlantic Ocean. Diluted sea water nutrient agar amended with metals manganese, lead, iron and element sulphur, could help in retrieving highest OTUs (95) from the vent and 39 OTUs from nonvent. Molecular tools implemented on bacterial census indicated the occupancy of gamma-Proteobacteria by 55.78\%, alpha-Proteobacteria by 21.05\% and 12.63\% of Bacteroidetes in the total population. Occurrence of novel species maximized with alpha-Proteobacteria (11/20) followed by Bacteroidetes (5/12) signified the necessity of studying these groups to strengthen the biodiversity database. Shannon index (H{\textquoteright}) and the Chao I richness estimator illustrated a strong bacterial community in the venting area. The current study confers many bacterial genera which were not reported earlier in any of the shallow water vents and adds 33 new taxa to the database.
}, keywords = {Bacterial phylogeny, metals, novel taxa, rarefaction analysis, shallow vent}, issn = {0011-3891}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Colaco, Ana and Dastager, Syed Gulam and Santos, Ricardo Serrao and Meena, Ram Murti} } @article { ISI:000338640200014, title = {Current research and future perspectives of phytase bioprocessing}, journal = {RSC Advances}, volume = {4}, number = {51}, year = {2014}, month = {MAY}, pages = {26677-26691}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Phosphorus is one of nature{\textquoteright}s paradoxes as it is life{\textquoteright}s bottleneck for subsistence on earth but at same time is detrimental in surplus quantities in an aquatic environment. Phosphorus cannot be manufactured, though fortunately it can be recovered and reused. The only way to avert a supply crisis is to implement the {\textquoteleft}{\textquoteleft}3R{\textquoteright}s{\textquoteright}{\textquoteright} of sustainability, {\textquoteleft}{\textquoteleft}Reduce, Reuse and Recycle.{\textquoteright}{\textquoteright} Phytase is likely to play a critical role in the dephosphorylation of antinutritional and indigestible phytate, a phosphorus locking molecule, to digestible phosphorus, calcium and other mineral nutrients in the coming years. Hence, efforts are required to produce cost effective phytase with fast upstream and economic downstream processing because the current available process is expensive and time consuming. This review summarizes the present state of methods studied for phytase bioprocessing. Production, extraction and purification incur a large cost in product development. In addition, the process has several limitations such as dilute concentration of enzyme, extensive downstream procedures and treatment of generated effluents. However, these methods are currently employed due to lack of alternative methods. Thus, there is a clear need for an efficient, scalable and economical process for phytase production and bioseparation, and improvements are especially required with regard to yield, purity, and energy consumption. Perspectives for an improved bioprocess development for phytase are discussed based on our own experience and recent studies. It is argued that the optimization of production techniques, strain improvement and liquid-liquid extraction deserves more attention in the future.
}, issn = {2046-2069}, doi = {10.1039/c4ra03445g}, author = {Bhavsar, Kavita P. and Khire, Jayant Malhar} } @article { ISI:000339729400018, title = {CVD synthesis of graphene nanoplates on MgO support}, journal = {Materials Science-Poland}, volume = {32}, number = {2}, year = {2014}, month = {JUN}, pages = {243-246}, publisher = {OFICYNA WYDAWNICZA POLITECHNIKI WROCLAWSKIEJ}, address = {WYBRZEZE WYSPIANSKIEGO 27, 50-370 WROCLAW, POLAND}, abstract = {
Synthesis of graphene directly on MgO has been carried out and the structural properties of the obtained material have been investigated. Few-layered graphene was produced by simple thermal decomposition of methane over MgO powder at 950 A degrees C in a CVD reactor. The samples were purified by 10 N HNO3 treatment, and studied by TEM, Raman spectroscopy, EDAX and SEM. TEM clearly indicated the formation of graphene. EDAX showed that the purified sample contained only carbon and no traces of MgO. The characteristic Raman features of graphene were also seen as D-band at 1316 cm(-1), G-band at 1602 cm(-1), and a small 2D-band at 2700 cm(-1) in the Raman spectra. The strong D-band suggests that the graphene possess large number of boundary defects. The small 2D-band indicates the formation of few-layered graphene.
}, keywords = {graphene, magnesium oxide, nanographene}, issn = {2083-1331}, doi = {10.2478/s13536-013-0193-6}, author = {Jugade, Ravin M. and Sharma, Shalini and Gokhale, Suresh} } @article {46385, title = {Decoding the morphological diversity in two dimensional crystalline porous polymers}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C552}, type = {Meeting Abstract}, keywords = {Covalent organic framework, Density functional calculations, Morphology}, issn = {2053-2733}, author = {Halder, Arjun and Banerjee, Rahul} } @article { ISI:000334902400006, title = {Defects in chemically synthesized and thermally processed ZnO nanorods: implications for active layer properties in dye-sensitized solar cells}, journal = {Inorganic Chemistry}, volume = {53}, number = {8}, year = {2014}, month = {APR}, pages = {3961-3972}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We have carried out the effect of post annealing temperatures on the performance of solution-grown ZnO rods as photoanodes in dye-sensitized solar cells. Keeping our basic objective of exploring the effect of native defects on the performance of DSSC, we have synthesized ZnO rods having length in the range of 2-5 mu m by a modified sonication-induced precipitation technique. We performed extensive characterization on the samples annealed at various temperatures and confirmed that annealing at 300 degrees C results in ZnO rods with minimum native defects that have been identified as doubly ionized oxygen vacancies. The electron paramagnetic resonance measurements on the samples, on the other hand, confirmed the presence of shallow donors in the low temperature annealed samples. We also carried out electrochemical impedance measurements to understand the transport properties at different interfaces in the solar cell assembly. We could conclude that solution-processed ZnO rods annealed at 300 degrees C are better suited for fabricating DSSC with improved efficiency (1.57\%), current density (5.11 mA/cm(2)), and fill factor (45.29\%). On the basis of our results, we were able to establish a close connection between the defects in the metal oxide electron transporting nano system and the DSSC performance.
}, issn = {0020-1669}, doi = {10.1021/ic500279q}, author = {Das, Partha Pratim and Agarkar, Shruti A. and Mukhopadhyay, Soumita and Manju, Unnikrishnan and Ogale, Satishchandra B. and Devi, P. Sujatha} } @article { ISI:000339692700028, title = {Defluoridation using biomimetically synthesized nano zirconium chitosan composite: kinetic and equilibrium studies}, journal = {Journal of Hazardous Materials}, volume = {276}, year = {2014}, month = {JUL}, pages = {232-240}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{The present study reports a novel approach for synthesis of Zr nanoparticles using aqueous extract of Aloe vera. Resulting nanoparticles were embedded into chitosan biopolymer and termed as CNZr composite. The composite was subjected to detailed adsorption studies for removal of fluoride from aqueous solution. The synthesized Zr nanoparticles showed UV-vis absorption peak at 420 nm. TEM result showed the formation of polydispersed, nanoparticles ranging from 18 nm to 42 nm. SAED and XRD analysis suggested an fcc (face centered cubic) Zr crystallites. EDAX analysis suggested that Zr was an integral component of synthesized nanoparticles. FT-IR study indicated that functional group like -NH
}, keywords = {Aloe vera, Chitosan, FT-IR spectroscopy, Sorption, Zirconium nanoparticles}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2014.05.038}, author = {Prasad, Kumar Suranjit and Amin, Yesha and Selvaraj, Kaliaperumal} } @article { ISI:000343958900048, title = {Design and development of POCN-pincer palladium catalysts for C-H bond arylation of azoles with aryl iodides}, journal = {Dalton Transactions}, volume = {43}, number = {42}, year = {2014}, month = {NOV}, pages = {16084-16096}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
{Well-defined and efficient POCN-ligated palladium complexes have been developed for the direct C H bond arylation of azoles with aryl iodides. The phosphinite-amine pincer ligands 1-(R2PO)-C6H4-3-((CH2NPr2)-Pr-i) 1R2POCNIPr2-H; R = {\textquoteleft}Pr (1a)
}, issn = {1477-9226}, doi = {10.1039/c4dt01547a}, author = {Khake, Shrikant M. and Soni, Vineeta and Gonnade, Rajesh G. and Punji, Benudhar} } @proceedings {43316, title = {Design and engineering of organic molecules for customizable terahertz tags}, volume = {8985}, year = {2014}, month = {FEB}, pages = {Article Number: UNSP 89850P}, publisher = {SPIE-Int Soc Optical Engineering, 1000 20th ST, PO Box 10, Bellingham, WA 98227-0010 USA}, address = {San Francisco, CA}, abstract = {
Terahertz (THz) frequency band lies between the microwave and infrared region of the electromagnetic spectrum. Molecules having strong resonances in this frequency range are ideal for realizing "Terahertz tags" which can be easily incorporated into various materials. THz spectroscopy of molecules, especially at frequencies below 10 THz, provides valuable information on the low frequency vibrational modes, viz. intermolecular vibrational modes, hydrogen bond stretching, torsional vibrations in several chemical and biological compounds. So far there have been very few attempts to engineer molecules which can demonstrate customizable resonances in the THz frequency region. In this paper, Diamidopyridine (DAP) based molecules are used as a model system to demonstrate engineering of THz resonances (\< 10 THz) by fine-tuning the molecular mass and bond strengths. Density Functional Theory (DFT) simulations have been carried out to explain the origin of THz resonances and factors contributing to the shift in resonances due to the addition of various functional groups. The design approach presented here can be easily extended to engineer various organic molecules suitable for THz tags application.
}, doi = {10.1117/12.2041194}, author = {Ray, Shaumik and Dash, Jyotirmayee and Nallappan, Kathirvel and Kaware, Vaibhav and Basutkar, Nitin and Ambade, Ashootosh and Joshi, Kavita and Pesala, Bala} } @article {46400, title = {Design and synthesis of 3D porous diamondoid frameworks by cocrystallization}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C470}, type = {Meeting Abstract}, keywords = {cocrystals, crystal engineering, Porous Organic Cages}, issn = {2053-2733}, author = {Tothadi, Srinu and Little, Marc A. and Hasell, Tom and Briggs, Michel E. and Chong, Samantha Y. and Cooper, Andrew I.} } @article { ISI:000341619500004, title = {Design of efficient metal-free organic dyes having an azacyclazine scaffold as the donor fragment for dye-sensitized solar cells}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {36}, year = {2014}, month = {SEP}, pages = {20763-20771}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The energy conversion efficiency of dye-sensitized solar cells derived from organic dye molecules has seen immense interest recently. In this work, we report a series of organic donor molecules with enhanced energy conversion efficiency using ?-spacers and cyanoacrylic acid as an anchoring group (2-6). Density functional theory (DFT) and time-dependent DFT calculations of these molecules have been performed to examine their electronic structures and absorption spectra before and after binding to the semiconductor titanium dioxide surface. The computational results suggest that dyes 4 and 6 have a larger driving force (Delta G(inject) = -1.66 and -1.80 eV, respectively) and light-harvesting efficiency (LHE = 0.99) in the series of donor molecules studied. Thus, these dyes should possess a larger short-circuit photocurrent density (J(sc)) compared to the other examined dyes. The reported Delta G(inject) (-1.62 eV) and LHE (0.98) for compound 1, calculated with the same level of theory, were lower than those of the designed 4 and 6 dyes. Furthermore, the DFT calculations showed that the open-circuit photovoltage (V-oc) is improved with the vertical dipole moment and number of photoinjected electrons for 4 and 6. Dyes 4 and 6 are expected to exhibit high solar-energy-to-electricity conversion.
}, issn = {1932-7447}, doi = {10.1021/jp5049953}, author = {Biswas, Abul Kalam and Barik, Sunirmal and Sen, Anik and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000337149900033, title = {Design, synthesis and cytotoxicity of novel N-benzylpiperidin-4-one oximes on human cervical cancer cells}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {3}, year = {2014}, month = {MAY}, pages = {861-873}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
A series of fifteen diversified N-benzylpiperidin-4-one oximes were synthesized and characterized by their NMR spectral data. Additionally, single-crystal XRD analysis was performed for the representative symmetrically and unsymmetrically substituted molecules. All the synthesized oximes from unsymmetrical ketones existed as E-isomer as witnessed by their NMR and XRD data. Among the synthesized target compounds that evaluated for their in vitro cytotoxicity against human cervical carcinoma (HeLa) cells, five compounds were potent with IC50 \< 17 mu M. 1-Benzyl-2,6-bis(4-isopropylphenyl)-3-methylpiperidin-4-one oxime 3c with an IC50 of 13.88 mu M was found to be the best active compound as depicted by the microscopic analysis.
}, keywords = {Cytotoxicity, HeLa cells, N-benzylpiperidin-4-one oximes, single-crystal XRD}, issn = {0974-3626}, doi = {10.1007/s12039-014-0622-z}, author = {Dindulkar, Someshwar D. and Bhatnagar, Ira and Gawade, Rupesh L. and Puranik, Vedavati G. and Kim, Se-Kwon and Anh, Dong Hyun and Parthiban, Paramasivam and Jeong, Yeon Tae} } @article { ISI:000331803800085, title = {Determination of carrier lifetime and mobility in colloidal quantum dot films via impedance spectroscopy}, journal = {Applied Physics Letters}, volume = {104}, number = {6}, year = {2014}, month = {FEB}, pages = {063504}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Impedance Spectroscopy (IS) proves to be a powerful tool for the determination of carrier lifetime and majority carrier mobility in colloidal quantum dot films. We employ IS to determine the carrier lifetime in PbS quantum dot Schottky solar cells with Al and we verify the validity of the technique via transient photovoltage. We also present a simple approach based on an RC model that allows the determination of carrier mobility in PbS quantum dot films and we corroborate the results via comparison with space charge limited measurements. In summary, we demonstrate the potential of IS to characterize key-to-photovoltaics optoelectronic properties, carrier lifetime, and mobility, in a facile way. (C) 2014 AIP Publishing LLC.
}, issn = {0003-6951}, doi = {10.1063/1.4865089}, author = {Rath, Arup Kumar and Lasanta, Tania and Bernechea, Maria and Diedenhofen, Silke L. and Konstantatos, Gerasimos} } @article {43307, title = {Determination of optimum values of descriptors to set filters for synthetic tri-pyrrole derivatives (prodiginines) against multi drug resistant strain of plasmodium falciparum}, journal = {Current Research in Drug Discovery}, volume = {1}, year = {2014}, month = {JAN}, pages = {51-59}, abstract = {
Abstract: In the present study, we have carried out extensive non-linear Quantitative-Structure Activity Relationship (QSAR) analysis to correlate in vitro anti-malarial activity against multi drug resistant strain of Plasmodium falciparum. Forty-three synthetic prodiginines with different structural features were used for their potential antimalarial activity. Linear, bilinear, biexponential and parabolic equations were developed. These equations were compared to determine the optimum values of descriptors for very useful and easily interpretable descriptors. The optimum values of these descriptors could be helpful in finding and optimizing a good lead compound. Obtained correlations reveal that various factors like lipophilicity, molecular weight and number of bonds have non-linear relation with the anti-malarial activity. Keywords: Prodiginines, Anti-Malarial Activity, Optimum/Desirability Values, Hybrid Inverse-QSAR
}, doi = {10.3844/crddsp.2014.51.59}, author = {Masand, Vijay H. and Mahajan, Devidas T. and Pourbasheer, Eslam and Hadda, Taibi Ben and Chauhan, Harsh and Gajbhiye, Jayant M. and Alafeefy, A. M.} } @article { ISI:000345065400015, title = {Development of a novel method to grow mono-/few-layered MoS2 films and MoS2-graphene hybrid films for supercapacitor applications}, journal = {CrystEngComm}, volume = {16}, number = {47}, year = {2014}, month = {OCT}, pages = {10845-10855}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The controlled synthesis of highly crystalline MoS2 atomic layers remains a challenge for practical applications of this emerging material. We demonstrate a facile method to synthesize crystalline mono-layered/few-layered MoS2 thin films at the liquid-liquid interface which can be suitably transferred to the substrates. The films are characterized by XRD for their crystal structure and by SEM and TEM for the morphology. MoS2 nanosheet-graphene nanosheet (MoS2-GNS) hybrid films have been developed by the application of layer-by-layer (LbL) techniques. Cyclic voltammetry and other electrochemical characterization techniques reveal that the hybrid film electrode shows a specific capacitance of 282 F g(-1) at a scan rate of 20 mV s(-1). The as-obtained hybrid electrode is robust and exhibits much improved cycle life (\>1000), retaining over 93\% of its initial capacitance as revealed by galvanostatic charge/discharge studies. The confirmation of better performance as a supercapacitor of the composite was studied by electrochemical impedance spectroscopy. These results indicate that the MoS2-GNS hybrid is a promising candidate for the electrode material in supercapacitor applications.
}, issn = {1466-8033}, doi = {10.1039/c4ce01595a}, author = {Patil, Sagar and Harle, Arti S. and Sathaye, Shivaram and Patil, Kashinath} } @article { ISI:000344448000007, title = {Development of bioconjugate from streptomyces tyrosinase and gold nanoparticles for rapid detection of phenol constituents}, journal = {Indian Journal of Experimental Biology}, volume = {52}, number = {11}, year = {2014}, month = {NOV}, pages = {1071-1081}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, type = {Article}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
Most of the phenol compounds are toxic and have been considered as hazardous pollutants. Several physicochemical and biological methods are available to detect and monitor the phenol pollutants in water and soil. In the present study, phenol constituents of winery, paper and plastic industrial effluents were successfully detected employing tyrosinase-gold nanoparticles bioconjugate. The synthesis of extracellular tyrosinase and gold nanoparticles was achieved by a single isolate of Streptomyces sp. DBZ-39. Enhanced production (369.41 IU) of tyrosinase was produced in submerged bioprocess employing response surface method with central composite design. Extracellular gold nanoparticles synthesized (12-18 nm) by Streptomyces sp. DBZ-39 were characterized with TEM, EDAX and FTIR analysis. A rapid detection (within 10 min) of phenol constituents from winery effluents was achieved by bioconjugate, when compared to tyrosinases and gold nanoparticles independently. Streptomyces tyrosinase could exhibit relatively a better performance than commercially available mushroom tyrosinase in the detection of phenol constituents. Winery effluent has shown much higher content (0.98 O.D) of phenol constituents than paper and plastic effluents based on the intensity of color and U.V absorption spectra.
}, keywords = {Bioconjugate, gold nanoparticles, Phenol detection, Streptomyces, Tyrosinase}, issn = {0019-5189}, author = {Zainab, Mazhari Bi Bi and Madhusudhan, D. N. and Raghavendra, H. and Dastager, Syed Gulam and Dayanand, Agsar} } @article {42441, title = {Diels-alder reaction of tropones with arynes: synthesis of functionalized benzobicyclo[3.2.2]nonatrienones}, journal = {Journal of Organic Chemistry}, volume = {79}, year = {2014}, month = {APR}, pages = {4757{\textendash}4762}, abstract = {
A new procedure for the mild, practical, and scalable Diels{\textendash}Alder reaction of tropones with arynes is reported. Differently substituted tropones undergo selective [4 + 2] cycloaddition with arynes generated in situ by the fluoride-induced 1,2-elimination of 2-(trimethylsilyl)aryl triflates, allowing the formation of functionalized benzobicyclo[3.2.2]nonatrienone derivatives in moderate to good yields. In addition, the photophysical properties of the cycloadducts are presented.
}, doi = {10.1021/jo500819w}, author = {Thangaraj, Manikandan and Bhojgude, Sachin Suresh and Bisht, Rajesh H. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000341800200002, title = {Differential antibiosis against helicoverpa armigera exerted by distinct inhibitory repeat domains of capsicum annuum proteinase inhibitors}, journal = {Phytochemistry}, volume = {101}, year = {2014}, month = {MAY}, pages = {16-22}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Plant defensive serine proteinase inhibitors (Pis) are known to have negative impact on digestive physiology of herbivore insects and thus have a crucial role in plant protection. Here, we have assessed the efficacy and specificity of three previously characterized inhibitory repeat domain (IRD) variants from Capsicum annuum PIs viz., IRD-7, -9 and -12 against gut proteinases from Helicoverpa armigera. Comparative study of in silico binding energy revealed that IRD-9 possesses higher affinity towards H. armigera serine proteinases as compared to IRD-7 and -12. H. armigera fed on artificial diet containing 5 TIU/g of recombinant IRD proteins exhibited differential effects on larval growth, survival rate and other nutritional parameters. Major digestive gut trypsin and chymotrypsin genes were down regulated in the IRD fed larvae, while few of them were up-regulated, this indicate alterations in insect digestive physiology. The results corroborated with proteinase activity assays and zymography. These findings suggest that the sequence variations among Pis reflect in their efficacy against proteinases in vitro and in vivo, which also could be used for developing tailor-made multi-domain inhibitor gene(s). (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Capsicum annuum, Helicoverpa armigera, Inhibitory repeat domain, Proteases, Proteinase inhibitors}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2014.01.011}, author = {Joshi, Rakesh S. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000331020000004, title = {Differential transcriptional activity of SAD, FAD2 and FAD3 desaturase genes in developing seeds of linseed contributes to varietal variation in alpha-linolenic acid content}, journal = {Phytochemistry}, volume = {98}, year = {2014}, month = {FEB}, pages = {41-53}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Linseed or flax (Linum usitatissimum L.) varieties differ markedly in their seed a-linolenic acid (ALA) levels. Fatty acid desaturases play a key role in accumulating ALA in seed. We performed fatty acid (FA) profiling of various seed developmental stages of ten Indian linseed varieties including one mutant variety. Depending on their ALA contents, these varieties were grouped under high ALA and low ALA groups. Transcript profiling of six microsomal desaturase genes (SAD1, SAD2, FAD2, FAD2-2, FAD3A and FAD3B), which act sequentially in the fatty acid desaturation pathway, was performed using real-time PCR. We observed gene specific as well as temporal expression pattern for all the desaturases and their differential expression profiles corresponded well with the variation in FA accumulation in the two groups. Our study points to efficient conversion of intermediate FAs [stearic (SA), oleic (OA) and linoleic acids (LA)] to the final product, ALA, due to efficient action of all the desaturases in high ALA group. While in the low ALA group, even though the initial conversion up to OA was efficient, later conversions up to ALA seemed to be inefficient, leading to higher accumulation of OA and LA instead of ALA. We sequenced the six desaturase genes from the ten varieties and observed that variation in the amino acid (AA) sequences of desaturases was not responsible for differential ALA accumulation, except in the mutant variety TL23 with very low (\<2\%) ALA content. In TL23, a point mutation in the FAD3A gene resulted into a premature stop codon generating a truncated protein with 291 AA. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {ALA, Fatty acid desaturases, Fatty acids, Flax, Gene expression, Linseed}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2013.12.002}, author = {Rajwade, Ashwini V. and Kadoo, Narendra Y. and Borikar, Sanjay P. and Harsulkar, Abhay M. and Ghorpade, Prakash B. and Gupta, Vidya S.} } @article { ISI:000333730900019, title = {Dilution does the trick: role of mixed solvent evaporation in controlling nanoparticle self-assembly}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {447}, year = {2014}, month = {APR}, pages = {142-147}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
An easy and convenient way to prepare superlattices of amine capped gold nanoparticles is presented. It is clearly established that solvent evaporation significantly influences the nature of resulting superlattices and critically governs whether monolayer or multilayer superlattices are formed. More specifically, it is demonstrated that dilution of the nanoparticle dispersion with a similar solvent (but with different vapour pressure) is an expedient handle to control the nature of self-assembly. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Evaporation rate, gold nanoparticles, Nucleation, Self-assembly}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2014.01.070}, author = {Sahu, Puspanjali and Bhagavatula L. V. Prasad} } @article { ISI:000329579900029, title = {Dimethyl homophthalates to naphthopyrans: the total synthesis of arnottin I and the formal synthesis of (-)-arnottin II}, journal = {RSC Advances}, volume = {4}, number = {11}, year = {2014}, month = {JAN}, pages = {5531-5535}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple and efficient 3-step synthetic protocol has been reported for dimethyl homophthalates to naphthopyrans. Starting from dimethyl 2,3-dimethoxyhomophthalate, a practical synthesis of arnottin I has been described via a base catalyzed mono-alkylation, the selective hydrolysis of an aliphatic ester moiety, two consecutive intramolecular cyclizations and an oxidative aromatization pathway with a very good overall yield. The involved intramolecular acylation followed by an associated enolative lactonization was the decisive step. The synthesis of dihydroarnottin I also completes the formal synthesis of (-)-arnottin II.
}, issn = {2046-2069}, doi = {10.1039/c3ra45312j}, author = {Jangir, Ravi and N. P. Argade} } @article { ISI:000339727800002, title = {Dimorphism and hydrocarbon metabolism in Yarrowia lipolytica var. indica}, journal = {Archives of Microbiology}, volume = {196}, number = {8}, year = {2014}, month = {AUG}, pages = {545-556}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Yarrowia lipolytica is able to metabolize high Mr hydrophobic natural compounds such as fatty acids and hydrocarbons. Characteristically, strains of Y. lipolytica can grow as populations with variable proportions of yeast and filamentous forms. In the present study, we describe the dimorphic characteristics of a variant designated as Y. lipolytica var. indica isolated from petroleum contaminated sea water and the effect of cell morphology on hydrocarbon metabolism. The variant behaved as a yeast monomorphic strain, under conditions at which terrestrial Y. lipolytica strain W29 and its derived strains, grow as almost uniform populations of mycelial cells. Using organic nitrogen sources and N-acetylglucosamine as carbon source, var. indica was able to form mycelial cells, the proportion of which increased when incubated under semi-anaerobic conditions. The cell surface characteristics of var. indica and W29 were found to be different with respect to contact angle and percent hydrophobicity. For instance, percent hydrophobicity of var. indica was 89.93 +/- A 1.95 while that of W29 was 70.78 +/- A 1.1. Furthermore, while all tested strains metabolize hydrocarbons, only var. indica was able to use it as a carbon source. Yeast cells of var. indica metabolized hexadecane with higher efficiency than the mycelial form, whereas the mycelial form of the terrestrial strain metabolized the hydrocarbon more efficiently, as occurred with the mycelial monomorphic mutant AC11, compared to the yeast monomorphic mutant AC1.
}, keywords = {Hexadecane metabolism, Yarrowia lipolytica, Yeast-mycelium transition}, issn = {0302-8933}, doi = {10.1007/s00203-014-0990-2}, author = {Palande, A. S. and Kulkarni, S. V. and Leon-Ramirez, C. and Campos-Gongora, E. and Ruiz-Herrera, J. and Deshpande, Mukund V.} } @article { ISI:000341122200039, title = {Dinitrogen activation by silicon and phosphorus doped aluminum clusters}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {34}, year = {2014}, month = {AUG}, pages = {19869-19878}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
N-2 reduction is crucial for life, and very few catalysts are currently available to carry out this process at ambient temperature and pressure. In the present work, density functional theory based calculations reveal doped aluminum clusters to be highly reactive toward molecular nitrogen and hence are prospective materials for its activation at low temperatures. Calculations on silicon and phosphorus doped aluminum clusters with 5-8 atoms demonstrate an enhanced N-2 activation with respect to their pristine ground state and high energy counterparts. This increased efficiency of N-2 activation by doped ground state Al clusters is corroborated by an increment of the N N bond length, a red shift in N N bond stretching frequency, and adsorption energy (E-ad). Ab initio molecular-dynamics simulations demonstrate consequential efficiency of doped clusters toward dinitrogen activation at finite temperature. The ability of doped clusters toward activation of molecular nitrogen is site and shape sensitive. In short, this theoretical study highlights the critical role of doping foreign impurities for future endeavors in the design of cost-effective and efficient catalysts for N-2 activation at ambient temperatures. This observation may spur further studies in the field of aluminum nanocatalysis by doping silicon and phosphorus atom in aluminum clusters.
}, issn = {1932-7447}, doi = {10.1021/jp505700a}, author = {Das, Susanta and Pal, Sourav and Krishnamurty, Sailaja} } @article { ISI:000338023000039, title = {Direct allylation of in situ generated aldehyde acyl anions by synergistic NHC and palladium catalysis}, journal = {Angewandte Chemie-International Edition}, volume = {53}, number = {27}, year = {2014}, month = {JUL}, pages = {7038-7042}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The direct regioselective allylation of in situ generated aldehyde acyl anions has been achieved by synergistic NHC and Pd catalysis. It provides an efficient access to valuable beta,gamma-unsaturated ketones under mild reaction conditions starting from easily accessible allylic carbonates and aldehydes without any preactivation. The synergistic catalysis method demonstrated herein adds a new dimension to the area of metal-mediated C allylation.
}, keywords = {aldehyde umpolung, C allylation, N-heterocyclic carbenes, Palladium, synergistic catalysis}, issn = {1433-7851}, doi = {10.1002/anie.201400623}, author = {Ahire, Milind M. and Mhaske, Santosh B.} } @article { ISI:000335947900023, title = {Disassembly of micelles in nanoscopic space to prepare concentric nanotubes with variable hydrophobic interiors}, journal = {Chemical Communications}, volume = {50}, number = {44}, year = {2014}, month = {APR}, pages = {5905-5908}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Nanotubes with variable hydrophobic interiors were prepared by disassembling anionic micelles in the inner walls of positive charge bearing conjugated polymer nanotubes.
}, issn = {1359-7345}, doi = {10.1039/c4cc00841c}, author = {Das, Chayanika and Krishnamoorthy, Kothandam} } @article { ISI:000342087400004, title = {Discontinuous two step flow synthesis of m-aminoacetophenone}, journal = {Green Processing and Synthesis}, volume = {3}, number = {4}, year = {2014}, month = {AUG}, pages = {279-285}, publisher = {WALTER DE GRUYTER GMBH}, type = {Article}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {
The continuous flow nitration of acetophenone followed by reduction of the meta isomer has been demonstrated using simple tubular reactors. Because of ease of separation of the desired isomer from the first step, both steps are made continuous, but separately. The continuous flow nitration was carried out in a safe manner in a shorter reaction time than the conventional approach. The choice of micromixer was seen to affect the performance of the nitration reaction. The effect of different parameters on the yield of the desired product was studied. The reduction step with sodium sulfide was found to be economical and could be carried out efficiently at 70 degrees C using sodium sulfide in ethanol, using a silicone tube. Both steps were demonstrated for several hours, yielding a sufficiently large quantity (similar to 100 g) of m-aminoacetophenone at lab scale in a single day using simple tubular reactors.
}, keywords = {acetophenone, continuous flow synthesis, microreactor, nitration, reduction}, issn = {2191-9542}, doi = {10.1515/gps-2014-0043}, author = {Tibhe, Jagdish and Sharma, Yachita and Joshi, Ramesh A. and Joshi, Rohini R. and Kulkarni, Amol A.} } @article { ISI:000337637100017, title = {Disordered mesoporous TiO2-xNx+Nano-Au: an electronically integrated nanocomposite for solar H-2 generation}, journal = {ChemCatChem}, volume = {6}, number = {2}, year = {2014}, month = {FEB}, pages = {522-530}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
We report on H-2 generation by photocatalysis driven by simulated white light by electronically integrated Au nanoparticles with multifunctional, disordered mesoporous TiO2-xNx (Au-NT) nanocomposites. Solar H-2 generation (1.5 mmolh(-1)g(-1)) from aqueous methanol has been demonstrated with Au-NT nanocomposites. The water splitting activity of Au-NT is attributed to the 21.1 ps lifetime of charge carriers observed from fluorescence lifetime measurements, which indicates a high electron-injection efficiency from nano-Au to the conduction band of TiO2, and hence charge separation as well as utilization. This is directly supported by the observation of a high photoluminescence emission intensity with Au-NT that highlights the energy transfer from nano-Au to TiO2. The p-n heterojunction observed between the Au (001) and TiO2 (101) facets helps to-wards the higher charge separation and their utilization. A low mesochannel depth (\< 10 nm) associated with disordered mesoporous TiO2-xNx helps the charge carriers to move towards the surface for redox reactions and hence charge utilization. Visible-light absorption, as a result of the surface plasmon resonance of nano-Au, is observed in a broad range between 500 and 750 nm, which helps in harvesting visible-light photons. Finally, electronically integrated nano-Au with TiO2-xNx in Au-NT is evident from Raman and X-ray photoelectron spectroscopy measurements. All of these factors help to achieve a high rate of H-2 production. It is likely that a higher rate of H-2 production than that reported here is feasible by strategically locating Au clusters in porous TiO2 to generate hot spots through electronic integration.
}, keywords = {heterogeneous catalysis, Hydrogen, mesoporous materials, photochemistry, water splitting}, issn = {1867-3880}, doi = {10.1002/cctc.201300715}, author = {Sivaranjani, Kumarsrinivasan and Rajaambal, Sivaraman and Das, Tanmay and Roy, Kanak and Bhattacharyya, Somnath and Gopinath, Chinnakonda S.} } @article { ISI:000337101800021, title = {Dissolvable metallohydrogels for controlled release: evidence of a kinetic supramolecular gel phase intermediate}, journal = {Chemical Communications}, volume = {50}, number = {53}, year = {2014}, month = {MAY}, pages = {7032-7035}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Two metallohydrogels based on an amino acid-based ligand and Zn(II) salts were synthesized. These hydrogels show an uncommon, reversible, time-dependent transformation from the opaque to transparent state. These hydrogels also exhibit gradual dissolution in water (pH \<= 7) over time. A water-soluble stimulant, caffeine, could be in situ loaded into the hydrogels and slowly released during dissolution.
}, issn = {1359-7345}, doi = {10.1039/c4cc02771j}, author = {Saha, Subhadeep and Bachl, Jurgen and Kundu, Tanay and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000339090400033, title = {Distinctive PdCl2-mediated transformation of Fe-based metallogels into metal-organic frameworks}, journal = {Crystal Growth \& Design}, volume = {14}, number = {7}, year = {2014}, month = {JUL}, pages = {3434-3437}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Simple, efficient conversion of viable Fe3+-based metallogels into Fe-metal-organic frameworks (MOFs) has been achieved by PdCl2-mediated gel degradation. The metallogels and the resulting MOFs have been characterized, and a probable mechanism for the event has been elucidated.
}, issn = {1528-7483}, doi = {10.1021/cg500368q}, author = {Aiyappa, Harshitha Barike and Saha, Subhadeep and Garai, Bikash and Thote, Jayshri and Kurungot, Sreekumar and Banerjee, Rahul} } @article { ISI:000341360400024, title = {Divergent total synthesis of 1,6,8a-tri-epi-castanospermine and 1-deoxy-6,8a-di-epi-castanospermine from substituted azetidin-2-one (beta-lactam), involving a cascade sequence of reactions as a key step}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {37}, year = {2014}, month = {JUL}, pages = {7389-7396}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A divergent, short, and novel total synthesis of 1,6,8a-tri-epi-castanospermine (7) and 1-deoxy-6,8a-di-epi-castanospermine (8) has been developed via a common precursor, 15, obtained from D-mannitol derived beta-lactam. The key step involves a one pot cascade sequence of trimethyl sulfoxonium ylide based cyclization of epoxy sulfonamide 14 via epoxide ring opening, one carbon homologation followed by intramolecular cyclization.
}, issn = {1477-0520}, doi = {10.1039/c4ob00948g}, author = {Tiwari, Dipak Kumar and Bharadwaj, Kishor Chandra and Puranik, Vedavati G. and Tiwari, Dharmendra Kumar} } @article { ISI:000363220800003, title = {Diversity oriented convergent access for collective total synthesis of bioactive multifunctional carbazole alkaloids: synthesis of carbazomycin A, carbazomycin B, hyellazole, chlorohyellazole, and clausenaline D}, journal = {Organic Letters}, volume = {16}, number = {20}, year = {2014}, month = {OCT}, pages = {5470-5473}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Facile syntheses of imperative carbazole alkaloids carbazomycin A, carbazomycin B, hyellazole, chlorohyellazole, and clausenaline D have been demonstrated starting from readily available Boc-protected 3-formylindole and dimethyl maleate. The suitably substituted aromatic rings have been designed comprising three/four significant C-C bond forming reactions. The competent Wittig reaction, selective monoalkylations, one-pot regioselective Weinreb amide formation and Boc-deprotection, well designed Grignard reactions, dehydrative intramolecular cyclizations, and Baeyer-Villiger rearrangement of aromatic aldehydes were the main features.
}, issn = {1523-7060}, doi = {10.1021/ol502721r}, author = {Markad, Shivaji B. and N. P. Argade} } @inbook {43323, title = {Docking and pharmacophore modelling for virtual screening}, booktitle = { Practical Chemoinformatics}, year = {2014}, pages = {195 - 269}, publisher = {Springer}, organization = {Springer}, chapter = {Docking and pharmacophore modeling for virtual screening}, abstract = {
Protein and ligand molecules as two separate entities appear and behave differently, but what happens when they come together and interact with each other is one of the interesting facts in modern molecular biology and molecular recognition. This interaction can be well explained with the concept of docking which in a simple way can be described as the study of how a molecule can bind to another molecule to result in a stable entity. The two binding molecules can be either a protein and a ligand or a protein and a protein. Irrespective of which two molecules are interacting, a docking process invariably includes two steps{\textemdash}conformational search through various algorithms and scoring or ranking. Even though prolific research has been carried out in this field, yet it is still a topic of current interest as there is a scope for improvement to rationalize binding interactions with biological function using docking program. This chapter focuses on how to set up and perform docking runs using freeware and commercial software. Most of the known docking protocols like induced fit docking, protein{\textendash}protein docking, and pharmacophore-based docking have been discussed. The use of pharmacophore queries as filters in virtual screening is also demonstrated using suitable examples.
}, doi = {10.1007/978-81-322-1780-0_4}, author = {Karthikeyan, Muthukumarasamy} } @article { ISI:000348622000027, title = {Domibacillus enclensis sp nov., isolated from marine sediment, and emended description of the genus domibacillus}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {64}, number = {12}, year = {2014}, month = {DEC}, pages = {4098-4102}, publisher = {SOC GENERAL MICROBIOLOGY}, type = {Article}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {
A novel red-pigmented bacterial strain, designated NIO-1016(T), was isolated from a sediment sample from Chorao Island, India and was investigated by a polyphasic taxonomic approach. The strain was Gram-reaction-positive, strictly aerobic, motile and catalase-positive and produced spherical to slightly ellipsoidal endospores with subterminal position on swollen sporangia. The genomic DNA G+C content was 46.9 molok. The major fatty acids were anteiso-C-15:0, anteiso-C-17:0, iSO-C-15:0 and C-16:0. The predominant quinones were MK-6 (89.3 \%) and MK-7 (8.7 \%). The polar lipids consisted of diphosphatidylglycerol, phosphatidylglycerol, and an unidentified phospholipid. meso-Diaminopimelic acid (type My) was present in the cell-wall peptidoglycan and the major whole-cell sugars were glucose and ribose. The closest phylogenetic neighbours were identified as Domibacillus robiginosus DSM 25058(T) (98.0\% similarity) and Domibacillus indicus DSM 28032(T) (97.2\% similarity), other species of the genus Bacillus displayed below 96\% similarity. Phylogenetic, physiological, biochemical and morphological differences between strain NI0-1016(T) and its closest neighbours indicate that this strain represents a novel species in the genus Domibacillus in the family Bacillaceae for which the name Domibacillus enclensis sp. nov. is proposed with the type species N10-1016(T) (=DSM 25145(T)=NCIM 5462(T)=CCTCC AB 2011121(T)).
}, issn = {1466-5026}, doi = {10.1099/s.0.068924-0}, author = {Sonalkar, Vidya V. and Mawlankar, Rahul R. and Krishnamurthi, Srinivasan and Tang, Shan-Kun and Dastager, Syed Gulam} } @article { ISI:000341409900005, title = {Donor decomposition by lewis acids in Ziegler-Natta catalyst systems: a computational investigation}, journal = {Organometallics}, volume = {33}, number = {17}, year = {2014}, month = {SEP}, pages = {4357-4367}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The development of new donors (Lewis bases, usually containing oxygen atoms) is one of the chief areas of research in Ziegler-Natta (ZN) olefin polymerization systems. The addition of such donors has led to improvement in the activity and selectivity of ZN systems. However, in order for the donor to be effective, it has to be chemically stable and resistant to decomposition by Lewis acidic species such as AlEt3. Discussed in the current work is the chemical stability of different ester donors, including aromatic benzoate donors and the silyl ester-a promising new donor class in ZN systems. Full quantum chemical calculations with density functional theory (DFT) indicate that esters can undergo decomposition through different pathways upon interaction with species such as the AlEt3 dimer: Al2Et6. Moreover, the studies show that the active, supported titanium catalyst species can cause donor decomposition and, in fact, is likely to be the greater threat to donor decomposition than Al2Et6. This explains why the addition of excess donors can lead to the poisoning of the active site in ZN systems. We have also computationally investigated means of improving the silyl ester donors in order to make them more robust and resilient to donor decomposition by Al2Et6 and the supported active titanium species.
}, issn = {0276-7333}, doi = {10.1021/om5001259}, author = {Kumawat, Jugal and Gupta, Virendra Kumar and Vanka, Kumar} } @article { ISI:000341023400022, title = {Easy access to alpha-aryl substituted gamma-ketophosphonates: lewis acid mediated reactions of 1,3-diketones with alpha-hydroxyphosphonates and tandem regioselective C-C bond cleavage}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {36}, year = {2014}, month = {JUL}, pages = {7140-7149}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A range of alpha-aryl substituted gamma-ketophosphonates is synthesised by Lewis acid mediated reactions of 1,3-diketones and easily accessible, inexpensive benzylic alpha-hydroxyphosphonates in an operationally simple method under solvent-free conditions without exclusion of air/moisture. A regioselective C-C bond cleavage for 1,3-diketones in a tandem fashion has also been demonstrated. Synthesis of a gamma-ketophosphonate with phenol functionality at the a-position (structural analogue of raspberry ketone, a natural product) has also been presented.
}, issn = {1477-0520}, doi = {10.1039/c4ob01091d}, author = {Pallikonda, Gangaram and Chakravarty, Manab and Sahoo, Manoj Kumar} } @article { ISI:000337689900034, title = {Effect of composition and pretreatment parameters on activity and stability of Cu-Al catalysts for water-gas shift reaction}, journal = {ChemCatChem}, volume = {6}, number = {6}, year = {2014}, month = {JUN}, pages = {1698-1706}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
We investigated various Cu species responsible for highly efficient Cu-Al oxide catalyst for the water-gas shift reaction (WGSR). The formation of various Cu species was achieved by systematically varying the Cu-Al composition in the coprecipitated mixed Cu-Al oxides. The Cu-Al composition of 70:30 (Cu-Al-7) was the best for WGSR using the reformate gas composition. In addition, the Cu-Al-7 catalyst reduced under 100\% H-2, was relatively stable with time on stream of 100 h, at higher gas hourly space velocity of 36201 h(-1). The structural investigation of our coprecipitated catalysts with varying Cu-Al compositions revealed the formation of nonzero oxidation state copper and metallic Cu to be essential for the observed WGSR activity. In addition, the highest activity and stability of Cu-Al-7 catalysts reduced under 100\% H-2 at lower temperature was attributed to particle-size stabilization and a lower extent of Cu aggregation by Cu2O and boehmite phases, respectively, along with the formation of various Cu species during the activation protocol for 12 h. Complete CO2 selectivity without methanation was observed for all the Cu-Al compositions irrespective of their pretreatment conditions.
}, keywords = {aluminum, Copper, fuel cells, Hydrogen, reduction}, issn = {1867-3880}, doi = {10.1002/cctc.201301049}, author = {Mane, Rasika B. and Jeong, Dae-Woon and Malawadkar, Atul V. and Roh, Hyun-Seog and Rode, Chandrashekhar V.} } @article { ISI:000349128700077, title = {Effect of gold nanoparticle on structure and fluidity of lipid membrane}, journal = {Plos One}, volume = {9}, number = {12}, year = {2014}, month = {DEC}, pages = {Article No. : e114152}, publisher = {PUBLIC LIBRARY SCIENCE}, type = {Article}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
This paper deals with the effect of different size gold nanoparticles on the fluidity of lipid membrane at different regions of the bilayer. To investigate this, we have considered significantly large bilayer leaflets and incorporated only one nanoparticle each time, which was subjected to all atomistic molecular dynamics simulations. We have observed that, lipid molecules located near to the gold nanoparticle interact directly with it, which results in deformation of lipid structure and slower dynamics of lipid molecules. However, lipid molecules far away from the interaction site of the nanoparticle get perturbed, which gives rise to increase in local ordering of the lipid domains and decrease in fluidity. The bilayer thickness and area per head group in this region also get altered. Similar trend, but with different magnitude is also observed when different size nanoparticle interact with the bilayer.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0114152}, author = {Mhashal, Anil R. and Roy, Sudip} } @article { ISI:000334895800014, title = {Effect of method of preparation on hydrodesulphurization activity of Co- or Ni-promoted MoS2/SBA-15 catalysts}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {437-444}, publisher = {Catalysis Soc India}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Ordered mesoporous material SBA-15 was synthesized and used as a support for the preparation of molybdenum sulphide catalysts through precipitation from homogeneous solution (PFHS) technique with the Mo content varying from 2-12 wt\%. The prepared catalysts were evaluated for thiophene hydrodesulphurizadon catalytic activities at 400 degrees C. Catalysts prepared through PFHS method resulted in highly dispersed MoS2 catalysts, which were inferred from powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), low temperature oxygen chemisorptions (LTOC) and BET surface area analysis. The relationship between XPS intensity ratio, oxygen chemisorption and catalytic activities is discussed in terms of highly dispersed nano particles of MoS2 and its consequence in accommodating more promoted atoms at the edge sites.
}, keywords = {HDS, MoS2, PFHS method, promotional effects, SBA-15}, issn = {0974-3626}, author = {Garg, Shelu and Soni, Kapil and Prasad, V. V. D. N. and Kumar, Manoj and Bhaskar, Thallada and Gupta, J. K. and Dhar, G. Murali and Gopinath, Chinnakonda S.} } @article {46369, title = {Effect of pH on the hydrolytic kinetics of gamma-glutamyl transferase from bacillus subtilis}, journal = {Scientific World Journal}, year = {2014}, month = {FEB}, pages = {216270}, type = {Article}, abstract = {
The effect of pH on the steady state kinetics of gamma-glutamyl transferase (GGT) from Bacillus subtilis was examined using glutamyl-(3-carboxyl)-4-nitroanilide as the chromogenic reporter substrate. The enzyme was active in the pH range 7.0-11.0 with the optimum activity at pH 11.0. We noticed a pH dependent transformation in the nature of substrate consumption kinetics. The substrate saturation curves were hyperbolic in the pH range 7.0-9.0 but changed into sigmoid form at pH 10.0 and 11.0. Hill{\textquoteright}s coefficients were \> 1. We also analysed the effect of pH on the structure of the enzyme. The circular dichroism spectra of the enzyme sample at pH 9.0 and 11.0 were coincidental in both far and near UV regions indicating conservation of the secondary and tertiary structures, respectively. Themolecular weight of the enzyme sample was the same in both pH 7.0 and 11.0 indicating conservation of the quaternary structure. These results show that the kinetic transformation does not involve significant conformational changes. Cooperative binding of multiple substrate molecules may not be the basis for the sigmoid kinetics as only one substrate binding site has been noticed in the reported crystal structures of B. subtilis GGT.
}, issn = {1537-744X}, doi = {10.1155/2014/216270}, author = {Balakrishna, Sharath and Prabhune, Asmita} } @article { ISI:000345479000014, title = {Effect of preparation parameters on characterization and activity of Co3O4 catalyst in liquid phase oxidation of lignin model substrates}, journal = {Applied Catalysis A-General}, volume = {487}, year = {2014}, month = {OCT}, pages = {130-138}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The nano structured spinel cobalt oxide (Co3O4) was prepared via simple co-precipitation method and its catalytic activity was evaluated for the liquid phase aerobic oxidation of lignin sub structure compounds such as veratryl alcohol. Catalyst preparation parameters influenced its morphology eventually affecting its oxidation activity. Thus, nano rod shaped CO3O4 catalyst showed 75\% and 38\% conversion of veratryl alcohol with complete selectivity to veratryl aldehyde in toluene and water, respectively, under base free condition. The influence of reaction conditions, such as temperature, oxygen pressure and catalyst loading was studied to obtain the optimum product yield and selectivity to the desired product. Furthermore, oxidation of various sub-structures of lignin model compounds was also studied over the same catalyst which was found to be in the following order: secondary alcohol \>di-substituted \> tri-substituted \> monosubstituted \> non-substitution. The stability of the catalyst was confirmed by its successful recycle for three times. (c) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Coniferyl alcohol, Nano Co3O4, Sinapyl alcohol, TPR, Veratryl alcohol}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.08.023}, author = {Mate, Vivek R. and Jha, Ajay and Joshi, U. D. and Patil, K. R. and Shirai, M. and Rode, C. V.} } @article { ISI:000347498500064, title = {Effect of pt incorporation in LaBO3 (B = Mn, Fe, Co) perovskites on water gas shift activity}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {395}, year = {2014}, month = {DEC}, pages = {506-513}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Pt incorporated perovskites LaBO3 (B = Mn, Co, Fe) were synthesised and characterised to understand the charge state of Pt in these materials. At the temperature range used in this study, Pt could be stabilised in ionic form in Co and Fe perovskites but not in LaMnO3. Consequent to incorporation of Pt in +2 and +4 oxidation states, reduction in B site ion charge state occurred, enhancing oxygen vacancies. Pt doped Co and Fe perovskites showed high activity for CO conversion under water gas shift conditions but the activity characteristics were found to be different for the two catalysts; LaCo1-xPtxO3-delta showed methanation whereas the Fe counterpart was active in water gas shift reaction. It was also observed that methanation could be decreased and water gas shift enhanced in case of Pt doped Co perovskite when compared to Pt impregnated perovskite or mixed oxides. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Methanation, Perovskites, Pt doping, Water gas shift reaction, XANES}, issn = {1381-1169}, doi = {10.1016/j.molcata.2014.09.015}, author = {Rajesh, Thattarathody and Upadhyay, Anuj and Sinha, Anil K. and Deb, Sudip K. and Devi, R. Nandini} } @article { ISI:000335620500016, title = {Effect of self-assembly on triiodide diffusion in water based polymer gel electrolytes: an application in dye solar cell}, journal = {Journal of Colloid and Interface Science}, volume = {425}, year = {2014}, month = {JUL}, pages = {110-117}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The preparation of ordered polymer gels from the amphiphilic block copolymers, Pluronic (R) F77, P123 and polyethylene glycol in the presence of ionic liquid, iodine and organic additives is presented. At 35\%(w/w) concentration these copolymers (F77 and P123) self-assembled into cubic liquid crystalline phase in aqueous solution and characterized by using SAXS and AFM measurements. The effects of micellar aggregation formed by polymers on the ionic transport and triiodide diffusion have been studied by electro-chemistry and SANS experiments. The ionic migration or triiodide diffusion through these polymer gels is found to be affected by the PEO/PPO content in the polymer backbone. These gels were successfully employed as an electrolyte in a dye sensitized solar cell. A remarkable solar to electricity conversion efficiency and good stability was obtained using Pluronic (R) F77 based gel, which is attributed to its thermoreversible sol to gel transition. (C) 2014 Elsevier Inc. All rights reserved.
}, keywords = {Amphiphilic block copolymer, Dye solar cell, Micellar nanochannels, SANS, SAXS, Self-assembly, Water based gel electrolytes}, issn = {0021-9797}, doi = {10.1016/j.jcis.2014.03.047}, author = {Soni, S. S. and Fadadu, K. B. and Vekariya, R. L. and Debgupta, Joyashish and Patel, K. D. and Gibaud, A. and Aswal, Vinod K.} } @article {46365, title = {Effect of silicon doping on the reactivity and catalytic activity of gold clusters}, journal = {Journal of Physical Chemistry C}, volume = {118}, year = {2014}, month = {APR }, pages = {7501-7507}, type = {Article}, abstract = {
Doping is known to be an excellent and simple way of catalyst design. Although notable progress has been made in understanding the reactivity and catalytic activity of gas-phase and supported gold clusters, very few studies have been carried out on the doped gold clusters. In the present work, we have carried out density functional theory calculations to investigate the effect of silicon doping on the reactivity and catalytic activity of gold nanoclusters. The present work particularly focuses on the adsorption and activation of molecular oxygen on the pristine and silicon-doped gold clusters. The results confirm that the silicon-doped Au7Si cluster shows considerable binding and activation of the O-2 molecule in comparison to the pristine Au-8 cluster as reflected in the relevant geometrical parameters (O-O and Au-O bond lengths) and O-O stretching frequency. However, silicon doping has no contrasting effect on the reactivity and catalytic activity of the Au-7 cluster. In addition to the stronger binding and activation of the O-2 molecule, the doped Au7Si cluster leads to a significant reduction in the activation barrier (0.57 eV) for the environmentally important CO oxidation reaction in contrast to the catalytically inactive pristine Au-8 cluster (1.22 eV). Thus, our results highlight the critical role of doping foreign impurities for future endeavors in the field of gold nanocatalysis.
}, issn = {1932-7447}, doi = {10.1021/jp501611t}, author = {Manzoor, Dar and Krishnamurty, Sailaja and Pal, Sourav} } @article { ISI:000328665300008, title = {Effect of SnO2/Al2O3 ratio of Si-based MFI on its acidity and hydrophobicity: application in selective hydroxyalkylation of p-cresol}, journal = {Catalysis Communications}, volume = {44}, number = {SI}, year = {2014}, month = {JAN}, pages = {29-34}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Silica based MR type molecular sieves with various SnO2/Al2O3 ratios were synthesized from gels having molar compositions SiO2:xSnO(2):yAl(2)O(3):0.23(TPA)(2)O:35H(2)O where 0 \<= x \<= 0.02 and 0 \<= y \<= 0.01. Recyclable, Al-free Sn-MFI catalyst showed 31\% conversion of formaldehyde with 100\% selectivity to 2,2{\textquoteright}-methylenebis(4-methylphenol) in hydroxyalkylation of p-cresol with formaldehyde on account of moderate acidity and higher hydrophobicity. (C) 2013 Elsevier B.A. All rights reserved.
}, keywords = {Al-27 MAS NMR, Hydroxyalkylation, Molecular sieves, p-Cresol, Stannosilicate}, issn = {1566-7367}, doi = {10.1016/j.catcom.2013.08.002}, author = {Garade, Ajit C. and Malwadkar, A. V. and Niphadkar, P. S. and Jha, Ratnesh Kumar and Joshi, P. N. and Rode, C. V.} } @article { ISI:000340414900005, title = {Effect of the branching pattern of hydrophobic dendrons on the core structure of linear-dendritic copolymer micelles}, journal = {Macromolecular Chemistry and Physics}, volume = {215}, number = {15}, year = {2014}, month = {AUG}, pages = {1456-1465}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Hydrophobic dendrons based on different branching patterns, viz. 3,5-di- and 3,4,5-trisubstituted phenyl rings, consist of the same backbone but exhibit different sizes, shapes, and hydrophobic densities. These dendrons are attached to poly(ethylene glycol) and the core properties of the copolymer micelles are investigated in tetrahydrofuran (THF)/water mixtures by neutron scattering. Two polymers with intermediate hydrophobicity are studied further with variations in the solvent composition and the temperature. The aggregation numbers for 3,4,5-based dendron copolymers are lower, with more THF molecules of solvation compared with the 3,5-based dendron copolymer, the difference being greater at higher generations due to different molecular shapes. The micellar core size increases in small steps with dendron size so that dye encapsulation is tuned.
}, keywords = {diblock copolymers, linear-dendritic copolymers, micelles, neutron scattering, structure-property relations}, issn = {1022-1352}, doi = {10.1002/macp.201400150}, author = {Kalva, Nagendra and Aswal, Vinod K. and Ambade, Ashootosh V.} } @article { ISI:000340306500036, title = {Effects of method of preparation on catalytic activity of Co-Zn double-metal cyanide catalysts for copolymerization of CO2 and epoxide}, journal = {Applied Catalysis A-General}, volume = {482}, year = {2014}, month = {JUL}, pages = {300-308}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Co-Zn double-metal cyanide (DMC) complexes are well-known catalysts for ring-opening polymerization of epoxides and co-polymerization of CO2 and epoxides. This work provides an insight on structure-activity relationship of DMC for poly(cyclohexene carbonate) synthesis. Seven samples of DMC were prepared by different methods and mode of reagent addition. Highly active catalyst could be synthesized even without using a co-complexing agent. CO2 adsorption studies revealed that higher the guest-host interaction higher would be the catalytic activity. High density and strength of Lewis acid sites, moderate crystallinity, low crystal symmetry (rhombohedral/monoclinic), Cl- ions and coordinated tert.-butanol (complexing agent) control the catalytic activity for polycarbonates. Chloride in the structure avoided induction period by increasing acidity of the catalyst and thereby, improving the guest-host interactions. Polycarbonates with CO2 incorporation as high as 86 mol\%, average molecular weight of 20900 and polydispersity index of 1.8 were prepared at complete conversion of cyclohexene oxide. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Carbon dioxide, CO2 utilization, Copolymerization of CO2 and cyclohexene oxide, Double-metal cyanide, Polycarbonate, Structure-activity relationship}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.06.007}, author = {Sebastian, Joby and Srinivas, Darbha} } @article { ISI:000343624300007, title = {Efficient and mild method for preparation of allylic amines from aziridine-2-alcohols using PPh3/I-2/imidazole}, journal = {Tetrahedron Letters}, volume = {55}, number = {43}, year = {2014}, month = {OCT}, pages = {5905-5907}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Allylic amines are synthesized in good to excellent yields by treatment of aziridine-2-alcohols with PPh3/I-2/imidazole in THF as solvent under mild conditions. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Chiral allylic amine, Chiral aziridine-2-alcohols, PPh3/iodine/imidazole, Reductive elimination}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.08.078}, author = {Chavan, Subhash P. and Khairnar, Lalit B. and Chavan, Prakash N.} } @article { ISI:000346322200021, title = {Efficient conversion of cellulose to levulinic acid by hydrothermal treatment using zirconium dioxide as a recyclable solid acid catalyst}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {49}, year = {2014}, month = {DEC}, pages = {18796-18805}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Conversion of cellulose into platform chemicals is essential for sustainable development of the chemical industry. With this aim, single step hydrothermal conversion of cellulose to industrially important levulinic acid using zirconium dioxide as a catalyst has been investigated. A remarkably high yield (53.9 mol \%) of levulinic acid with excellent accountability and total conversion of cellulose has been achieved at 180 degrees C reaction temperature and reaction time of 3 h with 2 wt \% of catalyst and 2 g of cellulose. The major products identified were levulinic acid (LA), formic acid (FA), 5-hydroxymethylfurfural (5-HMF), furfural, and humins. Formation of humins during cellulose hydrolysis and dehydration was observed and is also confirmed by NMR and FTIR analysis. The effect of various reaction parameters such as temperature, time, substrate concentration, and catalyst loading on conversion and selectivity has been studied. The catalyst has been regenerated and recycled several times without any loss of activity and selectivity.
}, issn = {0888-5885}, doi = {10.1021/ie5011838}, author = {Joshi, Sunil S. and Zodge, Amit D. and Pandare, Kiran V. and Kulkarni, Bhaskar D.} } @article { ISI:000346624500002, title = {Efficient synthesis of 1,5-benzodiazepines catalyzed by bismuth nitrate}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {53}, number = {12}, year = {2014}, month = {DEC}, pages = {1561-1567}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
An efficient method has been developed for the synthesis of biologically active 1,5-benzodiazepines in one-pot by reacting o-phenylenediamine and ketones catalyzed by bismuth nitrate pentahydrate at room temperature or under microwave irradiation.
}, keywords = {1, 5-benzodiazepines, bismuth nitrate pentahydrate, o-Phenylenediamine, synthetic methods}, issn = {0376-4699}, author = {Bhattacharya, Asish K. and Dange, Santoshkumar S. and Polanki, Innaiah K. and Chand, Hemender R.} } @article { ISI:000331163900009, title = {Efficient synthesis of 9-aryldihydrophenanthrenes by a cascade reaction involving arynes and styrenes}, journal = {Organic Letters}, volume = {16}, number = {3}, year = {2014}, month = {FEB}, pages = {676-679}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A mild, general, and transition-metal-free protocol for the synthesis of 9,10-dihydrophenanthrenes is reported. The aryne generated by the fluoride-induced,1,2-elimination of 2-(trimethylsilyl)aryl triflates undergoes an efficient cascade reaction initiated by the Diels-Alder reaction with the differently substituted styrenes leading to the formation of 9-aryl-9,10-dihydrophenanthrene derivatives in moderate to good yields.
}, issn = {1523-7060}, doi = {10.1021/ol4033094}, author = {Bhojgude, Sachin Suresh and Bhunia, Anup and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000335226700033, title = {Efficient synthesis of glycerol carbonate/glycidol using 1,8-diazabicyclo [5.4.0] undec-7-ene (DBU) based ionic liquids as catalyst}, journal = {RSC Advances}, volume = {4}, number = {33}, year = {2014}, month = {FEB}, pages = {17124-17128}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Transesterification of dimethyl carbonate with glycerol to glycerol carbonate has been catalyzed efficiently using basic ionic liquids as catalysts. Activity of all the ILs tested is very high and the best result (96\% conversion with 82\% selectivity to glycerol carbonate and 18\% selectivity to glycidol) was obtained using IL1 as catalyst. The effect of catalyst loading has significant influence on the selectivity pattern. The higher activity of the ionic liquid is explained with a plausible mechanism based on the co-operative effect of both cation and anion.
}, issn = {2046-2069}, doi = {10.1039/c3ra47433j}, author = {Munshi, Mudassir K. and Biradar, Pradeep S. and Gade, Swapna M. and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000341552000026, title = {Efficient synthesis of O-aryloxime ethers by copper fiuorapatite catalyzed cross-coupling of aryloximes with arylboronic acids}, journal = {Tetrahedron Letters}, volume = {55}, number = {38}, year = {2014}, month = {SEP}, pages = {5327-5332}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A novel, highly efficient, and mild protocol has been developed for the synthesis of O-aryloxime ethers in good to excellent yields at ambient reaction conditions. This is the first report in which =N-O-Ar linkage was achieved with ecofriendly, recyclable, heterogeneous copper fluorapatite (CuFAP) catalyst via C-O cross coupling of aryloxime with arylboronic acid in the presence of Cs2CO3 as base and methanol as solvent. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Arylboronic acid, Aryloxime, Copper fluorapatite, O-Aryloxime ethers}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.07.056}, author = {Mulla, Shafeek Abdul Rashid and Chavan, Santosh S. and Inamdar, Suleman M. and Pathari, Mohsinkhan Y. and Shaikh, Taufeekaslam M. Y.} } @article { ISI:000340696200021, title = {Efforts towards the synthesis of microsporin B: ready access to both the enantiomers of the key amino acid fragment}, journal = {Tetrahedron Letters}, volume = {55}, number = {34}, year = {2014}, month = {AUG}, pages = {4777-4779}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Both the isomers methyl-(2S,8R)-2-((tert-butoxycarbonyl)amino)-8-hydroxydecanoate and methyl-(2S,8S)-2-((tert-butoxycarbonyl)amino)-8-hydroxydecanoate of an unusual amino acid residue and the key fragment of microsporin B are prepared. The key steps include cross metathesis and enzymatic kinetic resolution. In addition, a linear tetrapeptide with desired components towards total synthesis is also reported. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Cross metathesis, Enzymatic resolution, HDAC inhibitor, Microsporin, Tetrapeptide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.06.093}, author = {Swaroop, Pandrangi Siva and Tripathy, Sibanarayan and Jachak, Gorakhnath R. and Reddy, D. Srinivasa} } @article { ISI:000339861500096, title = {Electrochemical preparation of vertically aligned, hollow CdSe nanotubes and their p-n junction hybrids with electrodeposited Cu2O}, journal = {Nanoscale}, volume = {6}, number = {15}, year = {2014}, month = {AUG}, pages = {9148-9156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Vertically aligned, hollow nanotubes of CdSe are grown on fluorine doped tin oxide (FTO) coated glass substrates by ZnO nanowire template-assisted electrodeposition technique, followed by selective removal of the ZnO core using NH4OH. A detailed mechanism of nucleation and anisotropic growth kinetics of nanotubes have been studied by a combination of characterization tools such as chronoamperometry, SEM and TEM. Interestingly, {\textquoteleft}{\textquoteleft}as grown{\textquoteright}{\textquoteright} CdSe nanotubes (CdSe NTs) on FTO coated glass plates behave as n-type semiconductors exhibiting an excellent photo-response (with a generated photocurrent density value of similar to 470 mu A cm(-2)) white in contact with p-type Cu2O (p-type semiconductor, grown separately on FTO plates) because of the formation of a n-p heterojunction (type II). The observed photoresponse is 3 times higher than that of a similar device prepared with electrodeposited CdSe films (not nanotubes) and Cu2P on FTO. This has been attributed to the hollow 1-D nature of CdSe NTs, which provides enhanced inner and outer surface areas for better absorption of light and also assists faster transport of photogenerated charge carriers.
}, issn = {2040-3364}, doi = {10.1039/c3nr06917f}, author = {Debgupta, Joyashish and Devarapalli, Rami Reddy and Rahman, Shakeelur and Shelke, Manjusha V. and Pillai, Vijayamohanan K.} } @article { ISI:000337134500027, title = {Electrochemically grown nanoporous MnO2 nanowalls on a porous carbon substrate with enhanced capacitance through faster ionic and electrical mobility}, journal = {Chemical Communications}, volume = {50}, number = {54}, year = {2014}, month = {APR}, pages = {7188-7190}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report the deposition of uniform porous MnO2 nanowalls on a conducting carbon fiber substrate using a simple electrochemical method, which produces ordered nano-channels demarcated by the MnO2 walls for easy ion transport and a continuous electron path created by the carbon backbone. The system achieves a specific capacitance of 1149 F g(-1) and retains 565 F g(-1) even at dragging conditions as high as 100 A g(-1).
}, issn = {1359-7345}, doi = {10.1039/c4cc00927d}, author = {Anothumakkool, Bihag and Kurungot, Sreekumar} } @article { ISI:000336883000054, title = {Electrodeposited polyethylenedioxythiophene with infiltrated gel electrolyte interface: a close contest of an all-solid-state supercapacitor with its liquid-state counterpart}, journal = {Nanoscale}, volume = {6}, number = {11}, year = {2014}, month = {JUN}, pages = {5944-5952}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report the design of an all-solid-state supercapacitor, which has charge storage characteristics closely matching that of its liquid-state counterpart even under extreme temperature and humidity conditions. The prototype is made by electro-depositing polyethylenedioxythiophene (PEDOT) onto the individual carbon fibers of a porous carbon substrate followed by intercalating the matrix with polyvinyl alcohol-sulphuric acid (PVA-H2SO4) gel electrolyte. The electrodeposited layer of PEDOT maintained a flower-like growth pattern along the threads of each carbon fiber. This morphology and the alignment of PEDOT led to an enhanced surface area and electrical conductivity, and the pores in the system enabled effective intercalation of the polymer-gel electrolyte. Thus, the established electrode-electrolyte interface nearly mimics that of its counterpart based on the liquid electrolyte. Consequently, the solid device attained very low internal resistance (1.1 Omega cm(-2)) and a high specific capacitance (181 F g(-1)) for PEDOT at a discharge current density of 0.5 A g(-1). Even with a high areal capacitance of 836 mF cm(-2) and volumetric capacitance of 28 F cm(-3), the solid device retained a mass-specific capacitance of 111 F g(-1) for PEDOT. This is in close agreement with the value displayed by the corresponding liquid-state system (112 F g(-1)), which was fabricated by replacing the gel electrolyte with 0.5 M H2SO4. The device also showed excellent charge-discharge stability for 12 000 cycles at 5 A g(-1). The performance of the device was consistent even under wide-ranging humidity (30-80\%) and temperature (-10 to 80 degrees C) conditions. Finally, a device fabricated by increasing the electrode area four times was used to light an LED, which validated the scalability of the process.
}, issn = {2040-3364}, doi = {10.1039/c4nr00659c}, author = {Anothumakkool, Bihag and Torris, Arun A. T. and Bhange, Siddheshwar N. and Badiger, Manohar V. and Kurungot, Sreekumar} } @conference {46368, title = {Electrokinetic properties of PMAA functionalized NiFe2O4 nanoparticles synthesized by thermal plasma route}, booktitle = {Solid State Physics: Proceedings of the 58th Dae Solid State Physics Symposium 2013, PTS A \& B}, year = {2014}, month = {DEC}, publisher = {Board Res Nucl Sci; Dept Atom Energy; Govt India}, organization = {Board Res Nucl Sci; Dept Atom Energy; Govt India}, address = {2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA}, abstract = {
The magnetic nickel ferrite (NiFe2O4) nanoparticles with an average size of 30nm were synthesised by Transferred arc DC Thermal Plasma route. The synthesized nickel ferrite nanoparticles were characterized by TEM and FTIR techniques. The synthesized nickel ferrite nanoparticles were further functionalized with PMAA (polymethacrylic acid) by self emulsion polymerization method and subsequently were characterized by FTIR and Zeta Analyzer. The variation of zeta potential with pH was systematically studied for both PMAA functionalized (PNFO) and uncoated nickel ferrite nanoparticles (NFO). The IEP (isoelectric points) for PNFO and NFO was determined from the graph of zeta potential vs pH. It was observed that the IEP for NFO was at 7.20 and for PNFO it was 2.52. The decrease in IEP of PNFO was attributed to the COOH functional group of PMAA.
}, keywords = {IEP, NiFe2O4, PMAA, Thermal plasma, Zeta potential}, isbn = {978-0-7354-1225-5}, doi = {10.1063/14873080}, author = {Bhosale, Shivaji V. and Mhaske, Pravin and Kanhe, N. and Navale, A. B. and Bhoraskar, S. V. and Mathe, V. L. and Bhatt, S. K.}, editor = {Murli, C and Bhattacharyya, D and Gadkari, SC} } @article { ISI:000343974100018, title = {Electronic structure-sunlight driven water splitting activity correlation of (Zn1-yGay)(O1-zNz)}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {43}, year = {2014}, month = {SEP}, pages = {23654-23662}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
(Zn1-yGay)(O1-zNz) (y \<= 0.10; z \<= 0.15) solid solutions have been investigated for their electronic structure and visible light photocatalytic activity, and a correlation was found between them. (Zn1-yGay)(O1-zNz) with ZnO as the major component have been synthesized by a solution combustion method in 10 minutes using simple raw materials. The local structures of Zn K edge and Ga K edge, and changes in the chemical environment with the incorporation of Ga and N in ZnO were determined by EXAFS study. EXAFS and XRD results suggested the dissolution of GaN in the ZnO lattice. The homogeneity of the solid solution was demonstrated from HRTEM studies. Photoluminescence studies revealed the creation of a new band at the top of the ZnO valence band (VB), and thus the broadening of the VB of (Zn1-yGay)(O1-zNz) or a decrease in the band gap was attributed to the origin of visible light absorption. UV-Vis spectral studies showed light absorption up to 550 nm, which directly supports the VB broadening. Predominant oxygen vacancies and high photocorrosion observed for ZnO were fully suppressed for (Zn1-yGay)(O1-zNz) , indicating the minimization of defects, and thus more sustainability under irradiation conditions. The bare solid solution exhibited reasonable and promising activity for solar hydrogen evolution and photoelectrochemical current generation at 0 V. The present work explained factors such as the preparation method, single phase structure with the stabilization of integral parts, homogeneity in the structure, compensation of oxygen vacancies, and suppression of the density of recombination centres that play a pivotal role in realizing solar energy harvesting.
}, issn = {1463-9076}, doi = {10.1039/c4cp03640a}, author = {Rajaambal, Sivaraman and Yadav, A. K. and Jha, Shambhu Nath and Bhattacharyya, Dibyendu and Gopinath, Chinnakonda S.} } @article { ISI:000340530500007, title = {Electronic transition dipole moment: a semi-biorthogonal approach within valence universal coupled cluster framework}, journal = {International Journal of Quantum Chemistry}, volume = {114}, number = {18, SI}, year = {2014}, month = {SEP}, pages = {1212-1219}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Electronic dipole strengths (square of transition moments) and oscillator strengths are evaluated for various transitions, arising from the ground state to a few valence excited states. Parallel to two other methods of calculating the dipole strength within the Fock-space multireference coupled cluster framework, a new semi-biorthogonal approach is formulated and implemented in this article. This semi-biorthogonal approach can evaluate dipole strengths at a lower computational effort than the biorthogonal approach without compromising on the accuracy. This new method is compared and tested against the previously developed expectation value and biorthogonal approach for various molecular transitions. (C) 2014 Wiley Periodicals, Inc.
}, keywords = {electronic transition dipole, Fock-space, oscillator strength, semi-biorthogonal expectation value}, issn = {0020-7608}, doi = {10.1002/qua.24691}, author = {Bhattacharya, Debarati and Vaval, Nayana and Pal, Sourav} } @article { ISI:000334898800032, title = {Electronically and catalytically functional carbon cloth as a permeable and flexible counter electrode for dye sensitized solar cell}, journal = {Electrochimica Acta}, volume = {123}, year = {2014}, month = {MAR}, pages = {248-253}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In this work we demonstrate that a conducting carbon cloth obtained by one-step pyrolysis of easily available cellulose fabric competes favorably with the commonly employed expensive platinum/FTO system as a counter electrode for dye sensitized solar cell (DSSC). In view of the low carbonization temperature (1000 degrees C) which forbids full graphitization, the nature of carbon in this case is represented by topologically randomly assembled nanoscale graphene units (turbostratic carbon). This morphology has high density of edge states and oxygen containing surface groups rendering multitude of catalytic sites for the reduction of I-3(-). Moreover the cloth is permeable to the dye and/or liquid electrolyte and its absorption properties also help retain the electrolyte. A fairly high efficiency of 5.8\% is achieved using such cloth as a counter electrode as against 7\% with the conventional Pt/FTO system. Moreover, the permeable property of the cloth eliminates a complete step of drilling hard TCO substrates for final dispensing of electrolyte into the device and the sealing process is also facile. In fact even the dye can be dispensed through the cloth. Finally, the flexibility of the carbon cloth can adapt easily to flexible/wearable DSSC designs. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {conducting carbon cloth, counter electrode, DSSC, without drilling}, issn = {0013-4686}, doi = {10.1016/j.electacta.2013.12.175}, author = {Tathavadekar, Mukta and Biswal, Mandakini and Agarkar, Shruti A. and Giribabu, Lingamallu and Ogale, Satishchandra} } @article { ISI:000344989500005, title = {Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {46}, year = {2014}, month = {OCT}, pages = {25247-25250}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The red-shifts in the acetylenic C-H stretching vibration of C-H center dot center dot center dot X (X = O, N) hydrogen-bonded complexes increase with an increase in the basicity of the Lewis base. Analysis of various components of stabilization energy suggests that the observed red-shifts are correlated with the electrostatic component of the stabilization energy, while the dispersion modulates the stabilization energy.
}, issn = {1463-9076}, doi = {10.1039/c4cp04617j}, author = {Dey, Arghya and Mondal, Sohidul Islam and Sen, Saumik and Ghosh, Debashree and Patwari, G. Naresh} } @article { ISI:000344838700002, title = {Elements of managing transfer of technology from laboratory to industry: technology transfer management (TTM)}, journal = {Journal of Scientific \& Industrial Research}, volume = {73}, number = {11}, year = {2014}, month = {NOV}, pages = {704-710}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
This research paper throws light on problems faced by small, medium and large scale. chemical industries in managing the transfer of technology from laboratory to industry. There are several reasons that may increase cost and time overruns and thus causes inordinate delay in completing transfer of technology in both private and public sector projects. This paper also suggests solutions to eliminate the problems and underlines the importance of involving local and national R \& D institutes in effectively {\textquoteleft}{\textquoteleft}Managing Transfer of Chemical Technology{\textquoteright}{\textquoteright} into commercial practice. This communication presents {\textquoteleft}{\textquoteleft}a13 steps model{\textquoteright}{\textquoteright} developed by the researcher for efficient, smooth and effective transfer of technology. The findings have been duly supported by data interpretations, with appropriate examples of technology transfer and literature published. The primary data collection technique used is structured questionnaire as well as in-depth interviews of entrepreneurs, heads of R and D units and staff involved in technology transfer in chemical industries in and around Pane. The facts are also supported by the secondary analysis of literature published in related area. The basic objective of this communication is to communicate Technology Transfer Process Model (TTP) for effective commercialization of technology.
}, keywords = {Industrial Technology Commercialization, Multi Disciplinary Man Power Team (MDMPT), Technology Management, Technology Transfer, Technology Transfer Offices (TTO), Technology Transfer Process Model (TTP)}, issn = {0022-4456}, author = {Saraf, C. U.} } @article { ISI:000334731300013, title = {Elucidation of ionic interactions in the protic ionic liquid solutions by isothermal titration calorimetry}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {15}, year = {2014}, month = {APR}, pages = {4160-4168}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The strong hydrogen-bonded network noted in protic ionic liquids (PILs) may lead to stronger interactions of the ionic entities of PILs with solvents (water, methanol, ethylene glycol, climethylsulfoxide (DMSO), N,N{\textquoteright}-dimethylformamide (DMF)) as compared with those of aprotic ionic liquids (APILs). The PILs used in this work are 1-methylimidazolium tetrafluoroborate, 2-methylpyridinium tetrafluoroborate, and N-methylpyrrolodinium tetrafluoroborate in comparison to 1-butyl-3-methylimidazolium tetrafluoroborate, which is classified as an APIL. In this work, the excess partial molar enthalpy, H-IL(E) obtained from isothermal calorimetric titrations at 298.15 K is used to probe the nature of interactions of the PIL cations with solvent molecules against those present in APIL solvent systems. This work also reports interesting flip-flopping in the thermal behavior of these PIL-solvent systems depending upon the structure of the cationic ring of a PIL. In some cases, these flip-flops are the specific fingerprints for specific PILs in a common solvent environment. The excess partial molar enthalpy at infinite dilution, H-IL(E,infinity), of these PILs bears a critical dependence on the solvent properties. An analysis of relative apparent molar enthalpies, phi(L), of the PIL solutions by the ion interaction model of Pitzer yields important information on ionic interactions of these systems.
}, issn = {1520-6106}, doi = {10.1021/jp5019179}, author = {Rai, Gitanjali and Kumar, Anil} } @article {42444, title = {Employing arynes in transition-metal-free, N-heterocycles initiated multicomponent reactions}, journal = {Synlett}, volume = {25}, year = {2014}, month = {JAN}, pages = {608-614}, abstract = {
Transition-metal-free multicomponent reactions involving arynes, N-heterocycles, and various carbonyl compounds have been reported. With (iso)quinoline as the nucleophile and carbonyl compounds, such as aldehydes, ketones, and N-substituted isatins as electrophiles, the reaction afforded oxazino (iso)quinoline derivatives and the reaction proceeded via 1,4-dipolar intermediates. Interestingly, when the nucleophilic trigger used is pyridine, the reaction furnished indolin-2-one derivatives, and it is probable that the reaction proceeds via a pyridylidene intermediate.
}, keywords = {arynes - multicomponent reaction - oxindoles - pyridines - quinolines}, doi = {10.1055/s-0033-1340549}, author = {Bhunia, Anup and Biju, Akkattu T.} } @article { ISI:000344389000066, title = {Emulsion ionic liquid membranes (EILMs) for removal of Pb(II) from aqueous solutions}, journal = {RSC Advances}, volume = {4}, number = {94}, year = {2014}, month = {OCT}, pages = {52316-52323}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Ionic liquids (ILs) are playing increasingly important roles in the membrane separation processes. The present manuscript discusses the removal of Pb(II) ions from aqueous solution using an emulsion ionic liquid membrane (EILM) process. Initially, the emulsion liquid membrane (ELM) was prepared by stirring strip phase (sulphuric acid) and organic phase (surfactant: span 80, extractant: D2EHPA, diluent: hexane) together under high speed agitation. Note that, the parameters of the ELM process such as emulsification speed, pH of the feed phase, treat ratio, extractant and surfactant concentrations were studied for the maximum removal of Pb(II) ions. The role of IL was explored by adding hydrophobic IL, octylmethylimidazole hexafluorophosphine ([OMIM][PF6]), in the organic phase. The performance of ELM with and without IL was compared on the basis of stability, enrichment factor and the removal efficiency for Pb(II). The results showed that the percentage of Pb(II) extraction was complete by the emulsion membrane with IL (EILM) in comparison to the 97\% achieved by neat ELM. Further, the stability and the enrichment factor of the EILM were found to be 2-3 times greater than that of the ELM. The FT-IR spectroscopic analysis revealed that bond interactions between IL and membrane phase components avoided the coalescence of internal phase droplets and enhanced the emulsion stability. The results obtained in this work support the use of the IL [OMIM][PF6] as both a stabilizer and carrier for the overall improvement of the ELM process.
}, issn = {2046-2069}, doi = {10.1039/c4ra06485b}, author = {Lende, Avinash B. and Dinker, Manish K. and Bhosale, Vikas K. and Kamble, Sanjay P. and Meshram, Pawan D. and Kulkarni, Prashant S.} } @article { ISI:000364426500019, title = {Enantioselective heterogeneous bronsted acid catalysis}, journal = {Organic Chemistry Frontiers}, volume = {1}, number = {5}, year = {2014}, month = {MAR}, pages = {582-586}, publisher = {CHINESE CHEMICAL SOC}, address = {PO BOX 1-18, NANKANG, TAIPEI 115, TAIWAN}, abstract = {
This highlight describes the synthesis and catalytic activities of heterogeneous chiral Bronsted acid catalysts. The heterogeneous catalysts are stable, easily separable from the reaction mixture and can be used multiple times without any loss of activity. As a remarkable particularity, the use of heterogeneous catalyst systems has been exemplified for designing continuous flow reactors.
}, issn = {2052-4129}, doi = {10.1039/c4qo00051j}, author = {Mutyala, Anil Kumar and Patil, Nitin T.} } @article {46383, title = {Engineering of the tat pathway and chaperons}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {APR}, pages = {C273}, type = {Meeting Abstract}, keywords = {Protein transport, Signal sequence, Tat Pathway}, issn = {2053-2733}, author = {Ghosh, Deepanjan and Ramasamy, Sureshkumar} } @article { ISI:000334895800005, title = {Engineering reactors for catalytic reactions}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {341-351}, publisher = {Catalysis Soc India}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Catalytic reactions are ubiquitous in chemical and allied industries. A homogeneous or heterogeneous catalyst which provides an alternative route of reaction with lower activation energy and better control on selectivity can make substantial impact on process viability and economics. Extensive studies have been conducted to establish sound basis for design and engineering of reactors for practising such catalytic reactions and for realizing improvements in reactor performance. In this article, application of recent (and not so recent) developments in engineering reactors for catalytic reactions is discussed. Some examples where performance enhancement was realized by catalyst design, appropriate choice of reactor, better injection and dispersion strategies and recent advances in process intensification/ multifunctional reactors are discussed to illustrate the approach.
}, keywords = {Catalyst, effectiveness, engineering, hydrodynamics, reactors}, issn = {0974-3626}, author = {Ranade, Vivek V.} } @article { ISI:000337783800074, title = {Enhanced capacitance retention in a supercapacitor made of carbon from sugarcane bagasse by hydrothermal pretreatment}, journal = {Energy \& Fuels}, volume = {28}, number = {6}, year = {2014}, month = {JUN}, pages = {4233-4240}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A unique morphology-controlling protocol involving hydrothermal preprocessing before pyrolysis is presented to convert cellulosic waste in the form of sugarcane bagasse into three-dimensional (3D) interconnected, conducting, and high surface area carbon nanochannels. The large buffer spaces in such a porous carbon sample yield impressive electrochemical capacitance (C-sp) of 280 F/g at a current density of 1 A/g (and 275 F/g at 5 mV/s), with 72\% retention even at a very high current density of 20 A/g. In contrast, the non-hydrothermally treated sample exhibits a C-sp value of 180 F/g at 1 A/g and only 52\% retention at 20 A/g. The much better performance of the hydrothermally preprocessed bagasse-derived carbon (BHAC) can be ascribed to the solvent retention inside the buffer spaces created, negating the diffusional limitations of pore inaccessibility at higher scan rates. The BHAC has a high surface area of 1260 m(2)/g with a fairly good (11 wt \%) concentration of oxygen functionality. The material renders a good energy density of Wh/kg at a power density of 3.5 kW/kg and shows good cyclability of 90\% after 1000 charge/discharge cycles.
}, issn = {0887-0624}, doi = {10.1021/ef500342d}, author = {Wahid, Malik and Puthusseri, Dhanya and Phase, Deodatta and Ogale, Satishchandra} } @article { ISI:000340520500055, title = {Enhanced catalytic activity of polyethylenedioxythiophene towards tri-iodide reduction in DSSCs via 1-dimensional alignment using hollow carbon nanofibers}, journal = {Nanoscale}, volume = {6}, number = {17}, year = {2014}, month = {JUL}, pages = {10332-10339}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Here, we report a highly conducting 1-dimensionally (1-D) aligned polyethylenedioxythiophene (PEDOT) along the inner and outer surfaces of a hollow carbon nanofiber (CNF) and its application as a counter electrode in a dye sensitized solar cell (DSSC). The hybrid material (CP-25) displays a conversion efficiency of 7.16\% compared to 7.30\% for the standard Pt counter electrode, 4.48\% for bulk PEDOT and 5.56\% for CNF. The enhanced conversion efficiency of CP-25 is attributed to the accomplishment of high conductivity and surface area of PEDOT through the 1-D alignment compared to its bulk counterpart. Reduced charge transfer resistance and high conductivity of CP-25 could be proven by cyclic voltammetry, impedance analysis and Tafel experiments. Further, through a long-term stability test involving efficiency profiling for 20 days, it is observed that CP-25 possesses excellent durability compared to the bulk PEDOT.
}, issn = {2040-3364}, doi = {10.1039/c4nr00717d}, author = {Anothumakkool, Bihag and Game, Onkar S. and Bhange, Siddheshwar N. and Kumari, Tanya and Ogale, Satishchandra B. and Kurungot, Sreekumar} } @article { ISI:000341152600073, title = {Enhanced field emission properties of doped graphene nanosheets with layered SnS2}, journal = {Applied Physics Letters}, volume = {105}, number = {4}, year = {2014}, month = {JUL}, pages = {043109}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
We report here our experimental investigations on p-doped graphene using tin sulfide (SnS2), which shows enhanced field emission properties. The turn on field required to draw an emission current density of 1 mu A/cm(2) is significantly low (almost half the value) for the SnS2/reduced graphene oxide (RGO) nanocomposite (2.65 V/mu m) compared to pristine SnS2 (4.8 V/mu m) nanosheets. The field enhancement factor beta (similar to 3200 for the SnS2 and similar to 3700 for SnS2/RGO composite) was calculated from Fowler-Nordheim (F-N) plots, which indicates that the emission is from the nanometric geometry of the emitter. The field emission current versus time plot shows overall good emission stability for the SnS2/RGO emitter. The magnitude of work function of SnS2 and a SnS2/graphene composite has been calculated from first principles density functional theory (DFT) and is found to be 6.89 eV and 5.42 eV, respectively. The DFT calculations clearly reveal that the enhanced field emission properties of SnS2/RGO are due to a substantial lowering of the work function of SnS2 when supported by graphene, which is in response to p-type doping of graphene. (C) 2014 AIP Publishing LLC.
}, issn = {0003-6951}, doi = {10.1063/1.4892001}, author = {Rout, Chandra Sekhar and Joshi, Padmashree D. and Kashid, Ranjit V. and Joag, Dilip S. and More, Mahendra A. and Simbeck, Adam J. and Washington, Morris and Nayak, Saroj K. and Late, Dattatray J.} } @article { ISI:000341059100015, title = {Enhanced interaction of molecular oxygen with amino acid complexes of silver and gold clusters}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {53}, number = {8-9, SI}, year = {2014}, month = {AUG}, pages = {996-1000}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, type = {Article}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
Density functional theory calculations have been carried out to study the effect of amino acid adsorption on the reactivity of silver and gold clusters with molecular oxygen. It is found that the amino acids glycine and alanine form stable complexes with both Ag-4 and Au-4 clusters. However, the extent of interaction is more in the case of the Au-4 cluster, as reflected from the increase in binding energy in the amino acid Au-4 complexes. Our results confirm that the adsorption of amino acids glycine and alanine enhances the reactivity of Ag-4 and Au-4 clusters towards O-2 molecule. The enhanced reactivity of O-2 molecule towards the amino acid metal cluster complexes is manifested by an increase in the O-2 binding energy and a decrease in the M-O (M = Ag, Au) bond length. Moreover, it is found that the co-adsorption of amino acids and O-2 molecule on the Ag-4 and Au-4 clusters is cooperative.
}, keywords = {Amino acid complexes, Density functional calculations, Gold clusters, Metal clusters, Silver clusters, Theoretical chemistry}, issn = {0376-4710}, author = {Manzoor, Dar and Pal, Sourav} } @article { ISI:000338806600067, title = {Enhanced kinetics for the clathrate process in a fixed bed reactor in the presence of liquid promoters for pre-combustion carbon dioxide capture}, journal = {Energy}, volume = {70}, year = {2014}, month = {JUN}, pages = {664-673}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In this work, we present enhanced kinetics of hydrate formation for the clathrate process in the presence of two liquid promoters namely THF (tetrahydrofuran) and TBAB (tetra-n-butyl ammonium bromide) in a FBR (fixed bed reactor) for pre-combustion capture of CO2. Silica sand was used as a medium to capture CO2 from CO2/H-2 gas mixture by hydrate crystallisation. Experiments were performed at different temperatures (274.2 K and 279.2 K) and 6.0 MPa to determine the total gas uptake, induction time and rate of hydrate formation. The observed trends indicated that higher driving force resulted in higher gas consumption and significantly reduced induction time. For the same driving force, higher gas consumption and shorter induction time was achieved by THF as compared to TBAB. 5.53 mol\% THF attained higher gas consumption than 1.0 mol\% THF whereas 3.0 mol\% TBAB attained lower gas consumption than 0.3 mol\% TBAB. A highest gas uptake of 51.95 (+/- 5.183) mmol of gas/mol of water and a highest rate of 51.21(+/- 8.91) mol.min(-1).m(-3) were obtained for 5.53 mol\% THF at 6.0 MPa and 279.2 K. Overall, this study indicated better hydrate formation kinetics with the use of THF in an FBR configuration for CO2 capture from a fuel gas mixture. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon dioxide capture, Clathrate process, Fixed bed reactor, Gas hydrates, Pre-combustion capture, Promoters}, issn = {0360-5442}, doi = {10.1016/j.energy.2014.04.053}, author = {Babu, Ponnivalavan and Ho, Chie Yin and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000331828400019, title = {Enhanced mineralization of gaseous organic pollutant by photo-oxidation using Au-Doped TiO2/MCM-41}, journal = {Water Air and Soil Pollution}, volume = {225}, number = {2}, year = {2014}, month = {FEB}, pages = {1847}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The synthesis, characterization, and photocatalytic evaluation of titania-loaded MCM-41 with and without Au doping are reported in the present study. The samples were characterized by powder XRD, TEM, low temperature N-2 adsorption/desorption, UV-Vis, and FTIR. UV-induced vapor-phase photo-oxidation of acetone was used as a probe reaction to study the role of Au in mineralization of volatile organic compounds (VOCs), viz. acetone at different concentrations. The doping of Au in titania-loaded MCM-41 resulted in the decrease of BET surface area, total pore volume, and average pore size. UV-Vis diffuse reflectance spectra of Au-doped titania-loaded MCM-41 showed the red shift in their absorption bands compared to titania-loaded MCM-41. The activity of mineralization of acetone by photocatalysis for 2 \% Au-doped titania-loaded MCM-41 was found to be similar to 1.6 times higher than titania-loaded MCM-41. The presence of cocatalytic nanosized gold might be responsible for their enhanced activity on account of the delayed recombination of electron/hole pair. Although, almost complete mineralization of acetone was observed irrespective of the initial concentration of acetone in air (up to 3.72 mol\%) by all the catalysts, 2 wt.\% Au-doped titania-loaded MCM-41 has shown the most enhanced activity.
}, keywords = {Acetone, Doping, Gold, Mineralization of VOCs, Photo-oxidation, TiO2/MCM-41}, issn = {0049-6979}, doi = {10.1007/s11270-013-1847-z}, author = {Tangale, Nilesh P. and Belhekar, Anuja A. and Kale, Kishor B. and Awate, Shobhana V.} } @article { ISI:000341064800048, title = {Enhanced photoluminescence and photoactivity of plasmon sensitized nSiNWs/TiO2 heterostructures}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {33}, year = {2014}, month = {SEP}, pages = {17786-17791}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A light sensitive wide band gap radial heterojunction between TiO2 and nSiNWs sensitized by gold nanoparticles is reported. The surface plasmon of AuNPs influences the optical and photocurrent properties of the heterojunction considerably. Improvement in the band gap emission of TiO2 has been found at the expense of defect radiation. Excitation of AuNPs deposited on nSiNWs/TiO2 by light irradiation shows a wavelength-dependent photocurrent due to the increased photoactivity of the heterojunction.
}, issn = {1463-9076}, doi = {10.1039/c4cp01497a}, author = {Yenchalwar, Sandeep G. and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V.} } @conference { ISI:000352795700066, title = {Enhancement in the field emission behavior of graphene in N-2/O-2 high vacuum ambience}, booktitle = {2014 27th International Vacuum Nanoelectronics Conference (IVNC) }, series = {International Vacuum Nanoelectronics Conference}, year = {2014}, note = {27th International Vacuum Nanoelectronics Conference (IVNC), Engelberg, SWITZERLAND, JUL 06-10, 2014}, month = {JUL}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, organization = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {Engelberg, Switzerland}, abstract = {
Herein we report, pressure dependent field emission (FE) behaviour of a few-layer graphene emitter. Gas dependent FE properties have been investigated in ultra high vacuum (UHV), as well as in N-2 and O-2 ambience at base pressure similar to 1x10(-6) torr. Interestingly, the graphene emitter when operated in N-2/O-2 ambience exhibits lower turn-on field and higher emission current density, as compared to the UHV conditions. The emission current stability investigated at preset value of similar to 1 mu A over the period of more than 2 hrs is found better in the N2 ambience and is characterized by fewer fluctuations, in contrast to the behaviour in the O-2 ambience. The observed enhanced electron emission behavior in N-2/O-2 ambience is attributed to modulation of the work function of graphene emitter.
}, keywords = {graphene, Pressure Dependent Field Emission}, isbn = {978-1-4799-5306-6}, issn = {2164-2370}, doi = {10.1109/IVNC.2014.6894791}, author = {Suryawanshi, S. R. and Kolhe, Pankaj S. and Gavhane, D. S. and Patil, S. S. and Chavan, P. G. and More, Mahendra A. and Late, Dattatray J.}, editor = {Tsujino, S. and Gobrecht, J. and Paraliev, M. and Braun, H. H. and Groening, O. and Feurer, T.} } @article { ISI:000336254200003, title = {Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement}, journal = {CrystEngComm}, volume = {16}, number = {22}, year = {2014}, month = {JUN}, pages = {4677-4680}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Three Co based Zeolitic Imidazolate Frameworks (Co-ZIF-68, -69 and -81) which adopt a GME topology with high porosity have been synthesized. These Co-ZIFs show high CO2 (273 K/298 K) uptake compared to their isostructural Zn based analogues, which has been proved experimentally as well as by ab initio calculations.
}, issn = {1466-8033}, doi = {10.1039/c3ce42075b}, author = {Panda, Tamas and Gupta, Krishna M. and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000343018200079, title = {Enhancing cubosome functionality by coating with a single layer of poly-epsilon-lysine}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {19}, year = {2014}, month = {OCT}, pages = {17126-17133}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report the preparation and characterization of monoolein cubosomes that can be easily surface modified through adsorption of a single layer of cationic poly-epsilon-lysine. Poly-epsilon-lysine coated cubosomes show remarkable stability in serum solution, are nontoxic and, are readily internalized by HeLa cells. The poly-epsilon-lysine coating provides chemical handles for further bioconjugation of the cubosome surface. We also demonstrate that the initial release rate of a hydrophilic drug, Naproxen sodium, from the cubosomes is retarded with just a single layer of polymer. Interestingly, cubosomes loaded with Naproxen sodium, recently shown to have anticancer properties, cause more apoptosis in HeLa cells when compared to free unencapsulated drug.
}, keywords = {bioconjugation, cubosomes, drug delivery vehicle, dual loading, theranostics}, issn = {1944-8244}, doi = {10.1021/am5047872}, author = {Deshpande, Sonal and Venugopal, Edakkal and Ramagiri, Shobha and Bellare, Jayesh R. and Kumaraswamy, Guruswamy and Singh, Neetu} } @article { ISI:000330241000054, title = {Enzyme mediated synthesis of water-dispersible, naturally protein capped, monodispersed gold nanoparticles; their characterization and mechanistic aspects}, journal = {RSC Advances}, volume = {4}, number = {15}, year = {2014}, month = {JUL}, pages = {7729-7734}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Inorganic nanomaterials are conventionally synthesized under harsh environments like extremes of temperature, pressure and pH. These methods are eco-unfriendly, expensive, toxic, cumbersome, yield bigger particles which agglomerate due to not being capped by capping agents. In contrast, biological synthesis of inorganic nanomaterials occurs under ambient conditions viz. room temperature, atmospheric pressure, physiological pH and is reliable, eco-friendly and cheap. We have already reported the extracellular biosynthesis of monodispersed gold nanoparticles from the whole cells of novel extremophilic actinomycete Thermomonospora sp. In order to know the exact mechanism of synthesis, we decided to investigating it further. Here we describe the simple protocol for purification of the temperature and SDS resistant sulfite reductase enzyme and organic capping molecule, which are required for the synthesis and stabilization of gold nanoparticles respectively. This purified enzyme was then employed for the synthesis of gold nanoparticles along with the capping molecule, which render gold nanoparticles monodispersed in solution.
}, issn = {2046-2069}, doi = {10.1039/c3ra43888k}, author = {Khan, Shadab Ali and Ahmad, Absar} } @article { ISI:000328527000041, title = {Esterification of levulinic acid to ethyl levulinate over bimodal micro-mesoporous H/BEA zeolite derivatives}, journal = {Catalysis Communications}, volume = {43}, year = {2014}, month = {JAN}, pages = {188-191}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A series of bimodal micro-mesoporous H/BEA zeolite derivatives were prepared by the post-synthesis modification of H/BEA zeolite by NaOH (0.05 M-1.2 M) treatment Samples were characterized by powder XRD, low temperature nitrogen adsorption/desorption, temperature programmed desorption of ammonia and ICP. The mesopore formation was found to play a crucial role in liquid phase esterification of levulinic acid with ethanol. The enhanced catalytic activity of a bimodal micro-mesoporous H/BEA zeolite derivative (H/BEA(0.10)) prepared by treatment with 0.1M NaOH can be mainly attributed to the high mesoporosity coupled with better preserved crystallinity and acidic properties. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Esterification, ethyl levulinate, H/BEA zeolite, Mesoporosity, Post-synthesis modification}, issn = {1566-7367}, doi = {10.1016/j.catcom.2013.10.006}, author = {Patil, C. R. and Niphadkar, P. S. and Bokade, Vijay V. and Joshi, P. N.} } @article { ISI:000341764500007, title = {Esterification of renewable levulinic acid to ethyl levulinate biodiesel catalyzed by highly active and reusable desilicated H-ZSM-5}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {89}, number = {10}, year = {2014}, month = {OCT}, pages = {1507-1515}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
BACKGROUNDIn the near future, fossil fuel will have limitations in terms of availability and also great concerns over its environmental impact. New routes and related technologies based on renewable feedstocks can overcome most of these problems associated with fossil fuel. Among current biodiesel sources, ethyl levulinate (EL) biodiesel obtained from catalytic esterification of renewable levulinic acid (LA) with ethanol has received a great deal of attention. The use of desilicated H-ZSM-5 (DH-ZSM-5) as heterogeneous acid catalyst for EL biodiesel production in a closed system (under autogeneous pressure) was studied. RESULTSThe effect of reaction parameters such as ethanol to LA molar ratio (4:1 to 10:1), catalyst to LA ratio (0.10-0.25), speed of agitation (100-400rpm), particle size (53-355 mu m), reaction temperature (363-403K) and reaction time (7h) was investigated to maximize LA conversion. CONCLUSIONLevulinic acid conversion reached 95\% over DH-ZSM-5 and the catalyst was reusable for up to six cycles. This LA conversion and the catalyst reusability values are higher than others reported in the literature. A pseudo-homogeneous (P-H) kinetic model indicated that reaction rate constants increased with increasing molar ratio, catalyst to LA ratio and reaction temperature. The activation energy decreased from 73.14 to 21.08 kJ mol(-1) when increasing the catalyst to LA ratio from 0.10 to 0.25, which implies a kinetically controlled reaction. (c) 2013 Society of Chemical Industry
}, keywords = {desilicated H-ZSM-5, Esterification, ethyl levulinate, levulinic acid}, issn = {0268-2575}, doi = {10.1002/jctb.4228}, author = {Nandiwale, Kakasaheb Y. and Niphadkar, Prashant S. and Deshpande, Shilpa S. and Bokade, Vijay V.} } @article { ISI:000346371700012, title = {Evaluation of genetic variability in Symplocos laurina Wall. from two biodiversity hotspots of India}, journal = {Plant Systematics and Evolution}, volume = {300}, number = {10}, year = {2014}, month = {DEC}, pages = {2239-2247}, publisher = {SPRINGER WIEN}, address = {SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA}, abstract = {
Symplocos laurina Wall., an important medicinal tree species, is one of the pioneering plants for establishment of shola forest ecosystem. We analyzed 208 accessions of S. laurina from 13 populations belonging to three ecoregions in India namely, Western Ghats, Eastern Ghats and Northeast India, to comment on the genetic diversity and population structure of the species. Of the 100 inter simple sequence repeat primers screened, eight were selected based on their clear and reproducible polymorphic patterns. These eight ISSR primers produced on an average 1,014 bands from 208 accessions, of which 6.58 \% were rare bands, 55.96 \% were shared bands and 37.46 \% were similar bands. The primers, UBC835 and UBC880, amplified the highest number of polymorphic loci (16), while the primer UBC852 amplified the least number of amplicons (9). The values for total genetic diversity (H-T) and the average heterozygosity (H-S) were 0.3407 and 0.2263, respectively; while the coefficient of genetic differentiation (G(ST)) was 0.3358. Within-population variance was higher (68 \%) than among-population variance (17 \%), indicating high intra-population genetic diversity. These populations were grouped according to their geographical location in cluster analysis. Mantel test also showed significant positive correlation between genetic and geographical distances. The present study revealed the importance of the Palghat gap in South India in shaping the distribution of genetic diversity in S. laurina.
}, keywords = {Biodiversity hotspots, Genetic diversity, ISSR, Palghat gap, Symplocos laurina}, issn = {0378-2697}, doi = {10.1007/s00606-014-1046-4}, author = {Bhagwat, Rasika M. and Banu, Sofia and Dholakia, Bhushan B. and Kadoo, Narendra Y. and Lagu, Meena D. and Gupta, Vidya S.} } @article { ISI:000337539000009, title = {Evaluation of multipoint dosing strategy in a miniaturized tubular reactor: nitration of salicylic acid}, journal = {Chemical Engineering \& Technology}, volume = {37}, number = {6}, year = {2014}, month = {JUN}, pages = {927-937}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A 2D non-isothermal reaction engineering model for a tubular reactor was developed for a complex reaction network of salicylic acid nitration. The influence of different operating and design parameters was studied to minimize the amount of secondary nitration products and limit the maximum temperature inside the reactor. Critical temperature effects were observed for larger reaction tubes, whereas close to isothermal conditions were perceived in smaller tubes. With single-point dosing of both reactants, complete conversion can be achieved but formation of secondary nitration products cannot be avoided. For a given number of dosing points, a suitable combination of the operating parameters allowed to achieve complete conversion and better yield of the desired product.
}, keywords = {Multipoint injection, nitration, Plug-flow reactor, Salicylic acid, Tubular reactor}, issn = {0930-7516}, doi = {10.1002/ceat.201300427}, author = {Debnath, Soujoy and Kienle, Achim and Kulkarni, Amol A.} } @article { ISI:000327771500117, title = {Evaluation of n-type ternary metal oxide NiMn2O4 nanomaterial for humidity sensing}, journal = {Sensors and Actuators B-Chemical}, volume = {191}, year = {2014}, month = {FEB}, pages = {837-843}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Synthesis of mono-dispersed oleic acid (OA) capped NiMn2O4 (NMO) nanoparticles and their use for humidity sensing is reported. Oleic acid capped NMO (NMO-cOA) nanoparticles are synthesized from nickel oleate and manganese oleate complex. NiMn2O4 is obtained by removing oleic acid capping at 500 degrees C in air. X-ray diffraction analysis shows formation of pure NiMn2O4 phase which is also confirmed by HRTEM-SAED analysis. The TEM analysis also shows that the nanoparticles are nearly mono-dispersed. Doctor bladed films of NMO nanoparticles are seen to exhibit excellent humidity sensing property. The resistivity is seen to change by two orders with humidity change from 11\% RH to 92\% RH with fairly good linearity over the entire range. The response and recovery times are also fast. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Humidity, Impedance, Nanoparticles, NiMn2O4, Oleic acid, Sensor}, issn = {0925-4005}, doi = {10.1016/j.snb.2013.10.071}, author = {Gawli, Yogesh and Badadhe, Satish S. and Basu, Aniruddha and Guin, Debanjan and Shelke, Manjusha V. and Ogale, Satishchandra} } @article { ISI:000341831600037, title = {Evolution of an adenine-copper cluster to a highly porous cuboidal framework: solution-phase ripening and gas-adsorption properties}, journal = {Chemistry-A European Journal}, volume = {20}, number = {38}, year = {2014}, month = {SEP}, pages = {12262-12268}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The synthesis and directed evolution of a tetranu-clear copper cluster, supported by 8-mercapto-N9-propyladenine ligand, to a highly porous three-dimensional cubic framework in the solid state is reported. The structure of this porous framework was unambiguously characterized by Xray crystallography. The framework contains about 62\% solvent-accessible void; the presence of a free exocyclic amino group in the porous framework facilitates reversible adsorption of gas and solvent molecules. Oriented growth of framework in solution was also tracked by force and scanning electron microscopy studies, leading to identification of an intriguing ripening process, over a period of 30 days, which also revealed formation of cuboidal aggregates in solution. The elemental composition of these cuboidal aggregates was ascertained by EDAX analysis.
}, keywords = {cuboidal frameworks, gas adsorption, metal-organic frameworks, Ostwald ripening, solution-phase ripening}, issn = {0947-6539}, doi = {10.1002/chem.201403115}, author = {Venkatesh, V. and Pachfule, Pradip and Banerjee, Rahul and Verma, Sandeep} } @article { ISI:000338434800028, title = {Exceptionally high yields of furfural from assorted raw biomass over solid acids}, journal = {RSC Advances}, volume = {4}, number = {50}, year = {2014}, month = {MAY}, pages = {26215-26221}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Development of stable and recyclable solid acid catalysts in the efficient valorisation of hemicellulose to yield C-5 sugars and furfural is vital to boost the prospects of using lignocelluloses for chemicals synthesis. Using an silicoaluminophosphate, namely SAPO-44, as a catalyst, an environmentally benign process of furfural synthesis from diversified real substrates (without any treatment or the need for separation of its components) is shown. In an efficient one-pot methodology, at 443 K and in the presence of a biphasic solvent system, selective conversions of hemicelluloses from raw biomass (bagasse, rice husk and wheat straw) to extraordinarily high yields of furfural of about 93\% were attainable. Under similar reaction conditions, an 82\% yield of furfural is also achievable directly from isolated hemicellulose within 10 h. Hydrophilic SAPO-44, having higher hydrothermal stability, showed similar activity for all the substrates for a minimum of up to 8 times in recycling runs. Various physicochemical characterizations (X-ray diffraction, thermogravimetric analysis-derivative thermogravimetry, temperature programmed desorption-NH3, N-2 sorption, solid-state nuclear magnetic resonance spectroscopy) of fresh and spent catalysts were used to improve SAPO-44 stability.
}, issn = {2046-2069}, doi = {10.1039/c4ra04119d}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI:000345272700002, title = {Excited state geometry optimisation using fock-space multi-reference coupled cluster method}, journal = {Molecular Physics}, volume = {112}, number = {22}, year = {2014}, month = {NOV}, pages = {2884-2891}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
The Fock-space multi-reference coupled cluster method is used for the geometry optimisation of the low-lying excited states of the molecules. Molecular geometries of the carbon monohydride cation (CH)(+), water (H2O), ozone (O-3) and formaldehyde (HCHO) in their low-lying excited states are optimised. Excited state gradients are calculated using finite field multi-reference coupled cluster method. We compare our results with other theoretical and/or experimental results, wherever available.
}, keywords = {adiabatic excitation energy, excited state, Fock-space multi-reference coupled cluster, geometry optimisation, numerical derivative}, issn = {0026-8976}, doi = {10.1080/00268976.2014.915997}, author = {Dutta, Achintya Kumar and Bhattacharya, Sumantra} } @article { ISI:000343630500001, title = {Expedient preparative isolation and tandem mass spectrometric characterization of C-seco triterpenoids from neem oil}, journal = {Journal of Chromatography A}, volume = {1366}, year = {2014}, month = {OCT}, pages = {1-14}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
C-seco triterpenoids are widely bioactive class of natural products with high structural complexity and diversity. The preparative isolation of these molecules with high purity is greatly desirable, although restricted due to the complexity of natural extracts. In this article we have demonstrated a Medium Pressure Liquid Chromatography (MPLC) based protocol for the isolation of eight major C-seco triterpenoids of salannin skeleton from Neem (Azadirachta indica) oil. Successive application of normal phase pre-packed silica-gel columns for the fractionation followed by reverse phase in automated MPLC system expedited the process and furnished highly pure metabolites. Furthermore, eight isolated triterpenoids along with five semi-synthesized derivatives were characterized using ultra performance liquid chromatography-electrospray ionization-quadrupole/orbitrap-MS/MS spectrometry as a rapid and sensitive identification technique. The structure-fragment relationships were established on the basis of plausible mechanistic pathway for the generation of daughter ions. The MS/MS spectral information of the triterpenoids was further utilized for the identification of studied molecules in the complex extract of stem and bark tissues from Neem. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {ESI(+)-quadrupole/orbitrap-MS/MS, MPLC, Neem oil, Preparative isolation, Salannin, Triterpenoids}, issn = {0021-9673}, doi = {10.1016/j.chroma.2014.09.006}, author = {Haldar, Saikat and Mulani, Fayaj A. and Aarthy, Thiagarayaselvam and Dandekar, Devdutta S. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000343067700009, title = {Experimental determination of the electrostatic nature of carbonyl hydrogen-bonding interactions using IR-NMR correlations}, journal = {Journal of Physical Chemical Letters}, volume = {5}, number = {18}, year = {2014}, month = {AUG}, pages = {3211-3215}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Hydrogen-bonding plays a fundamental role in the structure, function, and dynamics of various chemical and biological systems. Understanding the physical nature of interactions and the role of electrostatics in hydrogen-bonding has been the focus of several theoretical and computational research. We present an experimental approach involving IR-C-13 NMR correlations to determine the electrostatic nature of carbonyl hydrogen-bonding interactions. This report provides a direct experimental evidence of the classical nature of hydrogen-bonding interaction in carbonyls, independent of any theoretical approximation. These results have important implications in chemistry and biology and can be applied to probe the reaction mechanisms involving carbonyl activation/stabilization by hydrogen bonds using spectroscopic techniques.
}, issn = {1948-7185}, doi = {10.1021/jz501613p}, author = {Kashid, Somnath M. and Bagchi, Sayan} } @article { ISI:000342545900037, title = {Extended coupled cluster method for potential energy surface: a decoupled approach}, journal = {Chemical Physics Letters}, volume = {612}, year = {2014}, month = {SEP}, pages = {209-213}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Extended coupled cluster (ECC) method has been implemented extensively for the calculation of molecular properties. In this Letter we report the potential energy surface (PES) study using coupled and a decoupled approximation of ECC. HF, N-2 and C-2 are studied as test systems. N-2 and C-2 being doubly and triply bonded, are considered to be interesting systems for PES study. We compare our results with full CI (FCI) results wherever available. Decoupled approach within ECC framework shows good convergence for all the molecules. (C) 2014 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2014.08.016}, author = {Joshi, Sayali P. and Vaval, Nayana} } @article { ISI:000332782600001, title = {Extracellular biosynthesis of gadolinium oxide (Gd2O3) nanoparticles, their biodistribution and bioconjugation with the chemically modified anticancer drug taxol}, journal = {Beilstein Journal of Nanotechnology}, volume = {5}, year = {2014}, month = {MAR}, pages = {249-257}, publisher = {BEILSTEIN-INSTITUT}, type = {Article}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {
As a part of our programme to develop nanobioconjugates for the treatment of cancer, we first synthesized extracellular, protein-capped, highly stable and well-dispersed gadolinium oxide (Gd2O3) nanoparticles by using thermophilic fungus Humicola sp. The biodistribution of the nanoparticles in rats was checked by radiolabelling with Tc-99m. Finally, these nanoparticles were bioconjugated with the chemically modified anticancer drug taxol with the aim of characterizing the role of this bioconjugate in the treatment of cancer. The biosynthesized Gd2O3 nanoparticles were characterized by UV-vis spectroscopy, transmission electron microscopy (TEM), X-ray diffraction (XRD) and X-ray photoemission spectroscopy (XPS). The Gd2O3-taxol bioconjugate was confirmed by UV-vis spectroscopy and fluorescence microscopy and was purified by using high performance liquid chromatography (HPLC).
}, keywords = {bioconjugation, biodistribution, gadolinium oxide, humicola sp, transmission electron microscopy}, issn = {2190-4286}, doi = {10.3762/bjnano.5.27}, author = {Khan, Shadab Ali and Gambhir, Sanjay and Ahmad, Absar} } @article { ISI:000340292800014, title = {Extracellular biosynthesis of metal sulfide nanoparticles using the fungus fusarium oxysporum}, journal = {Current Nanoscience}, volume = {10}, number = {4}, year = {2014}, month = {JUL}, pages = {588-595}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
The development of reliable, eco-friendly processes for the synthesis of nanomaterials is an important aspect of nanotechnology. One approach that shows immense potential is based on the biosynthesis of nanoparticles using microorganisms such as bacteria. In this report, we demonstrate the extracellular biosynthesis and complete characterization of metal sulfide (PbS, ZnS, MnS and NiS) nanoparticles using fungus, Fusarium oxysporum. We observed that the exposure of aqueous solution of 1 mM metal sulfate to fungus Fusarium oxysporum resulted in the formation of highly stable technologically important metal sulfide semiconductor nanoparticles. Fusarium oxysporum synthesizes lead sulfide and zinc sulfide nanoparticles of fractal type structure whereas manganese sulfide and nickel sulfide nanoparticles are of variable polydispersed morphology. The variable morphology may be due to the dissimilar interaction of metal sulfide nanoparticles with capping proteins secreted by the fungus in solution. The nanoparticles solution is found to be extremely stable with little evidence of aggregation even after a month of storage. The long term stability of the nanoparticles is due to the proteins secreted by fungus in the nanoparticle solution which bind to the surface of the nanoparticles and thus prevent aggregation.
}, keywords = {Biosynthesis, enzymes, fungi, metal sulfide, Nanoparticles}, issn = {1573-4137}, author = {Senapati, Satyajyoti and Syed, Asad and Khan, Shadab and Pasricha, Renu and Khan, Mohammad Islam and Kumar, Rajiv and Ahmad, Absar} } @article {45977, title = {Extracellular synthesis of silver nanoparticles using living peanut seedling}, journal = {Applied Nanoscience}, volume = {4}, year = {2014}, month = {OCT}, pages = {875-879}, type = {Article}, abstract = {
Synthesis of nanoparticles by environment friendly method is an important aspect of nanotechnology. In the present study, extracellular reduction of silver ions to silver nanoparticles was carried out using living peanut plant. The electron microscopic analysis shows that the formed nanoparticles were of different shapes and sizes. The formed nanoparticles were polydispersed. The shapes of the nanoparticles were spherical, square, triangle, hexagonal and rod. Most of the particles were spherical and 56 nm in size. EDS analysis confirmed the formed nanoparticles were of silver. The crystalline nature of nanoparticles was confirmed by diffraction. This method opens up an exciting possibility of plant-based synthesis of other inorganic nanomaterials. This study confirms the synthesis of extracellular silver nanoparticles by living plant.
}, keywords = {Nanoparticles, Shapes, Silver, synthesis, TEM}, issn = {2190-5509}, doi = {10.1007/s13204-013-0269-y}, author = {Raju, D. and Paneliya, Nikita and Mehta, Urmil J.} } @article { ISI:000345902500007, title = {Facile and convenient synthesis of (+/-)-Biotin via MgCl2/Et3N-mediated C-C coupling and mitsunobu reaction}, journal = {Synlett}, volume = {25}, number = {20}, year = {2014}, month = {DEC}, pages = {2879-2882}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A synthesis of (+/-)-biotin is described starting from simple starting materials viz. cyclohexanone and amino malonic acid ester. The key steps involved are MgCl2/Et3N coupling of amino malonic acid ester derivative and acid chloride, Mitsunobu reaction, ozonolysis, Staudinger reduction, novel urea formation, and subsequent dibenzylation. This approach is economical and involves high-yielding steps and simple reaction conditions.
}, keywords = {Appel reaction, biotin, Mitsunobu reaction, Ozonolysis, Staudinger reduction}, issn = {0936-5214}, doi = {10.1055/s-0034-1379365}, author = {Chavan, Subhash P. and Chavan, Prakash N. and Lasonkar, Pradeep B. and Khairnar, Lalit B. and Kadam, Appasaheb L.} } @article { ISI:000340306500026, title = {Facile esterification of carboxylic acid using amide functionalized benzimidazolium dicationic ionic liquids}, journal = {Applied Catalysis A-General}, volume = {482}, year = {2014}, month = {JUL}, pages = {214-220}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Herein, we report the synthesis of a new series of amide functionalized dicationic benzimidazolium based ionic liquids (DBimILs) and appraised their efficacy towards perceptive esterification of carboxylic acids with alkyl/allyl/aryl halides in presence of triethylamine. The amide groups present in this new series of DBimILs are expected to form hydrogen bonding with the carboxylic acids and this could facilitate the esterification reactions under mild conditions devoid of any added catalyst or organic solvent. The plausible mechanism for the enhanced catalytic activity in presence of this new series of ILs has been proposed. The corresponding alkyl/allyl/aryl esters isolated from this reaction were of high purity after simple extraction, which wipe out the necessity for further purification. This protocol addresses clean methodology and the efficient recyclability as well as reusability of the catalyst. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Benzimidazolium, Dicationic ionic liquids, Esterification, Homogenous catalysis}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.06.004}, author = {Muskawar, Prashant Narayan and Thenmozhi, K. and Gajbhiye, Jayant M. and Bhagat, Pundlik Rambhau} } @article {45972, title = {Facile gamma radiolytic synthesis of synergistic Co3O4-rGO nanocomposite: direct use in photocatalytic water splitting}, journal = { Materials Research Express}, volume = {1}, year = {2014}, month = {DEC}, pages = {045507}, type = {Artical}, abstract = {
Nanostructured Co3O4 was synthesized through a gamma (gamma)-radiolysis technique using alcoholic (iso-propanol) salt solutions of cobalt ions with and without suspended graphene oxide (GO) nanoparticles, respectively. Formation of Co3O4 accompanied with GO reduction takes place simultaneously (in situ) upon.-ray exposure carried out at a rate of 5.1 KGy h(-1). Reduction of GO and formation of Co3O4 were confirmed by XRD, Raman and UV-vis spectroscopy. XRD and HRTEM results supports the embedding of nano-crystalline Co3O4 in an amorphous matrix. Relatively larger crystallites of cobalt oxide obtained in the presence of rGO proved to be a decisive supporting material for the directional growth of Co3O4. Electrochemical characterization established the fact that rGO is indeed considered as a proficient medium for electrochemical electron transfer process. Photo-assisted H-2 generation studies using Co3O4 and Co3O4-rGO nano-composite yielded 3 and 30 mu mol h(-1) g(-1) of hydrogen (H-2) generation, respectively, supports the action of rGO as an electron trap.
}, keywords = {nano cobalt oxide, photocatalytic hydrogen production, Reduced graphene oxide}, issn = {2053-1591}, doi = {10.1088/2053-1591/1/4/045507}, author = {Gupta, Bhavana and Melvin, Ambrose A. and Matthews, Tom and Dash, S. and Tyagi, A. K.} } @article { ISI:000341065800011, title = {Facile method for the synthesis of Co-core Au-shell nanohybrid}, journal = {New Journal Of Chemistry}, volume = {38}, number = {9}, year = {2014}, month = {SEP}, pages = {4107-4114}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Heterostructured Co-Au core-shell nanoparticles have been synthesized by reducing AuCl4- ions on cobalt nanoparticles after a minor but effective modification of cobalt surface by an amine. The core shell morphology is emphatically confirmed by thorough investigation through UV-Vis spectroscopy, X-ray photoelectron spectroscopy (XPS), and transmission electron microscopic analysis (TEM). The chemical composition and topography were determined using STEM-HAADF analysis and EFTEM imaging. Fourier transform infrared (FTIR) spectroscopy confirms the surface modification of Co nanoparticles and the interactions involved between the ligands and the core and shell metals at various steps of the synthetic process. The magnetic properties confirm the material to be superparamagnetic in nature.
}, issn = {1144-0546}, doi = {10.1039/c4nj00733f}, author = {Sardar, Debasmita and Neogi, S. K. and Bandyopadhyay, Sanjoy and Satpati, Biswarup and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000329040500055, title = {Facile room temperature methods for growing ultra thin films of graphene nanosheets, nanoparticulate tin oxide and preliminary assessment of graphene-tin oxide stacked layered composite structure for supercapacitor application}, journal = {RSC Advances}, volume = {4}, number = {8}, year = {2014}, month = {DEC}, pages = {4094-4104}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report a novel, facile, single step process for growing highly uniform few layer graphene nanosheet (FLGNS) thin films over a micrometer scale, formed at the liquid-air interface. The process is further extended to form monolayer graphene nanosheets (GNS). The films are characterized by Raman spectroscopy, Atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS). The results indicate that very few chemical and/or physical defects are introduced during formation of films. Further, an innovative single step method to form tin oxide (SnO2) films at the liquid-air interface is presented. A special feature of the method is that entire process is completed at room temperature. The film can be suitably transferred to the desired substrates by Blodgett technique. Characterization by various techniques such as XPS, TEM and energy dispersive spectroscopy (EDS) shows that the films are made up of uniform spherical, crystalline SnO2 particles with the size in the range of 3-5 nm. Layer-by-layer (LbL) techniques can be exploited to stack graphene and SnO2 films alternately, in a desired sequence, forming a stacked composite structure. The composite structure is subjected to characterization by XPS, FE-SEM, TEM and EDS. The results show that the structure consists of a stack of predetermined thickness consisting of alternate layers of both the components. Such a structure is subjected to cyclic voltammetry (CV) studies. The results suggest LbL grown SnO2-GNS stacked composites exhibit better electrochemical performance in terms of specific capacitance and cycling ability which are primary requirements for the supercapacitor application. The coating techniques of few layer graphene nanosheets, SnO2 film and their stacked composite film are simple and inexpensive. A suitable explanation of the formation of both GNS and SnO2 films is discussed. The proposed methods extend the scope for production of high quality and defect free graphene nanosheets (GNS) and other components for forming LbL stacking of composite films.
}, issn = {2046-2069}, doi = {10.1039/c3ra46576d}, author = {Patil, Sagar and Patil, Virendra and Sathaye, Shivaram and Patil, Kashinath} } @article { ISI:000337507100014, title = {Facile room temperature synthesis of ZnO nanoflower thin films grown at a solid-liquid interface}, journal = {Journal of Materials Science}, volume = {49}, number = {17}, year = {2014}, month = {SEP}, pages = {5945-5954}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Hierarchical ZnO films consisting of nanoflower particulates are successfully grown by a solid-liquid interface reaction technique at room temperature without additives like surfactants, capping agent, or complexing agent. The structural, morphological, and photocatalytic properties of these films are studied using scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and UV-Vis spectroscopy. The nucleation, growth processes and hence the resulting morphology of the end product can be regulated by changing the concentration of LiOH and the time of reaction. SEM throws light on the chronology of the flower formation by studying the intermediate morphology. Electron microscopy results indicated that these ZnO nanostructures self-assembled to produce flower-like nanostructures. The highest photocatalytic efficiency was observed for the films prepared at the concentration of LiOH 0.5 mg/mL in ethanol at 24 h. On the basis of the results, a plausible growth mechanism for the formation of flower-like ZnO nanostructures is discussed.
}, issn = {0022-2461}, doi = {10.1007/s10853-014-8313-1}, author = {Jadhav, Aarti H. and Patil, Sagar H. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article { ISI:000332144600065, title = {Facile single-step synthesis of nitrogen-doped reduced graphene oxide-Mn3O4 hybrid functional material for the electrocatalytic reduction of oxygen}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {4}, year = {2014}, month = {FEB}, pages = {2692-2699}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Development of efficient electrocatalyst based on non-precious metal that favors the four-electron pathway for the reduction of oxygen in alkaline fuel cell is a challenging task. Herein, we demonstrate a new facile route for the synthesis of hybrid functional electrocatalyst based on nitrogen-doped reduced graphene oxide (N-rGO) and Mn3O4 with pronounced electrocatalytic activity towards oxygen reduction reaction (ORR) in alkaline solution. The synthesis involves one-step in situ reduction of both graphene oxide (GO) and Mn(VII), growth of Mn3O4 nanocrystals and nitrogen doping onto the carbon framework using a single reducing agent, hydrazine. The X-ray photoelectron (XPS), Raman and FTIR spectral, and X-ray diffraction measurements confirm the reduction of GO and growth of nanosized Mn3O4. The XPS profile reveals that N-rGO has pyridinic (40\%), pyrrolic (53\%), and pyridine N oxide (7\%) types of nitrogen. The Mn3O4 nanoparticles are single crystalline and randomly distributed over the wrinkled N-rGO sheets. The hybrid material has excellent ORR activity and it favors the 4-electron pathway for the reduction of oxygen. The electrocatalytic performance of the hybrid catalyst is superior to the N-rGO, free Mn3O4 and their physical mixture. The hybrid material shows an onset potential of -0.075 V, which is 60-225 mV less negative than that of the other catalyst tested. It has excellent methanol tolerance and high durability. The catalytic current density achieved with the hybrid material at 0.1 mg cm(-2) is almost equivalent to that of the commercial Pt/C (10\%). The synergistic effect of N-rGO and Mn3O4 enhances the overall performance of the hybrid catalyst. The nitrogen in N-rGO is considered to be at the interface to bridge the rGO framework and Mn3O4 nanoparticles and facilitates the electron transfer.
}, keywords = {electrocatalysis, hybrid material, Mn3O4, nitrogen-doped graphene, oxygen reduction, synergistic effect}, issn = {1944-8244}, doi = {10.1021/am405213z}, author = {Bag, Sourav and Roy, Kanak and Gopinath, Chinnakonda S. and Raj, C. Retna} } @article { ISI:000342117600027, title = {Facile synthesis of gamma-ketophosphonates by an intermolecular stetter reaction onto vinylphosphonates}, journal = {Organic Letters}, volume = {16}, number = {18}, year = {2014}, month = {SEP}, pages = {4798-4801}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The atom-economic and practical N-heterocyclic carbene (NHC) catalyzed Stetter reaction for the synthesis of gamma-ketophosphonates by the reaction of aromatic aldehydes with vinylphosphonates is reported. The NHC derived from N-mesitylimidazolium salt (IMes) was an effective catalyst for this transformation, and the products were formed in moderate to good yields.
}, issn = {1523-7060}, doi = {10.1021/ol502262d}, author = {Patra, Atanu and Bhunia, Anup and Biju, Akkattu T.} } @article { ISI:000340152000016, title = {Facile synthesis of the isoquinoline alkaloids doryanine and oxyhydrastinine}, journal = {Synthesis-Stuttgart}, volume = {46}, number = {14}, year = {2014}, month = {JUL}, pages = {1954-1956}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Starting from 4,5-(methylenedioxy)homophthalic acid, a concise and efficient synthesis of the isoquinoline alkaloids dory-anine and oxyhydrastinine is described via the corresponding homophthalimide utilizing a one-pot regioselective reductive dehydration and catalytic hydrogenation pathway.
}, keywords = {dehydration, homophthalic acid, homophthalimide, isoquinoline alkaloids, regioselective reduction}, issn = {0039-7881}, doi = {10.1055/s-0033-1341158}, author = {Jangir, Ravi and Gadre, Smita R. and N. P. Argade} } @article {43348, title = {Factors influence on growth, don and niv production by two species of fusarium isolated from finger millets [eleusine coracana l.]}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {6}, year = {2014}, month = {DEC}, pages = {312-317}, abstract = {ABSTRACT Objective: The present investigations (In vitro) on an influence of different synthetic and food based [flour] media, pH, temperature and microbial nutrients on growth, Deoxynivalenol [DON] and Nivalenol [NIV] production by Fusarium aethiopicum and F. culmorum was carried out. Methods: Fusarium species associated with the finger millets were isolated and identified phenotypically and further confirmed by molecular methods by Polymerase Chain Reaction [PCR]. Monosporic seven day old F. aethiopicum and F. culmorum were grown in CYA broth and incubated at 27{\textpm}2{\textdegree}C on rotary shaker for 21 days at 120 rpm. At the end of 21 day incubation period, cultures were harvested for determination of fungal biomass. The resultant culture filtrates were extracted twice with ethyl acetate and concentrated to get and final concentration of 1 ml in methanol and employed for RP-HPLC analysis for detection of DON and NIV production. Results: Finger millets flour medium induced the highest amount of mycelial growth, DON and NIV production by F. aethiopicum. However, F. culmorum achieved highest amount of hyphal growth, DON and NIV production under the influence of yeast extract sucrose [YES] medium. Maize flour medium, rice flour medium and sorghum flour medium was next preffered substrates. Optimum pH of 5.5-6.5 and temperature of 20-35{\textdegree}C for growth, DON and NIV production was observed. Both the species of Fusarium failed to grow and produce toxins at pH 2.5-3.5 and temperature of 40{\textdegree}C. Yeast extract was most favorable for maximum DON and NIV production, which increased with an increase in its concentration. On the other hand, malt extract and beef extract induced good growth and mycotoxin production at comparatively higher concentration in both the species of Fusarium under study. Conclusion: Comparatively food based media were the better substrates than synthetic media for both growth and DOIN and NIV production by two species of Fusarium under investigation. A positive correlation coefficient [r] on growth [0.458], DON [0.744] and NIV [0.882] was recorded among the media and both the species of Fusarium. Keywords: Finger millets, F. aethiopicum, F. culmorum, Synthetic media, pH, Temperature, Microbial nutrients, DON, NIV, HPLC}, author = {Vankudoth, Koteswara Rao and Penugonda, Shilpa and Sivadevuni, Girisham and Reddy, S. M.} } @article {46390, title = {Ferromagnetic tetranuclear Cu(II) complex: catecholase and phenoxazinone synthase activities}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C926}, type = {Meeting Abstract}, keywords = {catalysis, Ferromagnetic, Tetranuclear copper}, issn = {2053-2733}, author = {Mitra, Merry and Kundu, Tanay and Kaur, Gurpreet and Sharma, Gyaneswar and Choudhury, Angshuman Roy and Singh, Yogesh and Ghosh, Rajarshi} } @article { ISI:000338401900019, title = {Ferromagnetism at room temperature in activated graphene oxide}, journal = {Chemical Physics Letters}, volume = {605}, year = {2014}, month = {JUN}, pages = {89-92}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
High room temperature ferromagnetic moment with high Curie temperature (\>700 K) for graphene oxide (GO) is obtained by a simple chemical activation using phosphoric acid followed by heat treatment at 800 degrees C. The field and temperature variations of the magnetization data indicate ferromagnetic, paramagnetic and diamagnetic contributions in the acid/heat treated sample. IR spectroscopic studies suggest hydrogenation (reduction) of GO after the acid and heat treatments. The results point to the role of defects, extent of hydrogenation, changes in the bonding characteristics and the nature of the functional groups in determining the different magnetic contributions. (C) 2014 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2014.05.027}, author = {Raj, K. Govind and Joy, Pattayil Alias} } @article { ISI:000341122000068, title = {Fe-TAML encapsulated inside mesoporous silica nanoparticles as peroxidase mimic: femtomolar protein detection}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {16}, year = {2014}, month = {AUG}, pages = {13866-13873}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Peroxidase, such as horseradish peroxidase (HRP), conjugated to antibodies are routinely used for the detection of proteins via an ELISA type assay in which a critical step is the catalytic signal amplification by the enzyme to generate a detectable signal. Synthesis of functional mimics of peroxidase enzyme that display catalytic activity which far exceeds the native enzyme is extremely important for the precise and accurate determination of very low quantities of proteins (fM and lower) that is necessary for early clinical diagnosis. Despite great advancements, analyzing proteins of very low abundance colorimetrically, a method that is most sought after since it requires no equipment for the analysis, still faces great challenges. Most reported HRP mimics that show catalytic activity greater than native enzyme (similar to 40-fold) are based on metal/metal-oxide nanoparticles such as Fe3O4. In this paper, we describe a second generation hybrid material developed by us in which approximately 25 000 alkyne tagged biuret modified Fetetraamido macrocyclic ligand (Fe-TAML), a very powerful small molecule synthetic HRP mimic, was covalently attached inside a 40 nm mesoporous silica nanopartide (MSN). Biuret-modified Fe-TAMLs represent one of the best small molecule functional mimics of the enzyme HRP with reaction rates in water close to the native enzyme and operational stability (pH, ionic strength) far exceeding the natural enzyme. The catalytic activity of this hybrid material is around 1000-fold higher than that of natural HRP and 100-fold higher than that of most metal/metal oxide nanoparticle based HRP mimics reported to date. We also show that using antibody conjugates of this hybrid material it is possible to detect and, most importantly, quantify femtomolar quantities of proteins colorimetrically in an ELISA type assay. This represents at least 10-fold higher sensitivity than other colorimetric protein assays that have been reported using metal/metal oxide nanoparticles as HRP mimic. Using a human IgG expressing cell line, we were able to demonstrate that the protein of interest human IgG could be detected from a mixture of interfering proteins in our assay.
}, keywords = {colorimetrically, immuno assay, MSN, peroxidase mimic, signal amplification}, issn = {1944-8244}, doi = {10.1021/am503275g}, author = {Kumari, Sushma and Dhar, Basab B. and Panda, Chakadola and Meena, Abhishek and Sen Gupta, Sayam} } @article { ISI:000330953700003, title = {Fictibacillus enclensis sp nov., isolated from marine sediment}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {3}, year = {2014}, month = {MAR}, pages = {461-469}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A novel Gram-positive strain, designated NIO-1003(T), was isolated from a marine sediment sample collected from the Chorao Island, Goa Provence, India. Strain NIO-1003(T) was found to be strictly aerobic, motile, endospore-forming rods. Phylogenetic analysis based on 16S rRNA gene sequences indicated that strain NIO-1003(T) belongs to the genus Fictibacillus and to be most closely related to Fictibacillus rigui KCTC 13278(T), Fictibacillus solisalsi KCTC 13181(T) and Fictibacillus barbaricus DSM 14730(T) with 98.2, 98.0 and 97.2 \% similarity and 25, 28, 39 nucleotide differences respectively. Strain NIO-1003(T) was characterized by having cell-wall peptidoglycan based on meso-diaminopimelic acid and MK-7 as the predominant menaquinone. The polar lipid profile exhibited the major compounds diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine. In addition, minor amounts of an aminophospholipid were detected. The major fatty acids were identified as ai-C-15:0, iso-C-15:0, ai-C-17:0 and C-16:0, supporting the grouping of strain NIO-1003(T) into the family Bacillaceae. The DNA G+C content of strain NIO-1003(T) was determined to be 42.6 mol\%. On the basis of phenotypic properties, phylogeny and DNA-DNA hybridisation analysis, strain NIO-1003(T) is considered to represent a novel species of the genus Fictibacillus for which the name Fictibacillus enclensis sp. nov. is proposed. The type strain is NIO-1003(T) (= NCIM 5458(T) = DSM 25142(T)).
}, keywords = {Chorao Island, Fictibacillus sp., Polyphasic taxonomy}, issn = {0003-6072}, doi = {10.1007/s10482-013-0097-9}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Srinivasan, Krishnamurthi and Tang, Shan-Kun and Lee, Jae-Chan and Ramana, V. Venkata and Shouche, Yogesh S.} } @article { ISI:000346266000074, title = {Field emission properties of ZnO nanosheet arrays}, journal = {Applied Physics Letters}, volume = {105}, number = {23}, year = {2014}, month = {DEC}, pages = {233101}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
{Electron emission properties of electrodeposited ZnO nanosheet arrays grown on Indium tin oxide coated glass substrates have been studied. Influence of oxygen vacancies on electronic structures and field emission properties of ZnO nanosheets are investigated using density functional theory. The oxygen vacancies produce unshared d electrons which form an impurity energy state; this causes shifting of Fermi level towards the vacuum, and so the barrier energy for electron extraction reduces. The ZnO nanosheet arrays exhibit a low turn-on field of 2.4 V/mu m at 0.1 mu A/cm(2) and current density of 50.1 mu A/cm(2) at an applied field of 6.4 V/mu m with field enhancement factor
}, issn = {0003-6951}, doi = {10.1063/1.4903271}, author = {Naik, Kusha Kumar and Khare, Ruchita T. and Chakravarty, Disha and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Rout, Chandra Sekhar} } @article { ISI:000328956700038, title = {Film forming polymeric ionic liquids (PILs) based on polybenzimidazoles for CO2 separation}, journal = {RSC Advances}, volume = {4}, number = {9}, year = {2014}, month = {JAN}, pages = {4500-4503}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
PILs are emerging as promising materials for CO2 capture. Film formation, which is a requisite for membrane formation, is induced in a family of PILs by N-substituting a rigid thermo-mechanically stable polybenzimidazole, followed by metathesis. This provided two IL groups per repeat unit of the PIL and enhanced the CO2 separation characteristics.
}, issn = {2046-2069}, doi = {10.1039/c3ra44632h}, author = {Kumbharkar, Santosh C. and Bhavsar, Rupesh S. and Kharul, Ulhas K.} } @article { ISI:000343624300030, title = {First iodocyclization reaction of allene-thioureas: an efficient approach to bicyclic beta-lactams}, journal = {Tetrahedron Letters}, volume = {55}, number = {43}, year = {2014}, month = {OCT}, pages = {5998-6000}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The regioselective iodocyclization reaction of allene-thioureas is described, for the first time, for the synthesis of bicyclic beta-lactams. The substitution at the allenyl part heavily influenced the iodocyclization reaction. The iodocyclization reaction of the unsubstituted allene-thioureas afforded six-membered 3-thia-1-dethiacephems whereas, the substituted allene-thiourea afforded seven-membered thiazepines along with five-membered isopenams. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Allene, beta-Lactams, Iodocyclization, Regioselective, thiourea}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.09.004}, author = {Garud, Dinesh R. and Jadhav, Amol R. and Lahore, Santosh V. and Kahar, Nilesh M. and Joshi, Rohini R. and Joshi, Ramesh A. and Koketsu, Mamoru} } @article { ISI:000332208200024, title = {Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N, N {\textquoteleft} linkers}, journal = {CrystEngComm}, volume = {16}, number = {11}, year = {2014}, month = {DEC}, pages = {2305-2316}, abstract = {
{Dicarboxylate supported metal organic hybrids of Co(II), Zn(II) and Cd(II) have been synthesized using two different pyridyl based N, N{\textquoteright} linkers having Schiff base functionalized site. The use of flexible dicarboxylate glutarate in designing such frameworks has created a marked diversity in topology. The different N, N{\textquoteright} donor linkers also played an active part in the channel modification in the synthesized MOFs. The structural and topological diversity has been analyzed from the single crystal X-ray structure. Five compounds, {[Co(azpy)(glut)]center dot(CH3OH)}(n) (1), {[Co(meazpy)(glut)(H2O)(2)]center dot (H2O)(3)
}, author = {Dey, Rajdip and Bhattacharya, Biswajit and Pachfule, Pradip and Banerjee, Rahul and Ghoshal, Debajyoti} } @article { ISI:000340267600082, title = {Flexible microwave absorbers based on barium hexaferrite, carbon black, and nitrile rubber for 2-12 GHz applications}, journal = {Journal of Applied Physics}, volume = {116}, number = {2}, year = {2014}, month = {JUL}, pages = {024902}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Flexile single layer electromagnetic wave absorbers were designed by incorporating appropriate amounts of carbon black in a nitrile butadiene rubber matrix along with an optimized amount of magnetic counterpart, namely, barium hexaferrite for applications in S, C, and X-bands. Effective dielectric permittivity and magnetic permeability were measured using cavity perturbation method in the frequency range of 2-12 GHz. The microwave absorbing characteristics of the composites were studied in the S, C, and X-bands employing a model in which an electromagnetic wave is incident normally on a metal terminated single layer. Reflection loss exceeding -20 dB is obtained for all the samples in a wide frequency range of 2-12 GHz when an appropriate absorber thickness between 5 and 9 mm is chosen. The impact of carbon black is clearly observed in the optimized composites on the mechanical strength, thickness, band width of absorption, dielectric properties, and absorptivity. (C) 2014 AIP Publishing LLC.
}, issn = {0021-8979}, doi = {10.1063/1.4886382}, author = {Vinayasree, S. and Soloman, M. A. and Sunny, Vijutha and Mohanan, P. and Kurian, Philip and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000341883700033, title = {Flexible, polymer-supported synthesis of sphingosine derivatives provides ceramides with enhanced biological activity}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {22}, number = {19}, year = {2014}, month = {OCT}, pages = {5506-5512}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A polymer-supported route for the synthesis of sphingosine derivatives is presented based on the C-acylation of polymeric phosphoranylidene acetates with an Fmoc-protected amino acid. The approach enables the flexible variation of the sphingosine tail through a deprotection-decarboxylation sequence followed by E-selective Wittig olefination cleavage. D-Erythro-sphingosine analogs have been synthesized by diastereoselective reduction of the keto group employing LiAlH(O-tBu)(3) as reducing agent. The effect of ceramides and keto-ceramides on the proliferation of three cancer cell lines HEP G-2, PC-12 and HL-60 was investigated and a ceramide containing an aromatic sphingosine tail was identified as being most active. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Apoptosis, Ceramide, Lipid rafts, Lipids, Sphingosine}, issn = {0968-0896}, doi = {10.1016/j.bmc.2014.07.024}, author = {El-Dahshan, Adeeb and Al-Gharabli, Samer I. and Radetzki, Silke and Al-Tel, Taleb H. and Kumar, Pradeep and Rademann, Joerg} } @article { ISI:000346833500005, title = {Flow of granular matter in a silo with multiple exit orifices: jamming to mixing}, journal = {Physical Review E}, volume = {90}, number = {6}, year = {2014}, month = {DEC}, pages = {062206}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
We investigate the mixing characteristics of dry granular material while draining down a silo with multiple exit orifices. The mixing in the silo, which otherwise consists of noninteracting stagnant and flowing regions, is observed to improve significantly when the flow through specific orifices is stopped intermittently. This momentary stoppage of flow through the orifice is either controlled manually or is chosen by the system itself when the orifice width is small enough to cause spontaneous jamming and unjamming. We observe that the overall mixing behavior shows a systematic dependence on the frequency of closing and opening of specific orifices. In particular, the silo configuration employing random jamming and unjamming of any of the orifices shows early evidence of chaotic mixing. When operated in a multipass mode, the system exhibits a practical and efficient way of mixing particles.
}, issn = {1539-3755}, doi = {10.1103/PhysRevE.90.062206}, author = {Kamath, Sandesh and Kunte, Amit and Doshi, Pankaj and Orpe, Ashish V.} } @article { ISI:000340591000030, title = {Fluorescent polymeric ionic liquids for the detection of nitroaromatic explosives}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {34}, year = {2014}, month = {JUL}, pages = {13983-13989}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report, for the first time, applicability of film forming polymeric ionic liquids (PILs) possessing pyrene and anthracene fluorophores for the detection of nitroaromatics (NACs). These functionalized PILs were synthesized via post modification of thermo-chemically and mechanically stable polybenzimidazole (PBI). Formed PILs were evaluated for their ability to detect NACs through quenching of fluorescence intensity. Quenching of fluorescence intensity in solution state for NACs, such as nitrobenzene (NB), 2,4,6-trinitrotoluene (TNT) and picric acid (PA), was found to be rapid in both the PILs possessing pyrene and anthracene. The solution-phase Stern-Volmer quenching constants for PA were higher than for other NACs. After these promising results, self-standing films (similar to 12 mm thick) were also evaluated for fluorescence quenching by NACs as well as possible interferents of different nature. These films also exhibited rapid and selective fluorescence quenching when exposed to the saturated vapors of NACs at ambient temperature and pressure. Fluorescence emission of PIL films was affected little by the presence of commonly found interferents. Furthermore, fluorescence intensity could be recovered after the quenching, enabling the reuse of these PIL films for detection of NACs. Smart performance of these films and ease of preparation qualify them as attractive candidates in developing sensor devices for sensitive NACs detection in presence of possible interferents.
}, issn = {2050-7488}, doi = {10.1039/c4ta02766c}, author = {Shaligram, Sayali and Wadgaonkar, Prakash P. and Kharul, Ulhas K.} } @article { ISI:000330083100010, title = {Formation of a pseudo-beta-hairpin motif utilizing the Ant-Pro reverse turn: consequences of stereochemical reordering}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {5}, year = {2014}, month = {FEB}, pages = {774-782}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein, we report a special case of pseudo-beta-hairpin formation by tetrapetide sequences featuring a two-membered Ant Pro dipeptide motif (Ant = anthranilic acid and Pro = proline) at the loop region. These folded structures uniquely feature the presence of C9- and C17-H-bonding patterns at reverse turn and interstrand regions, respectively. Their hairpin nucleation and folding propensities have been expounded using solution and solid state studies of distinct stereochemically altered sequences.
}, issn = {1477-0520}, doi = {10.1039/c3ob42016g}, author = {Nair, Roshna V. and Kotmale, Amol S. and Dhokale, Snehal A. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000338980500002, title = {Formation of a room temperature stable Fe-V(O) complex: reactivity toward unactivated C-H bonds}, journal = {Journal of American Chemical Society}, volume = {136}, number = {27}, year = {2014}, month = {JUL}, pages = {9524-9527}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An Fe-V(O) complex has been synthesized from equimolar solutions of (Et4N)(2)[Fe-III(Cl)(biuretamide)] and mCPBA in CH3CN at room temperature. The Fe-V(O) complex has been characterized by UV-vis, EPR, Mossbauer, and HRMS and shown to be capable of oxidizing a series of alkanes having C-H bond dissociation energies ranging from 99.3 kcal mol(-1) (cyclohexane) to 84.5 kcal mori (cumene). Linearity in the Bell-Evans-Polayni graph and the finding of a large kinetic isotope effect suggest that hydrogen abstraction is engaged the rate-determining step.
}, issn = {0002-7863}, doi = {10.1021/ja412537m}, author = {Ghosh, Munmun and Singh, Kundan K. and Panda, Chakadola and Weitz, Andrew and Hendrich, Michael P. and Collins, Terrence J. and Dhar, Basab B. and Sen Gupta, Sayam} } @article { ISI:000345654000087, title = {From micron to nano-curcumin by sophorolipid co-processing: highly enhanced bioavailability, fluorescence, and anti-cancer efficacy}, journal = {RSC Advances}, volume = {4}, number = {104}, year = {2014}, month = {NOV}, pages = {60334-60341}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Co-sonication of curcumin and acidic sophorolipid in aqueous solution is shown to lead to a dramatic enhancement of curcumin bioavailability through size reduction and encapsulation. The interaction between the two is studied and discussed based on optical absorption, photoluminescence, dynamic light scattering (DLS), zeta potential, FE-SEM, TEM, Infrared spectroscopy and X-ray diffraction measurements. The cytotoxicity effects of curcumin on breast cancer cell lines, MCF-7 and MDA-MB-231, are shown to be significantly enhanced by the formation of its complex with sophorolipid. The relative cytotoxicity of curcumin with its SL(A) complex is more due to the presence of the glucose moiety. The results further suggest that sophorolipid based formulations, which solubilize and nano-encapsulate curcumin after lipid digestion, show great potential for curcumin cell entry.
}, issn = {2046-2069}, doi = {10.1039/c4ra07300b}, author = {Singh, Pradeep Kumar and Wani, Kirtee and Kaul-Ghanekar, Ruchika and Prabhune, Asmita and Ogale, Satishchandra} } @article {46360, title = {From waste paper basket to solid state and Li-HEC ultracapacitor electrodes: a value added journey for shredded office paper}, journal = {Small}, volume = {10}, year = {2014}, month = {NOV}, pages = {4395-4402}, type = {Article}, abstract = {
Hydrothermal processing followed by controlled pyrolysis of used white office paper (a globally collectable shredded paper waste) are performed to obtain high surface area carbon with hierarchical pore size distribution. The BET specific surface area of such carbon is 2341 m 2 g(-1). The interconnected macroporous structure along with the concurrent presence of mesopores and micropores makes the material ideal for ultracapacitor application. Such waste paper derived carbon (WPC) shows remarkable performance in all solid-state supercapacitor fabricated with ionic liquid-polymer gel electrolyte. At room temperature, the material exhibits a power density of 19 000 W kg(-1) with an energy capability of 31 Wh kg(-1). The Li-ion electrochemical capacitor constructed using WPC as cathode also shows an excellent energy storage capacity of 61 Wh kg(-1)
}, issn = {1613-6810}, doi = {10.1002/smll.201401041}, author = {Puthusseri, Dhanya and Aravindan, Vanchiappan and Anothumakkool, Bihag and Kurungot, Sreekumar and Madhavi, Srinivasan and Ogale, Satishchandra} } @article {43368, title = {Function of metals and supports on the hydrodeoxygenation of phenolic compounds}, journal = {ChemPlusChem}, volume = {79}, year = {2014}, month = {NOV}, pages = {1573-1583}, abstract = {
Hydrodeoxygenation (HDO) is an important process for removing oxygen from lignin-derived phenolic monomers to obtain chemicals that can be used as fuel or fuel additives. A systematic study is performed to check the effects of supports (acidic, neutral, basic) and noble metals (Pd, Pt, Ru) on the HDO of phenol, guaiacol, and eugenol. Evaluation of the combinations of metals and supports under the similar reaction conditions shows that the metals supported on a highly acidic support (SiO2-Al2O3) yield complete hydrogenation products with the possibility of C[BOND]O bond cleavage to achieve a real HDO activity, whereas on a mildly acidic support (gamma-Al2O3), a complicated product distribution is achieved, and neutral (C) and basic (HT) supports give restricted hydrogenation activity but yield the products with very high selectivity. On the basis of the results, reaction pathways are suggested and deliberated. The catalysts show reproducible activity in recycle runs. The catalysts are characterized by various techniques (XRD, TEM, TPD, ICP-OES) to establish the catalyst activityproperty relationship.
}, doi = {10.1002/cplu.201402145}, author = {Deepa, Ayillath K. and Dhepe, Paresh L.} } @article { ISI:000328650000032, title = {Functional isoDNA aptamers: modified thrombin binding aptamers with a 2{\textquoteright}-5{\textquoteright}-linked sugarphosphate backbone (isoTBA)}, journal = {Chemical Communications}, volume = {50}, number = {5}, year = {2014}, month = {NOV}, pages = {605-607}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The regioisomeric 3{\textquoteright}-deoxy-2{\textquoteright}-5{\textquoteright}-linked thrombin binding DNA aptamers (isoTBAs) were chemically synthesized and their ability to form unimolecular anti-parallel G-quadruplexes in the presence of K+ ions was evaluated. These modified sequences retain the function of the native thrombin binding aptamer (TBA), exhibit better stability against exonuclease and are capable of slowing down the process of blood clotting.
}, issn = {1359-7345}, doi = {10.1039/c3cc47569g}, author = {Gunjal, Anita D. and Fernandes, Moneesha and Erande, Namrata D. and Rajamohanan, P. R. and Kumar, Vaijayanti A.} } @article { ISI:000334440200001, title = {Functional silicon nanostructures derived from drying-mediated self-assembly of gold nanoparticles}, journal = {Journal of Nanoparticle Research}, volume = {16}, number = {5}, year = {2014}, month = {APR}, pages = {2372}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Self-assembly of nanoparticles is an efficient technique where nanobuilding blocks spontaneously organize into ordered structures by thermodynamic and other constraints. We demonstrate that multifunctional Silicon (Si) nanostructures with unique morphologies like sheets, plates and flakes can be etched chemically by taking an advantage of natural self-assembly of gold nanoparticles (AuNPs) characterized with drying kinetics under external stimuli. We further demonstrated antireflection properties of the as-synthesized Si nanostructures.
}, keywords = {Antireflective material, gold nanoparticles, Metal-assisted chemical etching, Self-assembly, Si Nanostructures}, issn = {1388-0764}, doi = {10.1007/s11051-014-2372-8}, author = {Deshmukh, Ashvini B. and Devarapalli, Rami Reddy and Shelke, Manjusha V.} } @article { ISI:000333581400004, title = {Functionalization of cardanol: towards biobased polymers and additives}, journal = {Polymer Chemistry}, volume = {5}, number = {9}, year = {2014}, month = {OCT}, pages = {3142-3162}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Among the renewable resource materials, cashew nut shell liquid (CNSL) is considered as an important starting material due to its unique structural features, abundant availability and low cost. A large number of chemicals and products have been developed starting from CNSL by taking advantage of the three reactive sites, namely, phenolic hydroxyl, aromatic ring and unsaturation(s) in the alkenyl side chain. This comprehensive review deals with general information on CNSL, its purification and separation methods, reactivity and applications in polymer chemistry.
}, issn = {1759-9954}, doi = {10.1039/c3py01194a}, author = {Voirin, Coline and Caillol, Sylvain and Sadavarte, Nilakshi V. and Tawade, Bhausaheb V. and Boutevin, Bernard and Wadgaonkar, Prakash P.} } @article { ISI:000333787700019, title = {Functionalized celluloses and their nanoparticles: morphology, thermal properties, and solubility studies}, journal = {Carbohydrate Polymers}, volume = {104}, year = {2014}, month = {APR}, pages = {135-142}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Agricultural residues derived cellulose was used to synthesize a new series of carboxy functionalized cellulosic nanoparticles (quasi-spherical shaped, 13.2-21.5\% carboxyl content) and macro-sized 6-carboxycelluloses (long-fibril shaped, 1.7-22\% carboxyl content). The DP (50-70) and yield (upto 46\%) of nanoparticles were manipulated by controlling the reaction temperature and time. TGA/DTG thermographs of the carboxycelluloses gave thermostability data and co-related well with the residual crystalline, amorphous, and anhydroglucuronic acid content. The particle shape and size had no effect on the thermal stability. Some derivatives were fully or partially soluble in aqueous alkali and non-aqueous solvents, which can lead to increased versatility of these polymers. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {6-Carboxycellulose, cellulose, DTG, Morphology, Nanoparticles, TGA}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.01.015}, author = {Sharma, Priyanka R. and Varma, Anjanikumar} } @article { ISI:000345734800010, title = {Functionally engineered egg albumen gel for quasi-solid dye sensitized solar cells}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {12}, year = {2014}, month = {DEC}, pages = {2707-2714}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this report, we demonstrated an interesting application of a bioderived material for the dye sensitized solar cells (DSSCs). Egg white, the clear liquid in a hen{\textquoteright}s egg, which possesses a remarkable gelling/cross-linking ability, was applied in the form of a gel electrolyte in a DSSC architecture to enhance its durability. A hybrid gel composed of poly(acrylic acid), polyaniline and egg albumen was synthesized, and the cell efficiency, stability and durability of the corresponding DSSC device were studied in detail. The dye sensitized solar cell with the egg albumen based electrolyte demonstrated a conversion energy efficiency of 4.6\%. Further, a chemically modified egg albumen with ethylenediaminetetraacetic dianhydride showed improved cross-linking, microstructural and conductivity properties of the gel, and yielded a remarkable 5.75\% conversion efficiency. Electrochemical impedance spectroscopy data showed favorable characteristics for charge transport through the modified gel and supported the efficiency observations very well.
}, keywords = {dye sensitized solar cells, Egg albumen, gel electrolyte}, issn = {2168-0485}, doi = {10.1021/sc5004488}, author = {Kelkar, Sarika A. and Pandey, Komal and Agarkar, Shruti A. and Saikhedkar, Nidhi and Tathavadekar, Mukta and Agrawal, Ishita and Gundloori, Rathna V. N. and Ogale, Satishchandra} } @article { ISI:000343624300009, title = {Fungi mediated production and practical purification of (R)-(-)-3-quinuclidinol}, journal = {Tetrahedron Letters}, volume = {55}, number = {43}, year = {2014}, month = {OCT}, pages = {5911-5914}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A fungal system belonging to Mucoraceae family (Mucor piriformis) was explored for the asymmetric reduction of a prochiral ketone, 3-quinuclidinone (I) in an efficient manner to produce an important pharmaceutical precursor (R)-(-)-3-quinuclidinol (II) with similar to 96\% enantiomeric excess. The efficiency of the process was improved by developing a cation exchange resin (Amberlite IR-120) which assisted the purification of water soluble metabolite II from fermentation media. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {(R)-(-)-3-Quinuclidinol, Amberlite IR-120, Biotransformation, Ion exchange resin, Mucor pinformis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.09.015}, author = {Kolet, Swati P. and Jadhav, Dipesh D. and Priyadarshini, Balaraman and Swarge, Bhagyashree N. and Thulasiram, Hirekodathakallu V.} } @article {46361, title = {Fungus-mediated preferential bioleaching of waste material such as fly - ash as a means of producing extracellular, protein capped, fluorescent and water soluble silica nanoparticles}, journal = {PLoS One}, volume = {9}, year = {2014}, month = {SEP }, pages = {e107597}, type = {Article}, abstract = {
In this paper, we for the first time show the ability of the mesophilic fungus Fusarium oxysporum in the bioleaching of waste material such as Fly-ash for the extracellular production of highly crystalline and highly stable, protein capped, fluorescent and water soluble silica nanoparticles at ambient conditions. When the fungus Fusarium oxysporum is exposed to Fly-ash, it is capable of selectively leaching out silica nanoparticles of quasi-spherical morphology within 24 h of reaction. These silica nanoparticles have been completely characterized by UV-vis spectroscopy, Photoluminescence (PL), Transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and Energy dispersive analysis of Xrays (EDAX).
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0107597}, author = {Khan, Shadab Ali and Uddin, Imran and Moeez, Sana and Ahmad, Absar} } @article { ISI:000339493400008, title = {General approach to N-heterocyclic carbenes with a fused tetracyclic core: ligands for suzuki-miyaura cross-coupling reaction}, journal = {European Journal of Organic Chemistry}, number = {21}, year = {2014}, month = {JUL}, pages = {4482-4486}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The synthesis of an N-heterocyclic carbene (NHC) based on a tetracyclic scaffold by using simple, general, and scalable chemistry is disclosed. The developed route is suitable for introducing multiple substitutions on the tetracyclic scaffold. The utility of the present NHC as a ligand in the Suzuki-Miyaura cross-coupling reaction is demonstrated with a low catalyst loading.
}, keywords = {C-C coupling, carbenes, Homogeneous catalysis, N ligands, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.201402378}, author = {Sutar, Revannath L. and Kumar, Vinod and Shingare, Rahul D. and Thorat, Shridhar and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000345192300003, title = {Genesis of enhanced photoactivity of CdS/Ni-x nanocomposites for visible-light-driven splitting of water}, journal = {International Journal of Hydrogen Energy}, volume = {39}, number = {34}, year = {2014}, month = {NOV}, pages = {19424-19433}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A series of CdS/Ni-x nanocomposite photocatalysts, containing ca. 0.6-15 wt\% Ni, were synthesized using a one-step hydrothermal method and characterized for their crystallographic, morphological, interfacial, and optical properties. Rietveld refinement of powder XRD data revealed the coexistence of wurtzite (hexagonal) and zinc blende (cubic) phases of CdS in ratios dependent on Ni content. Only a fraction of Ni existed as a secondary phase of NiS while the majority occupied the lattice positions of hexagonal CdS. Whereas up to 10-fold enhancement in H-2 evolution compared with pure CdS was observed for samples containing similar to 1.5-4.5 wt\% Ni, samples with smaller or larger Ni content displayed poor activity for visible-light-induced splitting of water in presence of sulfide-sulphite ions as sacrificial electron donors. In contrary to recent findings, our study reveals that the enhanced CdS photoactivity is not a result of charge transfer between p-type NiS and n-type CdS, Ni-induced visible-region absorbance, or the coating of CdS particles by non-photoactive NiS. Instead, the preparation-dependent hexagonal/cubic CdS phase boundaries and particle morphology may play a crucial role. Additionally, certain Ni-doping-induced sub-bandgap shallow energy levels contribute to charge carrier separation. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {CdS/Ni-x nanocomposites, Dominant hexagonal facets, Enhanced photoactivity, Hydrogen evolution, Phase boundary effects, water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2014.09.087}, author = {Devi, Suman and Korake, Prakash V. and Achary, Srungarpu N. and Gupta, Narencira M.} } @article { ISI:000342896700002, title = {Genome sequencing analysis reveals virulence-related gene content of Ochrobactrum intermedium strain 229E, a urease-positive strain isolated from the human gastric niche}, journal = {Fems Microbiology Letters}, volume = {359}, number = {1}, year = {2014}, month = {OCT}, pages = {12-15}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
We report draft genome sequence of Ochrobactrum intermedium strain 229E concurrent with Helicobacter pylori in urease positive gastric biopsy of non-ulcer dyspeptic individual from Southern part of India. Since the role of Ochrobactrum in human gastric environment is poorly understood, comprehensive pathological, microbiological, and genome level understanding are necessary to evaluate its association with H. pylori in the gastric niche. Comparative analysis of O. intermedium 299E strain revealed functional similarities with virulence related gene clusters present in H. pylori genomes, which probably might aid in its ability to persist in the human gastric mucosa. However, H. pylori specific vacuolating cytotoxin (vacA) involved in vacuolization, cytotoxicity, and T-cell inhibition was absent in the O. intermedium 229E genome. Taken together, O. intermedium 229E shared numerous features like secretion system, urease, and flagella with H. pylori genome sequence that might aid concurrence in the gastric niche.
}, keywords = {Helicobacter pylori, Ochrobactrum intermedium strain 229E, virulence related gene clusters}, issn = {0378-1097}, doi = {10.1111/1574-6968.12549}, author = {Kulkarni, Girish J. and Shetty, Sudarshan and Dharne, Mahesh S. and Shouche, Yogesh S.} } @article { ISI:000342798000081, title = {Genome-wide identification and tissue-specific expression analysis of UDP-glycosyltransferases genes confirm their abundance in cicer arietinum (chickpea) genome}, journal = {Plos One}, volume = {9}, number = {10}, year = {2014}, month = {OCT}, pages = {e109715}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
UDP-glycosyltransferases (EC 2.4.1.x; UGTs) are enzymes coded by an important gene family of higher plants. They are involved in the modification of secondary metabolites, phytohormones, and xenobiotics by transfer of sugar moieties from an activated nucleotide molecule to a wide range of acceptors. This modification regulates various functions like detoxification of xenobiotics, hormone homeostasis, and biosynthesis of secondary metabolites. Here, we describe the identification of 96 UGT genes in Cicer arietinum (CaUGT) and report their tissue-specific differential expression based on publically available RNA-seq and expressed sequence tag data. This analysis has established medium to high expression of 84 CaUGTs and low expression of 12 CaUGTs. We identified several closely related orthologs of CaUGTs in other genomes and compared their exon-intron arrangement. An attempt was made to assign functional specificity to chickpea UGTs by comparing substrate binding sites with experimentally determined specificity. These findings will assist in precise selection of candidate genes for various applications and understanding functional genomics of chickpea.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0109715}, author = {Sharma, Ranu and Rawat, Vimal and Suresh, C. G.} } @article { ISI:000346662700009, title = {Geometry-dependent lifetime of Interatomic coulombic decay using equation-of-motion coupled cluster method}, journal = {Journal of Chemical Physics}, volume = {141}, number = {23}, year = {2014}, month = {DEC}, pages = {Article No. 234108}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
Electronically excited atom or molecule in an environment can relax via transferring its excess energy to the neighboring atoms or molecules. The process is called Interatomic or Intermolecular coulombic decay (ICD). The ICD is a fast decay process in environment. Generally, the ICD mechanism predominates in weakly bound clusters. In this paper, we have applied the complex absorbing potential approach/equation-of-motion coupled cluster (CAP/EOMCCSD) method which is a combination of CAP and EOMCC approach to study the lifetime of ICD at various geometries of the molecules. We have applied this method to calculate the lifetime of ICD in Ne-X; X = Ne, Mg, Ar, systems. We compare our results with other theoretical and experimental results available in literature. (C) 2014 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4903827}, author = {Ghosh, Aryya and Vaval, Nayana} } @article { ISI:000338353000004, title = {Glycerol etherification using n-butanol to produce oxygenated additives for biodiesel fuel over H-beta zeolite catalysts}, journal = {Energy Technology}, volume = {2}, number = {5}, year = {2014}, month = {MAY}, pages = {446-452}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The catalytic etherification of glycerol has been systematically studied in batch process by using n-butanol to produce oxygenated additives for biodiesel fuels over various solid-acid catalysts, such as H-beta zeolite, ZSM-5, K10, etc.. The present work includes a detailed study of the optimization of the etherification process parameters, such as catalyst loading (7-20 wt\% of glycerol), molar ratio of glycerol/n-butanol (1: 6 to 1: 15), speed of agitation (100-400 rpm), reaction temperature (413-453 K), and reaction time (0.5-4 h) in view of maximizing the glycerol conversion and selectivity towards mono-butyl-glycerol ether (ME). The catalyst reusability was studied using the optimized process parameters. Amongst the studied catalysts, the H-beta zeolite was found to be the most promising for the etherification of glycerol with glycerol conversion of 55\% and a 98\% selectivity towards ME formation. The H-beta zeolite was found to be an active and stable catalyst for up to 4 cycles. The use of n-butanol as alkylating agent is presented for first time, to the authors knowledge. The reaction was performed at milder operating conditions (0.5 MPa) than previously reported (2 MPa). A kinetic model was developed for the etherification reaction and the data obtained at optimized process parameters was used to calculate the kinetic parameters. The reaction rate constants at different reaction temperatures, activation energies, and pre-exponential factors were obtained for the etherification reaction with an accuracy of R-2 \> 0.989.
}, keywords = {biofuels, catalysis, etherification, fuel additives, zeolites}, issn = {2194-4288}, doi = {10.1002/ente.201300169}, author = {Nandiwale, Kakasaheb Y. and Patil, Shivraj E. and Bokade, Vijay V.} } @article { ISI:000330775500021, title = {Gold(I)-catalysed [1,3] O -> C rearrangement of allenyl ethers}, journal = {Chemical Communications}, volume = {50}, number = {17}, year = {2014}, month = {JAN}, pages = {2152-2154}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple and rapid access to the alpha-substituted acryl aldehydes has been provided by developing a gold-catalysed [1,3] rearrangement of the allenyl ethers importantly with a record turnover frequency of 4600 h(-1) (at 0.05 mol\% of the catalyst concentration) in homogeneous gold(I) catalysis.
}, issn = {1359-7345}, doi = {10.1039/c3cc49629e}, author = {Kona, Chandrababu Naidu and Ramana, Chepuri V.} } @article { ISI:000336072400003, title = {Graphene quantum dots conjugated albumin nanoparticles for targeted drug delivery and imaging of pancreatic cancer}, journal = {Journal of Materials Chemistry B}, volume = {2}, number = {21}, year = {2014}, month = {JUN}, pages = {3190-3195}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Pancreatic cancer is considered to be the deadliest of all cancers due to its poor prognosis and resistance to conventional therapies. In this study, the potential of hyaluronic acid functionalized and green fluorescent graphene quantum dot (GQD)-labeled human serum albumin nanoparticles for pancreatic cancer specific drug delivery and bioimaging was explored. GQDs with tunable fluorescence properties and biocompatibility have attracted much more interest in recent years as compared to their metal semiconductor counterparts. We adopted lawsone (2-hydroxy-1,4-naphthoquinone) as a novel reducing agent for the synthesis of quantum dots and, in addition to excellent fluorescence of the synthesized GQDs, a good quantum yield of similar to 14\% was also obtained. Gemcitabine, the most preferred drug for pancreatic cancer treatment, was encapsulated in albumin nanoparticles, and it was observed that our nanoformulation significantly enhanced the bioavailability and sustained release property of the drug to pancreatic cancer cells in vitro. Moreover, the GQD-mediated bioimaging was excellent and enhanced the efficacy of our system as a drug delivery vehicle.
}, issn = {2050-750X}, doi = {10.1039/c4tb00015c}, author = {Nigam, Preeti and Waghmode, Shobha and Louis, Michelle and Wangnoo, Shishanka and Chavan, Pooja and Sarkar, Dhiman} } @article { ISI:000345701500065, title = {Green chemical incorporation of silicon into polyoxoanions of molybdenum: characterization, thermal kinetics study and their photocatalytic water splitting activity}, journal = {RSC Advances}, volume = {4}, number = {108}, year = {2014}, month = {NOV}, pages = {63328-63337}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Cetylpyridinium silicomolybdate (CSM) nanorods were successfully synthesized by applying green chemistry principles using sodium molybdate and a structure directing cationic surfactant, cetyl pyridinium chloride (CPC) at room temperature. The composition and morphology of the nanorods were established by Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TG) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. The thermal decomposition kinetics of CSM nanorods were investigated by a non-isothermal thermogravimetric analyzer at various heating rates. The thermal decomposition of CSM occurred in two stages. The activation energies of the first and second stages of thermal decomposition for all heating rates have been estimated using the iso-conventional methods of Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunose (KAS) and the results are found to be in good agreement with each other. The invariant kinetic parameter (IKP) method and master plot method were also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of CSM. The photocatalytic water oxidation mechanism using the CSM catalyst in the presence of platinum (Pt) co-catalyst enhances the H-2 evolution and was found to be 1.946 mmol g(-1) h(-1).
}, issn = {2046-2069}, doi = {10.1039/c4ra12331j}, author = {D{\textquoteright}Cruz, Bessy and Samuel, Jadu and George, Leena} } @article { ISI:000344998100063, title = {Green chemistry approach to styrene from ethylbenzene and air on MnxTi1-xO2 catalyst}, journal = {RSC Advances}, volume = {4}, number = {100}, year = {2014}, month = {OCT}, pages = {57087-57097}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Styrene (ST) is an industrially important commodity chemical, and design of a suitable catalyst, which provides high ethyl benzene (EB) conversion and styrene selectivity at Lower temperature with sustainable activity, is one of the major challenges in the field of heterogeneous catalysis. Manganese incorporated in titania (MnxT1-xO2) anatase Lattice, prepared via the solution combustion method, was evaluated for oxidative dehydrogenation (ODH) of EB with O-2 or air. MnxTi1-xO2 catalysts were characterized by different physiochemical methods. Up to 15\% Mn could be introduced into the TiO2 Lattice. TEM and XRD indicate disordered mesoporosity, further confirmed by adsorption isotherm analysis. MnxTi1-xO2 catalysts were evaluated for ST synthesis from EB using air or oxygen as oxidant between 440 and 570 degrees C. Reaction conditions have been varied systematically, such as catalyst composition, and EB/air/O-2 flow. MnxTi1-xO2 shows sustainable 55\% styrene yield for 45 h without deactivation under optimum conditions. A thorough analysis of spent catalysts demonstrates the conversion of initial anatase phase MnxTi1-xO2 to Mn3O4 supported on the rutile (R) phase of TiO2. The above change occurs in the first few hours of reaction and the Mn3O4 on R-TiO2 phase is the active phase of the catalyst and responsible for sustainable activity for Longer duration.
}, issn = {2046-2069}, doi = {10.1039/c4ra11814f}, author = {Negi, Sanjay Singh and Venugopalan, Aswathy Thareparambil and Raja, Thirumalaiswamy and Singh, Anand Pal and Gopinath, Chinnakonda S.} } @article { ISI:000342761600087, title = {Green synthesis of noble metal nanoparticles using cysteine-modified silk fibroin: catalysis and antibacterial activity}, journal = {RSC Advances}, volume = {4}, number = {86}, year = {2014}, month = {SEP}, pages = {46285-46292}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Noble metal nanoparticles (NPs) have shown remarkable potential for numerous applications. In this work, a simple, one-pot, green method for the synthesis of gold, silver, palladium, and platinum NPs by using thiol-modified silk fibroin (SF-SH) has been described. The incorporation of thiol groups into silk fibroin (SF) yields small, mono-dispersed metal nanoparticles with good colloidal stability. UV-Vis, transmission electron microscopy (TEM), and X-ray powder diffraction (XRD) analyses show the formation of NPs, and thermo-gravimetric analysis (TGA) data reveal interaction of the NPs with thiol-modified SF. We also show that all the NP-SF conjugates catalyse the reduction of p-nitrophenol to p-aminophenol in the presence of NaBH4 at room temperature. The NP-SF conjugate materials were processed into different material formats like porous scaffolds and films without compromising their individual properties. The Au-SF-SH composite scaffold was used successfully in the heterogeneous catalysis of p-nitrophenol reduction using NaBH4 while the Ag-SF-SH conjugated film showed good antibacterial activity.
}, issn = {2046-2069}, doi = {10.1039/c4ra06179a}, author = {Das, Soumen and Dhar, Basab Bijayi} } @article { ISI:000343922800043, title = {Green synthesis of novel polyoxoanions of tungsten containing phosphorus as a heteroatom: characterization, non-isothermal decomposition kinetics and photocatalytic activity}, journal = {New Journal of Chemistry}, volume = {38}, number = {11}, year = {2014}, month = {SEP}, pages = {5436-5444}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Synthesis of cetylpyridinium phosphotungstate (CPW) nanospheres was carried out by using sodium tungstate and a structure directing cationic surfactant, cetyl pyridinium chloride (CPC), at room temperature by applying green chemistry principles. The composition and morphology of the nanospheres were established by Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), atomic force microscopy (AFM), thermogravimetric analysis (TGA) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. Thermal properties of the nanoparticles were investigated by nonisothermal analysis under a nitrogen atmosphere at four different heating rates 10, 15, 20 and 25 degrees C min(-1). The thermal decomposition of CPW occurred in two stages. The activation energy values at each stage of thermal decomposition for all heating rates were calculated by Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunnose (KAS) methods. The invariant kinetic parameter (IKP) method and the master plot method were also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of CPW. The photocatalytic water oxidation mechanism using a CPW catalyst in the presence of a platinum (Pt) co-catalyst enhances the H-2 evolution, which was found to be 2.0 mmol g(-1) h(-1).
}, issn = {1144-0546}, doi = {10.1039/c4nj01098a}, author = {D{\textquoteright}Cruz, Bessy and Samuel, Jadu and Sreedhar, Mulloor Kesavapillai and George, Leena} } @article { ISI:000338042500011, title = {Green synthesis of polysaccharide stabilized gold nanoparticles: chemo catalytic and room temperature operable vapor sensing application}, journal = {RSC Advances}, volume = {4}, number = {46}, year = {2014}, month = {MAY}, pages = {24014-24019}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A facile, one pot, completely green, and cheap route for the synthesis of gold nanoparticles (AuNPs) has been developed by using locust bean gum (LBG), both as a reducing and a stabilizing agent. Synthesized AuNPs were characterized by UV-vis spectroscopy, TEM, XRD, dynamic light scattering analysis (DLS) and EDAX. A characteristic surface plasmon peak at 537 nm confirmed the formation of AuNPs. Synthesized AuNPs were found to be an efficient catalyst for the reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP). The reaction follows pseudo-first order kinetics with a rate constant of 14.46 X 10(-2) min(-1). Furthermore, the catalytic efficiency of AuNPs for ethanol vapor sensing was investigated by doping AuNPs in a tin oxide (SnO2) matrix synthesized by a single step thermal decomposition method. The AuNPs doped SnO2 sensor showed a fast response (similar to 5 seconds) and excellent ethanol sensing behavior in the range of 10 to 120 ppm at room temperature. A two fold increase in ethanol vapor sensing response was observed with AuNPs doped SnO2 as compared with the pure SnO2 sensor.
}, issn = {2046-2069}, doi = {10.1039/c4ra02972k}, author = {Tagad, Chandrakant K. and Rajdeo, Kishor S. and Kulkarni, Atul and More, Pooja and Aiyer, Rohini C. and Sabharwal, Sushma G.} } @article { ISI:000334168400024, title = {Ground state of naphthyl cation: singlet or triplet?}, journal = {Journal of Chemical Physics}, volume = {140}, number = {11}, year = {2014}, month = {MAR}, pages = {114312}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
We present a benchmark theoretical investigation on the electronic structure and singlet- triplet(ST) gap of 1- and 2-naphthyl cations using the CCSD(T) method. Our calculations reveal that the ground states of both the naphthyl cations are singlet, contrary to the results obtained by DFT/B3LYP calculations reported in previous theoretical studies. However, the triplet states obtained in the two structural isomers of naphthyl cation are completely different. The triplet state in 1-naphthyl cation is (pi,sigma) type, whereas in 2-naphthyl cation it is (pi,sigma) type, The S-T gaps in naphthyl cations and the relative stability ordering of the singlet and the triplet states are highly sensitive to the basis set quality as well as level of correlation, and demand for inclusion of perturbative triples in the coupled-cluster ansatz. (c) 2014 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4868485}, author = {Dutta, Achintya Kumar and Manohar, Prashant Uday and Vaval, Nayana and Pal, Sourav} } @article {42588, title = {H-bonding vs non-h bonding in 100\% pyrene methacrylate comb polymers:self assembly probed by tres and temperature dependent fluorescence}, journal = {Journal of Physical Chemistry B}, volume = {118}, year = {2014}, month = {APR}, pages = {4951{\textendash}4962}, abstract = {
The differences in self-organization behavior in novel 100\% pyrene labeled comb methacrylate polymers probed as a function of their varied origins of excimer formation are presented. The different structural variations in the polymers included the presence or absence of hydrogen bonding interactions in the form of urethane linkages, short or long alkyl spacer segments separating the pyrene units from the polymer backbone and linear versus kinked urethane linkage. The effect of variable concentration and temperature on the chemical shift of the NH proton of the urethane linkage was probed using 1H NMR experiments conducted at temperatures varying from 25 to 70 {\textdegree}C at two different concentrations (2.5 and 25 mmol) in DMSO-d6 as solvent. The photophysical properties of the polymers in dilute DMF solutions were investigated by steady state emission, fluorescence decay studies, time-resolved emission spectra (TRES), and variable temperature emission studies. It was observed that the polymer poly(PBH) having a non-hydrogen-bondable ester linkage in the pendant chains formed an excimer completely via a static mechanism and the ground state aggregate species were not broken even at higher temperatures. The polymer poly(PIC) having a short hydrogen-bondable urethane linkage formed an excimer via a static as well as dynamic mechanism. The other hydrogen-bondable urethane methacrylate polymers having a linear linker poly(PHH) and kinked linker (PIHP) formed excimer mostly via a dynamic mechanism with a very small contribution from the static route. The TRES studies carried out for the polymers provided significant insight into the excimer formation mechanism in these polymers. The variable temperature fluorescence studies highlighted the differences in the H-bonded vs non-H-bonded polymer as a function of their excimer recovery upon cooling.
}, doi = {10.1021/jp501346b}, author = {Kaushlendra, K. and Asha, S. K.} } @article { ISI:000345826600002, title = {Heterogeneous foldamers from aliphatic-aromatic amino acid building blocks: current trends and future prospects}, journal = {European Journal of Organic Chemistry}, volume = {46}, number = {35}, year = {2014}, month = {DEC}, pages = {7763-7780}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Chemists{\textquoteright} constant pursuit of understanding of the underlying principles of nature{\textquoteright}s most intricate phenomenon such as protein folding has led to the development of the field of foldamers. The emergence of diverse classes of unnatural amino acid building blocks has unleashed countless opportunities to design, develop and explore the structural and functional aspects of synthetic peptides. One current trend in foldamer chemistry is the heterofoldamer approach, which involves systematic stoichiometric variation of various natural/unnatural amino acid residues, leading to conformational ordering with intriguing structural architectures. In this regard, the incorporation of aromatic amino acids provides efficient structural rigidification and tunability to the molecular scaffolds, which can exhibit a range of secondary structural features. Recent times have witnessed an upsurge of foldamers featuring aliphatic-aromatic residues with diverse structural propensities. This review is an effort to cover this rapidly developing field of foldamer science and also to envisage its future perspectives.
}, keywords = {Amino acids, Conformation analysis, Foldamers, hydrogen bonding, Peptides, Stacking interactions}, issn = {1434-193X}, doi = {10.1002/ejoc.201402877}, author = {Nair, Roshna V. and Vijayadas, Kuruppanthara N. and Roy, Arup and Sanjayan, Gangadhar J.} } @article { ISI:000339802300026, title = {High charge carrier mobility in two dimensional indium (iii) isophthalic acid based frameworks}, journal = {Proceedings of the National Academy of Sciences India Section A-Physical Sciences}, volume = {84}, number = {2, SI}, year = {2014}, month = {JUN}, pages = {331-336}, publisher = {NATL ACAD SCIENCES INDIA}, address = {5 LAJPATRAI RD, ALLAHABAD 211002, INDIA}, abstract = {
The effect of dimensionality (1D to 2D) on charge carrier mobility have been studied thoroughly on three In(III)-isophthalate based MOFs [In-IA-1D, In-IA-2D-1 and -2]. In-IA-1D possess 1D nanotubular architecture with [(CH3)(2)NH2](+). In-IA-2D-1 have 2D layers containing only [(CH3)(2)NH2](+) cations. Whereas, In-IA-2D-2 have [(CH3)(2)NH2](+) cations as well as solvent DMF molecule inside the crystal structure. Due to presence of the pi-pi stacking arrangement among the phenyl rings of IA moieties facilitates the high charge carrier mobility (4.6 x 10(-3) cm(2) V-1 s(-1) at V-G = -40 V) in In-IA-2D-2. However, In-IA-1D and In-IA-2D-1 does not show any charge carrier mobility due to absence of pi-pi stacking arrangement.
}, keywords = {Charge carrier mobility, Coordination chemistry, metal organic framework, pi-pi stacking}, issn = {0369-8203}, doi = {10.1007/s40010-014-0152-6}, author = {Panda, Tamas and Banerjee, Rahul} } @article { ISI:000341165000020, title = {High magnetostriction parameters for low-temperature sintered cobalt ferrite obtained by two-stage sintering}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {371}, year = {2014}, month = {DEC}, pages = {121-129}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
From the studies on the magnetostriction characteristics of two-stage sintered polycrystalline CoFe2O4 made from nanocrystalline powders, it is found that two-stage sintering at low temperatures is very effective for enhancing the density and for attaining higher magnetostriction coefficient. Magnetostriction coefficient and strain derivative are further enhanced by magnetic field annealing and relatively larger enhancement in the magnetostriction parameters is obtained for the samples sintered at lower temperatures, after magnetic annealing, despite the fact that samples sintered at higher temperatures show larger magnetostriction coefficients before annealing. A high magnetostriction coefficient of similar to 380 ppm is obtained after field annealing for the sample sintered at 1100 degrees C, below a magnetic field of 400 kA/m, which is the highest value so far reported at low magnetic fields for sintered polycrystalline cobalt ferrite. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Cobalt ferrite, Magnetostriction, Two-stage sintering}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2014.07.013}, author = {Mohaideen, Kamal Khaja and Joy, Pattayil Alias} } @article { ISI:000342766500050, title = {High performance all-organic flexural piezo-FET and nanogenerator via nanoscale soft-interface strain modulation}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {41}, year = {2014}, month = {SEP}, pages = {22874-22881}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Flexural strain fields are encountered in a wide variety of situations and invite novel device designs for their effective use in sensing, actuating, as well as energy harvesting (nanogenerator) applications. In this work we demonstrate an interesting all-organic device design comprising an electrospun P(VDF-TrFE) fiber-mat built directly on a conducting PANI film, which is also grown on a flexible PET substrate, for flexural piezo-FET and nanogenerator applications. Orders of magnitude stronger modulation of electrical transport in PANI film is realized in this device as compared to the case of a similar device but with a uniform spin-coated P(VDF-TrFE) film. We find that in the flexural mode of operation, the interaction between the laterally modulated nanoscale strain field distributions created by the fibers and the applied coherent strain field strongly influences the carrier transport in PANI. The transport modulation is suggested to occur due to strain-induced conformational changes in P(VDF-TrFE) leading to changes in carrier localization-delocalization. We further show that the fiber-mat based device system also works as an efficient nanogenerator capable of delivering power for low power applications.
}, issn = {1463-9076}, doi = {10.1039/c4cp02155j}, author = {Dhakras, Dipti and Gawli, Yogesh and Chhatre, Shraddha and Wadgaonkar, Prakash and Ogale, Satishchandra} } @article { ISI:000340469800024, title = {Highly efficient chiral resolution of DL-arginine by cocrystal formation followed by recrystallization under preferential-enrichment conditions}, journal = {Chemistry-A European Journal}, volume = {20}, number = {33}, year = {2014}, month = {AUG}, pages = {10343-10350}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
An excellent chiral symmetry-breaking spontaneous enantiomeric resolution phenomenon, denoted preferential enrichment, was observed on recrystallization of the 1:1 cocrystal of dl-arginine and fumaric acid, which is classified as a racemic compound crystal with a high eutectic ee value (\>95\%), under non-equilibrium crystallization conditions. On the basis of temperature-controlled video microscopy and in situ time-resolved solid-state (CNMR)-C-13 spectroscopic studies on the crystallization process, a new mechanism of phase transition that can induce preferential enrichment is proposed.
}, keywords = {Amino acids, chiral resolution, cocrystals, Crystal growth, phase transitions}, issn = {0947-6539}, doi = {10.1002/chem.201402446}, author = {Iwama, Sekai and Kuyama, Kazunori and Mori, Yuko and Manoj, Kochunnoonny and Gonnade, Rajesh G. and Suzuki, Katsuaki and Hughes, Colan E. and Williams, P. Andrew and Harris, Kenneth D. M. and Veesler, Stephane and Takahashi, Hiroki and Tsue, Hirohito and Tamura, Rui} } @article { ISI:000330241000045, title = {Highly efficient one-pot multi-component synthesis of alpha-aminophosphonates and bis-alpha-aminophosphonates catalyzed by heterogeneous reusable silica supported dodecatungstophosphoric acid (DTP/SiO2) at ambient temperature and their antitubercular eval}, journal = {RSC Advances}, volume = {4}, number = {15}, year = {2014}, month = {JAN}, pages = {7666-7672}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A highly efficient one-pot multi-component reaction (MCR) protocol over DTP/SiO2 has been developed for the synthesis of alpha-aminophosphonate derivatives (4a-x) in excellent yields. The alpha-aminophosphonate derivatives were for the first time evaluated for their antitubercular activity against the M. tuberculosis H37Ra (MTB) strain. An evaluation of the data on the cytotoxicity and antimicrobial activity shows that 4n and 4v are promising antitubercular agents.
}, issn = {2046-2069}, doi = {10.1039/c3ra45853a}, author = {Mulla, Shafeek Abdul Rashid and Pathan, Mohsinkhan Y. and Chavan, Santosh S. and Gample, Suvarna P. and Sarkar, Dhiman} } @article { ISI:000339128700053, title = {Highly regioselective C4-hydrazinylation of 2,4-dichloroquinolines: expedient synthesis of aminoquinoline substituted pyrrolidin-2,5-diones via hydrazinylquinolines}, journal = {Tetrahedron Letters}, volume = {55}, number = {30}, year = {2014}, month = {JUL}, pages = {4240-4244}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A new class of hydrazinylquinoline regio-isomers has been synthesized through SNAr reaction of 2,4-dichloroquinolines with hydrazine hydrate. The reaction stops at the mono-substitution product with high regioselectivity at the C-4 rather than C-2 position of dichloroquinolines. The hydrazinylquinolines were subsequently converted into aminoquinoline substituted pyrrolidin-2,5-diones in the presence of Eaton{\textquoteright}s reagent. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {5-diones, Eaton{\textquoteright}s reagent, Hydrazinylquinolines, Pyrrolidin-2, Regioisomers, SNAr reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.05.132}, author = {Kumar, Gopal Senthil and Zeller, Matthias and Gonnade, Rajesh Ghanshyam and Prasad, Kamam Jayarampillai Rajendra} } @article {PACHFULE, title = {Highly stable covalent organic framework-Au nanoparticles hybrids for enhanced activity for nitrophenol reduction}, journal = {Chemical Communications}, volume = {50}, number = {24}, year = {2014}, month = {JAN}, pages = {3169-3172}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
{Gold [
}, issn = {1359-7345}, doi = {10.1039/c3cc49176e}, author = {Pachfule, Pradip and Kandambeth, Sharath and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000344978200061, title = {Hollow Co0.85Se nanowire array on carbon fiber paper for high rate pseudocapacitor}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {21}, year = {2014}, month = {NOV}, pages = {18844-18852}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A supercapacitor electrode is fabricated with Co0.85Se hollow nanowires (HNW) array, which is synthesized by wet chemical hydrothermal selenization of initially grown cobalt hydroxyl carbonate nanowires on conductive CFP. The dense self-organized morphology of Co0.85Se HNWs is revealed by scanning/transmission electron microscopy. The as-synthesized Co0.85Se HNWs possess high pseudocapacitive property with high capacitance retention and high durability. The areal capacitance value is seen to vary from 929.5 to 600 mF cm(-2) (60\% retention) as the current density is increased from 1 to 15 mA cm(-2), an increase of a factor of 15. Based on mass loading, this corresponds to a very high gravimetric capacitance of 674 (for 2 mA cm(-2) or 1.48 Ag-1) and 444 Fg(1-) (for 15 mA cm(-2) or 11 A g(-1)) in a full-cell configuration with the Co0.85Se HNWs as cathode and activated carbon as anode (asymmetric configuration) promising results are obtained.
}, keywords = {asymmetric supercapacitor, carbon fiber paper, cobalt selenide, hydrothermal, pseudocapacitor, selenization}, issn = {1944-8244}, doi = {10.1021/am504333z}, author = {Banerjee, Abhik and Bhatnagar, Sumit and Upadhyay, Kush Kumar and Yadav, Prasad and Ogale, Satishchandra} } @article { ISI:000341226000019, title = {Homogeneous photochemical water oxidation by biuret-modified Fe-TAML: evidence of Fe-V(O) intermediate}, journal = {Journal of the American Chemical Society}, volume = {136}, number = {35}, year = {2014}, month = {SEP}, pages = {12273-12282}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{Water splitting, leading to hydrogen and oxygen in a process that mimics natural photosynthesis, is extremely important for devising a sustainable solar energy conversion system. Development of earth-abundant, transition metal-based catalysts that mimic the oxygen-evolving complex of photosystem II, which is involved in oxidation of water to O-2 during natural photosynthesis, represents a major challenge. Further, understanding the exact mechanism, including elucidation of the role of active metal-oxo intermediates during water oxidation (WO), is critical to the development of more efficient catalysts. Herein, we report Fe-III complexes of biuret-modified tetra-amidomacrocyclic ligands (Fe-TAML; 1a and 1b) that catalyze fast, homogeneous, photochemical WO to give OD with moderate efficiency (maximum TON = 220
}, issn = {0002-7863}, doi = {10.1021/ja503753k}, author = {Panda, Chakadola and Debgupta, Joyashish and Diaz, David Diaz and Singh, Kundan K. and Gupta, Sayam Sen and Dhar, Basab B.} } @article { ISI:000332835300494, title = {Homogeneous water oxidation using peroxidase mimic [Fe-III(biuret-amide)] and analyte detection via signal amplification}, journal = {Journal of Biological Inorganic Chemistry}, volume = {19}, number = {1}, year = {2014}, note = {16th International Conference on Biological Inorganic Chemistry (ICBIC), Grenoble, FRANCE, JUL 22-26, 2013}, month = {MAR}, pages = {S557}, publisher = {Int Organizing Comm; Natl Organizing Comm; SBIC; Veolia Environm; Arcane; Grenoble Innovat Adv New Technologies; LOREAL; Soc Chimique France; CEA, Life Sci Div; SHIMADZU; High Tech Mat; CEA, Div Matter Sci; IFP Energies Nouvelles; Univ Joseph Fourier; Spr}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0949-8257}, author = {Panda, C. and Dhar, B. B. and Ghosh, Munmun and Malvi, Bharmana and Bhattacharjee, Yudhajit and Sengupta, S.} } @article { ISI:000341455400031, title = {Humidity-sensing studies of cerium oxide nanoparticles synthesizedby non-isothermal precipitation}, journal = {Sensors and Actuators B-Chemical}, volume = {203}, year = {2014}, month = {NOV}, pages = {229-238}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
We report the fabrication of a highly sensitive and fast humidity sensor based on cerium oxide (CeO2) nanoparticles, which were prepared at low cost via a simple non-isothermal precipitation method. The asprepared CeO2 nanoparticles were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy( TEM) and the results indicated the formation of face centered cubic phase of CeO2 with average crystallite size of approximately 10-12 nm. Humidity sensors based on CeO2 nanoparticles exhibit high and linear response within the whole relative humidity (RH) range of 11-97\% at an operating frequency of 60 Hz. The corresponding impedance changes by approximately three orders of magnitude within the entire humidity range from 11\% to 97\% RH. The response and recovery times are about 2-3 and 9-10 s, respectively, when RH was switched between 11\% and 97\%. Furthermore, the sensors also show relatively small hysteresis, excellent reproducibility, long term stability and broad range of operation (11-97\% RH). The complex impedance spectra of the sensor at different RHs and the equivalent circuit were analyzed to explore the humidity-sensing mechanism. This study demonstrates that the CeO2 nanoparticles prepared by non-precipitation method can be used as the humidity-sensing material for the fabrication of humidity sensors. (C) 2014 Elsevier B. V. All rights reserved.
}, keywords = {CeO2 nanoparticles, Complex impedance spectra, humidity sensor, Non-isothermal precipitation, TEM}, issn = {0925-4005}, doi = {10.1016/j.snb.2014.06.107}, author = {Khadse, V. R. and Thakur, Sharada and Patil, K. R. and Patil, Pradip} } @article { ISI:000331675300001, title = {Hybrid diphosphorus ligands in rhodium catalysed asymmetric hydroformylation}, journal = {Coordination Chemistry Reviews}, volume = {262}, year = {2014}, month = {MAR}, pages = {1-15}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
This review aims to illustrate recent advances in the application of hybrid diphosphorus ligands for the Rh catalysed hydroformylation of alkenes, discussing the most prevalent classes of hybrid systems, i.e. phosphine-phosphinite, phosphine-phosphonite, phosphine-phosphite, phosphite-phosphoramidite and phosphite-phosphoramidite and comparing their performance with relevant C-2 symmetric counterparts. In order to introduce the field and put the results in context, a short overview on Rh hydroformylation is provided. Available spectroscopic (in situ) data on the coordination modes of hybrid phosphorus ligands and the catalytic performance of these systems in asymmetric hydroformylation of vinyl arenes are reported. Potential avenues for future research are shortly discussed. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Asymmetric hydroformylation, Catalyst resting state, Hybrid ligand design, In situ spectroscopy, Rhodium}, issn = {0010-8545}, doi = {10.1016/j.ccr.2013.10.024}, author = {Chikkali, Samir H. and van der Vlugt, Jarl Ivar and Reek, Joost N. H.} } @article { ISI:000347360200068, title = {Hydrogen atom chemisorbed gold clusters as highly active catalysts for oxygen activation and co oxidation}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {51}, year = {2014}, month = {DEC}, pages = {30057-30062}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Using oxygen activation and carbon monoxide oxidation as a probe, we have carried out density functional theory (DFT) calculations to investigate the effect of hydrogen atom chemisorption on the reactivity and catalytic activity of gold nanoclusters. In the present work, we particularly focus on the closed shell neutral Au-n (n = 2, 4, 6, 8) gold clusters which are reported to be chemically inert and catalytically less active. The results confirm that the hydrogen atom chemisorption activates the inert clusters, thereby leading to enhanced binding and activation of the O-2 molecule. A significant amount of increase in the O-O and decrease in the Au-O bond lengths together with a pertinent red shift in the O-O stretching frequencies clearly indicates the stronger binding and activation of oxygen molecule in the case of AunH clusters. Further, our results reveal that the hydrogen atom chemisorbed gold clusters are catalytically more active with low activation barriers for the CO oxidation reaction compared to the parent less active closed shell gold clusters. Thus, in short the current theoretical observation provides key inputs for enhancing the reactivity and catalytic activity of inert gold clusters through the adsorption of a small atom or a molecule.
}, issn = {1932-7447}, doi = {10.1021/jp510488v}, author = {Manzoor, Dar and Pal, Sourav} } @article {42484, title = {Hydrogen bonding interaction between active methylene hydrogen atoms and an anion as a binding motif for anion recognition: experimental studies and theoretical rationalization}, journal = {Journal of Physical Chemistry A}, volume = {118}, year = {2014}, month = {MAR}, pages = {2656{\textendash}2666}, abstract = {
Two new reagents, having similar spatial arrangements for hydrogen atoms of the active methylene functionalities, were synthesized and interactions of such reagents with different anionic analytes were studied using electronic spectroscopy as well as by using 1H and 31P NMR spectroscopic methods. Experimental studies revealed that these two reagents showed preference for binding to F{\textendash} and OAc{\textendash}. Detailed theoretical studies along with the above-mentioned spectroscopic studies were carried out to understand the contribution of the positively charged phosphonium ion, along with methylene functionality, in achieving the observed preference of these two receptors for binding to F{\textendash} and OAc{\textendash}. Observed differences in the binding affinities of these two reagents toward fluoride and acetate ions also reflected the role of acidity of such methylene hydrogen atoms in controlling the efficiencies of the hydrogen bonding in anion{\textendash}Hmethylene interactions. Hydrogen bonding interactions at lower concentrations of these two anionic analytes and deprotonation equilibrium at higher concentration were observed with associated electronic spectral changes as well as visually detectable change in solution color, an observation that is generally common for other strong hydrogen bond donor functionalities like urea and thiourea. DFT calculations performed with the M06/6-31+G**//M05-2X/6-31G* level of theory showed that F{\textendash} binds more strongly than OAc{\textendash} with the reagent molecules. The deprotonation of methylene hydrogen atom of receptors with F{\textendash} ion was observed computationally. The metal complex as reagent showed even stronger binding energies with these analytes, which corroborated the experimental results.
}, doi = {10.1021/jp501769y}, author = {Agarwalla, Hridesh and Jana, Kalyanashis and Maity, Arunava and Kesharwani, Manoj K. and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000335273100012, title = {Hydrogen storage in clathrate hydrates: Current state of the art and future directions}, journal = {Applied Energy}, volume = {122}, year = {2014}, month = {JUN}, pages = {112-132}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Hydrogen is looked upon as the next generation clean energy carrier, search for an efficient material and method for storing hydrogen has been pursued relentlessly. Improving hydrogen storage capacity to meet DOE targets has been challenging and research efforts are continuously put forth to achieve the set targets and to make hydrogen storage a commercially realizable process. This review comprehensively summarizes the state of the art experimental work conducted on the storage of hydrogen as hydrogen clathrates both at the molecular level and macroscopic level. It identifies future directions and challenges for this exciting area of research. Hydrogen storage capacities of different clathrate structures - sI, sII, sH, sVI and semi clathrates have been compiled and presented. In addition, promising new approaches for increasing hydrogen storage capacity have been described. Future directions for achieving increased hydrogen storage and process scale up have been outlined. Despite few limitations in storing hydrogen in the form of clathrates, this domain receives prominent attention due to more environmental-friendly method of synthesis, easy recovery of molecular hydrogen with minimum energy requirement, and improved safety of the process. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Clathrates, Gas hydrates, Hydrogen hydrates, Hydrogen storage, Promoters, Storage capacity}, issn = {0306-2619}, doi = {10.1016/j.apenergy.2014.01.063}, author = {Veluswamy, Hari Prakash and Kumar, Rajnish and Linga, Praveen} } @article {CSIR, title = {Hydrogenation of polar bonds catalysed by ruthenium-pincer complexes}, journal = {Ruthenium in Catalysis}, volume = {48}, number = {5}, year = {2014}, note = {3rd International Conference on Advances in Computing, Communications and Informatics (ICACCI), New Delhi, INDIA, SEP 24-27, 2014}, month = {MAR}, pages = {19-43}, publisher = {IEEE Commun Soc; IEEE Syst Man \& Cybernet Soc; Galgotias Coll Engn \& Technol; Hochschule Offenburg Univ Appl Sci; Int Neural Network Soc; India Chapter \& Res Publishing Serv; Madhyam; WizIQ; ICACCI; IEEE}, address = {HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY}, abstract = {
Catalytic hydrogenation of polar bonds using molecular hydrogen is an important, atom-economical synthetic reaction. Classical reduction methods of polar bond often require reactive metal-hydride reagents in stoichiometric amount and produce copious waste. Hydrogenation of carbonyl compounds in particular provides {\textquoteleft}green{\textquoteright} approaches to synthetically important building blocks, such as alcohols and amines. We have designed and synthesized several ruthenium-based pincer catalysts for unprecedented hydrogenation reactions including: (1) amides to alcohols and amines, (2) biomass-derived di-esters to 1,2-diols and (3) CO2 and CO derivatives to methanol. These atom-economical reactions operate under neutral, homogeneous conditions, at mild temperatures, mild hydrogen pressures, and can operate in absence of solvent with no generation of waste. The postulated mechanisms involve metal-ligand cooperation (MLC) by aromatization-dearomatization of the heteroaromatic pincer core.
}, keywords = {Amides, Carbon dioxide, Esters, Hydrogen, Hydrogenation, Metal-ligand cooperation, Pincer complexes, ruthenium}, isbn = {978-3-319-08482-4; 978-3-319-08481-7}, issn = {1436-6002}, doi = {10.1007/3418_2014_77}, author = {Balaraman, Ekambaram and Milstein, David}, editor = {Bruneau, C. and Dixneuf, P. H.} } @inbook {43343, title = {Hydrophobically Modified Chitosan}, booktitle = {Hydrophobically Modified Chitosan}, volume = {19}, year = {2014}, pages = {91-102}, chapter = {Advances in Planar Lipid Bilayers and Liposomes }, abstract = {
Hydrophobically modified chitosan was prepared using the hydrophobic compound derived from natural resource material such as cashew nut shell liquid. Chitosan was modified using 3-pentadecyl cyclohexane carbaldehyde to different extents (2, 3, and 5 mol\%). Solution properties of hydrophobically modified chitosan were studied by rheology and light scattering. These indicated the aggregation behavior above the critical association concentration. Further, it was concluded that above the critical association concentration, the dynamics of the network formed due to the associations slowed down significantly.
}, doi = {10.1016/B978-0-12-418699-6.00004-7}, author = {Shedge, Aarti S. and Badiger, Manohar V.} } @article { ISI:000344635200043, title = {I-2-catalyzed regioselective Oxo- and hydroxy-acyloxylation of alkenes and enol ethers: a facile access to alpha-acyloxyketones, esters, and diol derivatives}, journal = {Organic Letters}, volume = {16}, number = {21}, year = {2014}, month = {NOV}, pages = {5674-5677}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
I-2-catalyzed oxo-acyloxylation of alkenes and enol ethers with carboxylic acids providing for the high yield synthesis of a-acyloxyketones and esters is described. This unprecedented regioselective oxidative process employs TBHP and Et3N in stoichiometric amounts under metal-free conditions in DMSO as solvent. Additionally, I-2-catalysis allows the direct hydroxy-acyloxylation of alkenes with the sequential addition of BH3 center dot SMe2 leading to monoprotected diol derivatives in excellent yields.
}, issn = {1523-7060}, doi = {10.1021/ol5027393}, author = {Reddi, Rambabu N. and Prasad, Pragati K. and Sudalai, Arumugam} } @article { ISI:000344440500015, title = {Identification and expression profiling of helicoverpa armigera microRNAs and their possible role in the regulation of digestive protease genes}, journal = {Insect Biochemistry and Molecular Biology}, volume = {54}, year = {2014}, month = {NOV}, pages = {129-137}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The present investigation is an effort to determine the possible roles of microRNAs (miRNAs) in the regulation of protease gene expression in Helicoverpa armigera upon exposure to plant protease inhibitors (PIs). Using Illumina platform, deep sequencing of 12 small RNA libraries was performed from H. armigera larvae fed on artificial diet (AD) or recombinant Capsicum annuum PI-7 (rCanPI-7) incorporated diet, at various time intervals (0.5, 2, 6, 12, 24, and 48 h). Sequencing data were analyzed with miRDeep2 software; a total of 186 unique miRNAs were identified from all the 12 libraries, out of which 96 were conserved while 90 were novel. These miRNAs showed all the conserved characteristics of insect miRNAs. Homology analysis revealed that most of the identified miRNAs were insect-specific, and more than 50 miRNAs were Lepidoptera-specific. Several candidate miRNAs (conserved and novel) were differentially expressed in rCanPI-7 fed larvae as compared to the larvae fed on AD. H. armigera miRNAs were found to have target sites in several protease genes as well as in protease regulation related genes such as serine PI and immune reactive PI. As expected, negative correlation in the relative abundance miRNAs and their target mRNAs was evident from qualitative real time polymerase chain reaction analysis. The investigation revealed potential roles of miRNAs in H. armigera protease gene regulation. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Deep sequencing, Helicoverpa armigera, miRNAs, Protease gene regulation, Protease inhibitors}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2014.09.008}, author = {Lomate, Purushottam R. and Mahajan, Neha S. and Kale, Sandip M. and Gupta, Vidya S. and Giri, Ashok P.} } @article {45978, title = {Identification of the Zn substitution sites in La-Zn substituted SrAl12O19 from Al-27 solid-state NMR studies}, journal = {Journal of the American Ceramic Society}, volume = {97}, year = {2014}, month = {SEP}, pages = {2990-2995}, type = {Article}, abstract = {
The La-Zn substituted hexagonal strontium aluminate, Sr1-xLaxAl12-xZnxO19, with the magnetoplumbite structure and having five different coordination environments for Al with different symmetries, is investigated using Al-27 solid-state NMR to get detailed information on the sites of substitution of Zn and the associated changes in the local coordination environments of Al. The objective of the study was to get information on the local structural variations in the isostructural La-Co substituted strontium ferrite, Sr1-xLaxFe12-xCoxO19, showing enhanced magnetic performance on substitution. The NMR studies on the aluminate give direct evidence for the sites of substitution and the changes in the local coordination environments. It is found that Zn is substituted at the 2a and 4f(2) AlO6 octahedral sites. However, an interesting observation from the NMR studies is the stabilization of the Al site occupancy at the penta-coordinated 2b site over the distorted tetrahedral 4eAl site, without any substitution at these sites. Large changes in the quadrupolar coupling constant of the 2a and 4e sites are observed between x=0.2 and 0.3, corresponding to the compositional region showing higher performance in the case of Sr1-xLaxFe12-xCoxO19, indicating the role of distortion of local coordination environments on suitable substitution in controlling the performance parameters.
}, issn = {0002-7820}, doi = {10.1111/jace.13029}, author = {Baby, Bindhu and Dey, Krishna K. and Ajithkumar, Thalasseril G. and Joy, Pattayil A.} } @article { ISI:000330999600057, title = {IFN-gamma signaling maintains skin pigmentation homeostasis through regulation of melanosome maturation}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {111}, number = {6}, year = {2014}, month = {FEB}, pages = {2301-2306}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {
Cellular homeostasis is an outcome of complex interacting processes with nonlinear feedbacks that can span distinct spatial and temporal dimensions. Skin tanning is one such dynamic response that maintains genome integrity of epidermal cells. Although pathways underlying hyperpigmentation cascade are recognized, negative feedback regulatory loops that can dampen the activated melanogenesis process are not completely understood. In this study, we delineate a regulatory role of IFN-gamma in skin pigmentation biology. We show that IFN-gamma signaling impedes maturation of the key organelle melanosome by concerted regulation of several pigmentation genes. Withdrawal of IFN-gamma signal spontaneously restores normal cellular programming. This effect in melanocytes is mediated by IFN regulatory factor-1 and is not dependent on the central regulator microphthalmia-associated transcription factor. Chronic IFN-gamma signaling shows a clear hypopigmentation phenotype in both mouse and human skin. Interestingly, IFN-gamma KO mice display a delayed recovery response to restore basal state of epidermal pigmentation after UV-induced tanning. Together, our studies delineate a new spatiotemporal role of the IFN-gamma signaling network in skin pigmentation homeostasis, which could have implications in various cutaneous depigmentary and malignant disorders.
}, keywords = {detanning, gene regulation, interferon, melanin}, issn = {0027-8424}, doi = {10.1073/pnas.1304988111}, author = {Natarajan, Vivek T. and Ganju, Parul and Singh, Archana and Vijayan, Vinaya and Kirty, Kritika and Yadav, Shalini and Puntambekar, Shraddha and Bajaj, Sonali and Dani, Prachi P. and Kar, Hemanta K. and Gadgil, Chetan J. and Natarajan, Krishnamurthy and Rani, Rajni and Gokhale, Rajesh S.} } @article { ISI:000330603800033, title = {Immobilization of bile salt hydrolase enzyme on mesoporous SBA-15 for co-precipitation of cholesterol}, journal = {International Journal of Biological Macromolecules}, volume = {63}, year = {2014}, month = {FEB}, pages = {218-224}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
We describe herein a simple and effective strategy for immobilization of bile salt hydrolase enzyme by grafting glutaraldehyde groups inside channels of APTES functionalized SBA-15. The increase in glutaraldehyde concentration prevents leakage of enzyme but showed a steep decrease in enzyme activity in the immobilized matrix. So the degree of cross-linking should be the minimum possible to ensure sufficient stability without loss of activity. Cross-linking carried out with 0.1\% glutaraldehyde concentration showed the highest activity, so this was used in all further experiments. Physico-chemical characterizations of the immobilized enzyme were carried out by XRD, N-2 adsorption, TEM, FUR and Si-29 CP-MAS NMR techniques. Immobilized BSH exhibits enhanced stability over a wide pH (3-11) and temperature range (40-80 degrees C) and retains an activity even after recycling experiments and six months of storage. From our in vivo research experiment toward co-precipitation of cholesterol, we have shown that immobilized BSH enzyme may be the promising catalyst for the reduction of serum cholesterol levels in our preliminary investigation. Enhancement in pH stability at the extreme side of pH may favor the use of immobilized BSH enzyme for drug delivery purpose to with stand extreme pH conditions in the gastrointestinal conditions. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Bile salt hydrolase, Co-precipitation of cholesterol, SBA-15}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.11.008}, author = {Bhange, Pallavi and Sridevi, N. and Bhange, Deu S. and Prabhune, Asmita and Ramaswamy, Veda} } @article { ISI:000331953400004, title = {Immune response to chemically modified proteome}, journal = {Proteomics Clinical Applications}, volume = {8}, number = {1-2, SI}, year = {2014}, month = {FEB}, pages = {19-34}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Both enzymatic and nonenzymatic PTMs of proteins involve chemical modifications. Some of these modifications are prerequisite for the normal functioning of cell, while other chemical modifications render the proteins as neo-self antigens, which are recognized as non-self leading to aberrant cellular and humoral immune responses. However, these modifications could be a secondary effect of autoimmune diseases, as in the case of type I diabetes, hyperglycemia leads to protein glycation. The enigma of chemical modifications and immune response is akin to the chick-and-egg paradox. Nevertheless, chemical modifications regulate immune response. In some of the well-known autoimmune diseases such as rheumatoid arthritis, systemic lupus erythematosus, and multiple sclerosis, chemically modified proteins act as autoantigens forming immune complexes. In some instances, chemical modifications are also involved in regulating immune response during pathogen infection. Further, the usefulness of proteomic analysis of immune complexes is briefly discussed.
}, keywords = {Autoantibody, Autoimmune diseases, Immune complex, Immunoproteomics, PTMs}, issn = {1862-8346}, doi = {10.1002/prca.201300068}, author = {Bhat, Shweta and Mary, Sheon and Banarjee, Reema and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article { ISI:000347579200048, title = {Impact of experimental pressure and temperature on semiclathrate hydrate formation for pre-combustion capture of CO2 using tetra-n-butyl ammonium nitrate}, journal = {Energy}, volume = {78}, number = {SI}, year = {2014}, month = {DEC}, pages = {458-464}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
TBANO(3) (tetra-n-butyl ammonium nitrate) is a promising liquid phase promoter for capturing CO2 via HBGS (hydrate based gas separation) technology. In this study, the impact of experimental pressure and temperature on formation of mixed CO2-H-2-TBANO(3) semiclathrate hydrate for the optimum 1.0 mol\% TBANO(3) reported by Babu et al. [1] was investigated. Experimental pressures of 3.0, 4.5 and 6.0 MPa and temperatures of 274.2, 276.2 and 278.2 K were employed. Irrespective of the experimental pressure, shorter induction time was observed for experiments conducted at 274.2 K when compared to the experiments at other temperatures. At a given pressure, the total gas uptake increased with increase in experimental temperature. Similarly at a given temperature, the total gas uptake increases with an increase in pressure. Higher rate of hydrate formation was observed at experimental pressure of 6.0 MPa than at 3.0 and 4.5 MPa irrespective of the experimental temperature. The CO2 composition in hydrate was between 87.5 and 93.2 mol\%. Finally, the gas consumption for 1.0 mol\% TBANO(3) as promoter was much higher than other promoters of quaternary salts like tetra-n-butyl ammonium bromide and tetra-n-butyl ammonium fluoride at comparable concentration and driving force. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon dioxide capture, Clathrate process, Gas hydrates, Semi-clathrates}, issn = {0360-5442}, doi = {10.1016/j.energy.2014.10.033}, author = {Babu, Ponnivalavan and Datta, Stuti and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000337337000035, title = {Impact of fly ash impurity on the hydrate-based gas separation process for carbon dioxide capture from a flue gas mixture}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {23}, year = {2014}, month = {JUN}, pages = {9849-9859}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The hydrate-based gas separation (HBGS) process for gas mixtures of CO2 + N-2 (flue gas) and CO2 + H-2 (fuel gas) has proven to be very efficient and highly selective for CO2 capture. In addition to CO2 and N-2, flue gas from coal-based thermal power stations can contain impurities such as nitrogen oxides (NOx), sulfur oxides (SOx), and fly ash. In this work, the impact of fly ash on the HBGS process efficiency was investigated. Tetrahydrofuran (THF, 1 mol \%) was used as a thermodynamic promoter, and sodium dodecyl sulfate (SDS) and sodium dodecyl benzenesulfonate (SDBS) (anionic surfactants) were used as kinetic promoters. Whereas the use of THF in the HBGS process reduces the operating pressure significantly, both SDS and SDBS were found to enhance the rate of hydrate formation. It was observed that the hydrate equilibrium conditions did not change in the presence of fly ash. However, the presence of fly ash enhanced the separation efficiency of the HBGS process by reducing the induction time and increasing the kinetics of hydrate formation. Therefore, the presence of fly ash in a flue gas mixture is not detrimental to the HBGS process, which is a positive factor for the capture and geological sequestration of CO2 in the form of gas hydrates.
}, issn = {0888-5885}, doi = {10.1021/ie5001955}, author = {Kumar, Asheesh and Sakpal, Tushar and Linga, Praveen and Kumar, Rajnish} } @conference { ISI:000375936100396, title = {Impact of pressure and temperature on tetra-n-butyl ammonium bromide semi-clathrate process for carbon dioxide capture}, booktitle = {International Conference on Applied Energy, ICAE2014}, series = {Energy Procedia}, volume = {61}, year = {2014}, note = {6th International Conference on Applied Energy (ICAE), Taipei, TAIWAN, MAY 30-JUN 02, 2014}, month = {MAY}, pages = {1780-1783}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {
The pre-combustion capture of CO2 in an IGCC power plant employing the hydrate based gas separation (HBGS) process is a novel method currently receiving attention around the world. Tetra-n-butyl ammonium bromide (TBAB) is a promoter that has been shown to improve the efficiency of hydrate formation. In this study, the effect of temperature and pressure on 0.3 mol\% TBAB solution is investigated. The induction time for the experiments conducted at 6.0 MPa and 274.8 K was found to be lower, while nucleation became increasingly random as temperature is increased and pressure is reduced. Total gas uptake and normalized rate of hydrate formation (NR5) is also the highest for the experiments conducted at 6.0 MPa and 274.8 K. However, it was found that the hydrate phase CO2 composition remains relatively constant at both reduced temperatures and pressures. (C) 2014 The Authors. Published by Elsevier Ltd.
}, keywords = {Carbon dioxide capture, Clathrate process, Gas hydrates, Gas separation, Promoters, tetra-n-butyl ammonium bromide}, issn = {1876-6102}, doi = {10.1016/j.egypro.2014.12.211}, author = {Babu, Ponnivalavan and Chin, Weng Inn and Kumar, Rajnish and Linga, Praveen}, editor = {Yan, J. and Lee, D. J. and Chou, S. K. and Desideri, U. and Li, H.} } @article { ISI:000339470100014, title = {Improved method for specificity annotation shows a distinct evolutionary divergence among the microbial enzymes of the cholylglycine hydrolase family}, journal = {Microbiology-SGM}, volume = {160}, number = {6}, year = {2014}, month = {JUN}, pages = {1162-1174}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {
Bile salt hydrolases (BSHs) are gut microbial enzymes that play a significant role in the bile acid modification pathway. Penicillin V acylases (PVAs) are enzymes produced by environmental microbes, having a possible role in pathogenesis or scavenging of phenolic compounds in their microbial habitats. The correct annotation of such physiologically and industrially important enzymes is thus vital. The current methods relying solely on sequence homology do not always provide accurate annotations for these two members of the cholylglycine hydrolase (CGH) family as BSH/PVA enzymes. Here, we present an improved method [binding site similarity (BSS)-based scoring system] for the correct annotation of the CGH family members as BSH/PVA enzymes, which along with the phylogenetic information incorporates the substrate specificity as well as the binding site information. The BSS scoring system was developed through the analysis of the binding sites and binding modes of the available BSH/PVA structures with substrates glycocholic acid and penicillin V. The 198 sequences in the dataset were then annotated accurately using BSS scores as BSH/PVA enzymes. The dataset presented contained sequences from Gram-positive bacteria, Gram-negative bacteria and archaea. The clustering obtained for the dataset using the method described above showed a clear distinction in annotation of Gram-positive bacteria and Gram-negative bacteria Based on this clustering and a detailed analysis of the sequences of the CGH family in the dataset, we could infer that the CGH genes might have evolved in accordance with the hypothesis stating the evolution of diderms and archaea from the monoderms.
}, issn = {1350-0872}, doi = {10.1099/mic.0.077586-0}, author = {Panigrahi, Priyabrata and Sule, Manas and Sharma, Ranu and Ramasamy, Sureshkumar and Suresh, C. G.} } @article {46362, title = {Improving the energy density of Li-ion capacitors using polymer-derived porous carbons as cathode}, journal = {Electrochimica Acta}, volume = {130}, year = {2014}, month = {JUN }, pages = {766-770}, type = {Article}, abstract = {
High energy density Li-ion hybrid electrochemical capacitors (Li-HEC) are fabricated with 3 D architectured high surface area porous carbon (HSPC) derived from the poly(acrylamide-co-acrylic acid) potassium salt in a single step without any activating agent. The obtained HSPC exhibits high specific surface area of 1490 m(2) g(-1) and characterized with several analytical techniques. Li-HEC is fabricated with insertion type Li4Ti5O12 anode by adjusting the mass balance based on the single electrode performance with Li. The Li-HEC delivered the maximum energy density of similar to 55 Wh kg(-1), which is much higher than commercially available activated carbon (similar to 36 Wh kg(-1)). Further HSPC based Li-HEC delivered excellent cycleability and rendered similar to 87\% of initial value after 2000 cycles. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {energy density, Li-ion hybrid electrochemical capacitors, non-aqueous, porous carbon}, issn = {0013-4686}, doi = {10.1016/j.electacta.2014.03.079}, author = {Puthusseri, Dhanya and Aravindan, Vanchiappan and Madhavi, Srinivasan and Ogale, Satishchandra} } @article {43228, title = {In situ characterisation of nanoscale electromechanical properties of quasi-two-dimensional MoS2 and MoO3, arXiv preprint arXiv}, journal = {Condensed Matter Materials Science}, volume = {1}, year = {2014}, month = {SEP}, abstract = {
Precise manipulation of electronic band structures of two-dimensional (2D) transition metal dichalcogenides and oxides (TMD\&Os) via localised strain engineering is an exciting avenue for exploiting their unique characteristics for electronics, optoelectronics, and nanoelectromechanical systems (NEMS) applications. This work experimentally demonstrates that mechanically-induced electrical transitions can be engineered in quasi-2D molybdenum disulphide (MoS2) and molybdenum trioxide (MoO3) using an in situ electrical nanoindentation technique. It is shown that localised strains on such quasi-2D layers can induce carrier transport alterations, thereby changing their electrical conduction behaviour. Such strain effects offer a potential tool for precisely manipulating the electronic transport properties of 2D TMD\&Os, and understanding the interactions of the atomic electronic states in such layered materials.
}, author = {Walia, Sumeet and Nili, Hussein and Balendhran, Sivacarendran and Late, Dattatray J. and Sriram, Sharath and Bhaskaran, Madhu} } @article { ISI:000333057300005, title = {In situ pH management for microbial culture in shake flasks and its application to increase plasmid yield}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {41}, number = {4}, year = {2014}, month = {APR}, pages = {647-655}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
Shake flasks are widely used to culture microorganisms, but they do not allow for pH control without additional infrastructure. In the presence of a carbon source like glucose, culture pH typically decreases due to overflow metabolism and can limit the growth of microorganisms in shake flasks. In this study, we demonstrate the use of magnesium hydroxide-loaded pH managing hydrogels (m-pHmH) for in situ base release to counter the decrease in culture pH in shake flasks using Escherichia coli as a model organism, in both complex and mineral salts medium. Base release from m-pHmH is shown to increase with decreasing pH (22-fold increase in release rate from pH 8 to 5), thus providing feedback from culture pH. The addition of m-pHmH resulted in better pH maintenance and higher biomass yields of E. coli K12 in media containing glucose as a carbon source. The use of m-pHmH with additional buffer resulted in pH being maintained above 6.9 while pH decreases below 5 without m-pHmH. We demonstrate one application of such in situ pH management to increase the volumetric plasmid yield from E. coli in shake flask culture. In situ glucose release through a hydrogel to mimic fed-batch culture along with the addition of m-pHmH resulted in a 395 \% increase in volumetric plasmid yield to 38 mu g/ml in shake flask culture.
}, keywords = {In situ pH control, Magnesium hydroxide, pH-responsive base release, Shake flask culture}, issn = {1367-5435}, doi = {10.1007/s10295-014-1405-8}, author = {Sanil, Reenu and Maralingannavar, Vishwanathgouda and Gadgil, Mugdha} } @article { ISI:000330489500020, title = {In situ synthesized BSA capped gold nanoparticles: effective carrier of anticancer drug methotrexate to MCF-7 breast cancer cells}, journal = {Materials Science \& Engineering C-Materials For Biological Applications}, volume = {34}, year = {2014}, month = {JAN}, pages = {158-167}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The proficiency of MTX loaded BSA capped gold nanoparticles (Au-BSA-MTX) in inhibiting the proliferation of breast cancer cells MCF-7 as compared to the free drug Methotrexate (MTX) is demonstrated based on MTT and Ki-67 proliferation assays. In addition, DNA ladder gel electrophoresis studies, flow cytometry and TUNEL assay confirmed the induction of apoptosis by MTX and Au-BSA-MTX in MCF-7 cells. Notably, Au-BSA-MTX: was found to have higher cytotoxicity on MCF-7 cells compared with an equivalent dose of free MTX. The enhanced activity is attributed to the preferential uptake of Au-BSA-MTX particles by MCF-7 cells due to the presence of BSA that acts as a source of nutrient and energy to the rapidly proliferating MCF-7 cells. Moreover, the targeting ability of the drug MTX to the over expressed folate receptors on MCF-7 cells also contributes to the enhanced uptake and activity. Taken together, these results unveil that Au-BSA-MTX could be more effective than free drug for cancer treatment. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Apoptosis, Bovine serum albumin, Cancer therapy, Cytotoxicity, Dual active agents, gold nanoparticles}, issn = {0928-4931}, doi = {10.1016/j.msec.2013.09.004}, author = {Murawala, Priyanka and Tirmale, Amruta and Shiras, Anjali and Bhagavatula L. V. Prasad} } @article { ISI:000337645600001, title = {In the sense of transcription regulation by G-quadruplexes: asymmetric effects in sense and antisense strands}, journal = {Biochemistry}, volume = {53}, number = {23}, year = {2014}, month = {JUN}, pages = {3711-3718}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
G-Quadruplexes occupy important regulatory regions in the genome. DNA G-quadruplexes in the promoter regions and RNA quadruplexes in the UTRs (untranslated regions) have been individually studied and variously implicated at different regulatory levels of gene expression. However, the formation of G-quadruplexes in the sense and antisense strands and their corresponding roles in gene regulation have not been studied in much detail. In the present study, we have elucidated the effect of strand asymmetry in this context. Using biophysical methods, we have demonstrated the formation of stable G-quadruplex structure in vitro using CD and UV melting. Additionally, ITC was employed to demonstrate that a previously reported selective G-quadruplex ligand was able to bind and stabilize the G-quadruplex in the present sequence. Further, we have shown using reporter constructs that although the DNA G-quadruplex in either strand can reduce translation efficiency, transcriptional regulation differs when G-quadruplex is present in the sense or antisense strand. We demonstrate that the G-quadruplex motif in the antisense strand substantially inhibits transcription, while when in the sense strand, it does not affect transcription, although it does ultimately reduce translation. Further, it is also shown that the G-quadruplex stabilizing ligand can enhance this asymmetric transcription regulation as a result of the increased stabilization of the G-quadruplex.
}, issn = {0006-2960}, doi = {10.1021/bi401451q}, author = {Agarwal, Tani and Roy, Saumya and Kumar, Santosh and Chakraborty, Tushar Kanti and Maiti, Souvik} } @article { ISI:000340353100013, title = {In1-XGaXN@ZnO: a rationally designed and quantum dot integrated material for water splitting and solar harvesting applications}, journal = {Dalton Transactions}, volume = {43}, number = {33}, year = {2014}, month = {SEP}, pages = {12546-12554}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The highly desirable combination of the visible light absorption properties of In1-xGaxN Quantum dots (QD) along with the multifunctionality of ZnO into a single integrated material was prepared for solar harvesting. This is the first report on InGaN QD integrated with ZnO (InGaN@ZnO), synthesized by a highly reproducible, simple combustion method in 15 min. Structural, microstructural and electronic integration of the nitride and oxide components of InGaN@ZnO was demonstrated by appropriate characterization methods. Self-assembly of InGaN QD is induced in growing nascent zinc oxo nanoclusters taking advantage of the common wurtzite structure and nitrogen incorporation at the expense of oxygen vacancies. Direct integration brings about a single phase structure exhibiting extensive visible tight absorption and high photostability. InGaN@ZnO suggests synergistic operation of tight harvesting and charge conducting components for solar H-2 generation without using any co-catalyst or sacrificial agent, and a promising photocurrent generation at 0 V under visible light illumination. The present study suggests a direct integration of QD with the host matrix and is a potential method to realize the advantages of QDs.
}, issn = {1477-9226}, doi = {10.1039/c4dt01268b}, author = {Rajaambal, Sivaraman and Mapa, Maitri and Gopinath, Chinnakonda S.} } @article { ISI:000345226100028, title = {Indanthrone derived disordered graphitic carbon as promising insertion anode for sodium ion battery with long cycle life}, journal = {Electrochimica Acta}, volume = {146}, year = {2014}, month = {NOV}, pages = {218-223}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We report facile, one step synthesis of disordered graphitic carbon by high temperature (1000 degrees C) pyrolysis of indanthrone dye (ID). The pyrolysed carbon is disordered in nature and the same is clearly evidenced by various analytical techniques like X-ray diffraction, Raman spectroscopy and high resolution transmission electron microscopy. Na-insertion properties of such indanthrone dye derived disordered graphitic carbon (IDDGC) is evaluated in half-cell assembly (Na/IDDGC). The test cell delivered a reversible capacity of similar to 160 mAh g(-1) at current density of 25 mAg 1. In addition, excellent cycling profiles are noted for such IDDGC, which retains 67\% of initial reversible capacity after 500 cycles. The present study clearly highlights the importance of disorder in the graphitic carbon for efficient Na-ion storage. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {anode, disordered carbon, indanthrone, Na-ion battery}, issn = {0013-4686}, doi = {10.1016/j.electacta.2014.09.052}, author = {Suryawanshi, Anil and Mhamane, Dattakumar and Nagane, Satyawan and Patil, Shankar and Aravindan, Vanchiappan and Ogale, Satishchandra and Srinivasan, Madhavi} } @article {43346, title = {Influence of different species of Penicillium and their culture filtrates on seed germination and seedling growth of sorghum}, journal = {Journal of Biochemical Technology}, volume = {5}, year = {2014}, month = {DEC}, pages = {832 - 837}, abstract = {The present investigations influence of Penicillium species and their culture filtrates on the seed germination and seedling growth of sorghum was studied. Culture filtrate of P. nordicum, P. verrucosum, P. chrysogenum, P. commune, P. citrinum, P.camemberti and P. digitatum were comparatively more toxic and significantly inhibited the seed germination and seedling growth varied with the species. However, pathogenicity of different inoculum of Penicillium species also exhibited varying seedling growth inhibition with P. citrinum, P. chrysogenum, P. commune, P. italicum, P. verrucosum and P. expansum assayed by water agar method. A significant phytotoxicity of these species inhibited coleoptile 32-70\%, radicle 10-87\% and leaf growth 20-86\% with correlation coefficient 0.65, 0.67 and 0.79\%, and were observed respectively. In-vitro mycotoxin production was assayed by culture filtrates of major mycotoxigenic strains revealed production of ochratoxin A (OTA), cyclopiazonic acid (CPA), rubratoxin B (RTB), griseofulvin (GRI), citrinin (CIT), patulin (PAT), penitrem A (PENA) and mycophenolic acid (MPA) screened by TLC/HPLC. Toxicity of species of Penicillium on seed germination, coleoptile, radicle, and leaf elongation inhibition may be attributed to the toxin-chemotypes produced by the species of Penicillium. However, even non-toxigenic strains of Penicillium also caused mild inhibition which may be attributed to the presence of other toxin-chemotypes.}, author = {Vankudoth, Koteswara Rao} } @article { ISI:000343715000091, title = {Influence of method of preparation on the activity of La-Ni-Ce mixed oxide catalysts for dry reforming of methane}, journal = {RSC Advances}, volume = {4}, number = {91}, year = {2014}, month = {OCT}, pages = {50226-50232}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
La-Ni-x-Ce1-x mixed oxide catalysts were prepared by a sol-gel method varying the Ni composition (0 \<= x \<= 1). The catalysts were characterized by X-ray diffraction (XRD), inductively coupled plasma optical emission spectroscopy (ICP-OES), BET surface area, X-ray photoelectron spectroscopy (XPS), temperature-programmed reduction (TPR), H-2 chemisorption and Fourier transform infrared spectroscopy (FT-IR) techniques. CO2 reforming of methane was carried out at atmospheric pressure and 800 degrees C, maintaining a reactant CO2/CH4/N-2 ratio of 80/80/80 (total flow rate = 240 ml min(-1), GHSV of 28 800 h(-1)). The catalysts offered higher activity even at lower Ni compositions. LaNi0.4Ce0.6O3. showed the highest conversion of CH4 and CO2. The H-2/CO ratio in the syngas was stable at 0.85 +/- 0.02. The performance of the sol-gel catalysts was compared with that of the hydrothermally prepared catalysts, reported earlier. High surface area and better Ni dispersion were found to be the reasons for superior activity of the sol-gel catalysts.
}, issn = {2046-2069}, doi = {10.1039/c4ra07098d}, author = {Sagar, T. V. and Sreelatha, N. and Hanmant, G. and Surendar, M. and Lingaiah, N. and Rao, K. S. Rama and Satyanarayana, C. V. V. and Reddy, I. A. K. and Prasad, P. S. Sai} } @article { ISI:000338605600002, title = {Influence of starting precursors and synthesis methods on the physiochemical properties of zirconia}, journal = {Materials Research Bulletin}, volume = {55}, year = {2014}, month = {JUL}, pages = {8-12}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Under identical and judiciously pre-optimized synthesis conditions, the influence of different combinations of zirconium sources and/or post treatment conditions on structural properties, thermal stability, phase composition and morphology of zirconia has been investigated. High surface area tetragonal zirconia could be synthesized in a cost-effective manner from 1 M solution of zirconium oxynitrate at pH 11 using aqueous ammonia solution as a precipitant when calcined at 400 degrees C for 3 h. Irrespective of the preparation method, pH and starting precursor, zirconia samples prepared without digestion contained dominant monoclinic phase with some traces of tetragonal phase when calcined at 700 degrees C. Even though there is linear decrease in surface area with increase in the crystallite size for each sample as a function of calcination temperature, no co-relation between the surface area and crystallite size could be achieved. SEM images show agglomerated and irregular shape particles between 10 to 20 mu m. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Oxides, Sol-gel chemistry, Thermogravimetric analysis (TGA)}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2014.03.010}, author = {Gaydhankar, T. R. and Jha, Ratnesh Kumar and Nikalje, M. D. and Waghmare, K. J.} } @article { ISI:000339995100067, title = {Insecticidal potential of defense metabolites from ocimum kilimandscharicum against helicoverpa armigera}, journal = {Plos One}, volume = {9}, number = {8}, year = {2014}, month = {AUG}, pages = {e104377}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Genus Ocimum contains a reservoir of diverse secondary metabolites, which are known for their defense and medicinal value. However, the defense-related metabolites from this genus have not been studied in depth. To gain deeper insight into inducible defense metabolites, we examined the overall biochemical and metabolic changes in Ocimum kilimandscharicum that occurred in response to the feeding of Helicoverpa armigera larvae. Metabolic analysis revealed that the primary and secondary metabolism of local and systemic tissues in O. kilimandscharicum was severely affected following larval infestation. Moreover, levels of specific secondary metabolites like camphor, limonene and beta-caryophyllene (known to be involved in defense) significantly increased in leaves upon insect attack. Choice assays conducted by exposing H. armigera larvae on O. kilimandscharicum and tomato leaves, demonstrated that O. kilimandscharicum significantly deters larval feeding. Further, when larvae were fed on O. kilimandscharicum leaves, average body weight decreased and mortality the larvae increased. Larvae fed on artificial diet supplemented with O. kilimandscharicum leaf extract, camphor, limonene and beta-caryophyllene showed growth retardation, increased mortality rates and pupal deformities. Digestive enzymes of H. armigera - namely, amylase, protease and lipase- showed variable patterns after feeding on O. kilimandscharicum, which implies striving of the larvae to attain required nutrition for growth, development and metamorphosis. Evidently, selected metabolites from O. kilimandscharicum possess significant insecticidal activity.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0104377}, author = {Singh, Priyanka and Jayaramaiah, Ramesha H. and Sarate, Priya and Thulasiram, Hirekodathakallu V. and Kulkarni, Mahesh J. and Giri, Ashok P.} } @article { ISI:000333675600057, title = {In-Silico analysis of binding site features and substrate selectivity in plant flavonoid-3-o glycosyltransferases (F3GT) through molecular modeling, docking and dynamics simulation studies}, journal = {Plos One}, volume = {9}, number = {3}, year = {2014}, month = {MAR}, pages = {e92636}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Flavonoids are a class of plant secondary metabolites that act as storage molecules, chemical messengers, as well as participate in homeostasis and defense processes. They possess pharmaceutical properties important for cancer treatment such as antioxidant and anti-tumor activities. The drug-related properties of flavonoids can be improved by glycosylation. The enzymes glycosyltransferases (GTs) glycosylate acceptor molecules in a regiospecific manner with the help of nucleotide sugar donor molecules. Several plant GTs have been characterized and their amino acid sequences determined. However, three-dimensional structures of only a few are reported. Here, phylogenetic analysis using amino acid sequences have identified a group of GTs with the same regiospecific activity. The structures of these closely related GTs were modeled using homologous GT structures. Their substrate binding sites were elaborated by docking flavonoid acceptor and UDP-sugar donor molecules in the modeled structures. Eight regions near the acceptor binding site in the N- and C-terminal domain of GTs have been identified that bind and specifically glycosylate the 3-OH group of acceptor flavonoids. Similarly, a conserved motif in the C-terminal domain is known to bind a sugar donor substrate. In certain GTs, the substitution of a specific glutamine by histidine in this domain changes the preference of sugar from glucose to galactose as a result of changed pattern of interactions. The molecular modeling, docking, and molecular dynamics simulation studies have revealed the chemical and topological features of the binding site and thus provided insights into the basis of acceptor and donor recognition by GTs.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0092636}, author = {Sharma, Ranu and Panigrahi, Priyabrata and Suresh, C. G.} } @article { ISI:000344339700002, title = {Interactions of a low molecular weight inhibitor from streptomyces sp. MBR04 with human cathepsin D: implications in mechanism of inactivation}, journal = {Applied Biochemistry and Biotechnology}, volume = {174}, number = {5}, year = {2014}, month = {NOV}, pages = {1705-1723}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
Cathepsin D, a lysosomal aspartic protease, is of potential interest as a target for drug design due to its implication in breast and ovarian cancer. The article reports a low molecular weight cathepsin D inhibitor from Streptomyces sp. MBR04. The M-r of the inhibitor was 1,078 Da as determined by MALDI-TOF, and the amino acid analysis showed the presence of Asp, Asp, Gly, Ala, Lys, Leu, Tyr, Trp residues. The steady-state kinetic interactions revealed reversible, competitive, slow-tight-binding nature of the inhibitor with an IC50 and K (i) values of 3.2 and 2.5 nM, respectively. The binding of the inhibitor with the enzyme and the subsequent conformational changes were monitored by exploiting the intrinsic fluorescence of the surface exposed Trp-54 residue. Based on the fluorescence and circular dichroism studies, we demonstrate that the inhibitor binds to the active site of cathepsin D and causes inactivation. All these kinetic, thermodynamic, and quenching studies suggest that the newly isolated peptidic inhibitor could be a potential scaffold to study and can be used to develop new potent therapeutic lead molecule for the development of drugs. The inhibitor will be significant as a potential lead molecule to target cathepsin D.
}, keywords = {Cancer treatment, Cathepsin D inhibitor, Inactivation mechanism, Slow-tight-binding inhibition, Streptomyces sp MBR04}, issn = {0273-2289}, doi = {10.1007/s12010-014-1009-9}, author = {Menon, Vishnu and Rao, Mala} } @article { ISI:000344451800020, title = {Interchain relay of antiferromagnetic ordering in 1D Co(II) coordination polymers via pi-pi interactions}, journal = {CrystEngComm}, volume = {16}, number = {36}, year = {2014}, month = {SEP}, pages = {8523-8530}, type = {Article}, doi = {10.1039/c4ce01010h}, author = {Ahmad, Musheer and Das, Raja and Mrozinski, Jerzy and Bienko, Alina and Poddar, Pankaj and Bharadwaj, Parimal K.} } @article { ISI:000341543000009, title = {Intermediate hamiltonian fock space multireference coupled cluster approach to core excitation spectra}, journal = {Journal of Chemical Theory and Computation}, volume = {10}, number = {9}, year = {2014}, month = {SEP}, pages = {3656-3668}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The Fock space multireference coupled cluster (FSMRCC) method provides an efficient approach for the direct calculation of excitation energies. In intermediate Hamiltonian (IH-FSMRCC) formulation, the method is free from intruder state problems and associated convergence difficulties, even with a large model space. In this paper, we demonstrate that the IH-FSMRCC method with suitably chosen model space can be used for the accurate description of core excitation spectra of molecules, and our results are in excellent agreement with the experimental values. We have investigated the effect of choice of model space on the computed results. Unlike the equation-of-motion (EOM)-based method, the IH-FSMRCC does not require any special technique for convergence and in singles and doubles approximation gives a performance comparable to that of the standard EOMEE-CCSD method, even better in some of the cases.
}, issn = {1549-9618}, doi = {10.1021/ct500285e}, author = {Dutta, Achintya Kumar and Gupta, Jitendra and Vaval, Nayana and Pal, Sourav} } @article { ISI:000336942100020, title = {Investigation of C-C bond formation mediated by bombyx mori silk fibroin materials}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {6}, year = {2014}, month = {JUN}, pages = {1510-1517}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The formation of C-C bonds is a prerequisite for all life on earth. Understanding the role of proteins in mediating the formation of these bonds is important for understanding biological mechanisms in evolution, as well as for designing {\textquoteleft}{\textquoteleft}green catalysts{\textquoteright}{\textquoteright}. In this work, the ability of silk fibroin (SF) proteins to mediate selective C-C bond formation under mild conditions was comprehensively evaluated and compared between different SF-based materials and other proteins. Aqueous SF solution (ASFS), freeze-dried SF (FDSF), mesoporous SF (MPSF), and SF hydrogel (SFHG) materials were prepared and characterized by a variety of techniques including, among others, FE-SEM, ICP-OES, FT-IR, and TGA. The nitroaldol (Henry) reaction, Knoevenagel condensation, and direct aldol reaction were used as models for this study, in which the recovery and reusability of the protein was also evaluated.
}, keywords = {Aldol-like reactions, C-C Bond formation, Knoevenagel condensation, Proteins, Silk fibroin}, issn = {2168-0485}, doi = {10.1021/sc500184r}, author = {Kuehbeck, Dennis and Ghosh, Munmun and Sen Gupta, Sayam and Diaz, David Diaz} } @article { ISI:000341141800050, title = {Investigation of gas permeation properties of film forming polymeric ionic liquids (PILs) based on polybenzimidazoles}, journal = {Journal of Membrane Science}, volume = {470}, year = {2014}, month = {NOV}, pages = {494-503}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Polymeric ionic liquids (PILs) are emerging as new generation membrane materials for CO2 separation. Gas permeation properties of a recently developed PIL family based on three structurally different polybenzimidazoles (PBIs) possessing excellent film forming characteristics are reported. Effects of cationic backbone and anions on gas permeation properties of PILs using pure gases (He, H-2, N-2, CH4, and CO2) were examined at 20 atm upstream pressure and correlated with their physical properties. In comparison to the parent PBIs, PILs exhibited generally higher CO2 permeability, without largely affecting CO2 based selectivity. Some of these PILs exhibiting high PCO2/PCH4, selectivity and P-H2/P-CO2, approaching similar to 1 indicated dominance of CO2 sorption over diffusion. The CO2 sorption specificity of these PILs was distinctly observed based on their improved S-CO2/S-N2, S-CO2/S-CH4 and S-CO2/S-H2 selectivity than their parent PBIs. A large variation in permeation properties of PILs based on a common polycation but different anions indicated that anions play a crucial role on governing gas permeation properties of these PILs. (C) 2014 Elsevier B.V. All rights reserved
}, keywords = {Gas permeation, Membranes for CO2 separation, Polybenzimidazole, Polymeric ionic liquid}, issn = {0376-7388}, doi = {10.1016/j.memsci.2014.07.076}, author = {Bhavsar, Rupesh S. and Kumbharkar, Santosh C. and Kharul, Ulhas K.} } @article { ISI:000328952500024, title = {Investigations into variations in local cationic environment in layered oxide series InGaO3(ZnO)(m) (m=1-4)}, journal = {Dalton Transactions}, volume = {43}, number = {5}, year = {2014}, month = {NOV}, pages = {2120-2126}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Layered oxides of the series InGaO3(ZnO)(m) (m = 1-4) are interesting due to their structural anisotropy. Here, we report a comprehensive study of their structural details, focusing on the local cationic environment in bulk powder samples by MASNMR and EXAFS, which is hitherto not attempted. It is found that the Ga geometry varies gradually from pure pentacoordinated to a mixture of penta and tetracoordinated with increasing amounts of tetracoordination as we move across the series, contrary to previous reports suggesting exclusively trigonal bipyramidal coordination in all the compounds. A similar observation is also made in the case of Zn and structural evolution involving the dissolution of Ga in a ZnO4 tetrahedral network in a sandwich layer can be discerned, as the insulating ZnO layer size increases.
}, issn = {1477-9226}, doi = {10.1039/c3dt52011k}, author = {Narendranath, Soumya B. and Yadav, Ashok Kumar and Ajithkumar, Thalasseril G. and Bhattacharyya, Dibyendu and Jha, Shambhu Nath and Dey, Krishna K. and Raja, Thirumalaiswamy and Devi, R. Nandini} } @article { ISI:000342770500024, title = {Invoking pairwise interactions in water-promoted diels-alder reactions by using ionic liquids as cosolvents}, journal = {Chemphyschem}, volume = {15}, number = {14}, year = {2014}, month = {OCT}, pages = {3067-3077}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Rate constants and derived activation parameters of organic reactions in aqueous media, in particular Diels-Alder reactions, are sensitive to the presence of cosolvents in water. To enhance the solubility window of water, we introduced ionic liquids as cosolvents in the aqueous Diels-Alder reaction between anthracene-9-carbinol and N-ethylmaleimide. The reactive potentials of the organic compounds are parameterized by using semi-empirical quantum chemical methods. The principle of Savage-Wood additivity of group interactions is used to quantify the pairwise group interactions among chemically inert ionic liquids and organic reactants, both at initial and transition states of the reaction. The present approach shows promise, as the use of simple calculations from easily available kinetic data can help researchers to understand the versatility of green ionic-liquid alternatives to volatile organic solvents.
}, issn = {1439-4235}, doi = {10.1002/cphc.201402338}, author = {Manna, Arpan and Kumar, Anil} } @article { ISI:000338118400007, title = {Iodine-catalyzed aromatization of tetrahydrocarbazoles and its utility in the synthesis of glycozoline and murrayafoline A: a combined experimental and computational investigation}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {27}, year = {2014}, month = {JUN}, pages = {4832-4836}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new protocol for the aromatization of tetrahydrocarbazoles has been achieved using a catalytic amount of iodine, giving high yields. The role of iodine in the aromatization has been explained by DFT, and its wide scope is extended to the total synthesis of glycozoline and murrayafoline A. This method has proven to be tolerant of a broad range of functional groups.
}, issn = {1477-0520}, doi = {10.1039/c4ob00635f}, author = {Humne, Vivek T. and Dangat, Yuvraj B. and Vanka, Kumar and Lokhande, Pradeep} } @article { ISI:000337783900075, title = {Ionic control on the morphology of ytterbium manganese oxide nanorods and nanoplates in a surfactant-free synthesis and their magnetic properties}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {24}, year = {2014}, month = {JUN}, pages = {13268-13275}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Here, we report the synthesis of multiferroic, single-crystalline ID YbMnO3 in nanoregime. By using ionic chemistry without the use of surfactant or template, we demonstrate control synthesis of one- and two-dimensional nanoparticles of YbMnO3. Magnetic properties of YbMnO3 show influence of morphology. Detailed alternating current (ac) and direct current (dc) magnetic study shows ferromagnetic interaction of Mn3+ and Yb3+ moments in nanorods of YbMnO3 below similar to 35 K.
}, issn = {1932-7447}, doi = {10.1021/jp503591f}, author = {Das, Raja and Poddar, Pankaj} } @article { ISI:000339367500022, title = {Ionization-induced tautomerization in cytosine and effect of solvation}, journal = {Journal of Physical Chemistry A}, volume = {118}, number = {28}, year = {2014}, month = {JUL}, pages = {5323-5332}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The recent observation of excitation-induced tautomerization in gas-phase cytosine motivated us to investigate the possibility of facile tautomerization in ionized cytosine and the effect of solvation on the tautomerization barriers. The tautomerization mechanisms were characterized at the density functional theory (DFT)omega B97X-D and coupled-cluster singles and doubles (CCSD) levels of theory. Vertical and adiabatic ionization energies (VIEs and AIEs, respectively) of the tautomers of cytosine and the microsolvated species were calculated with the equation-of-motion ionization-potential coupled-cluster (EOM-IP-CCSD) method. We observed that, in microsolvated cytosine, the solvatochromic shifts of the VIEs can be both blue- and red-shifted depending on the tautomers. This is explained by the analysis of the charge dipole interactions between the cytosine and water molecules. We noticed that, upon ionization, gas-phase tautomerization barriers are reduced by 0-4 kcal/mol, whereas microsolvated (with one water) tautomerization barriers are reduced by 4-5 kcal/mol. We also investigated the tautomerization process in solvation using a continuum model with one active water molecule in the quantum mechanical region. We noticed that, even though bulk solvation has a significant effect on ionization energies, its effect on the ionization-induced tautomerization barrier is minimal.
}, issn = {1089-5639}, doi = {10.1021/jp503947d}, author = {Das, Tamal and Ghosh, Debashree} } @article {43391, title = {Isohexide-diacetal based polymers and a process thereof}, number = {PCT/IN2014/000318}, year = {2014}, month = {NOV}, abstract = {
The present invention discloses isohexide based compounds and their polymers which are derived from renewable resources and are potentially degradable. Also disclosed herein is the synthesis of isohexide based monomers and their polymers from renewable resources which are potentially degradable. Further, the present invention disclose a process for the synthesis of isohexide based copolymers via copolymerization of isohexide based monomers and long chain diols, which are degradable. (FR)Cette invention concerne des compos{\'e}s {\`a} base d{\textquoteright}isohexide et leurs polym{\`e}res qui sont d{\'e}riv{\'e}s de ressources renouvelables et sont potentiellement d{\'e}gradables. Cette invention concerne {\'e}galement la synth{\`e}se de monom{\`e}res {\`a} base d{\textquoteright}isohexide et leurs polym{\`e}res {\`a} partir de ressources renouvelables qui sont potentiellement d{\'e}gradables. Un proc{\'e}d{\'e} de synth{\`e}se de copolym{\`e}res {\`a} base d{\textquoteright}isohexide par copolym{\'e}risation desdits monom{\`e}res {\`a} base d{\textquoteright}isohexide et de diols {\`a} cha{\^\i}ne longue, qui sont d{\'e}gradables, est en outre d{\'e}crit.
}, author = {Chikkali, Samir H. and Rajput, Bhausaheb S.} } @article { ISI:000340826700002, title = {Isolation, characterization and antihyperlipidemic activity of secoisolariciresinol diglucoside in poloxamer-407-induced experimental hyperlipidemia}, journal = {Pharmaceutical Biology}, volume = {52}, number = {9}, year = {2014}, month = {SEP}, pages = {1094-1103}, publisher = {INFORMA HEALTHCARE}, address = {TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND}, abstract = {
Context: Linum usitatissimum L. (Linaceae), commonly known as flaxseed, is a good source of dietary fiber and lignans. Earlier we reported cardioprotective, antihyperlipidemic, and in vitro antioxidant activity of flax lignan concentrate (FLC) obtained from flaxseed. Objectives: To isolate secoisolariciresinol diglucoside (SDG) from FLC and to evaluate the antihyperlipidemic activity of SDG in poloxamer-407 (P-407)-induced hyperlipidaemic mice. Material and methods: FLC was subjected to column chromatography and further subjected to preparative HPTLC to isolate SDG. The chemical structure of the isolated compound was elucidated by UV, IR, H-1 NMR, C-13 NMR, DEPT, COSY, HSQC, HMBC, ROESY, MS, and specific optical rotation was recorded. Further, we have investigated the antihyperlipidaemic effect of SDG (20 mg/kg) in P-407-induced hyperlipidaemic rats. Hyperlipidaemia was induced by intraperitoneal administration of P-407 (30\% w/v). Serum lipid parameters such as total cholesterol (TC), triglycerides (TG), and high-density lipoprotein cholesterol (HDL-C) levels were measured. Results and discussion: The structure and stereochemistry of the isolated compound were confirmed on the basis of 1D and 2D spectral data and characterized as SDG. Finally, isolated pure SDG was screened using a P-407-induced mice model for its antihyperlipidemic action using serum lipid parameters. The isolated SDG (20 mg/kg) significantly reduced serum cholesterol, triglyceride (p\<0.001), very low-density lipoprotein (p\<0.05), and non-significantly increased HDL-C. Conclusion: Finally, it was concluded unequivocally that SDG showed antihyperlipidaemic effects in P-407-induced hyperlipidaemic mice. Isolated pure SDG confirms that SDG is beneficial in the prevention of experimental hyperlipidemia in laboratory animals.
}, keywords = {column chromatography, flaxseed, Linum usitatissimum}, issn = {1388-0209}, doi = {10.3109/13880209.2013.877492}, author = {Zanwar, Anand A. and Hegde, Mahabaleshwar V. and Rojatkar, Supada R. and Sonawane, Kiran B. and Rajamohanan, P. R. and Bodhankar, Subhash L.} } @article { ISI:000341783900004, title = {Isolation of streptococcus tigurinus - a novel member of streptococcus mitis group from a case of periodontitis}, journal = {FEMS Microbiology Letters}, volume = {357}, number = {2}, year = {2014}, month = {AUG}, pages = {131-135}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Streptococcus tigurinus is a new member of the Streptococcus viridians group and is closely related to Streptococcus mitis, Streptococcus pneumoniae, Streptococcus pseudopneumoniae, Streptococcus oralis, and Streptococcus infantis. The type strain AZ_3a(T) of S. tigurinus was originally isolated from a patient with infective endocarditis. Accurate identification of S. tigurinus is facilitated only by newer molecular methods like 16S rRNA gene analysis. During the course of study on bacteraemia and infective endocarditis with reference to periodontitis and viridians group of streptococci, a strain of S. tigurinus isolated from subgingival plaque of a patient with periodontitis identified by 16S rRNA gene analysis, which was originally identified as Streptococcus pluranimalium by Vitek 2. Confirmation by 16S rRNA gene analysis showed 99.39\% similarity (1476/1485 bp) with S. tigurinus AZ_3a(T) (AORU01000002). To the best of our knowledge, this is the first report of isolation of S. tigurinus from the oral cavity of a periodontitis patient.
}, keywords = {periodontitis, Streptococcus tigurinus, VGS}, issn = {0378-1097}, doi = {10.1111/1574-6968.12519}, author = {Dhotre, Shree V. and Mehetre, Gajanan T. and Dharne, Mahesh S. and Suryawanshi, Namdev M. and Nagoba, Basavraj S.} } @article { ISI:000342315200005, title = {Kinetics of photocationically curable formulations involving glycerol diglycidyl ether and phenyl glycidyl ether}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {51}, number = {10}, year = {2014}, month = {OCT}, pages = {788-795}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 CHESTNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
Kinetic analysis of formulations based on glycerol diglycidyl ether and phenyl glycidyl ether were carried out in the presence of sulfonium salt as initiator at 35 mW cm(-2) using photo differential scanning calorimeter and the final conversion was found to increase with an increase in phenyl glycidyl ether content. The effects of formulation monomer ratios at three different temperatures were studied. The variations in the observed kinetic parameters can be related to increase in mobility of reactive species with temperature, distance of counter ion from the propagating cationic center, as well as extent of crosslinking reaction which controlled the course and duration of the reaction. The applicability of autocatalytic kinetic model was also evaluated and the system underwent early gelation and the activation energy decreased with an increase in phenyl glycidyl ether content. Analysis of stable photocured films containing glycerol diglycidyl ether and phenyl glycidyl ether showed better thermal stability than rigid films obtained with glycerol diglycidyl ether.
}, keywords = {autocatalytic kinetic model, Cationic photopolymerization, Glycidyl ether, Photo DSC}, issn = {1060-1325}, doi = {10.1080/10601325.2014.937124}, author = {Harikrishna, Reghunathan} } @article { ISI:000337930900028, title = {Kocuria indica sp nov., isolated from a sediment sample}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {64}, number = {3}, year = {2014}, month = {MAR}, pages = {869-874}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {
An actinobacterial strain was isolated from a sediment sample from Chorao Island, in Goa province, India, and subjected to a taxonomic investigation. The isolate, designated NIO-1021(T), was a Gram-stain positive, aerobic, non-motile and coccoid. Strain NIO-1021(T) was identified as a member of the genus Kocuria by a polyphasic approach. Strain NIO-1021(T) could be differentiated from other members of the genus Kocuria on the basis of physiology and 16S rRNA gene sequence analysis. The 16S rRNA gene sequence similarity of strain NIO-1021(T) to the most closely related species, Kocuria marina KCTC 9943(T), was 98.6\% with 19 nt differences). Furthermore, DNA-DNA hybridization analysis revealed that the novel strain had lower relatedness with the type strains of other members of the genus Kocuria. The strain formed a monophyletic clade with K. marina with 100\% bootstrap values. The major phospholipids were phosphatidylglycerol, diphosphatidylglycerol and two unidentified lipids. The predominant menaquinone was MK-7(H-2). The major fatty acids were anteiso-C-15:0, iso-C-(16:0) and anteiso-C-17:0. The DNA G+C content of strain NIO-1021(T) was 60.5 mol\%. Chemotaxonomic and phylogenetic properties of the strain were consistent with its classification as representing a member of the genus Kocuria. On the basis of phenotypic, chemotypic and molecular characteristics, strain NIO-1021(T) is considered to represent a novel species of the genus Kocuria, for which the name Kocuria indica sp. nov. is proposed, with strain NIO-1021(T) (=NCIM 5455(T)=DSM 25126(T)=CCTCC AA 209050(T)) as the type strain.
}, issn = {1466-5026}, doi = {10.1099/ijs.0.052548-0}, author = {Dastager, Syed Gulam and Tang, Shan-Kun and Srinivasan, Krishnamurthi and Lee, Jae-Chan and Li, Wen-Jun} } @article { ISI:000330204700002, title = {Large amplitude oscillatory shear induces crystal chain orientation in velocity gradient direction}, journal = {ACS Macro Letters}, volume = {3}, number = {1}, year = {2014}, month = {JAN}, pages = {6-9}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Imposition of large amplitude oscillatory shear (LAOS) on crystallizing polymer melts results in lamellar orientation in the shear gradient direction, in contrast to the flow-orientation observed for steady shear. LAOS enhances the formation of plate-like nuclei and orients their normals in the gradient direction. An Arrhenius temperature dependence (with activation energy approximate to 226 kJ/mol) characterizes the relaxation of crystal orientation with annealing.
}, issn = {2161-1653}, doi = {10.1021/mz4005716}, author = {Sreenivas, K. and Kumaraswamy, Guruswamy} } @article { ISI:000332188100018, title = {Large increase in the energy product of Fe3Se4 by Fe-site doping}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {8}, year = {2014}, month = {FEB}, pages = {4016-4022}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Fe3Se4 possesses a large coercivity at room temperature. At lower temperature, a coercivity value up to 40 kOe has been achieved. However, due to a relatively lower saturation magnetization value, the energy product of this material is not suitable for its use as rare-earth-free hard magnetic material. Although the anisotropy and magnetic structure of Fe3Se4 have been topics of research, there is no attempt to increase the energy product. Here, we report the synthesis of Fe3-xMnxSe4 (x = 0.01-0.2) nanorods. As required for practical applications, after doping, the Curie temperature remains unchanged; however, at optimum (x = 0.03) doping of manganese ions, the magnetization of the host matrix increases significantly from 4.84 to 7.54 emu/g. The corresponding energy product value was found to be increased by more than 130\%. At low temperature (10 K) the energy product shows almost a 2 order of magnitude increase (similar to 0.12 MG Oe), which makes it valuable for many low temperature applications. This improvement is a vital step for its use in some of the household applications where a large volume and relatively lower energy product are needed.
}, issn = {1932-7447}, doi = {10.1021/jp411956q}, author = {Sen Bishwas, Mousumi and Das, Raja and Poddar, Pankaj} } @article { ISI:000337521700013, title = {Large magnetocaloric effect, moment, and coercivity enhancement after coating Ni nanoparticles with Ag}, journal = {ChemPhysChem}, volume = {15}, number = {8}, year = {2014}, month = {JUN}, pages = {1619-1623}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
We observe a large magnetocaloric effect in monodisperse Ni and NicoreAgshell nanoparticles in the superparamagnetic region. The organically passivated Ni nanospheres show a large magnetic entropy change of 0.9 J kg(-1)K for a 3 T magnetic field change. In comparison to the surfactant-coated Ni nanoparticles, the NicoreAgshell nanoparticles show an enhanced coercivity, magnetization, and magnetocaloric effect (1.3 kgK for a 3 T magnetic field change). The coercivity at 10 K increases from 360 Oe for Ni nanoparticles to nearly 610 Oe for NicoreAgshell particles. This large enhancement is attributed to the enhanced inter-particle interaction, which is mediated by the metallic shell, over the relatively weaker dipolar interaction in the surfactant-coated Ni nanoparticles, and to modification of the surface spin structure.
}, keywords = {anisotropy, core-shell, magnetic properties, Nanoparticles, superparamagnetic}, issn = {1439-4235}, doi = {10.1002/cphc.201300886}, author = {Srinath, Sanyadanam and Poddar, Pankaj and Das, Raja and Sidhaye, Deepti and Bhagavatula L. V. Prasad and Gass, James and Srikanth, Hariharan} } @article {46404, title = {Large scale synthesis of graphene quantum dots (GQDs) from waste biomass and their use as an efficient and selective photoluminescence on-off-on probe for Ag+ ions}, journal = {Nanoscale}, volume = {6}, year = {2014}, month = {MAR}, pages = {11664-11670}, type = {Article}, abstract = {
Graphene quantum dots (GQDs) are synthesized from bio-waste and are further modified to produce amine-terminated GQDs (Am-GQDs) which have higher dispersibility and photoluminescence intensity than those of GQDs. A strong fluorescence quenching of Am-GQDs (switch-off) is observed for a number of metal ions, but only for the Ag+ ions is the original fluorescence regenerated (switch-on) upon addition of L-cysteine.
}, issn = {2040-3364}, doi = {10.1039/c4nr02494j}, author = {Suryawanshi, Anil and Biswal, Mandakini and Mhamane, Dattakumar and Gokhale, Rohan and Patil, Shankar and Guin, Debanjan and Ogale, Satishchandra} } @article { ISI:000343988200032, title = {Layer-separated distribution of nitrogen doped graphene by wrapping on carbon nitride tetrapods for enhanced oxygen reduction reactions in acidic medium}, journal = {Chemical Communications}, volume = {50}, number = {89}, year = {2014}, month = {SEP}, pages = {13769-13772}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Layer-separated 3D nitrogen doped graphene (NG) with an accessible interstitial surface and modulated activity characteristics for oxygen reduction in acidic medium could be prepared by wrapping NG sheets on in situ generated carbon nitride (CNx) tetrapods.
}, issn = {1359-7345}, doi = {10.1039/c4cc06180b}, author = {Unni, SreeKuttan M. and Illathvalappil, Rajith and Gangadharan, Pranav K. and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article { ISI:000330603800038, title = {Leucaena sp recombinant cinnamyl alcohol dehydrogenase: purification and physicochemical characterization}, journal = {International Journal of Biological Macromolecules}, volume = {63}, year = {2014}, month = {FEB}, pages = {254-260}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Cinnamyl alcohol dehydrogenase is a broad substrate specificity enzyme catalyzing the final step in monolignol biosynthesis, leading to lignin formation in plants. Here, we report characterization of a recombinant CAD homologue (LICAD2) isolated from Leucaena leucocephala. LICAD2 is 80 kDa homodimer associated with non-covalent interactions, having substrate preference toward sinapaldehyde with K-cat/K-m of 11.6 x 10(6) (M-1 s(-1)), and a possible involvement of histidine at the active site. The enzyme remains stable up to 40 C, with the deactivation rate constant (K-d*) and half-life (t(1/2)) of 0.002 and 5 h, respectively. LICAD2 showed optimal activity at pH 6.5 and 9 for reduction and oxidation reactions, respectively, and was stable between pH 7 and 9, with the deactivation rate constant (K-d*) and half-life (t(1/2)) of 7.5 x 10(-4) and 15 h, respectively. It is a Zn-metalloenzyme with 4 Zn2+ per dimer, however, was inhibited in presence of externally supplemented Zn2+ ions. The enzyme was resistant to osmolytes, reducing agents and non-ionic detergents. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Cinnamyl alcohol dehydrogenase (CAD), Metalloenzyme, Substrate specificity}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.09.005}, author = {Patel, Parth and Gupta, Neha and Gaikwad, Sushama M. and Agrawal, Dinesh C. and Khan, Bashir Mohammad} } @article { ISI:000329337000031, title = {Ligand-free one-step synthesis of {001} faceted semiconducting BiOCl single crystals and their photocatalytic activity}, journal = {Crystal Growth \& Design}, volume = {14}, number = {1}, year = {2014}, month = {JAN}, pages = {236-239}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Herein, we report one-step ligand-free hydrothermal synthesis of predominantly {001}-faceted micron-sized single crystals of bismuth oxychloride (BiOCl). The structural chlorine is obtained by in situ generation of chloride ions. From Raman spectra, we could resolve the E-g transition. Photocatalytic activity of as-synthesized crystals showed 78\% degradation of RhB dye under a xenon source after 120 min of exposure.
}, issn = {1528-7483}, doi = {10.1021/cg4014366}, author = {Biswas, Anupam and Das, Raja and Dey, Chandan and Banerjee, Rahul and Poddar, Panka} } @article { ISI:000330799900051, title = {Lignocellulose processing: a current challenge}, journal = {RSC Advances}, volume = {4}, number = {16}, year = {2014}, month = {JAN}, pages = {8271-8277}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Lignocellulosic biomass, of which inedible crops are a renewable source, is expected to become one of the key renewable energy resources in the near future, to deal with global warming and the depletion of conventional fossil fuel resources. It also holds the key to supplying society{\textquoteright}s basic needs for the sustainable production of chemicals and fuels without impacting the human food supply. Despite this, the production of 2nd generation biofuels and chemicals has not yet been commercialized. Therefore, the challenges involved in the production of lignocellulosic biomass derived fuels and chemicals must be addressed. The search for economic pretreatment methods has been recognized as one of the main hurdles for the processing of biomass to biofuels and chemicals. The conversion of all biomass components, lignin in particular, would greatly contribute to the economic viability of biomass based processes for 2nd generation biofuels and chemicals. The highly organized crystalline structure of cellulose presents an obstacle to its hydrolysis. Hydrolysis of lignocellulose carbohydrates into fermentable sugars requires a number of different biomass degrading enzymes such as cellulases and hemicellulases. Still, a number of technical and scientific issues within pretreatment and hydrolysis remain to be solved. Depending on the raw material and pretreatment technology, the enzyme mixtures must be designed to degrade biomass carbohydrates. Rapid advances in enzyme, microbial and plant engineering would provide the necessary breakthroughs for the successful commercialization of biomass derived fuels and chemicals.
}, issn = {2046-2069}, doi = {10.1039/c3ra46112b}, author = {Singhvi, Mamata S. and Chaudhari, Shivani and Gokhale, Digambar V.} } @article { ISI:000343974100034, title = {Linearly polarized emission from self-assembled microstructures of mesogenic polythiophenes}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {43}, year = {2014}, month = {SEP}, pages = {23809-23818}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This work reports on linearly polarized photoluminescence and electroluminescence through spontaneous self-assembly of mesogenic polythiophenes under ambient conditions. A systematic structural variation and different alkyl chain lengths lead to three series of closely related mesogenic polythiophenes viz.; TPn, TNn and TVn. Polarized light emitting diodes fabricated from TV12 by solution processing with the configuration of ITO/PEDOT:PSS/Polymer/Al show linearly polarized electroluminescence with a dichroic ratio of 14.32. Spun thin films of TV12 elicited a dichroic ratio of 15.02 in photoluminescence. Studies using a range of techniques such as; atomic force microscopy, grazing incidence X-ray diffraction, fluorescence anisotropy, linear dichroism, fluorescence lifetime and dynamic light scattering reveal that the presence of highly ordered self-assembly was responsible for the dimensional confinement of optoelectronic properties. The ordering in the thin films originates from vinyl groups in the side chains of the TV12 polymer. Further studies on device characteristics show higher charge carrier mobility in polymers with vinyl side chains. Solution processed PLEDs show a maximum brightness of 863 cd m(-2) for the TP12 polymer and TV12 based LEDs show a maximum brightness of 524 cd m(-2).
}, issn = {1463-9076}, doi = {10.1039/c4cp03457k}, author = {Ananthakrishnan, Soundaram Jeevarathinam and Wadgaonkar, Prakash P. and Somanathan, Narayanasastri} } @article { ISI:000336115000029, title = {Lipase mediated separation of triterpene structural isomers, alpha- and beta-amyrin}, journal = {Tetrahedron Letters}, volume = {55}, number = {19}, year = {2014}, month = {MAY}, pages = {3122-3125}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Pentacyclic triterpenoids alpha- and beta-amyrin possess a wide range of biological and pharmacological activities. High structural similarity between these two structural isomers makes their chromatographic separation an ineffective and tedious choice. In this study, Candida rugosa lipase catalyzed separation protocol for the isolation of individual isomers has been developed. In the presence of vinyl acetate as the acyl donor, Candida rugosa lipase carried out acetylation of beta-amyrin more efficiently as compared to alpha-amyrin leading to a kinetic separation. The conditions of transesterification reaction were optimized systematically, which was utilized to separate alpha- and beta-amyrin from a mixture obtained from the latex of Plumeria obtusa. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Amyrin, Candida rugosa, Kinetic separation, Lipase, Structural isomer}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.04.015}, author = {Haldar, Saikat and Kale, Balaji S. and Jadhav, Dipesh D. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000336107400002, title = {Living plant-mediated synthesis of different shaped gold nanoparticles}, journal = {Nanoscience and Nanotechnology Letters}, volume = {6}, number = {4}, year = {2014}, month = {APR}, pages = {279-283}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
We demonstrate extracellular green synthesis of gold nanoparticles with different shapes and sizes by using live Prosopis juliflora L. seedling. The conversion of ionic to metallic gold nanoparticles by P. juliflora seedling was carried out in short period. The formed nanoparticles were characterized by UV, TEM, Diffraction and EDS. TEM shows well dispersed particles of different shapes and sizes. The percentage of different shapes of nanoparticles was calculated, most of the particles were spherical in shape (75\%). The triangle nanoparticles were 10\%, followed by squares (8\%), hexagonal (5\%) and rods (2\%). The diffraction shows the formed nanoparticles are crystalline in nature and EDS confirms the formed nanoparticles are of gold. This shows P. juliflora seedling can synthesis different shapes of well dispersed nanoparticles.
}, keywords = {Gold, Nanoparticles, Prosopis juliflora, Shapes, synthesis, TEM}, issn = {1941-4900}, doi = {10.1166/nnl.2014.1756}, author = {Raju, D. and Paneliya, Nikita and Mehta, Urmil J.} } @article {46402, title = {Low temperature grown CuBi2O4 with flower morphology and its composite with CuO nanosheets for photoelectrochemical water splitting}, journal = {Journal of Materials Chemistry A}, volume = {2}, year = {2014}, month = {MAR}, pages = {3661-3668}, type = {Article}, abstract = {
In this work we highlight a peculiar synthesis protocol for the p-type ternary metal oxide system of copper bismuth oxide (CuBi2O4), which yields a highly crystalline spherulitic morphology at a low temperature of 78 degrees C. We associate this growth with the hydrogen bonding effects imparted by the ethanol-water co-solvent system used for the synthesis. We present a detailed growth mechanism by evaluating different synthesis conditions systematically. Furthermore we show that upon the use of the non-stoichiometric (excess copper) precursor mixture under the same experimental conditions the growth of spherulitic CuBi2O4 changes the size and type of the spherulites. Interestingly, careful optimization of the nonstoichiometric synthesis presents a complete impediment to the spherulitic growth and produces a composite of nanorods of CuBi2O4 and nanosheets of CuO. This anisotropic nanocomposite shows an order of magnitude higher surface area as compared to spherulitic CuBi2O4. Since both CuBi2O4 and CuO are visible light absorbing p-type semiconductors, when the synthesized nanocomposite materials are examined as photoelectrochemical (PEC) photocathodes for water splitting, they show a remarkable dependence on the morphology and phase constitution. Almost 13-fold stronger PEC response is observed as the morphology changes from spherulites to nanorods.
}, issn = {2050-7488}, doi = {10.1039/c3ta14906d}, author = {Patil, Rupali and Kelkar, Sarika and Naphadeab, Rounak and Ogale, Satishchandra} } @article { ISI:000329886900016, title = {Luminescence and photocatalytic studies of Sm3+ ion doped SnO2 nanoparticles}, journal = {New Journal of Chemistry}, volume = {38}, number = {1}, year = {2014}, month = {JAN}, pages = {115-121}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Sm3+ ion doped tetragonal SnO2 nanoparticles have been synthesized by the polyol method and its concentration and annealing effects on photoluminescence properties are studied. The XRD results show the changes of lattice parameters with the incorporation of the Sm3+ ion into the SnO2 host lattices. Fourier transform infrared (FTIR) data indicate the formation of a Sn-O bond and capping of the nanoparticles by ethylene glycol. The broad emission peaks observed around 350 to 550 nm are attributed to the emission from defects or traps present in the host SnO2. The typical emission peaks of the Sm3+ ion are observed and there is efficient energy transfer between the host, SnO2 and the dopant, Sm3+ ion. Further, the prepared samples are experimented towards the photocatalytic behavior on selected triphenylmethane dyes, Ethyl Violet (EV) and Brilliant Green (BG). The degradation of dyes was found to be enhancing in the presence of Sm3+ ions as it suppress the e e(CB)(-) and h(VB)(+) recombination.
}, issn = {1144-0546}, doi = {10.1039/c3nj00759f}, author = {Singh, L. P. and Luwang, Meitram Niraj and Srivastava, S. K.} } @inbook {43324, title = {Machine learning methods in chemoinformatics for drug discovery}, booktitle = {Practical Chemoinformatics}, year = {2014}, pages = {133-194}, publisher = {Springer}, organization = {Springer}, chapter = {Machine Learning Methods in Chemoinformatics for Drug Discovery}, abstract = {It is well known that the structure of a molecule is responsible for its biological activity or physicochemical property. Here, we describe the role of machine learning (ML)/statistical methods for building reliable, predictive models in chemoinformatics. The ML methods are broadly divided into clustering, classification and regression techniques. However, the statistical/mathematical techniques which are part of the ML tools, such as artificial neural networks, hidden Markov models, support vector machine, decision tree learning, Random Forest and Naive Bayes and belief networks, are best suited for drug discovery and play an important role in lead identification and lead optimization steps. This chapter provides stepwise procedures for building ML-based classification and regression models using state-of-art open-source and proprietary tools. A few case studies using benchmark data sets have been carried out to demonstrate the efficacy of the ML-based classification for drug designing}, doi = {10.1007/978-81-322-1780-0_3}, author = {Karthikeyan, Muthukumarasamy and Vyas, Renu} } @article { ISI:000327686200049, title = {Magnesia doped Ag/Al2O3 - sulfur tolerant catalyst for low temperature HC-SCR of NOx}, journal = {Applied Catalysis B-Environmental}, volume = {144}, year = {2014}, month = {JAN}, pages = {408-415}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A series of magnesia doped Ag/Al2O3 catalysts were prepared by modified impregnation method using boehmite as alumina precursor. The prepared catalysts were characterized and tested for the SCR of NOx using propene as reductant under lean condition. Doping of magnesia improved the low temperature catalytic activity for HC-SCR of NOx as well as sulfur tolerance. Maximum 98\% NO conversion with 100\% selectivity for N-2 was obtained at 350 degrees C with 7\% Mg doping to Ag/Al2O3. The improvement in low temperature activity and the sulfur tolerance has been correlated to decreased acidity after addition of magnesia to alumina support. In situ FTIR study showed that the deactivation in the presence of SO2 was due to the sulfation of silver and aluminum sites in Ag/Al2O3 catalyst, however its formation was suppressed in case of magnesia doped Ag/Al2O3 improving its sulfur tolerance. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {HC-SCR, Low temperature activity, NOx, Sulfur tolerance}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2013.07.044}, author = {More, Pavan M. and Jagtap, Neelam and Kulal, Atul B. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000340809600002, title = {Magnetic alignment of gamma (core)-alpha (shell) Fe2O3 nanorods in a solid polymer electrolyte for Li-Ion batteries}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {33}, year = {2014}, month = {AUG}, pages = {18836-18845}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The temperature-dependent ionic conductivity and thermal properties are characterized for a solid polymer electrolyte of poly(ethylene oxide) (PEO) and LiClO4 filled with 1 wt \% gamma-phase core (maghemite) and alpha-phase shell (hematite) Fe2O3 nanorods. Samples are solvent-cast in the absence and presence of a 0.5 T magnetic field, dried at room temperature under vacuum for 72 h, and measured under nitrogen. Vibrating sample magnetometry indicates that the magnetic treatment aligns the nanorods to some extent in the desired orientation normal to the electrode surface. For samples with an ether oxygen to lithium ratio (EO/Li) of 10:1, the nanorods induce sample-to-sample variability in the ionic conductivity. The magnetic treatment eliminates this variability, and differential scanning calorimetry data support the observation that the magnetic treatment increases the structural homogeneity of the electrolyte. For samples with an EO/Li of 3:1, the ionic conductivity is 3 orders of magnitude larger for samples containing 5 times more of the crystal structure, (PEO)(6)/LiClO4. This result is surprising because an inverse relationship between crystallinity and conductivity is normally observed for semicrystalline, solid polymer electrolytes. When the crystal fraction is increased by a factor of 8 via the combination of nanorods and magnetic treatment, the conductivity does not continue to increase, showing that the effect does not persist beyond a critical fraction of (PEO)(6)/LiClO4. The results demonstrate that field-effect alignment of magnetic nanorods increases the crystal fraction and homogeneity of PEO/LiClO4, but does not affect the ionic conductivity in the range of salt and nanorod concentrations investigated.
}, issn = {1932-7447}, doi = {10.1021/jp501786r}, author = {Schaetzl, Dean M. and Li, Peng and Chaudhari, Nilima and Bernstein, Gary H. and Fullerton-Shirey, Susan K.} } @article { ISI:000329479500021, title = {Magnetism in disordered carbon as a function of the extent of graphitization}, journal = {Solid State Communications}, volume = {177}, year = {2014}, month = {JAN}, pages = {89-94}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Magnetic properties of disordered carbon have been investigated as a function of the extent of graphitization. It is found that the magnetization of the disordered carbon decreases with increasing degree of graphitization. Treatment with acid modifies the magnetic characteristics considerably and the original magnetic characteristics are retained upon further heat treatment. The results show that the intrinsic magnetic behavior of the disordered carbon depends on the microstructure and that the edge states play a critical role in deciding the magnetic interactions in the amorphous carbon system. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Amorphous carbon, disordered carbon, Graphitization, magnetic properties}, issn = {0038-1098}, doi = {10.1016/j.ssc.2013.09.037}, author = {Raj, K. Govind and Joy, Pattayil Alias} } @article { ISI:000339830200050, title = {Mapping of copper oxidation state using high pressure x-ray photoelectron spectroscopy}, journal = {Acta Physica Polonica A}, volume = {125}, number = {4}, year = {2014}, month = {APR}, pages = {1065-1066}, publisher = {POLISH ACAD SCIENCES INST PHYSICS}, address = {AL LOTNIKOW 32-46, PL-02-668 WARSAW, POLAND}, abstract = {
The interaction of O-2 with polycrystalline foil of Cu, from ultra high vacuum to 1 mbar and up to 773 K has been investigated. The study were performed by using the high pressure X-ray photoelectron spectroscopy (electron spectroscopy for chemical analysis) ultraviolet photoelectron spectroscopy system. In this work the results of mapping copper oxidation states as a function of temperature at 1 mbar O-2 have been presented.
}, issn = {0587-4246}, author = {Kowalska, J. and Gopinath, Chinnakonda S.} } @article { ISI:000337763200018, title = {Matrix-assisted laser desorption/ionization mass spectrometry analysis of dimethyl arginine isomers from urine}, journal = {Analytical Methods}, volume = {6}, number = {13}, year = {2014}, month = {APR}, pages = {4602-4609}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Isomeric asymmetric and symmetric dimethyl arginine (ADMA and SDMA respectively) residues are excreted in urine and are putative markers of cardiovascular and chronic kidney diseases. In this work, we demonstrate simultaneous and quantitative detection of endogeneous ADMA and SDMA from urine samples of healthy subjects using MALDI-TOF MS without any chromatographic separation. The DMA isomers yielded [M + H](+) ions along with their product ions formed due to MALDI in-source fragmentation. The precursor ions were validated using MALDI-TOF MS/MS as well as direct injection ESI-Q-TOF MS/MS. ADMA and SDMA generated unique product ions at similar to m/z 46 and similar to m/z 172 respectively in the MS-mode itself. These were advantageously used for full scan-mode absolute quantification of the isomeric metabolites. The m/z observed for all the ions was within 10 ppm mass accuracy. The calibration method was established by generating internal standard normalized peak area-based concentration response curves using synthetic standards. Good linearities (R-2 \> 0.95) with acceptable intra-assay, inter-assay variation (within 15\% RSD) and excellent recoveries were observed for quality control samples. Finally, endogeneous concentrations of the metabolites were determined in urine from healthy subjects (n = 11). ADMA and SDMA were found to be in the range of 1.6-8 mu M and 2.9-9.1 mu M in urine and were in agreement with previously reported physiological levels.
}, issn = {1759-9660}, doi = {10.1039/c4ay00309h}, author = {Bhattacharya, Nivedita and Singh, Ajeet and Ghanate, Avinash and Phadke, Gayatri and Parmar, Dharmesh and Dhaware, Deepika G. and Basak, Trayambak and Sengupta, Shantanu and Panchagnula, Venkateswarlu} } @article { ISI:000339540900006, title = {Matter of Size}, journal = {Scientist}, volume = {28}, number = {8}, year = {2014}, month = {AUG}, pages = {24-25}, publisher = {LABX MEDIA GROUP}, type = {Article}, address = {PO BOX 216, 478 BAY ST, MIDLAND, ONTARIO L4R 1K9, CANADA}, issn = {0890-3670}, author = {McNeil, Scott} } @article { ISI:000340469800044, title = {Mechanical downsizing of a gadolinium(iii)-based metal-organic framework for anticancer drug delivery}, journal = {Chemistry-A European Journal}, volume = {20}, number = {33}, year = {2014}, month = {AUG}, pages = {10514-10518}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A Gd-III-based porous metal-organic framework (MOF), Gd-pDBI, has been synthesized using fluorescent linker pDBI (pDBI=(1,4-bis(5-carboxy-1H-benzimidazole-2-yl)benzene)), resulting in a three-dimensional interpenetrated structure with a one-dimensional open channel (1.9x1.2nm) filled with hydrogen-bonded water assemblies. Gd-pDBI exhibits high thermal stability, porosity, excellent water stability, along with organic-solvent and mild acid and base stability with retention of crystallinity. Gd-pDBI was transformed to the nanoscale regime (ca. 140nm) by mechanical grinding to yield MG-Gd-pDBI with excellent water dispersibility (\>90min), maintaining its porosity and crystallinity. In vitro and in vivo studies on MG-Gd-pDBI revealed its low blood toxicity and highest drug loading (12wt\%) of anticancer drug doxorubicin in MOFs reported to date with pH-responsive cancer-cell-specific drug release.
}, keywords = {ball-milling, doxorubicin, drug delivery, metal-organic frameworks, nanocarriers}, issn = {0947-6539}, doi = {10.1002/chem.201402244}, author = {Kundu, Tanay and Mitra, Shouvik and Patra, Prasun and Goswami, Arunava and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000337018900007, title = {Mechanochemical synthesis of amide functionalized porous organic polymers}, journal = {Crystal Growth \& Design}, volume = {14}, number = {6}, year = {2014}, month = {JUN}, pages = {2729-2732}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Two porous organic polymers decorated with the amide functionality were synthesized mechanochemically and their properties were compared with the ones prepared by conventional solution mediated method. All the POPs were subjected to gas and water vapor sorption studies. The mechanochemically synthesized POPs have less surface area and show moderate adsorption properties compared to the solution mediated POPs. The amide based POPs show remarkable stability in water and concentrated acids.
}, issn = {1528-7483}, doi = {10.1021/cg500439f}, author = {Rajput, Lalit and Banerjee, Rahul} } @article { ISI:000342990400003, title = {Mechanosynthesis of imine, beta-ketoenamine, and hydrogen-bonded imine-linked covalent organic frameworks using liquid-assisted grinding}, journal = {Chemical Communications}, volume = {50}, number = {84}, year = {2014}, month = {JUL}, pages = {12615-12618}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A variety of aromatic amines/hydrazides and aldehydes have been utilized for the construction of crystalline COFs at a faster rate and in high yield, irrespective of their reactivity and solubility using the Liquid-Assisted Grinding (LAG) method.
}, issn = {1359-7345}, doi = {10.1039/c4cc03389b}, author = {Das, Gobinda and Shinde, Digambar Balaji and Kandambeth, Sharath and Biswal, Bishnu P. and Banerjee, Rahul} } @article { ISI:000336005600009, title = {Mesoporous, ligand free Cu-Fe solid catalyst mediated CS cross coupling of thiols with aryl halides}, journal = {Applied Catalysis A-General}, volume = {476}, year = {2014}, month = {APR}, pages = {54-60}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Solid catalyst derived from Cu-Fe hydrotalcite was demonstrated to be a novel, ligandless, efficient and environmentally greener catalyst for the synthesis of diaryl sulfurs from the C-S cross coupling reaction of substituted thiols with different aryl halides. This catalyst has shown higher product yield in the presence of dimethylformamide (as a solvent) and K2CO3 (as a base) at 120 C. Influence of different solvents and bases on the product yield has also been investigated. The catalyst can be easily separated from the reaction mixture, simply by filtration and reused several times without a significant loss of its activity. The catalyst has been fully characterized for its surface and bulk properties and the mesoporous CuO:Fe2O3 phase was attributed for its catalytic activity towards S-arylation reactions. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {C-S cross coupling, Cu-Fe-hydrotalcite, S-arylation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.02.015}, author = {Dumbre, Deepa K. and Selvakannan, P. R. and Patil, S. K. and Choudhary, Vasant R. and Bhargava, Suresh Kumar} } @article { ISI:000336838100008, title = {Metal-catalyzed cross-coupling reactions of halomaleic anhydrides and halomaleimides: synthesis of structurally interesting and biologically important natural and unnatural products}, journal = {Synthesis-Stuttgart}, volume = {46}, number = {3}, year = {2014}, month = {FEB}, pages = {281-289}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
This brief review presents a concise literature account of the metal-catalyzed cross-coupling reactions of halomaleic anhydrides and halomaleimides leading to significant synthetic and natural products. Metal-catalyzed Heck, Suzuki-Miyaura, Stille-Migita, Negishi, Hiyama, and Sonogashira cross-coupling reactions with palladium as the key element are discussed. The metal-catalyzed exchange of a vinylic leaving group by a carbon nucleophile, the SNV reaction, gives a diverse range of bioactive natural and unnatural products.
}, keywords = {bioactive natural and unnatural products, halomaleic anhydride, halomaleimide, metal-catalyzed cross-coupling, synthesis}, issn = {0039-7881}, doi = {10.1055/s-0033-1338579}, author = {Deore, Prashant S. and N. P. Argade} } @article { ISI:000344791100009, title = {Metallic few-layer flowerlike VS2 nanosheets as field emitters}, journal = {European Journal of Inorganic Chemistry}, number = {31}, year = {2014}, month = {NOV}, pages = {5331-5336}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
We report first-principles DFT calculations of the single-layer VS2 work function, the experimental synthesis of flower-like few-layer-thick VS2 nanosheets by a simple one-step hydrothermal method, and the investigation of their field emission properties. The turn-on field required to draw emission current densities of 1 and 10 mu A/cm(2) were 4 and 5.01 V/mu m, respectively. The observed turn-on field values are attributed to the high field enhancement factor (ca. 2500), which is due to presence of sharp protrusions in the VS2 nanosheets. Furthermore, the field-emission current stability of the VS2 emitter shows stable behavior over a period of 12 h. Further, DFT calculations show that the work function (f) of the single-layer VS2 emitter is 6.01 eV.
}, keywords = {Density functional calculations, field emission, Layered compounds, Nanostructures, Sulfur, Vanadium}, issn = {1434-1948}, doi = {10.1002/ejic.201402448}, author = {Rout, Chandra Sekhar and Khare, Ruchita T. and Kashid, Ranjit V. and Joag, Dilip S. and More, Mahendra A. and Lanzillo, Nicholas A. and Washington, Morris and Nayak, Saroj K. and Late, Dattatray J.} } @article { ISI:000334984000005, title = {Methane reforming with carbon dioxide over La-Ni-x-Ce1-x mixed oxide catalysts}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {53}, number = {4-5, SI}, year = {2014}, month = {FEB}, pages = {478-483}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
La-Ni-x-Ce1-x mixed oxide (0 \<= x \<= 1) catalysts have been hydrothermally prepared, characterized by physico-chemical techniques and evaluated for CO2 reforming of methane. High conversions are achieved for both methane and carbon dioxide over the LaNi0.6Ce0.4O3 catalyst tested under the conditions of CO2/CH4/N-2 ratio of 80/80/80. (total flow rate = 240 mL/min), space velocity of 28,800 h(-1) and at a temperature of 800 degrees C. The H-2/CO ratio in the syngas is stable at 0.93 +/- 0.02. Exchanging Ni with Ce, rather than with La as reported in the literature, appears to be a better option for the improved performance of the catalysts.
}, keywords = {Carbon dioxide reforming, Catalysts, Cerium, Dry reforming, Hydrothermal synthesis, Lanthanum, Methane reforming, Mixed oxides, Nickel}, issn = {0376-4710}, author = {Sagar, T. V. and Sreelatha, N. and Hanmant, G. and Upendar, K. and Lingaiah, N. and Rao, Kamaraju Seetha Rama and Satyanarayana, C. V. V. and Reddy, I. A. K. and Prasad, P. S. Sai} } @article { ISI:000329060100050, title = {Microemulsion mediated synthesis of triangular shape SnO2 nanoparticles: luminescence application}, journal = {Applied Surface Science}, volume = {290}, year = {2014}, month = {JAN}, pages = {332-339}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The triangular prism shapes of SnO2 center dot xH(2)O nanoparticles are prepared using microemulsion route. The effect of variation of water pool value on the formation of SnO2 nanoparticles was studied. There is the quantum size effect in absorption study of SnO2 nanoparticles. With the increase of the water pool value, there is a decrease in the band edge absorption energy suggesting the weak quantum confinement effect (QCE) in SnO2 nanoparticles. Quenching effect increases with increase of water to surfactant ratio in luminescence. There is no significant effect in lifetime values for SnO2 nanoparticles in both microemulsion and powder form. SnO2 nanoparticles show green emission due to oxygen vacancy. SnO2 nanoparticles when doped with Eu3+ ions give the enhanced luminescence of Eu3+ due to the surface mediated energy transfer from SnO2 to Eu3+ ion. (C) 2013 Elsevier B. V. All rights reserved.
}, keywords = {Microemulsion, Theoretical particle size calculation, Triangular nanoparticles}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2013.11.077}, author = {Luwang, Meitram Niraj} } @article { ISI:000342501300021, title = {Microfluidic platform for continuous flow synthesis of triangular gold nanoplates}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {443}, year = {2014}, month = {FEB}, pages = {149-155}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A microfluidic platform for the continuous flow synthesis of triangular gold nanoplates with and without surfactants is developed. The temperature profile in the microchannel, residence time and composition have been studied to understand effect of these parameters on the yield of the triangular nanoplates and were optimized for obtaining maximum yield of triangles. The flow synthesis approach has been demonstrated where the Br- ions can be supplied to the reaction mixture either from the surfactant viz. Cetyl trimethylammonium bromide (CTAB) or even from HBr. Apart from the Br- ions, the temperature gradient at the inlet of the continuous flow reactor is one of the key parameter that affects the yield of the triangular nanoplates. Finally we establish that with a right combination of the controlling parameters abetter yield of the Au nanotriangles by flow methods can be achieved even in the absence of surfactant. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Au nanotriangles, Flow synthesis, microreactor, Nucleation kinetics, Surfactants}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2013.10.047}, author = {Kumar, D. V. Ravi and Kulkarni, A. A. and Bhagavatula L. V. Prasad} } @article { ISI:000331132300040, title = {MicroRNA156: a potential graft-transmissible microrna that modulates plant architecture and tuberization in solanum tuberosum ssp andigena}, journal = {Plant Physiology}, volume = {164}, number = {2}, year = {2014}, month = {FEB}, pages = {1011-1027}, publisher = {AMER SOC PLANT BIOLOGISTS}, address = {15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA}, abstract = {
MicroRNA156 (miR156) functions in maintaining the juvenile phase in plants. However, the mobility of this microRNA has not been demonstrated. So far, only three microRNAs, miR399, miR395, and miR172, have been shown to be mobile. We demonstrate here that miR156 is a potential graft-transmissible signal that affects plant architecture and tuberization in potato (Solanum tuberosum). Under tuber-noninductive (long-day) conditions, miR156 shows higher abundance in leaves and stems, whereas an increase in abundance of miR156 has been observed in stolons under tuber-inductive (short-day) conditions, indicative of a photoperiodic control. Detection of miR156 in phloem cells of wild-type plants and mobility assays in heterografts suggest that miR156 is a graft-transmissible signal. This movement was correlated with changes in leaf morphology and longer trichomes in leaves. Overexpression of miR156 in potato caused a drastic phenotype resulting in altered plant architecture and reduced tuber yield. miR156 overexpression plants also exhibited altered levels of cytokinin and strigolactone along with increased levels of LONELY GUY1 and StCyclin D3.1 transcripts as compared with wild-type plants. RNA ligase-mediated rapid amplification of complementary DNA ends analysis validated SQUAMOSA PROMOTER BINDING-LIKE3 (StSPL3), StSPL6, StSPL9, StSPL13, and StLIGULELESS1 as targets of miR156. Gel-shift assays indicate the regulation of miR172 by miR156 through StSPL9. miR156-resistant SPL9 overexpression lines exhibited increased miR172 levels under a short-day photoperiod, supporting miR172 regulation via the miR156-SPL9 module. Overall, our results strongly suggest that miR156 is a phloem-mobile signal regulating potato development.
}, issn = {0032-0889}, doi = {10.1104/pp.113.230714}, author = {Bhogale, Sneha and Mahajan, Ameya S. and Natarajan, Bhavani and Rajabhoj, Mohit and Thulasiram, Hirekodathakallu V. and Banerjee, Anjan K.} } @article { ISI:000343016000001, title = {Microscopic hydration properties of the a beta(1-42) peptide monomer and the globular protein ubiquitin: a comparative molecular dynamics study}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {40}, year = {2014}, month = {OCT}, pages = {11591-11604}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Atomistic molecular dynamics simulations of eight selected conformations of a disordered protein amyloid beta (1-42) (A beta), and a globular protein, ubiquitin(UBQ), have been carried out in aqueous media at 310 K. Detailed analyses were carried out to compare the microscopic properties of water molecules present in the hydration layers of these systems. It is notices that irrespective of the conformational heterogeneity among the A beta monomers, water molecules hydrating UBQ. Importantly, the conformational heterogeneity of the A beta monomers has been found to affect the translational and rotational motions of hydration water molecules in a nonuniform manner. Detailed investigation of the timescale of hydrogen bond relaxations at the surface and their energetics revealed the possibility of heterogeneous confinement around different A beta conformations. The distribution of water density fluctuation around A beta conformations are broader compared density fluctuation among the A beta monomers suggests that the structural propensities could affect the peptides effective surface hydrophobicity.
}, issn = {1520-6106}, doi = {10.1021/jp505629q}, author = {Jose, Jaya C. and Khatua, Prabir and Bansal, Nupur and Sengupta, Neelanjana and Bandyopadhyay, Sanjoy} } @article { ISI:000343673200022, title = {Mitigating the cytotoxicity of graphene quantum dots and enhancing their applications in bioimaging and drug delivery}, journal = {ACS Macro Letters}, volume = {3}, number = {10}, year = {2014}, month = {OCT}, pages = {1064-1068}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Despite the promising photophysical properties of fluorescent graphene quantum dots (GQDs), their cellular toxicity needs to be addressed before their full potential could be completely realized in biomedicine. A simple method for mitigating the toxicity of GQDs by embedding them in PEG matrix is reported here. The enhanced biocompatibility of polymer modified, P-GQDs, is attributed to reduced reactive oxygen species generation, as measured by an intracellular ROS assay. We also demonstrate the enhanced loading and efficient intracellular delivery of therapeutics by P-GQDs.
}, issn = {2161-1653}, doi = {10.1021/mz500479k}, author = {Chandra, Anil and Deshpande, Sonal and Shinde, Dhanraj B. and Pillai, Vijayamohanan K. and Singh, Neetu} } @article { ISI:000339628400017, title = {Model atomistic protrusions favouring the ordering and retention of water}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {30}, year = {2014}, month = {JUN}, pages = {15856-15865}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The ordering of water molecules near model linear atomistic protrusions is studied using classical molecular dynamics simulations. The protrusions are made up of Lennard-Jones particles of hydrophobic and hydrophilic blocks. Simulations are performed at a range of temperatures and pressures, keeping the position of the protrusions fixed. At different temperatures and pressures, the ordering and residence time of water molecules is enhanced on the surface of the hydrophilic block. Detailed analysis of the systems shows that the surface region is potentially the most energetically favorable for water molecules, which is consistent with the tetrahedral ordering of water molecules. A competition between energetics and structuring is observed from residence time calculations.
}, issn = {1463-9076}, doi = {10.1039/c4cp00094c}, author = {Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000340330500055, title = {Modeling chain-end scission using the fixed pivot technique}, journal = {Chemical Engineering Science}, volume = {116}, year = {2014}, month = {SEP}, pages = {601-610}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Chain-end scission of polymer molecules is the breakage of a fixed-size oligomer or monomer from either end of the macromolecule. A common example is the generation of the glucose monomer from the hydrolysis of starch by glucoamylase. Modeling the dynamics of chain-end scission from first principles by considering each molecular size is challenging due to the large number of differential equations to be solved. The Population Balance Modeling (PBM) is a helpful framework as it could be formulated to lump a few molecular sizes together. However, it is then not obvious how to accurately account for the temporal evolution of the low molecular weight species, which is often of the greatest industrial interest. Here, the Fixed Pivot (FP) technique - one of the methods to solve PBM equations was appropriately modified to address this difficulty. By treating the lower molecular size range as a discrete domain in conjunction with a continuous domain in the upper ranges, the modified FP technique not only retains its original strengths, but also captures accurately the distribution of oligomers including the monomer. The results, which were obtained at a fraction of computational expense, benchmarked very well against the exact solutions for a polymer with a broad size distribution at different Degrees of Polymerization up to similar to O(10(5)). To facilitate wider adoption, guidelines on choice of pivots and observations of the performance of the modified FP technique are also deliberated. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Chain-end scission, Fixed Pivot, Polymers, Population balance}, issn = {0009-2509}, doi = {10.1016/j.ces.2014.05.035}, author = {Ho, Yong Kuen and Doshi, Pankaj and Yeoh, Hak Koon and Ngoh, Gek Cheng} } @article { ISI:000339807200033, title = {Modeling gating charge and voltage changes in response to charge separation in membrane proteins}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {111}, number = {31}, year = {2014}, month = {AUG}, pages = {11353-11358}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {
Measurements of voltage changes in response to charge separation within membrane proteins can offer fundamental information on mechanisms of charge transport and displacement processes. A recent example is provided by studies of cytochrome c oxidase. However, the interpretation of the observed voltage changes in terms of the number of charge equivalents and transfer distances is far from being trivial or unique. Using continuum approaches to describe the voltage generation may involve significant uncertainties and reliable microscopic simulations are not yet available. Here, we attempt to solve this problem by using a coarse-grained model of membrane proteins, which includes an explicit description of the membrane, the electrolytes, and the electrodes. The model evaluates the gating charges and the electrode potentials (c.f. measured voltage) upon charge transfer within the protein. The accuracy of the model is evaluated by a comparison of measured voltage changes associated with electron and proton transfer in bacterial photosynthetic reaction centers to those calculated using our coarse-grained model. The calculations reproduce the experimental observations and thus indicate that the method is of general use. Interestingly, it is found that charge-separation processes with different spatial directions (but the same distance perpendicular to the membrane) can give similar observed voltage changes, which indicates that caution should be exercised when using simplified interpretation of the relationship between charge displacement and voltage changes.
}, keywords = {bacterial reaction center, electrogenicity, membrane potential, proton/electron transfer}, issn = {0027-8424}, doi = {10.1073/pnas.1411573111}, author = {Kim, Ilsoo and Chakrabarty, Suman and Brzezinski, Peter and Warshel, Arieh} } @article { ISI:000346168600001, title = {Modification of crystal anisotropy and enhancement of magnetic moment of Co-doped SnO2 thin films annealed under magnetic field}, journal = {Nanoscale Research Letters}, volume = {9}, year = {2014}, month = {NOV}, pages = {635}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Co-doped SnO2 thin films were grown by sputtering technique on SiO2/Si(001) substrates at room temperature, and then, thermal treatments with and without an applied magnetic field (H-TT) were performed in vacuum at 600 degrees C for 20 min. H-TT was applied parallel and perpendicular to the substrate surface. Magnetic M(H) measurements reveal the coexistence of a strong antiferromagnetic (AFM) signal and a ferromagnetic (FM) component. The AFM component has a N,el temperature higher than room temperature, the spin axis lies parallel to the substrate surface, and the highest magnetic moment m =7 mu(B)/Co at. is obtained when H-TT is applied parallel to the substrate surface. Our results show an enhancement of FM moment per Co+2 from 0.06 to 0.42 mu(B)/Co at. for the sample on which H-TT was applied perpendicular to the surface. The FM order is attributed to the coupling of Co+2 ions through electrons trapped at the site of oxygen vacancies, as described by the bound magnetic polaron model. Our results suggest that FM order is aligned along [101] direction of Co-doped SnO2 nanocrystals, which is proposed to be the easy magnetization axis.
}, keywords = {Antiferromagnetism, Crystal anisotropy, Diluted magnetic oxide, Ferromagnetism, Magnetic anisotropy, Magnetic moment, Spin axis, thin film}, issn = {1556-276X}, doi = {10.1186/1556-276X-9-635}, author = {Loya-Mancilla, Sagrario M. and Poddar, Pankaj and Das, Raja and Ponce, Hilda E. Esparza and Templeton-Olivares, Ivan L. and Solis-Canto, Oscar O. and Ornelas-Gutierrez, Carlos E. and Espinosa-Magaa, Francisco and Olive-Mendez, Sion F.} } @article { ISI:000337974900017, title = {Modulation of reaction kinetics for the tuneable synthesis of gold nanoparticles and quantum clusters: application of gold quantum clusters as {\textquoteleft}{\textquoteleft}turn-off{\textquoteright}{\textquoteright} sensing probe for Sn4+ ions}, journal = {ChemPlusChem}, volume = {79}, number = {1}, year = {2014}, month = {JAN}, pages = {134-142}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The syntheses of gold nanoparticles (Au NPs) and gold quantum clusters (Au QCs) that employ cefadroxil (CFX; an antibiotic) as both reducing and capping agents are reported. The HAuCl4/CFX concentration, temperature, and pH are crucial factors in the modulation of the nucleation and growth kinetics of the reaction, and consequently, in guiding the size and morphology of as-synthesized Au NPs. Interesting results are observed if the reaction is performed under different pH conditions. TEM analysis of the Au NPs synthesized at pH 6 shows an average particle size of approximately 2 nm along with a relatively smaller population of bigger NPs (up to 6 nm). The Au QCs were isolated by high-speed centrifugation and showed fluorescence at lambda approximate to 460 nm. Furthermore, the as-synthesized Au QCs were applied as sensor for Sn4+ ions on the basis of an aggregation-induced fluorescence quenching mechanism. These Au QCs offer acceptable sensitivity, high selectivity, and a limit of detection of approximately 10 mm for the determination of Sn4+ ions.
}, issn = {2192-6506}, doi = {10.1002/cplu.201300319}, author = {Khandelwal, Puneet and Singh, Dheeraj K. and Sadhu, Subha and Poddar, Pankaj} } @article { ISI:000333567300064, title = {MOF-derived crumpled-sheet-assembled perforated carbon cuboids as highly effective cathode active materials for ultra-high energy density Li-ion hybrid electrochemical capacitors (Li-HECs)}, journal = {Nanoscale}, volume = {6}, number = {8}, year = {2014}, month = {FEB}, pages = {4387-4394}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Lithium ion hybrid capacitors (Li-HECs) have attracted significant attention for use in next generation advanced energy storage technologies to satisfy the demand of both high power density as well as energy density. Herein we demonstrate the use of very high surface area 3D carbon cuboids synthesized from a metal-organic framework (MOF) as a cathode material with Li4Ti5O12 as the anode for high performance Li-HECs. The energy density of the cell is similar to 65 W h kg(-1) which is significantly higher than that achievable with commercially available activated carbon (similar to 36 W h kg(-1)) and a symmetric supercapacitor based on the same MOF-derived carbon (MOF-DC similar to 20 W h kg(-1)). The MOF-DC/Li4Ti5O12 Li-HEC assembly also shows good cyclic performance with similar to 82\% of the initial value (similar to 25 W h kg(-1)) retained after 10 000 galvanostatic cycles under high rate cyclic conditions. This result clearly indicates that MOF-DC is a very promising candidate for future P-HEVs in a Li-HEC configuration.
}, issn = {2040-3364}, doi = {10.1039/c4nr00025k}, author = {Banerjee, Abhik and Upadhyay, Kush Kumar and Puthusseri, Dhanya and Aravindan, Vanchiappan and Madhavi, Srinivasan and Ogale, Satishchandra} } @article { ISI:000338283000052, title = {Molecular cloning and characterization of genistein 4{\textquoteright}-O-glucoside specific glycosyltransferase from Bacopa monniera}, journal = {Molecular Biology Reports}, volume = {41}, number = {7}, year = {2014}, month = {JUL}, pages = {4675-4688}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Health related benefits of isoflavones such as genistein are well known. Glycosylation of genistein yields different glycosides like genistein 7-O-glycoside (genistin) and genistein 4{\textquoteright}-O-glycoside (sophoricoside). This is the first report on isolation, cloning and functional characterization of a glycosyltransferase specific for genistein 4{\textquoteright}-O-glucoside from Bacopa monniera, an important Indian medicinal herb. The glycosyltransferase from B. monniera (UGT74W1) showed 49 \% identity at amino acid level with the glycosyltransferases from Lycium barbarum. The UGT74W1 sequence contained all the conserved motifs present in plant glycosyltransferases. UGT74W1 was cloned in pET-30b (+) expression vector and transformed into E. coli. The molecular mass of over expressed protein was found to be around 52 kDa. Functional characterization of the enzyme was performed using different substrates. Product analysis was done using LC-MS and HPLC, which confirmed its specificity for genistein 4{\textquoteright}-O-glucoside. Immuno-localization studies of the UGT74W1 showed its localization in the vascular bundle. Spatio-temporal expression studies under normal and stressed conditions were also performed. The control B. monniera plant showed maximum expression of UGT74W1 in leaves followed by roots and stem. Salicylic acid treatment causes almost tenfold increase in UGT74W1 expression in roots, while leaves and stem showed decrease in expression. Since salicylic acid is generated at the time of injury or wound caused by pathogens, this increase in UGT74W1 expression under salicylic acid stress might point towards its role in defense mechanism.
}, keywords = {Bacopa monniera, Expression analysis, Glycosyltransferase, Immuno-localization, Plant secondary product glycosyltransferase motif}, issn = {0301-4851}, doi = {10.1007/s11033-014-3338-8}, author = {Ruby and Kumar, R. J. Santosh and Vishwakarma, Rishi K. and Singh, Somesh and Khan, Bashir Mohammad} } @article { ISI:000346656700045, title = {Molecular Insights into the dynamics of pharmacogenetically important N-terminal variants of the human beta(2)-adrenergic receptor}, journal = {Plos Computational Biology}, volume = {10}, number = {12}, year = {2014}, month = {DEC}, pages = {e1004006}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
The human beta(2)-adrenergic receptor (beta(2)AR), a member of the G-protein coupled receptor (GPCR) family, is expressed in bronchial smooth muscle cells. Upon activation by agonists, beta(2)AR causes bronchodilation and relief in asthma patients. The N-terminal polymorphism of beta(2)AR at the 16th position, Arg16Gly, has warranted a lot of attention since it is linked to variations in response to albuterol (agonist) treatment. Although the beta(2)AR is one of the well-studied GPCRs, the N-terminus which harbors this mutation, is absent in all available experimental structures. The goal of this work was to study the molecular level differences between the N-terminal variants using structural modeling and atomistic molecular dynamics simulations. Our simulations reveal that the N-terminal region of the Arg variant shows greater dynamics than the Gly variant, leading to differential placement. Further, the position and dynamics of the N-terminal region, further, affects the ligand binding-site accessibility. Interestingly, long-range effects are also seen at the ligand binding site, which is marginally larger in the Gly as compared to the Arg variant resulting in the preferential docking of albuterol to the Gly variant. This study thus reveals key differences between the variants providing a molecular framework towards understanding the variable drug response in asthma patients.
}, issn = {1553-734X}, doi = {10.1371/journal.pcbi.1004006}, author = {Shahane, Ganesh and Parsania, Chirag and Sengupta, Durba and Joshi, Manali} } @article { ISI:000342687200060, title = {Molecular investigations of protriptyline as a multi-target directed ligand in alzheimer{\textquoteright}s disease}, journal = {Plos One}, volume = {9}, number = {8}, year = {2014}, month = {AUG}, pages = {e105196}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Alzheimer{\textquoteright}s disease (AD) is a complex neurodegenerative disorder involving multiple cellular and molecular processes. The discovery of drug molecules capable of targeting multiple factors involved in AD pathogenesis would greatly facilitate in improving therapeutic strategies. The repositioning of existing non-toxic drugs could dramatically reduce the time and costs involved in developmental and clinical trial stages. In this study, preliminary screening of 140 FDA approved nervous system drugs by docking suggested the viability of the tricyclic group of antidepressants against three major AD targets, viz. Acetylcholinesterase (AChE), beta-secretase (BACE-1), and amyloid beta (A beta) aggregation, with one member, protriptyline, showing highest inhibitory activity. Detailed biophysical assays, together with isothermal calorimetry, fluorescence quenching experiments, kinetic studies and atomic force microscopy established the strong inhibitory activity of protriptyline against all three major targets. The molecular basis of inhibition was supported with comprehensive molecular dynamics simulations. Further, the drug inhibited glycation induced amyloid aggregation, another important causal factor in AD progression. This study has led to the discovery of protriptyline as a potent multi target directed ligand and established its viability as a promising candidate for AD treatment.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0105196}, author = {Bansode, Sneha B. and Jana, Asis K. and Batkulwar, Kedar B. and Warkad, Shrikant D. and Joshi, Rakesh S. and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article { ISI:000347596700001, title = {Molecular recognition pattern of cytotoxic alkaloid vinblastine with multiple targets}, journal = {Journal of Molecular Graphics \& Modelling}, volume = {54}, year = {2014}, month = {NOV}, pages = {1-9}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Vinblastine (VLB), a cytotoxic alkaloid is used extensively against various cancer types and the crystal structure of its tubulin complex is already known. Multitarget affinity of vinblastine has been investigated and the nature of binding with biological receptors namely, duplex DNA and Human serum albumin (HSA) has been compared to the binding characteristics of its known complex with natural high affinity receptor tubulin using molecular docking and QM-MM calculations. VLB is found to interact with DNA as well as HSA protein, though, with weaker affinity as compared to tubulin. Analysis of various docked complexes revealed that the H-bonds and cation-pi bonds do not have significant contribution to the binding interactions and despite its large size, VLB remains in relaxed conformation and fits in the hydrophobic regions on the receptors. (C) 2014 Elsevier Inc. All rights reserved.
}, keywords = {Drug-DNA interactions, Drug-protein binding, Human serum albumin, Molecular docking, Multitarget affinity, QM-MM calculation, Vinblastine}, issn = {1093-3263}, doi = {10.1016/j.jmgm.2014.09.001}, author = {Pandya, Prateek and Agarwal, Lokesh Kr and Gupta, Neelima and Pal, Sourav} } @article { ISI:000331157500011, title = {Molecular structures and biological evaluation of 2-chloro-3-(n-alkylamino)-1,4-napthoquinone derivatives as potent antifungal agents}, journal = {Journal of Molecular Structure}, volume = {1059}, year = {2014}, month = {FEB}, pages = {68-74}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Derivatives of 2-chloro-3-(n-alkylamino)-1,4-naphthoquinone (1-alkyl: methyl; L-1, ethyl; L-2, propyl; L-3 and butyl; L-4) have been synthesized and characterized by elemental analysis, FT-IR, H-1 NMR, UV-visible spectroscopy, LC-MS and single crystal X-ray diffraction studies. Antifungal activity of L-1 to L-4 has been evaluated against Candida tropicalis, Candida albicans and Cladosporium herbarum. The intramolecular hydrogen bonding affects the N-H vibrational frequency in L-2 (3273 cm(-1)). The single crystal X-ray structure reveal that L-1 and L-3 crystallizes in triclinic P-1, whereas L-2 crystallizes in orthorhombic Pca2(1), space group. An extensive intra and intermolecular hydrogen bonding interactions were observed in L-1 to L-3 which leads to molecular association. Intramolecular N-H center dot center dot center dot O hydrogen bonding were observed in L-1 to L-3. Moreover pi-pi stacking interactions were observed between the quinonoid rings of L-1 and L-3, however no such interactions were observed in L-2. An electrochemical study showed molecular association of L-1 to L-4 in DMSO solution. Compounds L-1 to L-4 were found to be potent antifungal agents against all the three strains, especially against C. tropicalis. Amongst these promising antifungal candidates, L-1 showed better activity compared to the clinically administered antifungal drug Amphotericin B and Nitrofurantoin with MIC = 1.25 mu g ml(-1) and MIC = 0.025 mu g ml(-1) respectively against C. albicans. Structure and activity relationship (SAR) study suggest a LogP value of similar to 2.0 and the cyclic voltammetry studies reveals additional chemical processes for L-1, which exhibits maximum activity against all fungal strains. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Aminonaphthoquinone, Antifungal activity, LogP, Naphthosemiquinone, pi-pi stacking}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2013.11.029}, author = {Pawar, Omkar and Patekar, Ashwini and Khan, Ayesha A. and Kathawate, Laxmi and Haram, Santosh K. and Markad, Ganesh and Puranik, Vedavati G. and Salunke-Gawali, Sunita} } @article { ISI:000344470100036, title = {Molybdenum(VI) dioxo complexes for the epoxidation of allylic alcohols and olefins}, journal = {Journal of Organometallic Chemistry}, volume = {772}, year = {2014}, month = {DEC}, pages = {271-279}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Several molybdenum(VI) dioxo complexes have been investigated as catalyst precursors for allylic alcohol epoxidation using mainly hydrogen peroxide as oxidant. All catalysts proved to be efficient and selective for the epoxidation of allylic alcohols provided the olefins were rather electron rich. Indeed, electron poor substrates could be converted selectively into the corresponding unsaturated aldehydes. A chiral dioxomolybdenum complex based on an optically pure tridentate Schiff base ligand was synthesized and characterized. Though that complex provided an efficient epoxidation catalyst for allylic alcohols and olefins, no chiral induction was observed. During the X-ray diffraction analysis, the cooling at 100 K led to the appearance of super-lattice reflections on diffraction patterns reflecting an ordering of the structure. Instead of one organometallic species observed at 298 K, three similar complexes of the same molecular structure could be observed in the asymmetric unit at 100 K. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Allylic alcohol, epoxidation, Molybdenum, Oxidation, Peroxide}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2014.09.029}, author = {Pandhare, Swati L. and Jadhao, Rajesh R. and Puranik, Vedavati G. and Joshi, Pranaya V. and Capet, Frederic and Dongare, Mohan K. and Shubhangi B. Umbarkar and Michon, Christophe and Agbossou-Niedercorn, Francine} } @article { ISI:000330018400013, title = {Monitoring cellular uptake and cytotoxicity of copper(II) complex using a fluorescent anthracene thiosemicarbazone ligand}, journal = {Bioconjugate Chemistry}, volume = {25}, number = {1}, year = {2014}, month = {JAN}, pages = {102-114}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The thiosemicarbazone derivative of anthracene (ATSC, anthracene thiosemicarbazone I) and its copper(II) complex (CuATSC, 2) were synthesized and characterized by spectroscopic, electrochemical, and crystallographic techniques. Interaction of 1 and 2 with calf thymus (CT) DNA was explored using absorption and emission spectral methods, and viscosity measurements reveal a partial-intercalation binding mode. Their protein binding ability was monitored by the quenching of tryptophan emission using bovine serum albumin (BSA) as a model protein. Furthermore, their cellular uptake, in vitro cytotoxicity testing on the HeLa cell line, and flow cytometric analysis were carried out to ascertain the mode of cell death. Cell cycle analysis indicated that 1 and 2 cause cell cycle arrest in sub-G1 phase.
}, issn = {1043-1802}, doi = {10.1021/bc400385d}, author = {Kate, Anup N. and Kumbhar, Anupa A. and Khan, Ayesha A. and Joshi, Pranaya V. and Puranik, Vedavati G.} } @article { ISI:000332059600003, title = {Morphological effects of G-quadruplex stabilization using a small molecule in zebrafish}, journal = {Biochemistry}, volume = {53}, number = {7}, year = {2014}, month = {FEB}, pages = {1117-1124}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Zebrafish (Danio rerio) embryos are transparent and advantageous for studying early developmental changes due to ex utero development, making them an appropriate model for studying gene expression changes as a result of molecular targeting. Zebrafish embryos were injected with a previously reported G-quadruplex selective ligand, and the phenotypic changes were recorded. We report marked discrepancies in the development of intersegmental vessels. In silico analysis determined that the putative G-quadruplex motif occur in the upstream promoter region of the Cdh5 (N-cadherin) gene. A real-time polymerase chain reaction-based investigation indicated that in zebrafish, CDH-2 (ZN-cad) was significantly downregulated in the ligand-treated embryos. Biophysical characterization of the interaction of the ligand with the G-quadruplex motif found in this promoter yielded strong binding and stabilization of the G-quadruplex with this ligand. Hence, we report for the first time the phenotypic impact of G-quadruplex targeting with a ligand in a vertebrate organism. This study has unveiled not only G-quadruplex targeting in non-human animal species but also the potential that G-quadruplexes can provide a ready tool for understanding the phenotypic effects of targeting certain important genes involved in differentiation and developmental processes in a living eukaryotic organism.
}, issn = {0006-2960}, doi = {10.1021/bi4009352}, author = {Agarwal, Tani and Lalwani, Mukesh Kumar and Kumar, Santosh and Roy, Saumya and Chakraborty, Tushar Kanti and Sivasubbu, Sridhar and Maiti, Souvik} } @article { ISI:000209665200041, title = {MoS2 nanoparticles and h-BN nanosheets from direct exfoliation of bulk powder: one-step synthesis method}, journal = {Materials Research Express}, volume = {1}, number = {3}, year = {2014}, month = {SEP}, pages = {035038}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
We report facile synthesis of MoS2 nanoparticles and h-BN nanosheets using ultrasonication method in suitable solvents such as N-Methyl-2-pyrrolidone and ethylene glycol, respectively. The average size of MoS2 nanoparticles observed from TEM analysis were 4-5 nm and about a few hundreds of nm for h-BN nanosheets. Raman spectroscopy carried out on nanoparticle samples confirms the formation of MoS2 nanoparticles and h-BN nanosheets. UV-vis absorption and photoluminescence (PL) measurements carried out on the products show typical absorption and luminescence spectra of MoS2 and h-BN. Further, we attempted to decorate gold nanoparticles on nanosheets of MoS2 and h-BN which show subsequent change in Raman spectra due to charge transfer interaction.
}, keywords = {h-BN, MoS2, Nanoparticles, nanosheets, Optical properties}, issn = {2053-1591}, doi = {10.1088/2053-1591/1/3/035038}, author = {Thripuranthaka, M. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000337652700002, title = {Mucor hiemalis mediated 14 alpha-hydroxylation on steroids: In vivo and in vitro investigations of 14 alpha-hydroxylase activity}, journal = {Steroids}, volume = {85}, year = {2014}, month = {JUL}, pages = {6-12}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Transformation of testosterone and progesterone into synthetically challenging 14 alpha-hydroxy derivatives was achieved by using fungal strain Mucor hiemalis. Prolonged incubation led to the formation of corresponding 6 beta/7 alpha,14 alpha-dihydroxy metabolites. The position and stereochemistry of newly introduced hydroxyl group was determined by detailed spectroscopic analyses. The time course experiment indicated that fungal strain initiated transformation by hydroxylation at 14 alpha-position followed by at 6 beta- or 7 alpha-positions. Studies using cell-free extracts suggest that the 14 alpha-hydroxylase activity is NADPH dependent and belongs to the cytochrome P450 family. (C) 2014 Elsevier Inc. All rights reserved.
}, keywords = {14 alpha-Hydroxylase, Biotransformation, Mucor hiemalis, Progesterone, Testosterone}, issn = {0039-128X}, doi = {10.1016/j.steroids.2014.04.002}, author = {Kolet, Swati P. and Haldar, Saikat and Niloferjahan, Siddiqui and Thulasiram, Hirekodathakallu V.} } @article { ISI:000341359000029, title = {Multicomponent reactions involving phosphines, arynes and aldehydes}, journal = {Chemical Communications}, volume = {50}, number = {77}, year = {2014}, month = {AUG}, pages = {11389-11392}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Although nucleophilic phosphine-catalysis is a powerful tool for the construction of various carbocycles and heterocycles, the reactions in which phosphines are incorporated into the final product are rare, and the reports on phosphine addition to highly electrophilic arynes are scarce. Herein, we report the phosphine triggered multicomponent reaction of arynes and aldehydes, which takes place via the formal [3+2] cycloaddition of an initially generated 1,3-phosphonium zwitterion from phosphines and arynes with aldehydes. The reaction resulted in the formation of a diverse range of stable pentacovalent phosphoranes in good yields based on the benzooxaphosphole system.
}, issn = {1359-7345}, doi = {10.1039/c4cc05420b}, author = {Bhunia, Anup and Kaicharla, Trinadh and Porwal, Digvijay and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000335924100043, title = {Multifunctional and robust covalent organic framework-nanoparticle hybrids}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {21}, year = {2014}, month = {MAR}, pages = {7944-7952}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Highly dispersed Pd(0) nanoparticles were successfully immobilized into a stable, crystalline and porous covalent organic framework (COF), TpPa-1, by a solution infiltration method using NABH(4) as a reducing agent. High resolution and dark field TEM images confirmed the uniform loading of the Pd(0) nanoparticles into the TpPa-1 matrix without aggregation. This hybrid material exhibited excellent catalytic activity towards the Cu free Sonogashira, Heck and sequential one pot Heck-Sonogashira cross-coupling reactions under basic conditions, and with superior performance compared to commercially available Pd supported on activated charcoal (i.e., 1, 5 and 10 wt\%). Additionally, the precursor Pd(II)-doped COF also displayed competitive catalytic activity for the intramolecular oxidative biaryl synthesis under acidic conditions. Both catalysts were found to be highly stable under the reaction conditions showing negligible metal leaching, non-sintering behavior, and good recyclability. To the best of our knowledge, the organic support used in this work, TpPa-1, constitutes the first COF matrix that can hold both Pd(0) nanoparticles and Pd(II) complex without aggregation for catalytic purposes under both highly acidic and basic conditions.
}, issn = {2050-7488}, doi = {10.1039/c4ta00284a}, author = {Pachfule, Pradip and Panda, Manas K. and Kandambeth, Sharath and Shivaprasad, S. M. and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000347693200012, title = {Multiple novel promoter-architectures revealed by decoding the hidden heterogeneity within the genome}, journal = {Nucleic Acids Research}, volume = {42}, number = {20}, year = {2014}, month = {NOV}, pages = {12388-12403}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {
An important question in biology is how different promoter-architectures contribute to the diversity in regulation of transcription initiation. A step forward has been the production of genome-wide maps of transcription start sites (TSSs) using high-throughput sequencing. However, the subsequent step of characterizing promoters and their functions is still largely done on the basis of previously established promoter-elements like the TATA-box in eukaryotes or the -10 box in bacteria. Unfortunately, a majority of promoters and their activities cannot be explained by these few elements. Traditional motif discovery methods that identify novel elements also fail here, because TSS neighborhoods are often highly heterogeneous containing no overrepresented motif. We present a new, organism-independent method that explicitly models this heterogeneity while unraveling different promoter-architectures. For example, in five bacteria, we detect the presence of a pyrimidine preceding the TSS under very specific circumstances. In tuberculosis, we show for the first time that the spacing between the bacterial 10-motif and TSS is utilized by the pathogen for dynamic gene-regulation. In eukaryotes, we identify several new elements that are important for development. Identified promoter-architectures show differential patterns of evolution, chromatin structure and TSS spread, suggesting distinct regulatory functions. This work highlights the importance of characterizing heterogeneity within high-throughput genomic data rather than analyzing average patterns of nucleotide composition.
}, issn = {0305-1048}, doi = {10.1093/nar/gku924}, author = {Narlikar, Leelavati} } @article { ISI:000328260200011, title = {Multi-walled CNT-induced phase behaviour of poly(vinylidene fluoride) and its electro-mechanical properties}, journal = {Journal of Materials Science}, volume = {49}, number = {1}, year = {2014}, month = {JAN}, pages = {103-113}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
A simple two-step process was used to disperse acid functionalizedmulti-walled carbon nanotubes (CNTs) in poly(vinylidene fluoride) (PVDF). While the neat solvent-cast PVDF showed coexistence of alpha- and beta-phases; the composite films exhibited only beta-phase crystals. Further studies on the crystalline behaviour, using differential scanning calorimetry and small-angle X-ray scattering techniques showed an increase in the percentage of crystalline phase with CNT. The network formed by CNTs in the matrix reduced the macroscopic electrical resistivity of composite films. The dielectric constant increased with CNT loading. Further, these composites were investigated for its electromagnetic wave absorbance (EWA) and strain sensing properties. The EWA properties were studied in the X-band (6-12 GHz) region. A maximum of similar to 37 dB reflectivity loss at similar to 9.0 GHz was obtained in a similar to 25 mu m thick PVDF film containing only 0.25 wt\% of functionalized CNT. Preliminary studies showed a systematic change in electrical resistance by the application of dynamic bending strain in nanocomposite film. The film also showed a significant improvement in mechanical stiffness owing to efficient stress transfer from matrix to filler, the property desirable for a good strain sensor. In view of the unique combination of EWA and electro-mechanical properties, the nanocomposite films are expected to serve as a multifunctional material for strain sensing in health monitoring as well as in radar absorption.
}, issn = {0022-2461}, doi = {10.1007/s10853-013-7681-2}, author = {Rath, Sangram K. and Dubey, Sachin and Kumar, G. Sudheer and Kumar, Sanjay and Patra, A. K. and Bahadur, Jitendra and Singh, A. K. and Harikrishnan, G. and Patro, T. Umasankar} } @article { ISI:000344880800003, title = {Myo-Inositol 1,3-acetals as early intermediates during the synthesis of cyclitol derivatives}, journal = {Carbohydrate Research}, volume = {399}, year = {2014}, month = {NOV}, pages = {8-14}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Synthetic sequences starting from commercially available myo-inositol necessarily involve protection-deprotection strategies of its six hydroxyl groups. Several strategies have been developed/attempted over the last several decades leading to the synthesis of naturally occurring phosphoinositols, their analogs, and cyclitol derivatives. Of late, myo-inositol 1,3-acetals, which can be obtained by the reductive cleavage of myo-inositol orthoesters have emerged as early intermediates for the synthesis of phosphorylated and other inositol derivatives. This mini-review is an attempt to illustrate the economy and convenience of using myo-inositol 1,3-acetals as early intermediates during syntheses from myo-inositol. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Acetal, Cyclitol, Inositol, Protecting group, Signal transduction}, issn = {0008-6215}, doi = {10.1016/j.carres.2014.08.010}, author = {Gurale, Bharat P. and Sardessai, Richa S. and Shashidhar, Mysore S.} } @article { ISI:000332061300050, title = {Nanocomposite of silver and thermo-associating polymer by a green route: a potential soft-hard material for controlled drug release}, journal = {RSC Advances}, volume = {4}, number = {20}, year = {2014}, month = {JAN}, pages = {10261-10268}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Major research efforts are continuously being made to look for alternative, environment friendly green chemicals for the synthesis of nanoparticles in place of conventional and hazardous reducing agents such as sodium borohydride and hydrazine. We report here on the synthesis and characterization of AgNPs using a thermo-associating polymer namely, carboxymethyl guar grafted poly(ethylene oxide-co-propylene oxide) [CMG-g-PEPO]. The polymer acts as both reducing agent as well as stabilizing/capping agent. The formation of AgNPs with polymer was confirmed by UV/Vis spectroscopy and the TEM images indicated the size of nanoparticles to be in the range of 10-20 nm. We also demonstrated the use of these nanoparticles in the controlled release of doxorubicin hydrochloride (Dox), an anticancer drug. The binding of Dox onto the polymer and AgNPs was investigated by XPS and Raman spectroscopy which indicates that a charge-transfer mechanism is operative between the Dox and polymer holding both the entities together. The first synthesis of AgNPs using non-toxic thermo-associating polymer and subsequent release of Dox with body temperature (37 degrees C) as a trigger is the highlight of the present work.
}, issn = {2046-2069}, doi = {10.1039/c3ra45022h}, author = {Gupta, Nivika R. and Bhagavatula L. V. Prasad and Gopinath, Chinnakonda S. and Badiger, Manohar V.} } @article { ISI:000330820500057, title = {Nanocrystalline Ce doped CoFe2O4 as an acetone gas sensor}, journal = {Ceramics International}, volume = {40}, number = {1, A}, year = {2014}, month = {JAN}, pages = {447-452}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Nanocrystalline CoFe2-xCexO4 ferrites (x=0, 0.04, 0.08) were synthesized by using the inexpensive, simple and eco-friendly molten-salt (M-S) method. Effects of Ce doping on the structural, morphological and gas sensing properties of the CoFe2O4 ferrite were investigated. X-ray diffraction (XRD) analysis revealed the formation of spinel CoFe2O4. Transmission electron microscopy (TEM) investigations showed that the synthesized ferrite is made up of very fine spherical nanoparticles. Furthermore, the gas response of nanocrystalline ferrite materials was investigated in the temperature range of 200-450 degrees C toward the reducing gases like liquefied petroleum gas (LPG), acetone, ethanol and ammonia. The sensor response was found to be sensitive and selective toward acetone as compared to other reducing gases. It is observed that the addition of Ce (4 wt\%) strongly influenced the response and the operating temperature of the sensor material and thus can serve as acetone-sensing sensors. (C) 2013 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
}, keywords = {CoFe2O4, Ferrite, Gas sensor, Molten-salt method, TEM}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2013.06.021}, author = {Khandekar, M. S. and Tarwal, N. L. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000330814200017, title = {Nanodiamond particles/reduced graphene oxide composites as efficient supercapacitor electrodes}, journal = {Carbon}, volume = {68}, year = {2014}, month = {MAR}, pages = {175-184}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The paper reports on the preparation of reduced graphene oxide (rGO) modified with nanodiamond particles composites by a simple solution phase and their use as efficient electrode in electrochemical supercapacitors. The technique relies on heating aqueous solutions of graphene oxide (GO) and nanodiamond particles (NDs) at different ratios at 100 degrees C for 48 h. The morphological properties, chemical composition and electrochemical behavior of the resulting rGO/NDs nanocomposites were investigated using UV/vis spectrometry, Fourier transform infrared (FTIR) spectroscopy, Raman spectroscopy, transmission electron microscopy (TEM) and electrochemical means. The electrochemical performance, including the capacitive behavior of the rGO/NDs composites were investigated by cyclic voltammetry and galvanostatic charge/discharge curves at 1 and 2 A g(-1) in 1 M H2SO4. The rGO/ND matrix with 10/1 ratio displayed the best performance with a specific capacitance of 186 +/- 10 F g (-1) and excellent cycling stability. (C) 2013 Elsevier Ltd. All rights reserved.
}, issn = {0008-6223}, doi = {10.1016/j.carbon.2013.10.077}, author = {Wang, Qi and Plylahan, Nareerat and Shelke, Manjusha V. and Devarapalli, Rami Reddy and Li, Musen and Subramanian, Palaniappan and Djenizian, Thierry and Boukherroub, Rabah and Szunerits, Sabine} } @article { ISI:000337123100037, title = {Nanophase CulnS(2) nanosheets/CuS composite grown by the SILAR method leads to high performance as a counter electrode in dye sensitized solar cells}, journal = {RSC Advances}, volume = {4}, number = {42}, year = {2014}, month = {MAY}, pages = {21989-21996}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Single phase CulnS(2) (CIS) nanosheets are synthesized on TiO2 coated FTO by the simple technique of Successive Ionic Layer Adsorption Reaction (SILAR) followed by annealing at 500 degrees C. Annealing at a lower temperature of 250 degrees C is found to yield CuS nanoparticles in addition to the CIS phase. Both single phase CIS and the CuS/CIS nanocomposite were examined as counter electrodes for a dye-sensitized solar cell (DSSC). The CIS-CuS composite is found to have a synergistic effect on the catalytic performance toward the reduction of tri-iodide, yielding a power conversion efficiency of 6.3\% as compared to pristine CIS (5\%) or CuS (3.5\%). The possible reasons behind the high performance of the composite are elucidated using cyclic voltammetry (CV) measurements and electrochemical impedance spectroscopy (EIS).
}, issn = {2046-2069}, doi = {10.1039/c4ra01740d}, author = {Bhosale, Reshma K. and Agarkar, Shruti A. and Agrawal, Ishita and Naphade, Rounak A. and Ogale, Satishchandra} } @article { ISI:000333203900024, title = {Nanoporous graphene by quantum dots removal from graphene and its conversion to a potential oxygen reduction electrocatalyst via nitrogen doping}, journal = {Energy \& Environmental Science}, volume = {7}, number = {3}, year = {2014}, month = {MAR}, pages = {1059-1067}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple way to produce an efficient metal-free oxygen reduction electrocatalyst from graphene by generating nanopores in the matrix and subsequently establishing nitrogen-doped active sites along the pore openings is demonstrated. Well-structured nanoporous graphene (pGr) and photoluminescent graphene quantum dots (GQDs) could be simultaneously generated by a chemically assisted oxidative treatment of graphene. The process helped to knock out small pieces of Gr through epoxide formation, which subsequently resulted in the generation of GQD and pGr simultaneously. A longer oxidation time increased the quantity of GQDs and also resulted in a higher photoluminescent (PL) quantum yield. The PL quantum yield of GQD formed after 72 h of the oxidative treatment (GQD-72) was 15.8\%, which is greater than the previous reported values. The TEM images showed matching sizes for GQDs and the pores present in pGr, implying that the pores are generated by the removal of GQDs from graphene during the oxidative treatment. Since pore openings are expected to give higher levels of unsaturation and defect sites in the system and are thus being treated as fertile regions for heteroatom doping, pGr-72 was further subjected to nitrogen (NpGr-72). NpGr-72 displayed excellent activity towards the electrochemical oxygen reduction reaction (ORR) compared to nitrogen-doped non-porous graphene (NGr) and many other reported nitrogen-doped carbon materials. A distinct 50 mV gain in the overpotential and 2.5 times increment in the kinetic current density (j(k)) have been achieved in the case of NpGr-72 compared to NGr. Interestingly, unlike NGr, NpGr-72 effectively reduced the oxygen molecule with a greater involvement of the preferred four-electron pathway. Additionally, the overpotential difference of NpGr-72 with respect to 20 wt\% Pt/C is only 60 mV. Additionally, in a single cell evaluation under anion exchange membrane fuel cell (AEMFC) conditions, NpGr-72 exhibited a maximum power density of 27 mW cm(-2), which is significantly higher than the corresponding value of 10 mW cm(-2) obtained for NGr. Thus, the overall enhancement in the performance characteristics of NpGr-72 is attributed to the higher content of nitrogen (7.8 wt\%) and its large proportion of desired chemical environment, which could be established by utilizing the high level of carbon unsaturation around the pore openings.
}, issn = {1754-5692}, doi = {10.1039/c3ee43648a}, author = {Palaniselvam, Thangavelu and Valappil, Manila Ozhukil and Illathvalappil, Rajith and Kurungot, Sreekumar} } @article { ISI:000344978200129, title = {Nanostructured donor-acceptor self assembly with improved photoconductivity}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {21}, year = {2014}, month = {NOV}, pages = {19434-19448}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Nanostructured supramolecular donor-acceptor assemblies were formed when an unsymmetrical N-substituted pyridine functionalized perylenebisimide (UPBI-Py) was complexed with oligo(p-phenylenevinylene) (OPVM-OH) complementarily functionalized with hydroxyl unit and polymerizable methacrylamide unit at the two termini. The resulting supramolecular complex [UPBI-Py (OPVM-OH)](1.0) upon polymerization by irradiation in the presence of photoinitiator formed well-defined supramolecular polymeric nanostructures. Self-assembly studies using fluorescence emission from thin film samples showed that subtle structural changes occurred on the OPV donor moiety following polymerization. The 1:1 supramolecular complex showed red-shifted aggregate emission from both OPV (similar to 500 nm) and PBI (similar to 640 nm) units, whereas the OPV aggregate emission was replaced by intense monomeric emission (similar to 430 nrn) upon polymerizing the methacrylamide units on the OPVM-OH. The bulk structure was studied using wide-angle X-ray diffraction (WXRD). Complex formation resulted in distinct changes in the cell parameters of OPVM-OH. In contrast, a physical mixture of 1 mol each of OPVM-OH and UPBI-Py prepared by mixing the powdered solid samples together showed only a combination of reflections from both parent molecules. Thin film morphology of the 1:1 molecular complex as well as the supramolecular polymer complex showed uniform lamellar structures in the domain range \<10 rim. The donor-acceptor supramolecular complex [UPBI-Py (OPVM-OH)](1.0) exhibited space charge limited current (SCLC) with a bulk mobility estimate of an order of magnitude higher accompanied by a higher photoconductivity yield compared to the pristine UPBI-Py. This is a very versatile method to obtain spatially defined organization of n and p-type semiconductor materials based on suitably functionalized donor and acceptor molecules resulting in improved photocurrent response using self-assembly.
}, keywords = {donor-acceptor, hydrogen bonding, oligo(p-phenylenevinylene), Perylenebisimide, photoconductivity, supramolecular polymeric nanostructures}, issn = {1944-8244}, doi = {10.1021/am5055542}, author = {Saibal, B. and Ashar, A. Z. and Devi, R. Nandini and Narayan, K. S. and Asha, S. K.} } @article {42587, title = {Naphthalene diimide copolymers with oligo(p-phenylenevinylene) and benzobisoxazole for balanced ambipolar charge transport}, journal = {Macromolecules}, volume = {47}, year = {2014}, month = {MAR}, pages = {2296{\textendash}2305}, abstract = {
A series of alternating and random donor (D){\textendash}acceptor (A) copolymers based on naphthalene diimide (NDI) as the acceptor and oligo(p-phenylenevinylene) (OPV) or benzobisoxazole (BBO) as the strong and weak donor, respectively, were designed and synthesized by Suzuki coupling and Horner{\textendash}Wadsworth{\textendash}Emmons polymerization. The effect of the varying donor strength of OPV and BBO on the photophysical, electrochemical, and semiconducting properties of the polymers was investigated. Absorption and emission spectra recorded for dilute chloroform solution and thin film showed increased intramolecular charge transfer for NDI-alt-OPV polymer compared to NDI-alt-BBO polymer. Cyclic voltammetry studies along with DFT (density functional theory) studies at the B3LYP/6-31g* level gave insight into the energy level (HOMO/LUMO) and molecular orientation of donor and acceptor along the polymer backbone. NDI-alt-OPV polymer exhibited rigid coplanar structure with extended π-conjugation which induced backbone planarity and crystallinity to the polymer. The inherent poor solubility of the NDI-alt-BBO prevented further device characterization of this polymer. Random copolymer having maximum 30\% incorporation of BBO comonomer in NDI-r-OPV/BBO was found to be soluble for further characterization. Compared to NDI-alt-OPV, lowering of both energy levels LUMO (\~{}0.2 eV) and HOMO (\~{}0.5 eV) was observed for both NDI-alt-BBO and the NDI-r-OPV/BBO. Bottom gate{\textendash}top contact organic field effect transistors (OFETs) of NDI-alt-OPV exhibited balanced ambipolar charge transport with average electron and hole mobility of 3.09 {\texttimes} 10{\textendash}3 cm2 V{\textendash}1 s{\textendash}1 and 2.1 {\texttimes} 10{\textendash}3 cm2 V{\textendash}1 s{\textendash}1, respectively, whereas the random copolymer incorporating both OPV and BBO units NDI-r-OPV/BBO showed dominant n-type charge transport with moderate 4 {\texttimes} 10{\textendash}4 cm2 V{\textendash}1 s{\textendash}1 average electron mobility. The present work thus highlights the structure{\textendash}property relationship and the electronic tunability required in this class of NDI-based polymers to produce ambipolar transistors.
}, doi = {10.1021/ma5001145}, author = {Kolhe, Nagesh B. and Ashar, A. Z. and Narayan, K. S. and Asha, S. K.} } @article { ISI:000343819200016, title = {Nature of the active site in ziegler-natta olefin polymerization catalysis systems - a computational investigation}, journal = {European Journal of Inorganic Chemistry}, number = {29}, year = {2014}, month = {OCT}, pages = {5063-5076}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Pull quantum chemical calculations with density functional theory (DET) show that a principal role of donors in Ziegler-Nana (ZN) oh-din polymerization catalysts is to coordinate to the metal center at the active sites on the MgCl2 surface. Thereby, the behavior of the catalyst is modulated to favor insertion over termination and, thus, polymerization occurs. This is shown to be true for a range of different donors. The calculations indicate that active sites that feature anionic chloride ligands at the titanium center (the conventional model for the active site) would lead to lower-molecular-weight riolymers. If an -OC2H5 group were present instead of a chloride ligand, the active site would much more effectively produce long chain polymers. Therefore, the current work provides important new insights into the nature of the ZN polymerization process.
}, keywords = {Alkene polymerization, Density functional calculations, heterogeneous catalysis, Insertion, Polymers}, issn = {1434-1948}, doi = {10.1002/ejic.201402180}, author = {Kumawat, Jugal and Gupta, Virendra Kumar and Vanka, Kumar} } @article { ISI:000346643600072, title = {Negative infrared photocurrent response in layered WS2/reduced graphene oxide hybrids}, journal = {Applied Physics Letters}, volume = {105}, number = {24}, year = {2014}, month = {DEC}, pages = {243502}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
We report high performance IR photocurrent response of two-dimensional hybrid materials consisting of layered WS2 nanosheets and reduced graphene oxide (RGO). Comparative photocurrent response studies of WS2 nanosheets, RGO, and WS2/RGO hybrids were carried out by performing current-voltage (I-V) and time-dependent current measurements with a laser excitation source having a wavelength of 808 nm. The experimental investigations indicate that WS2/RGO hybrids show negative photocurrent response, whereas WS2 and RGO show positive photocurrent response. The negative photocurrent response of the WS2/RGO hybrids is explained using a band alignment diagram and attributed to a charge transfer mechanism between WS2 and RGO. This analysis is further corroborated by first-principles density functional calculations. The fabricated device based on WS2/RGO hybrids shows a photosensitivity R-lambda of about 6 AW(-1) and a quantum efficiency eta of similar to 924\%, which demonstrates high sensitivity of the hybrid material towards IR detection. WS2/RGO hybrids are therefore promising candidates for potential applications in optoelectronic circuits and low cost, high performance, and reliable photodetectors. (C) 2014 AIP Publishing LLC.
}, issn = {0003-6951}, doi = {10.1063/1.4903780}, author = {Ratha, Satyajit and Simbeck, Adam J. and Late, Dattatray J. and Nayak, Saroj K. and Rout, Chandra Sekhar} } @article { ISI:000340768000019, title = {New approach of blending polymeric ionic liquid with polybenzimidazole (PBI) for enhancing physical and electrochemical properties}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {35}, year = {2014}, month = {JUN}, pages = {14449-14458}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Although the use of ionic liquids (IL) in polymeric membranes is known to elevate the electrochemical performance for proton exchange membrane-based fuel cells (PEMFC), they suffer from drawbacks such as IL drain and lowering in mechanical properties that lead to deterioration in PEMFC performance. To mitigate these issues, we report, for the first time, the use of polymeric ionic liquid (PIL), namely, poly(diallyl dimethyl ammonium trifluoride methane sulphonate) (P[DADMA][TFMS]) to be blended with polybenzimidazole (PBI-I) as a membrane material for PEMFC. PBI-I and (P[DADMA][TFMS]) were chosen because they form miscible blends and are suitable for acid doping as a matrix, which can eventually be used as proton conductor. The structure, miscibility and inter-polymer interactions were studied by infrared (IR) spectroscopy and differential scanning calorimetry (DSC). The increase in proton conduction in comparison to the PBI membranes was observed due to the presence of ionic groups of PILs in blend membranes. With the increase in PIL content, the proton conductivity of the composite membranes gradually increased from 0.04 S cm(-1) for PBI to 0.07 S cm(-1) for the blend membrane at 150 degrees C. The MEAs were fabricated with PBI-I, PBI-PIL15, PBI-PIL25 and PBI-PIL35. Corresponding single cells were successfully tested at temperatures of 160 degrees C. The maximum power density and current density obtained were 515 mW cm(-2) and 1632 mA cm(-2), respectively, for PBI-PIL25-based MEA.
}, issn = {2050-7488}, doi = {10.1039/c4ta02184c}, author = {Rewar, Anita S. and Chaudhari, Harshal D. and Illathvalappil, Rajith and Sreekumar, K. and Kharul, Ulhas K.} } @article { ISI:000336700700003, title = {New enantioselective synthesis of (S)-2-ethoxy-3-(4-hydroxyphenyl)Propanoic acid esters (EEHP and IEHP), useful pharmaceutical intermediates of PPAR agonists}, journal = {Tetrahedron Letters}, volume = {55}, number = {21}, year = {2014}, month = {MAY}, pages = {3223-3226}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A new enantioselective synthetic route to the title compounds has been developed in a simple and practical way with high enantiopurity using commercially available starting material. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {EEHP, Epoxide, IEHP, PPAR agonists}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.04.021}, author = {Mujahid, Mohammad and Kunte, S. S. and Muthukrishnan, Murugan} } @article { ISI:000338109600007, title = {New enantioselective synthesis of the anti-parkinson agent safinamide}, journal = {Synthesis-Stuttgart}, volume = {46}, number = {13}, year = {2014}, month = {JUL}, pages = {1751-1756}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
An alternative highly enantioselective synthesis of the anti-Parkinson agent safinamide from simple, commercially available, starting materials is described. The protocol might also be useful in the synthesis of structural variants of safinamide, such as ralfinamide or related analogues
}, keywords = {Amides, medicinal chemistry, safinamide, stereoselective synthesis}, issn = {0039-7881}, doi = {10.1055/s-0033-1341104}, author = {Reddi, Anjaneyulu and Mujahid, Mohammad and Sasikumar, Murugesan and Muthukrishnan, Murugan} } @article { ISI:000328952500034, title = {New insights into small molecule activation by acyclic silylenes: a computational investigation}, journal = {Dalton Transactions}, volume = {43}, number = {5}, year = {2014}, month = {NOV}, pages = {2194-2201}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Recently synthesized acyclic silylenes have the potential to rival transition metal complexes in performing single site small molecule activation, which is significant because of the need to find cheap and green alternatives to transition metal complexes for this important class of reactions. However, the current computational study, a full quantum chemical investigation with density functional theory, demonstrates that undesired side reactions would be competitive in these systems during small molecule activation. The current investigation, in addition to shedding light on this problem, also provides solutions on how the undesired side reactions during small molecule activation can be avoided.
}, issn = {1477-9226}, doi = {10.1039/c3dt52817k}, author = {Kuriakose, Nishamol and Vanka, Kumar} } @article { ISI:000343847700007, title = {New organocatalyst derived from abietic acid and 4-hydroxy-L-proline for direct asymmetric aldol reactions in aqueous media}, journal = {Tetrahedron-Asymmetry}, volume = {25}, number = {18-19}, year = {2014}, month = {OCT}, pages = {1292-1297}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Enantioselective direct aldol reactions were carried out in aqueous media with a new organocatalyst that was derived from 4-hydroxy-L-proline and abietic acid via a simple and convenient synthetic protocol with a high overall yield (75\%). The new organocatalyst was used for aldol reactions between substituted aromatic aldehydes and various ketones in the presence of several acid additives in aqueous media. The corresponding aldol products were obtained in high isolated yields (up to 99\%) and with high anti-diastereoselectivities (up to 94\%) and enantioselectivities (\>99.9\%). The catalyst loading can be efficiently reduced to only 1 mol \%. The aldol reactions were found to be extremely fast which is very unusual in organocatalyzed reactions in water. (C) 2014 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2014.07.012}, author = {Bhowmick, Sudipto and Kunte, Sunita S. and Bhowmick, Kartick C.} } @article { ISI:000334485400001, title = {New role for penicillin acylases: degradation of acyl homoserine lactone quorum sensing signals by Kluyvera citrophila penicillin G acylase}, journal = {Enzyme and Microbial Technology }, volume = {56}, year = {2014}, month = {MAR}, pages = {1-7}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
Use of penicillin acylases for the production of semi-synthetic penicillins is well-known. Escherichia coli penicillin G acylase (EcPGA) has been extensively used for this purpose; however, Kluyvera citrophila penicillin G acylase (KcPGA) is assumed to be a better substitute, owing to its increased resilience to extreme pH conditions and ease of immobilization. In the present article we report a new dimension for the amidase activity of KcPGA by demonstrating its ability to cleave bacterial quorum sensing signal molecules, acyl homoserine lactones (AHL) with acyl chain length of 6-8 with or without oxo-substitution at third carbon position. Initial evidence of AHL degrading capability of KcPGA was obtained using CV026 based bioassay method. Kinetic studies performed at pH 8.0 and 50 degrees C revealed 3-oxo-C6 HSL to be the best substrate for the enzyme with V-max and K-m values of 21.37+0.85 mM/h/mg of protein and 0.1+0.01 mM, respectively. C6 HSL was found to be the second best substrate with V-max. and K-m value of 10.06+0.27 mM/h/mg of protein and 0.28+0.02 mM, respectively. Molecular modeling and docking studies performed on the active site of the enzyme support these findings by showing the fitting of AHLs perfectly within the hydrophobic pocket of the enzyme active site. (c) 2013 Elsevier Inc. All rights reserved.
}, keywords = {Acyl homoserine lactones, CV026, KcPGA, Quorum quenching}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2013.12.010}, author = {Mukherji, Ruchira and Varshney, Nishant Kumar and Panigrahi, Priyabrata and Suresh, C. G. and Prabhune, Asmita} } @article { ISI:000341282100018, title = {New Ru(II)/Os(II)-polypyridyl complexes for coupling to TiO2 surfaces through acetylacetone functionality and studies on interfacial electron-transfer dynamics}, journal = {Dalton Transactions}, volume = {43}, number = {36}, year = {2014}, month = {SEP}, pages = {13601-13611}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
New Ru(II)- and Os(II)-polypyridyl complexes have been synthesized with pendant acetylacetone (acac) functionality for anchoring on nanoparticulate TiO2 surfaces with a goal of developing an alternate sensitizer that could be utilized for designing an efficient dye-sensitized solar cell (DSSC). Time-resolved transient absorption spectroscopic studies in the femtosecond time domain have been carried out. The charge recombination rates are observed to be very slow, compared with those for strongly coupled dye molecules having catechol as the anchoring functionality. The results of such studies reveal that electron-injection rates from the metal complex-based LUMO to the conduction band of TiO2 are faster than one would expect for an analogous complex in which the chromophoric core and the anchoring moiety are separated with multiple saturated C-C linkages. Such an observation is rationalized based on computational studies, and a relatively smaller spatial distance between the dye LUMO and the TiO2 surface accounted for this. Results of this study are compared with those for analogous complexes having a gem-dicarboxy group as the anchoring functionality for covalent binding to the TiO2 surface to compare the role of binding functionalities on electron-transfer dynamics.
}, issn = {1477-9226}, doi = {10.1039/c4dt01571a}, author = {Banerjee, Tanmay and Biswas, Abul Kalam and Sahu, Tuhin Subhra and Ganguly, Bishwajit and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000340537000016, title = {New yeast isolate Pichia caribbica synthesizes xylolipid biosurfactant with enhanced functionality}, journal = {European Journal of Lipid Science and Technology}, volume = {116}, number = {8}, year = {2014}, month = {AUG}, pages = {1070-1079}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Sophorolipids (SL) belong to a class of glycolipidic biosurfactants suitable for a wide range of applications. The structural diversity in SL gives rise to variation in physicochemical and biological properties. To achieve the less explored head group diversity in sophorolipid structure, a new xylose fermenting yeast Pichia caribbica has been employed for biosurfactant production. The media and fermentation parameters have been optimized to achieve maximum yield of 7.48 g/L. The physicochemical properties of the xylolipid biosurfactant have been assessed. It reduced the surface tension of distilled water from 70 to 35.9 mN/m with the low critical micellar concentration (CMC) 1.0 mg/L as compared to typical SL (reported CMC range 40-100 mg/L). Structural characterization was done using FTIR and HR-MS to identify the structure. 17-L-[(beta-D-xylopyranosyl)-oxy]-Delta 9-heptadecanoic acid correlated to m/z 415 majorly constituted the product. Control experiment was performed in which glucose was provided as the hydrophilic carbon. This product was also subjected to HR-MS analysis to determine its chemical nature and found to be different from xylolipid. Presence of xylose as head group was anticipated to give altered physicochemical and biological activities and indeed a low CMC value and better inhibitory action was demonstrated against Staphylococcus aureus. Practical applications: Sophorolipids produced by microbial sources have several advantageous properties over commercial petroleum-based surfactants including biodegradability, environmentally friendly nature, and low toxicity. Here, we have attempted to modify the hydrophilic head group by incorporating xylose in place of glucose. This molecule will also behave differently in response to different stimuli. Stimuli-responsive surfactants are a class of compounds with applications in stabilization of emulsions, suspensions or foams, drug encapsulation and delivery, hard-surface cleaning, personal care applications.
}, keywords = {Antibacterial action, Critical micelle concentration, Pichia caribbica, Sophorolipid, Xylolipid}, issn = {1438-7697}, doi = {10.1002/ejlt.201300363}, author = {Joshi-Navare, Kasturi and Singh, Pradeep Kumar and Prabhune, Asmita} } @article { ISI:000344459400014, title = {N-Heterocyclic carbene-catalyzed enantioselective synthesis of functionalized cyclopentenes via alpha,beta-unsaturated acyl azoliums}, journal = {Chemical Communications}, volume = {50}, number = {93}, year = {2014}, month = {OCT}, pages = {14539-14542}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Highly enantioselective NHC-organocatalyzed synthesis of functionalized cyclopentenes proceeding via alpha,beta-unsaturated acyl azolium intermediates is reported. The organocascade reaction of modified enals with malonic ester derivatives having a gamma-benzoyl group involves the Michael-intramolecular aldol-beta-lactonization-decarboxylation sequence to deliver cyclopentenes in good yields and excellent ee values.
}, issn = {1359-7345}, doi = {10.1039/c4cc07433e}, author = {Mondal, Santigopal and Yetra, Santhivardhana Reddy and Patra, Atanu and Kunte, Sunita S. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000330799900054, title = {Nickel cobalt sulfide nanoneedle array as an effective alternative to pt as a counter electrode in dye sensitized solar cells}, journal = {RSC Advances}, volume = {4}, number = {16}, year = {2014}, month = {NOV}, pages = {8289-8294}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Self supported nickel cobalt sulfide (NCS) nanoneedles are directly formed on FTO glass substrates by sulphurization of nickel cobalt oxide nanoneedles (grown by a hydrothermal method) in the presence of a hydrogen sulfide and argon gas mixture. These NCS nanoneedles when used as a counter electrode for dye sensitized solar cells (DSSCs) show efficient catalytic activity towards the I-/I-3(-) redox couple, and lead to an impressive efficiency of 6.9\%, compared with 7.7\% obtained with a Pt electrode in similarly constructed devices.
}, issn = {2046-2069}, doi = {10.1039/c3ra45981k}, author = {Banerjee, Abhik and Upadhyay, Kush Kumar and Bhatnagar, Sumit and Tathavadekar, Mukta and Bansode, Umesh P. and Agarkar, Shruti A. and Ogale, Satishchandra B.} } @article { ISI:000341363200040, title = {Nickel ferrite nanoparticles-hydrogen peroxide: a green catalyst-oxidant combination in chemoselective oxidation of thiols to disulfides and sulfides to sulfoxides}, journal = {RSC Advances}, volume = {4}, number = {69}, year = {2014}, month = {JUL}, pages = {36702-36707}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Nickel ferrite nanoparticles-hydrogen peroxide has been demonstrated for the first time as a green and efficient catalyst-oxidant combination in the chemoselective oxidation of thiols to disulfides and sulfides to sulfoxides. This magnetically separable catalyst was found to be reusable for five consecutive runs without appreciable change in the activity, as well as composition of the catalyst. The mechanism for the oxidation of thiols and sulfides has also been proposed.
}, issn = {2046-2069}, doi = {10.1039/c4ra04095c}, author = {Kulkarni, Aparna M. and Desai, Uday V. and Pandit, Kapil S. and Kulkarni, Makarand A. and Wadgaonkar, Prakash P.} } @article { ISI:000344997500118, title = {Nitrogen-doped graphene interpenetrated 3D Ni-nanocages: efficient and stable water-to-dioxygen electrocatalysts}, journal = {Nanoscale}, volume = {6}, number = {21}, year = {2014}, month = {SEP}, pages = {13179-13187}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein, we report the synthesis of a nitrogen-doped graphene (NGr) interpenetrated 3D Ni-nanocage (Ni-NGr) electrocatalyst by a simple water-in-oil (w/o) emulsion technique for oxidation of water to dioxygen. Correlation of adsorption of NGr and subsequent interpenetration through the specific surface plane of nickel particles as well as the concomitant interaction of N and C with Ni in the nano-regime has been investigated. Apart from the benefits of the synergistic interactions between Ni, N, and C, the overall integrity of the structure and its intra-molecular connectivity within the framework help in achieving better oxygen evolution characteristics at a significantly reduced overpotential. The engineered Ni-NGr nanocage displays a substantially low overpotential of similar to 290 mV at a practical current density of 20 mA cm(-2) in 0.1 M KOH. In comparison, NGr and Ni-particles as separate entities give overpotentials of similar to 570 and similar to 370 mV under similar conditions. Moreover, the long term stability of Ni-NGr was investigated by anodic potential cycling for 500 cycles and an 8.5\% increment in the overpotential at 20 mA cm(-2) was observed. Additionally, a chronoamperometric test was performed for 15 h at 20 mA cm(-2), which highlights the better sustainability of Ni-NGr under the actual operating conditions. Finally, the quantitative estimation of evolved oxygen was monitored by gas chromatography and was found to be 70 mmol h(-1) g(-1) of oxygen, which is constant in the second cycle as well.
}, issn = {2040-3364}, doi = {10.1039/c4nr03578j}, author = {Dhavale, Vishal M. and Gaikwad, Sachin S. and George, Leena and Devi, R. Nandini and Kurungot, Sreekumar} } @article { ISI:000331819800001, title = {Non-coding RNA interact to regulate neuronal development and function}, journal = {Frontiers in Cellular Neuroscience}, volume = {8}, year = {2014}, month = {FEB}, pages = {47}, publisher = {FRONTIERS RESEARCH FOUNDATION}, address = {PO BOX 110, LAUSANNE, 1015, SWITZERLAND}, abstract = {
The human brain is one of the most complex biological systems, and the cognitive abilities have greatly expanded compared to invertebrates without much expansion in the number of protein coding genes. This suggests that gene regulation plays a very important role in the development and function of nervous system, by acting at multiple levels such as transcription and translation. In this article we discuss the regulatory roles of three classes of non-protein coding RNAs (ncRNAs)-microRNAs (miRNAs), piwi-interacting RNA (piRNAs) and long-non-coding RNA (lncRNA), in the process of neurogenesis and nervous function including control of synaptic plasticity and potential roles in neurodegenerative diseases. miRNAs are involved in diverse processes including neurogenesis where they channelize the cellular physiology toward neuronal differentiation. miRNAs can also indirectly influence neurogenesis by regulating the proliferation and self renewal of neural stem cells and are dysregulated in several neurodegenerative diseases. miRNAs are also known to regulate synaptic plasticity and are usually found to be co-expressed with their targets. The dynamics of gene regulation is thus dependent on the local architecture of the gene regulatory network (GRN) around the miRNA and its targets. piRNAs had been classically known to regulate transposons in the germ cells. However, piRNAs have been, recently, found to be expressed in the brain and possibly function by imparting epigenetic changes by DNA methylation. piRNAs are known to be maternally inherited and we assume that they may play a role in early development. We also explore the possible function of piRNAs in regulating the expansion of transposons in the brain. Brain is known to express several lncRNA but functional roles in brain development are attributed to a few lncRNA while functions of most of the them remain unknown. We review the roles of some known lncRNA and explore the other possible functions of lncRNAs including their interaction with miRNAs.
}, keywords = {gene expression regulation, lncRNA, miRNA, network-motifs, piRNA}, issn = {1662-5102}, doi = {10.3389/fncel.2014.00047}, author = {Iyengar, Bharat R. and Choudhary, Ashwani and Sarangdhar, Mayuresh A. and Venkatesh, K. V. and Gadgil, Chetan J. and Pillai, Beena} } @article { ISI:000329101700009, title = {Nonisothermal analysis of extrusion film casting process using molecular constitutive equations}, journal = {Rheologica Acta}, volume = {53}, number = {1}, year = {2014}, month = {JAN}, pages = {85-101}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Extrusion film casting (EFC) is a commercially important process that is used to produce several thousand tons of polymer films and coatings. In a recent work, we demonstrated the influence of polymer chain architecture on the extent of necking in an isothermal film casting operation (Pol et al., J Rheol 57:559-583, 2013). In the present research, we have explored experimentally and theoretically the effects of long-chain branching on the extent of necking during nonisothermal film casting conditions. Polyethylenes of linear and long-chain branched architectures were used for experimental studies. The EFC process was analyzed using the 1-D flow model of Silagy et al. (Polym Eng Sci 36:2614-2625, 1996) in which the energy equation was introduced to model nonisothermal effects, and two multimode constitutive equations, namely the {\textquoteleft}{\textquoteleft}extended pom-pom{\textquoteright}{\textquoteright} (XPP, for long-chain branched polymer melts) equation and the {\textquoteleft}{\textquoteleft}Rolie-Poly stretch version{\textquoteright}{\textquoteright} (RP-S, for linear polymer melts) equation, were incorporated to account for the effects of polymer chain architecture. We show that the model does a better job of capturing the qualitative features of the experimental data, thereby elucidating the role of chain architecture and nonisothermal conditions on the extent of necking.
}, keywords = {Branched, Extrusion, Film, Linear, Necking, Nonisothermal, Polyethylene}, issn = {0035-4511}, doi = {10.1007/s00397-013-0739-x}, author = {Pol, Harshawardhan and Banik, Sourya and Azad, Lal Busher and Thete, Sumeet Suresh and Doshi, Pankaj and Lele, Ashish K.} } @article { ISI:000341287200025, title = {Nonstoichiometric calcium pyrophosphate: a highly efficient and selective catalyst for dehydration of lactic acid to acrylic acid}, journal = {RSC Advances}, volume = {4}, number = {63}, year = {2014}, month = {JUL}, pages = {33319-33326}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Calcium phosphate catalysts were prepared by co-precipitation method using calcium nitrate and mixtures of ammonium and different sodium phosphates as calcium and phosphate precursors, respectively. Depending on the phosphate precursor, the pH of the synthesis mixture changed during the catalyst precipitation. The catalyst characterisation by XRD and ICP revealed the formation of a calcium pyrophosphate structure with varying Ca/P ratio from 1.02 to 0.76 which could be correlated to the different pH of the synthesis solutions. Vapour phase dehydration of lactic acid to acrylic acid was carried out using these calcium pyrophosphate catalysts. Non-stoichiometric calcium pyrophosphate catalyst with Ca/P ratio 0.76 was found to be the most efficient catalyst among the synthesized series with 100\% lactic acid conversion and 78\% acrylic acid selectivity at 375 degrees C. The higher selectivity for acrylic acid has been correlated to the increased acidity and reduced basicity of non-stoichiometric calcium pyrophosphate compared to other stoichiometric pyrophosphates. In situ FTIR studies showed the formation of a higher amount of calcium lactate on non-stoichiometric compared to stoichiometric pyrophosphate leading to higher selectivity for acrylic acid.
}, issn = {2046-2069}, doi = {10.1039/c4ra06429a}, author = {Ghantani, Vidhya C. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000345641400039, title = {Non-uniform early structural response of globular proteins to cold denaturing conditions: a case study with Yfh1}, journal = {Journal of Chemical Physics}, volume = {141}, number = {20}, year = {2014}, month = {NOV}, pages = {205103}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
The mechanism of cold denaturation in proteins is often incompletely understood due to limitations in accessing the denatured states at extremely low temperatures. Using atomistic molecular dynamics simulations, we have compared early (nanosecond timescale) structural and solvation properties of yeast frataxin (Yfh1) at its temperature of maximum stability, 292 K (T-s), and the experimentally observed temperature of complete unfolding, 268 K (T-c). Within the simulated timescales, discernible {\textquoteleft}{\textquoteleft}global{\textquoteright}{\textquoteright} level structural loss at T-c is correlated with a distinct increase in surface hydration. However, the hydration and the unfolding events do not occur uniformly over the entire protein surface, but are sensitive to local structural propensity and hydrophobicity. Calculated infrared absorption spectra in the amide-I region of the whole protein show a distinct red shift at T-c in comparison to T-s. Domain specific calculations of IR spectra indicate that the red shift primarily arises from the beta strands. This is commensurate with a marked increase in solvent accessible surface area per residue for the beta-sheets at T-c. Detailed analyses of structure and dynamics of hydration water around the hydrophobic residues of the beta-sheets show a more bulk water like behavior at T-c due to preferential disruption of the hydrophobic effects around these domains. Our results indicate that in this protein, the surface exposed beta-sheet domains are more susceptible to cold denaturing conditions, in qualitative agreement with solution NMR experimental results. (C) 2014 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4901897}, author = {Chatterjee, Prathit and Bagchi, Sayan and Sengupta, Neelanjana} } @article { ISI:000334895800011, title = {Novel catalysts for valorization of biomass to value-added chemicals and fuels}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {403-413}, publisher = {Catalysis Soc India}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Key furan compounds such as 5-hydroxymethylfurfural (HMF), 2,5-furandicarboxylic acid (FDCA) and 2,5-dimethylfuran (DMF) were synthesized from renewable feedstocks. Dehydration of fructose was carried out in biphasic conditions employing several solid acid catalysts by targeting selective formation of HMF. Its selectivity is linearly dependent on total acidity clearly revealing that lower acidity favours selective formation of HMF. Oxidation and hydrogenolysis of HMF has been explored using 2 wt\% Ru-K-OMS-2. The catalysts used for each transformation were subjected to detailed characterization using XRD, BET surface area, temperature-programmed desorption and transmission electron microscopy. The effect of various reaction parameters was also investigated for obtaining high yields of desired chemical intermediates. High FDCA yields of 93.4 mol\% and 66 mol\% were achieved in alkaline and base-free conditions, respectively. The 2 wt\% Ru-K-OMS-2 is a versatile catalyst as it also catalyses HMF hydrogenolysis giving 33 mol\% of DMF. Thus, utility of various novel materials as catalysts has been demonstrated in the multistep transformations of hexoses to furan-based fuels and chemicals.
}, keywords = {2, 5-dimethylfuran, 5-furan dicarboxylic acid, 5-hydroxymethyl furfural, dehydration, fructose}, issn = {0974-3626}, author = {Lucas, Nishita and Kanna, Narasimha Rao and Nagpure, Atul S. and Kokate, Ganesh and Chilukuri, Satyanarayana V.} } @article { ISI:000341083400001, title = {Novel, concise and efficient protocol for non-natural piperidine compounds}, journal = {RSC Advances}, volume = {4}, number = {62}, year = {2014}, month = {JUL}, pages = {32594-32598}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Formal synthesis of L-altro-1-deoxynojirimycin, cis-3-hydroxypipecolic acid along with synthesis of (R)-piperidinol and a conceptually different advanced intermediate for non-natural piperidine alkaloids is reported from cis-butene-1,4-diol. The key reactions involved are Johnson-Claisen rearrangement, Sharpless asymmetric dihydroxylation, reductive lactamization and novel regioselective elimination.
}, issn = {2046-2069}, doi = {10.1039/c4ra04558k}, author = {Chavan, Subhash P. and Dumare, Nilesh B. and Pawar, Kailash P.} } @article { ISI:000340513400023, title = {Novel fluorescence probe for estimation of cysteine/histidine in human blood plasma and recognition of endogenous cysteine in live Hct116 cells}, journal = {Chemical Communications}, volume = {50}, number = {69}, year = {2014}, month = {SEP}, pages = {9899-9902}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new Cu(II)-complex is used as a {\textquoteleft}{\textquoteleft}Turn-On{\textquoteright}{\textquoteright} luminescence probe for specific detection of endogenous Cys in live Hct116 cells and Cys present in human blood plasma without any interference from other amino acids, especially GSH and Hcy. Difference in the mechanistic pathway for Cys and His recognition is discussed.
}, issn = {1359-7345}, doi = {10.1039/c4cc04214j}, author = {Reddy, Upendar G. and Agarwalla, Hridesh and Taye, Nandaraj and Ghorai, Suvankar and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000330425000001, title = {Novel glycolipids synthesized using plant essential oils and their application in quorum sensing inhibition and as antibiofilm agents}, journal = {Scientific World Journal}, year = {2014}, month = {JAN}, pages = {890709}, publisher = {HINDAWI PUBLISHING CORP}, address = {410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USA}, abstract = {
Essential oils (EOs) form an important part of traditional medicine so their anti-microbial and, in the recent past, antiquorum sensing activity has been well studied. However it is likely that due to their hydrophobic nature and reduced solubility in aqueous environments full potential of their activity cannot be realized. hence it is only rational to formulate a process to make these molecules more polar in nature. The present paper reports synthesis of sophorolipids using 12 different essential oils as substrates, thus providing surfactant-like properties to these EOs. The synthesis protocol makes the use of Candida bombicola ATCC 22214 as producer organism. The production process required 7 days of incubation at 28 degrees C and 180 rpm. Preliminary characterization of the synthesized essential oil sophorolipids (EOSLs) was performed using thin layer chromatography (TLC) and Fourier transform infrared spectroscopy (FTIR). Additionally, essential oils that were incapable of mediating quorum sensing inhibition (QSI) on their own became potent quorum sensing inhibitors upon conversion into their corresponding EOSLs. Antibiofilm potential of these EOSLs was also demonstrated using V. cholerae as test organism. Use of essential oils as substrates for glycolipid synthesis has not been attempted previously, and hence this is the first report.
}, issn = {1537-744X}, doi = {10.1155/2014/890709}, author = {Mukherji, Ruchira and Prabhune, Asmita} } @article { ISI:000340975900102, title = {Novel precursors for anatase nanorods and their application in DSSCs}, journal = {Materials Chemistry and Physics}, volume = {147}, number = {3}, year = {2014}, month = {OCT}, pages = {1110-1116}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Syntheses for the formation of two new precursors for TiO2 nanorods: titanium propanediolate and titanium erythritolate, have been detailed. These precursors have a rod like morphology and have been found to have higher thermal stability than commercially available precursors. The conversion of the precursors to anatase phase of TiO2 involves a simple heating protocol and importantly the morphology is conserved. The resulting anatase nanorods have been characterised and evaluated as photoanodes in dye sensitized solar cells (DSSCs). Overall device efficiencies of 3.2\% and 2.3\% were achieved when anatase rods (obtained from titanium propanediolate and titanium erythritolate respectively) were used. These values are higher than the 1.1\% efficiency obtained from the control device (made with spherical anatase nanoparticles). It is found that forming ordered 1-D rods leads to enhanced charge transport and charge collection at the electrode along with a commensurate decrease in charge recombination. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Inorganic compounds, Nanostructures, Non-crystalline materials, Sol-gel growth}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2014.06.065}, author = {Mishra, Biswajit and Agarkar, Shruti A. and Khushalani, Deepa} } @article { ISI:000348013600024, title = {Novel synthesis and characterization of CuO nanomaterials: biological applications}, journal = {Chinese Chemical Letters}, volume = {25}, number = {12}, year = {2014}, month = {DEC}, pages = {1615-1619}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
CuO nanoparticles were synthesized at a relatively low temperature (80 degrees C) for 2 h using polyethylene glycol-glycerol mixture which acts as a capping agent. A detailed characterization of the synthesized nanomaterials were performed utilizing X-ray diffraction (XRD), infra-red spectroscopy (IR), thermogravimetric analysis (TGA-DTA), transmission electron microscopy (TEM), photoluminescence (PL) by studying its crystalline phase, vibrational mode, thermal analysis, morphology and photoluminescence properties. The effect of annealing on the as-prepared nanoparticles were studied and compared with their corresponding bulk counterpart. The synthesized nanoparticles have been screened for in vitro cytotoxicity (IC50) studies against the human cervical adenocarcinoma cell line (HeLa) using MTT assay methods. The as-prepared nanoparticle inhibits the proliferation of this HeLa cell. The standard disc diffusion method has been used to study the antibacterial activity of the samples against the human pathogenic bacteria Escherichia coli (MTCC 729), Proteus mirabilis (MTCC 425) and Klebsiella pneumoniae subsp. pneumoniae (MTCC 432). The results have been compared with the positive control antibiotic gentamycin. The synthesized nanoparticles would provide a potential alternative to antibiotics for controlling some of the microorganisms causing urolithiasis. (C) 2014 Meitram Niraj Luwang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
}, keywords = {Annealing, Antibacterials, CuO nanoparticles, Cytotoxicity, HeLa cell lines}, issn = {1001-8417}, doi = {10.1016/j.cclet.2014.07.014}, author = {Devi, Ayekpam Bimolini and Moirangthem, Dinesh Singh and Talukdar, Narayan Chandra and Devi, M. Damayanti and Singh, N. Rajen and Luwang, Meitram Niraj} } @article { ISI:000337637100018, title = {NOx reduction at near ambient temperatures and under lean-burn conditions on modified pd surfaces}, journal = {ChemCatChem}, volume = {6}, number = {2}, year = {2014}, month = {FEB}, pages = {531-537}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Palladium surfaces that are modified with O atoms in the subsurface broaden the NO reduction temperature regime up to 325 K with O-2-rich NO+H-2+O-2 compositions. Compared to virgin Pd surfaces, up to 150\% higher deNO(x) catalytic activity was observed with modified Pd surfaces at the reaction maximum. Molecular beam instrument and ambient-pressure photoelectron spectroscopy were employed to follow the kinetic and surface changes. These results open up a possibility to realize the cold-start reduction of NOx (deNO(x)). DeNO(x) activity reported in the literature with supported Pd catalysts after a simple calcination in air compares well with our present observations. Surface modification is likely to demonstrate a high potential for other catalytic reactions at relatively low temperatures.
}, keywords = {heterogeneous catalysis, nitrogen, oxygen, Palladium, surface chemistry}, issn = {1867-3880}, doi = {10.1002/cctc.201301033}, author = {Roy, Kanak and Gopinath, Chinnakonda S.} } @article { ISI:000341513700006, title = {Nucleophilic ring-opening of benzoxazinones by dbu: some observations}, journal = {Synthetic Communications}, volume = {44}, number = {20}, year = {2014}, month = {AUG}, pages = {2955-2960}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
This communication demonstrates the formation of an unusual nucleophilic ring opening of benzoxazinones by 1,8-diazabicycloundec-7-ene (DBU). This observation contradicts the intrinsic feature of a hindered nonnucleophilic base like DBU. Confirmation of the product was achieved via single-crystal X-ray diffraction studies.
}, keywords = {Benzoxazinones, caprolactam, DBU, HATU}, issn = {0039-7911}, doi = {10.1080/00397911.2014.910529}, author = {Baravkar, Sachin B. and Roy, Arup and Gawade, Rupesh L. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000332061900022, title = {Observation of exchange bias below incommensurate antiferromagnetic (ICAFM) to canted A-type antiferromagnetic (cAAFM) transition in nanocrystalline orthorhombic EuMnO3}, journal = {RSC Advances}, volume = {4}, number = {21}, year = {2014}, month = {DEC}, pages = {10614-10618}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Detailed ac and dc magnetic properties of orthorhombic EuMnO3 were studied using a nanocrystalline powder sample. Orthorhombic EuMnO3 nanoparticles of 45 nm average size were synthesised using a hydrothermal method. Zero field cooled (ZFC) and field cooled (FC) magnetisation shows anomalies at similar to 53, 44 and 24 K attributed to paramagnetic (PM) to an incommensurate antiferromagnetic phase (ICAFM), ICAFM to a canted A-type antiferromagnetic order (cAAFM) and spin reorientation transitions, respectively. No indication of a PM to ICAFM transition was observed in either the real or imaginary part of ac magnetisation. The real part of the ac magnetisation curve showed a peak at similar to 24.7 K and anomalies at similar to 46.8 and 21.8 K were observed in the imaginary part of ac magnetisation. Reduction in the width of the thermal hysteresis between the field cooling and heating magnetisation curve was observed with the nanocrystallites (similar to 1 K) compared with the bulk phase (similar to 3 K) EuMnO3. Isothermal magnetisation showed a large value of the exchange bias (2799 Oe at 3 K) below the ICAFM to cAAFM transition temperature.
}, issn = {2046-2069}, doi = {10.1039/c3ra45435e}, author = {Das, Raja and Poddar, Pankaj} } @article { ISI:000341619600016, title = {Observation of the marcus inverted region for bimolecular photoinduced electron-transfer reactions in viscous media}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {36}, year = {2014}, month = {SEP}, pages = {10704-10715}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The general observation of Marcus inverted region (MIR) for bimolecular electron-transfer (ET) reactions in different viscous media, e.g., micelles, reverse micelles, vesicles, ionic liquids, DNA scaffold, etc. has been doubted in some recent publications arguing limitations in SternVolmer (SV) analysis to account for the static and transient stages of quenching in these slow diffusing media. Thus, following a theoretical treatment based on a spherically symmetric diffusion equation coupled with conventional Marcus ET description, it has been suggested that the MIR observed in viscous media arises due to the inadequate consideration of different quenching regimes and also due to the differential excited-state lifetimes of the fluorophores used than a genuine one (J. Am. Chem. Soc. 2012, 134, 11396). However, the overall treatment in this study is severely compromised by setting the minimum solvent reorganization energy (?s) to (lambda) to similar to 0.96 eV while fitting the experimental data, which unambiguously suggests that the inversion in ET rate will never appear in the exergonicity (-Delta G(0)) range of 0.16 to 0.71 eV, as is the case for the studied ET systems. Besides, the applicability of the conventional Marcus ET model (instead of Sumi-Marcus two-dimensional ET model) in such extremely viscous media with exceptionally slow solvent response is highly debatable and perhaps is the main cause of the failure in fitting the experimental data quite satisfactorily. In the present study involving ultrafast ET quenching for coumarin derivatives by dimethylaniline donor in viscous ionic liquid media, we demonstrate clear MIR for the intrinsic ET rates, directly obtained from the ultrafast decay components of 110 ps, a time scale in which diffusion of reactants is negligible and the ET rates are either faster than or, at the most, competitive with the solvent reorganization. The appearance of MIR at ?Delta G(0) similar to-0.5 eV, significantly lower than expected from the lambda(s) value, further substantiate the nonapplicability of conventional ET description but certainly advocate for the applicability of the SumiMarcus two-dimensional ET model in such media. Moreover, no obvious correlation has experimentally been observed between the excited-state lifetimes of the coumarin derivatives and the ET rates for a large number of dyes used in the present study. On the basis of the present results and drawing inferences from reported literatures in viscous media, we conclude that not only is the appearance of MIR very genuine but also the mechanistic model necessary to account the observed facts for the bimolecular ET reactions in a viscous medium is the two-dimensional ET description, which deals with an extremely slow relaxing solvent coordinate and a fast relaxing intramolecular coordinate to describe the ET reactions.
}, issn = {1520-6106}, doi = {10.1021/jp506885r}, author = {Kumbhakar, Manoj and Manna, Arpan and Sayed, Mhejabeen and Kumar, Anil and Pal, Haridas} } @article { ISI:000339540700077, title = {Off-stoichiometric nickel cobaltite nanoparticles: thermal stability, magnetization, and neutron diffraction studies}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {29}, year = {2014}, month = {JUL}, pages = {16246-16254}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In the present investigation, we report a detailed examination of the effect of off-stoichiometry introduced in NiCo2O4 by adding excess cobalt. Thus, we compare and analyze the structural and magnetic properties of the Ni075Co2.25O4 and NiCo2O4 cubic systems. A low temperature combustion method was utilized to synthesize stoichiometric (NiCo2O4) and off-stoichiometric (Ni0.75Co2.25O4) nanoparticles on a large scale. The X-ray diffraction pattern for the sample annealed at high temperature (773 K) shows the presence of a much less intense NiO phase (similar to 2-5\%) in Ni0.75Co2.25O4 as compared to that in the case of NiCo2O4 sample (similar to 15-20\%). The Ni 2p and Co 2p XPS spectra reveal the coexistence of Ni2+, Ni3+, Co2+, and Co3+ species on the surface of both the NiCo2O4 and Ni0.75Co2.23O4 samples in differing proportions. In addition to the basic magnetic characterizations using PPMS, these were also analyzed by neutron diffraction. The off-stoichiometric Ni0.75Co2.25O4 sample shows an interesting magnetic phase conversion from frustrated dipolar system to an enhanced magnetic ordering upon annealing. Local moments on the lattice sites of NiCo2O4 and Ni0.75Co2.25O4 samples are further compared by neutron diffraction confirming stronger ordered moments and enhanced structural and thermal stability for the Ni0.75Co2.25O4 sample.
}, issn = {1932-7447}, doi = {10.1021/jp504538y}, author = {Verma, Seema and Kumar, Amit and Pravarthana, D. and Deshpande, Aparna and Ogale, Satishchandra B. and Yusuf, S. M.} } @article { ISI:000344132400051, title = {Oligomer-salt derived 3D, heavily nitrogen doped, porous carbon for Li-ion hybrid electrochemical capacitors application}, journal = {Carbon}, volume = {80}, year = {2014}, month = {DEC}, pages = {462-471}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
3D high surface area porous carbon is seen to form via self assembly of porous graphene sheets by direct pyrolysis of an oligomer salt tailored for the realization of molecular level activation. The oligomer salt was derived from 4-amino benzoic acid as the monomer by a facile free radical polymerization process. Incorporation of the functional groups (-COONa) eliminate the need for any external activating agents (KOH, ZnCl2, etc.) and also render high degree of sub-nanoscale homogeneity. This oligomer derived carbon (ODC) exhibits efficient performance in non-aqueous charge storage application namely Li-ion hybrid electrochemical capacitor (Li-HEC) owing to its high surface area, 3D interconnectivity and an appropriate pore size distribution. The Li-HEC fabricated with ODC based electrodes delivered a maximum energy density of similar to 63 Wh kg(-1) with spinel L4Ti5O12 as the anode. (C) 2014 Elsevier Ltd. All rights reserved.
}, issn = {0008-6223}, doi = {10.1016/j.carbon.2014.08.086}, author = {Gokhale, Rohan and Aravindan, Vanchiappan and Yadav, Prasad and Jain, Srashti and Phase, Deodatta and Madhavi, Srinivasan and Ogale, Satishchandra} } @article { ISI:000344458100024, title = {One molecule of ionic liquid and tert-alcohol on a polystyrene-support as catalysts for efficient nucleophilic substitution including fluorination}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {45}, year = {2014}, month = {OCT}, pages = {9264-9271}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The tert-alcohol and ionic liquid solvents in one molecule [mim-(OH)-O-t][OMs] was immobilized on polystyrene and reported to be a highly efficient catalyst in aliphatic nucleophilic substitution using alkali metal salts. Herein, we investigated the catalytic activity of a new structurally modified polymer-supported tert-alcohol functionalized imidazolium salt catalyst in nucleophilic substitution of 2-(3-methanesulfonyl-oxypropyoxy) naphthalene as a model substrate with various metal nucleophiles. The tert-alcohol moiety of the ionic liquid with a hexyl chain distance from polystyrene had a better catalytic activity compared to the other resin which lacked an alkyl linker and tert-alcohol moiety. We found that the maximum [mim-(OH)-O-t][OMs] loading had the best catalytic efficacy among the tested polystyrene-based ionic liquids (PSILs) in nucleophilic fluorination. The catalytic efficiency of the PS[him-(OH)-O-t][OMs] as a phase transfer catalyst (PTC) was determined by carrying out various nucleophilic substitutions using the corresponding alkali metal salts from the third to sixth periodic in CH3CN or tert-BuOH media. The scope of this protocol with primary and secondary polar substrates containing many heteroatoms is also reported. This PS [him-(OH)-O-t][OMs] catalyst not only enhances the reactivity of alkali metal salts and reduces the formation of by-products but also affords high yield with easy isolation.
}, issn = {1477-0520}, doi = {10.1039/c4ob01781a}, author = {Shinde, Sandip S. and Patil, Sunil N.} } @article { ISI:000338748400051, title = {One-pot synthesis of 5-hydroxymethylfurfural by cellulose hydrolysis over highly active bimodal micro/mesoporous H-ZSM-5 catalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {7}, year = {2014}, month = {JUL}, pages = {1928-1932}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Direct synthesis of 5-hydroxymethylfurfural (5-HMF), a useful renewable biofuel and biochemical, was systematically studied by hydrolysis of microcrystalline cellulose over Bimodal-HZ-5 zeolite. Bimodal-HZ-5 zeolite obtained by post-synthesis modification of H-ZSM-5 with desilication was found to be a potential heterogeneous catalyst with 67\% cellulose conversion and 46\% yield of 5-HMF. Bimodal-HZ-5 was observed to be reusable for four cycles, without any loss in activity. The detailed optimization of process parameters and catalyst reusability are also presented. The present study opens a new avenue for the renewable one-pot synthesis of 5-HMF, a valuable product.
}, keywords = {5-Hydroxymethylfurfural, Biomodal-HZ-5, glucose, Hydrolysis, Microcrystalline cellulose}, issn = {2168-0485}, doi = {10.1021/sc500270z}, author = {Nandiwale, Kakasaheb Y. and Galande, Nitish D. and Thakur, Pratika and Sawant, Sanjay D. and Zambre, Vishal P. and Bokade, Vijay V.} } @article { ISI:000328606500014, title = {One-pot synthesis of cyclic carbonates from aldehydes, sulfur ylide, and CO2}, journal = {Synlett}, volume = {25}, number = {1}, year = {2014}, month = {JAN}, pages = {97-101}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Treatment of aldehydes with sulfur ylide (CH2=SOMe2 or CH2=SMe2), in the presence of CO2 (1 atm) bubbled sequentially under mild conditions, produces cyclic carbonates in preparative yields. Sodium iodide formed in situ promotes the reaction between epoxide as intermediate and CO2 at ambient conditions, thus constituting a powerful metal-free synthesis of organic cyclic carbonates directly from aldehydes.
}, keywords = {Carbon dioxide, cyclic carbonates, cyclization, epoxides, Insertion}, issn = {0936-5214}, doi = {10.1055/s-0033-1340072}, author = {Aher, Ravindra D. and Kumar, B. Senthil and Sudalai, Arumugam} } @article { ISI:000344382800045, title = {One-pot synthesis of ultrasmall MoO3 nanoparticles supported on SiO2, TiO2, and ZrO2 nanospheres: an efficient epoxidation catalyst}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {44}, year = {2014}, month = {SEP}, pages = {19060-19066}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Ultrasmall molybdenum oxide (MoO3) nanoparticles supported on various (SiO2, TiO2 or ZrO2) nanospheres were synthesized in one pot using a reverse micelle method. The prepared catalysts were thoroughly characterized by various physico-chemical methods. TEM images showed uniform dispersion of MoO3 nanoparticles (1.5-4 nm) onto silica (similar to 275 nm). No separate MoO3 particles were identified from TEM for MoO3/TiO2 (similar to 10.5 nm) and MoO3/ZrO2 (similar to 6.5 nm) because AHM reacted with titanium and zirconium hydroxides to form solid solution. Among the prepared catalysts MoO3/SiO2 showed excellent catalytic activity (up to 90\% conversion and 100\% epoxide selectivity) for olefin epoxidation. The catalyst was successfully recycled up to five cycles without losing much activity and selectivity.
}, issn = {2050-7488}, doi = {10.1039/c4ta03754e}, author = {Chandra, Prakash and Doke, Dhananjay S. and Shubhangi B. Umbarkar and Biradar, Ankush V.} } @inbook {43326, title = {Open-source tools, techniques, and data in chemoinformatics}, booktitle = {Practical Chemoinformatics}, year = {2014}, pages = {1-92}, publisher = {Springer}, organization = {Springer}, chapter = {Open-Source Tools, Techniques, and Data in Chemoinformatics}, abstract = {
Chemicals are everywhere and they are essentially composed of atoms and bonds that support life and provide comfort. The numerous combinations of these entities lead to the complexity and diversity in the universe. Chemistry is a subject which analyzes and tries to explain this complexity at the atomic level. Advancement in this subject led to more data generation and information explosion. Over a period of time, the observations were recorded in chemical documents that include journals, patents, and research reports. The vast amount of chemical literature covering more than two centuries demands the extensive use of information technology to manage it. Today, the chemoinformatics tools and methods have grown powerful enough to handle and discover unexplored knowledge from this huge resource of chemical information. The role of chemoinformatics is to add value to every bit of chemical data. The underlying theme of this domain is how to develop efficient chemical with predicted physico-chemical and biological properties for economic, social, health, safety, and environment. In this chapter, we begin with a brief definition and role of open-source tools in chemoinformatics and extend the discussion on the need for basic computer knowledge required to understand this specialized and interdisciplinary subject. This is followed by an in-depth analysis of traditional and advanced methods for handling chemical structures in computers which is an elementary but essential precursor for performing any chemoinformatics task. Practical guidance on step-by-step use of open-source, free, academic, and commercial structure representation tools is also provided. To gain a better understanding, it is highly recommended that the reader attempts the practice tutorials, Do it yourself exercises, and questions given in each chapter. The scope of this chapter is designed for experimental chemists, biologists, mathematicians, physicists, computer scientists, etc. to understand the subject in a practical way with relevant and easy-to-understand examples and also to encourage the readers to proceed further with advanced topics in the subsequent chapters.
}, doi = {10.1007/978-81-322-1780-0_1 }, author = {Karthikeyan, Muthukumarasamy} } @article { ISI:000341017700012, title = {Optimization of the anti-cancer activity of the phosphatidylinositol-3 kinase pathway inhibitor PITENIN-1: switching thiourea with 1,2,3-triazole}, journal = {Medchemcomm}, volume = {5}, number = {9}, year = {2014}, month = {SEP}, pages = {1359-1363}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We previously reported encouraging in vitro and in vivo anti-cancer activity of N-((3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl) benzamide (termed PITENIN-1). In the current work, we describe the structure-activity relationship study of the PIT-1 series, based on the replacement of a central thiourea unit with 1,2,3-triazole, which leads to increased liver microsomal stability, drug likeness and toxicity towards cancer cells.
}, issn = {2040-2503}, doi = {10.1039/c4md00109e}, author = {Kommagalla, Yadagiri and Cornea, Sinziana and Riehle, Robert and Torchilin, Vladimir and Degterev, Alexei and Ramana, Chepuri V.} } @article { ISI:000337785400041, title = {Organic soluble and uniform film forming oligoethylene glycol substituted BODIPY small molecules with improved hole mobility}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {26}, year = {2014}, month = {MAY}, pages = {13376-13382}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Judiciously chosen side chains of conjugated molecules have a positive impact on charge transport properties when used as the active material in organic electronic devices. Amongst the side chains, oligoethylene glycols (OEGs) have been relatively unexplored due to their hydrophilic nature. OEGs also affect the smooth film formation of conjugated molecules, which preclude device fabrication. However, X-ray diffraction studies have shown that OEGs facilitate intermolecular contact, which is a desirable property for the fabrication of organic electronic devices. Thus the challenge is to design and synthesize organic solvent soluble and uniform film forming conjugated molecules with OEG side chains. We have designed and synthesized conjugated small molecules (CSMs) comprising BODIPY as acceptor and triphenylamine as donor with an OEG side chain. This molecule forms smooth films when processed from organic solvents. In order to understand the impact of the OEG side chain, we have also synthesized alkyl chain analogs. All the molecules exhibit exactly the same HOMO and LUMO energy levels, but the packing in the solid state is different. CSM with methyl side chains exhibit an inter planar distance of 4.15 A. Contrary to this, the OEG side chain containing CSM showed an inter planar spacing of 4.30 A, which is 0.2 A less than the alkyl side chain comprising CSMs. Please note that the length of the hydrophobic and hydrophilic side chains is the same. Interestingly, the OEG side chain comprising CSM showed two orders of higher hole carrier mobilities compared to all the other derivatives. The same molecule also showed an extremely low threshold voltage of -0.27 V indicating the OEG side chains{\textquoteright} favourable interaction between substrate as well as between molecules.
}, issn = {1463-9076}, doi = {10.1039/c4cp01098a}, author = {Singh, Saumya and Venugopalan, Vijay and Krishnamoorthy, Kothandam} } @article { ISI:000329039000021, title = {Organocatalytic stereoselective approach to the total synthesis of (-)-halosaline}, journal = {RSC Advances}, volume = {4}, number = {7}, year = {2014}, month = {NOV}, pages = {3238-3244}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A practical and efficient organocatalytic approach to the synthesis of substituted piperidine alkaloids in high enantio- and diastereomeric excess was achieved using proline-catalyzed sequential alpha-aminoxylation/alpha-amination reaction and HWE olefination reaction of an aldehyde.
}, issn = {2046-2069}, doi = {10.1039/c3ra44700f}, author = {Jha, Vishwajeet and Kumar, Pradeep} } @article { ISI:000327845900029, title = {Orthorhombic/cubic Cd2SnO4 nanojunctions: enhancing solar water splitting efficiency by the suppression of charge recombination}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {2}, year = {2014}, month = {NOV}, pages = {492-499}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The low practical efficiency of binary metal oxide semiconductor-based photo-electrochemical (PEC) water splitting has prompted researchers to examine ternary and quaternary oxides, which provide more leverage for engineering the desired PEC properties via stoichiometry (valence) and phase control. One ternary system of interest in this context is cadmium tin oxide (Cd2SnO4), which supports the cubic and orthorhombic phases with optical, electronic and catalytic properties that are favourable for PEC water splitting. However, its practical PEC performance is limited by high surface recombination of the photogenerated charge carriers. In this work we circumvent this problem by engineering the constitution of Cd2SnO4 nanoparticles to a biphasic nanojunction form, comprising of a nanocomposite of cubic and orthorhombic phases. The favourable conduction band alignment between the cubic and orthorhombic phases leads to a dramatic reduction in the recombination of the photogenerated charges, leading to a 10-fold increase (from 250 mu A cm(2) to over 2 mA cm(2)) in the photocurrent vis-a-vis the single cubic or orthorhombic phase performance. We discuss the underlying mechanism for the observed dramatic enhancement in the water splitting efficiency.
}, issn = {2050-7488}, doi = {10.1039/c3ta13851h}, author = {Deshpande, Aparna and Kelkar, Sarika A. and Rayalu, Sadhana and Ogale, Satishchandra} } @article { ISI:000341288500041, title = {Overview of the recent developments on Hg2+ recognition}, journal = {RSC Advances}, volume = {4}, number = {68}, year = {2014}, month = {JUN}, pages = {36140-36174}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Adverse influences of mercury on living organisms are well known. Despite efforts from various regulatory agencies, the build-up of Hg2+ concentration in the environment is of serious concern. This necessitates the search for new and efficient reagents for recognition and detection of Hg2+ in environmental samples as well as for application in diagnostics. Among various detection processes adopted for designing such reagents, generally methodologies that allow associated changes in spectra properties are preferred for the obvious ease in the detection process. Significant changes in the electronic spectral pattern in the visible region of the spectrum also induce detectable changes in solution colour for naked-eye detection and are useful for developing reagents for in-field sample analysis with yes-no type binary responses. However, reagents that allow detection of Hg2+ with associated fluorescence on response are useful for detection of Hg2+ in environmental samples, as well as for use as an imaging reagent, for detection of cellular uptake. High spin-orbit coupling constant for Hg2+ along with its high solvation energy in aqueous medium poses a challenge in developing efficient reagents with fluorescence on response that work in aqueous medium/physiological condition. To get around this problem, several methodologies, like conversion of rhodamine derivative spirolactam to strongly fluorescent xanthenes that form on binding to Hg2+, chemodosimetric reaction for generation of a new luminescent derivative, have been adopted. Apart from these, modified charge transfer processes on binding to Hg2+ have also been utilized for designing reagents for optical detection of Hg2+. Immobilization of such reagents on solid surfaces also led to the development of self-indicating Hg2+ ion scavengers. All such examples are discussed in the present review.
}, issn = {2046-2069}, doi = {10.1039/c4ra03594a}, author = {Mahato, Prasenjit and Saha, Sukdeb and Das, Priyadip and Agarwalla, Hridesh and Das, Amitava} } @article {45975, title = {Palladium nanoparticles supported on magnesium hydroxide fluorides: a selective catalyst for olefin hydrogenation}, journal = {ChemCatChem}, volume = {6}, year = {2014}, month = {NOV}, pages = {3182-3191}, type = {Article}, abstract = {
A one-pot synthesis of palladium nanoparticles supported on magnesium hydroxide fluoride has been performed with the fluorolytic sol-gel method. The prepared catalysts were characterized by using various physicochemical techniques. The sol-gel method led to high surface area (\>135 m(2)g(-1)), mesoporous catalysts (pore volume=0.19-0.23 cm(3)g(-1), pore diameter=3-5 nm) with uniformly dispersed palladium nanoparticles approximately 2 nm in diameter on the surface. The catalysts synthesized by using different concentrations of aqueous hydrofluoric acid exhibited changing surface and acidic properties. Very high dispersion of palladium on magnesium fluoride (47\%) was obtained with 1 wt\% palladium loading. The catalysts were used for hydrogenation of various olefins in the presence of other organic functionalities at room temperature and atmospheric hydrogen pressure. Various substituted olefins were hydrogenated with almost 100\% conversion and selectivity. The catalysts were recycled efficiently over five cycles without appreciable loss in catalytic activity. There was no palladium leaching under the reaction conditions, which was confirmed by inductively coupled plasma atomic emission spectroscopy analysis. Activation of olefin on the catalyst surface could not be observed by in situ FTIR studies, indicating facile activation of hydrogen on the palladium supported on magnesium hydroxide fluoride.
}, keywords = {alkenes, heterogeneous catalysis, Hydrogenation, magnesium fluorides, Palladium}, issn = {1867-3880}, doi = {10.1002/cctc.201402469}, author = {Acham, Vaibhav R. and Biradar, Ankush V. and Dongare, Mohan K. and Kemnitz, Erhard and Umbarkar, Shubhangi B.} } @article { ISI:000336020400012, title = {Partitioned EOMEA-MBPT(2): an efficient N-5 scaling method for calculation of electron affinities}, journal = {Journal of Chemical Theory and Computation}, volume = {10}, number = {5}, year = {2014}, month = {APR}, pages = {1923-1933}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We present an N-5 scaling modification to the standard EOMEA-CCSD method, based on the matrix partitioning technique and perturbative approximations. The method has lower computational scaling and smaller storage requirements than the standard EOMEA-CCSD method and, therefore, can be used to calculate electron affinities of large molecules and clusters. The performance and capabilities of the new method have been benchmarked with the standard EOMEA-CCSD method, for a test set of 20 small molecules, and the average absolute deviation is only 0.03 eV. The method is further used to investigate electron affinities of DNA and RNA nucleobases, and the results are in excellent agreement with the experimental values.
}, issn = {1549-9618}, doi = {10.1021/ct4009409}, author = {Dutta, Achintya Kumar and Gupta, Jitendra and Pathak, Himadri and Vaval, Nayana and Pal, Sourav} } @article { ISI:000330489600005, title = {PBI-BuI and PAN-PSSALi based UF membranes: effects of solute and membrane surface interactions on rejection and flux}, journal = {Desalination}, volume = {333}, number = {1}, year = {2014}, month = {JAN}, pages = {45-51}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Ultrafiltration membrane using tert-butylpolybenzimidazole (PBI-BuI) was prepared and characterized for flux and rejection performance using Gel Permeation Chromatography (GPC). Polyethylene glycol (PEG) and polyethylene oxide (PEO) with different molecular weights were used as the solutes. While using feed solution containing mixture of PEGs, higher rejection was observed than using individual PEG. The water flux of PBI-BuI membrane after passing individual PEG solutions showed considerable (similar to 36\%) reduction, which could be attributable to the PEG adsorption on the membrane pore surface. PEG adsorption was further substantiated by SEM, IR and TGA. The amphoteric nature of PBI-BuI could cause H-bonding between membrane surface and PEG molecules, leading to PEG adsorption on the membrane and pore surface. To ascertain this postulation, a study with PAN-PSSALi (which does not contain H-bonding) based UF membrane containing negatively charged -SO3- group was done. It was found that PEG adsorption in this case is not as predominant as in earlier case. This membrane showed marginal reduction in water flux of 8\%, vis-a-vis 36\% reduction shown by PBI-BuI based membrane. This indicated that H-bonding present in PBI-BuI is mainly responsible for the PEG adsorption on its membrane and pore surface, in spite of PEG being a neutral molecule. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Gel permeation chromatography, Polybenzimidazole, Rejection, Solute adsorption, Ultrafiltration}, issn = {0011-9164}, doi = {10.1016/j.desal.2013.11.036}, author = {Bhagat, Deepti G. and Mule, Bhavana and Mandlekar, Neeraj and Pandare, Kiran and Kharul, Ulhas K.} } @article { ISI:000327380800001, title = {Pd-Phosphinesulfonate bravely battles the {\textquoteleft}{\textquoteleft}vinyl halide insertion copolymerization{\textquoteright}{\textquoteright} barricade}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {52}, number = {1}, year = {2014}, month = {JAN}, pages = {1-6}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
This overview provides insights into the current state-of-the-art solutions to insertion copolymerization of functional olefinic monomers. The challenges in insertion copolymerization of functional olefinic monomers, with a special emphasis on vinyl halides, are highlighted. The crucial design of the Pd-phosphinesulfonate [Pd(PO)] enables up to 3.6 mol \% incorporation of vinyl fluoride (VF) in an ethylene-VF copolymerization reaction. In a significant development, insertion copolymerization of industrially relevant functional olefin, that is, vinyl chloride (VC), was unambiguously ascertained, and a detectable amount of VC (0.4 mol \%) was incorporated (at the chain end). In a detailed investigation, the in situ existence of (PO)PdH species during the polymerization was revealed, and it was demonstrated that these are indeed responsible for VC incorporation. (c) 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014, 52, 1-6
}, keywords = {functional olefin, insertion copolymerization, palladium catalyst, phosphinesulfonate, vinyl chloride}, issn = {0887-624X}, doi = {10.1002/pola.26968}, author = {Gaikwad, Shahaji R. and Deshmukh, Satej S. and Chikkali, Samir H.} } @article { ISI:000337000400508, title = {Permeation of lipidated protein in bilayer using unbiased simulations reveals signature motif for protein-membrane binding}, journal = {Biophysical Journal}, volume = {106}, number = {2, 1}, year = {2014}, note = {58th Annual Meeting of the Biophysical-Society, San Francisco, CA, FEB 15-19, 2014}, month = {JAN}, pages = {99A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Thukral, Lipi and Sengupta, Durba and Gokhale, Rajesh S.} } @article { ISI:000334067400005, title = {Perturbative approximation to hybrid equation of motion coupled cluster/effective fragment potential method}, journal = {Journal of Chemical Physics}, volume = {140}, number = {9}, year = {2014}, month = {MAR}, pages = {094101}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
Hybrid quantum mechanics/molecular mechanics (QM/MM) methods provide an attractive way to closely retain the accuracy of the QM method with the favorable computational scaling of the MM method. Therefore, it is not surprising that QM/MM methods are being increasingly used for large chemical/biological systems. Hybrid equation of motion coupled cluster singles doubles/effective fragment potential (EOM-CCSD/EFP) methods have been developed over the last few years to understand the effect of solvents and other condensed phases on the electronic spectra of chromophores. However, the computational cost of this approach is still dominated by the steep scaling of the EOM-CCSD method. In this work, we propose and implement perturbative approximations to the EOM-CCSD method in this hybrid scheme to reduce the cost of EOM-CCSD/EFP. The timings and accuracy of this hybrid approach is tested for calculation of ionization energies, excitation energies, and electron affinities of microsolvated nucleic acid bases (thymine and cytosine), phenol, and phenolate. (C) 2014 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4866838}, author = {Ghosh, Debashree} } @article {46393, title = {Pharmaceutical solids in crystal engineering}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C12}, type = {Meeting Abstract}, keywords = {cocrystals, crystal engineering, Supramolecular synthon}, issn = {2053-2733}, author = {Nangia, Ashwini} } @article { ISI:000341643300008, title = {Pharmacokinetic modeling of caco-2 cell permeability using genetic programming (GP) method}, journal = {Letters in Drug Design \& Discovery}, volume = {11}, number = {9}, year = {2014}, month = {NOV}, pages = {1112-1118}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
An accurate prediction of the pharmacokinetic properties of orally administered drugs is of paramount importance in pharmaceutical industry. Caco-2 cell permeability is a well established parameter for assessing the drug absorption profiles of lead molecules. Due to the restrictions on animal testing, prohibitive in situ models and ethical issues, the development of predictive models is essential. Genetic programming (GP) is an artificial intelligence (AI)-based exclusively data driven modeling paradigm. Given an example input-output data, it searches and optimizes, both the structure and parameters of a well fitting linear/non-linear input-output model. Despite this novelty, GP has not been widely exploited in drug design. Accordingly, in this study we propose a GP based approach for the in silico prediction of Caco-2 cell permeability using a diverse set of molecules. The predictions yielded a high magnitude for the training and test set correlation coefficient with low RMSE, indicating accurate Caco-2 permeability prediction and generalization performance by the GP model. The predictions were better or comparable to artificial neural networks (ANN) and support vector regression (SVR) methods. The GP based modeling approach illustrated will find diverse applications in (QSAR, QSPR and QSTR) modeling for the virtual screening of large libraries.
}, keywords = {ADME modeling, Caco-2 cell permeability, genetic programming, MLP, SVR}, issn = {1570-1808}, author = {Vyas, Renu and Goel, Purva and Karthikeyan, Muthukumarasamy and Tambe, S. S. and Kulkarni, B. D.} } @article { ISI:000341226500016, title = {pH-Dependent single-step rapid synthesis of cuo and cu2o nanoparticles from the same precursor}, journal = {Crystal Growth \& Design}, volume = {14}, number = {9}, year = {2014}, month = {SEP}, pages = {4329-4334}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A single-step protocol to prepare Cu2O and CuO nanocrystalline particles from the same precursor by microwave irradiation has been developed using the pH of the solution as the only variable parameter. The utility of different bivalent Cu-precursors for synthesis of CuO and Cu2O nanoparticles was also investigated. The morphology, phase purity, and optical properties of these nanoparticles were analyzed using TEM, SEM, XRD, and optical spectroscopy. The band edges were determined using cyclic voltammetry. Field effect transistors based on CuO nanoparticles showed a hole mobility of 3.5 x 10(-2) cm(2) V-1 s(-1), making them a suitable candidate for energy-related applications. The effect of hydrazine vapor exposure on the IV-characteristics of CuO nanoparticles was also investigated. This revealed a decrease in source current with respect to time.
}, issn = {1528-7483}, doi = {10.1021/cg500394p}, author = {Nikam, Arun V. and Arulkashmir, Arulraj and Krishnamoorthy, Kothandam and Kulkarni, Amol A. and Bhagavatula L. V. Prasad} } @article { ISI:000340208400025, title = {Phosphine free SBA-15-EDTA-Pd highly active recyclable catalyst: synthesis characterization and application for suzuki and sonogashira reaction}, journal = {Catalysis Science \& Technology}, volume = {4}, number = {9}, year = {2014}, month = {AUG}, pages = {2978-2989}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Phosphine obstructed highly efficient and reusable SBA-15-EDTA-Pd(11) has been synthesized by anchoring a Pd-EDTA complex over the surface of organo-functionalized SBA-15. The physiochemical properties of the organo-functionalized catalyst were analyzed by elemental analysis, ICP-OES, XRD, N-2 sorption measurement isotherms, TGA and DTA, solid state C-13, Si-29 NMR spectroscopy FT-IR, XPS DRS UV-visible, SEM and TEM. The XRD and N-2 sorption analyses of the synthesized catalyst confirm that the ordered mesoporous channel structure was retained even after the multistep synthetic procedures. The (100), (110) and (200) reflections in SBA-15 provide a good structural stability, an the existence of a long range order and high pore wall thickness. The TGA-DTA results reveal that the thermal stability of the synthesized catalyst SBA-15-EDTA-Pd(11) was maintained at higher temperature. The organic moieties anchored over the surface of the SBA-15 and inside the pore wall were demonstrated by solid state C-13 NMR and FT-IR spectroscopy. Further, solid state Si-29 NMR spectroscopy provides information about the degree of functionalization of the surface silanol groups, of the SBA-15 with organic moieties. The electronic environment and oxidation state of the Pd metal in the SBA-15-EDTA-Pd(11) were monitored by XPS, and DRS UV-visible techniques. Moreover, the morphologies and topographic information of the synthesized catalyst were confirmed by SEM and TEM spectroscopy. The synthesized catalyst SBA-15-EDTA-Pd(11) was screened for the Suzuki and Sonogashira coupling reactions and shows a higher catalytic activity with higher TON (turn over number). The anchored solid catalyst can be recycled efficiently and reused five times, without a major loss in the reactivity.
}, issn = {2044-4753}, doi = {10.1039/c4cy00144c}, author = {Sharma, Priti and Singh, A. P.} } @article { ISI:000335720200011, title = {Phosphoric acid loaded azo (-N=N-) based covalent organic framework for proton conduction}, journal = {Journal of the American Chemical Society}, volume = {136}, number = {18}, year = {2014}, month = {MAY}, pages = {6570-6573}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Two new chemically stable functional crystalline covalent organic frameworkds (COFs) (Tp-Azo and Tp-Stb) were synthesized using the Schiff base reaction between triformylphloroglucinol (Tp) and 4,4{\textquoteright}-azodianiline (Azo) or 4,4{\textquoteright}-diaminostilbene (Stb), respectively. Both COFs show the expected keto-enamine form, and high stability toward boiling water, strong acidic, and basic media. H3PO4 doping in Tp-Azo leads to immobilization of the acid within the porous framework, which facilitates proton conduction in both the hydrous (sigma = 9.9 X 10(-4) S cm(-1)) and anhydrous state (sigma = 6.7 X 10(-5) S cm-1). This report constitutes the first emergence of COFs as proton conducting materials.
}, issn = {0002-7863}, doi = {10.1021/ja502212v}, author = {Chandra, Suman and Kundu, Tanay and Kandambeth, Sharath and BabaRao, Ravichandar and Marathe, Yogesh N. and Kunjir, Shrikant M. and Banerjee, Rahul} } @article { ISI:000340446300061, title = {Photocatalytic H-2 evolution from water-methanol system by anisotropic InFeO3(ZnO)(m) oxides without cocatalyst in visible light}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {15}, year = {2014}, month = {AUG}, pages = {12321-12327}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
InFeO3(ZnO)(m), series of oxides are found to give unprecedented H-2 evolution from water-methanol mixtures without using any cocatalysts. This family of compounds has an anisotropically layered structure in which Zn/FeOn polyhedra are sandwiched between InO6 octahedral layers. Local structure characterization by X-ray absorption spectroscopy reveals that Zn coordination changes from pentacoordinated to tetrahedral geometry across the series, whereas Fe geometry remains trigonal bipyramidal in all the compounds. This peculiar structure is conducive for a spatial separation of photogenerated charges reducing recombination losses. Band gap energies calculated from absorption spectra indicate potential visible light activity, and this may be due to the orbital mixing of Fe 3d and O 2p as revealed by pre-edge features of X-ray absorption spectra. Band positions are also advantageously placed for a visible light H-2 generation and is indeed found to be the case in methanol-assisted water splitting with standardized hydrogen evolution of similar to 19.5 mmol g(-1) h(-1) for all the catalysts.
}, keywords = {anisotropic structure, H-2 evolution, InFeO3(ZnO)(m), layered oxide, photocatalytic water splitting}, issn = {1944-8244}, doi = {10.1021/am501976z}, author = {Narendranath, Soumya B. and Yadav, Ashok Kumar and Bhattacharyya, Dibyendu and Jha, Shambhu Nath and Devi, R. Nandini} } @article { ISI:000343686500039, title = {Photocatalytic metal-organic framework from cds quantum dot incubated luminescent metallohydrogel}, journal = {Journal of the American Chemical Society}, volume = {136}, number = {42}, year = {2014}, month = {OCT}, pages = {14845-14851}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Cadmium sulfide (CdS) quantum dots (\<10 nm in size) have been successfully synthesized in situ without any capping agent in a Zn(II)-based low-molecular-weight metallohydrogel (ZAVA). Pristine ZAVA hydrogel shows blue luminescence, but the emission can be tuned upon encapsulation of the CdS quantum dots. Time-dependent tunable emission (white to yellow to orange) of the CdS incubated gel (CdS@ZAVA gel) can be attributed to sluggish growth of the quantum dots inside the gel matrix. Once CdS quantum dots are entrapped, their augmentation can be stopped by converting the gel into xerogel, wherein the quantum dots remains embedded in the solid xerogel matrix. Similar size stabilization of CdS quantum dots can be achieved by means of a unique room-temperature conversion of the CdS incubated ZAVA gel to CdS incubated MOF (CdS@ZAVCl) crystals. This in turn arrests the tunability in emission owing to the restriction in the growth of CdS quantum dots inside xerogel and MOF. These CdS embedded MOFs have been utilized as a catalyst for water splitting under visible light.
}, issn = {0002-7863}, doi = {10.1021/0509019k}, author = {Saha, Subhadeep and Das, Gobinda and Thote, Jayshri and Banerjee, Rahul} } @article {46382, title = {Photochromic metal organic frameworks for inkless and erasable printing}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C110}, type = {Meeting Abstract}, keywords = {Erasable Printing, Inkless Printing, metal organic framework}, issn = {2053-2733}, author = {Garai, Bikash and Banerjee, Rahul} } @article { ISI:000332999800006, title = {Photoelectrochemical splitting of water with nanocrystalline Zn1-xMnxO thin films: first-principle DFT computations supporting the systematic experimental endeavor}, journal = {International Journal of Hydrogen Energy}, volume = {39}, number = {8}, year = {2014}, month = {MAR}, pages = {3637-3648}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Photoelectrochemical splitting of water with nanocrystalline Zn1-xMnxO thin films was investigated. ZnO thin films with 1, 3, 5 and 7\% at. Mn incorporation were synthesized by sol gel method and characterized by X-Ray Diffraction (XRD) analysis, Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM), X-ray Photoelectron spectroscopy (XPS), High Resolution Transmission Electron Microscopy (HR-TEM) and UV-Vis spectroscopy. Mn incorporation coupled with variation in sintering temperature led to significant microstructural changes, which tentatively influenced the magnitude of optical absorption and charge carrier mobility, thereby impacting the performance of such systems towards photoelectrochemical splitting of water. Electronic structure computations based on first principle density functional theory (DFT) revealed electronic states of Mn being responsible for the marginally recorded red shift in bandgap energy. Photoelectrochemical measurements using thin films of 1\% at. Mn:ZnO sintered at 600 degrees C yielded 3 times enhanced photocurrent at zero bias due to improved optical absorption. Plausible explanations for the effect have also been offered. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Density functional theory, Hydrogen energy, Mn doped ZnO, Optical properties, Photoelectrochemical water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2013.12.150}, author = {Sharma, Vidhika and Dixit, Mudit and Satsangi, Vibha R. and Dass, Sahab and Pal, Sourav and Shrivastav, Rohit} } @conference { ISI:000352795700039, title = {Photo-enhanced field emission studies of tapered CdS nanobelts}, booktitle = {2014 27th International Vacuum Nanoelectronics Conference (IVNC) }, series = {International Vacuum Nanoelectronics Conference}, year = {2014}, note = {27th International Vacuum Nanoelectronics Conference (IVNC), Engelberg, SWITZERLAND, JUL 06-10, 2014}, month = {JUL}, publisher = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, organization = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, address = {345 E 47th St, New York, NY 10017 USA}, abstract = {
Field emission and photo-enhanced field emission characteristics of single crystalline tapered CdS nanobelts have been investigated. The turn-on field for the emission current density of similar to 0.1 mu A/cm(2) is found to be similar to 2.1 V/mu m, which is much lower than reported values for various CdS nanostructures. The photo-enhanced field emission current shows a reproducible photo-switching behavior with rise in current level nearly four times that of its initial preset value (similar to 1 mu A) which is found to be very remarkable. Possible mechanism of photo-enhanced field emission is discussed.
}, keywords = {Current stability, field emission, Nanobelts, Photoswitching}, isbn = {978-1-4799-5306-6}, issn = {2164-2370}, author = {Chavan, Padmakar G. and More, Mahendra A. and Joag, Dilip S. and Badadhe, Satish S. and Mulla, Imtiaz S.}, editor = {Tsujino, S. and Gobrecht, J. and Paraliev, M. and Braun, H. H. and Groening, O. and Feurer, T.} } @article { ISI:000333205200008, title = {Photophysical and photoconductivity properties of thiol-functionalized graphene-CdSe QD composites}, journal = {RSC Advances}, volume = {4}, number = {27}, year = {2014}, month = {JAN}, pages = {13788-13795}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Graphene-semiconductor QD hybrid nanostructure materials have recently emerged as a new class of functional materials because of their potential applications in solar energy conversion, optoelectronic devices, sensing etc. Here, oleic acid-capped CdSe QDs are attached to -PhSH functionalized graphene by ligand exchange via bonding with the -SH group. The shifting of the G-band and D-band due to structural changes for the attachment of QD with graphene has been evaluated by using Raman spectroscopy. Steady state photoluminescence (PL) and time resolved fluorescence measurements have been employed to understand the electronic interactions between graphene and CdSe QDs. A time resolved fluorescence spectroscopic study has been used to understand the fluorescence dynamics of the photoexcitated CdSe QDs in the presence of graphene. It is evident that the electron transfer occurs from photoexcited QDs to graphene and the electron transfer rate is found to be 12.8 x 10(8) s(-1) for 3.8 nm CdSe QDs. Photoconductivity properties of the graphene-QD device under illumination have been examined and it is to be noted that 2-3 fold increase in the photocurrent is found in this composite device in presence of 1.5 AM solar simulated light. The enhancement of the photocurrent in this hybrid device is found to be suitable for potential applications in optoelectronic and solar cell systems.
}, issn = {2046-2069}, doi = {10.1039/c3ra47420h}, author = {Debgupta, Joyashish and Mandal, Sadananda and Kalita, Hemen and Aslam, Mohammed and Patra, Amitava and Pillai, Vijayamohanan} } @article { ISI:000341287200041, title = {Photophysical, bandstructural, and textural properties of o-FeNbO4 in relation to its cocatalyst-assisted photoactivity for water oxidation}, journal = {RSC Advances}, volume = {4}, number = {63}, year = {2014}, month = {JUL}, pages = {33435-33445}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In this study, a relationship between physicochemical, photophysical and photocatalytic properties of hydrothermally synthesized orthorhombic iron niobate (FeNbO4) is investigated. o-FeNbO4 displayed a multi-regime optical absorbance, which was ascribed to at least two distinct phenomena: (i) bandgap (similar to 3.4 eV) excitation giving rise to UV absorbance and (ii) energy transitions involving disorder-induced sub-bandgap donor or acceptor states leading to visible light absorbance. The preparation-dependent distortion in the crystal lattice and the existence of closely spaced inter-bandgap energy states were corroborated by powder X-ray diffraction, photoluminescence, thermoluminescence, and Raman spectroscopy studies. The first principles electronic structure elucidation and photoelectrochemical measurements supported a wide bandgap for FeNbO4, in contrast to the narrow bandgap reported previously. Correspondingly, a small photocurrent density was observed for FeNbO4 (similar to 2 to 3 mu A cm(-2)) under 1 sun illumination, suggesting the availability of a smaller cross section of photogenerated charge pairs. Following these band characteristics, while no H-2 evolution was observed, FeNbO4 gave rise to particle size-dependent O-2 evolution during visible light irradiation of water in the presence of electron scavengers, the samples loaded with NiO as cocatalyst showing better activity. Further, the transmission electron microscopy examination revealed the dominant exposure of (011) facets of FeNbO4, besides a significant heterogeneity of inter-domain boundaries. Overall, our results confirm that the photoactivity of metal/oxide nanocomposites is governed by a combination of factors, such as: grain morphology, microstructure, surface adsorption states, and the localized inter-bandgap energy states. Our study also reveals that, in contrast to prevalent assumptions, the wavelength at the absorption edge may not represent the true band-to-band energy gap of metal oxide semiconductors, which is relevant to their photocatalytic activity.
}, issn = {2046-2069}, doi = {10.1039/c4ra06059h}, author = {Babu, Robin and Kelkar, Sarika A. and Kashid, Vikas and Achary, Srungarpu N. and Salunke, Hemant G. and Gupta, Narendra M.} } @article { ISI:000328434500029, title = {Photopolymerization kinetics of bis-aromatic based urethane acrylate macromonomers in the presence of reactive diluent}, journal = {Progress in Organic Coatings}, volume = {77}, number = {1}, year = {2014}, month = {JAN}, pages = {225-231}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The present work deals with the photopolymerization of bis-aromatic based urethane acrylate macromonomers in the presence of excess end capping agent as reactive diluent and estimation of their kinetic parameters. Formulations were made by independently homogenizing the macromonomers with photoinitiators of three different classes. Three different compositions of photoinitiators were used to study the effect of concentration of photoinitiator on cure kinetics. These compositions obtained were tested for photo curing performance using photo DSC under polychromatic radiation. The heat flows against time were recorded for all formulations under isothermal condition and the rates of polymerization, peak maximum times as well as the percentage conversions were estimated. It was observed that due to a longer timescale for reaction diffusion, formulations with macromonomer containing propoxylated backbone showed higher conversions than the corresponding ethoxylated analogue. The photopolymerization and kinetic estimations of the formulations including evaluation of kinetic model are discussed. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Bimolecular termination model, kinetics, Macromonomer, Photopolymerization}, issn = {0300-9440}, doi = {10.1016/j.porgcoat.2013.09.006}, author = {Harikrishna, Reghunathan and Ponrathnam, S. and Rajan, C. R.} } @article { ISI:000340517700011, title = {Photopolymerization kinetics of block polyether based terminal urethane methacrylate with/without cross-linker}, journal = {Advances in Polymer Technology}, volume = {33}, number = {3}, year = {2014}, month = {FEB}, pages = {21418}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
The present work deals with the photopolymerization of difunctional macromonomer with a polyether chain and urethane methacrylate terminations. Macromonomeric formulations were prepared by mixing macromonomer with two different concentrations of photoinitiator. Formulations were also prepared by the addition of 10 wt\% of soft-segmented difunctional cross-linker to the abovementioned macromonomic formulations. All formulations were then subjected to photopolymerization studies and the effects of light intensity on the photopolymerization kinetics were studied at two different isothermal conditions using photo differential scanning calorimetry (Photo DSC) with polychromatic radiation. The isothermal heat flow against time was recorded for all formulations and the kinetic parameters were noted. It was observed that the rate of maximum polymerization as well as peak maximum time showed a general trend. However, the ultimate conversion as well as the conversion at maximum rate did not show any trend due to diffusional restrictions imparted by the increase in viscosity with conversion. The photopolymerization of the formulations and curing kinetics including evaluation of autocatalytic model are discussed. (C) 2014 Wiley Periodicals, Inc.
}, keywords = {kinetics, Macromonomers, Modeling, Photo DSC, Photopolymerization}, issn = {0730-6679}, doi = {10.1002/adv.21418}, author = {Reghunathan, Harikrishna} } @article { ISI:000325450600001, title = {Photopolymerization of high internal phase emulsions based on 2-ethylhexyl (meth)acrylates and ethylene glycol dimethacrylate}, journal = {Designed Monomers and Polymers}, volume = {17}, number = {1}, year = {2014}, month = {JAN}, pages = {1-6}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Photopolymerization of high internal phase emulsions based on 2-ethylhexyl (meth)acrylates and ethylene glycol dimethacrylate was carried out in presence of low concentration of different photoinitiators. The stable emulsions obtained by mixing with individual photoinitiators were subjected to low-intensity photopolymerization under UV-Visible lamp. Identical samples were irradiated for differing periods ranging from 2 to 10min at an interval of 2min. The percentage conversions of each monomer in the compositions with respect to the time of irradiation were determined using gas chromatography. It was observed that the formulations containing IRGACURE 819 showed the highest conversion while that containing IRGACURE 2959 showed the least conversion. The former showed high conversion due to the proximity of the absorption maxima of photoinitiator to the major emission line of mercury spectrum at 365nm while the latter showed least conversion due to non-availability of major absorption maxima within the irradiation range.
}, keywords = {(meth)acrylates, high internal phase emulsion, Photopolymerization, residual monomer analysis}, issn = {1385-772X}, doi = {10.1080/15685551.2013.771312}, author = {Harikrishna, Reghunathan and Shaikh, A. W. and Ponrathnam, S. and Rajan, C. R. and Bhongale, Sunil Sitaram} } @article { ISI:000331493100022, title = {Photoresponsive smectic liquid crystalline multipods and hyperbranched azo polymers}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {6}, year = {2014}, month = {FEB}, pages = {1670-1684}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Liquid crystalline azobenzene containing triped and tetraped monomers were designed and synthesized and further used as B-3 and B-4 type monomers to form hyperbranched polymers with tetraethylene glycol as the A(2) type comonomer. The mesophase characteristics of the multiarm-star mesogens and hyperbranched polymers were analyzed using various instrumentation techniques like differential scanning calorimetry (DSC), polarized light microscopy (PLM) and variable temperature XRD. The multipod monomers as well as hyperbranched polymers exhibited thermotropic smectic liquid crystalline characteristics with a tendency toward higher ordered smectic LC phases with increased branching. The hyperbranched polymers exhibited lamellar organization even in the as-solvent precipitated powder sample indicating higher extent of nanosegregation. Their potential application as fast switching photochromic materials was highlighted by carrying out isothermal photo-switching experiments in the LC state. Reversible isothermal smectic-isotropic phase transition could be achieved by UV irradiation in \<1 s in the multipod monomers, while it required \>2 s UV irradiation in the case of the hyperbranched polymers.
}, issn = {1520-6106}, doi = {10.1021/jp410589h}, author = {Nardele, Chinmay G. and Asha, S. K.} } @conference {46367, title = {Photosensitive field emission study of SnS2 nanosheets (27th International Vacuum Nanoelectronics Conference )}, booktitle = {2014 27TH International Vacuum Nanoelectronics Conference (IVNC)}, year = {2014}, month = {JUL}, publisher = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, organization = {Paul Scherrer Inst; EMPA, Mat Sci \& Technol; Swiss Nanoscience Inst; Appl MicroSWISS; Amer Elements; Amer Vacuum Soc; IEEE, Electron Devices Soc}, address = {345 E 47TH ST, NEW YORK, NY 10017 USA}, abstract = {
SnS2 nanosheets (SnS(2)NSs), synthesized by one-step hydrothermal reaction, are subjected to Field Emission (FE) studies. For synthesis, specific concentrations of Na2SnO3 and thioamide solution are used. The FE study is carried out in all metal Ultra High Vacuum (UHV) chamber in planar diode configuration at a base pressure of similar to 10(-8) torr. A maximum current density of 110 mu A/cm(2) was attainable. The turn on field required to draw a current density of 1 mu A/cm(2) is found to be 2.6 V/mu m. A separate study was carried out to investigate the photosensitivity of the emitter by illuminating the specimen under visible light. In dark, the FN plot is non-linear, indicative of semiconductor nature of the emitter. However, on illumination, the FN plot is observed to be linear. This remarkable change can be explained by the photoconductivity imparted on illumination. The field at the tip is high in presence of light, than in dark, due to enhanced conductivity. It is also observed that on switching ON the light, the FE current increases almost instantaneously. Repetitive switching is observed at a fixed applied voltage, generating current pulses. The visible light soaking of the sample is carried out by illuminating the lamp for more than 100 minutes, where the current seems to saturate. On switching off the lamp the emission current decayed almost to its initial value exponentially. The photosensitivity has been studied for different wavelengths in the visible spectra. The maximum photosensitive field emission is observed for green filter. With this photoresponse, it is envisaged that SnS2 nanosheets are a potential candidate for optoelectronic applications of field emitters.
}, keywords = {field emission, photosensitivity, Photoswitching}, isbn = {978-1-4799-5306-6}, author = {Joshi, Padmashree D. and Joag, Dilip S. and Rout, Chandra Shekhar and Late, Dattatray J.}, editor = {Tsujino, S and Gobrecht, J and Paraliev, M and Braun, HH and Groening, O and Feurer, T} } @article { ISI:000337617500028, title = {Plasmon-enhanced photocurrent generation from click-chemically modified graphene}, journal = {Chemistry-A European Journal}, volume = {20}, number = {24}, year = {2014}, month = {JUN}, pages = {7402-7409}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The visible-light response of Au nanoparticles (AuNPs) assembled on rGO through different molecular bridges was investigated by transient photocurrent generation. We prepared rGO with two self-assembled monolayers (SAMs), one linear and the other with aromatic triazoles through a click cycloaddition reaction. A fivefold photocurrent enhancement was observed for triazole linkers over the aminopropyltrimethoxysilane (APTMS) linker. Cyclic voltammetry (CV) and impedance measurements also suggest fast electron transfer on account of the low resistance offered by the click-modified rGO surface whereby introduction of triazoles offers the efficient bridge between the donor AuNPs and acceptor rGO.
}, keywords = {Gold, graphene, Nanoparticles, photophysics, surface plasmon resonance}, issn = {0947-6539}, doi = {10.1002/chem.201400403}, author = {Yenchalwar, Sandeep G. and Devarapalli, Rami Reddy and Deshmukh, Ashvini B. and Shelke, Manjusha V.} } @article {46370, title = {Plasmonic light harvesting of dye sensitized solar cells by Au-nanoparticle loaded TiO2 nanofibers}, journal = {Journal of Materials Chemistry A}, volume = {2}, year = {2014}, month = {FEB}, pages = {975-984}, type = {Article}, abstract = {
We report a significant enhancement in the performance of dye sensitized solar cells by using in situ Au nanoparticle (Au NP) loaded TiO2 nanofibers (Au: TiO2 NFs) as the light harvesting (LH) layer as compared to the use of only TiO2 nanofibers (NFs) as the LH layer. The Au NP: TiO2 nanofibers are prepared by electro-spinning of a precursor mixture whereby nanostructured porous TiO2 nanofibers are formed and get in situ loaded with only 4-5 nm AuNPs. The as-synthesized nanofibers are characterized by X-ray diffraction, Raman, photoluminescence (PL) and Mott-Schottky analyses. The presence of gold nanoparticles shows considerable improvements in light harvesting and the electrochemical properties of TiO2 nanofibers. A remarkable enhancement in the efficiency by 25\% is achieved with the AuNF LH layer as compared to 12\% with the NF layer, over the value without any light harvesting layer. The IPCE and impedance analyses reveal commensurate improvements. The impedance study shows a decrease in the transport resistance (R-TiO2) and an increment in the chemical capacitance and life time of the solar cell. Systematic analyses of the optical properties suggest that the enhanced light harvesting by Au NP loaded TiO2 nanofibers is caused by the role of plasmon-polariton modes at the distributed nanoscale Schottky junctions in the Au: TiO2 nanofibers.
}, issn = {2050-7488}, doi = {10.1039/c3ta13246c}, author = {Naphade, Rounak A. and Tathavadekar, Mukta and Jog, Jyoti P. and Agarkar, Shruti and Ogale, Satishchandra} } @article {46364, title = {Polarization switching characteristics of 0.5BaTi(0.8)Zr(0.2)O(3)-0.5Ba(0.7)Ca(0.3)TiO(3) lead free ferroelectric thin films by pulsed laser deposition}, journal = {JOURNAL OF APPLIED PHYSICS}, volume = {115}, year = {2014}, month = {APR }, pages = {154102}, type = {Article}, abstract = {
We report on the ferroelectricity for morphotropic-phase-boundary lead (Pb) free 0.5BaTi(0.8)Zr(0.2)O(3)-0.5Ba(0.7)Ca(0.3)TiO(3) (0.5BZT-0.5BCT) thin films. Thin films were grown on Pt/Ti/SiO2/Si substrate using pulsed laser deposition. Raman spectroscopic data combined with the X-ray diffraction analyses confirm body centered tetragonal crystallographic structure 0.5BZT-0.5 BCT thin films on Pt/Ti/SiO2/Si. Polarization studies demonstrate that these 0.5BZT-0.5BCT films exhibit a large remnant and saturation polarization of 37 mu C/cm(2) and 40 mu C/cm(2), respectively, with a coercive field of 140 kV/cm. A correlation between polarization dynamics, structural distortion, and phonon vibration is established. The splitting of X-ray diffraction peak of the thin film in the 2 theta range of 44.5 degrees to 46.5 degrees represents high degree of tetragonality. The tetragonality factor calculated by Rietveld analysis was found to be 0.006 and can be a major cause for the increased remnant polarization value. It is established from Raman spectra that the non-centrosymmetricity due to the displacement of Ti/Zr ions from its octahedral position is related to the peak position as well as the broadening of the A(1) (LO) optical phonon mode. This increase of broadness in the thin film causes an increase in the dipole moment of the unit cell and, hence, the net increase in polarization values. (C) 2014 AIP Publishing LLC.
}, issn = {0021-8979}, doi = {10.1063/1.4871673}, author = {Kolekar, Y. D. and Bhaumik, A. and Shaikh, P. A. and Ramana, C. V. and Ghosh, K.} } @article { ISI:000340975900071, title = {Poly (3,4-ethylenedioxythiophene) (PEDOT) and poly (3,4-ethylenedioxythiophene)-few walled carbon nanotube (PEDOT-FWCNT) nanocomposite based thin films for Schottky diode application}, journal = {Materials Chemistry and Physics}, volume = {147}, number = {3}, year = {2014}, month = {OCT}, pages = {867-877}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Transparent, conductive films of poly (3,4-ethylenedioxythiophene) (PEDOT) and poly (3,4-ethylenedioxythiophene)-few walled carbon nanotube (PEDOT-FWCNT) nanocomposite were synthesized by in-situ oxidative polymerization and investigated for their Schottky diode property. The prepared films were characterized by UV-Vis spectroscopy, thermal gravimetric analysis (TGA), surface resistivity, cyclic voltametery, scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM). SEM reveals the formation of homogeneous and adhesive polymer films while HRTEM confirms the uniform wrapping of polymer chains around the nanotube walls for PEDOT-FWCNT film. Improved thermal stability, conductivity and charge storage property of PEDOT in the presence of FWCNT is observed. Among different compositions, 5 wt. \% of FWCNT is found to be optimum with sheet resistance and transmittance of 500 Omega sq(-1) and 77\%, respectively. Moreover, the electronic and junction properties of polymer films were studied and compared by fabricating sandwich type devices with a configuration of Al/PEDOT or PEDOT-FWCNT nanocomposite/indium tin oxide (ITO) coated glass. The measured current density-voltage characteristics show typical rectifying behavior for both configurations. However, enhanced rectification ratio and higher forward current density is observed in case of PEDOT-FWCNT based Schottky diode. Furthermore, reliability test depicts smaller hysteresis effect and better performance of PEDOT-FWCNT based diodes. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Composite materials, Electrical properties, Polymer, Thin films}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2014.06.032}, author = {Gupta, Bhavana and Mehta, Minisha and Melvin, Ambrose A. and Kamalakannan, R. and Dash, Sitaram and Kamruddin, M. and Tyagi, A. K.} } @article { ISI:000337097500019, title = {Polybenzimidazole based film forming polymeric ionic liquids: synthesis and effects of cation-anion variation on their physical properties}, journal = {Polymer Chemistry}, volume = {5}, number = {13}, year = {2014}, month = {FEB}, pages = {4083-4096}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Polymeric ionic liquids (PILs) are gaining wide attention due to their tunable properties and applicability in various upcoming areas, including membranes for CO2 separation. The known methodologies yield PILs that are difficult to convert into film form. The present work investigates a synthetic approach for obtaining PILs based on a strong film forming with a fully aromatic rigid backbone while incorporating ionic liquid character in it. Three structurally different polybenzimidazoles (PBI-I, PBI-BuI and ABPBI) were N-quaternized by a methyl group, followed by iodide exchange with various promising anions. The extent of iodide exchange by another anion was high enough (\>94\% in most cases). Most of the resulting PILs with various anions offer mechanically strong films, with the exception of those based on acetate and benzoate as an anion. Although the base PBI has excellent film forming ability, this result conveyed the role of anion in governing the film forming ability of the PIL. Salient features of this methodology include a fully aromatic polycation backbone, wide structural tunability (by virtue of variation not only of the anion/cation, but also with N-substituent) and introducing two IL characters per repeat unit of a PIL (except for PILs based on ABPBI). Attempted PIL structural variations showed diverse property variations in bulk and surface properties (solvent solubility, contact angle, water sorption, thermal stability, polyelectrolyte behaviour, CO2 sorption and ionic conductivity). Mechanical properties of film forming PILs exhibited high enough tensile strength, conveying their applicability as membrane materials.
}, issn = {1759-9954}, doi = {10.1039/c3py01709e}, author = {Bhavsar, Rupesh S. and Kumbharkar, Santosh C. and Rewar, Anita S. and Kharul, Ulhas K.} } @article { ISI:000331020000010, title = {Polyketide synthesis in tobacco plants transformed with a plumbago zeylanica type III hexaketide synthase}, journal = {Phytochemistry}, volume = {98}, year = {2014}, month = {FEB}, pages = {92-100}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A type III polyketide synthase from Plumbago zeylanica (PzPKS) was cloned and expressed in tobacco plants to study whether the transgenic tobacco plants expressing PzPKS synthesize the pharmacologically important polyketide, plumbagin. High resolution mass spectrometry based metabolite profiling of two transgenic events and wild type tobacco plants was carried out to investigate changes in polyketides, including plumbagin. Ten polyketides, which included six pyrones and four naphthalene derivatives, were identified in PzPKS transgenic plants. While one pyrone, styry1-2-pyranone, was detected in both, wild type and transgenic tobacco plants, three pyrones were expressed only in the leaves of transgenic tobacco plants. The transgenic tobacco plants did not accumulate plumbagin, but showed accumulation of isoshinanolone in the roots, which is postulated to be the reduction product of plumbagin. In addition, leaves of transgenic tobacco plants accumulated 3-methyl-1,8-naphthalenediol, a postulated precursor of plumbagin. The results indicated the requirement of additional Plumbago-specific components in the biosynthetic pathway of this polyketide. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {HR-MS, Metabolite profiling, Napthalene derivatives, Plumbago zeylanica L., Polyketide synthase, Pyrones, Tobacco transgenics}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2013.11.017}, author = {Jadhav, Supriya and Phapale, Prasad and Thulasiram, Hirekodathakallu V. and Bhargava, Sujata} } @article { ISI:000330822000009, title = {Polystyrene/TiO2 composite electrospun fibers as fillers for poly(butylene succinate-co-adipate): Structure, morphology and properties}, journal = {European Polymer Journal}, volume = {50}, year = {2014}, month = {JAN}, pages = {78-86}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In this work, composite polystyrene/titanium dioxide (PS/TiO2) electrospun fibers were used as a reinforcement for a poly(butylene succinate-co-adipate) (PBSA) matrix. The structure, morphology, mechanical properties and degradation behavior of such materials were investigated, finding that, as a function of their TiO2 content, the fibers exerted different effects. The main mechanism through which the fibers modified the structure and morphology of the polymer matrix is by altering its crystallization kinetics. The presence of TiO2 modified the roughness of the fibers and therefore affected the interfacial adhesion between the filler and the matrix. The modulus of PBSA was improved, even though the brittleness of the materials was increased by the presence of the fibers. Different amounts of TiO2 within the fibers allowed to tune the hydrolytic degradation rate of the composites. This paper shows the potential of using composite electrospun fibers as effective fillers for the preparation of polymer-based composites. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Biodegradable polymers, Degradation, electrospinning, Morphology, Nanocomposites, Polycaprolactone}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2013.11.002}, author = {Neppalli, Ramesh and Causin, Valerio and Benetti, Edmondo Maria and Ray, Suprakas Sinha and Esposito, Antonella and Wanjale, Santosh and Birajdar, Mallinath S. and Saiter, Jean-Marc and Marigo, Antonio} } @article {46392, title = {Porous porphyrin organic polymer for visible light triggered hydrogen production}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C1145}, type = {Meeting Abstract}, keywords = {Photocatalysis, Porous Porphyrin Organic Polymer (PPOP), titania}, issn = {2053-2733}, author = {Mukherjee, Gargi} } @article { ISI:000332124800027, title = {Post modification of MOF derived carbon via g-C3N4 entrapment for an efficient metal-free oxygen reduction reaction}, journal = {Chemical Communications}, volume = {50}, number = {25}, year = {2014}, month = {FEB}, pages = {3363-3366}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
High surface area carbon with a nitrogen content of 7.0\% is derived from MOF via in situ g-C3N4 formation. The material shows excellent ORR activity with an onset potential of 0.035 V (vs. Hg/HgO) in alkaline medium apart from high durability and strong disinclination towards methanol crossover.
}, issn = {1359-7345}, doi = {10.1039/c3cc47620k}, author = {Pandiaraj, Sekar and Aiyappa, Harshitha Barike and Banerjee, Rahul and Kurungot, Sreekumar} } @article {46395, title = {Post-synthetically modified porous covalent framework (PCF) for high proton conduction}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C1156}, type = {Meeting Abstract}, keywords = {Porous Covalent Framework, Post-synthetic Modification, proton conduction}, issn = {2053-2733}, author = {Samanta, Partha and Desai, Aamod and Anothumakkool, Bihag and Shirolkar, Mandar and Karmakar, Avishek and Kurungot, Sreekumar and Ghosh, Sujit} } @article {42443, title = {Practical synthesis of phthalimides and benzamides by a multicomponent reaction involving arynes, isocyanides, and CO2/H2O}, journal = {Organic Letters}, volume = {16}, year = {2014}, month = {MAR}, pages = {1728{\textendash}1731}, abstract = {
Transition-metal-free multicomponent reactions involving arynes and isocyanides with either CO2 or H2O have been reported. With CO2 as the third component, the reactions resulted in the formation of N-substituted phthalimides. The utility of water as the third component furnished benzamide derivatives in moderate to good yields. These reactions took place under mild conditions with broad scope.
}, doi = {10.1021/ol500403x}, author = {Kaicharla, Trinadh and Thangaraj, Manikandan and Biju, Akkattu T.} } @article { ISI:000335400800021, title = {Prediction of higher heating value of solid biomass fuels using artificial intelligence formalisms}, journal = {Bioenergy Research}, volume = {7}, number = {2}, year = {2014}, month = {JUN}, pages = {681-692}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The higher heating value (HHV) is an important property defining the energy content of biomass fuels. A number of proximate and/or ultimate analysis based predominantly linear correlations have been proposed for predicting the HHV of biomass fuels. A scrutiny of the relationships between the constituents of the proximate and ultimate analyses and the corresponding HHVs suggests that all relationships are not linear and thus nonlinear models may be more appropriate. Accordingly, a novel artificial intelligence (AI) formalism, namely genetic programming (GP) has been employed for the first time for developing two biomass HHV prediction models, respectively using the constituents of the proximate and ultimate analyses as the model inputs. The prediction and generalization performance of these models was compared rigorously with the corresponding multilayer perceptron (MLP) neural network based as also currently available high-performing linear and nonlinear HHV models. This comparison reveals that the HHV prediction performance of the GP and MLP models is consistently better than that of their existing linear and/or nonlinear counterparts. Specifically, the GP- and MLP-based models exhibit an excellent overall prediction accuracy and generalization performance with high (\> 0.95) magnitudes of the coefficient of correlation and low (\< 4.5 \%) magnitudes of mean absolute percentage error in respect of the experimental and model-predicted HHVs. It is also found that the proximate analysis-based GP model has outperformed all the existing high-performing linear biomass HHV prediction models. In the case of ultimate analysis-based HHV models, the MLP model has exhibited best prediction accuracy and generalization performance when compared with the existing linear and nonlinear models. The AI-based models introduced in this paper due to their excellent performance have the potential to replace the existing biomass HHV prediction models.
}, keywords = {Artificial intelligence, Artificial neural networks, Biomass fuels, genetic programming, Higher heating value, Multilayer perceptron}, issn = {1939-1234}, doi = {10.1007/s12155-013-9393-5}, author = {Ghugare, Suhas B. and Tiwary, S. and Elangovan, V. and Tambe, S. S.} } @article { ISI:000345826100018, title = {Preferential growth of Au on CdSe quantum dots using langmuir-blodgett technique}, journal = {RSC Advances}, volume = {4}, number = {110}, year = {2014}, month = {NOV}, pages = {64535-64541}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Oleyl amine capped CdSe quantum dots (QD) were synthesised by hot injection technique. These QDs formed a self-assembled monolayer on an aqueous subphase of a Langmuir-Blodgett (LB) trough. Here, in this report we introduced a simple but very efficient route to form a metal (Au)-QD hybrid nanostructure via the LB technique. In this method, the metal counterpart of the hybrid nanostructure could be deposited exclusively on one side of the QDs. The formation of stable monolayer of QDs was evidenced from a surface pressure-area (P-A) isotherm. The development of gold tip was confirmed and monitored by detailed TEM study on the monolayer deposited on TEM grids from the LB trough. Other characterizations like UV-Vis spectroscopy, FTIR, XPS and EDX also suggested the same. Oleyl amine was shown to act both as a reducing agent as well as a capping agent in this strategy.
}, issn = {2046-2069}, doi = {10.1039/c4ra11715h}, author = {Das, Subhasis and Satpati, Biswarup and Chauhan, Himani and Deka, Sasanka and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000342525100047, title = {Preparation and characterization of porous fly ash/NiFe2O4 composite: promising adsorbent for the removal of congo red dye from aqueous solution}, journal = {Materials Chemistry and Physics}, volume = {148}, number = {1-2}, year = {2014}, month = {NOV}, pages = {371-379}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
A series of fly ash/NiFe2O4 composites were prepared using fly ash and aqueous solutions of Ni, Fe nitrate salts and NaOH by co-precipitation followed by calcination method. The \% mass ratio of fly ash: NiFe2O4 was varied in the range of 0:100 to 100:0. Samples were characterized by powder XRD, SEM, FTIR and N-2 adsorption-desorption measurements. These samples were further evaluated for their adsorptive performance in removal of Congo red (CR) dye from an aqueous solution. In all the composites, spinel nickel ferrite phase was found to be capable to get anchored with the fly ash surface and exhibited more crystalline nature as compared to pure NiFe2O4 phase. The BET surface area and porous character of the composite were found to increase with the decrease in the contribution of the fly ash, reach to maximum and then decreases on further decrease in fly ash. The composite having \% mass ratio of fly ash: NiFe2O4 = 50:50 exhibited maximum CR adsorption from the aqueous solution on account of the higher BET surface area, more porous character, favorable condition for diffusion of dye molecules and combined effect of chemisorption and physisorption. Under optimum conditions, it has shown the recyclability with adsorption capacity of the magnitude 23.33 mg g(-1), which is much higher than individual fly ash, NiFe2O4 and other composites. The sorption data provided good fit with pseudo-second order kinetic model. The analyses of the adsorption data indicated that, the Langmuir model provides better correlation with the experimental data. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Adsorption, Composite material, Electron microscopy (SEM), Inorganic compounds, powder diffraction, Precipitation}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2014.07.057}, author = {Sonar, Shilpa K. and Niphadkar, Prashant S. and Mayadevi, S. and Joshi, Praphulla N.} } @article { ISI:000335757800015, title = {Preparation and characterization of silver particulate films on softened polystyrene and poly(4-vinylpyridine) blends}, journal = {Journal of Materials Science-Materials In Electronics}, volume = {25}, number = {6}, year = {2014}, month = {JUN}, pages = {2501-2506}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Results of the investigations carried out on the optical properties of silver particulate films deposited at a rate of 0.4 nm/s on softened polystyrene and poly(4-vinylpyridine) (P4VP) blends held at 455 K are reported. Under the conditions of deposition, a sub-surface particulate structure is expected. It had been shown earlier that the morphology of the sub-surface particulate structure is dependent on polymer-metal interaction. In the present studies, an inert polymer like polystyrene (PS) is blended with an interacting polymer P4VP. The optical studies on the silver particulate films deposited on softened blends of PS/P4VP have been carried out. The results show a shift in plasmon resonance to higher wavelength with increasing P4VP concentration of the blends in comparison to that of the films deposited on pure PS. An X-ray photoelectron spectroscopy study at two different electron take off angles indicates the formation of subsurface particulate structures for films deposited on blends.
}, issn = {0957-4522}, doi = {10.1007/s10854-014-1902-6}, author = {Gurumurthy, S. C. and Pattabi, Manjunatha and Krishna, Shreedhar and Gaikwad, A. B.} } @article {43305, title = {Preparation of pyrazole carboxylic acid analogues as anti-mycobacterial drug candidates}, number = {PCT/IB2014/060936}, year = {2014}, month = {OCT}, type = {Application}, abstract = {The present invention relates to the pyrazole carboxylic acid analogues of Formula (1) or stereoisomers, or esters or pharmaceutically acceptable salts thereof, as potent anti- mycobacterial agents. Formula Further it discloses the pharmaceutical composition comprising compounds of Formula-I for the treatment of mycobacterial infections.}, author = {Gajbhiye, Jayant M.} } @article { ISI:000332485000048, title = {Probing the folding induction ability of orthanilic acid in peptides: some observations}, journal = {RSC Advances}, volume = {4}, number = {25}, year = {2014}, month = {JAN}, pages = {13018-13025}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This paper describes the ability of orthanilic acid (2-aminobenzenesulfonic acid, (S)Ant) to promote folding when introduced in a peptide sequence. Three peptide sequences, containing orthanilic acid (SAnt) with a sulfonamide moiety in the turn segment, have been synthesized in the solution phase using suitable coupling agents, and their structural aspects investigated using NMR and X-ray crystallographic studies. Solid- and solution-state conformational analyses reveal that the peptide sequences containing orthanilic acid in their backbone exist in a folded conformation featuring long-range 15-membered ring H-bonding.
}, issn = {2046-2069}, doi = {10.1039/c3ra47039c}, author = {Roy, Arup and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000346322200011, title = {Process optimization by response surface methodology and kinetic modeling for synthesis of methyl oleate biodiesel over H3PW12O40 anchored montmorillonite K10}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {49}, year = {2014}, month = {DEC}, pages = {18690-18698}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Heterogeneous acid catalysts comprised of 1030\% (w/w) H3PW12O40 anchored to montmorillonite (K10) were used for synthesis of methyl oleate biodiesel by esterification of free fatty acid (oleic acid) with methanol in closed batch system. Response surface methodology (RSM) was employed to optimize esterification of oleic acid with methanol over 20\% (w/w) H3PW12O40/K-10. The effects of various process parameters such as catalyst loading, molar ratio, and reaction temperature on oleic acid conversion were addressed by BoxBehnken experimental design (BBD). Coefficient of determination (R-2) of this model was 0.996. 20\% (w/w) H3PW12O40/K-10 was proved to be potential catalyst with 100\% oleic acid conversion at optimized process parameters and with reusability of four cycles. Moreover, a second-order pseudohomogeneous (PH) kinetic model has been proposed and validated (R-2 \> 0.97) with experimental data. Kinetics confirmed that esterification reaction is performed in the kinetic regime due to high activation energy of 43.7 kJ mol(-1).
}, issn = {0888-5885}, doi = {10.1021/ie500672v}, author = {Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000351153700001, title = {Processable aromatic polyesters based on bisphenol derived from cashew nut shell liquid: synthesis and characterization}, journal = {Journal of Polymer Research}, volume = {21}, number = {12}, year = {2014}, month = {NOV}, pages = {617}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A new bisphenol viz., 4-(4-hydroxyphenoxy)-3-pentadecylphenol (HPPDP) was synthesized starting from cashew nut shell liquid (CNSL). Aromatic (co)polyesters containing ether linkages in the main chain and pendent pentadecyl chains were synthesized by the interfacial polycondensation of HPPDP with terephthalic acid chloride (TPC), isophthalic acid chloride (IPC) and a mixture of TPC and IPC (50: 50 mol \%) and by polycondenation of varying composition of HPPDP and bisphenol-A (BPA) with TPC. The resultant (co) polyesters exhibited inherent viscosities in the range 0.70-1.21 dL g(-1) and number-average molecular weights in the range 16,000-48,200 (GPC, polystyrene standard). Polyesters were soluble in common organic solvents such as chloroform and dichloromethane and could be cast into films from chloroform solution. Polyesters exhibited T-10 values in the range 430-455 degrees C and Tg values were in the range 29-202 degrees C. Dynamic mechanical storage modulus and maximum on transition of tan delta curve decreased with increased content of HPPDP in copolyesters. Importantly, the large difference between Tg and T-10 values offers the possibility to process these polyesters in the melt.
}, keywords = {Aromatic polyesters, Cashew nut shell liquid, pentadecyl, Polycondensation, processability, Thermal properties}, issn = {1022-9760}, doi = {10.1007/s10965-014-0617-y}, author = {Tawade, Bhausaheb V. and Salunke, Jagadish K. and Sane, Prakash S. and Wadgaonkar, Prakash P.} } @article { ISI:000340350900018, title = {Production of octyl levulinate biolubricant over modified H-ZSM-5: Optimization by response surface methodology}, journal = {Journal of Energy Chemistry}, volume = {23}, number = {4}, year = {2014}, month = {JUL}, pages = {535-541}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The present study highlighted the use of modified H-ZSM-5 (Meso-HZ-5) as heterogeneous catalyst for the synthesis of octyl levulinate biolubricant by catalytic esterification of biomass derived renewable levulinic acid (LA) with n-octanol. The process variables such as catalyst loading (X-1), n-octanol to LA molar ratio (X-2) and reaction temperature (X-3) were optimized through response surface methodology (RSM), using Box-Behnken model. Analysis of variance was performed to determine the adequacy and significance of the quadratic model. The yield of octyl levulinate was obtained to be 99\% at optimum process parameters. The developed quadratic model was found to be adequate and statistically accurate with correlation value (R-2) of 0.9971 to predict the yield of octyl levulinate biolubricant. The study was also extended on the validation of theoretical and experimental data, including catalyst reusability.
}, keywords = {biolubricant, Esterification, H-ZSM-5, levulinic acid, octyl levulinate, Response surface methodology}, issn = {2095-4956}, doi = {10.1016/S2095-4956(14)60182-0}, author = {Nandiwale, Kakasaheb Y. and Yadava, Sunil K. and Bokade, Vijay V.} } @article { ISI:000330417100005, title = {Proposing efficient new pendant group polymer electrolyte membranes for fuel cells: a computational study}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {2}, year = {2014}, month = {JAN}, pages = {784-795}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
There is a need to develop new membranes for fuel cells that can conduct protons with high efficiency and at high temperatures. This paper reports a theoretical study of proton transfer barriers in newly proposed polymer electrolyte membranes (PEMs), having pendant nitrogen containing crown ether groups on an alkyl backbone. The proton transfer in the proposed pendant group PEMs would occur without the need of an external agent such as water or phosphoric acid, and without the need for the pendant groups to rotate and reorient themselves after each proton transfer. The current study shows that this would make the proposed PEMs very efficient, with low proton transfer barriers. This has been seen to be true for a range of different PEM cases considered, differing in the number of linker atoms in the alkyl backbone and in the number of nitrogens contained in each pendant group, thus, indicating the potential of the proposed structures as PEMs for fuel cells.
}, issn = {1932-7447}, doi = {10.1021/jp4081349}, author = {Mane, Manoj V. and Vanka, Kumar} } @article {46405, title = {Protecting group free and scalable approach towards total synthesis of (-)-venlafaxine}, journal = {RSC Advances}, volume = {4}, year = {2014}, month = {FEB}, pages = {14468-14470}, type = {Article}, abstract = {
A protecting group free asymmetric total synthesis of (-)-venlafaxine is reported. The strategy employs Sharpless epoxidation and regio-selective epoxide ring opening by an in situ generated Gilman reagent as key steps. This paper reports a 53\% overall yield in 6 steps for total synthesis of (-)-venlafaxine.
}, issn = {2046-2069}, doi = {10.1039/c4ra00840e}, author = {Chavan, Subhash P. and Pawar, Kailash P. and Garai, Sumanta} } @article { ISI:000346161500008, title = {Protecting-group-free diastereoselective total synthesis of (+/-)-6-epi-cleistenolide and chemoenzymatic synthesis of (-)-6-epi-cleistenolide}, journal = {European Journal of Organic Chemistry}, number = {36}, year = {2014}, month = {DEC}, pages = {8049-8054}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A short, efficient, practical, and protecting-group-free diastereoselective total synthesis of (+/-)-6-epi-cleistenolide (1) has been achieved in five steps in 60\% overall yield. The use of a chemoenzymatic approach also gave (-)-6-epi-cleistenolide (1) (\>99.9\% ee). The Achmatowicz reaction, chemoselective oxidation of a hemiacetal, diastereoselective 1,3-anti reduction of alpha-hydroxy ketone, and enzymatic resolution of a 1,3-diol are the key features of this linear total synthesis. The synthetic strategy demonstrated in this paper could be extended for an asymmetric total synthesis of (-)-cleistenolide (1) and related biologically active natural products.
}, keywords = {Asymmetric synthesis, diastereoselectivity, Enzyme catalysis, Lipases, Oxygen heterocycles, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201403123}, author = {Mahajan, Pankaj S. and Gonnade, Rajesh G. and Mhaske, Santosh B.} } @article { ISI:000336464400074, title = {Protein mediated synthesis of Au-Ag bimetallic nanoparticles}, journal = {Materials Letters}, volume = {124}, year = {2014}, month = {JUN}, pages = {271-274}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
There is growing need to develop environment friendly method for synthesis of bimetallic nanoparticle that do not use toxic chemicals during their synthesis process. Here, we report synthesis of Au-Ag bimetallic nanoparticles by using macerase enzyme as reducing agent at different temperatures. Bimetallic nanoparticles were synthesized at 80 and 90 degrees C. The intensity of formation of nanoparticles was more at 80 degrees C. The bimetallic nanoparticles are characterized by using UV-vis, TEM and EDAX. The TEM study shows the inner gold and outer silver bimetallic nanoparticles. The formed nanoparticles are 4-20 nm in size and spherical in shape. EDAX confirms the formed bimetallic nanoparticles are of gold and silver. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Enzyme, Gold, Macerase, Particles, Silver, synthesis}, issn = {0167-577X}, doi = {10.1016/j.matlet.2014.03.087}, author = {Raju, D. and Mendapara, Ritul and Mehta, Urmil J.} } @article { ISI:000334421100007, title = {Protein-coated polymer as a matrix for enzyme immobilization: immobilization of trypsin on bovine serum albumin-coated allyl glycidyl ether-ethylene glycol dimethacrylate copolymer}, journal = {Biotechnology Progress}, volume = {30}, number = {2}, year = {2014}, month = {MAR}, pages = {317-323}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymer with 25\% crosslink density (AGE-25) shows excellent bovine serum albumin (BSA) adsorption (up to 16\% (w/w)) at pH 8.0 and the adsorbed BSA is strongly bound. This protein-coated polymer provides a novel matrix with naturally existing functional groups such as thiol, amino, and carboxylic acid that are available for covalent immobilization of functional enzymes. Employing appropriate strategies, trypsin as a model protein was covalently bound to BSA-coated matrix both independently, and in a stepwise manner on the same matrix, with less than 5\% loss of enzyme activity during immobilization. Glutaraldehyde crosslinking after immobilization provide stable enzyme preparation with activity of 510 units/g recycled up to six times without loss of enzyme activity. AFM studies reveal that the polymer surface has protein peaks and valleys rather than a uniform monolayer distribution of the protein and the immobilized enzyme preparation can best be described as polymer supported cross-linked enzyme aggregates (CLEAs). (c) 2014 American Institute of Chemical Engineers Biotechnol. Prog., 30:317-323, 2014
}, keywords = {allyl glycidyl ether, Bovine serum albumin, ethylene glycol dimethacrylate, Immobilization, Trypsin}, issn = {8756-7938}, doi = {10.1002/btpr.1871}, author = {Jasti, Lakshmi Swarnalatha and Dola, Sandhya Rani and Kumaraguru, Thenkrishnan and Bajja, Sreedhar and Fadnavis, Nitin W. and Addepally, Uma and Rajdeo, Kishor and Ponrathnam, Surendra and Deokar, Sarika Babasaheb} } @article {43330, title = {Proteomic analysis of human plasma in chronic rheumatic mitral stenosis reveals proteins involved in the complement and coagulation cascade}, journal = {Clinical Proteomics}, volume = {11}, year = {2014}, month = {SEP}, pages = {Article Number: 35}, abstract = {Background: Rheumatic fever in childhood is the most common cause of Mitral Stenosis in developing countries. The disease is characterized by damaged and deformed mitral valves predisposing them to scarring and narrowing (stenosis) that results in left atrial hypertrophy followed by heart failure. Presently, echocardiography is the main imaging technique used to diagnose Mitral Stenosis. Despite the high prevalence and increased morbidity, no biochemical indicators are available for prediction, diagnosis and management of the disease. Adopting a proteomic approach to study Rheumatic Mitral Stenosis may therefore throw some light in this direction. In our study, we undertook plasma proteomics of human subjects suffering from Rheumatic Mitral Stenosis (n = 6) and Control subjects (n = 6). Six plasma samples, three each from the control and patient groups were pooled and subjected to low abundance protein enrichment. Pooled plasma samples (crude and equalized) were then subjected to in-solution trypsin digestion separately. Digests were analyzed using nano LC-MSE. Data was acquired with the Protein Lynx Global Server v2.5.2 software and searches made against reviewed Homo sapiens database (UniProtKB) for protein identification. Label-free protein quantification was performed in crude plasma only. }, doi = {10.1186/1559-0275-11-35}, author = {Mukherjee, Somaditya and Jagadeeshaprasad, Mashanipalya G. and Banerjee, Tanima and Ghosh, Sudip K. and Biswas, Monodeep and Dutta, Santanu and Kulkarni, Mahesh J. and Pattari, Sanjib and Bandyopadhyay, Arun} } @article { ISI:000339880300021, title = {Proteomics of arsenic stress in the gram-positive organism Exiguobacterium sp PS NCIM 5463}, journal = {Applied Microbiology and Biotechnology}, volume = {98}, number = {15}, year = {2014}, month = {AUG}, pages = {6761-6773}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The general responses of microorganisms to environmental onslaughts are modulated by altering the gene expression pattern to reduce damage in the cell and produce compensating stress responses. The present study attempts to unravel the response of the Gram-positive Exiguobacterium sp. PS NCIM 5463 in the presence of [As(III)] and arsenate [As(V)] using comparative proteomics via two-dimension gel electrophoresis (2-DE) coupled with identification of proteins using matrix-assisted laser desorption/ionisation (MALDI-TOF/MALDI-TOF/TOF). Out of 926 Coomassie-stained proteins, 45 were differentially expressed (p \< 0.05). Considering the resolution and abundance level, 24 spots (peptides) were subjected to MALDI analysis, identified and categorised into several functional categories, viz., nitrogen metabolism, energy and stress regulators, carbohydrate metabolism, protein synthesis components and others. A functional role of each protein is discussed in Exiguobacterium sp. PS 5463 under arsenic stress and validated at their transcript level using a quantitative real-time polymerase chain reaction. Unlike previous reports that unravel the responses toward arsenic stress in Gram-negative organisms, the present study identified new proteins under arsenic stress in a Gram-positive organism, Exiguobacterium sp. PS NCIM 5463, which could elucidate the physiology of organisms under arsenic stress.
}, keywords = {Arsenic, Exiguobacterium, proteomics, Stress, Transcriptomics}, issn = {0175-7598}, doi = {10.1007/s00253-014-5873-6}, author = {Sacheti, Poonam and Patil, Rajendra and Dube, Ankita and Bhonsle, Hemangi S. and Thombre, Dipalee and Marathe, Sayali and Vidhate, Ravindra and Wagh, Priyanka and Kulkarni, Mahesh J. and Rapole, Srikanth and Gade, Wasudeo N.} } @article { ISI:000329791800007, title = {Pseudo-homogeneous kinetic model for esterification of acetic acid with propanol isomers over dodecatungstophosphoric acid supported on montmorillonite k10}, journal = {Journal of Physical Organic Chemistry}, volume = {27}, number = {2}, year = {2014}, month = {FEB}, pages = {121-127}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Esterification of acetic acid with propanol isomers such as isopropanol and naEuropropanol was carried out over dodecatungstophosphoric acid (DTPA), dodecamolybdophosphoric acid ammonium salt hydrate, and sodium tungstate hydrated purified supported on montmorillonite K10, which were characterized by powder XaEuroray diffraction, BrunaueraEuro{\textquoteright}EmmettaEuro{\textquoteright}Teller, and temperature programmed ammonia desorption. A pseudoaEurohomogeneous (PaEuroH) kinetic model was established for esterification of acetic acid with propanol isomers over DTPA supported on montmorillonite K10. Effects of various parameters such as reaction time, speed of agitation, particle size, temperature, percent catalyst loading, molar ratio and mixture of propanol isomer were investigated in detail. The 20\% (w/w) DTPA/K10 was found to be an optimum solid catalyst with 82\% naEuropropanol and 53\% isopropanol conversion with 100\% selectivity toward propyl acetate. The 20\% (w/w) DTPA/K10 catalyst was found to be reusable for three cycles. The reaction follows secondaEuroorder kinetics with activation energies of 25.53aEuro?kJaEuro?mol(a?{\textquoteright}1) and 28.15aEuro?kJaEuro?mol(a?{\textquoteright}1) for isopropanol and naEuropropanol, respectively. PseudoaEurohomogeneous kinetic model fitted with R-2 value of trend line 0.999. This implies that esterification reaction is kinetically controlled owing to high activation energy. Copyright a (c) 2013 John Wiley \& Sons, Ltd.
}, keywords = {Acetic acid, dodecatungstophosphoric acid, Esterification, kinetic model, montmorillonite K10}, issn = {0894-3230}, doi = {10.1002/poc.3249}, author = {Gurav, Hanumant R. and Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000345843700030, title = {Pt States in BaCe0.98Pt0.02O3-delta during start up and shut down operations under different conditions: stability and activity of ionic Pt in water gas shift reaction}, journal = {Catalysis Letters}, volume = {144}, number = {12}, year = {2014}, month = {DEC}, pages = {2227-2232}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Stability of Pt species in doped BaCeO3 perovskites under Water gas shift reaction conditions is studied using X-ray absorption spectroscopy and in situ powder X-ray diffraction. The catalyst BaCe0.98Pt0.02O3-delta has Pt in +2 oxidation state and is found to be stable in the ionic form under reaction conditions as well as under various highly reducing shut down and start up conditions. In-situ XRD under Water Gas shift reaction conditions also reveals the Pt ions to be highly stabilized in lattice and no egress is observed.
}, keywords = {BaCeO3, Deactivation, platinum, WGS reaction, XPS}, issn = {1011-372X}, doi = {10.1007/s10562-014-1378-2}, author = {Rajesh, Thattarathody and Devi, R. Nandini} } @article { ISI:000342328300031, title = {Pulsed laser-deposited MoS2 thin films on W and Si: field emission and photoresponse studies}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {18}, year = {2014}, month = {SEP}, pages = {15881-15888}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report field electron emission investigations on pulsed laser-deposited molybdenum disulfide (MoS2) thin films on W-tip and Si substrates. In both cases, under the chosen growth conditions, the dry process of pulsed laser deposition (PLD) is seen to render a dense nanostructured morphology of MoS2, which is important for local electric field enhancement in field emission application. In the case of the MoS2 film on silicon (Si), the turn-on field required to draw an emission current density of 10 mu A/cm(2) is found to be 2.8 V/mu m. Interestingly, the MoS2 film on a tungsten (W) tip emitter delivers a large emission current density of similar to 30 mA/cm(2) at a relatively lower applied voltage of similar to 3.8 kV. Thus, the PLD-MoS2 can be utilized for various field emission-based applications. We also report our results of photodiode-like behavior in (n- and p- type) Si/PLDMoS2 heterostructures. Finally we show that MoS2 films deposited on flexible kapton substrate show a good photoresponse and recovery. Our investigations thus hold great promise for the development of PLD MoS2 films in application domains such as field emitters and heterostructures for novel nanoelectronic devices.
}, keywords = {field emission, MoS2, photodiode heterostructures, pulsed laser deposition, thin film}, issn = {1944-8244}, doi = {10.1021/am503464h}, author = {Late, Dattatray J. and Shaikh, Parvez A. and Khare, Ruchita T. and Kashid, Ranjit V. and Chaudhary, Minakshi V. and More, Mahendra A. and Ogale, Satishchandra B.} } @article { ISI:000343750700045, title = {Pyrene based conjugated materials: synthesis, characterization and electroluminescent properties}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {42}, year = {2014}, month = {NOV}, pages = {23320-23328}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In this work, three novel pyrene cored small conjugated molecules, namely 1,3,6,8-tetrakis(6-(octyloxy)naphthalene-2-yl) pyrene (PY-1), 1,3,6,8-tetrakis((E)-2-(6-(n-octyloxy) naphthalene-2-yl) vinyl) pyrene (PY-2) and 1,3,6,8-tetrakis((6-(n-octyloxy) naphthalene-2-yl) ethynyl) pyrene (PY-3) have been synthesized by Suzuki, heck and Sonogashira organometallic coupling reactions, respectively. The effects of single, double and triple bonds on their optical, electrochemical, and thermal properties are studied in detail. These all materials are fluorescent and they have been used in organic light-emitting diodes (OLEDs) and their electroluminescent properties have been studied.
}, issn = {1463-9076}, doi = {10.1039/c4cp03693j}, author = {Salunke, Jagadish K. and Sonar, Prashant and Wong, F. L. and Roy, V. A. L. and Lee, C. S. and Wadgaonkar, Prakash P.} } @article { ISI:000339628400010, title = {Quantitative evaluation of the ability of ionic liquids to offset the cold-induced unfolding of proteins}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {30}, year = {2014}, month = {JUN}, pages = {15806-15810}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Significant non-reversible two-state denaturation was observed for proteins such as myoglobin (Mb) and alpha-chymotrypsin (CT) with decreasing temperature in the presence of 1-butyl-3-methylimidazolium-based ([C(4)mim]X-+(-)) ionic liquids (ILs) with various anions (X-). Interestingly, for the first time, ILs having acetate and bromide anions were proven to counteract the cold-induced unfolding of proteins.
}, issn = {1463-9076}, doi = {10.1039/c4cp01001a}, author = {Kumar, Awanish and Rani, Anjeeta and Venkatesu, Pannuru and Kumar, Anil} } @article { ISI:000328892300038, title = {Quantum confinement controlled solar hydrogen production from hydrogen sulfide using a highly stable CdS0.5Se0.5/CdSe quantum dot-glass nanosystem}, journal = {Nanoscale}, volume = {6}, number = {2}, year = {2014}, month = {OCT}, pages = {908-915}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We have demonstrated unique CdS0.5Se0.5 and CdSe quantum dot-glass nanosystems with quantum confinement effect. The stable, monodispersed CdS0.5Se0.5 and CdSe quantum dots (QDs) of size 2 to 12 nm have been grown in a germanate glass matrix by a simple melt quench technique at moderate temperature. XRD and Raman studies show formation of hexagonal CdS0.5Se0.5 and CdSe in the glass matrix. The quantum confinement of CdS0.5Se0.5 and CdSe was studied using TEM and UV-Vis spectroscopy. The band gap of the glass nanosystem was tuned from 3.6 to 1.8 eV by controlling the CdS0.5Se0.5 quantum dot size in the glass matrix. It can be further tuned to 1.68 eV using growth of CdSe quantum dots in the glass matrix. Considering the tuneable band gap of the CdS0.5Se0.5 and CdSe quantum dot-glass nanosystem for the visible light absorption, a study of size tuneable photocatalytic activity for hydrogen generation from hydrogen sulfide splitting was performed under visible light irradiation for the first time. The utmost hydrogen evolution, i.e. 8164.53 and 7257.36 mu mol h(-1) g(-1) was obtained for the CdS0.5Se0.5 and CdSe quantum dot-glass nanosystems, respectively. The apparent quantum yield (AQY) was observed to be 26\% and 21\% for the CdS0.5Se0.5 and CdSe quantum dot-glass nanosystems, respectively. It is noteworthy that the present glass nanosystem as a photocatalyst was found to be very stable as compared to naked powder photocatalysts.
}, issn = {2040-3364}, doi = {10.1039/c3nr04898e}, author = {Apte, Sanjay K. and Garaje, Sunil N. and Naik, Sonali D. and Waichal, Rupali P. and Baeg, Jin-Ook and Kale, Bharat B.} } @article { ISI:000340514500021, title = {Quantum dot-decorated silicon nanowires as efficient photoelectrodes for photoelectrochemical hydrogen generation}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {33}, year = {2014}, month = {SEP}, pages = {13352-13358}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Quantum dot-decorated wide band gap semiconductors, such as TiO2, ZnO, SnO2, etc., which have electron mobilities of less than 200 cm(2) V-1 S-1 have been well studied as the photoelectrodes for photovoltaics and photoelectrochemical water splitting. Herein, we report CdSe quantum dot decorated-silicon nanowires (SiNWs) as photoelectrodes for photoelectrochemical water splitting. SiNWs have a comparatively higher electron mobility than metal oxides. A photocurrent density of around 6.1 mA cm(-2) was obtained for the CdSe/SiNWs photoelectrode, which is nearly five times higher than that for SiNWs alone and which also shows a good transient photocurrent response. The band energy level alignment was also studied between Si and CdSe by observing the corresponding flat band potentials from a Mott-Schottky analysis.
}, issn = {2050-7488}, doi = {10.1039/c4ta02775b}, author = {Devarapalli, Rami Reddy and Kamaja, Chaitanya Krishna and Shelke, Manjusha V.} } @article { ISI:000340446300077, title = {Random copolyesters containing perylene bisimide: flexible films and fluorescent fibers}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {15}, year = {2014}, month = {AUG}, pages = {12457-12466}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Random copolyesters of poly(L-lactic acid) (PLLA) and [poly-(1,4-cyclohexylenedimethylene-1,4- cyclohexanedicarboxylate)] (PCCD) incorporating varying mol ratios of perylene bisimide (PBI) were developed via a high-temperature solution-blending approach. PCCD incorporating PBI was developed by melt polycondenzation followed by a polyester-polyester transesterification reaction between PCCD PBI and PLLA. The polymers exhibited good solubility in common organic solvents and formed free-standing films, which showed bright red emission upon irradiation with ultraviolet radiation. A solid state fluorescence quantum yield of 10\% was observed for this PBI based polyester, which was much higher than that reported in literature for PBI based polymers in the solid state (\<1\%). Strong red fluorescent nanofibers of these polymers were successfully constructed by electrospinning technique. A random copolyester incorporating donor based on oligo(p-pheneylenevinylene) (OPV) and PBI as acceptor chromophore was also synthesized and fluorescence microscopy images of the electrospun fibers of this polymer exhibited blue, green and red emission upon excitation at different wavelengths. The high temperature solution blending approach involving a high molecular weight polymer and a suitably functionalized it conjugated molecule described here is a unique method by which 1D nanostructures of a wide range of pi-conjugated chromophores could be fabricated having strong fluorescence, with the scope of application in nanoscale optoelectronics, biological devices, as well as sensing.
}, keywords = {flexible film, fluorescent nanofibers, luminescent film, oligo(p-phenylenevinylene), perylene bisimide}, issn = {1944-8244}, doi = {10.1021/am502248u}, author = {Nisha, S. Kumari and Asha, S. K.} } @article { ISI:000342719500042, title = {Rapid access to benzoxaphospholes and their spiro analogues by a three-component coupling involving arynes, phosphines, and activated ketones}, journal = {Organic Letters}, volume = {16}, number = {19}, year = {2014}, month = {OCT}, pages = {5132-5135}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An operationally simple multicomponent coupling involving in situ generated arynes from 2 (trimethylsilyl)aryl triflates, phosphines, and various acyclic and cyclic activated carbonyl compounds has been developed. The reaction proceeds via a formal [3 + 2] cycloaddition mode giving access to differently substituted (spiro)benzoxaphosphole derivatives in moderate to good yields Mild reaction conditions. a broad scope. and the possibility of varying all the three-components are the notable features of the present reaction.
}, issn = {1523-7060}, doi = {10.1021/ol502490t}, author = {Bhunia, Anup and Roy, Tony and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000336442600003, title = {Rapid efficient synthesis and characterization of silver, gold, and bimetallic nanoparticles from the medicinal plant plumbago zeylanica and their application in biofilm control}, journal = {International Journal of Nanomedicine}, volume = {9}, year = {2014}, month = {MAY}, pages = {2635-2653}, publisher = {DOVE MEDICAL PRESS LTD}, address = {PO BOX 300-008, ALBANY, AUCKLAND 0752, NEW ZEALAND}, abstract = {
Background: Nanoparticles (NPs) have gained significance in medical fields due to their high surface-area-to-volume ratio. In this study, we synthesized NPs from a medicinally important plant - Plumbago zeylanica. Materials and methods: Aqueous root extract of P. zeylanica (PZRE) was analyzed for the presence of flavonoids, sugars, and organic acids using high-performance thin-layer chromatography (HPTLC), gas chromatography-time of flight-mass spectrometry (GC-TOF-MS), and biochemical methods. The silver NPs (AgNPs), gold NPs (AuNPs), and bimetallic NPs (AgAuNPs) were synthesized from root extract and characterized using ultraviolet-visible spectra, X-ray diffraction (XRD), energy-dispersive spectrometry (EDS), transmission electron microscopy (TEM), and dynamic light scattering (DLS). The effects of these NPs on Acinetobacter baumannii, Staphylococcus aureus, and Escherichia coli biofilms were studied using quantitative biofilm inhibition and disruption assays, as well as using fluorescence, scanning electron microscopy, and atomic force microscopy. Results: PZRE showed the presence of phenolics, such as plumbagin, and flavonoids, in addition to citric acid, sucrose, glucose, fructose, and starch, using HPTLC, GC-TOF-MS, and quantitative analysis. Bioreduction of silver nitrate (AgNO3) and chloroauric acid (HAuCl4) were confirmed at absorbances of 440 nm (AgNPs), 570 nm (AuNPs), and 540 nm (AgAuNPs), respectively. The maximum rate of synthesis at 50 degrees C was achieved with 5 mM AgNO3 within 4.5 hours for AgNPs; and with 0.7 mM HAuCl4 within 5 hours for AuNPs. The synthesis of AgAuNPs, which completed within 90 minutes with 0.7 mM AgNO3 and HAuCl4, was found to be the fastest. Fourier-transform infrared spectroscopy confirmed bioreduction, while EDS and XRD patterns confirmed purity and the crystalline nature of the NPs, respectively. TEM micrographs and DLS showed about 60 nm monodispersed Ag nanospheres, 20-30 nm Au nanospheres adhering to form Au nanotriangles, and about 90 nm hexagonal blunt-ended AgAuNPs. These NPs also showed antimicrobial and antibiofilm activity against E. coli, A. baumannii, S. aureus, and a mixed culture of A. baumannii and S. aureus. AgNPs inhibited biofilm in the range of 96\%-99\% and AgAuNPs from 93\% to 98\% in single-culture biofilms. AuNPs also showed biofilm inhibition, with the highest of 98\% in S. aureus. AgNPs also showed good biofilm disruption, with the highest of 88\% in A. baumannii. Conclusion: This is the first report on rapid and efficient synthesis of AgNPs, AuNPs and AgAuNPs from P. zeylanica and their effect on quantitative inhibition and disruption of bacterial biofilms.
}, keywords = {AgAuNPs, AgNPs, AuNPs, biofilm inhibition and disruption, GC-TOF-MS, P. zeylanica}, issn = {1178-2013}, doi = {10.2147/IJN.S59834}, author = {Salunke, Gayatri R. and Ghosh, Sougata and Kumar, R. J. Santosh and Khade, Samiksha and Vashisth, Priya and Kale, Trupti S. and Chopade, Snehal and Pruthi, Vikas and Kundu, Gopal and Bellare, Jayesh R. and Chopade, Balu Ananda} } @article { ISI:000336045800018, title = {Rationalizing the role of structural motif and underlying electronic structure in the finite temperature behavior of atomic clusters}, journal = {Journal of Chemical Physics}, volume = {140}, number = {15}, year = {2014}, month = {APR}, pages = {154307}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Melting in finite size systems is an interesting but complex phenomenon. Many factors affect melting and owing to their interdependencies it is a challenging task to rationalize their roles in the phase transition. In this work, we demonstrate how structural motif of the ground state influences melting transition in small clusters. Here, we report a case with clusters of aluminum and gallium having same number of atoms, valence electrons, and similar structural motif of the ground state but drastically different melting temperatures. We have employed Born-Oppenheimer molecular dynamics to simulate the solid-like to liquid-like transition in these clusters. Our simulations have reproduced the experimental trends fairly well. Further, the detailed analysis of isomers has brought out the role of the ground state structure and underlying electronic structure in the finite temperature behavior of these clusters. For both clusters, isomers accessible before cluster melts have striking similarities and does have strong influence of the structural motif of the ground state. Further, the shape of the heat capacity curve is similar in both the cases but the transition is more spread over for Al-36 which is consistent with the observed isomerization pattern. Our simulations also suggest a way to characterize transition region on the basis of accessibility of the ground state at a specific temperature. (C) 2014 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4871118}, author = {Susan, Anju and Joshi, Kavita} } @article { ISI:000342254500047, title = {Reaction between lawsone and aminophenol derivatives: synthesis, characterization, molecular structures and antiproliferative activity}, journal = {Journal of Molecular Structure}, volume = {1075}, year = {2014}, month = {OCT}, pages = {397-405}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Reaction between two bioreductive reactants lawsone (2-hydroxy-1,4-napthoquinone) and derivatives 2-aminophenol without catalyst is reported. The reaction between lawsone and 4-chloro-2-aminophenol leads to formation of red colored major product 1A:[2-[(5-chloro-hydroxyphenyl)amino]naphthalene-1,4-dione] and fluorescent orange colored minor compound 1B:[10-chloro-benzo[alpha]phenoxazine-5-one]. Molecular structure of 1A and 1B were determined by single crystal X-ray diffraction. Two mechanisms were proposed to the formation of red 1A and 1B. {\textquoteleft}Ortho-para{\textquoteright} tautomeric equilibrium was observed in DMSO-d(6) solution in 1A, which was revealed by H-1, C-13 NMR and LC-MS studies. Molecules of 1A formed dimers via N-H center dot center dot center dot O interaction and polymeric chain of dimers was formed by OH center dot center dot center dot O interactions. Cl center dot center dot center dot Cl interactions were observed between the polymeric chains of dimers in 1A. Molecules of 1B show Cl center dot center dot center dot N interaction. Antiproliferative properties is studied for 1A-5A compounds (obtained by the reaction of lawsone with 2-amino-4-methylpheno1;2A, 2-aminopheno1;3A, 3-aminophenol;4A and 4-aminophenol;5A) and evaluated against two cancer cell lines, THP1 (human monocytic leukemia cells) and COLO205 (colorectal adenocarcinoma) and one normal cell line, HEK293T (human embryonic kidney). The values of 50\% inhibitory concentration (IC50) of compounds 1A-5A was determined using XTT assay. The cytotoxic effects of compounds 2A and 3A were observed against COLO205 and compounds 4A and 5A on THP1 were observed to be higher in comparison to their effect on HEK293T cell lines. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Aminonaphthoquinone, Aminophenol, Benzo[alpha]phenoxazine, Cl center dot center dot center dot N interactions, Lawsone, pi-pi stacking interaction}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2014.07.007}, author = {Kathawate, Laxmi and Joshi, Pranya V. and Dash, Tapan Kumar and Pal, Sanjima and Nikalje, Milind and Weyhermueller, Thomas and Puranik, Vedavati G. and Konkimalla, V. Badireenath and Salunke-Gawali, Sunita} } @article { ISI:000329385800009, title = {Reaction kinetics and modeling of photoinitiated cationic polymerization of an alicyclic based diglycidyl ether}, journal = {Nuclear Instruments \& Methods in Physics Research Section B-Beam Interactions with Materials and Atoms}, volume = {318}, number = {B}, year = {2014}, month = {JAN}, pages = {263-268}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Photoinitiated cationic polymerization of cycloaliphatic diepoxides had received tremendous attention, while studies with lesser polymerizable diglycidyl ethers are comparatively less reported. The present work deals with the photoinitiated cationic polymerization of cyclohexane dimethanol diglycidyl ether followed by estimation of kinetic parameters. The effects of concentration of photoinitiator and temperature on curing performance were studied using photo differential scanning calorimeter or photo DSC with polychromatic radiation. It was observed that the rate of polymerization as well as ultimate conversion increased with increasing concentration of photoinitiator and temperature. The influences of gelation as well as diffusional restrictions have remarkable effect on cure performance. The kinetic parameters as per autocatalytic kinetic model were studied by Levenberg-Marquardt nonlinear regression method instead of conventional linear method for obtaining more accurate values of apparent rate constant. It was observed that the model fits with data from initial stages to almost towards the end of the reaction. The activation energy was found to be higher than the values reported for more reactive cycloaliphatic diepoxides. The value of pre-exponential factor increased with increase in activation energy showing influence of gelation at early stages of reaction. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Autocatalytic model, kinetics, Levenberg-Marquardt method, Photopolymerization}, issn = {0168-583X}, doi = {10.1016/j.nimb.2013.10.004}, author = {Harikrishna, Reghunathan and Ponrathnam, S. and Tambe, S. S.} } @article { ISI:000344439400007, title = {Regioselective acylation of 2-methoxy naphthalene catalyzed by supported 12-phosphotungstic acid}, journal = {Applied Catalysis A-General}, volume = {486}, year = {2014}, month = {SEP}, pages = {55-61}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
12-Phosphotungstic acid supported on silica gel, zirconium sulfate, and a combination of silica gel and zirconium sulfate (50\% w/w) were employed as solid acid catalysts for regioselective acylation of 2-methoxynaphtalene with acetic anhydride. 1-(6-Methoxynaphthalen-2-yl)ethanone (2,6-AMN), a commercially important intermediate for production of Naproxen, was obtained with excellent selectivity (\>98\%) at 67-68\% conversion using 12-phosphotungstic acid supported on silica gel 20\% (w/w) in refluxing tetrachloroethane. The unreacted starting material can be easily separated from the product by a simple crystallization from nonane. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Acylation, Naproxen, Phosphotungstic acid, Silica gel, Supported, Zirconium sulfate}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.08.026}, author = {Kumaraguru, Thenkrishnan and Devi, Ayala Vedamayee and Siddaiah, Vidavalur and Rajdeo, Kishor and Fadnavis, Nitin W.} } @article {46363, title = {Relativistic equation-of-motion coupled-cluster method: application to closed-shell atomic systems}, journal = {Physical Review Applied}, volume = {89}, year = {2014}, month = {APR }, pages = {042510}, type = {Article}, abstract = {
We report our successful implementation of the relativistic equation-of-motion coupled-cluster (EOMCC) method. This method is employed to compute the principal ionization potentials (IPs) of closed-shell rare-gas atoms, He-like ions, Be-like ions, along with Na+, Al+, K+, Be, andMg. Four-component Dirac spinors are used in the calculations, and the one-and two-electron integrals are evaluated using the Dirac-Coulomb Hamiltonian. Our results are in excellent agreement with available measurements, which are taken from the National Institute of Science and Technology database. The accuracies of the calculations are estimated to be within one half of a percent for He-like and Be-like ions and 1\% for the heavier systems. We also present results using the second-order many-body perturbation theory and random-phase approximation in the EOMCC framework. These results are compared with those of EOMCC at the level of single and double excitations in order to assess the role of the electron correlation effects in the intermediate schemes considered in our calculations.
}, issn = {2469-9926}, doi = {10.1103/PhysRevA.89.042510}, author = {Pathak, Himadri and Sahoo, B. K. and Das, B. P. and Vaval, Nayana and Pal, Sourav} } @article {42640, title = {Relativistic equation-of-motion coupled-cluster method for the double-ionization potentials of closed-shell atoms}, journal = {Physical Review A}, volume = {90}, year = {2014}, month = {JUL}, pages = {Article No. 010501}, doi = {10.1103/PhysRevA.90.010501}, author = {Pathak, Himadri and Ghosh, Aryya and Sahoo, B. K. and Das, B. P. and Vaval, Nayana and Pal, Sourav} } @article { ISI:000346385900016, title = {Relativistic equation-of-motion coupled-cluster method for the ionization problem: application to molecules}, journal = {Physical Review A}, volume = {90}, number = {6}, year = {2014}, month = {DEC}, pages = {Article No. 062501}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
We report the implementation of the four-component spinor relativistic equation-of-motion (EOM) coupled-cluster method within the single- and double-excitation approximation to calculate the ionization potential of molecules. We have applied this method to calculate vertical ionization potentials of the molecules XH (X = F, Cl, Br, I) along with Cl-2 and Br-2 in their closed-shell configuration. We have also presented intermediate results using the second-order many-body perturbation-theory level in the EOM framework to understand the role of electron correlation. All the calculated values are compared with the available experimental results. Our results are found to be in good agreement with sophisticated experiments, and relative deviation of less than 1\% is achieved for all the considered systems.
}, issn = {1050-2947}, doi = {10.1103/PhysRevA.90.062501}, author = {Pathak, Himadri and Sasmal, Sudip and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article { ISI:000341976100014, title = {Relativistic spectroscopy of plasma-embedded Li-like systems with screening effects in two-body Debye potentials}, journal = {Journal of Physics B-Atomic Molecular and Optical Physics}, volume = {47}, number = {17}, year = {2014}, month = {SEP}, pages = {175701}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
The spectroscopic properties of Li atoms and Li-like Ca and Ti ions in the plasma environment are investigated using a relativistic coupled-cluster (RCC) method. Assuming that the plasma is of low density and very hot, we consider the Debye model with two approximations to account for the screening effects: (i) in the nuclear potential alone and (ii) in both the nuclear and the electron-electron interaction potentials. Also, calculations for the energies and the lifetimes of the atomic states are carried out for plasma-free systems to check their accuracy, after which they are investigated in the plasma environment. It is observed that screenings in the electron-electron interaction potentials stabilize the systems more than when the screenings are present only in the nuclear potential. Similarly, the blue and red shifts in the Delta n = 0 and Delta n not equal 0 transition lines (with the principal quantum number n) of the Li-like ions observed in the (i) approximation are altered in the (ii) approximation. The level crossings among the energy levels are observed for large screening effects and are found to be prominent in the states of higher orbital angular momentum. The lifetimes of many low-lying states of the allowed transitions are estimated by considering different plasma screening strengths.
}, keywords = {atomic Spectroscopy, Debye model, relativistic method}, issn = {0953-4075}, doi = {10.1088/0953-4075/47/17/175701}, author = {Das, Madhulita and Sahoo, B. K. and Pal, Sourav} } @article { ISI:000327236600002, title = {Remarkable efficiency of a pin-II proteinase inhibitor sans two conserved disulfide bonds is due to enhanced flexibility and hydrogen bond density in the reactive site loop}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {32}, number = {1}, year = {2014}, month = {JAN}, pages = {13-26}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
Capsicum annuum (L.) expresses diverse potato type II family proteinase inhibitors comprising of inhibitory repeat domain (IRD) as basic functional unit. Most IRDs contain eight conserved cysteines forming four disulfide bonds, which are indispensible for their stability and activity. We investigated the functional significance of evolutionary variations in IRDs and their role in mediating interaction between the inhibitor and cognate proteinase. Among the 18 IRDs encoded by C. annuum, IRD-7, -9, and -12 were selected for further characterization on the basis of variation in their reactive site loop, number of conserved cysteine residues, and higher theoretical G(bind) for interaction with Helicoverpa armigera trypsin. Moreover, inhibition kinetics showed that IRD-9, despite loss of some of the disulfide bonds, was a more potent proteinase inhibitor among the three selected IRDs. Molecular dynamic simulations revealed that serine residues in the place of cysteines at seventh and eighth positions of IRD-9 resulted in an increase in the density of intramolecular hydrogen bonds and reactive site loop flexibility. Results of the serine residues chemical modification also supported this observation and provided a possible explanation for the remarkable inhibitory potential of IRD-9. Furthermore, this natural variant among IRDs showed special attributes like stability to proteolysis and synergistic inhibitory effect on other IRDs. It is likely that IRDs have coevolved selective specialization of their structure and function as a response towards specific insect proteases they encountered. Understanding the molecular mechanism of pest protease-plant proteinaceous inhibitor interaction will help in developing effective pest control strategies.An animated interactive 3D complement (I3DC) is available in Proteopedia at http://proteopedia.org/w/Journal:JBSD:39
}, keywords = {Capsicum annuum, Helicoverpa armigera, Proteases, Proteinase inhibitor}, issn = {0739-1102}, doi = {10.1080/07391102.2012.745378}, author = {Joshi, Rakesh S. and Mishra, Manasi and Tamhane, Vaijayanti A. and Ghosh, Anirban and Sonavane, Uddhavesh and Suresh, C. G. and Joshi, Rajendra and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000339661100021, title = {Remote trap passivation in colloidal quantum dot bulk nano-heterojunctions and its effect in solution-processed solar cells}, journal = {Advanced Materials}, volume = {26}, number = {27}, year = {2014}, month = {JUL}, pages = {4741+}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
More-efficient charge collection and suppressed trap recombination in colloidal quantum dot (CQD) solar cells is achieved by means of a bulk nano-heterojunction (BNH) structure, in which p-type and n-type materials are blended on the nanometer scale. The improved performance of the BNH devices, compared with that of bilayer devices, is displayed in higher photocurrents and higher open-circuit voltages (resulting from a trap passivation mechanism).
}, issn = {0935-9648}, doi = {10.1002/adma.201400297}, author = {Rath, Arup Kumar and Pelayo Garcia de Arquer, F. and Stavrinadis, Alexandros and Lasanta, Tania and Bernechea, Maria and Diedenhofen, Silke L. and Konstantatos, Gerasimos} } @article { ISI:000343747200015, title = {Removal of carbonate ion through cellulose fiber supported solid membrane}, journal = {Journal of Engineered Fibers and Fabrics}, volume = {9}, number = {2}, year = {2014}, month = {JAN}, pages = {120-126}, publisher = {INDA}, type = {Article}, address = {PO BOX 1288, CARY, NC 27512-1288 USA}, abstract = {
A novel fiber supported solid membrane was prepared by chemical modification of cellulose fiber with tartaric acid, 8-hydroxyquinoline and magnesium carbonate for removal of bicarbonate ion. Loading effect of tartaric acid, magnesium metal ion and 8-hydroxyquinoline over cellulose fiber was studied for removal of carbonate ion. The selective removal of carbonate, sulfate, phosphate, and nitrate ions through fiber supported solid membrane was investigated. The removal of carbonate ion with/without bubbling of CO2 was determined in source and receiving phases.
}, issn = {1558-9250}, author = {Gaikwad, Abaji G.} } @article { ISI:000343023900010, title = {Resistance through inhibition: ectopic expression of serine protease inhibitor offers stress tolerance via delayed senescence in yeast cell}, journal = {Biochemical and Biophysical Research Communications}, volume = {452}, number = {3}, year = {2014}, month = {SEP}, pages = {361-368}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Protease inhibitors have been known to confer multiple stress tolerance in transgenic plants. We have assessed growth of yeast (Pichia pastoris GS115) strains expressing inhibitory repeat domains (PpIRD(+)) of previously characterized Capsicum annuum protease inhibitors under high salt, heavy metal and oxidative stress. PpIRD(+) strains exhibited multiple stress tolerance and showed differential molecular responses at transcriptional and translational level on exposure to stress inducing agents like heavy metal, high salt and H2O2. PpIRD(+) strains display significant reduction in metacaspase (Yca1) activity, the key enzyme in apoptosis, indicates the possibility of cross reactivity of IRDs (serine protease inhibitor) with cysteine proteases. PpIRD(+) and Saccharomyces cerevisiae knockout with Yca1 (Delta Yca1) strain showed similar growth characteristics under stress, which indicated the delayed senescence due to cellular metacaspase inhibition. Molecular docking study showed a close proximity of IRDs reactive site and the active site of metacaspase in the complex that signified their strong interactions. Maintenance of GAPDH activity, primary target of metacaspase, in PpIRD(+) strain evidenced the inhibition of metacaspase activity and survival of these cells under stress. This report demonstrates a potential molecular mechanism of protease inhibitor-based multiple stress tolerance in yeast strains. (C) 2014 Elsevier Inc. All rights reserved.
}, keywords = {Metacaspase, Multiple stress tolerance, protease inhibitor, Yeast}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2014.08.075}, author = {Joshi, Rakesh S. and Tanpure, Rahul S. and Singh, Rajan Kumar and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000347498500067, title = {Resistance to ionic pt insertion in oxygen excess LaMnO3 perovskite lattices and its effect in water gas shift reaction}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {395}, year = {2014}, month = {DEC}, pages = {534-542}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Pt doped and impregnated LaMnO3 perovskites are synthesized at different temperatures and Pt and Mn states are compared in an attempt to get insight into extent of lattice incorporation of Pt in perovskite. Various characterization studies indicate that oxygen excess system like LaMnO3 presents substantial resistance to B site doping with Pt. This behavior is different from other oxygen deficient perovskites like LaCoO3 and LaFeO3 in which lattice incorporation stabilizes the active species against sintering. Water gas shift reaction was used as a probe reaction to understand the effect of this difference in the activity. In case of LaMnO3, failure in lattice substitution leads to sintering and deactivation at high synthesis temperatures (\>= 700 degrees C) in both impregnated and doped samples. In doped samples, however, a strong interaction of Pt species with a persistent amorphous phase prevents sintering at lower synthesis temperature thereby enhancing the activity when compared to impregnated sample. The study reveals a possible mechanism in which only Pt(0) species is active with perovskite playing a minimal role in this system due to the resistance to lattice incorporation. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Oxygen excess, Perovskites, Water gas shift reaction, XPS, XRD}, issn = {1381-1169}, doi = {10.1016/j.molcata.2014.08.042}, author = {Rajesh, Thattarathody and Devi, R. Nandini} } @article { ISI:000342883100029, title = {Rhodococcus enclensis sp nov., a novel member of the genus rhodococcus}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {64}, number = {8}, year = {2014}, month = {AUG}, pages = {2693-2699}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {
A novel actinobacterial strain, designated, NIO-1009(T), was isolated from a marine sediment sample collected from Chorao Island, Goa, India. Phylogenetic analysis comparisons based on 16S rRNA gene sequences between strain MO-1009(T) and other members of the genus Rhodococcus revealed that strain NI0-1009(T) had the closest sequence similarity to Rhodococcus kroppenstedtii DSM 44908(T) and Rhodococcus corynebacterioides DSM 20151(T) with 99.2 and 99.1\%, respectively. Furthermore, DNA-DNA hybridization results showed that R. kroppenstedtii DSM 44908(T) and R. corynebacterioides DSM 20151(T) were 39.5 (3.0\%) and 41.7 (2.0\%) with strain NIO-1009(T), respectively, which were well below the 70\% limit for any novel species proposal. Phylogenetically strain NIO-1009(T) forms a stable clade with and R. kroppenstedtii DSM 44908(T) and R. corynebacterioides DSM 201511 with 100\% bootstrap values. Strain NI-1009(T) contained meso-diaminopimelic acid as the diagnostic diamino acid and galactose and arabinose as the cell wall sugars. The major fatty acids were C-16:0, C-18:1 omega 9c, C-16:1(omega 6C and/or omega 7c) and 10-methyl C-18:0. The only menaquinone detected was MK-8(H-2), while the major polar lipids were diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol, phosphatidylinositol, phosphatidylinositol mannoside and one unknown phospholipid. The G + C content of the genomic DNA was 66.9 molok. The phenotypic and genotypic data showed that strain NIO-1009(T) warrants recognition as a novel species of the genus Rhodococcus for which the name Rhodococcus enclensis sp. nov., is proposed; the type strain is NIO-1009(T) (=NCIM 5452(T)=DSM 45688(T)).
}, issn = {1466-5026}, doi = {10.1099/ijs.0.061390-0}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Tang, Shan-Kun and Krishnamurthi, Srinivasan and Ramana, V. Venkata and Joseph, Neeta and Shouche, Yogesh S.} } @article { ISI:000327155500005, title = {Role of additives in chiral amine-catalyzed direct aldol reaction}, journal = {Synthetic Communications}, volume = {44}, number = {3}, year = {2014}, month = {FEB}, pages = {352-360}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {
A systematic study of chiral adducts derived from amines as catalysts for aldol reaction revealed that enantioselective outcome depends on the chiral enamine intermediate and not the face-selective activation of aldehyde. A simple addition compound of proline and 8-hydroxy quinoline was found to be a good catalyst. [Supplementary materials are available for this article. Go to the publisher{\textquoteright}s online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]
}, keywords = {Additives, Aldol reaction, chiral amines, organocatalyst, pyrrolidine-catalyzed}, issn = {0039-7911}, doi = {10.1080/00397911.2013.805231}, author = {Sutar, R. L. and Joshi, Navalkishore N.} } @article { ISI:000340427600012, title = {Role of cation-anion cooperation in the selective synthesis of glycidol from glycerol using DABCO-DMC ionic liquid as catalyst}, journal = {RSC Advances}, volume = {4}, number = {61}, year = {2014}, month = {JUL}, pages = {32127-32133}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Transesterification of dimethyl carbonate with glycerol has been investigated using 1,4-diazabicyclo [2.2.2] octane (DABCO) based ionic liquid as a catalyst. DABCO reacted with dimethyl carbonate to form ionic liquid as the reaction progressed. Though the basicity of DABCO based ionic liquid was lower than that of DABCO, the catalytic activity and selectivity to glycidol was higher with DABCO based ionic liquid as a catalyst, indicating that basicity may not be the only criterion in deciding activity and selectivity of the reaction. The cooperative effect of the cation and anion of the ionic liquid is responsible for the observed results. The best results (97\% glycerol conversion with 83\% selectivity to glycidol and 17\% selectivity to glycerol carbonate) were obtained using DABCO based ionic liquid as a catalyst. A plausible mechanism involving the role of both the cation and anion of the ionic liquid has been proposed.
}, issn = {2046-2069}, doi = {10.1039/c4ra04290e}, author = {Munshi, Mudassir K. and Gade, Swapna M. and Rane, Vilas H. and Kelkar, Ashutosh A.} } @article { ISI:000343847000023, title = {Role of G-quadruplex located at 5 end of mRNAs}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1840}, number = {12}, year = {2014}, month = {DEC}, pages = {3503-3510}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Background: Secondary structures in 5{\textquoteright} UTR of mRNAs play a critical role in regulating protein synthesis. Though studies have indicated the role of secondary structure G-quadruplex in translational regulation, position-specific effect of G-quadruplex in naturally occurring mRNAs is still not understood. As a pre-initiation complex recognises 5{\textquoteright} cap of the mRNA and scans along the untranslated region (UTR) before initiating translation, the presence of G-quadruplex in 5{\textquoteright} region may have a significant contribution in regulating translation. Here, we investigate the role of G-quadruplex located at the 5{\textquoteright} end of an mRNA. Methods: Biophysical characterisation of putative G-quadruplexes was performed using UV and CD spectroscopy. Functional implication of G-quadruplex in the context of their location was assessed in cellulo using gRT-PCR and dual luciferase assay system. Results: PG4 sequences in 5{\textquoteright} UTR of AICT interacting protein (AKTIP), cathepsin B (CTSB) and forkhead box E3 (FOXE3) mRNAs form G-quadruplex whereas it is unable to form G-quadruplex in apolipoprotein A-I binding protein (APOA1BP). Our results demonstrated diverse roles of G-quadruplex located at 5{\textquoteright} end of mRNAs. Though G-quadruplex in AKTIP and CTSB mRNA act as inhibitory modules, it activates translation in FOXE3 mRNA. Conclusions: Our works suggests that G-quadruplex present at the 5{\textquoteright} terminal of an mRNA behaves differently in a different gene context. It can activate or inhibit gene expression. General significance: This study demonstrated that it is difficult to predict the role of G-quadruplex on the basis of its position in 5{\textquoteright} UTR. The neighbouring nucleotide sequence, the intracellular milieu and the interacting partners might render diverse functions to this secondary structure. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {AKTIP, APOA1BP, CTSB, FOXE3, G-quadruplex, UTR}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2014.08.017}, author = {Agarwala, Prachi and Pandey, Satyaprakash and Maiti, Souvik} } @article {46379, title = {Role of hydrogen bonding in pseudocapacitance of covalent organic frameworks}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C1149}, type = {Meeting Abstract}, keywords = {COF, H-bonding, pseudocapacitance}, issn = {2053-2733}, author = {Chandra, Suman and Banerjee, Rahul} } @article { ISI:000336899800007, title = {Role of iron oxide impurities in electrocatalysis by multiwall carbon nanotubes: An investigation using a novel magnetically modified ITO electrodes}, journal = {Bulletin of Materials Science}, volume = {37}, number = {2}, year = {2014}, month = {APR}, pages = {221-226}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
The role of iron oxide impurities in the electrocatalytic properties of multiwall carbon nanotubes (MWCNTs) prepared by catalytic chemical vapour decomposition method (CCVD) is studied in detail. A novel magnetically modified electrodes have been developed by which MWCNTs were immobilized on indium-tin oxide (ITO) electrodes, without any chemical binders. The electro-catalytic oxidation of dopamine, and reduction of hydrogen peroxide have been studied by cyclic voltammetry on magnetically modified electrodes with (i) MWCNTs with occluded iron oxide impurities (Fe-MWCNTs), (ii) MWCNTs grown on iron oxide nanoparticle particulate films (Io-MWCNTs) and (iii) pristine iron oxide nanoparticle particulate film (Io-NPs). A shift towards less positive potentials for the oxidation of dopamine was observed which is in the order of Fe-MWCNTs \< Io-MWCNTs \< Io-NPs. Similarly, trend towards less negative potentials for the reduction of hydrogen peroxide was observed. Thus, the electrocatalytic activities displayed by MWCNTs have been attributed to the iron oxide impurities associated with it. The systematic variation was related to the nature of interaction of iron oxide nanoparticles with MWCNT surface.
}, keywords = {dopamine, Hydrogen peroxide, iron oxide nanoparticles, magnetically-modified electrode, Multiwall carbon nanotubes (MWCNTs)}, issn = {0250-4707}, author = {Samant, Kanchan M. and Joshi, Vrushali S. and Patil, Kashinath R. and Haram, Santosh K.} } @article { ISI:000344330800015, title = {Role of nanointerfaces in Cu- and Cu plus Au-based near-ambient-temperature CO oxidation catalysts}, journal = {ChemCatChem}, volume = {6}, number = {11}, year = {2014}, month = {NOV}, pages = {3116-3124}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Disordered mesoporous Cu-doped ceria-zirconia (Cu0.1Ce0.85Zr0.05O2), and gold deposited (Au/Cu0.1Ce0.85Zr0.05O2) catalysts were synthesized and evaluated for CO oxidation. Onset of CO oxidation activity, and 50\% (100\%) CO2 formation occurs at room temperature (RT), and 77 (120)degrees C, respectively, with Cu0.1Ce0.85Zr0.05O2. A small amount of gold on Cu0.1Ce0.85Zr0.05O2 induces the sustainable oxidation catalysis around RT. Onset of copper reduction temperature decreases from 110 degrees C on Cu0.1Ce0.85Zr0.05O2 to 48 degrees C with Au/Cu0.1Ce0.85Zr0.05O2, highlighting the direct interaction between Cu and Au through a Cu-Au interface. Au particles with a (00 1) facet deposit on an oxygen-deficient site of (111) facet of CeO2-ZrO2. Any decrease in surface Cu-content with increasing Au-content further supports the Au-Cu-Ce/Zr interface interactions. Nanointerfaces of Au clusters on Cu next to oxygen-deficient sites of CeO2-ZrO2 facilitate all the elementary steps of the CO + O-2 reaction to occur in close proximity at ambient conditions.
}, keywords = {carbon monoxide, Gold, heterogeneous catalysis, Oxidation, redox}, issn = {1867-3880}, doi = {10.1002/cctc.201402581}, author = {Gnanakumar, Edwin S. and Naik, Jarpla Madhusudhan and Manikandan, Marimuthu and Raja, Thirumalaiswamy and Gopinath, Chinnakonda S.} } @article { ISI:000341619500016, title = {Role of oxygen vacancies in water gas shift reaction: activity study on BaCe0.98-xYxPt0.02O3-delta perovskites}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {36}, year = {2014}, month = {SEP}, pages = {20867-20874}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Oxygen vacancies are suggested to play an important role in reactions like water gas shift where the redox mechanism is crucial. Pt-doped BaCeO3 perovskite, moderately active for water gas shift reaction, is selected for further understanding the role of oxygen vacancies, since perovskite lattice can tolerate and stabilize vacancies facilitating an accurate quantification. Vacancies are created in the system by systematic doping of increasing amounts of Y. Structure and activity studies reveal that the 6\% Y-substituted compound which has the most symmetric B site coordination environment exhibits the highest activity. Hence, it is not the extent of vacancies but their structural characteristics which are found to be decisive. Symmetric coordination around B ions facilitates water adsorption and dissociation by lowering the energy barriers due to the creation of an isotropic environment.
}, issn = {1932-7447}, doi = {10.1021/jp503922x}, author = {Rajesh, Thattarathody and Devi, R. Nandini} } @article { ISI:000350657700011, title = {Role of structure and entropy in determining differences in dynamics for glass formers with different interaction potentials}, journal = {Physical Review Letters}, volume = {113}, number = {22}, year = {2014}, month = {NOV}, pages = {225701}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
We present a study of two model liquids with different interaction potentials, exhibiting similar structure but significantly different dynamics at low temperatures. By evaluating the configurational entropy, we show that the differences in the dynamics of these systems can be understood in terms of their thermodynamic differences. Analyzing their structure, we demonstrate that differences in pair correlation functions between the two systems, through their contribution to the entropy, dominate the differences in their dynamics, and indeed overestimate the differences. Including the contribution of higher order structural correlations to the entropy leads to smaller estimates for the relaxation times, as well as smaller differences between the two studied systems.
}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.113.225701}, author = {Banerjee, Atreyee and Sengupta, Shiladitya and Sastry, Srikanth and Bhattacharyya, Sarika Maitra} } @article { ISI:000330953700014, title = {Roseovarius azorensis sp nov., isolated from seawater at espalamaca, azores}, journal = {Antonie van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {3}, year = {2014}, month = {MAR}, pages = {571-578}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A Gram-negative, motile, non-spore forming, rod shaped aerobic bacterium, designated strain SSW084(T), was isolated from a surface seawater sample collected at Espalamaca (38A degrees 33{\textquoteright}N; 28A degrees 39{\textquoteright}W), Azores. Growth was found to occur from 15 to 40 A degrees C (optimum 30 A degrees C), at pH 7.0-9.0 (optimum pH 7.0) and with 25-100 \% seawater or 0.5-7.0 \% NaCl in the presence of Mg2+ and Ca2+; no growth was found with NaCl alone. Colonies on seawater nutrient agar were observed to be punctiform, white, convex, circular, smooth, and translucent. Strain SSW084(T) did not grow on Zobell marine agar and tryptic soy agar even when seawater supplemented. The major respiratory quinone was found to be Q-10 and the G + C content was determined to be 61.9 mol\%. Phylogenetic analysis based on the 16S rRNA gene sequence indicated that strain SSW084(T) belongs to the genus Roseovarius and that its closest neighbours are Roseovarius tolerans EL-172(T), Roseovarius mucosus DFL-24(T) and Roseovarius lutimaris 112(T) with 95.7, 95.4 and 95.3 \% sequence similarity respectively. The remaining species of Roseovarius showed \< 95 \% similarity. The polar lipids of strain SSW084(T) were determined to be phosphatidylethanolamine, diphosphatidylglycerol, phosphatidylglycerol, phosphatidylcholine, an unidentified lipid and one unidentified aminolipid. The major fatty acids identified were identified as C-18:1 omega 7c (52.5 \%) and C-16:0 (13.8 \%). On the basis of phenotypic, molecular and chemotaxonomic characteristics, strain SSW084(T) is considered to represent a novel species of the genus Roseovarius, for which Roseovarius azorensis sp. nov is proposed. The type strain is SSW084(T) (=KCTC 32421(T) = MTCC 11812(T)).
}, keywords = {Espalamaca, Polyphasic taxonomy, Roseovarius azorensis sp nov, Seawater}, issn = {0003-6072}, doi = {10.1007/s10482-013-0109-9}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Dastager, Syed Gulam and Liu, Qing and Thi-Nhan Khieu and Chu Ky Son and Li, Wen-Jun and Colaco, Ana} } @article { ISI:000337742600003, title = {Ru-catalyzed branched versus linear selective C3-alkylation of 2-aroylbenzofurans with acrylates via C-H activation}, journal = {Chemistry-A European Journal}, volume = {20}, number = {26}, year = {2014}, month = {JUN}, pages = {7884-7889}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The carbonyl-directed C3-H activation and alkylation of 2-aroylbenzo[b]furans with acrylates occurs selectively either in a linear or branched fashion, depending on the catalyst employed; [Ru(p-cymene)Cl-2](2) or Ru(PPh3)(3)Cl-2, respectively. Two alternate pathways-funded upon the differences in steric and electronic preferences of these two complexes-is proposed for the selectivity of linear versus branched products.
}, keywords = {acrylate, benzo[b]furan, branched-selective alkylation, C-H activation, ruthenium}, issn = {0947-6539}, doi = {10.1002/chem.201400401}, author = {Kommagalla, Yadagiri and Srinivas, Kolluru and Ramana, Chepuri V.} } @article { ISI:000346214100014, title = {SBA-15 intercalated Mg-Al hydrotalcite: an environmental friendly catalyst for hydroisomerization of olefin}, journal = {Applied Catalysis A-General}, volume = {488}, year = {2014}, month = {NOV}, pages = {119-127}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
SBA-15 Molecular sieve-intercalated Mg-Al hydrotalcite (MASBA-HT) was synthesized for the first time by a simple straightforward method. The intercalation of SBA-15 molecular sieve between the interlayer of HT was evident from powder XRD, TEM and FT-IR studies. The presence of SBA-15 facilitates retention of the layered structure for first time, even after calcination at high temperature of 550 degrees C. The resultant material possesses moderate acidity which comes from incorporation of aluminum into the framework of SBA-15 and also contained soluble basicity similar to HT materials. The material shows promising activity for hydroisomerization of 1-octene resulting in good substrate conversion (80\%) and branched isomers selectivity (45\%). The catalytic activity remains constant over longer duration and repeated runs. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Branched alkenes, Hydroisomerization, Intercalated-hydrotalcite, layered materials, Mesoporous SBA-15}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.09.024}, author = {Baskaran, Thangaraj and Christopher, Jayaraj and Ajithkumar, Thalasseril G. and Sakthivel, Ayyamperumal} } @article { ISI:000338011200013, title = {Scaling behavior of resistive switching in epitaxial bismuth ferrite heterostructures}, journal = {Advanced Functional Materials}, volume = {24}, number = {25}, year = {2014}, month = {JUL}, pages = {3962-3969}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Resistive switching (RS) of (001) epitaxial multiferroic BiFeO3/La0.67Sr0.33MnO3/SrTiO3 heterostructures is investigated for varying lengths scales in both the thickness and lateral directions. Macroscale current-voltage analyses in conjunction with local conduction atomic force microscopy (CAFM) reveal that whilst both the local and global resistive states are strongly driven by polarization direction, the type of conduction mechanism is different for each distinct thickness regime. Electrode-area dependent studies confirm the RS is dominated by an interface mechanism and not by filamentary formation. Furthermore, CAFM maps allow deconvolution of the roles played by domains and domain walls during the RS process. It is shown that the net polarization direction, and not domain walls, controls the conduction process. An interface mechanism based on barrier height and width alteration due to polarization reversal is proposed, and the role of electronic reconstruction at the interface is further investigated.
}, issn = {1616-301X}, doi = {10.1002/adfm.201400110}, author = {Rana, Abhimanyu and Lu, Haidong and Bogle, Kashinath A. and Zhang, Qi and Vasudevan, Rama and Thakare, Vishal and Gruverman, Alexei and Ogale, Satishchandra and Valanoor, Nagarajan} } @article { ISI:000340713100031, title = {Scaling up the shape: a novel growth pattern of gallium clusters}, journal = {Journal of Chemical Physics}, volume = {141}, number = {5}, year = {2014}, month = {AUG}, pages = {Article No. 054308}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {
Putative global minima for Ga+N clusters with size {\textquoteleft}{\textquoteleft}N{\textquoteright}{\textquoteright} ranging from 49 to 70 are found by employing the Kohn-Sham formulation of the density functional theory, and their evolution is described and discussed in detail. We have discovered a unique growth pattern in these clusters, all of which are hollow core-shell structures. They evolve with size from one spherical core-shell to the next spherical core-shell structure mediated by prolate geometries, with an increase in overall diameter of the core, as well as the shell, without putting on new layers of atoms. We also present a complete picture of bonding in gallium clusters by critically analyzing the molecular orbitals, the electron localization function, and Bader charges. Bonding in these clusters is a mixture of metallic and covalent type that leans towards covalency, accompanied by marginal charge transfer from the surface to the core. Most molecular orbitals of Ga clusters are non-jellium type. Covalency of bonding is supported by a wide localization window of electron localization function, and joining of its basins along the bonds. (C) 2014 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4891867}, author = {Kaware, Vaibhav and Joshi, Kavita} } @article { ISI:000341339300024, title = {Second generation, arginine-rich (R-X {\textquoteleft}-R)(4)-type cell-penetrating alpha-omega-alpha-peptides with constrained, chiral omega-amino acids (X {\textquoteleft}) for enhanced cargo delivery into cells}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {24}, number = {17}, year = {2014}, month = {SEP}, pages = {4198-4202}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The syntheses of novel N-aminoalkyl proline-derived spacers (X{\textquoteright}) in polycationic (R-X{\textquoteright}-R)-motif cell-penetrating alpha-omega-alpha-peptides are described as improved molecular transporters and their structural features studied by CD. FACS analysis shows enhanced cellular uptake and confocal microscopy indicates predominantly cytoplasmic localization. The oligomers are efficient at transporting pDNA into cells. The chirality together with the hydrophobicity and flexibility derived from the spacer chain are found to have marked influence on the cell-penetrating and cargo delivery properties of the cell-penetrating peptides (CPPs). The peptides containing N-(3-aminopropyl)-D-proline spacers are found to be the best at cell penetration and cargo delivery in the present study. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {(R-X-R)-motif, alpha-omega-alpha-Peptide, Cell-penetrating peptide, Constrained chiral amino acid, Peptidomimetics}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2014.07.040}, author = {Patil, Kiran M. and Naik, Rangeetha J. and Vij, Manika and Yadav, Amit K. and Kumar, Vaijayanti A. and Ganguli, Munia and Fernandes, Moneesha} } @article { ISI:000330901700003, title = {Selection of phytase producing yeast strains for improved mineral mobilization and dephytinization of chickpea flour}, journal = {Journal of Food Biochemistry}, volume = {38}, number = {1}, year = {2014}, month = {FEB}, pages = {18-27}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Among 600 yeast isolates screened for phytase production, five (Zygosaccharomyces bisporusNCIM 3265 and 3296, Williopsis saturnusNCIM 3298, Zygosaccharomyces priorionusNCIM 3299 and Schizosaccharomyces octosporusNCIM 3297) were selected as potential phytase producers. Phytase activity was found to be cell wall associated with temperature and pH optima of 50C and 4.0, respectively. Highest phytase production was attained in cane juice medium as compared with other media used. Addition of phytase to chickpea flour significantly enhanced mineral mobilization by approximately 20-28\%, 26-37\% and 24-42\% for Zn2+, Fe2+ and Ca2+, respectively, and decreased phytic acid content by about 75-88\%.
}, issn = {0145-8884}, doi = {10.1111/jfbc.12020}, author = {Pable, A. and Gujar, P. and Khire, Jayant Malhar} } @article { ISI:000340427600056, title = {Selective synthesis of propofol (2,6-diisopropylphenol), an intravenous anesthetic drug, by isopropylation of phenol over H-beta and H-mordenite}, journal = {RSC Advances}, volume = {4}, number = {61}, year = {2014}, month = {JUL}, pages = {32467-32474}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Propofol (2,6-diisopropylphenol/DIPP) is the world{\textquoteright}s most widely used intravenous general anesthetic and is typically synthesized by isopropylation of phenol over an acid catalyst. It is highly difficult to stabilize bio-oil containing phenolic compounds. The isopropylation of this phenol (a model compound representing species in bio-oils) is one of the options to stabilize the bio-oil and convert it into valuable products. Probably for the first time, H-beta- and H-mordenite-catalysed vapour phase isopropylation of phenol with isopropyl alcohol (IPA) was studied to selectively synthesize DIPP. The optimization of various operating parameters such as molar ratio (phenol : IPA), weight hourly space velocity (WHSV), reaction temperature and time on stream were performed. H-beta (94\% phenol conv. and 56\% DIPP sel.) was found to be a potential and more active catalyst than H-mordenite (68\% phenol conv. and 43\% DIPP sel.) at optimized process parameters. A kinetic model is proposed to probe the intricate reaction kinetics and validated (R-2 \> 0.98) by the experimental results. H-beta catalyst was observed to be stable for more than 25 h with 94\% phenol conversion and 56\% selectivity towards DIPP at optimized process parameters. The phenol conversion and DIPP selectivity obtained in the present study are higher than those reported so far. The activation energy obtained for isopropylation of phenol with IPA over H-beta is calculated to be 25.39 kJ mol(-1).
}, issn = {2046-2069}, doi = {10.1039/c4ra03004d}, author = {Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000330542900022, title = {Sequential electrochemical unzipping of single-walled carbon nanotubes to graphene ribbons revealed by in situ Raman spectroscopy and imaging}, journal = {ACS Nano}, volume = {8}, number = {1}, year = {2014}, month = {JAN}, pages = {234-242}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report an in situ Raman spectroscopic and microscopic investigation of the electrochemical unzipping of single-walled carbon nanotubes (SWNTs). Observations of the radial breathing modes (RBMs) using Raman spectral mapping reveal that metallic SWNTs are opened up rapidly followed by gradual unzipping of semiconducting SWNTs. Consideration of the resonant Raman scattering theory suggests that two metallic SWNTs with chiralities (10,4) and (12, 0) get unzipped first at a lower electrode potential (036 V) followed by the gradual unzipping of another two metallic tubes, (9, 3) and (10, 1), at a relatively higher potential (1.16 V). The semiconducting SWNTs with chiralities (11, 7) and (12, 5), however, get open up gradually at +/- 1.66 V. A rapid decrease followed by a subsequent gradual decrease in the metallicity of the SWNT ensemble as revealed from a remarkable variation of the peak width of the G band complies well with the variations of RBM. Cyclic voltammetry also gives direct evidence for unzipping in terms of improved capacitance after oxidation followed by more important removal of oxygen functionalities during the reduction step, as reflected in subtle changes of the morphology confirming the formation of graphene nanoribbons. The density functional-based tight binding calculations show additional dependence of chirality and diameter of nanotubes on the epoxide binding energies, which is in agreement with the Raman spectroscopic results and suggests a possible mechanism of unzipping determined by combined effects of the structural characteristics of SWNTs and applied field.
}, keywords = {density functional-based tight binding calculations, Electrochemistry, graphene, Raman spectral mapping, single-walled carbon nanotubes}, issn = {1936-0851}, doi = {10.1021/nn403289g}, author = {John, Robin and Shinde, Dhanraj B. and Liu, Lili and Ding, Feng and Xu, Zhiping and Vijayan, Cherianath and Pillai, Vijayamohanan K. and Pradeep, Thalappil} } @article { ISI:000342873800010, title = {Short enantioselective total synthesis of (R)- and (S)-pipecolic acid}, journal = {Tetrahedron-Asymmetry}, volume = {25}, number = {16-17}, year = {2014}, month = {SEP}, pages = {1246-1251}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A convenient and practical total synthesis of (R)- and (S)-pipecolic acid has been achieved by utilizing chiral cis-aziridine-2-carboxylate as the common synthetic precursor. The synthesis involves regioselective reductive cleavage of the aziridine ring and Wittig olefination as key reactions. (C) 2014 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2014.08.001}, author = {Chavan, Subhash P. and Khairnar, Lalit B. and Chavan, Prakash N. and Kalbhor, Dinesh B.} } @article { ISI:000340208400016, title = {Silica and zirconia supported tungsten, molybdenum and gallium oxide catalysts for the synthesis of furfural}, journal = {Catalysis Science \& Technology}, volume = {4}, number = {9}, year = {2014}, month = {JUN}, pages = {2904-2907}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
SiO2 and ZrO2 supported W, Mo and Ga oxide catalysts were prepared by a sol-gel and wet-impregnation method. The 10 wt\% WO3/SiO2 (sol-gel) catalyst showed 61 +/- 2\% furfural yield from hemicellulose in a one-pot fashion for at least 8 cycles. Based on XRD, TPD and Hammett acidity characterizations, the catalyst structure-activity correlation was drawn.
}, issn = {2044-4753}, doi = {10.1039/c4cy00530a}, author = {Bhaumik, Prasenjit and Kane, Tanushree and Dhepe, Paresh Laxmikant} } @article { ISI:000345651600040, title = {Simple and efficient synthesis of isocoumarins and alkylidenephthalides from 3-(1-hydroxycarbethoxy/alkyl)phthalides with a DEAD/PPh3/TBHP system}, journal = {RSC Advances}, volume = {4}, number = {101}, year = {2014}, month = {NOV}, pages = {57658-57661}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A facile and novel approach to the synthesis of 3-carbethoxy-isocoumarins and 3-alkylidenephthalides is described. The methodology employs DEAD/PPh3/TBHP as the reagent system proceeding through unprecedented 1,2-shift intramolecular ring expansion or simple elimination depending upon substituents present on 3-substituted phthalides, with broader substrate scope. This strategy is amply demonstrated in the short synthesis of bioactive molecules such as cytogenin and (Z)-3-butylidene-7-hydroxy-5-methoxyphthalide.
}, issn = {2046-2069}, doi = {10.1039/c4ra10372f}, author = {Gadakh, Sunita K. and Sudalai, Arumugam} } @article { ISI:000341004800003, title = {Simple, economical, and environmentally benign protocol for the synthesis of 2-amino-3,5-dicarbonitrile-6-sulfanylpyridines at ambient temperature}, journal = {Green Chemistry Letters and Reviews}, volume = {7}, number = {3}, year = {2014}, month = {JUN}, pages = {228-235}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
A simple, economical, and environmentally benign protocol has been described for one-pot synthesis of medicinally privileged 2-amino-3,5-dicarbonitrile-6-sulfanylpyridines by three-component condensation between aldehyde, malononitrile, and thiol using diethylamine as a catalyst. Ambient temperature and avoidance of conventional work-up as well as purification procedure qualify this cost-effective protocol for {\textquoteleft}{\textquoteleft}green synthesis.{\textquoteright}{\textquoteright}
}, keywords = {5-dicarbonitriles, diethylamine, green chemistry, multicomponent reactions, organocatalyst, pyridine-3}, issn = {1751-8253}, doi = {10.1080/17518253.2014.925144}, author = {Desai, Uday V. and Kulkarni, Makarand A. and Pandit, Kapil S. and Kulkarni, Aparna M. and Wadgaonkar, Prakash P.} } @article { ISI:000344471800052, title = {Simple molecular engineering of glycol nucleic acid: progression from self-pairing to cross-pairing with cDNA and RNA}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {22}, number = {21}, year = {2014}, month = {NOV}, pages = {6227-6232}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The acyclic chiral nucleic acid analogue, Glycol Nucleic Acid (GNA), displayed exceptional structural simplicity and atom economy while forming self-paired duplexes, using canonical Watson-Crick base pairing. We disclose here that the replacement of phosphodiester linker in GNA with somewhat rigid and shorter carbamate linker in Glycol Carbamate Nucleic Acid (GCNA) backbone allows unprecedented stability to the antiparallel self-paired duplexes. The R-GCNA oligomers were further found to form cross-paired antiparallel duplexes with cDNA and RNA following Watson-Crick base pairing. The stability of cross-paired GCNA: DNA and GCNA: RNA duplexes was higher than the corresponding DNA: DNA and DNA: RNA duplexes. The chiral (R) and (S) precursors were easily accessible from naturally occurring L-serine. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Acyclic chiral nucleic acid, Cross-pairing, GCNA, GNA, Self-pairing}, issn = {0968-0896}, doi = {10.1016/j.bmc.2014.08.022}, author = {Bose, Tanaya and Kumar, Vaijayanti A.} } @article { ISI:000346266000076, title = {Single-layer MoSe2 based NH3 gas sensor}, journal = {Applied Physics Letters}, volume = {105}, number = {23}, year = {2014}, month = {DEC}, pages = {233103}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
High performance chemical sensor is highly desirable to detect traces of toxic gas molecules. Two dimensional (2D) transition metal dichalcogenides (TMDC) semiconducting materials has attracted as high performance gas sensor device applications due to unique properties such as high surface to volume ratio. Here, we describe the utilization of single-layer MoSe2 as high-performance room temperature NH3 gas sensors. Our single-layer MoSe2 based gas sensor device shows comprehensible detection of NH3 gas down to 50 ppm. We also confirmed gas sensing measurement by recording the Raman spectra before and after exposing the device to NH3 gas, which subsequently shows the shift due to charger transfer and analyte gas molecule adsorption on surface of single-layer MoSe2 nanosheet. Our investigations show the potential use of single-layer and few layer thick MoSe2 and other TMDC as high-performance gas sensors. (C) 2014 AIP Publishing LLC.
}, issn = {0003-6951}, doi = {10.1063/1.4903358}, author = {Late, Dattatray J. and Doneux, Thomas and Bougouma, Moussa} } @article { ISI:000330812400022, title = {Single-pot formation of THFAL via catalytic hydrogenation of FFR over Pd/MFI catalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {2}, year = {2014}, month = {FEB}, pages = {272-281}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Furfural (FFR) was selectively hydrogenated in a single pot to tetrahydrofurfuryl alcohol (THFAL) over a Si MFI molecular sieve supported Pd catalyst. Studies on catalyst screening revealed that both the metal function and the support were critical for directing the selectivity to the ringhydrogenated product, THFAL. The structural feature of MFI as shown by XRD was completely retained in the used sample of the 3\% Pd/MFI catalyst confirming its stability under reaction conditions. XRD, along with SEM characterization of the used samples, established retention of morphology of the structured silicate, suggesting a strong interaction between hexagonal porous silicate and Pd particles. The complete conversion of FFR with an enhanced selectivity of 95\% to THFAL could be achieved by recycling the crude of the first hydrogenation experiment over the same 3\% Pd/MFI catalyst.
}, keywords = {Biomass conversion, Hydrogenation, Pd/MFI, Recyclability, THFAL}, issn = {2168-0485}, doi = {10.1021/sc400302b}, author = {Biradar, Narayan S. and Hengne, Amol M. and Birajdar, Shobha N. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Rode, Chandrashekhar V.} } @article { ISI:000346321700065, title = {Size quantization effects on interfacial electron transfer dynamics in Ru(II)-polypyridyl complex sensitized ZnO QDs}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {49}, year = {2014}, month = {DEC}, pages = {28898-28905}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Quantum-size confinement in semiconductor material offers size based tunability of interband gap energy as well as intraband sublevels. In this work, size quantization of wide bandgap ZnO quantum dots has been explored in the study of interfacial charge separation reaction using a catechol functionalized Ru(II)polypyridyl complex as a photosensitizer molecule. Femtosecond time-resolved transient absorption studies have revealed multiple electron injection events based on discrete conduction band states of ZnO QDs. The electron injection rates have been rationalized for quantum confinement effects owing to different sizes of ZnO QDs. Furthermore, the size dependency of the intrinsic lifetime of electrons injected into discrete energy levels of ZnO QDs has been revealed in charge recombination reaction with the Ru(III)polypyridyl complex cation. The charge recombination dynamics reveals a competing trend of carrier confinement and carrier leak upon reducing particle size. This study shows the optimization of finite size effects in achieving better interfacial charge separation at the dye/semiconductor interface.
}, issn = {1932-7447}, doi = {10.1021/jp5101158}, author = {Verma, Sandeep and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000338042500053, title = {Smallest organocatalyst in highly enantioselective direct aldol reaction in wet solvent-free conditions}, journal = {RSC Advances}, volume = {4}, number = {46}, year = {2014}, month = {MAY}, pages = {24311-24315}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The catalytic efficacy of the smallest organocatalyst, L-proline hydrazide, prepared from a cheaply available natural amino acid, such as L-proline, was studied for the direct asymmetric aldol reaction of various ketones with aromatic aldehydes at room temperature in the presence of several acid additives. A loading of 10 mol\% of catalyst 1 and p-toluenesulphonic acid as an additive was employed in this reaction, and good yields (up to 99\%) with high anti/syn diastereoselectivities (up to 95 : 5) and enantioselectivities (up to \>99.9\%) were achieved in aqueous media.
}, issn = {2046-2069}, doi = {10.1039/c4ra02690j}, author = {Bhowmick, Sudipto and Kunte, Sunita S. and Bhowmick, Kartick C.} } @article { ISI:000341543200034, title = {Soft colloidal scaffolds capable of elastic recovery after large compressive strains}, journal = {Chemistry of Materials}, volume = {26}, number = {17}, year = {2014}, month = {SEP}, pages = {5161-5168}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Assemblies of inorganic or glassy particles are typically brittle and cannot sustain even moderate deformations. This restricts the use of such materials to applications where they do not experience significant loading or deformation. Here, we demonstrate a general strategy to create centimeter-size macroporous monoliths, composed primarily (\>90 wt \%) of colloidal particles, that recover elastically after compression to about one-tenth their original size. We employ ice templating of an aqueous dispersion of particles, polymer, and cross-linker such that cross-linking happens in the frozen state. This method yields elastic composite scaffolds for starting materials ranging from nanoparticles to micron-sized dispersions of inorganics or glassy lattices. The mechanical response of the monoliths is also qualitatively independent of polymer type, molecular weight, and even cross-linking chemistry. Our results suggest that the monolith mechanical properties arise from the formation of a unique hybrid microstructure, generated by cross-linking the polymer during ice templating. Particles that comprise the scaffold walls are connected by a cross-linked polymeric mesh. This microstructure results in soft monoliths, with moduli similar to O (10(4) Pa), despite the very high particle content in their walls. A remarkable consequence of this microstructure is that the monolith mechanical response is entropic in origin: the modulus of these scaffolds increases with temperature over a range of 140 K. We show that interparticle connections formed by cross-linking during ice templating determine the monolith modulus and also allow relative motion between connected particles, resulting in entropic elasticity.
}, issn = {0897-4756}, doi = {10.1021/cm502643a}, author = {Rajamanickam, Raja and Kumar, Sushma and Kumar, Deepak and Ghosh, Shankar and Kim, Jong Chul and Tae, Giyoong and Sen Gupta, Sayam and Kumaraswamy, Guruswamy} } @article { ISI:000334141800011, title = {Soft-sensor development for biochemical systems using genetic programming}, journal = {Biochemical Engineering Journal}, volume = {85}, year = {2014}, month = {APR}, pages = {89-100}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Soft-sensors are software based process monitoring systems/models. In real-time they estimate those process variables, which are difficult to measure online or whose measurement by analytical procedures is tedious and time-consuming. In this study, the genetic programming (GP), an artificial intelligence based data-driven modeling formalism, has been introduced for the development of soft-sensors for biochemical processes. The novelty of the GP is that given example input-output data, it searches and optimizes both the form (structure) and parameters of an appropriate linear/nonlinear data-fitting model. In this study, GP-based soft-sensors have been developed for two bioprocesses, namely extracellular production of lipase enzyme and bacterial production of poly(3-hydroxybutyrate-co-3-hydroxyvalerate) copolymer. While in case study-I, the soft-sensor predicts the time-dependent lipase activity (U/ml), in case study-II it predicts the amount of accumulated polyhydroxyalkanoates (\% dcw). The prediction and generalization performance of the GP-based soft-sensors was compared with the corresponding multi-layer perceptron (MLP) neural network and support vector regression (SVR) based soft-sensors. This comparison indicates that in the first case study the GP-based soft-sensor with the training and test set correlation coefficient (root-mean-squared-error) magnitudes of \>0.96 (approximate to 0.962 U/ml) has clearly outperformed the two other soft-sensors. In case study-II involving bacterial copolymer production, the GP and SVR based soft-sensors have performed equally well (correlation coefficient approximate to 0.98) while the MLP based soft-sensor{\textquoteright}s performance was relatively inferior (correlation coefficient approximate to 0.94). (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Artificial intelligence, Batch processing, Bioprocess monitoring, Lipase, Modeling, sensors}, issn = {1369-703X}, doi = {10.1016/j.bej.2014.02.007}, author = {Sharma, Suraj and Tambe, Sanjeev S.} } @article { ISI:000336351800043, title = {Solar photocatalytic degradation of methylene blue using doped TiO2 nanoparticles}, journal = {Solar Energy}, volume = {103}, year = {2014}, month = {MAY}, pages = {473-479}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Doped-TiO2 nanoparticles (M:TiO2: Fe, Zn, Zr, Sb, Ce and nM:TiO2: B, C, N, P, S) with anatase structure were prepared by sol-gel method and characterized by X-ray diffraction (XRD), Transmission electron microscopy (TEM), X-ray photoelectron spectra (XPS), Brunauer-Teller method (BET), UV-Vis diffuses reflectance spectroscopy (DRS). Results revealed that the anatase structure is highly stable for all doped TiO2 prepared compounds with enhancement in the surface area. UV-Vis diffuse reflectance spectra showed that these dopants were responsible for narrowing the band gap of TiO2 and shifting its optical response from ultraviolet to visible-light region. The photocatalytic activities of these multi-doped TiO2 catalysts were investigated by degradation methylene blue in aqueous solution under solar-light illumination. The results showed an appreciable enhancement in the photoactivity of the C-doped TiO2 as compared to other multi-doped TiO2 because of the formation of Ti+3 species which prevent the recombination of electron-hole pairs in C-doped TiO2. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon, iron, Methylene blue, Solar photocatalysis}, issn = {0038-092X}, doi = {10.1016/j.solener.2014.02.043}, author = {Bhosale, R. R. and Pujari, S. R. and Muley, G. G. and Patil, S. H. and Patil, K. R. and Shaikh, M. F. and Gambhire, A. B.} } @article { ISI:000341544200034, title = {Sol-gel assisted fabrication of collagen hydrolysate composite scaffold: a novel therapeutic alternative to the traditional collagen scaffold}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {17}, year = {2014}, month = {SEP}, pages = {15015-15025}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Collagen is one of the most widely used biomaterial for various biomedical applications. In this Research Article, we present a novel approach of using collagen hydrolysate, smaller fragments of collagen, as an alternative to traditionally used collagen scaffold. Collagen hydrolysate composite scaffold (CHCS) was fabricated with sol-gel transition procedure using tetraethoxysilane as the silica precursor. CHCS exhibits porous morphology with pore sizes varying between 380 and 780 mu m. Incorporation of silica conferred CHCS with controlled biodegradation and better water uptake capacity. Notably, 3T3 fibroblast proliferation was seen to be significantly better under CHCS treatment when compared to treatment with collagen scaffold. Additionally, CHCS showed excellent antimicrobial activity against the wound pathogens Staphylococcus aureus, Bacillus subtilis, and Escherichia coli due to the inherited antimicrobial activity of collagen hydrolysate. In vivo wound healing experiments with full thickness excision wounds in rat model demonstrated that wounds treated with CHCS showed accelerated healing when compared to wounds treated with collagen scaffold. These findings indicate that the CHCS scaffold from collagen fragments would be an effective and affordable alternative to the traditionally used collagen structural biomaterials.
}, keywords = {collagen, collagen hydrolysate, scaffold, sol-gel, tissue engineering, wound Healing}, issn = {1944-8244}, doi = {10.1021/am502948g}, author = {Ramadass, Satiesh Kumar and Perumal, Sathiamurthi and Gopinath, Arun and Nisal, Anuya and Subramanian, Saravanan and Madhan, Balaraman} } @article { ISI:000332485000001, title = {Solid acid catalyzed depolymerization of lignin into value added aromatic monomers}, journal = {RSC Advances}, volume = {4}, number = {25}, year = {2014}, month = {FEB}, pages = {12625-12629}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Depolymerization of lignin to produce value-added aromatic monomers has attracted a lot of attention since these monomers can potentially be used as fuel additives (octane enhancers) and in turn can improve the prospects of cellulosic ethanol technology to become economically feasible. Here we show that solid acid catalysts could efficiently convert lignin into value added aromatic monomers with 60\% yields and ca. 95\% mass balance when depolymerization reactions were carried out at 250 degrees C for 30-120 minutes. We found that the reaction parameters have a remarkable effect on improving the yields.
}, issn = {2046-2069}, doi = {10.1039/c3ra47818a}, author = {Deepa, Ayillath K. and Dhepe, Paresh Laxmikant} } @article { ISI:000337551800010, title = {Solid base supported metal catalysts for the oxidation and hydrogenation of sugars}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {388}, number = {SI}, year = {2014}, month = {JUL}, pages = {90-99}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Pt impregnated on gamma-Al2O3 (acidic support) and hydrotalcite (basic support) catalysts were synthesized, characterized and used in the oxidation and hydrogenation reactions of C5 and C6 sugars. In the absence of homogeneous base, 83\% yield for gluconic acid; an oxidation product of glucose can be achieved over Pt/hydrotalcite (HT) catalyst at 50 degrees C under atmospheric oxygen pressure. Similarly, 57\% yield for xylonic acid, an oxidation product of xylose is also possible over Pt/HT catalyst. Hydrogenation of glucose conducted using Pt/gamma-Al2O3 + HT catalytic system showed 68\% sugar alcohols (sorbitol + mannitol) formation. The 82\% yield for C5 sugar alcohols (xylitol + arabitol) was obtained by subjecting xylose to hydrogenation over Pt/gamma-Al2O3 + HT at 60 degrees C. UV analysis helped to establish the fact that under alkaline conditions sugars prefer to remain in open chain form in the solution and thus exposes -CHO group which further undergoes oxidation and hydrogenation reactions to yield acids and alcohols. (c) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Hydrogenation, Oxidation, Solid base, Sugars, Supported metal catalysts}, issn = {1381-1169}, doi = {10.1016/j.molcata.2013.09.014}, author = {Tathod, Anup and Kane, Tanushree and Sanil, E. S. and Dhepe, Paresh Laxmikant} } @article { ISI:000334895800021, title = {Solid, double-metal cyanide catalysts for synthesis of hyperbranched polyesters and aliphatic polycarbonates}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {499-509}, publisher = {Catalysis Soc India}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Fe-Zn and Co-Zn double-metal cyanide (DMC) complexes exhibit highly efficient and selective catalytic activity for synthesis of hyperbranched polyesters (glycerol succinic acid (G-SA) and glycerol adipic acid (G-AA)) and aliphatic polycarbonates (via., alternative co-polymerization of cyclohexene oxide and CO2), respectively. The influence of method of preparation of DMC, in particular the mode of addition of reagents, on its physicochemical and catalytic properties was investigated. Co-Zn DMC was found highly selective for polycarbonate (than polyethers) formation. Catalysts prepared using tert-butanol and PEG-4000 as complexing and co-complexing agents, respectively, were found superior to those prepared without these agents. Apart from its role as a coordinating ligand, tert-butanol activated the Lewis acidic Zn2+ sites for reactions in polyester and polycarbonate formation. Hydrophobicity, micro-mesoporosity, acid strength and the amount of coordinated complexing agent are some of the crucial factors influenced the catalytic activity of DMC complexes.
}, keywords = {aliphatic polycarbonate, CO2 utilization, Double-metal cyanide complex, heterogeneous catalysis, hyperbranched polyester}, issn = {0974-3626}, author = {Sebastian, Joby and Darbha, Srinivas} } @article { ISI:000331861300008, title = {Solid-state NMR investigations of a MgCl2 center dot 4(CH3)(2)CHCH2OH molecular adduct: a peculiar case of reversible equilibrium between two phases}, journal = {Journal of Physical Chemistry A}, volume = {118}, number = {7}, year = {2014}, month = {FEB}, pages = {1213-1219}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
MgCl2 center dot xROH molecular adducts are extensively employed as a support material for Ziegler-Natta polyolefin catalysis. However, their structural properties are not well understood. Recently, we reported on the preparation of an isobutanol adduct, MgCl2 center dot 4(CH3)(2)CHCH2OH (MgiBuOH) (Dalton Trans. 2012, 41, 11311), which is very sensitive to the preparation conditions, such as the temperature and refluxing time. For the present study, the structural properties of MgiBuOH adducts prepared under different conditions have been investigated thoroughly by solid-state NMR and nonambient XRD. Formation of two phases has been confirmed, and in situ variable temperature solid-state NMR measurements confirm the coexistence of two phases as well as the oscillation from one to another phase. It is expected that such molecular adducts could have a significant role in organic transformation reactions due to an oscillating structural component. An understanding of phase oscillation with the Mg2+ ion as the central metal ion might shed some light toward understanding various biological and structural functions.
}, issn = {1089-5639}, doi = {10.1021/jp412331s}, author = {Thushara, K. S. and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Gopinath, Chinnakonda S.} } @article { ISI:000335559100055, title = {Solvothermal synthesis of mesoporous manganese oxide with enhanced catalytic activity for veratryl alcohol oxidation}, journal = {RSC Advances}, volume = {4}, number = {37}, year = {2014}, month = {APR}, pages = {19450-19455}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Catalyst activities of manganese and cobalt oxides prepared by solvothermal and co-precipitation methods were studied for veratryl alcohol oxidation. Manganese oxides showed higher activity performance than that of cobalt oxides irrespective of the method of preparation. The solvothermal method yielded mesoporous manganese oxide without using any template giving mixed phases of monoclinic Mn5O8 and hausmannite Mn3O4. The mesoporous manganese oxide exhibited excellent activity for liquid phase aerobic oxidation of veratryl alcohol under base free conditions, with 90\% conversion and almost complete selectivity towards veratraldehyde. The detailed characterization results on morphology, size and composition of the prepared mesoporous manganese oxide obtained by XRD, XPS, H-2-TPR, N-2 adsorption-desorption isotherms, FESEM and HR-TEM techniques were used to understand the role of morphological and structural features in enhancement of the observed catalytic activity.
}, issn = {2046-2069}, doi = {10.1039/c4ra00184b}, author = {Jha, Ajay and Chandole, Tejansh and Pandya, Rajan and Roh, Hyun-Seog and Rode, Chandrashekhar V.} } @article { ISI:000345295000001, title = {Special issue section commemorating Prof. J. B. Joshi}, journal = {Canadian Journal of Chemical Engineering}, volume = {92}, number = {12}, year = {2014}, month = {DEC}, pages = {2011-2012}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, issn = {0008-4034}, doi = {10.1002/cjce.22069}, author = {Nandakumar, K. and Kulkarni, A.} } @article { ISI:000344244700034, title = {Specific probe for Hg2+ to delineate even H+ in pure aqueous buffer/Hct116 colon cancer cells: Hg(II)-eta(2)-arene pi-interaction and a TBET-based fluorescence response}, journal = {Chemical Communications}, volume = {50}, number = {92}, year = {2014}, month = {SEP}, pages = {14421-14424}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new molecular probe that demonstrates a distinct TBET process, induced by the Hg(II)-eta(2)-arene pi-interaction, in pure aqueous medium with a large pseudo-Stokes shift of 200 nm.
}, issn = {1359-7345}, doi = {10.1039/c4cc06740a}, author = {Reddy, Upendar G. and Ramu, Vadde and Roy, Sovan and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000336013600030, title = {Spectroscopic and antibacterial studies of new octaazamacrocyclic complexes derived from carbohydrazide and isatin}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {128}, year = {2014}, month = {JUL}, pages = {243-247}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A novel series of the macrocyclic complexes of the type: [M(C18H14N10O2)X-2], where M = Co(II), Ni(II), Cu(II) and Zn(II); X = Cl-, NO3- and CH3COO-, has been synthesized by template condensation of carbohydrazide and isatin in methanolic medium. The complexes were characterized by various physico-chemical techniques, such as elemental analyses, molar conductance measurements, magnetic measurements, and electronic, NMR, IR and EPR spectral studies. The low value of molar conductance indicates them to be non-electrolytes. Based on various studies, a distorted octahedral geometry was proposed for all the metal complexes. Metal complexes were tested for their in vitro antibacterial activities against some pathogenic bacterial strains and compared with standard antibiotic, Ciprofloxacin. Some of the tested complexes was found effective against Gram-positive bacterial strains. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Carbohydrazide, Isatin, Macrocyclic complexes, MIC, Template condensation}, issn = {1386-1425}, doi = {10.1016/j.saa.2014.02.128}, author = {Kumar, Krishan and Kamboj, Monika and Jain, Kiran and Singh, D. P.} } @article { ISI:000348532300001, title = {Spontaneous jamming and unjamming in a hopper with multiple exit orifices}, journal = {Physical Review E}, volume = {90}, number = {2}, year = {2014}, month = {AUG}, pages = {020201}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
We show that the flow of granular material inside a two-dimensional flat bottomed hopper is altered significantly by having more than one exit orifice. For hoppers with small orifice widths, intermittent flow through one orifice enables the resumption of flow through the adjacent jammed orifice, thus displaying a sequence of jamming and unjamming events. Using discrete element simulations, we show that the total amount of granular material (i.e., avalanche size) emanating from all the orifices combined can be enhanced by about an order of magnitude difference by simply adjusting the interorifice distance. The unjamming is driven primarily by fluctuations alone when the interorifice distance is large, but when the orifices are brought close enough, the fluctuations along with the mean flow cause the flow to unjam.
}, issn = {1539-3755}, doi = {10.1103/PhysRevE.90.020201}, author = {Kunte, Amit and Doshi, Pankaj and Orpe, Ashish V.} } @article { ISI:000340526400001, title = {Stable silanone with a three-coordinate silicon atom: a century-long wait is over}, journal = {Angewandte Chemie-International Edition}, volume = {53}, number = {34}, year = {2014}, month = {AUG}, pages = {8820-8822}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {cations, germanones, Ketones, silanones, transition metals}, issn = {1433-7851}, doi = {10.1002/anie.201404793}, author = {Sen, Sakya S.} } @article { ISI:000344384000010, title = {Static and dynamic photoluminescence and photocatalytic properties of uniform, monodispersed up/down-converting, highly luminescent, lanthanide-ion-doped beta-NaYF4 phosphor microcrystals with controlled multiform morphologies}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {45}, year = {2014}, month = {SEP}, pages = {19189-19200}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Lanthanide-ion-doped, single-crystalline hexagonal phase NaYF4 microcrystals with multiform morphologies, such as microrods, hexagonal microprisms, and spindle-like structures, were fabricated via a cationic/anionic binary capping agent system: CTAB and a tri-sodium citrate-assisted hydrothermal route. The influence of synthesis conditions on the crystalline morphology was studied and the possible growth mechanisms are presented systematically. The down-conversion and up-conversion photoluminescence (PL) properties of beta-NaYF4:Ln(3+) (Ln = Tb, Yb/Er, and Yb/Tm) were investigated. The static and dynamic PL studies of beta-NaYF4:5\% Tb3+ showed strong dependence of luminescent properties on the crystalline morphology. Furthermore, the beta-NaYF4:5\% Tb3+ phosphors exhibited efficient photocatalytic activity under UV as well as solar light irradiation, and showed enhanced selectivity towards methylene blue. Moreover, the morphological effect on the photocatalytic activity of beta-NaYF4:5\% Tb3+ crystals has also been studied. The high luminescence efficiency and strong photocatalytic activity of beta-NaYF4:5\% Tb3+ make them a potential phosphor material and promise to provide a gateway into other applications as in biology and materials sciences.
}, issn = {2050-7488}, doi = {10.1039/c4ta04274c}, author = {Padhye, Preeti and Poddar, Pankaj} } @article { ISI:000341653300004, title = {Status of membrane distillation for water and wastewater treatment-a review}, journal = {Desalination and Water Treatment}, volume = {52}, number = {28-30}, year = {2014}, month = {AUG}, pages = {5199-5218}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
Membrane distillation (MD) is a promising separation technique for water treatment. It is a nonisothermal process known since 1963. However, this technology still needs to be developed for its industrial implementation for different purposes. This paper presents a status review of MD based on the available published literatures and on preliminary analysis. The review covers the concept, membranes and modules design, configurations, performance parameters, fouling phenomena, the heat and mass transfer phenomena, applications, energy assessment, heat integration, and Memstill technology of MD process. Earlier study indicates that the permeate quality obtained by MD is stable and practically independent on the feed concentrations. The permeate flux is strongly affected by the feed temperature, feed flow rate, vacuum pressure in vacuum MD, and the boundary layer heat transfer coefficient. The permeate flux obtained in the literature of MD process is disagree by an order of enormity and hence better experimental work is needed. The less attention was found in the literature towards the removal of organic and inorganic toxic constituents from the groundwater by MD process.
}, keywords = {Fouling, Membrane configuration, Membrane design, Membrane distillation, wastewater}, issn = {1944-3994}, doi = {10.1080/19443994.2013.808422}, author = {Pangarkar, Bhausaheb L. and Sane, Mukund G. and Parjane, Saroj B. and Guddad, Mahendra} } @article { ISI:000336733100003, title = {Steady state fluorescence studies of wild type recombinant cinnamoyl CoA reductase (Ll-CCRH1) and its active site mutants}, journal = {Journal of Fluorescence}, volume = {24}, number = {3}, year = {2014}, month = {MAY}, pages = {665-673}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Fluorescence quenching and time resolved fluorescence studies of wild type recombinant cinnamoyl CoA reductase (Ll-CCRH1), a multitryptophan protein from Leucaena leucocephala and 10 different active site mutants were carried out to investigate tryptophan environment. The enzyme showed highest affinity for feruloyl CoA (K (a) = 3.72 x 10(5) M-1) over other CoA esters and cinnamaldehydes, as determined by fluorescence spectroscopy. Quenching of the fluorescence by acrylamide for wild type and active site mutants was collisional with almost 100 \% of the tryptophan fluorescence accessible under native condition and remained same after denaturation of protein with 6 M GdnHCl. In wild type Ll-CCRH1, the extent of quenching achieved with iodide (f (a) = 1.0) was significantly higher than cesium ions (f (a) = 0.33) suggesting more density of positive charge around surface of trp conformers under native conditions. Denaturation of wild type protein with 6 M GdnHCl led to significant increase in the quenching with cesium (f (a) = 0.54), whereas quenching with iodide ion was decreased (f (a) = 0.78), indicating reorientation of charge density around trp from positive to negative and heterogeneity in trp environment. The Stern-Volmer plots for wild type and mutants Ll-CCRH1 under native and denatured conditions, with cesium ion yielded biphasic quenching profiles. The extent of quenching for cesium and iodide ions under native and denatured conditions observed in active site mutants was significantly different from wild type Ll-CCRH1 under the same conditions. Thus, single substitution type mutations of active site residues showed heterogeneity in tryptophan microenvironment and differential degree of conformation of protein under native or denatured conditions.
}, keywords = {Active site mutants, Cinnamoyl CoA reductase, fluorescence, Ligand binding, Solute quenching}, issn = {1053-0509}, doi = {10.1007/s10895-013-1343-2}, author = {Sonawane, Prashant and Vishwakarma, Rishi Kishore and Singh, Somesh and Gaikwad, Sushama M. and Khan, Bashir Mohammad} } @article { ISI:000339494600024, title = {Stereoselective approach to 2,6-disubstituted piperidin-3-ol: synthesis of (-)-deoxoprosopinine and (+)-deoxoprosophylline}, journal = {European Journal of Organic Chemistry}, number = {22}, year = {2014}, month = {AUG}, pages = {4897-4902}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A simple and highly efficient approach to an enantioenriched 2,6-disubstituted piperidin-3-ol skeleton is developed from an aldehyde as a starting material by using organocatalytic and asymmetric dihydroxylation as the key steps. Its application to the total synthesis of (-)-deoxoprosopinine and (+)-deoxoprosophylline is also reported.
}, keywords = {alkaloids, Amination, Amino alcohols, synthetic methods, Wittig reactions}, issn = {1434-193X}, doi = {10.1002/ejoc.201402363}, author = {Jha, Vishwajeet and Kauloorkar, Shruti Vandana and Kumar, Pradeep} } @article { ISI:000337129000023, title = {Stereoselective approach to indolizidine and pyrrolizidine alkaloids: total synthesis of (-)-lentiginosine, (-)-epi-lentiginosine and (-)-dihydroxypyrrolizidine}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {25}, year = {2014}, month = {MAY}, pages = {4454-4460}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple and highly efficient approach to hydroxylated pyrrolizidine and indolizidine is developed from an aldehyde as a starting material using organocatalytic and asymmetric dihydroxylation reactions as key steps. Its application to the total synthesis of (-)-lentiginosine, (-)-epi-1,2-lentiginosine and (-)-dihydroxypyrrolizidine is also reported.
}, issn = {1477-0520}, doi = {10.1039/c4ob00461b}, author = {Kauloorkar, Shruti Vandana and Jha, Vishwajeet and Jogdand, Ganesh F. and Kumar, Pradeep} } @article { ISI:000345660300032, title = {Stereospecific synthetic approach towards tamiflu using the ramberg-backlund reaction from cysteine hydrochloride}, journal = {RSC Advances}, volume = {4}, number = {107}, year = {2014}, month = {NOV}, pages = {62281-62284}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The stereospecific formal synthesis of Tamiflu from L-cysteine hydrochloride as the chiral source is described. The notable feature of the present strategy is the Ramberg-Backlund reaction and Sharpless-Reich protocol as the key chemical transformations to access the cyclohexene skeleton of Tamiflu.
}, issn = {2046-2069}, doi = {10.1039/c4ra10391b}, author = {Chavan, Subhash P. and Chavan, Prakash N. and Gonnade, Rajesh G.} } @article { ISI:000331848900023, title = {Stress inducible proteomic changes in capsicum annuum leaves}, journal = {Plant Physiology and Biochemistry}, volume = {74}, year = {2014}, month = {JAN}, pages = {212-217}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {
Herbivore attack induces defense responses in plants, activating several signaling cascades. As a result, molecules deterrent to the herbivores are produced and accumulated in plants. Expression of defense mechanism/traits requires reorganization of the plant metabolism, redirecting the resources otherwise meant for growth. In the present work, protein profile of Capsicum annuum leaves was examined after herbivore attack/induction. Majority of proteins identified as differentially accumulated, were having roles in redox metabolism and photosynthesis. For example, superoxide dismutase and NADP oxidoreductase were upregulated by 10- and 6-fold while carbonic anhydrase and fructose-1,6-bisphosphatase were downregulated by 9- and 4-fold, respectively. Also, superoxide dismutase, NADPH quinone oxidoreductase and NADP dependent isocitrate dehydrogenase transcripts showed a higher accumulation in induced leaf tissues at early time points. In general, proteins having role in defense and damage repair were upregulated while those involved in photosynthesis appeared downregulated. Thus metabolic reconfiguration to balance defense and tolerance was evident in the stress-induced leaves. (C) 2013 Elsevier Masson SAS. All rights reserved.
}, keywords = {Capsicum annuum, Oxidative stress, Wounding}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2013.11.017}, author = {Mahajan, Neha S. and Mishra, Manasi and Tamhane, Vaijayanti A. and Gupta, Vidya S. and Giri, Ashok P.} } @article {46396, title = {Structural basis of Iridoid synthase mediated cyclization of 10-oxogeranial}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C270}, type = {Meeting Abstract}, keywords = {Cryo-EM, iridoid synthase, Single Particle reconstruction}, issn = {2053-2733}, author = {Sandholu, Anandsukeerthi and H. V. Thulasiram and Sengupta, Jayati and Kulkarni, Kiran} } @article {46376, title = {Structural characterization of a UbiA superfamily member of archaeal origin}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C401}, type = {Meeting Abstract}, keywords = {Lipid biosynthesis, UbiA superfamily}, issn = {2053-2733}, author = {Boral, Debjyoti and Ramasamy, Suresh Kumar} } @article { ISI:000345082000021, title = {Structural diversity in serine derived homochiral metal organic frameworks}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {5, SI}, year = {2014}, month = {SEP}, pages = {1399-1408}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Two new Zn(II) and Cd(II) based homochiral metal-organic frameworks (MOFs) [SerCdOAc and Zn(Ser)(2)] have been synthesized using pyridyl functionalized amino acid, viz., serine, as an organic linker. The SerCdOAc structure is three dimensional, while that of the Zn(Ser)(2) is two dimensional. The polar voids of the corresponding MOFs are filled with solvent molecules (water in the case of SerCdOAc and methanol in the case of Zn(Ser)(2)). In both cases, metal centres, i.e., Zn(II) and Cd(II), are hexacoordinated. However, with a change in the solvent for synthesis, ligand coordination mode and incorporation of additional coordinated anion resulted in a great change in the final MOF architecture. Herein, for the first time, we could achieve structural variety and synthesize MOFs composed of only metal ion and pyridyl functionalized amino acid linker.
}, keywords = {Amino acid, crystal engineering, hydrogen bonding, metal organic framework}, issn = {0974-3626}, doi = {10.1007/s12039-014-0714-9}, author = {Kundu, Tanay and Banerjee, Rahul} } @article { ISI:000329266500032, title = {Structural investigations of porous MgCl2-2-butanol molecular adduct as support for olefin polymerization}, journal = {Applied Catalysis A-General}, volume = {469}, year = {2014}, month = {JAN}, pages = {267-274}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A new heterogeneous Ziegler-Natta (Z-N) catalyst support material, MgCl2 center dot 4(CH3CH(OH)CH2CH3) (Mg2BuOH) has been synthesized. 2-Butanol, a linear, secondary alcohol was chosen for the generation of an active MgCl2 support which results in a Z-N catalyst with TiCl4. Significant feature of this work is the formation of rod shaped molecular adduct with highly porous character. Adduct material is characterized by XRD, TG-DTA, Raman spectroscopy, solid-state NMR and SEM. Activity of the Z-N catalyst supported on Mg2BuOH for ethylene polymerization is comparable with that of commercially available heterogeneous Z-N catalyst. However, there is scope to improve the activity by optimizing textural properties. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {heterogeneous catalysis, MgCl2, Molecular adduct, NMR, Polyolefin, Ziegler-Natta catalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.10.002}, author = {Thushara, K. S. and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Gopinath, Chinnakonda S.} } @article {46391, title = {Structural studies on an atypical Rho GTPase RhoH}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C389}, type = {Meeting Abstract}, keywords = {lymphoma, RhoH, TCR signalling}, issn = {2053-2733}, author = {Motiwala, Zenia and Kulkarni, Kiran} } @article { ISI:000331861500013, title = {Structure and dynamics of benzyl-NX3 (X = Me, Et) trifluoromethanesulfonate ionic liquids}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {7}, year = {2014}, month = {FEB}, pages = {1831-1838}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Ammonium-based benzyl-NX3 (X = methyl, ethyl) trifluoromethanesulfonate (TFA) ionic liquids (ILs) are low cost, nontoxic, thermally stable ion-conducting electrolytes in fuel cells and batteries. In the present study, we have characterized the structure and dynamics of these ILs using molecular dynamics (MD) simulations and ionic conductivity using electro-chemical impedance spectroscopy (EIS) at varying temperature and relative humidity (RH). Results from MD simulations predict that cation-cation and cation-anion interactions are stronger in benzyltrimethylammonium (BzTMA) compared to benzyltriethylammonium (BzTEA) that diminish with increase in RH. Further, the BzTMA cations show both C-H/Ph (center of mass of phenyl ring) and cation-Ph interactions whereas BzTEA cations show only strong cation-Ph interactions. The C-H/Ph interactions (psi \>= 90 degrees, d(H-Ph) \<= 4 angstrom, theta \< 50 degrees and d(C.Ph) \<= 4.3 angstrom) in BzTMA cations increase with RH and are highest at RH = 90\%. The cumulative impact of electrostatic, cation/Ph, and C-H/Ph interactions results in lower conductivity of BzTMA-TFA IL compared to BzTEA-TFA IL. The EIS measurements show that the trends in ionic conductivity of ILs at RH = 30 and 90\% are qualitatively similar to the Nernst-Einstein conductivity from MD simulations. The ionic conductivity of BzTEA-TFA IL is similar to 3 times higher than BzTMA-TFA IL at 353 K and RH = 90\%.
}, issn = {1520-6106}, doi = {10.1021/jp410487a}, author = {Sunda, Anurag Prakash and Dhavale, Vishal M. and Kurungot, Sreekumar and Venkatnathan, Arun} } @article { ISI:000338423600051, title = {Structure function attributes of gold nanoparticle vaccine association: effect of particle size and association temperature}, journal = {International Journal of Pharmaceutics}, volume = {471}, number = {1-2}, year = {2014}, month = {AUG}, pages = {439-448}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Many biotherapeutic applications of gold nanoparticles make use of conjugated or adsorbed protein moieties. Physical parameters of association such as particle size, morphology, surface chemistry and temperature influences the protein-nanoparticle association and thereby their interaction with the biological environment. In present study, effect of size of chitosan reduced gold nanoparticles (CsAuNPs) and association temperature on structure and function of tetanus toxoid (TT) vaccine has been investigated. CsAuNPs were synthesized in the sizes of 20 + 3, 40 + 5 and 80 + 7 nm followed by loading of TT. Binding process of CsAuNPs with TT was investigated at their predetermined micro molar concentrations. Upon binding of TT onto CsAuNPs, particle surface was characterized using X-ray photoelectron spectroscopy. CD spectroscopic evaluation of TT bound 20 nm CsAuNPs led to 75\% reduction in secondary structure of TT and thereby compromised immune function. Binding of TT with 40 and 80 nm sized CsAuNPs did not cause significant modifications in secondary structure or function of TT. Thermodynamic studies using temperature dependent fluorescence spectroscopy revealed an increase in association constants with the temperature. Based on thermodynamic data three phases in CsAuNPs and TT association process were traced. Samples from these distinct phases were also investigated for immunological recognition. Ex-vivo interaction of TT-CsAuNPs with TT positive and negative sera followed by relative change in particle size and zeta potential was studied. The findings here suggests prominent role of particle size and association temperature on adsorbed TT structure and function. Such studies may help in engineering functional nanotherapeutics. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Association thermodynamics, Gold nanoparticle, Nanoparticle protein interaction, Structure function studies, Vaccine formulation}, issn = {0378-5173}, doi = {10.1016/j.ijpharm.2014.06.002}, author = {Barhate, Ganesh A. and Gaikwad, Sushama M. and Jadhav, Suresh S. and Pokharkar, Varsha B.} } @article {46378, title = {Structure of highly active BSH enzyme with subordinated post-translational excision}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C272}, type = {Meeting Abstract}, keywords = {Bile salt hydrolase, Mutagenesis, X-ray crystallography}, issn = {2053-2733}, author = {Chand, Deepak and Panigrahi, Priyabrata and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000337786700050, title = {Structure sensitive chemical reactivity by palladium concave nanocubes and nanoflowers synthesised by a seed mediated procedure in aqueous medium}, journal = {Nanoscale}, volume = {6}, number = {13}, year = {2014}, month = {JUN}, pages = {7496-7502}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Palladium nanocubes and their transformation to concave nanocubes and nanoflowers are realised by a seed mediated procedure in aqueous medium and at room temperature using cationic surfactants. The concave nanocubes and nanoflowers were found to be enclosed by high index facets. The under coordinated atoms present on the high index facets make these nanostructures chemically more active towards Suzuki coupling and Heck coupling reactions compared to the conventional nanocubes and spherical nanoparticles of similar size.
}, issn = {2040-3364}, doi = {10.1039/c4nr01283f}, author = {Sreedhal, S. and Sudheeshkumar, V. and Vinod, C. P.} } @article { ISI:000332188200009, title = {Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation}, journal = {Journal of Physical Chemistry A}, volume = {118}, number = {8}, year = {2014}, month = {FEB}, pages = {1350-1362}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report a comparative single-reference and multireference coupled-cluster investigation on the structure, potential energy surface, and IR spectroscopic properties of the trans peroxo nitrate radical, one of the key intermediates in stratospheric NOx chemistry. The previous single-reference ab initio studies predicted an unbound structure for the trans peroxo nitrate radical. However, our Fock space multireference coupled-cluster calculation confirms a bound structure for the trans peroxo nitrate radical, in accordance with the experimental results reported earlier. Further, the analysis of the potential energy surface in FSMRCC method indicates a well-behaved minima, contrary to the shallow minima predicted by the single-reference coupled-cluster method. The harmonic force field analysis, of various possible isomers of peroxo nitrate also reveals that only the trans structure leads to the experimentally observed IR peak at 1840 cm(-1). The present study highlights the critical importance of nondynamic correlation in predicting the structure and properties of high-energy stratospheric NOx radicals.
}, issn = {1089-5639}, doi = {10.1021/jp409218c}, author = {Dutta, Achintya Kumar and Dar, Manzoor and Vaval, Nayana and Pal, Sourav} } @article { ISI:000344998700012, title = {Structure-property relationship in charge transporting behaviour of room temperature liquid crystalline perylenebisimides}, journal = {Journal of Materials Chemistry C}, volume = {2}, number = {46}, year = {2014}, month = {OCT}, pages = {9882-9891}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A homologous series of pentadecyl phenol functionalized perylenebisimide (PBI) terminated with trialkoxy gallate esters was synthesized, where the terminal alkyl chain length was varied from n = 4 to 12 (PBI-En). The thermotropic liquid crystalline (LC) characteristics of the molecules were analyzed using differential scanning calorimetry (DSC), polarized light microscopy (PLM) combined with variable temperature wide angle X-ray diffraction (WXRD) techniques. A clear odd-even oscillation was observed in the melting as well as isotropization enthalpies as a function of alkyl spacer length in the terminal gallate unit, with the even spacers exhibiting higher values. The higher members of the series with n \> 8 exhibited thermotropic liquid crystalline textures in the PLM, which remained stable until room temperature. The nature of the LC phase was identified to be columnar rectangular and columnar hexagonal based on detailed analysis of the WXRD pattern recorded in the LC phase. The WXRD pattern of the room temperature LC frozen samples indicated a nearly constant intra columnar stack distance of similar to 3.7 angstrom for all the members. The space-charge-limited current (SCLC) values of the LC frozen sample films were analyzed for dependence of the bulk mobility estimate on the nature of the LC phase. The columnar hexagonal phase exhibited a mobility value one order (10(-3) cm(2) V-1 s(-1)) higher than that of crystalline (10(-4) cm(2) V-1 s(-1)) and two orders higher than that of columnar rectangular phase (10(-5) cm(2) V-1 s(-1)), indicating a strong dependence of packing on bulk mobility.
}, issn = {2050-7526}, doi = {10.1039/c4tc01806k}, author = {Prajitha, K. P. and Chithiravel, Sundaresan and Krishnamoorthy, K. and Asha, S. K.} } @article { ISI:000335660200006, title = {Studies on morphology of polyaniline films formed at liquid-liquid and solid-liquid interfaces at 25 and 5 A degrees C, respectively, and effect of doping}, journal = {Colloid and Polymer Science}, volume = {292}, number = {5}, year = {2014}, month = {MAY}, pages = {1079-1089}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
It is well accepted that the morphology of the nanomaterials has great effect on the properties and hence their applications. Therefore, morphology of materials has become a focus of research in the scientific world. The present study shows that interfacial polymerization and subsequent self-assembly provides a control over the morphology, nanorod/nanosheet, of polyaniline (PANI) films synthesized by liquid-liquid interface reaction technique and solid-liquid interface reaction technique. The synthesized PANI films and its particulate structure are characterized by using various spectroscopic techniques such as UV-visible, ATR-IR, Raman and XPS. The study confirmed the formation, the structure, the size and shape of particles and morphology of PANI by using analytical techniques namely, SAED, SEM and TEM. An important observation is that doping with HCl significantly improves the nanorod formation at the interface. The doped PANI electrode exhibits a higher area with rectangular shape in CV cycle and better cycle stability when compared with the performance of undoped PANI films. We believe that the results of these studies can give valuable leads to manoeuvre formation of PANI films with desired morphology for various applications.
}, keywords = {interfacial polymerization, Liquid-liquid interface, Nanorods, nanosheets, polyaniline, Self-assembly, Solid-liquid interface, Thin films}, issn = {0303-402X}, doi = {10.1007/s00396-013-3150-3}, author = {Waghmode, Babasaheb J. and Patil, Sagar H. and Jahagirdar, Mandar M. and Patil, Virendra S. and Waichal, Rupali P. and Malkhede, Dipalee D. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article { ISI:000329554400013, title = {Studies on the effect of sintering conditions on the magnetostriction characteristics of cobalt ferrite derived from nanocrystalline powders}, journal = {Journal of the European Ceramic Society}, volume = {34}, number = {3}, year = {2014}, month = {MAR}, pages = {677-686}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
The effect of sintering conditions on the magnetostriction characteristics of sintered cobalt ferrite derived from nanocrystalline powders is studied. It is observed that the magnetostriction coefficient as well as the slope of the magnetostriction as a function of field depends on the microstructure of the sintered product. There is a direct correlation between the magnetostriction characteristics and density as well as porosity of the sintered products. Intragranular pores are found to be strongly influencing the magnetostriction characteristics. Similarly, correlation is found between the magnetostriction parameters and the Curie temperature, indicating the role of cation distribution which affects the magnetic anisotropy. Sintering the compacts made from nanocrystalline powders at 1450 degrees C for a very short duration is found to give high values of magnetostriction coefficient. However, higher values of magnetostriction at low magnetic fields are obtained for samples sintered at lower temperatures for longer duration and having relatively lower density. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Cobalt ferrite, Magnetostriction, Microstructure, Nanocrystalline, Sintering}, issn = {0955-2219}, doi = {10.1016/j.jeurceramsoc.2013.09.018}, author = {Mohaideen, Kamal Khaja and Joy, Pattayil Alias} } @article { ISI:000346624500001, title = {Study of base-catalyzed aldol reaction of trimethylsilyl enolates}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {53}, number = {12}, year = {2014}, month = {DEC}, pages = {1553-1560}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
Mukaiyama-type aldol reaction of trimethylsilyl enolates with aldehydes in the presence of a base is a complicated reaction. It usually results in various products determined by the nature of base and reaction medium. The present study has been undertaken to understand these factors and design new Lewis base catalysts to optimize the yield of desired aldol product. It has been shown that mild Bronsted base with inbuilt hydrogen bonding sites are efficient catalysts for the reactions involving trimethylsilyl enolates. Based on the observed results, a mechanism is proposed to explain the reaction outcome.
}, keywords = {Aldol reaction, base catalyzed, carboxylate salts, lithium amides}, issn = {0376-4699}, author = {Sutar, R. L. and Joshi, Navalkishore N.} } @article { ISI:000340538400005, title = {Subtilase from Beauveria sp.: conformational and functional investigation of unusual stability}, journal = {European Biophysics Journal With Biophysics Letters}, volume = {43}, number = {8-9}, year = {2014}, month = {SEP}, pages = {393-403}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Retention of total activity of the subtilisin-like serine protease from Beauveria sp. MTCC 5184 (Bprot) in the vicinity of (1) 3 M GdnHCl for 12 h, (2) 50 \% methanol and dimethyl sulfoxide each for 24 h, and (3) proteolytic enzymes (trypsin, chymotrypsin, and proteinase K) for 48 h led to expect the enzyme to be a kinetically stable protein. Also, the structure of the protein was stable at pH 2.0. Biophysical characterization and conformational transitions were monitored using steady-state and time-resolved fluorescence, FTIR, and CD spectroscopy. Single tryptophan in the protein exists as two conformers, in hydrophobic and polar environment. The secondary structure of Bprot was stable in 3 M GdnHCl as seen in far-UV CD spectra. The active fraction of Bprot obtained from size-exclusion chromatography in the presence of GdnHCl (1.0-3.0 M) eluted at reduced retention time. The peak area of inactive or denatured protein with the same retention time as that of native protein increased with increasing concentration of denaturant (1.0-4.0 M GdnHCl). However, the kinetics of GdnHCl-induced unfolding as studied from intrinsic fluorescence revealed k (unf) of native protein to be 5.407 x 10(-5) s(-1) and a half-life of 3.56 h. The enzyme is thermodynamically stable in spite of being resistant to the denaturant, which could be due to the effect of GdnHCl imparting rigidity to the active fraction and simultaneously unfolding the partially unfolded protein that exists in equilibrium with the folded active protein. Thermal and pH denaturation of Bprot exhibited interesting structural transitions.
}, keywords = {Beauveria, Chemical denaturation, Conformational transitions, Serine protease, Subtilase, Thermal denaturation, Thermodynamic stability}, issn = {0175-7571}, doi = {10.1007/s00249-014-0971-z}, author = {Dalal, Sayli A. and More, Snehal V. and Shankar, Shiv and Laxman, Ryali Seeta and Gaikwad, Sushama M.} } @article {46398, title = {Sulfonic acid loaded self-standing covalent organic membrane for proton conduction}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C1150}, type = {Meeting Abstract}, keywords = {COF, Membrane, proton conduction}, issn = {2053-2733}, author = {Sasmal, Himadri Sekhar and Banerjee, Rahul} } @article { ISI:000332188100002, title = {Superior grafting and state-of-the-art interfacial electron transfer rates for newly designed geminal dicarboxylate bound ruthenium(II)- and osmium(II)-polypyridyl dyes on TiO2 nanosurface}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {8}, year = {2014}, month = {FEB}, pages = {3864-3877}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Two new Ru(II)-/Os(II)-polypyridyl based sensitizer dyes with geminal dicarboxylic acid group as the binding unit for superior grafting of the dye to TiO2 have been designed and synthesized. Steady-state photochemical studies of the two sensitizer dyes in presence of TiO2 in water confirm strong binding of the dyes to TiO2. Femtosecond transient absorption studies of these newly synthesized dyes on TiO2 nanosurface have been carried out in water and the results have been compared with those for the corresponding 4,4{\textquoteright}-dicarboxy-2,2{\textquoteright}-bipyridine analogues of the dyes. While the charge recombination rates are considerably slower, interestingly, the electron injection rates are very fast for multiple saturated C-C linkages present between the chromophoric core and the anchoring moiety. The origin and the consequences of such profound effects on the ultrafast interfacial dynamics are discussed. This is the first report on the ultrafast transient absorption studies of dyes with geminal dicarboxylic acid binding groups, which we believe will add significantly to the present research efforts toward the development of robust and efficient dyes for use in dye solar applications.
}, issn = {1932-7447}, doi = {10.1021/jp4077917}, author = {Banerjee, Tanmay and Biswas, Abul Kalam and Reddy, Upendar G. and Sahu, Tuhin Subhra and Das, Amitava and Ganguly, Bishwajit and Ghosh, Hirendra Nath} } @article {46377, title = {Supramolecular gel to metal organic framework transformation}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C526}, type = {Meeting Abstract}, keywords = {gel, MOF, Supramolecular}, issn = {2053-2733}, author = {Chakraborty, Amit and Banerjee, Rahul} } @article { ISI:000340216300010, title = {Supramolecular P4VP-pentadecylphenol naphthatenebisimide comb-polymer: mesoscopic organization and charge transport properties}, journal = {Journal of Materials Chemistry C}, volume = {2}, number = {32}, year = {2014}, month = {AUG}, pages = {6511-6519}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A supramolecular comb polymer of pentadecyl phenol (PDP) substituted naphthalenebisimide (PDP-UNBI) with poly(4-vinylpyridine) (P4VP) is reported. The mesoscopic organization within the P4VP(PDP-UNBI), complexes was studied using wide-angle X-ray diffraction (WXRD) technicjues. The packing diagram obtained from the single-crystal XRD analysis of the PDP-UNBI crystals gave a clear picture of the initial arrangement present in self-associated PDP-UNBI alone. Correlating this with the XRD data of the hydrogen-bonded polymer complex provided insight into the probable packing of the P4VP chains within the crystalline lattice of PDP-UNBI leading to a highly ordered lamellar packing. Transmission electron microscopy (TEM) revealed the uniform mesomorphic lamellar structures in the domain range of similar to 5-10 nm. Furthermore, the charge carrier mobility measurements observed from space-charge-limited current (SCLC) measurements demonstrated that transport behaviour of the hydrogen-bonded P4VP(PDP-UNBI) complex (2 x 10(-2) cm(2) V-1 s(-1)) was comparable to that of the crystalline naphthalenebisimide molecule itself (9 x 10(-3) cm(2) V-1 s(-1)), which is a great achievement, since the complex now offers a package of solution-processable n-type semiconductor polymer with mobility equivalent to that of a small crystalline molecule.
}, issn = {2050-7526}, doi = {10.1039/c4tc00611a}, author = {Narayan, Rekha and Kumar, Prashant and Narayan, K. S. and Asha, S. K.} } @article {46372, title = {Supramolecular synthon hierarchy in bumetanide cocrystals}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {FEB}, pages = {C721}, type = {Meeting Abstract}, keywords = {Novel cocrystals of sulfonamide drug Bumetanide with carboxamides are developed based on supramolecular synthons approach}, issn = {2053-2733}, author = {Allu, Suryanarayana and Bolla, Geetha and Tothadi, Srinu and Nangia, Ashwini} } @article { ISI:000343613000075, title = {Supramolecular transitions in native cellulose-I during progressive oxidation reaction leading to quasi-spherical nanoparticles of 6-carboxycellulose}, journal = {Carbohydrate Polymers}, volume = {113}, year = {2014}, month = {NOV}, pages = {615-623}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Cellulose-I swells considerably in phosphoric acid, and converts to amorphous cellulose via a cellulose-II transition state. Controlled oxidation of cellulose-I to 6-carboxycellulose (6CC) using HNO3-H3PO4-NaNO2 oxidation system led to the selective production of 6CC{\textquoteright}s of varying carboxyl contents (1.7-22\%) as well as various shapes and sizes (macro-sized fibrils of several micron length and/or spherical nanoparticles of 25-35 nm), depending on the reaction conditions. 6CC{\textquoteright}s having less than 14\% carboxyl content were largely in cellulose-II form (WAXRD values in-between cellulose I and cellulose II), whereas at 14-22\% the 6CC{\textquoteright}s were largely amorphous; only trace crystallinity was observed at 19\% and 22\% carboxyl 6CC. Spherical nanoparticles retained a high degree of crystallinity having cellulose-I structure, whereas the macro-sized fibrils were largely converted to cellulose-II structure. Analysis by WAXRD as well as by CP-MAS C-13 NMR studies gave similar conclusions. Reduced molecular weight with progressive oxidation, including presence of oligomers, was also evident from an increase in the reducing-end carbon peak at similar to 92 ppm. For high oxidation levels (\>14\%) the NMR 92-96 ppm peaks disappeared on extracting with dilute alkali, due to soluble oligomers being removed. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Carboxycellulose, cellulose, Nanoparticles, NMR, WAXRD}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.07.056}, author = {Sharma, Priyanka R. and Rajamohanan, Pattuparambil R. and Varma, Anjanikumar} } @article { ISI:000341464100041, title = {Surface studies on benzophenone doped PDMS microstructures fabricated using KrF excimer laser direct write lithography}, journal = {Applied Surface Science}, volume = {314}, year = {2014}, month = {SEP}, pages = {292-300}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
his paper discusses microfabrication process for benzophenone doped polydimethylsiloxane (PDMS) using laser lithography. KrF excimer laser of 248 nm with 20 ns pulse width at repetition rate of 1 Hz was used for microfabrication of undoped and benzophenone doped PDMS. The doped-PDMS shows sensitivity below 365 nm, permitting processing under ambient light. The analysis of etch depth revealed that doped PDMS shows self developable sensitivity at lower fluence of similar to 250 mJ/cm(2). The unexposed and exposed surface was studied using Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and Scanning electron microscopy (SEM). Spectrocopic analysis indicated increase in C-O, C=O, Si-O-3 and Si-O-4 bonding at the expense of Si-C and Si-O-2 bonds of PDMS. In case of laser exposed doped-PDMS, removal of benzophenone from probe depth of spectroscopy was observed. Whereas the surface morphology of exposed and unexposed doped-PDMS was observed to be same, indicating clean development of PDMS micropattems. The present study indicates that addition of 3.0 wt.\% benzophenone in PDMS enhance self development sensitivity of PDMS. The self developable results on doped-PDMS are quite encouraging for its potential use in point of care Lab-On-Chip applications, for fabricating micropattems using direct write laser lithography technology.\
}, keywords = {Direct write laser lithography, Microfabrication, micropatterning, Poly(dimethylsiloxane) (PDMS)}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2014.06.054}, author = {Kant, Madhushree Bute and Shinde, Shashikant D. and Bodas, Dhananjay S. and Patil, K. R. and Sathe, V. G. and Adhi, K. P. and Gosavi, S. W.} } @article { ISI:000331191200046, title = {Surface synergism of an Ag-Ni/ZrO2 nanocomposite for the catalytic transfer hydrogenation of bio-derived platform molecules}, journal = {RSC Advances}, volume = {4}, number = {19}, year = {2014}, month = {FEB}, pages = {9730-9736}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Levulinic acid was completely and selectively converted to GVL, in the presence of formic acid over an Ag-Ni/ZrO2 catalyst. The synergism between Ag and Ni in transfer hydrogenation eliminates the need for external hydrogen, making the process safer. The magnetic nature of the catalyst offers easy recovery for efficient recycling. This approach is standardized for the hydrogenation of several C-3-C-6 platform molecules in an aqueous medium.
}, issn = {2046-2069}, doi = {10.1039/c3ra46495d}, author = {Hengne, Amol M. and Malawadkar, Atul V. and Biradar, Narayan S. and Rode, Chandrashekhar V.} } @article { ISI:000341779000037, title = {Surfactant free gram scale synthesis of mesoporous Ni(OH)(2)-r-GO nanocomposite for high rate pseudocapacitor application}, journal = {RSC Advances}, volume = {4}, number = {75}, year = {2014}, month = {AUG}, pages = {39875-39883}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report a single-step surfactant-free gram scale hydrothermal synthesis of mesoporous Ni(OH)(2) nanoparticles and the Ni(OH)(2)-reduced graphene oxide (Ni(OH)(2)-r-GO) nanocomposite. Interesting morphological features are noted. These nanomaterials are examined and compared as cathode materials for pseudo-capacitor application through detailed characterizations. A high specific capacitance (C-s) of 1538 F g(-1) is observed for Ni(OH)(2)-r-GO even at a high current density of 40 A g(-1), whereas at the same current rate, bare Ni(OH)(2) shows C-s of only 936 F g(-1).
}, issn = {2046-2069}, doi = {10.1039/c4ra06601d}, author = {Singh, Upendra and Banerjee, Abhik and Mhamane, Dattakumar and Suryawanshi, Anil and Upadhyay, Kush Kumar and Ogale, Satishchandra} } @article { ISI:000340017000020, title = {Sustainable polyacetals from isohexides}, journal = { Green Chemistry}, volume = {16}, number = {8}, year = {2014}, month = {AUG}, pages = {3810-3818}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A single step synthetic protocol to access a small family of renewable diacetals was established. The resultant chiral diacetals are valuable building blocks in pharmaceuticals and materials science. To demonstrate their synthetic competence, isohexide-diacetals (2a-c) were subjected to acetal metathesis polymerization and the corresponding polymers (poly2a-c) were isolated as white solids with molecular weights in the range 3200-27 600 (g mol(-1)). The semi-crystalline polymers displayed glass transition temperatures between 38-65 degrees C and melting temperatures in the range 103-156 degrees C. The isohexide derived polyacetats are stable under practical washing and rinsing conditions but degrade in slightly acidic media.
}, issn = {1463-9262}, doi = {10.1039/c4gc00543k}, author = {Rajput, B. S. and Gaikwad, S. R. and Menon, Shamal K. and Chikkali, Samir H.} } @article { ISI:000364541100006, title = {Syntheses, X-ray structures, catalytic activity and magnetic properties of two new coordination polymers of Co(II) and Ni(II) based on benzenedicarboxylate and linear N,N {\textquoteleft}-donor Schiff base linkers}, journal = {Inorganic Chemistry Frontiers}, volume = {1}, number = {5}, year = {2014}, month = {APR}, pages = {414-425}, abstract = {
{Two isostructural coordination polymers based on Co(II) and Ni(II), {[M(azpy)(3)(p-bdc)(2)(H2O)(4)]center dot(CH3OH)(2)(H2O)(3)}(n) [where M = Co (1) and Ni (2); azpy = N,N{\textquoteright}-bis-pyridin-4-ylmethylene-hydrazine and p-bdc = 1,4-benzenedicarboxylate], have been synthesized using mixed ligand systems at room temperature and characterized by single-crystal X-ray diffraction and other physicochemical methods. Structure determination reveals that both the complexes crystallize in the monoclinic space group C2/c and exhibit one-dimensional (1D) ladder like structures constructed by p-bdc and azpy ligands in which Schiff base (azpy) linkers serve as a bridging as well as pendent ligands. These pendent ligands are involved in H-bonding and pi-pi interactions with lattice water, methanol molecules and bridging azpy ligands, to form the 3D supramolecular structure. Notably, both the frameworks efficiently catalyze the Knoevenagel condensation reactions of a wide range of substituted benzaldehydes with active methylene compounds in heterogeneous medium under environmentally friendly conditions and the products were obtained in excellent yields. These catalysts were also found to exhibit excellent recyclability and re-usability without any significant loss of activity. A variable temperature magnetic study of both compounds was carried out and their magnetic properties justified on the basis of their crystal structure.
}, author = {Bhattacharya, Biswajit and Maity, Dilip Kumar and Pachfule, Pradip and Colacio, Enrique and Ghoshal, Debajyoti} } @article { ISI:000333205200038, title = {Synthesis and characterization of 3-[N,N {\textquoteleft}-bis-3-(salicylidenamino)ethyltriamine] Mo(VI)O-2@SBA-15: a highly stable and reusable catalyst for epoxidation and sulfoxidation reactions}, journal = {RSC Advances}, volume = {4}, number = {27}, year = {2014}, month = {MAR}, pages = {14063-14073}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The efficient and reusable oxidation catalyst 3-[N,N{\textquoteright}-bis-3-(salicylidenamino)ethyltriamine] Mo(VI)O-2@SBA-15 has been synthesized by the anchoring of the 3-[N,N-bis-3-(salicylidenamino)ethyltriamine] ligand (L or Salpr) on the inner surfaces of organofunctionalized SBA-15 and subsequent complexation with Mo(VI) O-2(acac)(2). The physico-chemical properties of the functionalized catalysts were analyzed by elemental analysis, ICP-OES, XRD, N-2-sorption measurements, TG \& DTA, solid state C-13, Si-29 NMR spectroscopy, FT-IR, Raman spectroscopy, XPS, DRS UV-Vis spectroscopy, SEM and TEM. XRD and N-2 sorption analyses helped to find out the morphological and textural properties of the synthesized catalysts and confirm that an ordered mesoporous channel structure was retained even after the multistep synthetic procedures. The (100), (110) and (200) reflections in SBA-15 provide hints of a good structural stability, the existence of long range ordering and a high pore wall thickness. TG and DTA results reveal that the thermal stability of (L)Mo(VI)O-2@SBA-15 was maintained up to 300 degrees C. The organic moieties anchored over the surface of the SBA-15 support were determined by solid state C-13 NMR and FT-IR spectroscopy. Further, solid state Si-29 NMR spectroscopy provides the information about the degree of functionalization of the surface silanol groups with the organic moiety. The electronic environment and the oxidation state of the molybdenum site in (L)Mo(VI)O-2@SBA-15 were monitored by Raman spectroscopy, XPS and DRS UV-Vis techniques. Moreover, the morphology and topographic information of the synthesized catalysts were confirmed by SEM and TEM imaging. The synthesized catalysts were evaluated in epoxidation and sulfoxidation reactions, and the results show that (L)Mo(VI)O-2@SBA-15 exhibits high conversion and selectivity towards epoxidation and sulfoxidation reactions in combination with high stability. The anchored solid catalysts can be recycled effectively and reused several times without major loss in activity. In addition, Sheldon{\textquoteright}s hot filtration test was also carried out.
}, issn = {2046-2069}, doi = {10.1039/c3ra47222a}, author = {Lazar, Anish and Thiel, Werner R. and Singh, A. P.} } @article { ISI:000333231700009, title = {Synthesis and characterization of azoxy based mesogenic diols}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {53}, number = {3}, year = {2014}, month = {MAR}, pages = {359-362}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
Azoxy based rigid mesogenic diols have been synthesized using two steps. Phenol/cresol is used as starting material. Synthesized diols are characterized by IR, H-1 and C-13 NMR, and mass spectroscopic methods. Thermal properties have been determined by thermo gravimetric analysis method and crystallinity patterns have been obtained by wide angle X-ray diffiactogram. Substituted phenol (methyl) is used to study the effect of substitution on physical and thermal properties of rigid azoxy mesogenic diol. The detailed characterization of azoxy based rigid diols is reported in this communication, which is highly useful for fundamental and applied research, particularly in liquid crystals and liquid crystalline polymers. The experimental results reveal that phenol based rigid mesogenic diols have high thermal stability and degree of crystallinity than methyl substituted rigid mesogenic diols.
}, keywords = {Azoxy, degree of crystallinity, diol, mesogen, phenol, thermal stability}, issn = {0376-4699}, author = {Mulani, Khudbudin Baban and Ganjave, Nitin V. and Chavan, Nayaku} } @article { ISI:000343341100006, title = {Synthesis and characterization of hypercrosslinked hydroxyl functionalized co-polymer beads}, journal = {European Polymer Journal}, volume = {59}, year = {2014}, month = {OCT}, pages = {46-58}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Hydroxyl functionalized beaded copolymers were synthesized from 2-hydroxy ethyl methacrylate by suspension polymerization using two different crosslinking agents (EDMA, DVB) and diluents (1,1,2,2-tetrachloroethane, 1,2-dichlorobenzene). Microporous beads with high surface area were successfully synthesized and characterized by different techniques. Maximum surface area obtained was 564 m(2)/g bearing uniform, spherical as well as non-aggregation images of beads. Thermal properties such as DTG and DSC reveal that, type of crosslinker (flexible/rigid) is major while its concentration is minor parameter that affect decomposition and softening temperature of copolymer. Swelling ratio of copolymer beads was examined as a function of crosslinker and crosslink density. Swelling behavior is in accordance with copolymer-solvent interaction parameter. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Copolymer, Morphology, surface area, Suspension polymerization, Swelling ratio}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2014.07.001}, author = {Mane, Sachin and Ponrathnam, Surendra and Chavan, Nayaku} } @article { ISI:000336353000001, title = {Synthesis and characterization of triad based rigid mesogenic diols derived from hydroquinone and 4-hydroxybenzoic acid}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {53}, number = {5}, year = {2014}, month = {MAY}, pages = {591-596}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
Triad based rigid mesogenic diols have been synthesized by four step synthesis method using protection-deprotection method. Hydroquinone and 4-hydroxy benzoic acid have been used as starting materials. Synthesized diols have been characterized by IR, H-1 and C-13 NMR, and mass spectroscopic methods. Thermal properties have been determined by thermo gravimetric analysis method and degree of crystallinity have been measured by wide angle X-ray technique. Substituted hydroquinones (methyl and chloro) have been used to study the effect of substitution on physical and thermal properties. Synthesis of rigid mesogenic diol monomer using p-hydroxy benzoic acid and hydroquinone is reported, which is a facile route. Hydrolysis of diacetate derivatives of rigid mesogenic diols is performed in good yields, even though two types of ester groups present in the same moiety, aromatic and aliphatic. The experimental results reveal that hydroquinone based rigid triad mesogenic diol have high thermal stability and degree of crystallinity as compared to methyl-and chloro-substituted rigid triad mesogenic diols.
}, keywords = {degree of crystallinity, ester hydrolysis, Mesogenic diols, spectral properties, Thermal properties}, issn = {0376-4699}, author = {Mulani, Khudbudin Baban and Ganjave, Nitin V. and Chavan, Nayaku} } @article { ISI:000341939000041, title = {Synthesis and electrochemical performance of a single walled carbon nanohorn-Fe3O4 nanocomposite supercapacitor electrode (vol 3, pg 21390, 2013)}, journal = {RSC Advances}, volume = {4}, number = {78}, year = {2014}, month = {SEP}, pages = {41483}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2046-2069}, doi = {10.1039/c4ra90002b}, author = {Deshmukh, Ashvini B. and Shelke, Manjusha V.} } @article { ISI:000330048400019, title = {Synthesis and electrochemistry of pseudocapacitive multilayer fullerenes and MnO2 nanocomposites}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {7}, year = {2014}, month = {NOV}, pages = {2152-2159}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Electrode materials with efficient capabilities for ionic and electronic transport are key to high performance supercapacitors. Here, we demonstrate a simple and comparatively low temperature synthesis of functionalized multilayer fullerenes so called carbon nano-onions (CNOs) as the electrode for high performance electrochemical supercapacitors. The exohedral type supercapacitor formed due to nonporous CNOs showed higher specific capacitance than conventional graphitic/mesoporous/activated carbons. Surface redox functionalities of these CNOs add up to significant pseudocapacitance. Further in situ incorporation of MnO2 nanoparticles to these CNOs increased the specific capacitance up to 1207 F g(-1), which is close to the theoretical value of pseudocapacitive MnO2.
}, issn = {2050-7488}, doi = {10.1039/c3ta14076h}, author = {Azhagan, Muniraj Vedi Kuyil and Vaishampayan, Mukta V. and Shelke, Manjusha V.} } @article { ISI:000343072300047, title = {Synthesis and electrochemistry of pseudocapacitive multilayer fullerenes and MnO2 nanocomposites (vol 2, pg 2152, 2014)}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {40}, year = {2014}, month = {OCT}, pages = {17186}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2050-7488}, doi = {10.1039/c4ta90149e}, author = {Azhagan, Muniraj Vedi Kuyil and Vaishampayan, Mukta V. and Shelke, Manjusha V.} } @article { ISI:000332351800006, title = {Synthesis and in situ observation of 3D super lattices of gold nanoparticles using oil-in-water emulsion}, journal = {Journal of Colloid and Interface Science}, volume = {420}, year = {2014}, month = {APR}, pages = {41-49}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
In this work oil-in-water emulsion has been successfully used as a confined environment to grow 3D superlattices of gold nanoparticles. The superlattices were grown from 5 nm uniform gold nanoparticles using slow destabilization method. The confined environment was created by forming a stable emulsion where the gold colloid suspended in toluene was used as oil phase. Superlattices were also formed in bulk solution using the same slow destabilization method. A comparative study reveals that compact superlattices form more readily inside the emulsion drops as compared to bulk precipitation. The unstable colloid (in bulk or as emulsion) was aged for various periods at 5 degrees C to form more compact superlattices. The best superlattices with sharp corners are observed when the superlattices are formed inside the emulsion and aged for a month. Two key parameters, the incubation temperature and anti-solvent concentration, are optimized to obtain larger superlattices with sharp features. A new method is also demonstrated for in situ observation of superlattice formation using an optical microscope. 2014 Elsevier Inc. All rights reserved.
}, keywords = {3D nanocrystal superlattices, In situ observation of superlattice formation, Monodisperse gold nanoparticles, Nanocrystal superlattices}, issn = {0021-9797}, doi = {10.1016/j.jcis.2013.12.060}, author = {Dutta, Ankur and Chakraborty, Jayanta and Bhagavatula L. V. Prasad and Sahu, Puspanjali} } @article { ISI:000338820600009, title = {Synthesis and luminescence of graphene-nano calcium sulphide composite}, journal = {Materials Chemistry and Physics}, volume = {147}, number = {1-2}, year = {2014}, month = {SEP}, pages = {57-64}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Graphene-nanocrystalline calcium sulphide has been synthesized using in-situ reduction of calcium salt and graphene oxide. Graphene oxide was prepared using Hummer{\textquoteright}s method. Surface morphology and crystal structure of samples were observed by transmission electron microscopy (TEM) and X-Ray diffraction (XRD). Ultra thin graphene and graphene oxide sheets with size ranging between tens to several hundreds of square nanometers are observed in TEM images. The TEM micrographs of G-CaS show that CaS particles are embedded in graphene sheets and the average particle size of CaS particles in the composite is less than 50 nm. The reduction in the intensity of various functional groups in FTIR spectrum also confirms the formation of graphene. The UV-Visible spectra of CaS shows absorption peak at 220 nm with a small shoulder at 250 nm whereas in G-CaS 220 nm absorption peak has reduced intensity and the shoulder at 250 nm has now shifted to 270 nm due to modification in the defect structure of CaS by graphene. CaS and G-CaS shows photoluminescence emission at 470 nm (lambda(exc.) = 375 nm) and 440 nm (lambda(exc.) = 350 nm) respectively, however emission intensity of G-CaS is relatively lower than CaS. Although the emission intensity is found to be lower than CaS, addition of CaS to graphene in G-CaS complex has made graphene luminescent. XPS spectra also indicate reduction of various oxygen containing functional groups in highly reduced graphene oxide and G-CaS. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Luminescence, Nanostructures, powder diffraction, Precipitation}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2014.04.006}, author = {Sharma, Geeta and Patil, K. R. and Gosavi, S. W.} } @article { ISI:000331904500008, title = {Synthesis and reactivity of magnetically diverse Au@ Ni core-shell nanostructures}, journal = {Particle \& Particle Systems Characterization}, volume = {31}, number = {2}, year = {2014}, month = {FEB}, pages = {236-244}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Core-shell bimetallic Au@Ni nanoparticles, with gold cores and thin nickel shells with overall size less than 10 nm, are synthesized and stabilized in pure cubic (fcc) and hexagonal (hcp) phase. Due to their unique crystal, electronic, and geometric structure, they show interesting magnetic and chemical properties. The Au@Ni-fcc is magnetic, whereas Au@Ni-hcp is non-magnetic. Both the bimetallic nanostructures are stable to surface oxidation until 150 degrees C and show excellent catalytic activity for p-nitrophenol reduction reaction.
}, keywords = {Au-Ni nanoparticles, bimetallic nanostructures, magnetic core-shell nanoparticles, oxidation resistance}, issn = {0934-0866}, doi = {10.1002/ppsc.201300195}, author = {Bharathan, Vysakh A. and Raj, Govind K. and Joy, Pattayil Alias and Vinod, Chathakudath P.} } @article { ISI:000340149800003, title = {Synthesis, characterization, and crystal structure determination of palladacycles of para-substituted 2-thiobenzylazobenzenes}, journal = {Journal of Coordination Chemistry}, volume = {67}, number = {10}, year = {2014}, month = {JUN}, pages = {1702-1714}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Bichelated neutral palladacycles (1-3), [Pd(L)Cl], were synthesized from reaction of the new potential tridentate (C,N,S) ligands, 2-thiobenzylazobenzene (L-1), 4{\textquoteright}-methyl-2-thiobenzylazobenzene (L-2), and 4{\textquoteright}-chloro-2-thiobenzylazobenzene (L-3) with sodium tetrachloropalladate(II), Na-2[PdCl4], in ethanol. The compounds were characterized by elemental analysis, FT-IR, H-1 NMR, UV-visible, and thermogravimetric analysis. The crystal structures of L-2 and 1-3 were determined by single-crystal X-ray diffraction. In 1-3, the geometry around palladium remains almost square planar, coordinated to carbon, nitrogen, and sulfur of the ligand forming a bichelated cyclopalladate complex. The C-H center dot center dot center dot Cl type intermolecular hydrogen bonds, weak pi center dot center dot center dot pi, C-H center dot center dot center dot pi, and van der Waals interactions are believed to be the stabilizing forces for the crystal packing of these palladacycles.
}, keywords = {2-Thiobenzylazobenzene, CNS-donor ligand, crystal structure, Palladacycles, Thermogravimetric analysis}, issn = {0095-8972}, doi = {10.1080/00958972.2014.922683}, author = {Bhattacharjee, Tirtha and Kalita, Mukul and Chakravarty, Debamitra K. and Barman, Pranjit and Puranik, Vedavati G.} } @article { ISI:000343671700036, title = {Synthesis, characterization and in vitro study of biocompatible cinnamaldehyde functionalized magnetite nanoparticles (CPGF Nps) for hyperthermia and drug delivery applications in breast cancer}, journal = {Plos One}, volume = {9}, number = {9}, year = {2014}, month = {SEP}, pages = {e107315}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Cinnamaldehyde, the bioactive component of the spice cinnamon, and its derivatives have been shown to possess anticancer activity against various cancer cell lines. However, its hydrophobic nature invites attention for efficient drug delivery systems that would enhance the bioavailability of cinnamaldehyde without affecting its bioactivity. Here, we report the synthesis of stable aqueous suspension of cinnamaldehyde tagged Fe3O4 nanoparticles capped with glycine and pluronic polymer (CPGF NPs) for their potential application in drug delivery and hyperthermia in breast cancer. The monodispersed superparamagnetic NPs had an average particulate size of similar to 20 nm. TGA data revealed the drug payload of similar to 18\%. Compared to the free cinnamaldehyde, CPGF NPs reduced the viability of breast cancer cell lines, MCF7 and MDAMB231, at lower doses of cinnamaldehyde suggesting its increased bioavailability and in turn its therapeutic efficacy in the cells. Interestingly, the NPs were non-toxic to the non-cancerous HEK293 and MCF10A cell lines compared to the free cinnamaldehyde. The novelty of CPGF nanoparticulate system was that it could induce cytotoxicity in both ER/PRpositive/Her2 negative (MCF7) and ER/PRnegative/Her2 negative (MDAMB231) breast cancer cells, the latter being insensitive to most of the chemotherapeutic drugs. The NPs decreased the growth of the breast cancer cells in a dose-dependent manner and altered their migration through reduction in MMP-2 expression. CPGF NPs also decreased the expression of VEGF, an important oncomarker of tumor angiogenesis. They induced apoptosis in breast cancer cells through loss of mitochondrial membrane potential and activation of caspase-3. Interestingly, upon exposure to the radiofrequency waves, the NPs heated up to 41.6 degrees C within 1 min, suggesting their promise as a magnetic hyperthermia agent. All these findings indicate that CPGF NPs prove to be potential nano-chemotherapeutic agents in breast cancer.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0107315}, author = {Wani, Kirtee D. and Kadu, Brijesh S. and Mansara, Prakash and Gupta, Preeti and Deore, Avinash V. and Chikate, Rajeev C. and Poddar, Pankaj and Dhole, Sanjay D. and Kaul-Ghanekar, Ruchika} } @article { ISI:000330147900013, title = {Synthesis, characterization and molecular structures of homologated analogs of 2-bromo-3-(n-alkylamino)-1,4-napthoquinone}, journal = {Journal of Molecular Structure}, volume = {1056}, year = {2014}, month = {JAN}, pages = {97-103}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Four analogues of 2-bromo-3-(n-alkylamino)-1,4-napthoquinone (where n-alkyl is methyl in L-1Br, ethyl in L-2Br, propyl in L-3Br and butyl in L-4Br) are synthesized and characterized. A reaction mechanism is proposed for the formation of L-1 Br to L-4Br from the starting material 2,3-dibromo-1,4-naphthoquinone. The v(N-H) frequency in the FT-IR spectra is affected by the intramolecular hydrogen bonding in L-1Br to L-4Br and is observed similar to 3267 cm(-1) in L-2Br. A shift of similar to 25 cm(-1) is observed in the v(C-Br) frequency in all the compounds as compared to 2,3-dibromo-1,4-naphthoquinone (627 cm(-1)). A broad charge transfer band is observed between 400 and 600 nm in the UV-Vis spectra, which imparts red colour to all the compounds. Molecular structures of L-2Br and L-3Br were studied by single crystal X-ray diffraction studies. Molecules of L-2Br crystallize in Pca2(1), whereas the molecule L-3Br crystallizes in the P-1 space group. Molecules of L-2Br forms a polymeric chain through N-H...O interaction and forms beautiful butterfly like arrangement of molecules when viewed down the {\textquoteleft}a{\textquoteright} axis. Ladder like polymeric chain of molecules is observed in L-3Br via C-H...O and N-H...O interactions. Every alternating neighbouring chains of L-3Br, show pi-pi stacking interactions between the quinonoid rings of the molecules, however this interaction is not observed in L-2Br. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {2, 3-Dibromo-1, 4-naphthoquinone, Aminonaphthoquinone, hydrogen bonding, Michael addition, pi-pi stacking}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2013.10.016}, author = {Salunke-Gawali, Sunita and Pawar, Omkar and Nikalje, Milind and Patil, Rishikesh and Weyhermueller, Thomas and Puranik, Vedavati G. and Konkimalla, V. Badireenath} } @article { ISI:000338348000023, title = {Synthesis, characterization and photocatalytic behavior of TiO2-SiO2 mesoporous composites in hydrogen generation from water splitting}, journal = {Journal of Materials Science}, volume = {49}, number = {18}, year = {2014}, month = {SEP}, pages = {6383-6391}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
TiO2-SiO2 mesoporous composite photocatalysts with different proportions (in wt\%) of TiO2 and SiO2 (TiO2-SiO2 = 20:80, 40:60, 60:40, 80:20 and 100:0) were prepared by loading TiO2 on as-synthesized Si-MCM-41 using sol-gel method. The physicochemical properties of composites were investigated by powder X-ray diffraction, N-2 adsorption-desorption measurements, transmission electron microscopy and UV-Vis diffuse reflectance spectroscopy. It is revealed that the titanium species are dispersed as TiO2 having interaction with the surface of the support. Even at high TiO2 loading, the mesostructural feature of MCM-41 was found to be intact without pore blockages. The change in morphology of TiO2 particle was observed with increase in TiO2 loading which may be due to different environment for the growth of TiO2. The photocatalytic evaluation of composites was carried out in production of hydrogen by water splitting. Among the prepared samples, mesoporous composite containing 60 \% TiO2 (MTi60) has shown the best results (0.08805 mmol of H-2/h/g of TiO2) compared to other composite photocatalysts. The catalytic performance of this sample was further enhanced (similar to 8 times) after loading 1 \% Pt in water splitting (0.70161 mmol of H-2/h/g of TiO2). 1 \% Pt loaded on pure TiO2 (MTi100) showed hydrogen evolution of the magnitude 0.26 mmol of H-2/h/g of TiO2. TiO2-SiO2 mesoporous composite photocatalyst showed much higher activity (similar to 1.9 times) than amorphous silica-embedded titania catalyst having same composition.
}, issn = {0022-2461}, doi = {10.1007/s10853-014-8365-2}, author = {Niphadkar, P. S. and Chitale, S. K. and Sonar, S. K. and Deshpande, Suvarna S. and Joshi, P. N. and Awate, S. V.} } @article { ISI:000339378200013, title = {Synthesis of 2,5-furandicarboxylic acid by the aerobic oxidation of 5-hydroxymethyl furfural over supported metal catalysts}, journal = {Reaction Kinetics Mechanisms and Catalysis}, volume = {112}, number = {1}, year = {2014}, month = {JUN}, pages = {173-187}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Supported Pt catalysts are synthesized, characterized and are used in the liquid phase air oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA). Under the optimum reaction conditions of a stepwise increase in the reaction temperature (75 and 140 degrees C for 12 h each), we achieved as high as 96 \% FDCA yield in presence of 1 bar oxygen pressure over Pt/c-Al2O3. It is shown that as the oxygen pressure increases (1-10 bar), the FDCA yields decrease, since at higher partial pressure of oxygen, overoxidation reactions of substrate and product(s) are possible. It is interesting to note that even with air as an oxidant, we obtained similar yields of FDCA as that with oxygen. Moreover, the effects of base (weak or strong), its concentration (equimolar or excess) were studied in detail. It is important to increase the reaction temperature in a stepwise manner to achieve higher yields of FDCA since at higher temperatures HMF undergoes self-degradation and thus the yields of FDCA decrease. The self-degradation of HMF is also proved by undertaking the reaction under nitrogen environment. The study on the effect of substrate-to-catalyst ratio is done to improve up on the economics of overall process. The effect of supports (reducible and non-reducible) and their oxygen storage capacity is discussed and is proposed to be one of the factors to change the course of reaction. Furthermore, we have shown that FDCA formed in the reaction can be successfully isolated (91 \%, isolated yield) in the pure form and its purity is confirmed by NMR, melting point, and elemental analysis. The catalysts were characterized with X-ray powder diffraction, transmission electron microscopy and inductively coupled plasma-optical emission spectroscopy techniques.
}, keywords = {Biomass, FDCA, green chemistry, heterogeneous catalyst, HMF, Impregnation, Oxidation}, issn = {1878-5190}, doi = {10.1007/s11144-014-0689-z}, author = {Sahu, Ramakanta and Dhepe, Paresh Laxmikant} } @article { ISI:000344525500041, title = {Synthesis of a recyclable and efficient Pd(II) 4-(2-pyridyl)-1,2,3-triazole complex over a solid periodic mesoporous organosilica support by {\textquoteleft}{\textquoteleft}click reactions{\textquoteright}{\textquoteright} for the stille coupling reaction}, journal = {RSC Advances}, volume = {4}, number = {81}, year = {2014}, month = {AUG}, pages = {43070-43079}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A highly efficient, reusable B-PMO-TZ-Pd(II) catalyst was synthesized by anchoring 4-(2-pyridyl)-4-(2-pyridyl)-1,2,3-triazole ligand over the surface of an organo-functionalized benzene support containing periodic mesoporous organosilica (B-PMO) via {\textquoteleft}{\textquoteleft}click reaction{\textquoteright}{\textquoteright} and the subsequent complexation with PdCl2. B-PMO materials with uniform hexagonal arrangements were prepared using C-16 alkyl trimethyl ammonium bromide [CTAB] surfactant under basic conditions. The physiochemical properties of the functionalised catalyst were analysed by elemental analysis, ICP-OES, XRD, N-2 sorption, TGA \& DTA, solid state C-13, Si-29 NMR spectra, FT-IR, XPS, UV-vis, SEM and TEM. XRD and N-2 sorption revealed the morphological and textural properties of the synthesized catalyst, confirming that ordered mesoporous channel structure was retained even after the multistep synthetic procedure. The (100), (110) and (200) reflections in B-PMO are evidence of its good structural stability and the existence of long range order. The TGA-DTA results reveal that the synthesized catalyst B-PMO-TZ-Pd(II) was thermally stable, even at high temperature. The organic moieties anchored over the surface of B-PMO were demonstrated by solid state C-13 NMR and FT-IR spectroscopy. Solid state Si-29 NMR spectroscopy provides information about the degree of functionalization of the surface silanol group. The electronic environment and oxidation state of Pd in B-PMO-TZ-Pd(II) were monitored by XPS and UV-visible techniques. Moreover, the morphologies and topographic information of the synthesized B-PMO-TZ-Pd(II) catalyst were confirmed by SEM and TEM analyses. The catalytic properties of the catalyst for the Stille coupling reaction were screened, and higher catalytic activities with high TONs were observed. The anchored solid B-PMO-TZ-Pd(II) catalyst can be recycled efficiently and reused several (four) times without a major loss in reactivity.
}, issn = {2046-2069}, doi = {10.1039/c4ra06459c}, author = {Sharma, Priti and Singh, A. P.} } @article { ISI:000340525300012, title = {Synthesis of alpha,beta-unsaturated delta-lactones by vinyl acetate mediated asymmetric cross-aldol reaction of acetaldehyde: mechanistic insights}, journal = {European Journal of Organic Chemistry}, number = {24}, year = {2014}, month = {AUG}, pages = {5247-5255}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A tandem asymmetric cross-aldol reaction involving the in situ generation of acetaldehyde from vinyl acetate has been developed that may resolve the challenges associated with the handling of acetaldehyde. The simple protocol, mild reaction conditions and unique harmony of an organocatalyst with a biocatalyst make this method a valuable tool for the synthesis of asymmetric beta-hydroxy aldehydes. By using this methodology we have accessed alpha,beta-unstaurated delta-lactones as well as isochromenones with high enantioselectivities from both asymmetric beta-hydroxy aldehydes and ketones. Systemic density functional theory (DFT) studies were also performed to gain mechanistic insights into the role of hydrogen bonding in the asymmetric cross-aldol reaction of acetaldehyde and in the key cis/trans isomerisation step in the synthesis of d-lactones.
}, keywords = {Aldol reactions, asymmetric catalysis, lactones, reaction mechanisms}, issn = {1434-193X}, doi = {10.1002/ejoc.201402551}, author = {Kumar, Manjeet and Kumar, Arvind and Rizvi, Masood and Mane, Manoj and Vanka, Kumar and Taneja, Subhash C. and Shah, Bhahwal Ali} } @article { ISI:000330779900044, title = {Synthesis of an efficient heteroatom-doped carbon electro-catalyst for oxygen reduction reaction by pyrolysis of protein-rich pulse flour cooked with SiO2 nanoparticles}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {9}, year = {2014}, month = {JAN}, pages = {4251-4259}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Development of a highly durable, fuel-tolerant, metal-free electro-catalyst for oxygen reduction reaction (ORR) is essential for robust and cost-effective Anion Exchange Membrane Fuel Cells (AEMFCs). Herein, we report the development of a nitrogen-doped (N-doped) hierarchically porous carbon-based efficient ORR electrocatalyst from protein-rich pulses. The process involves 3D silica nanoparticle templating of the pulse flour(s) followed by their double pyrolysis. The detailed experiments are performed on gram flour (derived from chickpeas) without any in situ/ex situ addition of dopants. The N-doped porous carbon thus generated shows remarkable electrocatalytic activity towards ORR in the alkaline medium. The oxygen reduction on this material follows the desired 4-electron transfer mechanism involving the direct reduction pathway. Additionally, the synthesized carbon catalyst also exhibits good electrochemical stability and fuel tolerance. The results are also obtained and compared with the case of soybean flour having higher nitrogen content to highlight the significance of different parameters in the ORR catalyst performance.
}, issn = {1463-9076}, doi = {10.1039/c3cp55396e}, author = {Gokhale, Rohan and Unni, SreeKuttan M. and Puthusseri, Dhanya and Kurungot, Sreekumar and Ogale, Satishchandra} } @article { ISI:000341070100010, title = {Synthesis of chenopanone}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {53}, number = {8}, year = {2014}, month = {AUG}, pages = {1140-1142}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
Starting from glyoxalic acid, a facile three step approach to chenopanone has been described utilizing the Barbier reaction as a key step.
}, keywords = {acid hydrolysis, Barbier reaction, chenopanone, condensation, Glyoxalic acid, isovaleraldehyde, synthesis}, issn = {0376-4699}, author = {Deore, Prashant S. and N. P. Argade} } @article { ISI:000333686000001, title = {Synthesis of ciprofloxacin-conjugated poly(L-lactic acid) polymer for nanofiber fabrication and antibacterial evaluation}, journal = {International Journal of Nanomedicine}, volume = {9}, year = {2014}, month = {MAR}, pages = {1463-1477}, publisher = {DOVE MEDICAL PRESS LTD}, address = {PO BOX 300-008, ALBANY, AUCKLAND 0752, NEW ZEALAND}, abstract = {
Ciprofloxacin was conjugated with polylactide (PLA) via the secondary amine group of the piperazine ring using PLA and 7-(4-(2-Chloroacetyl) piperazin-1-yl)-1-cyclopropyl-6-fluoro-1, 4-dihydro-4-oxoquinoline-3-carboxylic acid. Zinc prolinate, a biocompatible catalyst was synthesized, characterized, and used in ring opening polymerization of L-lactide. Five different kinds of OH-terminated poly(L-lactide) (two-, three-, four-, six-arm, star-shaped) homopolymers were synthesized by ring opening polymerization of L-lactide in the presence of dodecanol, glycerol, pentaerythritol, dipentaerythritol as initiator and zinc prolinate as a catalyst. The structures of the polymers and conjugates were thoroughly characterized by means of gel permeation chromatography, matrix-assisted laser desorption/ionization-time of flight mass spectrometry, and nuclear magnetic resonance spectroscopy. PLA (molecular weight = 100,000) and ciprofloxacin conjugated PLA were used for fabrication of nonwoven nanofiber mat (diameter ranges; 150-400 nm) having pore size (62-102 nm) using electrospinning. The microbiological assessment shows that the release of ciprofloxacin possesses antimicrobial activity. The drug-release behavior of the mat was studied to reveal potential application as a drug delivery system. The result shows that the ciprofloxacin release rates of the PLA conjugate nonwoven nanofiber mat could be controlled by the drug loading content and the release medium. The development of a biodegradable ciprofloxacin system, based on nonwoven nanofiber mat, should be of great interest in drug delivery systems.
}, keywords = {antibacterial activity, ciprofloxacin conjugated polylactides, CP-PLA, drug release, electrospinning, MDR, nonwoven nanofibers, zinc prolinate}, issn = {1178-2013}, doi = {10.2147/IJN.S54971}, author = {Parwe, Sharad P. and Chaudhari, Priti N. and Mohite, Kavita K. and Selukar, Balaji S. and Nande, Smita S. and Garnaik, Baijayantimala} } @article { ISI:000340579200011, title = {Synthesis of fatty monoester lubricant base oil catalyzed by Fe-Zn double-metal cyanide complex}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {4}, year = {2014}, month = {JUL}, pages = {997-1003}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Fatty monoester lubricant base oils as high as 96.7 mol\% were prepared by reacting methyl oleate with long-chain alcohols viz., 2-ethyl-1-hexanol (C-8-OH), 1-decanol (C10OH) and 1-dodecanol (C12OH) in the presence of a solid Fe-Zn double-metal cyanide (DMC) complex catalyst. Unlike many other acid catalysts, DMC doesn{\textquoteright}t produce undesired ether side products. The catalyst was reusable in four recycling experiments with little loss in catalytic activity and ester yield. The long-chain esters prepared in the study have the desired physical properties for their application as lubricant base oils.
}, keywords = {Fatty monoester, Fe-Zn double-metal cyanide (DMC) catalyst, lubricant base oil, transesterification}, issn = {0974-3626}, author = {Raut, Ravindra K. and Shaikh, Mehejabeen and Darbha, Srinivas} } @article {42442, title = {Synthesis of functionalized coumarins and quinolinones by NHC-catalyzed annulation of modified enals with heterocyclic C-H acids}, journal = {Journal of Organic Chemistry}, volume = {79}, year = {2014}, month = {APR}, pages = {4245{\textendash}4251}, abstract = {
N-Heterocyclic carbene (NHC) catalyzed lactonization and lactamization of 2-bromoenals with heterocyclic C{\textendash}H acids proceeding via the α,β-unsaturated acyl azolium intermediates is reported. The reaction furnished coumarin- or quinolinone-fused lactone/lactam derivatives. In addition, results of the enantioselective version of this reaction using chiral NHC are presented.
}, doi = {10.1021/jo500693h}, author = {Yetra, Santhivardhana Reddy and Roy, Tony and Bhunia, Anup and Porwal, Digvijay and Biju, Akkattu T.} } @article { ISI:000344379900113, title = {Synthesis of green nano iron particles (GnIP) and their application in adsorptive removal of As(III) and As(V) from aqueous solution}, journal = {Applied Surface Science}, volume = {317}, year = {2014}, month = {OCT}, pages = {1052-1059}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
{The present study reports a new approach to synthesise nano iron particles using leaf extract of Mint (Mentha spicata L.) plant. The synthesised GnIPs were subjected to detailed adsorption studies for removal of arsenite and arsenate from aqueous solution of defined concentration. Iron nanoparticles synthesised using leaf extract showed UV-vis absorption peaks at 360 and 430 nm. TEM result showed the formation of polydispersed nanoparticles of size ranging from 20 to 45 nm. Nanoparticles were found to have core-shell structure. The planer reflection of selected area electron diffraction (SAED) and XRD analysis suggested that iron particles were crystalline and belonged to fcc (face centred cubic) type. Energy-dispersive X-ray analysis (EDAX) shows that Fe was an integral component of synthesised nanoparticles. The content of Fe in nanoparticles was found to be 40\%, in addition to other elements like C (16\%), 0 (19\%) and Cl (23\%). FT-IR study suggested that functional groups like NH
}, keywords = {Adsorption, Arsenate, Arsenite, Iron nanoparticles, kinetics, M. spicata L.}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2014.09.042}, author = {Prasad, Kumar Suranjit and Gandhi, Pooja and Selvaraj, Kaliaperumal} } @article { ISI:000342568800011, title = {Synthesis of (+)-harmicine}, journal = {Synthesis-Stuttgart}, volume = {46}, number = {19}, year = {2014}, month = {OCT}, pages = {2591-2594}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A facile convergent access to the important indole alkaloid (+)-harmicine is described, starting from tryptamine and (R)-acetoxysuccinic anhydride via the corresponding acetoxysuccinimide in very good overall yield. Regioselective reduction of an unsymmetrical imide carbonyl group and acid-catalyzed stereoselective intramolecular cyclization were the key features involved. The directing group to induce asymmetry was finally detached via the corresponding iodide by using tributyltin hydride chemistry.
}, keywords = {alkaloids, cyclization, imides, reduction, stereoselective synthesis}, issn = {0039-7881}, doi = {10.1055/s-0034-1378381}, author = {Mondal, Pravat and N. P. Argade} } @article { ISI:000330816000048, title = {Synthesis of the central tricyclic core of the isatisine A: harmonious orchestration of [metal]-catalyzed reactions in a sequence}, journal = {Tetrahedron}, volume = {70}, number = {2}, year = {2014}, month = {JAN}, pages = {510-516}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Two sequential metal-catalyzed transformations, involving [In]-catalyzed Friedel Crafts type addition of spiroaminol carbon to indole C3 followed by [Rh]-catalyzed dehydrogenative cyclization of the resulting gamma-amino alcohol culminated in the construction of the central tricyclic core isatisine A. The overall strategy employed three easily available starting compounds and delivered the complex tricyclic core in four steps with all four steps being catalytic in nature. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Dehydrogenative cyclization, Friedel-Crafts reaction, Indium chloride, Isatisine A, Rhodium, Spiro-3-indolinone}, issn = {0040-4020}, doi = {10.1016/j.tet.2013.11.026}, author = {Patel, Pitambar and Reddy, B. Narendraprasad and Ramana, C. V.} } @article { ISI:000328005400055, title = {Synthesis, spectroscopic characterization and structural investigations of new adduct compound of carbazole with picric acid: DNA binding and antimicrobial studies}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {118}, year = {2014}, month = {JAN}, pages = {399-406}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Carbazole picrate (CP), a new organic compound has been synthesized, characterized by various analytical and spectroscopic technique such as FT-IR, UV-Vis, H-1 and C-13 NMR spectroscopy. An orthorhombic geometry was proposed based on single crystal XRD study. The thermal stability of the crystal was studied by using thermo-gravimetric and differential thermal analyses and found that it was stable up to 170 degrees C. Further, the newly synthesized title compound was tested for its in vitro antibacterial and antifungal activity against various bacterial and fungal species. Also, the compound was tested for its binding activity with Calf thymus (CT) DNA and the results show a considerable interaction between CP and CT-DNA. (C) 2013 Elsevier B.V. All rights reserved.
}, keywords = {Antimicrobial activity and DNA-interaction, CP adduct, Single crystal XRD, TG-DTA}, issn = {1386-1425}, doi = {10.1016/j.saa.2013.08.115}, author = {Saravanabhavan, Munusamy and Sathya, Krishnan and Puranik, Vedavati G. and Sekar, Marimuthu} } @article { ISI:000331483800028, title = {Synthesis, structure, spectral, electrochemical and sensing properties of 3-amino boron-dipyrromethene and its derivatives}, journal = {Dyes and Pigments}, volume = {102}, year = {2014}, month = {MAR}, pages = {218-227}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
We report the synthesis of 3-amino boron-dipyrromethene (3-amino BODIPY) by treating 3-bromo boron-dipyrromethene (3-bromo BODIPY) initially with sodium azide in acetonitrile followed by tri-phenylphosphine(PPh3)/H2O in tetrahydrofuran in three steps under mild reaction conditions. In this reaction, 3-azido BODIPY which formed in the first step was not isolated but the 3-iminophosphorane BODIPY which formed in the second step was isolated and characterized crystallographically. The 3-amino BODIPY was characterized by various spectroscopic and X-ray analytical techniques. To test the reactivity of amine functionality on BODIPY core, we prepared 1-(meso-anisyl BODIPY)-3-phenyl urea/thiourea derivatives under simple reaction conditions. Our studies indicated that 1-(meso-anisyl BODIPY)-3-pheny thiourea can act as specific chemodosimetric sensor for Hg2+ ion and 1-(meso-anisyl BODIPY)-3-phenyl urea as colorimetric and ratiometric sensor for F- ion. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {3-Amino boron dipyrromethene, Chemodosimeter, F sensor, Fluorescent probes, Iminophosphorane BODIPY, Mercury(II) sensor}, issn = {0143-7208}, doi = {10.1016/j.dyepig.2013.10.038}, author = {Ganapathi, Emandi and Madhu, Sheri and Chatterjee, Tamal and Gonnade, Rajesh G. and Ravikanth, Mangalampalli} } @article { ISI:000209665000005, title = {Synthetic precursor to vertical TiO2 nanowires}, journal = {Materials Research Express}, volume = {1}, number = {2}, year = {2014}, month = {JUN}, pages = {025005}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
An easy protocol for improvement in formation of the photoanode in a dye sensitized solar cell is addressed. Specifically, a novel synthesis for the formation of a TiO2 precursor: titanium butanediolate, is detailed. This precursor is found to have higher thermal and temporal stability than commercially available TiO2 precursors and it has successfully been employed in the one-pot synthesis of rutile nanowires grown directly on a conducting substrate: fluorine doped tin oxide (FTO). This synthesis has been further extended to directly form a mixed phase TiO2 film consisting of rutile nanowires along with anatase spherical particles on FTO and this assembly has been used as the photoanode in a dye-sensitized solar cell. The synergistic effect of the two phases has provided a net DSSC efficiency of 4.61\% with FF = 61\%.
}, keywords = {Nanomaterials, Nanowires, TiO2}, issn = {2053-1591}, doi = {10.1088/2053-1591/1/2/025005}, author = {Mishra, Biswajit and Ghildiyal, P. and Agarkar, Shruti A. and Khushalani, Deepa} } @article { ISI:000343985600001, title = {Synthetic turn mimetics and hairpin nucleators: quo vadimus?}, journal = {Chemical Communications}, volume = {50}, number = {90}, year = {2014}, month = {OCT}, pages = {13874-13884}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Structural mimicry of peptides has witnessed perceptible progress in the last three decades. Reverse turn and beta-hairpin units are the smallest secondary structural motifs that are some of the most scrutinized functional cores of peptides and proteins. The practice of mimicking, without altering the function of the bioactive core, ranges from conformational locking of the basic skeleton to total replacement of structural architecture using synthetic analogues. Development of heterogeneous backbones - using unnatural residues in place of natural ones - has broadened further opportunities for efficient structural rigidification. This feature article endeavours to trail the path of progress achieved hitherto and envisage the possibilities that lie ahead in the development of synthetic turn mimetics and hairpin nucleators.
}, issn = {1359-7345}, doi = {10.1039/c4cc03114h}, author = {Nair, Roshna V. and Baravkar, Sachin B. and Ingole, Tukaram S. and Sanjayan, Gangadhar J.} } @article { ISI:000333551200039, title = {Systematic evaluation of tetra-n-butyl ammonium bromide (TBAB) for carbon dioxide capture employing the clathrate process}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {12}, year = {2014}, month = {MAR}, pages = {4878-4887}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Hydrate based gas separation (HBGS) process for the precombustion capture of CO2 from a fuel gas mixture is a novel method being investigated among the carbon capture and sequestration techniques to reduce CO2 emissions. The efficiency of the HGBS process can be improved by using promoters that reduce the formation pressure of mixed gas hydrates. In this study the effect of tetra-n-butyl ammonium bromide (TBAB) was systematically investigated at a constant temperature of 279.2 K and pressure of 6.0 MPa for different TBAB concentrations of 0.3, 1.0, 1.5, 2.0, and 3.0 mol \%, respectively. The 0.3 mol \% solutions had a relatively longer average induction time of 20.1 min but exhibited the highest total normalized gas uptake of 0.0104 (+/- 0.0004) mol of gas/mol of water and highest separation factor of 41.51 (+/- 6.391). On the other hand, the 1.0 mol \% solution had very short average induction time (\<0.5 min) and it had the highest hydrate growth rate of 60.8 (+/- 9.89) mol of gas. min(-1).m(-3), with the separation factor of 13.78 (+/- 3.30). Gas solubility measurements and microscopic images of the hydrate formation were also presented to provide greater insights into the effect of TBAB concentration on the gas uptake.
}, issn = {0888-5885}, doi = {10.1021/ie4043714}, author = {Babu, Ponnivalavan and Chin, Weng Inn and Kumar, Rajnish and Linga, Praveen} } @article {45973, title = {Tailoring the product dstribution with batch and continuous process options in catalytic hydrogenation of furfural}, journal = {Organic Process Research \& Development}, volume = {18}, year = {2014}, month = {NOV}, pages = {1434-1442}, type = {Artical}, abstract = {
Various noble metal catalysts were screened in a batch operation for a furfural (FFR) single-step decarbonylation and hydrogenation reaction to obtain THF in high selectivity. Among these, the 3\% Pd/C showed complete FFR conversion with a total of 80\% selectivity to ring hydrogenated products including tetrahydrofuran (THF). The order of activity exhibited by other noble metals was Pt/C \> Re/C \> Ru/C. Although Pt/C exhibited the highest activity, its decarbonylation and ring hydrogenation ability were the least (24\%) with a major product selectivity of 66\% to furfuryl alcohol (FAL). Similarly, the Cu catalyst gave almost complete selectivity to FAL. In a continuous operation (23 g catalyst bed), the 3\% Pd/C catalyst showed higher selectivity of \>40\% compared to THF alone with complete FFR conversion and on-stream activity of similar to 100 h. The reaction pathway elucidated from some control experiments revealed that the decarbonylation of FFR to furan over the Pd/C catalyst is a prerequisite for THF formation.
}, issn = {1083-6160}, doi = {10.1021/op500196x}, author = {Biradar, Narayan S. and Hengne, Amol A. and Birajdar, Shobha N. and Swami, Rameshwar and Rode, Chandrashekhar V.} } @article {42438, title = {Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes}, journal = {Organic Letters}, volume = {16}, year = {2014}, month = {JUN}, pages = {3576{\textendash}3579}, abstract = {
The reaction of arynes with indene/benzofurans has been developed. The arynes were generated from 2-(trimethylsilyl)aryl triflates by the fluoride-induced 1,2-elimination react with indene or various benzofurans proceeding via a cascade reaction involving the Diels{\textendash}Alder reaction and a [2 + 2] cycloaddition reaction. The tandem process afforded functionalized dihydrobenzocyclobutaphenanthrenes in moderate to good yields. Moreover, the method has been utilized for the one-pot synthesis of benzo[b]fluoranthene.
}, doi = {10.1021/ol501579d}, author = {Bhojgude, Sachin Suresh and Thangaraj, Manikandan and Suresh, Eringathodi and Biju, Akkattu T.} } @article {46375, title = {Tandem catalysis by in-situ generated microporous COF-Pd nanoparticle hybrids}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C1034}, type = {Meeting Abstract}, keywords = {covalent organic frameworks, Pd nanoparticles, tandem catalysis}, issn = {2053-2733}, author = {Bhadra, Mohitosh and Banerjee, Rahul} } @article { ISI:000330201900057, title = {Temperature Dependent Phonon Shifts in Single-Layer WS2}, journal = {Acs Applied Materials \& Interfaces}, volume = {6}, number = {2}, year = {2014}, month = {JAN}, pages = {1158-1163}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Atomically thin two-dimensional tungsten disulfide (WS2) sheets have attracted much attention due to their potential for future nanoelectronic device applications. We report first experimental investigation on temperature dependent Raman spectra of single-layer WS2 prepared using micromechanical exfoliation. Our temperature dependent Raman spectroscopy results shows that the E-2g(1) and A(1g) modes of single-layer WS2 soften as temperature increases from 77 to 623 K. The calculated temperature coefficients of the frequencies of 2LA(M), E-2g(1), A(1g), and A(1g)(M) + LA(M) modes of single-layer WS2 were observed to be -0.008, -0.006, -0.006, and -0.01 cm(-1) K-1, respectively. The results were explained in terms of a double resonance process which is active in atomically thin nanosheet. This process can also be largely applicable in other emerging single-layer materials.
}, keywords = {layered materials, phonon vibrations, Raman spectroscopy, thermal effect, WS2}, issn = {1944-8244}, doi = {10.1021/am404847d}, author = {Thripuranthaka, M. and Late, Dattatray J.} } @article { ISI:000332619100046, title = {Temperature dependent Raman spectroscopy of chemically derived few layer MoS2 and WS2 nanosheets}, journal = {Applied Physics Letters}, volume = {104}, number = {8}, year = {2014}, month = {FEB}, pages = {081911}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {We have systematically investigated the temperature dependent Raman spectroscopy behavior of a few layered MoS2 and WS2 nanosheets synthesized using simple hydrothermal method. Our result reveals A(1g) and E-2g(1) modes soften as temperature increases from 77 K to 623 K. This behavior can be explained in terms of a double resonance process which is active in single-and few layer thick nanosheets. The frequency shifts and peak broadening can provide unambiguous, nondestructive, and accurate information of a few layered MoS2 and WS2. This mechanism can also be applicable in characterizing the structural, optical, electronic, and vibrational properties of other emerging layered materials. (c) 2014 AIP Publishing LLC.}, issn = {0003-6951}, doi = {10.1063/1.4866782}, author = {Thripuranthaka, M. and Kashid, Ranjit V. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000334078500086, title = {Temperature dependent Raman spectroscopy of chemically derived few layer MoS2 and WS2 nanosheets (vol 104, 081911, 2014)}, journal = {Applied Physics Letters}, volume = {104}, number = {12}, year = {2014}, month = {MAR}, pages = {129901}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, issn = {0003-6951}, doi = {10.1063/1.4869463}, author = {Thripuranthaka, M. and Kashid, Ranjit V. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000340809600062, title = {Template-free fabrication of highly-oriented single-crystalline 1D-rutile TiO2-MWCNT composite for enhanced photoelectrochemical activity}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {33}, year = {2014}, month = {AUG}, pages = {19363-19373}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Template-free synthesis of phase pure one-dimensional (1D), single crystalline rutile titania nanorods or wires at low temperature still remains a challenging task due to its complex nature of surface chemistry. In these ID structures, charge transport is highly favored. To further modify the electrical conductivity and optoelectronic properties of these 1D nanostructures, various methods such as doping of TiO2 with metal and nonmetal and synthesis of branched and hybrid structures are developed. If these hybrid structures can directly synthesize on the substrate, the transport of the electron will improve due to reduced grain boundary and exciton recombination. In this contribution, for the first time, we have simultaneously synthesized 1D-rutile TiO2-multiwalled carbon nanotube (MWCNT) composite film directly grown on fluorine dope conducting oxide (FTO) substrate along with 1D-rutile TiO2-MWCNT composite powder. The as-grown nanorods films were single-crystalline and oriented vertically with respect to the substrate, having an average height of similar to 2 mu m. The well connected network of TiO2 with MWCNTs was observed through electron microscopy. The composite film shows positive movement of the flat-band edge and increase in charge carrier density. The TiO2-MWCNT composite was successfully used as photoanode in a dye sensitized solar cell (DSSC) and exhibits a 60\% increase in energy-conversion efficiency compared with only TiO2 nanorods.
}, issn = {1932-7447}, doi = {10.1021/jp5023983}, author = {Sadhu, Subha and Poddar, Pankaj} } @article { ISI:000337521700009, title = {Thermal expansion, anharmonicity and temperature-dependent Raman spectra of single- and few-layer MoSe2 and WSe2}, journal = {ChemPhysChem}, volume = {15}, number = {8}, year = {2014}, month = {JUN}, pages = {1592-1598}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
We report the temperature-dependent Raman spectra of single-and few-layer MoSe2 and WSe2 in the range 77-700 K. We observed linear variation in the peak positions and widths of the bands arising from contributions of anharmonicity and thermal expansion. After characterization using atomic force microscopy and high-resolution transmission electron microscopy, the temperature coefficients of the Raman modes were determined. Interestingly, the temperature coefficient of the A(2u)(2) mode is larger than that of the A(1g) mode, the latter being much smaller than the corresponding temperature coefficients of the same mode in single-layer MoS2 and of the G band of graphene. The temperature coefficients of the two modes in single-layer MoSe2 are larger than those of the same modes in single-layer WSe2. We have estimated thermal expansion coefficients and temperature dependence of the vibrational frequencies of MoS2 and MoSe2 within a quasi-harmonic approximation, with inputs from first-principles calculations based on density functional theory. We show that the contrasting temperature dependence of the Raman-active mode A(1g) in MoS2 and MoSe2 arises essentially from the difference in their strainphonon coupling.
}, issn = {1439-4235}, doi = {10.1002/cphc.201400020}, author = {Late, Dattatray J. and Shirodkar, Sharmila N. and Waghmare, Umesh V. and Dravid, Vinayak P. and Rao, C. N. R.} } @article { ISI:000343613800043, title = {Thermal stability of cellulose and their nanoparticles: Effect of incremental increases in carboxyl and aldehyde groups}, journal = {Carbohydrate Polymers}, volume = {114}, year = {2014}, month = {DEC}, pages = {339-343}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Oxidized cellulose containing carboxyl and aldehyde functional groups represent an important class of cellulose derivatives. In this study effect of incrementally increasing COOH and CHO groups at C2, C3, and C6 positions of cellulose and nanocellulose has been investigated, with a view to understanding their effect on thermal treatment of cellulose. The results show that 2,3-dialdehyde cellulose (DAC) is the most thermally stable oxidized product of cellulose while the most unstable derivatives contain carboxyl group at the C6 position (6CC). Carboxymethylcellulose (CMC), with carboxymethyl group on C6 position, is more stable than 6CC. Multi-functionalized celluloses 2,3,6-tricarboxycellulose and 6-carboxy-2,3-dialdehyde, have the same level of thermal stability as 6CC, showing that the presence of carboxyl at the C6 is a key destabilizing factor in the thermal stability of oxidized cellulose products. More the number of reducing end groups on the polymer chain, lower the thermal stability of the cellulose, as proved by comparing the TGA/DTG of monomeric analogs dextrose, cellobiose and glucuronic acid with the oxidized celluloses. The thermal stability trend observed for oxidized celluloses was DAC \> DCC \> nanoparticles \> dextrose \>glucuronic acid, caused by extent of reducing ends and COOH groups. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {2, 3, 3-Dialdehyde cellulose, 6-Carboxycellulose, 6-Tricarboxycellulose, cellulose, TGA/DTG}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.08.032}, author = {Sharma, Priyanka R. and Varma, Anjanikumar} } @article { ISI:000333776000055, title = {Thermodynamic and kinetic verification of tetra-n-butyl ammonium nitrate (TBANO(3)) as a promoter for the clathrate process applicable to precombustion carbon dioxide capture}, journal = {Environmental Science \& Technology}, volume = {48}, number = {6}, year = {2014}, month = {MAR}, pages = {3550-3558}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this study, tetra-n-butyl ammonium nitrate (TBANO(3)) is evaluated as a promoter for precombustion capture of CO2 via hydrate formation. New hydrate phase equilibrium data for fuel gas (CO2/H-2) mixture in presence of TBANO(3) of various concentrations of 0.5, 1.0, 2.0, 3.0, and 3.7 mol \% was determined and presented. Heat of hydrate dissociation was calculated using Clausius-Clapeyron equation and as the concentration of TBANO(3) increases, the heat of hydrate dissociation also increases. Kinetic performance of TBANO(3) as a promoter at different concentrations was evaluated at 6.0 MPa and 274.2 K. Based on induction time, gas uptake, separation factor, hydrate phase CO2 composition, and rate of hydrate growth, 1.0 mol \% TBANO(3) solution was found to be the optimum concentration at the experimental conditions of 6.0 MPa and 274.2 K for gas hydrate formation. A 93.0 mol \% CO2 rich stream can be produced with a gas uptake of 0.0132 mol of gas/mol of water after one stage of hydrate formation in the presence of 1.0 mol \% TBANO(3) solution. Solubility measurements and microscopic images of kinetic measurements provide further insights to understand the reason for 1.0 mol \% TBANO(3) to be the optimum concentration.
}, issn = {0013-936X}, doi = {10.1021/es4044819}, author = {Babu, Ponnivalavan and Yao, Minghuang and Datta, Stuti and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000334306500004, title = {Thermoneutral conditions in dry reforming of ethanol}, journal = {Asia-Pacific Journal of Chemical Engineering}, volume = {9}, number = {2}, year = {2014}, month = {MAR}, pages = {196-204}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
The reaction enthalpy (Delta H) of reforming processes like steam and dry (CO2) reforming is of great importance for scale-up and process development. Generally, the reforming processes are considered endothermic in nature. However, a detailed study of the reaction enthalpy of reforming process, taking the example of dry reforming of ethanol considered in this study, reveals the existence of exothermic reaction enthalpy at low temperatures. A study of reaction enthalpy of ethanol dry reforming within pressure (1-10 bar), temperature range (300-900 degrees C), and CO2 to carbon in ethanol ratio (CCER 1-5) was initiated to determine the existence of thermoneutral temperatures for the overall reaction. The variation of thermoneutral conditions and product yields at the thermoneutral temperatures was studied. The utilization potential of the products generated at thermoneutral conditions was also evaluated. The low-pressure thermoneutral operation favored higher hydrogen production, lower methane and water formation, whereas the high-pressure thermoneutral operation favored product gas of lower syngas ratio with higher CO2 conversion (utilization) in the process. The study can be extended to steam and dry reforming of other fuels to generate valuable products at thermoneutral conditions avoiding use of air in the process and subsequent N-2 dilution of the product gas. (c) 2013 Curtin University of Technology and John Wiley \& Sons, Ltd.
}, keywords = {carbon nanofilaments, CO2 utilization, Dry reforming, ethanol to syngas, thermoneutral process}, issn = {1932-2135}, doi = {10.1002/apj.1759}, author = {Kale, Ganesh R. and Kulkarni, Bhaskar D.} } @article {45935, title = {(Thio)urea-mediated benzoxazinone opening: mild approach towards synthesis of o-(substituted amido)benzamides}, journal = {RSC Advances}, volume = {4}, year = {2014}, month = {NOV}, pages = {6858 to 7367}, type = {Journal Article}, abstract = {C-terminal activation of N-acylated o-aminobenzoic acids and their derivatives during coupling reactions with amines would often pose a challenge due to the formation of a benzoxazinone intermediate, which may resist reacting with amines. This communication reports a mild approach towards the installation of an amide bond via benzoxazinone ring opening utilizing Schreiner{\textquoteright}s (thio)urea organocatalyst. Peptide coupling reactions oen encounter major hurdles because of the formation of side products during carbonyl activation of various amino acids, like N-carboxyanhydride, diketopiperazine etc. 1 1,3-benzoxazinones (Fig. 1) are a class of heterocyclic side products obtained upon C-terminal activation of anthranilic acid and their derivatives due to the intra-molecular cyclization of the benzamide oxygen, resulting in trace or no coupling. 2 Strategies meant either to avert its formation in situ or to react it with amines have been attempted through heating the reactants at elevated temperatures 3 and/or in the presence of bases. 2b,c However, such drastic conditions may cause quinazoline formation as well, owing to a second cyclodehydration of the coupled product. Moreover, applying such drastic conditions to amino acids may not be advisable due to the possibility of epimerization. We have been interested for quite some time in the devel-opment of foldamers containing the Ant{\textendash}Pro reverse-turn motif (Ant {\textonequarter} anthranilic acid, Pro {\textonequarter} proline), Fig. 1. 4 The striking feature of this motif is its robust 9-membered-ring intra-molecular H-bonding network. Occasionally, the formation of a benzoxazinone intermediate causes a drastic fall in the yield of coupled products. 5 Owing to the reduced reactivity of benzox-azinones towards amine nucleophiles, we attempted different conditions, such as heating the reaction mixture and under microwave conditions. Unfortunately, these procedures led to only partial conversion of the oxazinone into the product. Aer extensive effort, we were successful in developing an efficient method for coupling a range of isolated benzoxazinone inter-mediates via nucleophilic ring-opening utilizing DBU (1,8-dia-zabicycloundec-7-ene) in DMF containing A molecular sieves. 5 However, in a few cases, this method produced only meagre yields of the coupled product. One such instance was the reac-tion of 2-(2-azidopropan-2-yl)-2H-benzo[d][1,3]oxazin-4-one 1a, Table 1 (isolated as the major by-product on activation of 2-(2-azido-2-methylpropanamido)benzoic acid) with H-L Pro-OBn to obtain compound 2a. Scanty yields of the product isolated under DBU-mediated opening conditions impelled us to explore a carbonyl activation route to open the azlactone moiety. Hence, we employed some lactone activating agents, such as Sc(OTf) 3 , Ti(O i Pr) 4 etc., but none of the trials were rewarding.}, issn = {2046-2069}, doi = { 10.1039/c3ra45903a}, author = {Nair, R. V. and Sanjayan, G. J.} } @article { ISI:000341230100001, title = {Time and temperature effects on the digestive ripening of gold nanoparticles: is there a crossover from digestive ripening to ostwald ripening?}, journal = {Langmuir}, volume = {30}, number = {34}, year = {2014}, month = {SEP}, pages = {10143-10150}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The effects of time and temperature on the gold nanoparticle sizes obtained by digestive ripening have been investigated. In digestive ripening, a polydisperse colloid, upon refluxing with a surface-active ligand in a solvent, gets converted to a nearly monodisperse one. In this study, a polydisperse gold nanoparticle system was heated in 4-tert-butyltoluene with hexadecanethiol at different temperatures, viz., 60, 90, 120, 150, and 180 degrees C for different time periods, and the trends in particle size variations were recorded. At lower temperatures such as 60 and 90 degrees C, after the initial narrowing of the size distribution, the particle sizes remain constant even though the refluxing step is continued for 24 h, substantiating the prevalence of the digestive ripening process. However, at elevated temperatures (120, 150, and 180 degrees C) particle sizes grow continuously, indicating a deviation from the digestive ripening behavior to an Ostwald ripening-type phenomenon.
}, issn = {0743-7463}, doi = {10.1021/la500914j}, author = {Sahu, Puspanjali and Bhagavatula L. V. Prasad} } @article { ISI:000345975300012, title = {Titania nanoparticles stabilized HPA in SBA-15 for the intermolecular hydroamination of activated olefins}, journal = {ChemCatChem}, volume = {6}, number = {12}, year = {2014}, month = {DEC}, pages = {3347-3354}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A liquid phase hydroamination (HA) of alpha,beta-ethylenic compounds with amines was investigated with TiO2 nanoparticles stabilized 12-tungstophosphoric acid (TPA) in SBA-15. The catalysts were prepared by wet impregnation of TPA/TiO2 nanoparticles into the SBA-15 and calcined at different temperatures. The characterization results reveal that the textural properties and the acidity of the prepared catalysts can be finely controlled with the simple adjustment of the calcination temperature and the structure of the support, decorated with the TiO2 and TPA nanoparticles, was intact even after the modification. The prepared catalysts were investigated for HA of ethyl acrylate with different aromatic and aliphatic amines over a wide range of reaction conditions to optimize the yield and the selectivity of product. It was found that this process is 100\% atom efficient and the catalytic performance depended significantly on the loading of TPA over the catalyst and the calcination temperature. Under optimized reaction conditions, the best catalyst, 15 wt\% TPA/22.4 wt\% TiO2/SBA-15 calcined at 1123 K, offered the highest conversion of p-ethylaniline (70\%) with 100\% chemo-selectivity to the anti-Markovnikov product, i.e., the mono-addition product. The reaction was heterogeneously catalyzed and no contribution from leached TPA into the reaction was observed.
}, keywords = {heteropoly acids, hydroamination, mesoporous materials, nanocatalysts}, issn = {1867-3880}, doi = {10.1002/cctc.201402449}, author = {Sawant-Dhuri, Dhanashri and Balasubramanian, Veerappan V. and Ariga, Katsuhiko and Park, Dae-Hwan and Choy, Jin-Ho and Cha, Wang Soo and Al-deyab, Salem S. and Halligudi, Shivappa B. and Vinu, Ajayan} } @conference { ISI:000358999700317, title = {To study non linear features in circadian heart rate variability amongst healthy subjects}, booktitle = {2014 International Conference on Advances in Computing, Communications and Informatics (ICACCI)}, year = {2014}, note = {3rd International Conference on Advances in Computing, Communications and Informatics (ICACCI), New Delhi, INDIA, SEP 24-27, 2014}, month = {SEP}, pages = {1921-1927}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, organization = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {New Delhi, India}, abstract = {
ECG signal is used for diagnosis of ailments of heart. HRV is used as a predictive and prognostic marker of autonomic dis-functioning. ANS is known to influence heart and any dis-functioning of this system leads to cardiac disorders. ANS has endogenous circadian rhythm. Circadian rhythms are responsible for physical, mental and behavioral changes that follow a roughly 24-hour cycle. Previous studies have shown large inter and intra individual differences in HRV which has lead to difficulties in establishing standard norms. Therefore the aim of our study is to establish a brief protocol for HRV analysis where we will be able to extract features in shorter duration of recording, representative of 24 hour fluctuations in HRV. In this paper we have studied different linear as well as non-linear techniques to analyze circadian HRV. 24 hour ECG recording of 15 subjects using Minimum Activity Protocol subjected for HRV analysis.
}, keywords = {Circadian Rhythm, Correlation Dimensions, DFA, ECG, HRV}, isbn = {978-1-4799-3080-7}, author = {Tajane, Kapil and Pitale, Rahul and Phadke, Leena and Joshi, Aniruddha and Umale, Jayant} } @article { ISI:000341938100024, title = {Total syntheses of D-allo-1-deoxynojirimycin and L-talo-1-deoxynojirimycin via reductive cyclization}, journal = {RSC Advances}, volume = {4}, number = {77}, year = {2014}, month = {AUG}, pages = {40852-40858}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Synthesis of a polyhydroxypiperidine framework for L-talo-1-deoxynojirimycin and D-allo-1-deoxynojirimycin was achieved from L-tartaric acid by employing flash dihydroxylation and reductive lactamisation as the key steps.
}, issn = {2046-2069}, doi = {10.1039/c4ra06884j}, author = {Chavan, Subhash P. and Dumare, Nilesh B. and Pawar, Kailash P.} } @article { ISI:000336844400011, title = {Total synthesis of an anticancer norsesquiterpene alkaloid isolated from the fungus flammulina velutipes}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {24}, year = {2014}, month = {APR}, pages = {4098-4103}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The first total synthesis of a norsesquiterpene alkaloid (R)-8-hydroxy-4,7,7-trimethyl-7,8-dihydrocyclo-penta[e]isoindole-1,3(2 H,6H)-dione, isolated from the mushroom-forming fungus Flammulina velutipes, in both racemic and enantiomeric pure forms, is reported. The (-)-enantiomer of the natural product has been synthesized from the D-(-)-pantolactone chiral pool. The synthesis features a one-pot, three-step reaction sequence comprising an enyne RCM/Diels-Alder/aromatization to construct the desired indane skeleton present in the natural product. Our synthesis further confirms the assigned structure and absolute configuration of the natural product.
}, issn = {1477-0520}, doi = {10.1039/c4ob00300d}, author = {Kashinath, K. and Jadhav, Prakash D. and Reddy, D. Srinivasa} } @article { ISI:000346037500028, title = {Total synthesis of deoxy-solomonamide B by mimicking biogenesis}, journal = {Organic Letters}, volume = {16}, number = {23}, year = {2014}, month = {DEC}, pages = {6148-6151}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A total synthesis of Deoxy-solomonamide B was accomplished starting from tryptophan in an efficient manner by mimicking the proposed biogenetic route. The present synthesis utilizes a crotylation, oxidative cleavage of the indole moiety, and macrolactamization as key steps. The use of the indole nucleus as a masked anthranilic acid unit paves the way for the easy synthesis of related macrocycles and natural products where the ortho-acyl aniline moiety is embedded into them, which otherwise is difficult to synthesize.
}, issn = {1523-7060}, doi = {10.1021/ol503011g}, author = {Vasudevan, N. and Kashinath, K. and Reddy, D. Srinivasa} } @article { ISI:000344204600027, title = {Total synthesis of mangiferaelactone}, journal = {Tetrahedron Letters}, volume = {55}, number = {45}, year = {2014}, month = {NOV}, pages = {6263-6265}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Herein we document the first total synthesis of mangiferaelactone and thus establish its absolute configuration. The central nonenolide ring was constructed using ring closing metathesis and Yamaguchi esterification. The key alcohol fragment was synthesized by the Bernet-Vasella fragmentation of C-ribofuranoside. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Bernet-Vasella fragmentation, Nonenolide, Ring closing metathesis, Total synthesis, Yamaguchi protocol}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.09.084}, author = {Vadhadiya, Paresh M. and Ramana, C. V.} } @article { ISI:000340517200050, title = {Total synthesis of (+/-)-nardoaristolone B and its analogues}, journal = {Organic Letters}, volume = {16}, number = {16}, year = {2014}, month = {AUG}, pages = {4252-4255}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The first total synthesis of nardoaristolone B, a nor-sesquiterpenoid with an unusual fused ring system and having protective effects on the injury of neonatal rat cardiomyocytes, has been accomplished. Stereoselective synthesis of its novel analogues inlcuding exo-cyclopropyl ring fusion is also part of this disclosure. In addition, an alternate and more efficient one-step method to make a 3/5/6 tricyclic ring system using the Robinson annulation method has been developed toward the generation of a library of compounds around this skeleton.
}, issn = {1523-7060}, doi = {10.1021/ol501949r}, author = {Handore, Kishor L. and Reddy, D. Srinivasa} } @article { ISI:000336191600002, title = {Total synthesis of naturally occurring cephalosporolides E/F}, journal = {Tetrahedron}, volume = {70}, number = {23}, year = {2014}, month = {JUN}, pages = {3653-3656}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A modular total synthesis of cephalosporolides E/F featuring sequential epoxide-alkyne coupling and subsequent highly regioselective gold catalyzed alkynolcycloisomerizatio of the resulting alkynetetrol to construct the central spiroketal core has been documented. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Alkynetetrol, Cephalosporolide, Epoxide-alkyne coupling, Gold catalysis, Spiroketalization}, issn = {0040-4020}, doi = {10.1016/j.tet.2014.04.026}, author = {Kona, Chandrababu Naidu and Ramana, C. V.} } @article { ISI:000336248900015, title = {Total synthesis of the putative structure of xylarinol B}, journal = {Chemistry-An Asian Journal}, volume = {9}, number = {6}, year = {2014}, month = {JUN}, pages = {1557-1562}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The total synthesis of the putative structure of xylarinolB is described and the need to revise its structure is demonstrated. The central benzoxepine skeleton was constructed by employing a cobalt-mediated bimolecular [2+2+2] Reppe-Vollhardt alkyne cycloaddition reaction.
}, keywords = {Chiral pool, cobalt, Natural products, structure elucidation, Total synthesis}, issn = {1861-4728}, doi = {10.1002/asia.201301647}, author = {More, Atul A. and Ramana, Chepuri V.} } @article { ISI:000337074700019, title = {Towards a sustainable and near ambient DeNO(x) under lean burn conditions: a revisit to no reduction on virgin and modified pd(111) surfaces}, journal = {ACS Catalysis}, volume = {4}, number = {6}, year = {2014}, month = {JUN}, pages = {1801-1811}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Catalytic conversion of NO in the presence of H-2 and O-2 has been studied on Pd(111) surfaces, by using a molecular beam instrument with mass spectrometry detection, as a function of temperature and reactants composition. N-2 and H2O are the major products observed, along with NH3 and N2O minor products under all conditions studied. Particular attention has been paid to the influence of O-2 addition toward NO dissociation. Although O-2-rich compositions were found to inhibit the deNO(x) activity of the Pd catalyst, some enhancement in NO reduction to N-2 was also observed up to a certain O-2 content. The reason for this behavior was determined to be the effective consumption of the H-2 in the mixture by the added O-2 and O atoms from NO dissociation. NO was proven to compete favorably against O-2 for the consumption of H-2, especially \<= 550 K, to produce N-2 and H2O. Compared with other elementary reaction steps, a slow decay observed with the 2H + 0 -\> H2O step under SS beam oscillation conditions demonstrates its contribution to the rate-limiting nature of the overall reaction. Pd(111) surfaces modified with O atoms in the subsurface (Md-Pd(111)) induces steady-state NO reduction at near-ambient temperatures (325 K) and opens up a possibility to achieve room temperature emission control. A 50\% increase in the reaction rates was observed at the reaction maximum on Md-Pd(111), as compared with virgin surfaces. Oxygen adsorption is severely limited below 400 K, and effective NO + H-2 reaction occurs on Md-Pd(111) surfaces. Valence band photoemission with a UV light source (He I) under different oxygen pressures with APPES clearly identified the characteristics of the Md-Pd(111) surfaces and PdO. The electron-deficient or cationic nature of Md-Pd(111) surfaces enhances the NO dissociation and inhibits oxygen chemisorption \<= 400 K under lean-burn conditions.
}, keywords = {deNO(x), heterogeneous catalysis, Hydrogen, lean burn, molecular beam, nitric oxide, Palladium, surface modification}, issn = {2155-5435}, doi = {10.1021/cs500342a}, author = {Roy, Kanak and Jain, Ruchi and Gopinath, Chinnakonda S.} } @article { ISI:000345455100014, title = {Towards efficient synthesis of sugar alcohols from mono- and poly-saccharides: role of metals, supports \& promoters}, journal = {Green Chemistry}, volume = {16}, number = {12}, year = {2014}, month = {AUG}, pages = {4944-4954}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
{Biomass derived sugar alcohols (xylitol, arabitol) find numerous uses in the food, oral hygiene and pharmaceutical industries. Their direct synthesis from poly-saccharides, however, still remains an immense challenge. In this study, we demonstrate in detail the effects of metals, supports and promoters in enhancing the yields of sugar alcohols from mono- and poly-saccharides. We undertook synthesis of bimetallic catalysts, M-M{\textquoteright}/S (M
}, issn = {1463-9262}, doi = {10.1039/c4gc01264j}, author = {Tathod, Anup P. and Dhepe, Paresh Laxmikant} } @article { ISI:000339367300057, title = {Transition-metal-free C-S bond formation: a facile access to aryl sulfones from sodium sulfinates via arynes}, journal = {Organic Letters}, volume = {16}, number = {14}, year = {2014}, month = {JUL}, pages = {3836-3839}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Sulfones have been attractive targets for synthetic organic chemists owing to their immense applications in medicinal, material, and synthetic chemistry. In this context, an efficient transition-metal-free process has been demonstrated, wherein a broad range of alkyl/aryl/heteroaryl sodium sulfinates react with varyingly substituted aryne precursors (o-silyl aryl triflates) under mild reaction conditions to afford structurally diverse sulfones in good to excellent yields.
}, issn = {1523-7060}, doi = {10.1021/ol5018646}, author = {Pandya, Virat G. and Mhaske, Santosh B.} } @article { ISI:000336158700036, title = {Triple nanocomposites of CoMn2O4, Co3O4 and reduced graphene oxide for oxidation of aromatic alcohols}, journal = {Catalysis Science \& Technology}, volume = {4}, number = {6}, year = {2014}, month = {MAY}, pages = {1771-1778}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A composite of reduced graphene oxide (RGO) with oxides of manganese and cobalt together was prepared by a solvothermal method. During synthesis, both the reduction of graphene oxide as well as the growth of nanorod shaped CoMn2O4 and Co3O4 occurred simultaneously having a crystallite size of similar to 8 nm calculated from X-ray diffraction (XRD). The as-obtained triple nanocomposite material designated as RGO-MnCoO exhibited excellent activity for the liquid phase aerobic oxidation of aromatic alcohols under base-free conditions selectively giving the corresponding aldehydes (\>85\%). RGO loading was varied in the range of 1-10\%, among which 1\% RGO-MnCoO showed maximum catalytic activity enhancement of 24\% as compared to the bare mixed oxide (MnCo-MO) for the oxidation of vanillyl alcohol. HR-TEM of RGO-MnCoO revealed that it was a composite material having uniform nanotubes of similar to 25 nm length and 6 nm diameter with a fringe pattern showing the (103) and (004) planes and lattice spaces of 0.26 nm and 0.22 nm, respectively, for the spinel CoMn2O4. The detailed studies on the morphology, size and composition of the as-prepared RGO-MnCoO nanocomposite by XRD, XPS, N-2-adsorption/desorption and O-2-TPD techniques were used to understand the role of RGO in the enhancement of catalytic activity for oxidation reaction.
}, issn = {2044-4753}, doi = {10.1039/c3cy01025b}, author = {Jha, Ajay and Mhamane, Dattakumar and Suryawanshi, Anil and Joshi, Sameer M. and Shaikh, Parvez and Biradar, Narayan S. and Ogale, Satishchandra and Rode, Chandrashekhar V.} } @article { ISI:000342064100002, title = {Tryptophan environment and functional characterization of a kinetically stable serine protease containing a polyproline II fold}, journal = {Journal of Fluorescence}, volume = {24}, number = {5}, year = {2014}, month = {SEP}, pages = {1363-1370}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The single tryptophan residue from Nocardiopsis sp. serine protease (NprotI) was studied for its microenvironment using steady state and time-resolved fluorescence. The emission maximum was observed at 353 nm with excitation at 295 nm indicating tryptophan to be solvent exposed. Upon denaturation with 6 M guanidinum thiocyanate (GuSCN) the emission maxima was shifted to 360 nm. Solute quenching studies were performed with neutral (acrylamide) and ionic (I- and Cs+) quenchers to probe the exposure and accessibility of tryptophan residue of the protein. Maximum quenching was observed with acrylamide. In the native state, quenching was not observed with Cs+ indicating presence of only positively charged environment surrounding tryptophan. However; in denatured protein, quenching was observed with Cs+, indicating charge reorientation after denaturation. No quenching was observed with Cs+ even at pH 1.0 or 10.0; while at acidic pH, a higher rate of quenching was observed with KI. This indicated presence of more positive charge surrounding tryptophan at acidic pH. In time resolved fluorescence measurements, the fluorescence decay curves could be best fitted to monoexponential pattern with lifetimes of 5.13 ns for NprotI indicating one conformer of the trp. Chemical modification studies with phenyl glyoxal suggested presence of Arg near the active site of the enzyme. No inhibition was seen with soyabean trypsin and limabean inhibitors, while, CanPI uncompetitively inhibited NprotI. Various salts from Hofmeister series were shown to decrease the activity and PPII content of NprotI.
}, keywords = {Fluorescence quenching, Hofmeister series, Nocardiopsis, Serine protease, Tryptophan}, issn = {1053-0509}, doi = {10.1007/s10895-014-1445-5}, author = {Rohamare, Sonali B. and Gaikwad, Sushama M.} } @article { ISI:000342117600019, title = {Tuning the regioselectivity of gold-catalyzed internal nitroalkyne redox: a cycloisomerization and [3+2]-cycloaddition cascade for the construction of spiro-pseudoindoxyl skeleton}, journal = {Organic Letters}, volume = {16}, number = {18}, year = {2014}, month = {SEP}, pages = {4766-4769}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A simple domino process for the construction of the tricyclic core present in the spiro-pseudoindoxyl natural products has been developed. This involves two intramolecular events: the Au-catalyzed nitroalkyne redox leading to isatogen and its subsequent [3 + 2]-cycloaddition with a suitably positioned olefin. The option to modulate the size of the spiro-annulated ring, which is an important variable in this class of natural products, has been explored. Overall, this process molds a linear precursor into a tricyclic system with complete step, atom, and redox economy.
}, issn = {1523-7060}, doi = {10.1021/ol502213w}, author = {Kumar, Chepuri V. Suneel and Ramana, Chepuri V.} } @article { ISI:000331774700017, title = {Two-in-one: inherent anhydrous and water-assisted high proton conduction in a 3D metal-organic framework}, journal = {Angewandte Chemie-International Edition}, volume = {53}, number = {10}, year = {2014}, month = {MAR}, pages = {2638-2642}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The development of solid-state proton-conducting materials with high conductivity that operate under both anhydrous and humidified conditions is currently of great interest in fuel-cell technology. A 3Dmetal-organic framework (MOF) with acid-base pairs in its coordination space that efficiently conducts protons under both anhydrous and humid conditions has now been developed. The anhydrous proton conductivity for this MOF is among the highest values that have been reported for MOF materials, whereas its water-assisted proton conductivity is comparable to that of the organic polymer Nafion, which is currently used for practical applications. Unlike other MOFs, which conduct protons either under anhydrous or humid conditions, this compound should represent a considerable advance in the development of efficient solid-state proton-conducting materials that work under both anhydrous and humid conditions.
}, keywords = {conducting materials, fuel cells, metal-organic frameworks, porous materials, proton conduction}, issn = {1433-7851}, doi = {10.1002/anie.201309077}, author = {Nagarkar, Sanjog S. and Unni, SreeKuttan M. and Sharma, Amitosh and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article { ISI:000345295000016, title = {Two-phase flow in metal monoliths: hydrodynamics and liquid-liquid extraction}, journal = {Canadian Journal of Chemical Engineering}, volume = {92}, number = {12}, year = {2014}, month = {DEC}, pages = {2166-2175}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
This work aims to explore the application of metal monoliths as a scale-up option for efficient liquid-liquid extraction. The pressure drop, mass transfer and residence time distribution are measured for low Ca (approximate to 10(-5)) with monoliths having three different cell densities. The cross-over section between two monoliths was seen to enhance mixing in the column. However, the RTD of two-phase liquid-liquid up-flow was inferior to the single phase RTD. For higher cell density substrates, the cross-over zones seem to cause trapping of slugs due to non-superimposing channel ends. Relatively high shear rates through the film of continuous phase helped enhance the mass transfer rates, thereby helping to achieve the desired extraction in a short column. The entrance sections and cross-over zones between the monoliths adversely affected the extraction for higher cell density monoliths. The analysis of data supports use of low cell density monolith for better performance and scale up.
}, keywords = {capillary, hydrodynamics, liquid-liquid extraction, monolith, slug flow}, issn = {0008-4034}, doi = {10.1002/cjce.22081}, author = {Deshpande, Jaydeep B. and Gosavi, Abha and Kulkarni, Amol A.} } @article {42675, title = {Ultrathin sheets of metal or metal sulfide from molecularly thin sheets of metal thiolates in solution}, journal = {Chemistry of Materials}, volume = {26}, year = {2014}, month = {MAY}, pages = {3436-3442}, abstract = {
Materials that exist as single molecule thick twodimensional sheets are in great demand because they hold promise as precursors for synthesis of layered functional materials. We demonstrate that metal thiolates, that exist as lamellar assemblies in the neat state, can be disassembled into individual molecular sheets simply by dilution in apolar organic solvents and that these can form ultrathin metallic layers on substrates upon heat treatment. We establish the pathway to the disassembly of metal thiolates in solution using a combination of techniques, including X-ray diffraction, light scattering, FTIR, and TEM. Our results indicate that the lamellar structure of Pd-thiolates is preserved in toluene up to a concentration of 300\% w/v and the average intersheet distance is unchanged. Interestingly, the dynamics of the Pd-thiolate sheets remain correlated even on diluting them up to 30\% w/v, though the disorder within the lamellar stacks increases with a decrease in their coherence length. Finally, at dilutions less than about 5\% w/v, individual sheets of these structures can be accessed that are isolated and directly observed using TEM. Heat treatment of the ultrathin films of metal thiolates deposited on appropriate substrates resulted in the formation of metal or metal sulfides with retention of sheetlike morphologies.
}, doi = {10.1021/cm5006949}, author = {Busupalli, Balanagulu and Kummara, Sreenivas and Kumaraswamy, Guruswamy and Bhagavatula L. V. Prasad} } @article { ISI:000333235600009, title = {Understanding the effect of locked nucleic acid and 2 {\textquoteleft}-O-methyl modification on the hybridization thermodynamics of a miRNA-mRNA pair in the presence and absence of AfPiwi protein}, journal = {Biochemistry}, volume = {53}, number = {10}, year = {2014}, month = {MAR}, pages = {1607-1615}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
miRNAs are some of the key epigenetic regulators of gene expression. They act through hybridization with their target mRNA and modulate the level of respective proteins via different mechanisms. Various cancer conditions are known to be associated with up- and downregulation of the oncogenic and tumor suppressor miRNAs, respectively. The levels of aberrantly expressed oncogenic miRNAs can be downregulated in different ways. Similarly, restoration of tumor suppressor miRNAs to their normal levels can be achieved using miRNA mimics. However, the use of miRNA mimics is limited by their reduced biostability and function. We have studied the hybridization thermodynamics of the miRNA 26a (11-mer, including the seed sequence) guide strand with the mRNA (11-mer) target strand in the absence and presence of AfPiwi protein. We have also inserted locked nucleic acids (LNAs) and 2{\textquoteright}-O-methyl-modified nucleotides into the guide strand, in a walk-through manner, to assess their effect on the binding efficiency between guide and target RNA. Insertion of LNA and 2{\textquoteright}-O-methyl-modified nucleotides into the guide strand helped to strengthen the binding affinity irrespective of the position of insertion. However, in the presence of AfPiwi protein, these modifications reduced the binding affinity to different extents depending on the position of insertion. Insertion of a modification leads to an increase in the enthalpic contribution with an increased unfavorable entropic contribution, which negatively compensates for the higher favorable enthalpy.
}, issn = {0006-2960}, doi = {10.1021/bi401677d}, author = {Kumar, Santosh and Mapa, Koyeli and Maiti, Souvik} } @article { ISI:000329960500033, title = {Unexpected observations during the total synthesis of calothrixin B-sodium methoxide as a source of hydride}, journal = {Tetrahedron Letters}, volume = {55}, number = {1}, year = {2014}, month = {JAN}, pages = {155-162}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
During the total synthesis of calothrixin B, various novel and unexpected results were noticed such as cleavage of C-N bond in imine using sodium cyanoborohydride, sodium methoxide as a hydride source for reduction, deformylation in the presence of bromine, and deacylation using ceric ammonium nitrate (CAN). A detailed mechanism has been proposed for the unexpected results and a few of them are generalized. Temperature dependent NMR studies have been carried out for confirmation of the structure of one of the intermediates in the synthetic sequence. (C) 2013 Elsevier Ltd. All rights reserved.
}, keywords = {Azoxybenzene, Calothrixin B, reduction, Sodium cyanoborohydride, Sodium methoxide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.10.140}, author = {Bhosale, Shrikar M. and Momin, Aadil A. and Kunjir, Shrikant and Rajamohanan, P. R. and Kusurkar, Radhika S.} } @article { ISI:000340931800032, title = {Unusual behavior of propane as a co-guest during hydrate formation in silica sand: potential application to seawater desalination and carbon dioxide capture}, journal = {Chemical Engineering Science}, volume = {117}, year = {2014}, month = {SEP}, pages = {342-351}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We report an unusual behavior of hydrate formation in silica sand with gas mixtures containing propane as a co-guest. Based on morphology study we observed that propane as a co-guest has the ability to draw water dispersed in silica sand to the hydrate formation region and showed a tendency to result in drastic hydrate growth due to the migration of water molecules to the gas phase region. Hydrate nucleation occurred in the interstitial pore space between the silica sand particles and hydrate growth occurred in the gas phase above the silica sand bed and to sustain the hydrate growth, dispersed water was drawn towards the hydrate growth front. In addition, we elucidated the effect of sand bed height to maximize the growth rates utilizing this behavior that results in enhanced kinetics. We propose conceptual designs for utilizing this behavior of propane as a co-guest in sand for seawater desalination and an innovative approach to simultaneously capture carbon dioxide and desalinate seawater. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon dioxide capture, Desalination, Enhanced kinetics, Gas hydrates, Propane hydrate: pre-combusuon capture}, issn = {0009-2509}, doi = {10.1016/j.ces.2014.06.044}, author = {Babu, Ponnivalavan and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000337124900036, title = {Unusual morphologies of reduced graphene oxide and polyaniline nanofibers-reduced graphene oxide composites for high performance supercapacitor applications}, journal = {RSC Advances}, volume = {4}, number = {43}, year = {2014}, month = {APR}, pages = {22551-22560}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein, we have demonstrated the nanostructured rose flowers, sheets, rods and ferns of reduced graphene oxide by using oxalic acid as a reducing agent. The various morphologies of reduced graphene oxide were obtained by time dependent reduction of graphene oxide. The composites of reduced graphene oxide based polyaniline nanofibers, flower bouquet, and honeycombs were grown at a moderate temperature (60 degrees C) by in situ polymerization of aniline. The structural characterization of composites was performed by using X-ray diffraction, and the existence of reduced graphene oxide in different size, shape and thickness was confirmed by Raman spectroscopy and transmission electron microscopy study. The electrochemical study of reduced graphene oxides and their composites with polyaniline nanostructures was performed. The composite of honeycomb reduced graphene oxide-polyaniline nanofibers showed enhancement in the electrochemical performance (specific capacitance: 470 F g(-1)) compared to earlier reports. Such type of composites will be a potential contender for super capacitors.
}, issn = {2046-2069}, doi = {10.1039/c3ra47834c}, author = {Diggikar, Rahul S. and Late, Dattatray J. and Kale, Bharat B.} } @article { ISI:000341552000004, title = {Unusual, selective, reductive, deoxygenation of cyclopentenone alcohols}, journal = {Tetrahedron Letters}, volume = {55}, number = {38}, year = {2014}, month = {SEP}, pages = {5241-5243}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A selective, reductive, deoxygenation of 2-aryl-4-hydroxycyclopent-2-en-1-ones to afford 2-aryl-cyclopent-2-en-1-ones was achieved by NaBH4-CeCl3 in methanol. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Cyclopentenone alcohol, Enone, Luche reduction, Reductive deoxygenation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.07.122}, author = {Bavikar, Suhas R. and Lasonkar, Trupti P. and Chavan, Subhash P. and Borate, Hanumant B.} } @article { ISI:000330812400027, title = {Uptake of Azo dyes into silk glands for production of colored silk cocoons using a green feeding approach}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {2}, year = {2014}, month = {FEB}, pages = {312-317}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Dyeing of textile fabrics is considered to be one of the most polluting industries today, and there is a need to develop green processes that can reduce this pollution. A promising technology that can potentially cleanup the dyeing of silk fibers that are widely used for textile applications would involve the generation of intrinsically colored silk cocoons. This can be achieved by feeding of Bombyx mori silkworm larvae with a modified feed of mulberry leaves containing a sprayed dye solution. This process significantly reduces the need for treating toxic dye effluents that are generated in traditional dyeing processes. In this report, we have evaluated a set of seven different azo dyes that are used in the textile industry for dyeing to produce intrinsically dyed silk. The dyes used in the study had similar chemical structures with systematically varying partition coefficients. The results suggest that while some dyes produced intrinsically colored silk other did not. Careful evaluation of the physical properties of these related azo dyes suggest that the balance of hydrophobic and hydrophilic character is necessary for diffusion of the dye from the alimentary canal of the silkworm larva into the hemolymph and later into the silk glands. The partition coefficient of the dye also determines the preferential association of the dye with either sericin or fibroin protein in the silkworm gland and finally into the cocoon. These insights are extremely important in development of novel dye molecules that can be successfully fed to Bombyx mori silkworm larvae for producing intrinsically colored silk of various colors and shades.
}, keywords = {Azo dyes, Biochemical pathways, Color silk, Dye uptake, {\textquoteleft}{\textquoteright} Green {\textquoteleft}{\textquoteright} silk}, issn = {2168-0485}, doi = {10.1021/sc400355k}, author = {Nisal, Anuya and Trivedy, Kanika and Mohammad, Hasan and Panneri, Suyana and Sen Gupta, Sayam and Lele, Ashish K. and Manchala, Ramesh and Kumar, Nirmal S. and Gadgil, Mugdha and Khandelwal, Harish B. and More, Snehal and Laxman, Ryali Seeta} } @article { ISI:000334658000001, title = {UV photoelectron spectroscopy at near ambient pressures: mapping valence band electronic structure changes from Cu to CuO}, journal = {Analytical Chemistry}, volume = {86}, number = {8}, year = {2014}, month = {APR}, pages = {3683-3687}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Valence band (VB) changes and hence electronic structure evolution was directly observed with low kinetic energy (KE) electrons at near ambient pressure (NAP) conditions with He I photon source in a custom built laboratory ambient pressure photoelectron spectrometer (Lab-APPES). Polycrystalline Cu surfaces were gradually oxidized in O-2 to Cu2O, to a mixture of Cu2O + CuO, and finally to CuO between 300 and 625 K and at NAP. Typical VB features for Cu, Cu2O, and CuO were observed, and the results corroborate well with core level and Auger spectral changes. High mean free path associated with low KE electrons, very low or no inelastic scattering, and effective pumping and the design of electrostatic lens regime help to minimize the electron attenuation at NAP conditions. The present results extend the capabilities of the APPES tool to explore the in situ evolution of electronic structure of materials at NAP and high temperatures.
}, issn = {0003-2700}, doi = {10.1021/ac4041026}, author = {Roy, Kanak and Gopinath, Chinnakonda S.} } @article { ISI:000334895800008, title = {Value addition to lignocellulosics and biomass-derived sugars: an insight into solid acid-based catalytic methods}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {373-385}, publisher = {Catalysis Soc India}, type = {Article, Proceedings Paper}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
For the synthesis of important platform chemicals such as sugars (xylose and arabinose) and furans (furfural and 5-hydroxymethylfurfural (HMF)) from carbohydrates (hemicellulose and fructose) solid acid catalysts are employed. Similarly, over solid acid catalysts, conversion of lignin into aromatic monomers is performed. It is observed that in the dehydration of fructose, because of higher hydrothermal stability, silicoaluminophosphate (SAPO) catalysts give better activity (78\% HMF yield) compared with other solid acid catalysts (\<63\% HMF yield) at 175 degrees C. Particularly, SAPO-44 catalyst can be reused at least 5 times with marginal decrease in the activity. Zeolite, BUSY (Si/Al = 15) is active in the conversion of isolated (pure) hemicellulose to produce 41\% C-5 sugars in water. The catalyst is also active in the selective conversion of hemicellulose from bagasse to yield 59\% C-5 sugars. It is possible to obtain high yields of furfural (54\%) directly from bagasse if instead of water, Water+toluene solvent system is used. Depolymerization of lignin using HUSY catalyst produced aromatic monomers with 60\% yield at 250 degrees C. A detailed catalyst characterization study is performed to understand the correlation between catalyst activity and morphology. To understand the effect of impurities present in the substrate over solid acid catalysts, metal-exchange study is carried out.
}, keywords = {aromatic monomers, Biomass, furans, Hemicellulose, lignin, solid acid catalyst}, issn = {0974-3626}, author = {Bhaumik, Prasenjit and Deepa, Ayillath K. and Kane, Tanushree and Dhepe, Paresh Laxmikant} } @article { ISI:000331493200090, title = {Vapor-liquid-solid growth of one-dimensional tin sulfide (sns) nanostructures with promising field emission behavior}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {3}, year = {2014}, month = {FEB}, pages = {2018-2025}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Single-crystalline ultralong tin sulfide (SnS) nanowires has been grown by a thermal evaporation technique under optimized conditions on gold-coated silicon substrates, and for the first time, field emission investigations on the SnS nanowires at the base pressure of 1 X 10(-8) mbar are reported. It has been revealed that the surface morphology of the as-synthesized SnS nanostructures is significantly influenced by the deposition temperature and duration. Structural and morphological analyses of as-synthesized SnS nanostructures have been carried out using X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). To understand the optical and electronic properties of as-synthesized SnS nanowires, ultraviolet-visible (UV-vis), photo-luminescence (PL), and X-ray photoelectron spectroscopy (XPS) studies were carried out. The SEM and TEM measurements reveal the formation of ultralong SnS nanowires, with an average diameter of 80 nm. A plausible explanation on the vapor-solid-liquid (VLS) growth mechanism based on the experimental results and reported literature has been presented. Furthermore, the field emission characteristics of the SnS nanowires are found to be superior to the other metal chalcogenide nanostructures. The synthesized SnS nanowire emitter delivers a high current density of similar to 2.5 mA/cm(2) at an applied electric field of similar to 4.55 V/mu m. The emission current stability over a period of 6 h is observed to be good. The observed results demonstrate the potential of the SnS nanowire emitter as an electron source for practical applications in vacuum nano/microelectronic devices.
}, keywords = {Electron emission, ID nanostructure, SnS nanowires, thermal evaporation, vapor-liquid-solid (VLS) growth}, issn = {1944-8244}, doi = {10.1021/am405039j}, author = {Suryawanshi, Sachin R. and Warule, Sambhaji S. and Patil, Sandip S. and Patil, Kashinath R. and More, Mahendra A.} } @article { ISI:000336738400017, title = {Variation of CO2 adsorption in isostructural Cd(II)/Co(II) based MOFs by anion modulation}, journal = {CrystEngComm}, volume = {16}, number = {23}, year = {2014}, month = {JUN}, pages = {5012-5020}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
{A potential multidentate tris-pyridyl ligand has been synthesized, and later employed for the tailoring of four isostructural cadmium(II)/cobalt(II) two dimensional (2D) metal organic frameworks, [[ M(dmpt)(2)(X)(2)].xS](n), where S = solvent
}, issn = {1466-8033}, doi = {10.1039/c4ce00058g}, author = {Singh, Udai P. and Narang, Shikha and Pachfule, Pradip and Banerjee, Rahul} } @article { ISI:000335773800005, title = {Vesicle structures from bolaamphiphilic biosurfactants: experimental and molecular dynamics simulation studies on the effect of unsaturation on sophorolipid self-assemblies}, journal = {Chemistry-A European Journal}, volume = {20}, number = {21}, year = {2014}, month = {MAY}, pages = {6246-6250}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The formation of giant-vesicle-like structures by self-assembling linolenic acid sophorolipid (LNSL) molecules is revealed. Sophorolipids belong to the class of bolaamphiphilic glycolipid biosurfactants. Interestingly, the number of double bonds present in the hydrophobic core of sophorolipids is seen to have a great influence on the type of self-assembled structures formed. Dye encapsulation results establish the presence of an aqueous compartment inside the LNSL vesicles. Molecular dynamics simulation (MD) studies suggest the existence of two possible conformations of LNSLs inside the self-assembled structures and that LNSL molecules arrange in layered structures.
}, keywords = {bolaamphiphiles, MD simulations, Self-assembly, sophorolipids, vesicles}, issn = {0947-6539}, doi = {10.1002/chem.201304719}, author = {Dhasaiyan, Prabhu and Pandey, Prithvi Raj and Visaveliya, Nikunjkumar and Roy, Sudip and Bhagavatula L. V. Prasad} } @article {46366, title = {Water electrolysis with a conducting carbon cloth: subthreshold hydrogen generation and superthreshold carbon quantum dot formation}, journal = {ChemSusChem}, volume = {7}, year = {2014}, month = {MAR}, pages = {883-889}, type = {Article}, abstract = {
A conducting carbon cloth, which has an interesting turbostratic microstructure and functional groups that are distinctly different from other ordered forms of carbon, such as graphite, graphene, and carbon nanotubes, was synthesized by a simple one-step pyrolysis of cellulose fabric. This turbostratic disorder and surface chemical functionalities had interesting consequences for water splitting and hydrogen generation when such a cloth was used as an electrode in the alkaline electrolysis process. Importantly, this work also gives a new twist to carbon-assisted electrolysis. During electrolysis, the active sites in the carbon cloth allow slow oxidation of its surface to transform the surface groups from COH to COOH and so forth at a voltage as low as 0.2V in a two-electrode system, along with platinum as the cathode, instead of 1.23V (plus overpotential), which is required for platinum, steel, or even graphite anodes. The quantity of subthreshold hydrogen evolved was 24mLcm(-2)h(-1) at 1V. Interestingly, at a superthreshold potential (\>1.23V+overpotential), another remarkable phenomenon was found. At such voltages, along with the high rate and quantity of hydrogen evolution, rapid exfoliation of the tiny nanoscale (5-7nm) units of carbon quantum dots (CQDs) are found in copious amounts due to an enhanced oxidation rate. These CQDs show bright-blue fluorescence under UV light.
}, keywords = {Carbon, electrolysis, Hydrogen, photoluminescence, quantum dots}, issn = {1864-5631}, doi = {10.1002/cssc.201300827}, author = {Biswal, Mandakini and Deshpande, Aparna and Kelkar, Sarika and Ogale, Satishchandra} } @article { ISI:000344906500001, title = {Way toward {\textquoteleft}{\textquoteleft}dietary pesticides{\textquoteright}{\textquoteright}: molecular investigation of insecticidal action of caffeic acid against helicoverpa armigera}, journal = {Journal of Agricultural and Food Chemistry}, volume = {62}, number = {45}, year = {2014}, month = {NOV}, pages = {10847-10854}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Bioprospecting of natural molecules is essential to overcome serious environmental issues and pesticide resistance in insects. Here we are reporting insights into insecticidal activity of a plant natural phenol. In silico and in vitro screening of multiple molecules supported by in vivo validations suggested that caffeic acid (CA) is a potent inhibitor of Helicoverpa armigera gut proteases. Protease activity and gene expression were altered in CA-fed larvae. The structure-activity relationship of CA highlighted that all the functional groups are crucial for inhibition of protease activity. Biophysical studies and molecular dynamic simulations revealed that sequential binding of multiple CA molecules induces conformational changes in the protease(s) and thus lead to a significant decline in their activity. CA treatment significantly inhibits the insect{\textquoteright}s detoxification enzymes, thus intensifying the insecticidal effect. Our findings suggest that CA can be implicated as a potent insecticidal molecule and explored for the development of effective dietary pesticides.
}, keywords = {Caffeic acid, Helicoverpa armigera, insecticidal activity, protease inhibitor}, issn = {0021-8561}, doi = {10.1021/jf503437r}, author = {Joshi, Rakesh S. and Wagh, T. P. and Sharma, N. and Mulani, Fayaj A. and Sonavane, U. and Thulasiram, H. V. and Joshi, Rakesh S. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000344997100001, title = {When gold meets chiral bronsted acid catalysts: extending the boundaries of enantioselective gold catalysis}, journal = {Chemical Communications}, volume = {50}, number = {96}, year = {2014}, month = {AUG}, pages = {15124-15135}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This review describes the development in the use of Au(I)/Bronsted acid binary catalytic systems to enable an enantioselective transformation in one-pot that cannot be achieved by gold catalysts alone. The examples discussed herein are promising since apart from using chiral ligands there exists a possibility of using chiral Bronsted acids. Clearly, the horizon for enantioselective gold catalysis has been expanded as more options to make the gold-catalyzed reactions enantioselective have become available.
}, issn = {1359-7345}, doi = {10.1039/c4cc04633a}, author = {Inamdar, Suleman M. and Konala, Ashok and Patil, Nitin T.} } @article { ISI:000340347700042, title = {ZIF-8@PBI-Bul composite membranes: elegant effects of PBI structural variations on gas permeation performance}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {32}, year = {2014}, month = {AUG}, pages = {12962-12967}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The composites of metal organic frameworks (MOFs) and polymers look promising as membrane materials for gas separation, provided benefits of both the components can be shown successfully. This work shows that the structural architecture of polybenzimidazole (PBI) is highly advantageous in offering attractive gas permeation properties of its composites with MOFs. PBI-Bul and its N-substituted (methyl and 4-tert-butylbenzyl) derivatives were blended with ZIF-8. In general, homogeneous blend formation of ZIF-8 was achieved with all three polymers, as supported by SEM. Wide angle X-ray diffraction, mechanical property analysis and density measurements of the composite membranes were performed in order to understand the effects of physical blending of MOFs and polymers. Gas permeability analysis of the composite membranes revealed that the properties of MOFs as well as those of polymers arising from their structural architecture are responsible for governing the permeability and selectivity of the resulting composites.
}, issn = {2050-7488}, doi = {10.1039/c4ta00611a}, author = {Bhaskar, Anand and Banerjee, Rahul and Kharul, Ulhas K.} } @article { ISI:000336844400010, title = {Zinc mediated allylations of chlorosilanes promoted by ultrasound: synthesis of novel constrained sila amino acids}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {24}, year = {2014}, month = {MAY}, pages = {4093-4097}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple, fast and efficient method for allylation and propargylation of chlorosilanes through zinc mediation and ultrasound promotion is reported. As a direct application of the resulting bis-allylsilanes, three novel, constrained sila amino acids are prepared for the first time. The design and synthesis of the constrained sila analogue of GABA (gamma-amino butyric acid) is a highlight of this work.
}, issn = {1477-0520}, doi = {10.1039/c4ob00294f}, author = {Ramesh, Remya and Reddy, D. Srinivasa} } @article {46403, title = {ZnO(N)-Spiro-MeOTAD hybrid photodiode: an efficient self-powered fast-response UV (visible) photosensor}, journal = {Nanoscale}, volume = {6}, year = {2014}, month = {FEB}, pages = {503-513}, type = {Article}, abstract = {
Organic-inorganic hybrid photo-detectors with a self-sufficient mode of operation represent a research area of great current interest. In most efficient photodetectors and optoelectronic devices compound semiconductors containing toxic elements such as Cd, As, Te, S, Se etc. are used and these are also expensive. Hence there is also a rapidly growing interest in replacing these with environmentally friendly and earth-abundant materials. Herein, we report a facile solution-processed fabrication of a self-powered organic-inorganic hybrid photodetector using n-type oriented ZnO nanorods and p-type Spiro-MeOTAD semiconductor. ZnO is eco-friendly and earth-abundant, and Spiro-MeOTAD is nonhazardous. We show that the latter has far less toxicity than the toxic elements stated above. This visible blind UV photodetector shows high sensitivity (10(2)) and a UV/visible rejection ratio of 300. It also exhibits fast response times of tau(rise) similar to 200 mu s and tau(fall) similar to 950 mu s. Importantly, with a small modification of nitrogen incorporation in ZnO one can also realize a highly-sensitive self-powered visible light photodetector with at least 1000\% (or higher) improvements in quality factors (photocurrent/sensitivity/response time) as compared to previously reported organic-inorganic hybrid photo-detectors based on metal-chalcogenides (CdS-PANI or CuInSe2-P3HT). Interestingly, the broadband sensitivity of such N:ZnO-Spiro-MeOTAD photodiode enables sensing of low intensity (similar to 28 mu W cm(-2)) ambient white light with a high photocurrent density of 120 nA cm(-2) making it an efficient ambient white light detector.
}, issn = {2040-3364}, doi = {10.1039/c3nr04727j}, author = {Game, Onkar and Singh, Upendra and Kumari, Tanya and Banpurkar, Arun and Ogale, Satishchandra} } @article { ISI:000355985500014, title = {1,2,3-Triazole derivatives as antitubercular agents: synthesis, biological evaluation and molecular docking study}, journal = {MedChemComm}, volume = {6}, number = {6}, year = {2015}, month = {MAY}, pages = {1104-1116}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Searching for new active molecules against Mycobacterium tuberculosis (MTB) H37Ra, a small focused library of 1,2,3-triazoles has been efficiently prepared via a click chemistry approach. The newly synthesized compounds were tested against drug-sensitive MTB. Several derivatives were found to be promising inhibitors of MTB characterized by lower MIC values (5.8-29.9 mu g mL(-1)). Among all the synthesized 31 compounds, 15e was the most active compound against MTB. Based on the results from the antitubercular activity, SAR for the synthesized series has been developed. The active compounds from the anti-tubercular study were further tested for anti-proliferative activity against THP-1, A549 and PANC-1 cell lines using MTT assay and showed no significant cytotoxic activity against these three cell lines except THP-1 at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antioxidant activities with an IC50 range of 10.1-37.3 mu g mL(-1). The molecular docking study of the synthesized compounds was performed against the DprE1 enzyme of MTB to understand the binding interactions. Moreover, the synthesized compounds were also analysed for ADME properties and all the experimental results promote us to consider this series as a starting point for the development of novel and more potent anti-tubercular agents in the future.
}, issn = {2040-2503}, doi = {10.1039/c5md00057b}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Nawale, Laxman and Sarkar, Dhiman and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Shingate, Bapurao B.} } @article { ISI:000355001000007, title = {3D Hetero-architecture of GdB6 nanoparticles on lessened cubic Cu2O nanowires: enhanced field emission behaviour}, journal = {CrystEngComm}, volume = {17}, number = {21}, year = {2015}, month = {MAR}, pages = {3936-3944}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The field emission properties (FE) of a heteroarchitecture comprised of gadolinium hexaboride nanoparticles uniformly decorated over Cu2O nanoneedles (GdB6/Cu2O) have been investigated at the base pressure of similar to 1 x 10(-8) mbar. Under the optimized pulsed laser deposition (PLD), a well-adhered coating of GdB6 nanoparticles on chemically synthesized cuprous oxide (Cu2O) nanoneedles has been obtained. A plausible growth mechanism of the hierarchical assembly of GdB6 nanoparticles on the Cu2O nanoneedles is explained on the basis of structural analysis carried out using SEM and TEM. A low turn-on field of similar to 2.3 V mu m(-1) (to draw an emission current density similar to 1 mu A cm(-2)) is observed along with stable emission current at the preset value of similar to 2 mu A over 4 h. The enhanced emission behaviour of the GdB6/Cu2O heteroarchitecture, in contrast to the pristine Cu2O nanoneedles, is attributed to its high aspect ratio and low work function. The observed FE results demonstrate GdB6/Cu2O heteroarchitecture as a potential candidate for application in various vacuum nano/microelectronic devices.
}, issn = {1466-8033}, doi = {10.1039/c4ce02530j}, author = {Suryawanshi, Sachin R. and Singh, Anil K. and Deo, Meenal S. and Late, Dattatray J. and Sinha, Sucharita and More, Mahendra A.} } @article { ISI:000353177000029, title = {3D polyaniline porous layer anchored pillared graphene sheets: enhanced interface joined with high conductivity for better charge storage applications}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {14}, year = {2015}, month = {APR}, pages = {7661-7669}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Here, we report synthesis of a 3-dimensional (3D) porous polyaniline (PANI) anchored on pillared graphene (G-PANI-PA) as an efficient charge storage material for supercapacitor applications. Benzoic acid (BA) anchored graphene, having spatially separated graphene layers (G-Bz-COOH), was used as a structure controlling support whereas 3D PANI growth has been achieved by a simple chemical oxidation of aniline in the presence of phytic acid (PA). The BA groups on G-Bz-COOH play a critical role in preventing the restacking of graphene to achieve a high surface area of 472 m(2)/g compared to reduced graphene oxide (RGO, 290 m(2)/g). The carboxylic acid (-COOH) group controls the rate of polymerization to achieve a compact polymer structure with micropores whereas the chelating nature of PA plays a crucial role to achieve the 3D growth pattern of PANI. This type of controlled interplay helps G-PANI-PA to achieve a high conductivity of 3.74 S/cm all the while maintaining a high surface area of 330 m(2)/g compared to PANI-PA (0.4 S/cm and 60 m(2)/g). G-PANI-PA thus conceives the characteristics required for facile charge mobility during fast charge-discharge cycles, which results in a high specific capacitance of 652 F/g for the composite. Owing to the high surface area along with high conductivity, G-PANI-PA displays a stable specific capacitance of 547 F/g even with a high mass loading of 3 mg/cm(2), an enhanced areal capacitance of 1.52 F/cm(2), and a volumetric capacitance of 122 F/cm(3). The reduced charge-transfer resistance (RCT) of 0.67 O displayed by G-PANI-PA compared to pure PANI (0.79 O) stands out as valid evidence of the improved charge mobility achieved by the system by growing the 3D PANI layer along the spatially separated layers of the graphene sheets. The low RCT helps the system to display capacitance retention as high as 65\% even under a high current dragging condition of 10 A/g. High charge/discharge rates and good cycling stability are the other highlights of the supercapacitor system derived from this composite material.
}, keywords = {durability, ionic accessibility, phytic acid, pillaring, polyaniline, restacking}, issn = {1944-8244}, doi = {10.1021/acsami.5b00504}, author = {Sekar, Pandiaraj and Anothumakkool, Bihag and Kurungot, Sreekumar} } @article { ISI:000357587500004, title = {Abiotic stress induces change in cinnamoyl CoA reductase (CCR) protein abundance and lignin deposition in developing seedlings of Leucaena leucocephala}, journal = {Physiology and Molecular Biology of Plants}, volume = {21}, number = {2}, year = {2015}, month = {APR}, pages = {197-205}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Aboitic stress such as drought and salinity are class of major threats, which plants undergo through their lifetime. Lignin deposition is one of the responses to such abiotic stresses. The gene encoding Cinnamoyl CoA Reductase (CCR) is a key gene for lignin biosynthesis, which has been shown to be over-expressed under stress conditions. In the present study, developing seedlings of Leucaena leucocephala (Vernacular name: Subabul, White popinac) were treated with 1 \% mannitol and 200 mM NaCl to mimic drought and salinity stress conditions, respectively. Enzyme linked immunosorbant assay (ELISA) based expression pattern of CCR protein was monitored coupled with Phlorogucinol/HCl activity staining of lignin in transverse sections of developing L. leucocephala seedlings under stress. Our result suggests a differential lignification pattern in developing root and stem under stress conditions. Increase in lignification was observed in mannitol treated stems and corresponding CCR protein accumulation was also higher than control and salt stress treated samples. On the contrary CCR protein was lower in NaCl treated stems and corresponding lignin deposition was also low. Developing root tissue showed a high level of CCR content and lignin deposition than stem samples under all conditions tested. Overall result suggested that lignin accumulation was not affected much in case of developing root however developing stems were significantly affected under drought and salinity stress condition.
}, issn = {0971-5894}, doi = {10.1007/s12298-015-0289-z}, author = {Srivastava, Sameer and Vishwakarma, Rishi K. and Arafat, Yasir Ali and Gupta, Sushim K. and Khan, Bashir Mohammad} } @article { ISI:000348357400007, title = {Acid stability of the kinetically stable alkaline serine protease possessing polyproline II fold}, journal = {Protein Journal}, volume = {34}, number = {1}, year = {2015}, month = {FEB}, pages = {60-67}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The kinetically stable alkaline serine protease from Nocardiopsis sp.; NprotI, possessing polyproline II fold (PPII) was characterized for its pH stability using proteolytic assay, fluorescence and Circular Dichroism (CD) spectroscopy, and Differential Scanning Calorimetry (DSC). NprotI was found to be functionally stable when incubated at pH 1.0, even after 24 h, while after incubation at pH 10.0, drastic loss in the activity was observed. The enzyme showed enhanced activity after incubation at pH 1.0 and 3.0, at higher temperature (50-60 A degrees C). NprotI maintained the overall PPII fold in broad pH range as seen using far UV CD spectroscopy. The PPII fold of NprotI incubated at pH 1.0 remained fairly intact up to 70 A degrees C. Based on the isodichroic point and T-m values revealed by secondary structural transitions, different modes of thermal denaturation at pH 1.0, 5.0 and 10.0 were observed. DSC studies of NprotI incubated at acidic pH (pH 1.0-5.0) showed T-m values in the range of 74-76 A degrees C while significant decrease in T-m (63.8 A degrees C) was observed at pH 10.0. NprotI could be chemically denatured at pH 5.0 (stability pH) only with guanidine thiocynate. NprotI can be classified as type III protein among the three acid denatured states. Acid tolerant and thermostable NprotI can serve as a potential candidate for biotechnological applications.
}, keywords = {Acid stability, DSC, Kinetic stability, Polyproline fold, Protease, Thermal unfolding}, issn = {1572-3887}, doi = {10.1007/s10930-014-9597-3}, author = {Rohamare, Sonali and Javdekar, Vaishali and Dalal, Sayli A. and Nareddy, Pavan Kumar and Swamy, Musti J. and Gaikwad, Sushama M.} } @article { ISI:000354505100017, title = {Activation by pretreatment of Ag-Au/Al2O3 bimetallic catalyst to improve low temperature HC-SCR of NOx for lean burn engine exhaust}, journal = {Applied Catalysis B-Environmental}, volume = {174}, year = {2015}, month = {SEP}, pages = {145-156}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Bimetallic Ag-Au/Al2O3 catalyst was synthesised by successive impregnation of 1\% Au and 1\% Ag on in-house prepared high surface area alumina (450 m(2)/g). The corresponding monometallic catalysts were also prepared by loading 1\% Ag or 1\% Au on the same high surface area alumina for comparison. The catalysts were characterised by various physico-chemical techniques and tested for SCR activity under lean burn engine exhaust conditions. Ag-Au/Al2O3 catalyst prepared by successive impregnation method showed considerably higher NO reduction (100\%) to N-2 compared to 1\% Au/Al2O3 (70\%) whereas the activity was comparable with that of 1\% Ag/Al2O3 (96\%). The effect of various pretreatments on SCR activity of Ag-Au/Al2O3 was studied and pretreatment at 250 degrees C in flow of hydrogen was found to give the best results with 100\% NO conversion to N-2 at 353 degrees C. Further ageing of the catalyst under reaction feed at 500 degrees C resulted in considerable increase in low temperature activity of bimetallic catalyst with similar to 40\% NO conversion at 222 degrees C. Even though the SCR activity of pretreated Ag-Au/Al2O3 and Ag/Al2O3 were comparable, after ageing the Ag-Au/Al2O3 showed significantly higher NO conversion (95\%) compared to Ag/Al2O3 (83\%) and Au/Al2O3 (70\%). The formation of H-2 and CO due to steam reforming of higher hydrocarbon (decane) was evidenced at the temperature of highest deNO(x) activity. Detailed investigation of the textural properties of the pretreated and aged catalysts showed presence of well dispersed metallic Au and Ag-n(delta+) clusters after pretreatment in hydrogen at 250 degrees C. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Ag-Au bimetallic catalyst, Catalyst ageing, dispersion, Low temperature HC-SCR, Steam reforming}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2015.02.035}, author = {More, Pavan M. and Nguyen, Duy L. and Granger, Pascal and Dujardin, Christophe and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000352488300022, title = {Activity enhancement upon the incorporation of titanium: au@ti-sio2 core-shell nanocatalysts for the CO oxidation reaction}, journal = {ChemCatChem}, volume = {7}, number = {7}, year = {2015}, month = {APR}, pages = {1222-1230}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The encapsulation of gold nanoparticles 8-12nm in size within a porous Ti-SiO2 shell to form a core-shell nanoarchitecture was investigated, and the catalytic activity of the resulting structure was probed. Detailed characterization of the synthesized materials shows that the core-shell morphology is lost beyond a certain amount of incorporated titanium, and results in normal gold-supported Ti-SiO2. The material has a high surface area (913m(2)g(-1)) and high porosity, both of which make it an excellent choice for catalytic applications. With the optimum amount of incorporated Ti, the core-shell catalyst shows excellent room-temperature CO oxidation activity over several cycles with retention of its morphology at higher temperatures.
}, keywords = {core-shell structures, gold nanoparticles, Oxidation, Ti-SiO2}, issn = {1867-3880}, doi = {10.1002/cctc.201402954}, author = {Sekhar, Anandakumari C. Sunil and Kottavarithottil Ziyad and Soni, Yogita and Vinod, Chathakudath P.} } @book {43005, title = {Advances and recent applications in LC-MS and HPLC}, year = {2015}, pages = {94}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {
Advances and Recent Applications in LC-MS and HPLC presents the most recent developments in liquid chromatography and mass spectrometry techniques. The book{\textquoteright}s content reaches across a range of disciplines and cites several case studies to effectively capture the advanced applications that make LC-MS and HPLC multifunctional and exacting techniques. Liquid chromatography and mass spectrometry systems generate chromatograms of column peaks and can provide molecular weights of separated materials and their solvent complexes. However, while these systems can provide structural information to confirm the identity of the compounds separated, the process is very expensive. This book provides identification of simple compounds resulting from fragmentation studies and their subsequent results, offering the reader access to information unavailable elsewhere and allowing researchers to avoid incurring the costs associated with obtaining the hands-on results that LC-MS systems generate. Applicable to chemical analysis, bioanalysis, and medicinal chemistry, as well as pharmaceutical science, synthetic chemistry, and industrial chemistry, Advances and Recent Applications in LC-MS and HPLC is a multidisciplinary reference that arms scientists with the latest research. Detailed case studies enable researchers to make the book{\textquoteright}s concepts immediately implementable.
}, author = {Azharuddin, Quazi Syed and Mahajan, Devidas T. and Masand, Vijay H. and Alafeefy, Ahmed M. and Gajbhiye, Jayant M. and El-Sayed, Nahed Nasser Eid and Wajid, Abdul and Mohammad, Noor} } @article {42933, title = {Advances in molecular quantum chemistry contained in the Q-Chem 4 program package}, journal = {Molecular Physics}, volume = {113}, year = {2015}, month = {JAN}, pages = {184-215}, abstract = {
A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided, covering approximately the last seven years. These include developments in density functional theory methods and algorithms, nuclear magnetic resonance (NMR) property evaluation, coupled cluster and perturbation theories, methods for electronically excited and open-shell species, tools for treating extended environments, algorithms for walking on potential surfaces, analysis tools, energy and electron transfer modelling, parallel computing capabilities, and graphical user interfaces. In addition, a selection of example case studies that illustrate these capabilities is given. These include extensive benchmarks of the comparative accuracy of modern density functionals for bonded and non-bonded interactions, tests of attenuated second order Moller-Plesset (MP2) methods for intermolecular interactions, a variety of parallel performance benchmarks, and tests of the accuracy of implicit solvation models. Some specific chemical examples include calculations on the strongly correlated Cr-2 dimer, exploring zeolite-catalysed ethane dehydrogenation, energy decomposition analysis of a charged ter-molecular complex arising from glycerol photoionisation, and natural transition orbitals for a Frenkel exciton state in a nine-unit model of a self-assembling nanotube.
}, author = {Shao, Yihan and Gan, Zhengting and Epifanovsky, Evgeny and Gilbert, Andrew T. B. and Wormit, Michael and Kussmann, Joerg and Lange, Adrian W. and Behn, Andrew and Deng, Jia and Feng, Xintian and Ghosh, Debashree} } @article { ISI:000363982300002, title = {Agriproteomics of bread wheat: comparative proteomics and network analyses of grain size variation}, journal = {OMICS-A Journal Of Integrative Biology}, volume = {19}, number = {7}, year = {2015}, month = {JUL}, pages = {372-382}, publisher = {MARY ANN LIEBERT, INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {
Agriproteomics signifies the merging of agriculture research and proteomics systems science and is impacting plant research and societal development. Wheat is a frequently consumed foodstuff, has highly variable grain size that in effect contributes to wheat grain yield and the end-product quality. Very limited information is available on molecular basis of grain size due to complex multifactorial nature of this trait. Here, using liquid chromatography-mass spectrometry, we investigated the proteomics profiles from grains of wheat genotypes, Rye selection 111 (RS111) and Chinese spring (CS), which differ in their size. Significant differences in protein expression were found, including 33 proteins uniquely present in RS111 and 32 only in CS, while 54 proteins were expressed from both genotypes. Among differentially expressed proteins, 22 were upregulated, while 21 proteins were downregulated in RS111 compared to CS. Functional classification revealed their role in energy metabolism, seed storage, stress tolerance and transcription. Further, protein interactive network analysis was performed to predict the targets of identified proteins. Significantly different interactions patterns were observed between these genotypes with detection of proteins such as Cyp450, Sus2, and WRKY that could potentially affect seed size. The present study illustrates the potentials of agriproteomics as a veritable new frontier of plant omics research.
}, issn = {1536-2310}, doi = {10.1089/omi.2015.0040}, author = {Dawkar, Vishal V. and Dholakia, Bhushan B. and Gupta, Vidya S.} } @article { ISI:000362588700016, title = {Alumina-supported copper iodide: an efficient and recyclable catalyst for microwave-assisted synthesis of 1,4-disubstituted 1,2,3-triazoles via three-component reaction in water}, journal = {Asian Journal of Organic Chemistry}, volume = {4}, number = {9}, year = {2015}, month = {SEP}, pages = {943-951}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
A one-pot procedure for the synthesis of 1,4-disubstituted 1,2,3-triazoles by a three-component reaction of allyl or benzyl halides, sodium azide, and terminal alkynes over a neutral alumina-supported copper iodide catalyst has been developed. The products were isolated by simple filtration followed by washing of the catalyst with acetone. The products were obtained in almost pure form in up to 98\% yield (TON 495). The catalyst can be recycled for more than eight subsequent reactions. The halides are directly converted into triazoles via in situ formation of azides and thus handling of hazardous azides can be avoided. The broad scope of this protocol is shown by the synthesis of a variety of diversely substituted 1,2,3-triazoles and also two-component azide-alkyne click reaction. The key features of this procedure are the use of water as a solvent, recyclability of the catalyst up to eight runs without appreciable loss of activity, and high yields of products. The catalyst has been fully characterized by FTIR, solid-state NMR and EDX spectroscopy, ESEM, TGA, and XRD.
}, keywords = {1, 2, 3-triazoles, 4, copper(I) iodide, Cycloaddition, disubstituted 1, Microwave chemistry, supported catalysts}, issn = {2193-5807}, doi = {10.1002/ajoc.201500189}, author = {Agalave, Sandip G. and Pharande, Shrikant G. and Gade, Swapna M. and Pore, Vandana S.} } @article { ISI:000362948200004, title = {Ambient temperature photocopolymerization of tetrahydrofurfuryl methacrylate and isobornyl methacrylate: reactivity ratios and thermal studies}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {52}, number = {12}, year = {2015}, month = {DEC}, pages = {982-991}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
Photocopolymerization of heterocyclic monomer namely, tetrahydrofurfuryl methacrylate with bulky bicyclic monomer, isobornyl methacrylate with different feed ratios was carried out in bulk with low concentration of an -hydroxyl ketone based photoinitiator. The ambient temperature photocopolymerization was carried out by using a UV-Visible lamp with fixed low intensity of 0.4mW cm(-2) for a period of 6min. The residual monomer remained in the polymerization process were determined by using gas chromatography. The reactivity ratio values for the two monomers were calculated from the copolymer composition data by using Fineman-Ross, Kelen-Tudos, Extended Kelen-Tudos and Mao-Huglin methods. Individually, as well as the average of all the methods revealed that the monomer reactivity ratios of tetrahydrofurfuryl methacrylate were higher than isobornyl methacrylate. The dyad sequence distribution and dyad sequence lengths were calculated using the Igarashi and Pyun method and the sequence length distribution for tetrahydrofurfuryl methacrylate was observed to be higher with an increase in its feed content. This supports the reactivity ratio studies that a higher monomer reactivity ratio value for tetrahydrofurfuryl methacrylate was observed as compared to its comonomer. The thermal studies showed that the glass transition temperatures of the copolymers increased with an increase in isobornyl methacrylate content.
}, keywords = {Copolymer, methacrylates, micro structure, photocopolymerization, reactivity ratios, thermal studies}, issn = {1060-1325}, doi = {10.1080/10601325.2015.1095600}, author = {Rajdeo, K. S. and Ponrathnam, S. and Pardeshi, S. and Chavan, Nayaku and Bhongale, Sunil Sitaram and Harikrishna, Reghunathan} } @article { ISI:000365952200050, title = {Ammonium persulfate activated DMSO as a one-carbon synthon for the synthesis of methylenebisamides and other applications}, journal = {RSC Advances}, volume = {5}, number = {123}, year = {2015}, month = {NOV}, pages = {101641-101646}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Activation of DMSO to work as an economical and environmentally benign one-carbon synthon has been achieved by using a bench-top reagent ammonium persulfate for general and efficient access to symmetrical methylenebisamides from primary amides. This methodology was used to achieve a three-component Mannich reaction using acetophenone, saccharin and DMSO to furnish a beta-amino ketone. It also provided a metal-free synthesis of thiadiazole and bis(phenyl)methane. Effectively, this method uses DMSO as a safer surrogate to formaldehyde. A mechanism for methylenebisamide formation involving radical intermediates has been proposed based on mechanistic studies.
}, issn = {2046-2069}, doi = {10.1039/c5ra21801b}, author = {Mahajan, Pankaj S. and Tanpure, Subhash D. and More, Namita A. and Gajbhiye, Jayant M. and Mhaske, Santosh B.} } @article {42558, title = {Analysis of genetic variability in Aquilaria malaccensis from Bramhaputra valley, Assam, India using ISSR markers}, journal = {Flora}, volume = {217}, year = {2015}, month = {NOV}, pages = {24-32}, doi = {10.1016/j.flora.2015.09.007}, author = {Banu, Sofia and Baruah, Darshana and Bhagwat, Rasika M. and Sarkar, Purabi and Bhowmick, Ananya and Kadoo, Narendra Y.} } @article {43003, title = {Analysis of pantaprazole na monohydrate and sesquihydrate by powder x-ray diffraction (PXRD)}, journal = {Journal of Medicinal Chemistry and Drug Discovery}, year = {2015}, month = {JAN}, pages = {320 - 323}, abstract = {
Pantaprazole Na monohydrate and sesquihydrate were characterized by PXRD.significant difference in the diffraction patterns of Pantaprazole Na hydrates. The sesquihydrate contains all the diffraction peaks of monohydrate in addition to peaks.
}, author = {Mahajan, Devidas T. and Mohmad, Noor and Raut, D. M. and Gajbhiye, Jayant M.} } @article {43075, title = {Analytical and bioanalytical UHPLC-MS method validation for determination of metformin, a bigunaide and sitagliptin, a DPP-4 inhibitor}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {6}, year = {2015}, month = {MAY}, pages = {1000-1008}, doi = {10.13040/IJPSR.0975-8232.6(5).1907-14}, author = {Nakrani, Mital and Bairagee, Deepika and Goyal, Pradeep and Santhakumari, B.} } @article {42978, title = {Analyzing different acetyl co-a metabolizing enzymes as potential drug targets against mycobacterium tuberculosis}, journal = {British Microbiology Research Journal}, volume = {10}, year = {2015}, month = {SEP}, pages = {1-15}, abstract = {
Mycobacterium tuberculosis, the causative agent of tuberculosis, is responsible for the deaths of million people around the globe. The scenario is worse than ever due to the emergence of drug resistant strains which are widely spread throughout the globe in much faster ways. To control this worst situation, we need to speed up the search for novel drugs which can specifically kill drug resistant bacteria in collaborative ways amongst academic, clinician and industry. Among different metabolic pathways, fatty acid synthesis pathway has always been a very attractive area for the drug target because of its crucial role during the infection and further in long term survival of pathogen inside the human host. In this review article, we analyzed the role of important and crucial enzymes, which are responsible for the influx and efflux of acetyl co-A substrate, a central hub of metabolites, as potential drug targets against M. tuberculosis.
}, doi = {10.9734/BMRJ/2015/19032}, author = {Akhtar, Shamim and Singh, Sheetal and Kumar, Santosh and Sarkar, Dhiman} } @article { ISI:000355856200035, title = {Antibacterial non-woven nanofibers of curcumin acrylate oligomers}, journal = {New Journal of Chemistry}, volume = {39}, number = {6}, year = {2015}, month = {MAR}, pages = {4464-4470}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Two new (meth) acrylate monomers, namely, 4-((1E,6E)-7-(4{\textquoteright}-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl)-2-m ethoxyphenyl acrylate or curcumin monoacrylate (CmA) and 4-((1E, 6E)-7-(4{\textquoteright}-hydroxy-3-methoxyphenyl)- 3,5-dioxohepta-1,6-dienyl)-2-methoxyphenyl methacrylate or curcumin monomethacrylate (CmMA), are synthesized by reacting (1E, 6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione (curcumin) with acryloyl chloride and methacryloyl chloride, respectively. The respective derivatives are polymerized by free radical polymerization using an initiator, 2,2-azobisisobutyrontrile (AIBN), to obtain the oligomer of curcumin monoacrylate (OCM) and the oligomer of curcumin monomethacrylate (OCMA). The oligomers are characterized by FTIR, H-1 NMR and UV-vis spectroscopy. The molecular weights of the oligomers are determined by GPC to range between 2000 and 5500 Da. The melting temperature (T-m) and degradation temperature of the respective oligomers are evaluated by thermal analysis. The melting temperature of the oligomers ranged from 195 to 197 degrees C. Antibacterial studies are evaluated against Staphylococcus aureus, in which the minimum inhibitory concentration (MIC) of OCA1 is 27 mg mL(-1). The blends of the individual oligomers with poly(lactic acid) are electrospun to obtain the respective non-woven nanofiber mats. Nanofibers are formed, with the diameter ranging from 400 to 750 nm, and the nanofiber mats are porous. Because the nanofiber mats are antibacterial and highly porous, they may have potential application as a wound dressing material for tissue regeneration.
}, issn = {1144-0546}, doi = {10.1039/c4nj01936a}, author = {Killi, Naresh and Paul, Vejendla Luke and Gundloori, Rathna Venkata Naga} } @article { ISI:000359537000086, title = {Antibiofilm activity of tert-BuOH functionalized ionic liquids with methylsulfonate counteranions}, journal = {RSC Advances}, volume = {5}, number = {83}, year = {2015}, month = {AUG}, pages = {68136-68142}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A series of varying alkyl chain length substituted tert-BuOH-functionalized-imidazolium mesylate salts [alkyl-(t)OHim][OMs] were synthesized and evaluated for antimicrobial activity and antibiofilm potential on selected pathogenic microorganisms including bacteria (Gram positive and Gram negative), yeast, and fungi. The dodecyl substituted ionic liquid [C-12-(t)OHim][OMs] significantly prevented the biofilm formation of S. epidermidis at 100 mu M concentration as well as showed noteworthy antimicrobial activity. We conclude that the ionic liquids (ILs) bearing chain lengths lower than the dodecyl length were found to be less effective against most of the tested pathogenic microorganisms.
}, issn = {2046-2069}, doi = {10.1039/c5ra12854d}, author = {Navale, Govinda R. and Dharne, Mahesh S. and Shinde, Sandip S.} } @article { ISI:000359850300008, title = {Antimicrobial activity of plant extracts against sexually transmitted pathogens}, journal = {Natural Product Research}, volume = {29}, number = {16}, year = {2015}, month = {AUG}, pages = {1562-1566}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Comprehensive management of sexually transmitted infections (STIs) using vaginal or rectal microbicide-based intervention is one of the strategies for prevention of HIV infection. Herbal products have been used for treating STIs traditionally. Herein, we present in vitro activity of 10 plant extracts and their 34 fractions against three sexually transmitted/reproductive tract pathogens - Neisseria gonorrhoeae, Haemophilus ducreyi and Candida albicans. The plant parts were selected; the extracts/fractions were prepared and screened by disc diffusion method. The minimum inhibitory and minimum cidal concentrations were determined. The qualitative phytochemical analysis of selected extracts/fractions showing activity was performed. Of the extracts/fractions tested, three inhibited C. albicans, ten inhibited N. gonorrhoeae and five inhibited H. ducreyi growth. Our study demonstrated that Terminalia paniculata Roth. extracts/fractions inhibited growth of all three organisms. The ethyl acetate fraction of Syzygium cumini Linn. and Bridelia retusa (L.) Spreng. extracts was found to inhibit N. gonorrhoeae at lowest concentrations.
}, keywords = {anti-STI activity, Candida albicans, fractions, Haemophilus ducreyi, microbicide, Neisseria gonorrhoeae, plant extracts}, issn = {1478-6419}, doi = {10.1080/14786419.2014.983919}, author = {Jadhav, Nutan and Kulkarni, Sangeeta and Mane, Arati and Kulkarni, Roshan and Palshetker, Aparna and Singh, Kamalinder and Joshi, Swati P. and Risbud, Arun and Kulkarni, Smita} } @article {42987, title = {Antimycobacterium activity of coumarins from fruit pulp of aegle marmelos (L.) correa}, journal = {International Journal of Basic and Applied Chemical Sciences}, volume = {5}, year = {2015}, month = {JUL}, pages = {39-44}, abstract = {
Phytochemical investigation of n-butanol fraction of acetone extract of Aegle marmelos fruit has afforded four compounds coumarins marmelosin (1), marmin (2) and xanthotoxol (3) and flavonoid kaempferol 3- O-rhamnoside, afzelin (4). All the isolated compounds were evaluated for their antimycobacterium activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis. Compounds 1 and 2 exhibited antimycobacterium activity against M. tuberculosis H37Ra with an IC50 12.46 {\textmu}g/mL and 4.31 {\textmu}g/mL respectively whereas, at 100 {\textmu}g/mL, 62.5\% and 82.4\% growth inhibition of M. bovis was observed respectively. Compounds 1 and 2 were also evaluated against two gram positive bacteria Staphylococcus aureus, Bacillus subtilis and one gram negative bacteria Escherichia coli. Compound 1 at 100 {\textmu}g/mL, showed growth inhibition, 64.6\% and 74.9\% of E. coli and B. subtilis respectively.
}, author = {Chinchansure, Ashish A. and Shamnani, Neelam and Arkile, Manisha A. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000355131800061, title = {Approach to modulate the sensing range of molecular transducers}, journal = {Sensors and Actuators B-Chemical}, volume = {216}, year = {2015}, month = {SEP}, pages = {461-466}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Transduction occurs upon binding of an analyte with a transducer. Specific binding involves the design and synthesis of receptors that is non trivial. Indeed, the task of designing a receptor for the smallest anion fluoride is very challenging. Herein, we take advantage of the basicity of fluoride ions that has affinity toward acidic proton. A commercially available 6-bromoisatin can sense fluoride ion in the concentration range of 0.5-3.9 ppm. Although the sensor is reaction based, the response is rapid. To further increase the linear range, dibromoisoindigo was synthesized. The linear range of this transducer was found to be between 0.5 ppm and 10.4 ppm. The transducer can be regenerated by adding proton source such as trifluoroacetic acid. Thus, transducers with variable sensing range have been designed and synthesized using acid base interaction. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Acidic proton, Basicity, Fluoride ion, Reversible sensor, Transducers}, issn = {0925-4005}, doi = {10.1016/j.snb.2015.04.061}, author = {Jain, Bhanprakash and Dharmapurikar, Satej S.} } @article { ISI:000362291300048, title = {Architecturally designed Pt-MoS2 and Pt-graphene composites for electrocatalytic methanol oxidation}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {39}, year = {2015}, month = {SEP}, pages = {26101-26110}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Thin films consisting of platinum nanoparticles (Pt NPs) with uniform size and distribution have been successfully prepared at a liquid-liquid interface. Apart from the usual substrates like glass, Si etc. the films were also deposited on the surfaces of MoS2 thin films and graphene nanosheets (GNS) respectively, by using a layer-by-layer (LbL) deposition technique to form Pt-MoS2 and Pt-GNS composites. The loading concentration of Pt NPs on MoS2 and GNS can be adjusted by selecting the number and sequence of the component layers during LbL deposition. The Pt thin films, Pt-MoS2 and Pt-GNS nanocomposite thin films are characterized using transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), energy dispersive X-ray spectrometry (EDS), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). TEM results of the composites show that Pt NPs with sizes in the range of 1 to 3 nm are uniformly dispersed on the MoS2/GNS surface. The catalytic activities of Pt and Pt-composites for the reaction of methanol oxidation are studied using cyclic voltammetry and chronoamperometry. Electrochemical studies reveal that both the Pt-MoS2 and Pt-GNS nanocomposites show excellent electrocatalytic activity towards methanol oxidation. Pt-MoS2 and Pt-GNS nanocomposite electrodes show excellent stability for reuse of the catalyst. A probable mechanism of catalysis has been discussed. We propose that the similar architecture reported here would be promising for the synthesis of high performance catalysts for fuel cells, gas phase reactions, and other applications such as sensors.
}, issn = {1463-9076}, doi = {10.1039/c5cp04141d}, author = {Patit, Sagar H. and Anothumakkool, Bihag and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article { ISI:000364265500015, title = {Arsenic detection in water: YPO4:Eu3+ nanoparticles}, journal = {Journal of Solid State Chemistry}, volume = {232}, year = {2015}, month = {DEC}, pages = {83-90}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
This work reports on the novel technique of detection of arsenic in aqueous solution utilising the luminescence properties of lanthanide doped nanomaterials. Eu3+ (5\%) doped YPO(4)nanorodswere utilised for the said experiment. Co-precipitation method was used for the synthesis of the materials and characterised them with different instrumental techniques like X-ray diffraction (XRD), Infra-red (IR), UV-absorption, scanning electron microscope (SEM), transmission electron microscope (TEM), X-ray photoelectron spectroscopy (XPS) and photoluminescence studies. This nanoparticle can adsorb both arsenic and arsenious acids. We studied the effect of arsenic adsorption on the luminescence behaviour of the nanoparticles. Arsenic acid enhanced the luminescence intensity whereas arsenious acid quenched the luminescence. This luminescence enhancement or quenching is related with arsenic concentration. This relation of luminescence property with concentration of arsenic can be used to detect arsenic in industrial waste. (C) 2015 Elsevier Inc. All rights reserved.
}, keywords = {Arsenic detection, Luminescence, Nanomaterials}, issn = {0022-4596}, doi = {10.1016/j.jssc.2015.09.009}, author = {Ghosh, Debasish and Luwang, Meitram Niraj} } @article { ISI:000363168200012, title = {Assessing the effect of different shapes of glyco-gold nanoparticles on bacterial adhesion and infections}, journal = {Chemical Communications}, volume = {51}, number = {86}, year = {2015}, month = {AUG}, pages = {15669-15672}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Achieving selective and sensitive carbohydrate-protein interactions (CPIs) using nanotechnology is an intriguing area of research. Here we demonstrate that the different shapes of gold nanoparticles (AuNPs) functionalized with monosaccharides tune the bacterial aggregations. The mechanism of aggregation revealed that the large number of surface interactions of rod shaped mannose-AuNPs with E. coli ORN 178 compared with spherical and star-shaped AuNPs exhibited higher avidity and sensitivity. Moreover, such sensitive binding can be used for effective inhibition of bacterial infection of cells.
}, issn = {1359-7345}, doi = {10.1039/c5cc05238f}, author = {Chaudhary, Preeti Madhukar and Sangabathuni, Sivakoti and Murthy, Raghavendra Vasudeva and Paul, Ajay and Thulasiram, Hirekodathakallu V. and Kikkeri, Raghavendra} } @article {43029, title = {Association between serum albumin and glycated hemoglobin in Asian Indian subjects}, journal = {Indian Journal of Endocrinology and Metabolism}, volume = {19}, year = {2015}, month = {JAN}, abstract = {
Protein glycation plays a significant role in diabetic complications. Glycated hemoglobin (HbA1c) is a known predictor of diabetes and its complications. Albumin, found to be profoundly glycated in diabetes, and its level could regulate plasma protein as well as hemoglobin glycation. We aimed to evaluate the association between variations in albumin level with HbA1c in the Asian Indian population. We screened data of 929 subjects who have had a simultaneous measurement of fasting plasma glucose (FPG), HbA1c and albumin levels via the same blood collection. Data were analyzed by SPSS for 610 subjects who met the study criteria. There was a significant negative correlation between HbA1c and albumin concentration (r = -0.284; P \< 0.001). Univariate analysis showed the statistically significant decrease of average HbA1c but not for fasting plasma glucose (FPG) across increasing tertiles of albumin. Stepwise multiple regression model showed a significant correlation between HbA1c and serum albumin (P \< 0.05), FPG (P \< 0.001), hemoglobin (Hb) (P \< 0.001) and serum globulin (P \< 0.05). FPG was the strongest predictor (63.4\%) of variation of HbA1c. The albumin concentration (r = -0.114) accounted for 0.3\% (P \< 0.05) of the total variance in HbA1c independent of age, body mass index, FPG, Hb, creatinine, total protein and globulin. It was also observed that HbA1c decreases with increasing albumin concentration in those having FPG between 100 to \<126 mg/dl. Serum albumin negatively correlates with HbA1c in Asian Indians independent of other variables. This study suggests that predicting diabetes and its complication based on the HbA1c needs to be further investigated in Indian subjects.
}, doi = {10.4103/2230-8210.144631}, author = {Tiwari, Shalbha and Botahle, Manish and Hasan, Imtiaz and Kulkarni, Mahesh J. and Sayyad, Mehmood G. and Basu, Rita and Basu, Ananda and Unnikrishnan A. G.} } @article { ISI:000356845000004, title = {Asymmetric transfer hydrogenation of imines in water by varying the ratio of formic acid to triethylamine}, journal = {Organic Letters}, volume = {17}, number = {12}, year = {2015}, month = {JUN}, pages = {2878-2881}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Asymmetric transfer hydrogenation (ATH) of imines has been performed with variation in formic acid (F) and triethylamine (T) molar ratios in water. The F/T ratio is shown to affect both the reduction rate and enantioselectivity, with the optimum ratio being 1.1 in the ATH of imines with the Rh-(1S,2S)-TsDPEN catalyst. Use of methanol as a cosolvent enhanced reduction activity. A variety of imine substrates have been reduced, affording high yields (94-98\%) and good to excellent enantioselectivities (89-98\%). In comparison with the common azeotropic F-T system, the reduction with 1.1/1 F/T is faster.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00889}, author = {Shende, Vaishali S. and Deshpande, Sudhindra H. and Shingote, Savita K. and Joseph, Anu and Kelkar, Ashutosh A.} } @article { ISI:000360398900018, title = {Asymmetric vinylogous michael reaction of cyclic enones with silyloxy furans}, journal = {Chemical Communications}, volume = {51}, number = {73}, year = {2015}, month = {JUL}, pages = {13941-13944}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The asymmetric vinylogous Michael reaction of cyclohexenone/medium and large cyclic enones with 2-silyloxyfuran is still a synthetic challenge. In this report, we have explored 1,4-conjugate addition of an enantioselective chiral, primary diamine catalyzed, 2-silyloxy furan to various cyclic enones and beta-substituted cyclic enones. The reaction provided syn-Michael adducts (cycloalkane connected gamma-butenolide) with good yields, diastereo and enantioselectivities. Furthermore, the synthetic potential of these syn-Michael adducts is demonstrated by 1,4-addition of nucleophiles on the butenolide substructure.
}, issn = {1359-7345}, doi = {10.1039/c5cc05617a}, author = {Jadhav, Amol P. and Rao, V. U. Bhaskara and Singh, Pradeep and Gonnade, Rajesh G. and Singh, Ravi P.} } @article { ISI:000362611300009, title = {Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain}, journal = {Journal of Molecular Biology}, volume = {427}, number = {20}, year = {2015}, month = {OCT}, pages = {3300-3315}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {
Many essential biological processes are mediated by complex molecular machines comprising multiple subunits. Knowledge on the architecture of individual subunits and their positions within the overall multimeric complex is key to understanding the molecular mechanisms of macromolecular assemblies. The anaphase-promoting complex/cyclosome (APC/C) is a large multisubunit complex that regulates cell cycle progression by ubiquitinating cell cycle proteins for proteolysis by the proteasome. The holo-complex is composed of 15 different proteins that assemble to generate a complex of 20 subunits. Here, we describe the crystal structures of Apc4 and the N-terminal domain of Apc5 (Apc5(N)). Apc4 comprises a WD40 domain split by a long alpha-helical domain, whereas Apc5(N) has an alpha-helical fold. In a separate study, we had fitted these atomic models to a 3.6-angstrom-resolution cryo-electron microscopy map of the APC/C. We describe how, in the context of the APC/C, regions of Apc4 disordered in the crystal assume order through contacts to Apc5, whereas Apc5(N) shows small conformational changes relative to its crystal structure. We discuss the complementary approaches of high-resolution electron microscopy and protein crystallography to the structure determination of subunits of multimeric complexes. (c) 2015 MRC Laboratory of Molecular Biology. Published by Elsevier Ltd.
}, keywords = {anaphase-promoting complex, cell cycle, multisubunit structure, protein crystallography, ubiquitin}, issn = {0022-2836}, doi = {10.1016/j.jmb.2015.08.023}, author = {Cronin, Nora B. and Yang, Jing and Zhang, Ziguo and Kulkarni, Kiran and Chang, Leifu and Yamano, Hiroyuki and Barford, David} } @article { ISI:000361075900005, title = {Bacillus encimensis sp nov isolated from marine sediment}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {5}, year = {2015}, month = {MAY}, pages = {1421-1425}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {
A Gram-stain-positive, rod-shaped, endospore-forming, aerobic bacterium designated SGD-V-25(T) was isolated from Veraval sediment sample, India. Strain SGD-V-25(T) was capable of growing at 25-50 degrees C (optimum 37 degrees C), pH 6-12 (optimum pH 7.0) and with 0-5 \% (w/v) NaCl. The taxonomic position of this strain was deduced using a polyphasic approach and the 16S rRNA gene sequence analysis showed that the isolate belongs to the phylum Firmicutes, forming the cluster with Bacillus badius MTCC 1548(T), with which it shares highest similarity of 99.1 \% with 13 nt differences. Other type strains of the genus Bacillus showed less than 96\% similarity. The cell wall contained meso-diaminopimelic acid as the diagnostic diamino acid. The polar lipid profile of strain SGD-V-25(T) showed the presence of diphosphatidylglycerol, phosphatidylglycerol, phsophoglycolipid and two aminophospholipids. The predominant isoprenoid quinone was MK-7. The major cellular fatty acids were iso-C-15:0, anteiso-C-15:0, anteiso-C-17:0 iso-C-16:0, C-16:1 omega 11c and C-16:0. The genomic DNA G + C content of strain SGD-V-25(T) was 37.6 molok. On the basis of phenotypic characteristics, phylogenetic analysis and DNA-DNA hybridization, strain SGD-V-25(T) could be clearly distinguished from closely related members of the genus Bacillus, and the name Bacillus encimensis sp. nov., is proposed to accommodate this strain. The type strain is SGD-V-25(T) (= NCIM 5513(T)=DSM 28241(T)).
}, issn = {1466-5026}, doi = {10.1099/ijs.0.000114}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Mual, Poonam and Verma, Ashish and Krishnamurthi, Srinivasan and Joseph, Neeta and Shouche, Yogesh S.} } @article { ISI:000348358000013, title = {Bacillus filamentosus sp nov., isolated from sediment sample}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {107}, number = {2}, year = {2015}, month = {FEB}, pages = {433-441}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A novel Gram-stain positive, endospore-forming bacterium, designated SGD-14(T), was isolated from a marine sediment sample in Goa Province, India. Cells of the isolate were found to be strictly aerobic. Phylogenetic analysis based on 16S rRNA gene sequences indicated that strain SGD-14(T) showed a similarity of 99.5 \% with Bacillus endophyticus and similarities to other Bacillus type strains were below 96 \%. The whole-cell sugar pattern was found to consist of ribose, xylose and glucose. The predominant menaquinone was identified as MK-7 and the major fatty acids as anteiso-C-15:0, iso-C-15:0, iso-C-16:0, anteiso-C-17:0, C-16:0 and iso-C-14:0. The strain was found to grow optimally at 30 A degrees C and pH 7.0-7.5. DNA G + C content was determined to be 39.6 mol\%. The phospholipid pattern was found to consist of diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine. DNA-DNA hybridization studies between strain SGD-14(T) and B. endophyticus CIP106778(T) showed that strain SGD-14(T) exhibited \< 70 \% similarity with B. endophyticus CIP106778(T). Differences in phenotypic and chemotaxonomic characteristics between the novel strain and B. endophyticus CIP106778(T) further confirmed that this isolate represents novel species. Phylogenetic analysis showed that strain SGD-14(T) fits in the same clade with B. endophyticus with 100 \% bootstrap values. Strain SGD-14(T) is therefore considered to represent a novel species of the genus Bacillus, for which the name Bacillus filamentosus sp. nov. is proposed. The type strain of Bacillus filamentosus is SGD-14(T) = (=NCIM 5491(T) = DSM 27955(T)).
}, keywords = {Bacillus, Filaments, Polyphasic, Sediment}, issn = {0003-6072}, doi = {10.1007/s10482-014-0341-y}, author = {Sonalkar, Vidya V. and Mawlankar, Rahul R. and Ramana, V. Venkata and Joseph, Neeta and Shouche, Yogesh S. and Dastager, Syed Gulam} } @article { ISI:000359166300084, title = {Bacopa monniera recombinant mevalonate diphosphate decarboxylase: biochemical characterization}, journal = {International Journal of Biological Macromolecules}, volume = {79}, year = {2015}, month = {AUG}, pages = {661-668}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Mevalonate diphosphate decarboxylase (MDD; EC 4.1.1.33) is an important enzyme in the mevalonic acid pathway catalyzing the Mg2+-ATP dependant decarboxylation of mevalonate 5-diphosphate (MVAPP) to isopentenyl diphosphate (IPP). Bacopa monniera recombinant MDD (BmMDD) protein was overexpressed in Escherichia coli BL21 (DE3) strain and purified to apparent homogeneity. K-m and V-max for MVAPP were 144 mu M and 52 U mg(-1) respectively. The values of turnover (k(cat)) and k(cat)/K-m, for mevalonate 5-diphosphate were determined to be 40 s(-1) and 2.77 x 10(5) M-1 s(-1) and k(cat) and k(cat)/K-m values for ATP were found to be 30 s(-1) and 2.20 x 10(4) M-1 s(-1), respectively. pH activity profile indicated the involvement of carboxylate ion, lysine and arginine for the activity of enzyme. The apparent activation energy for the BmMDD catalyzed reaction was 12.7 kJ mol(-1). Optimum pH and temperature for the forward reaction was found to be 8.0 and 45 degrees C. The enzyme was most stable at pH 7 at 20 degrees C with the deactivation rate constant (K-d(*)) of 1.69 x 10(-4) and half life (t(1/2)) of 68 h. The cation studies suggested that BmMDD is a cation dependant enzyme and optimum activity was achieved in the presence of Mg2+. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Mevalonate diphosphate decarboxylase, pH activity profile, Phylogenetic analysis, stability}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2015.05.041}, author = {Shakeel Abbassi and Vishwakarma, Rishi K. and Patel, Parth and Kumari, Uma and Khan, Bashir Mohammad} } @article { ISI:000348878600053, title = {Benzylation of acetic acid to benzyl acetate over highly active and reusable micro/meso-HZSM-5}, journal = {Chemical Engineering Research \& Design}, volume = {93}, year = {2015}, month = {JAN}, pages = {584-590}, publisher = {INST CHEMICAL ENGINEERS}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {
Catalytic benzylation of acetic acid (AA) with benzyl alcohol (BA) to benzyl acetate was studied over zeolites viz. H-ZSM-5 (microporous, medium pore), Micro/Meso-HZSM-5 (combination of micro- and meso pore), H-Beta (microporous, large pore) to investigate catalytic activity and selectivity towards benzyl acetate. Micro/Meso-HZSM-5 obtained by desilication post-treatment has been employed as a heterogeneous catalyst for benzylation reaction probably for the first time. Micro/Meso-HZSM-5 was found to be a promising catalyst for benzylation with AA conversion of 94\%, selectivity towards benzyl acetate of 95\%. The detailed optimization of process parameters such as molar ratio, catalyst loading, reaction temperature and time was also presented. Micro/Meso-HZSM-5 catalyst was observed to be stable for six cycles (1 fresh and 5 recycles). The first order reaction kinetics (R-2 \>0.98) indicated that reaction rate constants increased with increasing reaction temperature. The activation energy for benzylation of AA with BA over Micro/Meso-HZSM-5 was obtained to be 15.07 kJ mol(-1), which is far less than the reported. (C) 2014 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
}, keywords = {Acetic acid, Benzyl acetate, Benzyl alcohol, Benzylation, Micro/Meso-HZSM-5, Reaction kinetics}, issn = {0263-8762}, doi = {10.1016/j.cherd.2014.06.015}, author = {Nandiwale, Kakasaheb Y. and Galande, Nitish D. and Raut, Sunil A. and Bokade, Vijay V.} } @article { ISI:000353218700026, title = {Beta, gamma-Bis-substituted PNA with configurational and conformational switch: preferred binding to cDNA/RNA and cell-uptake studies}, journal = {Chemical Communications}, volume = {51}, number = {36}, year = {2015}, month = {MAR}, pages = {7693-7696}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
(S,S)- and (R,R)-beta,gamma-Bis-substituted PNAs were synthesized from the C-2 symmetric vicinal diamine system embedded in 1,4 dihydroxybutane and 1,4-dimethoxybutane scaffolds. (R,R)-beta,gamma-Bis-methoxymethyl-PNA derived from D-tartaric acid was found to be in the right configuration and conformation to be an excellent mimic of PNA, endowed with superior ability to enter into cells.
}, issn = {1359-7345}, doi = {10.1039/c5cc00891c}, author = {Bose, Tanaya and Banerjee, Anjan and Nahar, Smita and Maiti, Souvik and Kumar, Vaijayanti A.} } @article { ISI:000346060400006, title = {Beta self-association and adsorption on a hydrophobic nanosurface: competitive effects and the detection of small oligomers via electrical response}, journal = {Soft Matter}, volume = {11}, number = {2}, year = {2015}, month = {OCT}, pages = {269-279}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Treatment of Alzheimer{\textquoteright}s disease (AD) is impeded by the lack of effective early diagnostic methods. Small, soluble A beta globulomers play a major role in AD neurotoxicity, and detecting their presence in aqueous fluids could lead to suitable sensors. We evaluate the adsorption behavior of small A beta oligomers on the surface of a single walled carbon nanotube of high curvature. While the intrinsic self-assembly propensity of A beta is markedly hindered by adsorption, the oligomeric units show high degrees of surface immobilization. Immobilized complexes are capable of oligomeric growth, but with a shifted monomer-oligomer equilibrium compared to the free states. In the presence of an ionic solution and suitable external electric fields, magnitudes of the current blockades are found to be sensitive to the oligomeric number of the adsorbed complex. However, this sensitivity gradually diminishes with increasing oligomeric size. The results provide a proof-of-concept basis for further investigations in the design of sensors for detecting the toxic small oligomers of A beta.
}, issn = {1744-683X}, doi = {10.1039/c4sm01845a}, author = {Jana, Asis K. and Sengupta, Neelanjana} } @article { ISI:000345975000014, title = {Bifunctional covalent organic frameworks with two dimensional organocatalytic micropores}, journal = {Chemical Communications}, volume = {51}, number = {2}, year = {2015}, month = {NOV}, pages = {310-313}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report the successful incorporation of bifunctional (acid/base) catalytic sites in the crystalline organocatalytic porous COF (2,3-DhaTph). Due to the presence of acidic (catachol) and basic (porphyrin) sites, 2,3-DhaTph shows significant selectivity, reusability, and excellent ability to perform the cascade reaction.
}, issn = {1359-7345}, doi = {10.1039/c4cc07104b}, author = {Shinde, Digambar Balaji and Kandambeth, Sharath and Pachfule, Pradip and Kumar, Raya Rahul and Banerjee, Rahul} } @article { ISI:000348331900056, title = {Bile acid hydrazides: gelation, structural, physical and spectroscopic properties}, journal = {New Journal of Chemistry}, volume = {39}, number = {1}, year = {2015}, month = {JAN}, pages = {453-460}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Synthesis and gelation properties of a series of novel bile acid hydrazides are presented. These compounds are found to undergo self-assembly leading to organogelation in certain organic solvents. Compound 1 was found to be the most {\textquoteleft}{\textquoteleft}effective{\textquoteright}{\textquoteright} gelator in this series. The properties of this gel have been thoroughly investigated by conventional methods typical for molecular gel studies. Sol gel transition temperature (T-g) of chloroform gels of compounds 1 and 3 was found to increase with increase in the chain length. Sol-gel transition was probed using the isothermal time test and results show that there is instantaneous increase in both the moduli after shear melting, which suggests that the kinetics of formation of the network was very fast. IR and NMR studies revealed hydrogen bonding between amidic carbonyl in the side chain and hydroxyl groups of cholic acid.
}, issn = {1144-0546}, doi = {10.1039/c4nj01352b}, author = {Pore, Vandana S. and Agalave, Sandip G. and Pharande, Shrikant G. and Patil, Prashant A. and Kotmale, Amol S.} } @article { ISI:000351792800014, title = {Bioactive polymersomes self-assembled from amphiphilic.PPO-glycopolypeptides: synthesis, characterization, and dual-dye encapsulation}, journal = {Langmuir}, volume = {31}, number = {11}, year = {2015}, month = {APR}, pages = {3402-3412}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Glycopolypeptide-based polymersomes have promising applications as vehicles for targeted drug delivery because they are capable of encapsulating different pharmaceuticals of diverse polarity as well as interacting with specific cell surfaces due to their hollow structural morphology and bioactive surfaces. We have synthesized glycopolypeptide-b-poly(propylene oxide) by ROP of glyco-N-carboxyanhydride (NCA) using the hydrophobic amine-terminated poly(propylene oxide) (PPO) as the initiator. This block copolymer is composed of an FDA-approved PPO hydrophobic block in conjugation with hydrophilic glycopolypeptides which are expected to be biocompatible. We demonstrate the formation of glycopolypeptide-based polymersomes from the self-assembly of glycopolypeptide-b-poly(propylene oxide) in which the presence of an ordered helical glycopolypeptide segment is required for their self-assembly into spherical nanoscale (similar to 50 nm) polymersomes. The polymersomes were characterized in detail using a variety of techniques such as TEM, AFM, cryo-SEM, and light-scattering measurements. As a model for drugs, both hydrophobic (RBOE) and hydrophilic (calcein) dyes have been incorporated within the polymersomes from solution. To substantiate the simultaneous entrapment of the two dyes, spectrally resolved fluorescence microscopy was performed on the glycopeptide polymersomes cast on a glass substrate. We show that it is possible to visualize individual nanoscale polymersomes and effectively probe the dyes colocalization and energy-transfer behaviors therein as well as investigate the variation in dual-dye encapsulation over a large number of single polymersomes. Finally, we show that the galactose moieties present on the surface can specifically recognize lectin RCA(120), which reveals that the polymersomes surface is indeed biologically active.
}, issn = {0743-7463}, doi = {10.1021/la503993e}, author = {Das, Soumen and Sharma, Dharmendar Kumar and Chakrabarty, Suman and Chowdhury, Arindam and Sen Gupta, Sayam} } @article {45888, title = {Bioactive thermoresponsive polyblend nanofiber formulations for wound healing}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {48}, year = {2015}, month = {MAR }, pages = {126-137}, type = {Article}, abstract = {
The rationale of this work is to develop new bioactive thermoresponsive polyblend nanofiber formulations for wound healing (topical). Various polymer compositions of thermoresponsive, poly(N-isopropylacrylamide), egg albumen and poly(epsilon-caprolactone) blend solutions with and without a drug [gatifloxacin hydrochloride, Gati] were prepared. Non-woven nanofibers of various compositions were fabricated using an electrospinning technique. The morphology of the nanofibers was analyzed by an environmental scanning electron microscope. The morphology was influenced by the concentration of polymer, drug, and polymer blend composition. Fourier transform infrared spectroscopy analysis showed the shift in bands due to hydrogen ion interactions between polymers and drug. Thermogram of PNIPAM/PCL/EA with Gati recorded a shift in lower critical solution temperature (LCST) and glass transition temperature (T-g) of PNIPAM. Similarly T-g and melting temperature (T-m) of PCL were shifted. X-ray diffraction patterns recorded a decrease in the crystalline state of PCL nanofibers and transformed crystalline drug to an amorphous state. In vitro release study of nanofibers with Gati showed initial rapid release up to 10 h, followed by slow and controlled release for 696 h (29 days). Nanofiber mats with Gati exhibited antibacterial properties to Staphylococcus aureus, supported suitable controlled drug release with in vitro cell viability and in vivo wound healing. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Antibacterial, Cell viability, drug release, nanofibers, thermoresponsive, wound Healing}, issn = {0928-4931}, doi = {10.1016/j.msec.2014.11.037}, author = {Pawar, Mahesh D. and Rathna, G. V. N. and Agrawal, Shubhang and Kuchekar, Bhanudas S.} } @article { ISI:000346189100055, title = {Biocatalyst development for lactic acid production at acidic pH using inter-generic protoplast fusion}, journal = {RSC Advances}, volume = {5}, number = {3}, year = {2015}, month = {DEC}, pages = {2024-2031}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Global warming and environmental problems force us to develop sustainable processes based on the use of biocatalysts that are eco-friendly with the least potential toxicity. Lactic acid fermentation at neutral pH generates a large amount of gypsum during down-stream processing. Hence it is essential to develop Lactobacillus strains which produce lactic acid at acidic pH thus making the whole downstream process environmentally friendly. Fusant F3 was generated using protoplast fusion between Lactobacillus delbrueckii Mut Uc-3 and Acetobacter pasteurianus NCIM 2314 on solid media at pH 4.0. Fusant F3 was further treated by UV irradiation to generate a mutant, FM1, with improvements in acid tolerance which produced five-fold more lactic acid than the parent strain at acidic pH. The molecular studies using RAPD markers demonstrated that the fusant is derived from both the parental strains, Acetobacter and Lactobacillus and the mutant is derived from the fusant. The utilization of such acid tolerant strains could be able to produce free lactic acid at acidic pH without using neutralizing agents and will offer an effective means for designing environmentally benign processes for lactic acid production.
}, issn = {2046-2069}, doi = {10.1039/c4ra11104d}, author = {Singhvi, Mamata and Gurjar, Gayatri and Gupta, Vidya and Gokhale, Digambar V.} } @article { ISI:000347577900102, title = {Biochemical characterization of recombinant mevalonate kinase from Bacopa monniera}, journal = {International Journal of Biological Macromolecules}, volume = {72}, year = {2015}, month = {JAN}, pages = {776-783}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Mevalonate kinase (MK; ATP: mevalonate 5-phosphotransferase; EC 2.7.1.36) plays a key role in isoprenoid biosynthetic pathway in plants. MK catalyzes the phosphorylation of mevalonate to form mevalonate-5-phosphate. The recombinant BmMK was cloned and over-expressed in E. coli BL21 (DE3), and purified to homogeneity by affinity chromatography followed by gel filtration. Optimum pH and temperature for forward reaction was found to be 7.0 and 30 degrees C, respectively. The enzyme was most stable at pH 8 at 25 degrees C with deactivation rate constant (Kd*) 1.398 x 10(-4) and half life (t(1/2)) 49 h. pH activity profile of BmMK indicates the involvement of carboxylate ion, histidine, lysine, arginine or aspartic acid at the active site of enzyme. Activity of recombinant BmMK was confirmed by phosphorylation of RS-mevalonate in the presence of Mg2+, having K-m and V-max 331.9 mu M and 719.1 pKat mu g(-1), respectively. The values of k(cat) and k(cat)/K-m for RS-mevalonate were determined to be 143.82 s(-1) and 0.43332 M-1 s(-1) and k(cat) and k(cat)/K-m values for ATP were found 150.9 s(-1) and 1.023 M-1 s(-1). The metal ion studies suggested that BmMK is a metal dependent enzyme and highly active in the presence of MgCl2. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Bacopa monniera, Enzyme kinetics, Mevalonate kinase, stability}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2014.09.030}, author = {Kumari, Uma and Vishwakarma, Rishi K. and Sonawane, Prashant and Shakeel Abbassi and Khan, Bashir Mohammad} } @article { ISI:000359173900007, title = {Biochemical, structural and functional diversity between two digestive alpha-amylases from helicoverpa armigera}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1850}, number = {9}, year = {2015}, month = {SEP}, pages = {1719-1728}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Background: Helicoverpa armigera (Lepidoptera) feeds on various plants using diverse digestive enzymes as one of the survival tool-kit. The aim of the present study was to understand biochemical properties of recombinant alpha-amylases of H. armigera viz., HaAmy1 and HaAmy2. Methods: The open reading frames of HaAmy1 and HaAmy2 were cloned in Pichia pastoris and expressed heterologously. Purified recombinant enzymes were characterized for their biochemical and biophysical attributes using established methods. Results: Sequence alignment and homology modeling showed that HaAmy1 and HaAmy2 were conserved in their amino acid sequences and structures. HaAmy1 and HaAmy2 showed optimum activity at 60 degrees C; however, they differed in their optimum pH. Furthermore, HaAmy2 showed higher affinity for starch and amylopectin whereas HaAmy1 had higher catalytic efficiency. HaAmy1 and HaAmy2 were inhibited to the same magnitude by a synthetic amylase inhibitor (acarbose) while wheat amylase inhibitor showed about 2-fold higher inhibition of HaAmy1 than HaAmy2 at pH 7 while 6-fold difference at pH 11. Interactions of HaAmy1 and HaAmy2 with wheat amylase inhibitor revealed 2:1 stoichiometric ratio and much more complex interaction with HaAmy1. Conclusions: The diversity of amylases in perspective of their biochemical and biophysical properties, and their differential interactions with amylase inhibitors signify the potential role of these enzymes in adaptation of H. armigera on diverse plant diets. General significance: Characterization of digestive enzymes of H. armigera provides the molecular basis for the polyphagous nature and thus could assist in designing future strategies for the insect control. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {alpha-amylases, Amylase inhibitors, Digestive enzymes, Enzyme activity, Helicoverpa armigera}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2015.04.008}, author = {Bhide, Amey J. and Channale, Sonal M. and Patil, Sucheta S. and Gupta, Vidya S. and Ramasamy, Sureshkumar and Giri, Ashok P.} } @article { ISI:000362920700039, title = {Bioinspired catecholic flame retardant nanocoating for flexible polyurethane foams}, journal = {Chemistry of Materials}, volume = {27}, number = {19}, year = {2015}, month = {OCT}, pages = {6784-6790}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An efficient, environmentally friendly, and water-applied flame retardant surface nanocoating based on polydopamine (PDA) was developed for foamed materials such as polyurethane (PU). The PDA nanocoating, deposited by simple dip-coating in an aqueous dopamine solution, consists of a planar sublayer and a secondary granular layer structure that evolve together, eventually turning into a dense, uniform, and conformal layer on all foam surfaces. In contrast to flexible PU foams that are known to be highly flammable without flame retardant additives, micro combustion calorimetry (MCC) and thermogravimetric analysis (TGA) confirm that the neat PDA is relatively inflammable with a strong tendency to form carbonaceous, porous char that is highly advantageous for flame retardancy. By depositing nano coatings of PDA onto flexible PU foams, the flammability of the PU foam was significantly reduced with increasing coating thickness. For the thickest coating (3 days of PDA deposition), the foam quickly self-extinguished and its original shape was completely preserved after exposure to a flame in a torch burn test. In addition to the char forming ability of PDA, it is hypothesized that its catechol units likely scavenge nearby radicals that typically evolve additional fuel for the fire as they attack surrounding materials. This multiple flame retardancy action of PDA (i.e., char formation + radical scavenging) enables flame retardant foams with a peak heat release rate (P-HRR) that is significantly reduced (up to 67\%) relative to control foams, representing much better performance than many conventional additives reported in the literature at comparable or higher loadings.
}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b03013}, author = {Cho, Joon Hee and Vasagar, Vivek and Shanmuganathan, Kadhiravan and Jones, Amanda R. and Nazarenko, Sergei and Ellison, Christopher J.} } @article { ISI:000348987700061, title = {Biomass derived beta-cyclodextrin-SO3H as a solid acid catalyst for esterification of carboxylic acids with alcohols}, journal = {RSC Advances}, volume = {5}, number = {17}, year = {2015}, month = {JAN}, pages = {12981-12986}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel beta-cyclodextrin-SO3H carbon based solid acid catalyst was prepared in a convenient and ecofriendly manner and was characterized using FTIR, PXRD, EDAX and NH3TPD to illustrate that the carbon material has been functionalized with -SO3H, -COOH and -OH groups. The catalyst was studied for esterification of various carboxylic acids and alcohols under solvent free conditions and showed excellent catalytic performance and gave good yields of esters in the range 78-99\% at 70 degrees C. No solvent was used either for catalyst preparation nor for esterification reaction. The catalyst can be easily recovered by simple filtration and reused for subsequent three runs without any significant impact on yields of products. The main advantage of this methodology is easy and ecofriendly catalyst preparation, easy catalyst separation, practical simplicity, safe reaction conditions, recyclable catalyst and high product yields.
}, issn = {2046-2069}, doi = {10.1039/c4ra16699j}, author = {Thombal, Raju S. and Jadhav, Amol R. and Jadhav, Vrushali H.} } @article { ISI:000355242800010, title = {Biomass exploitation - a challenge finding its way to reality}, journal = {Current Science}, volume = {108}, number = {9}, year = {2015}, month = {MAY}, pages = {1593-1594}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Lignocellulosic biomass holds the key to supplying the basic needs of society for sustainable production of chemicals and fuels without impacting the human food supply. The production of second-generation biofuels and chemicals from lignocellulosic biomass has not yet been commercialized due to its complex and recalcitrance structure. Therefore, the challenges involved in the production of lignocellulosic biomass-derived fuels and chemicals must be addressed. Search for economic pretreatment methods has been recognized as one of the main hurdles for processing of biomass to biofuels and chemicals. The conversion of all biomass components, lignin in particular, would greatly contribute to the economic viability of biomass-based processes for second-generation biofuels and chemicals. Hydrolysis of lignocellulose carbohydrates into fermentable sugars requires a suitable cellulase enzyme cocktail acting on both raw as well as pretreated biomass. Depending on raw material and pretreatment technology, the enzyme mixtures must be designed to degrade biomass carbohydrates. Recent publications on GVL-pretreatment to solubilize and degrade carbohydrates in biomass and CelA enzyme acting on raw biomass would probably meet the challenges in biomass conversion technologies.
}, issn = {0011-3891}, author = {Singhvi, Mamata S. and Gokhale, Digambar V.} } @article { ISI:000346189100034, title = {Biomilling of rod-shaped ZnO nanoparticles: a potential role of saccharomyces cerevisiae extracellular proteins}, journal = {RSC Advances}, volume = {5}, number = {3}, year = {2015}, month = {NOV}, pages = {1883-1889}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
There is a tremendous interest in newly-discovered, green, room-temperature, biological routes for the fabrication of biologically-benign functional nanostructures. The bottom-up biogenic synthesis, where the precursor molecules form crystalline solids at the nanoscale by a redox process, has been validated over the years and gained its popularity. However, a new top-down technique has recently been developed by our group, in which small isotropic nanoparticles (NPs) are formed by the break-down of chemically-synthesized anisotropic rod or plate-shaped NPs using microbes (termed as biomilling). This technique, which holds great promise, is still in its infancy. Here, an improved process with an easy isolation of NPs from the biomass and better control of the technique is reported. This novel technique is demonstrated to break-down the chemically synthesized ZnO nanorods (NRs), similar to 250 nm in length, to small quasi-spherical ZnO NPs (similar to 10 nm in diameter) possibly due to the proteins secreted by the yeast (Saccharomyces cerevisiae), which also led to the formation of {\textquoteleft}{\textquoteleft} corona{\textquoteright}{\textquoteright} around the NPs. The UV-vis, PL and FTIR results show the dynamic nature of the protein corona, which is further supported by the SDS-PAGE study of the extracellular proteins. The SDS-PAGE study of the intracellular proteins shows the over-expression of a single protein which is supposed to have a role in zinc transport in the cells. The ICP-OES results show the accumulation of a higher amount of zinc in the yeast cells as biomilling progresses, while the extracellular zinc contents were almost same. Therefore, we believe that the yeast cells play an important role in the biomilling process by secreting the proteins and maintaining the zinc content in the extracellular fluid. The biomilled NPs exhibit a uniform dispersity and better aqueous stability than chemically synthesized ZnO NRs.
}, issn = {2046-2069}, doi = {10.1039/c4ra10077h}, author = {Sharan, Chandrashekhar and Khandelwal, Puneet and Poddar, Pankaj} } @article { ISI:000366878300071, title = {Biomimetic synthesis of phaitanthrin e involving a fragmentation of sp(3) carbon-carbon bond: synthesis and rearrangement of phaitanthrin D to phaitanthrin E}, journal = {Organic Letters}, volume = {17}, number = {24}, year = {2015}, month = {DEC}, pages = {6218-6221}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A biogenetic type total synthesis of alkaloids phaitanthrin D and phaitanthrin E has been described. The Csp(3)-Csp(3) bond cleavage with the release of several heteroatoms bearing unexpected leaving groups in intramolecular substitution reactions on an iminium double bond in the quinazolinones has been demonstrated using HMDS/ZnCl2 or NaHMDS. The mechanistic aspects have been supported by isolation and characterization of appropriate intermediates.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b03203}, author = {Vaidya, Sagar D. and N. P. Argade} } @article { ISI:000350841100024, title = {Biophysical characterization and molecular docking studies of imidazolium based polyelectrolytes-DNA complexes: role of hydrophobicity}, journal = {Biomacromolecules}, volume = {16}, number = {3}, year = {2015}, month = {MAR}, pages = {894-903}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Nonviral gene delivery vectors are acquiring greater attention in the field of gene therapy by replacing the biological viral vectors. DNA-cationic polymer complexes are one of the most promising systems to find application in gene therapy. Hence, a complete insight of their biophysical characterization and binding energy profile is important in understanding the mechanism involved in nonviral gene therapy. In this investigation, the interaction between calf thymus DNA (ctDNA) and imidazolium-based poly(ionic liquids) (PILs) also known as polyelectrolytes with three different alkyl side chains (ethyl, butyl, and hexyl) in physiological conditions using various spectroscopic experiments with constant DNA concentration and varying polyelectrolyte concentrations is reported. UV-visible absorption, fluorescence quenching studies, gel electrophoresis, circular dichroism (CD), and Fourier transform infrared spectroscopy (FTIR) have confirmed the binding of polyelectrolytes with DNA. UV-vis absorption measurements and fluorescence quenching revealed that the binding between DNA and the polyelectrolyte is dominated by electrostatic interactions. Additionally, CD and FTIR results indicated that the DNA retained its B-form with minor perturbation in the phosphate backbone without significant change in the conformation of its base pairs. Preference for alkyl side chains (KPIL-Ethyl Br \< KPIL-Butyl Br \< KPIL-Hexyl Br) toward efficient binding between the polyelectrolyte and DNA was inferred from the binding and quenching constants calculated from the absorption and emission spectra, respectively. Further, in silico molecular docking studies not only validated the observed binding trend but also provided insight into the binding mode of the polyelectrolyte-DNA complex.
}, issn = {1525-7797}, doi = {10.1021/bm5018029}, author = {Manojkumar, Kasina and Charan, K. T. Prabhu and Sivaramakrishna, Akella and Jha, Prakash C. and Khedkar, Vijay M. and Siva, Ramamoorthy and Jayaraman, Gurunathan and Vijayakrishna, Kari} } @article { ISI:000356735300012, title = {Bio-physical evaluation and in vivo delivery of plant proteinase inhibitor immobilized on silica nanospheres}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {130}, year = {2015}, month = {JUN}, pages = {84-92}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Recombinant expression of Capsicum annuum proteinase inhibitors (CanPI-13) and its application via synthetic carrier for the crop protection is the prime objective of our study. Herein, we explored proteinase inhibitor peptide immobilization on silica based nanospheres and rods followed by its pH mediated release in vitro and in vivo. Initial studies suggested silica nanospheres to be a suitable candidate for peptide immobilization. Furthermore, the interactions were characterized biophysically to ascertain their conformational stability and biological activity. Interestingly, bioactive peptide loading at acidic pH on nanospheres was found to be 62\% and showed 56\% of peptide release at pH 10, simulating gut milieu of the target pest Helicoverpa armigera. Additionally, in vivo study demonstrated significant reduction in insect body mass (158 mg) as compared to the control insects (265 mg) on 8th day after feeding with CanPI-13 based silica nanospheres. The study confirms that peptide immobilized silica nanosphere is capable of affecting overall growth and development of the feeding insects, which is known to hamper fecundity and fertility of the insects. Our study illustrates the utility and development of peptide-nanocarrier based platform in delivering diverse biologically active complexes specific to gut pH of H. armigera. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Biodelivery, Helicovera armigera, Protein {\textquoteleft}corona{\textquoteright}, Proteinase inhibitor, Silica nanospheres}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2015.03.060}, author = {Khandelwal, Neha and Doke, Dhananjay S. and Khandare, Jayant J. and Jawale, Priyanka V. and Biradar, Ankush V. and Giri, Ashok P.} } @article { ISI:000348102900047, title = {Biophysicochemical characterization of an alkaline protease from beauveria sp. MTCC 5184 with multiple applications}, journal = {Applied Biochemistry and Biotechnology}, volume = {175}, number = {1}, year = {2015}, month = {JAN}, pages = {589-602}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
This study illustrates the biophysicochemical properties of an alkaline protease, BAP (Beauveria sp. alkaline protease) from Beauveria sp. MTCC 5184. This protease exhibited maximum activity at 50 degrees C, pH 9.0, and stability in a broad pH range, in the presence of organic solvents, denaturants, as well as detergents. Wash performance studies revealed that BAP was able to remove blood clots/stains from blood-soaked cloth. Peptide mass fingerprinting results demonstrated partial homology of BAP with subtilisin-like proteinase. BAP showed catalytic activity against natural as well as synthetic substrates. Active site characterization of BAP confirmed the involvement of serine, tryptophan, and aspartic acid in catalytic activity. Detailed kinetic and thermodynamic studies of BAP demonstrated that the activation energy (Ea) for casein hydrolysis was 82.55 kJ/M, the specificity constant (Kcat/K-m), and the values of Delta G (change in Gibbs free energy) decreased with increase in temperature, whereas Delta H (change in enthalapy) and Delta S (change in entropy) were constant. The results of the present study indicate that BAP has potential for applications as detergent additive, in peptide synthesis, and in basic research.
}, keywords = {Active site, Alkaline Protease, Beauveria sp, Organic solvent, Substrate kinetics}, issn = {0273-2289}, doi = {10.1007/s12010-014-1314-3}, author = {Shankar, Shiv and Laxman, Ryali Seeta} } @article { ISI:000352315600048, title = {Biosynthesis of silver nanoparticles by using ganoderma-mushroom extract}, journal = {Modern Physics Letters B}, volume = {29}, number = {6-7, SI}, year = {2015}, month = {MAR}, pages = {1540047}, publisher = {WORLD SCIENTIFIC PUBL CO PTE LTD}, address = {5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE}, abstract = {
Present study reports the biochemical synthesis of silver nanoparticles (Ag-NPs) from aqueous medium by using the extract of medicinal mushroom Ganoderma, as a reducing and stabilizing agents. The Ag-NPs are prepared at room temperature by the reduction of Ag+ to Ag in aqueous solution of AgNO3. The resultant particles are characterized by using UV-visible spectroscopy, Fourier transform infrared (FTIR) spectroscopy and transmission electron microscopy (TEM) measurement techniques. The formation of Ag-NPs is confirmed by recording the UV-visible absorption spectra for surface plasmon resonance (SPR) where peak around 427 nm. The prominent changes observed in FTIR spectra supported the reduction of Ag+ to Ag. The morphological features of Ag-NPs are evaluated from HRTEM. The spherical Ag-NPs are observed in transmission electron microscopy (TEM) studies. The particle size distribution is found to be nearly uniform with average particle size of 2 nm. The Ag-NPs aged for 15, 30, 60 and 120 days showed no profound effect on the position of SPR peak in UV-visible studies, indicating the protecting/capping ability of medicinal mushroom Ganoderma in the synthesis of AgNPs.
}, keywords = {Biosynthesis, Ganoderma, medicinal mushroom, silver nanoparticles, UV-visible spectroscopy}, issn = {0217-9849}, doi = {10.1142/S0217984915400473}, author = {Ekar, S. U. and Khollam, Y. B. and Koinkar, Pankaj M. and Mirji, S. A. and Mane, R. S. and Naushad, M. and Jadhav, S. S.} } @proceedings {42927, title = {Black phosphorous nanosheets: prospective field emitter}, year = {2015}, month = {JUL}, pages = {94-95}, publisher = {IEEE, 345 E 47th St, New York, NY 10017 USA}, address = {Guangzhou, Peoples R China}, abstract = {
We report for the first time field electron emission investigations on few layered black phosphorous nanosheets emitter{\textquoteright}s synthesized using chemical method with thickness similar to 2-5 nm. The turn-on electric field required to draw an emission current density of similar to 10 mu A/cm(2) was found to be similar to 4.2 V/mu m. Furthermore, a few layer black phosphorous nanosheets emitter deliver an large emission current density of similar to 170 mu A/cm(2) at an applied field of similar to 7.5 V/mu m. The emission current versus time plot measured at the preset current values of similar to 5 mu A shows field emission current fluctuations within +/- 10\% of the average value indicating the well stable nature of black phosphorous field emitter. Thus, the two dimensional black phosphorous nanosheets synthesized using simple electrochemical exfoliation method can be realized and utilized for the next generation micro/nanoelectronics and flat panel field emission based display applications.
}, author = {Late, Dattatray J. and Erande, Manisha B. and Suryawanshi, Sachin R. and More, Mahendra A.} } @article { ISI:000360829900002, title = {Blends of shellac as nanofiber formulations for wound healing}, journal = {Journal of Bioactive and Compatible Polymers}, volume = {30}, number = {5}, year = {2015}, month = {SEP}, pages = {472-489}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {
Shellac is being used in food, pharmaceutical, and agricultural industries. It is seldom used for biomedical applications due to its poor mechanical property and instability. We designed thermoresponsive shellac-based bioactive nanofiber mats that mimic extracellular matrix to extend their utility in wound healing. Various blend compositions of shellac, gelatin, and poly(N-isopropylacrylamide) enriched with a bioactive agent, nadifloxacin, were prepared and nanofiber mats were fabricated. The morphology of the nanofiber formation was influenced by the concentration of polymer, drug, and polymer blend composition. Polymer-drug interactions and thermal and crystalline properties of nanofiber mats were analyzed. The shellac/gelatin/poly(N-isopropylacrylamide) blend of composition 3\%/7\%/3\% (w/v) was chosen to evaluate in vitro drug release. Release studies recorded slow, constant, and sustained release for 140h. The release kinetics and mechanism confirmed zero-order release with resultant r(2) values greater than 0.99, and the Korsmeyer-Peppas release exponent (n) was slightly higher than 0.8, which indicated that drug diffusion was anomalous or non-Fickian type and drug release followed diffusion involving chain stretching. Indirect cytotoxicity studies recorded insignificant toxicity against normal human fibroblast cells. In vivo studies demonstrated that drug-loaded nanofiber mats were more suitable for faster tissue regeneration as compared to nanofiber mats without drug and commercial nadifloxacin cream.
}, keywords = {drug release and mechanism, nanofibers, Shellac, thermoresponsive, tissue regeneration}, issn = {0883-9115}, doi = {10.1177/0883911515585180}, author = {Vannuruswamy, Garikapati and Rathna, Gundloori Venkata Naga and Gadgil, Bhagyashri Shashikant Thorat and Gadad, Anand Panchakshari} } @article { ISI:000354004400014, title = {Breaking and making of olefins simultaneously using ozonolysis: application to the synthesis of useful building blocks and macrocyclic core of solomonamides}, journal = {Organic Letters}, volume = {17}, number = {9}, year = {2015}, month = {MAY}, pages = {2090-2093}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A simple and practical one-pot) two-directional approach to access olefinic esters through simultaneous breaking and making of olefins using ozonolysis of alkenyl aryl selenides is disclosed The scope of the method with a variety of example{\textquoteright}s is demonstrated, and the end products obtained here are useful building blocks. As a direct application of the present method,the macrocyclic cote of potent anti-inflammatory natural cyclic peptides, solomonamides, is synthesized.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00637}, author = {Kashinath, K. and Dhara, Santu and Reddy, D. Srinivasa} } @article { ISI:000366429100003, title = {Breaking and making of rings: a method for the preparation of 4-quinolone-3-carboxylic acid amides and the expensive drug ivacaftor}, journal = {European Journal of Organic Chemistry}, number = {34}, year = {2015}, month = {DEC}, pages = {7433-7437}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
A simple and convenient method to access 4-quinolone-3-carboxylic acid amides from indole-3-acetic acid amides through one-pot oxidative cleavage of the indole ring followed by condensation (Witkop-Winterfeldt type oxidation) was explored. The scope of the method was confirmed with more than 20 examples and was successfully applied to the synthesis of the drug Ivacaftor, the most expensive drug on the market.
}, keywords = {Amides, Drug design, Fused-ring systems, Oxidation, Ozonolysis}, issn = {1434-193X}, doi = {10.1002/ejoc.201501048}, author = {Vasudevan, N. and Jachak, Gorakhnath R. and Reddy, D. Srinivasa} } @article { ISI:000348358200057, title = {Bronsted acidic ionic liquid-catalyzed conversion of hemicellulose into sugars}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {1}, year = {2015}, month = {SEP}, pages = {531-539}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Development of a competent method for the conversion of hemicellulose, a lignocellulosic component, into sugars is essential. In a one-pot method, Bronsted acidic ionic liquid (BAIL)-catalyzed hydrolysis of hardwood hemicellulose at 160 degrees C in water media gave C5 sugars (xylose + arabinose) in 87\% yield. The efficiency of the ILs and their acid strength both followed the similar trend, [C3SO3HMIM][HSO4] \> [C3SO3HMIM][PTS] \> [C3SO3HMIM][Cl] \> [BMIM][Cl]. The ion-dipole-type interaction present between the BAIL and the substrate, which is proposed by the H-1 NMR study, is suggested to help in achieving better activity with BAIL than with mineral acid, H2SO4.
}, issn = {2044-4753}, doi = {10.1039/c4cy01047g}, author = {Matsagar, Babasaheb M. and Dhepe, Paresh Laxmikant} } @article { ISI:000351879200044, title = {C. Siva Raman (1923-2014)}, journal = {Current Science}, volume = {108}, number = {5}, year = {2015}, month = {MAR}, pages = {996-996}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Deshpande, Mukund V.} } @article { ISI:000367464000006, title = {c Squalene synthase gene from medicinal herb bacopa monniera: molecular characterization, differential expression, comparative modeling, and docking studies}, journal = {Plant Molecular Biology Reporter}, volume = {33}, number = {6}, year = {2015}, month = {DEC}, pages = {1675-1685}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The widespread pharmaceutically important triterpenoid saponins are synthesized via isoprenoid pathway. The formation of squalene is the key regulatory point in triterpene biosynthesis, catalyzed by squalene synthase (SQS). The present study deals with the detailed characterization of SQS by molecular, biochemical, and computational means from Bacopa monniera, an immensely important medicinal plant rich in triterpenoid saponin, bacosides. A full-length SQS gene was isolated from B. monniera, characterized as B. monniera squalene synthase (BmSQS) (1242 bp) encoding 414 amino acids. Deduced amino acid sequence of BmSQS showed highly conserved consensus aspartate-rich motifs (DXXXD) and catalytic site residues. Phylogenetic analysis showed that BmSQS belongs to dicot group having closest relationship with Salvia miltiorrhiza. Semiquantitative and real-time PCR studies showed that the BmSQS messenger RNA (mRNA) expression level was higher in vegetative parts (roots) as compared to floral parts. Methyl jasmonate induces the BmSQS mRNA expression in all tissues tested, while salicylic acid, cold, and salt induce much higher expression in roots. Homology modeling and docking simulations of BmSQS showed the pivotal roles of Asp77, Asp81, Asp213, Asp217, and Tyr168 in catalysis.
}, keywords = {Abiotic stress, Bacopa monniera, Comparative modeling and docking, Differential expression, Isoprenoid pathway, Squalene synthase}, issn = {0735-9640}, doi = {10.1007/s11105-015-0864-z}, author = {Vishwakarma, Rishi K. and Patel, Krunal and Sonawane, Prashant and Kumari, Uma and Singh, Somesh and Ruby and Shakeel Abbassi and Agrawal, Dinesh C. and Tsay, Hsin-Sheng and Khan, Bashir Mohammad} } @article { ISI:000354208900004, title = {Calcium phosphate nanocapsule crowned multiwalled carbon nanotubes for pH triggered intracellular anticancer drug release}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {19}, year = {2015}, month = {APR}, pages = {3931-3939}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report calcium phosphate (CaP) nanocapsule crowned multi-walled carbon nanotubes (CNT-GSH-G4-CaP) as a novel platform for intracellular delivery of an anticancer drug. As a proof-of-concept, CNT-GSH-G4-CaP demonstrates release of anticancer drug doxorubicin hydrochloride (DOX) within intracellular lysosomes from the interior cavity of CNT upon pH triggered CaP dissolution. Importantly, we found that the CNT with a CaP nanolid can efficiently prevent untimely drug release at physiological pH but promotes DOX release at increased acidic milieu as observed in subcellular compartments such as lysosomes (similar to 5.0). This {\textquoteleft}{\textquoteleft}zero premature release{\textquoteright}{\textquoteright} characteristic is of clinical significance in delivering cytotoxic drugs, by reducing systemic toxicity and thus beneficial for the effective anticancer treatment. We envision that this pH triggered CaP crowned CNT nanosystem would lead to a new generation of self-regulated platforms for intracellular delivery of a variety of anticancer drugs.
}, issn = {2050-750X}, doi = {10.1039/c5tb00534e}, author = {Banerjee, Shashwat S. and Todkar, Kiran J. and Khutale, Ganesh V. and Chate, Govind P. and Biradar, Ankush V. and Gawande, Manoj B. and Zboril, Radek and Khandare, Jayant J.} } @article { ISI:000360653900022, title = {Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework}, journal = {Journal of Chemical Physics}, volume = {143}, number = {8}, year = {2015}, month = {AUG}, pages = {084119}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
The effective electric field experienced by the unpaired electron in the ground state of PbF, which is a potential candidate in the search of electron electric dipole moment due to some special characteristics, is calculated using Z-vector method in the coupled cluster single-and double-excitation approximation with four component Dirac spinor. This is an important quantity to set the upper bound limit of the electron electric dipole moment. Further, we have calculated molecular dipole moment and parallel magnetic hyperfine structure constant (A(parallel to)) of Pb-207 in PbF to test the accuracy of the wavefunction obtained in the Z-vector method. The outcome of our calculations clearly suggests that the core electrons have significant contribution to the {\textquoteleft}{\textquoteleft}atom in compound{\textquoteright}{\textquoteright} properties. (C) 2015 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4929591}, author = {Sasmal, Sudip and Pathak, Himadri and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article { ISI:000364323300003, title = {Can enantiomer ligands produce structurally distinct homochiral MOFs?}, journal = {CrystEngComm}, volume = {17}, number = {43}, year = {2015}, month = {SEP}, pages = {8202-8206}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Here, we report a self-assembled homochiral metal-organic framework [Cu-1.5(H2LL-leu)(Ac)H2O](n)center dot 3H(2)O (1) obtained from an L-leucine-derived ligand (H4L(L-leu)) and Cu(Ac)(2)center dot H2O in a 1 : 1 ratio. Coordination-induced conformational change in the ligand has been monitored by circular dichroism which has been further attested by synthesizing a D-leucine-containing enantiomer H4L D-leu and its Cu(II) complex [Cu-1.5(H2LD-leu)H2O](n)center dot 10H(2)O (2). Structure determination revealed entirely different structures for the homochiral MOFs (1 and 2) obtained from the L/D-leucine-derived enantiomer ligands under analogous reaction conditions. Further, structural dissimilarity in these MOFs has been judicially supported by proton conductance studies. MOF 1 shows higher proton (10(-5) S cm(-1)) conductance in comparison to 2 (10(-6) S cm(-1)) due to dissimilar alignment of the hydrogen-bonded water molecules in the hydrophilic pocket as well as crystal packing.
}, issn = {1466-8033}, doi = {10.1039/c5ce01180a}, author = {Dubey, Mrigendra and Kumar, Ashish and Dhavale, Vishal M. and Kurungot, Sreekumar and Pandey, Daya Shankar} } @article { ISI:000365401700034, title = {Can silicon substituted metal-free organic dyes achieve better efficiency compared to silicon free organic dyes? a computational study}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {46}, year = {2015}, month = {OCT}, pages = {31093-31100}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The power conversion efficiency of metal-free organic dyes in dye-sensitized solar cells (DSSCs) is now comparable to ruthenium-based polypyridyl and zinc-based porphyrin dyes. We have computationally investigated the structural, electronic and optical properties of a series of metal free organic dyes and their corresponding silicon substituted dyes. The DFT and TD-DFT calculations revealed that silicon substituted organic dyes have higher efficiency than the corresponding silicon free organic dyes. The computational results showed that the presence of silole units as a spacer group can significantly affect the performance of DSSCs compared to typically using thiophene as a spacer unit. These results corroborate the experimental observations reported in the literature. The time-dependent density functional theory (TDDFT) calculations performed at the CPCM-CAM-B3LYP/6-31+G* level of theory showed better agreement with the experimental absorption spectra of some reported metal free organic dyes having silole in the spacer group compared to other functionals and are employed in this study. Indoline donor based dye 5 showed a much shorter absorption spectrum (absorption peak at 425 nm) and smaller electron injection driving force (Delta G(injection) = -1.77 eV) than the corresponding dye 8 containing silicon substituted indoline as a donor and a silole group as a spacer unit. lambda(max) = 502 nm and Delta G(injection) = -1.82 eV calculated for dye 8 are much larger than the corresponding silicon free dye 5. The silicon based dye 8 helps in achieving a much lower DGregeneration value than 5, which can facilitate the faster electron injection rate from the dye to the semiconductor TiO2. Dye 8 should also have a higher V-oc value compared to other dyes (5-7) due to favourable interaction with the electrolyte (I-/I-3(-)). The higher planarity and better conjugation in dye 8 facilitate the transfer of electrons from the dye molecules to the semiconductor TiO2. The calculations performed with phenyl protecting groups near the silicon center of the dye molecule 8 to diminish the dimerization process showed very similar optical properties as obtained with the corresponding unprotected dye system. The designed julolidine and pyrrolo-indolizine donor based dyes also showed a similar trend as observed for indoline donor based dyes.
}, issn = {1463-9076}, doi = {10.1039/c5cp05144d}, author = {Biswas, Abul Kalam and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000351849100002, title = {Can substituted allenes be highly efficient leaving groups in catalytic processes? a computational investigation}, journal = {Journal of Computational Chemistry}, volume = {36}, number = {11}, year = {2015}, month = {APR}, pages = {795-804}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
There is considerable interest presently in the chemistry of allenes. The current computational investigation looks into the possibility of using allenes and their derivatives as leaving groups. As it is well known, leaving groups are significant in catalytic processes for generating the active site. A full quantum mechanical study using density functional theory shows that allenes and their derivatives can function as excellent leaving groups. Indeed, the calculations show that they can be several orders of magnitude more effective than existing ligands for this purpose. The modification of second generation Grubbs{\textquoteright} catalysts with these ligands suggests that the allene ligand cases that would be most effective are those having electron withdrawing groups, especially those that have the potential for supramolecular interactions between the substituent groups in the free state. (c) 2015 Wiley Periodicals, Inc.
}, keywords = {allenes, carbones, Density functional theory, olefin metathesis, supramolecular interactions}, issn = {0192-8651}, doi = {10.1002/jcc.23855}, author = {Kuriakose, Nishamol and Vanka, Kumar} } @article { ISI:000349917900007, title = {Can we shift and/or broaden the catalysis regime towards ambient temperature?}, journal = {ChemCatChem}, volume = {7}, number = {4}, year = {2015}, month = {FEB}, pages = {588-594}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
An attempt was made to shift the temperature regime of oxidation catalysis towards ambient temperatures by employing surface modification (SM) as a handle. Systematic SM of Pd(111) was performed by O-atom diffusion into the subsurfaces. Virgin and modified Pd(111) catalysts were evaluated for CO oxidation. Typical CO poisoning observed on virgin surfaces was partially lifted, and ambient CO oxidation was observed on the modified surfaces. CO oxidation was followed by the molecular beam method and near-ambient pressure (NAP) photoelectron spectroscopy under different pressure regimes. UV valence band spectral analysis of the SM and the CO+O-2 reaction on modified Pd(111) surfaces under NAP conditions demonstrated changes in the electronic structures of the surfaces with a change in surface potential by 0.35eV and directly probed CO2 formation under the reaction conditions. Supported metal catalysts may be subjected to SM and evaluated for a shift in the catalysis regime for many different reactions.
}, keywords = {heterogeneous catalysis, Oxidation, photoelectron spectroscopy, surface chemistry, surface modification}, issn = {1867-3880}, doi = {10.1002/cctc.201402979}, author = {Gopinath, Chinnakonda S. and Roy, Kanak and Nagarajan, Sankaranarayanan} } @article { ISI:000355645000021, title = {Carbon dioxide sequestration: influence of porous media on hydrate formation kinetics}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {3}, number = {6}, year = {2015}, month = {JUN}, pages = {1205-1214}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In the present study, CO, sequestration by hydrate formation in porous sediments has been discussed. Two siliceous materials with high porosities, pumice and fire hardened red clay (FHRC), have been used as packing materials in a fixed bed setup to study hydrate formation kinetics. The results obtained using the aforementioned materials were compared with those obtained using silica sand and quartz. Carbon dioxide hydrate formation kinetics was studied at 3.0 MPa pressure and 274 K temperature. Two different types of experiments were conducted: (a) using a constant volume of water and (b) maintaining a constant bed height. These experiments were conducted using the different porous media individually as packing materials. It was observed that pumice as the porous medium showed better hydrate formation kinetics resulting in 46 mol \% water to hydrate conversion in 5 h. Moreover, kinetics was enhanced with decrease in the bed height of pumice; this suggests that at field scale adaptation of CO, sequestration in geological formations, mass transfer limitations would be significant. The effects of particle size on hydrate formation kinetics were also investigated. It was observed that hydrate formation kinetics was enhanced with decrease in the particle size fraction.
}, keywords = {Bed height, Gas hydrate, gas uptake, Geological sequestration, Particle size}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.5b00171}, author = {Bhattacharjee, Gaurav and Kumar, Asheesh and Sakpal, Tushar and Kumar, Rajnish} } @article { ISI:000364355500053, title = {Carbon nanohorn-derived graphene nanotubes as a platinum-free fuel cell cathode}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {43}, year = {2015}, month = {NOV}, pages = {24256-24264}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Current low-temperature fuel cell research mainly focuses on the development of efficient nonprecious electrocatalysts for the reduction of dioxygen molecule due to the reasons like exorbitant cost and scarcity of the current state-of-the-art Pt-based catalysts. As a potential alternative to such costly electrocatalysts, we report here the preparation of an efficient graphene nanotube based oxygen reduction electrocatalyst which has been derived from single walled nanohorns, comprising a thin layer of graphene nanotubes and encapsulated iron oxide nanopartides (FeGNT). FeGNT shows a surface area of 750 m(2)/g, which is the highest ever reported among the metal encapsulated nanotubes. Moreover, the graphene protected iron oxide nanoparticles assist the system to attain efficient distribution of Fe-N-x and quaternary nitrogen based active reaction centers, which provides better activity and stability toward the oxygen reduction reaction (ORR) in acidic as well as alkaline conditions. Single cell performance of a proton exchange membrane fuel cell by using FeGNT as the cathode catalyst delivered a maximum power density of 200 mW cm(-2) with Nafion as the proton exchange membrane at 60 degrees C. The facile synthesis strategy with iron oxide encapsulated graphitic carbon morphology opens up a new horizon of hope toward developing Pt-free fuel cells and metal-air batteries along with its applicability in other energy conversion and storage devices.
}, keywords = {carbon nanohorns, carbon nanotube, electrocatalyst, fuel cell, oxygen reduction reaction}, issn = {1944-8244}, doi = {10.1021/acsami.5b07802}, author = {Unni, SreeKuttan M. and Illathvalappil, Rajith and Bhange, Siddheshwar N. and Puthenpediakkal, Hasna and Kurungot, Sreekumar} } @article { ISI:000359885900003, title = {Carbon-carbon bond forming reactions: application of covalently anchored 2,4,6-triallyloxy-1,3,5-triazine (TAT) Pd(II) complex over modified surface of SBA-15 to Heck, Suzuki, Sonogashira and Hiyama cross coupling reactions}, journal = {Catalysis Communications}, volume = {69}, year = {2015}, month = {SEP}, pages = {11-15}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A highly active SBA-15-TAT-Pd(II) catalyst was synthesized from organofunctionalized SBA-15 and 2,4,6-triallyloxy-1,3,5-triazine. The catalyst was employed in carrying out Heck, {\textquoteleft}{\textquoteleft}copper-free{\textquoteright}{\textquoteright} Sonogashira, Suzuki and Hiyama cross coupling reactions. Under the optimized conditions the catalyst displays excellent catalytic activity in delivering the desired products in good to excellent yields. The catalytic system exhibited superior activity regarding the time taken for the completion of reaction, isolation, Pd loading (0.62 mmol\%) and yields of products as compared to the earlier reported heterogeneous SBA-15 anchored Pd catalysts. The catalyst could be recycled and reused for five times without any appreciable loss of catalytic activity. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Heck, Hiyama, SBA-15-TAT-Pd(II) catalyst, Sonogashira, Suzuki}, issn = {1566-7367}, doi = {10.1016/j.catcom.2015.05.013}, author = {Singh, Chandani and Jawade, Kiran and Sharma, Priti and Singh, Anand P. and Kumar, Pradeep} } @article {43015, title = {Carboxymethyl cellulose based multifunctional targeted drug delivery platform for pancreatic cancer: nanotheranostic potential and biocompatibility analysis}, journal = {World Journal of Pharmaceutical Sciences}, volume = {3}, year = {2015}, month = {JUL}, pages = {1347-1359}, author = {Joshi, Preeti Nigam and Wangnoo, Shishanka and Louis, Michelle} } @article { ISI:000348510400004, title = {Catalyst-dependent selectivity in the relay catalytic branching cascade}, journal = {Chemistry-A European Journal}, volume = {21}, number = {6}, year = {2015}, month = {FEB}, pages = {2319-2323}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The synthesis of small organic molecules as probes for discovering new therapeutic agents has been an important aspect of chemical biology. One of the best ways to access collections of small molecules is to use various techniques in diversity-oriented synthesis (DOS). Recently, a new form of DOS, namely relay catalytic branching cascades (RCBCs), has been introduced, wherein a common type of starting material reacts with several scaffold-building agents (SBAs) to obtain structurally diverse molecular scaffolds under the influence of catalysts. Herein, the RCBC reaction of a common type of substrate with SBAs is reported to give two different types of molecular scaffolds and their formation is essentially dependent on the type of catalyst used.
}, keywords = {alkynols, cascade synthesis, chemoselectivity, diversity-oriented synthesis, Homogeneous catalysis}, issn = {0947-6539}, doi = {10.1002/chem.201405736}, author = {Bansode, Avinash H. and Shaikh, Aslam C. and Kavthe, Rahul D. and Thorat, Shridhar and Gonnade, Rajesh G. and Patil, Nitin T.} } @article { ISI:000356739400008, title = {Catalytic conversion of furfural to industrial chemicals over supported Pt and Pd catalysts}, journal = {Journal of Catalysis}, volume = {327}, year = {2015}, month = {JUL}, pages = {65-77}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Several industrial chemicals were prepared by hydrogenation of furfural over gamma-Al2O3-supported Pt and Pd catalysts. These catalysts were active even at room temperature (25 degrees C). While the Pt catalysts were selective for C=O hydrogenation (yielding furfuryl alcohol), Pd facilitated ring hydrogenation (producing tetrahydrofurfuryl alcohol). At high temperature (240 degrees C), the Pd catalyst exhibited excellent decarbonylation activity forming furan with 85\% yield. The catalyst was reusable even in the absence of external hydrogen. The presence of hydrogen led to ring-opened products. Furan was quantitatively converted at 25 degrees C to tetrahydrofuran. Acidity of the support made a marked influence on the activity and selectivity. Pt on SO4-ZrO2 favored hydrogenolysis yielding 2-methyl furan along with furan with \>75 wt\% selectivity. Particle size, metal dispersion, and solvent influenced catalytic activity. Differences in structure and mode of furfural adsorption were also the causes for variations in selectivity of these supported Pt and Pd catalysts. (C) 2015 Elsevier Inc. All rights reserved.
}, keywords = {Biomass to fuels and chemicals, Decarbonylation, furfural, Hydrogenation, Hydrogenolysis, Supported Pt and Pd catalysts}, issn = {0021-9517}, doi = {10.1016/j.jcat.2015.04.018}, author = {Bhogeswararao, Seemala and Srinivas, D.} } @article { ISI:000356755500019, title = {Catalytic upgrading of citric acid to environmental friendly tri-butyl citrate plasticizer over ultra stable phosphonated Y zeolite}, journal = {Chemical Engineering Research \& Design}, volume = {98}, year = {2015}, month = {JUN}, pages = {212-219}, publisher = {INST CHEMICAL ENGINEERS}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {
The catalytic synthesis of non-toxic/eco-friendly tributyl citrate (TBC) plasticizer by esterification of renewable citric acid (CA) with butanol would be completely sustainable route. In this context, catalytic performance of parent ultra stable Y (USY) and phosphonated USY catalysts were investigated for TBC synthesis. Parent USY and phosphonated USY catalysts were characterized by powder X-ray diffraction (XRD), N-2 adsorption-desorption, NH3 temperature programmed desorption (TPD), pyridine-Fourier Transform Infrared Spectroscopy (FTIR), FTIR, SEM, ICP. The influence of various process parameters such as phosphorous (P) loading (0 to 4 wt/\%), catalyst loading (5-25\%), molar ratio of CA to n-butanol (1:4 to 1:12), reaction temperature (383-423 K) and reaction time (1-5 h) have been investigated over USY catalyst with aim to maximize CA conversion and TBC yield. Amongst the studied catalysts, the 2\% (w/w) P/USY was found to be highly potential catalyst with complete CA conversion (100\%) and 93\% TBC yield. The present method of using 2\% (w/w) P/USY catalyst for the synthesis of TBC would be environmentally benign in the context of bio-renewable synthetic route, high catalytic activity, non-toxic product, long term stability and reusability of catalyst (five catalytic cycles). (c) 2015 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved,
}, keywords = {Butanol, Citric acid, heterogeneous catalysis, Plasticizer, Tributyl citrate}, issn = {0263-8762}, doi = {10.1016/j.cherd.2015.04.037}, author = {Nandiwale, Kakasaheb Y. and Gogoi, Pranjal and Bokade, Vijay V.} } @article { ISI:000361402900006, title = {Cathepsins of lepidopteran insects: aspects and prospects}, journal = {Insect Biochemistry and Molecular Biology}, volume = {64}, year = {2015}, month = {SEP}, pages = {51-59}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Molecular understanding of lepidopteran physiology has revealed that proteases consist of one of the central regulatory/reacting system for insect growth and survival. Among the various proteases, cathepsins are the most crucial cellular proteases, which play vital roles during insect development. In the present review, we have discussed various aspects of the lepidopteran insect cathepsins, emphasizing their roles in processes like development, growth, metamorphosis, apoptosis and immunity. Cathepsins are categorized into different types on the basis of their sequence diversification, leading to variation in structure and catalytic function. Cathepsins exhibit tissue and stage specific expression pattern which is fine-tuned by a delicate balance of expression, compartmentalization, zymogen activation, inhibition by protein inhibitors and degradation. The indispensability of cathepsins as cellular proteases in the above mentioned processes proposes them as novel targets for designing effective and specific insect controlling strategies. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Apoptosis, Cathepsin, Cysteine/aspartate protease, Development, Lepidoptera, Pest control, Stress response}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2015.07.005}, author = {Saikhedkar, Nidhi and Summanwar, Aarohi and Joshi, Rakesh S. and Giri, Ashok P.} } @article { ISI:000365283700043, title = {Cationic photopolymerization kinetics of neat coating formulations involving poly(propylene glycol) diglycidyl ether and glycerol diglycidyl ether}, journal = {Journal of Thermal Analysis and Calorimetry}, volume = {122}, number = {3}, year = {2015}, month = {DEC}, pages = {1445-1454}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Kinetic analysis of formulations based on poly(propylene glycol) diglycidyl ether and glycerol diglycidyl ether was carried out using photodifferential scanning calorimeter. The effects of formulation monomer ratios at different temperatures were studied as photocalorimetric optimization studies of formulation ratios involving diglycidyl ethers are less reported. The nature of cure was found to depend more on the in situ physical parameters rather than on the mechanism of the reaction. The variations in the observed kinetic parameters can be related to interplay of mobility of reactive species, distance of counter ion and the diffusional restrictions. The final conversion was found to increase with increase in poly(propylene glycol) diglycidyl ether content, while the thermal stability increased with an increase in glycerol diglycidyl ether content. Autocatalytic kinetic model was also evaluated, and the system underwent early gelation. The studies show that the intermediate formulations are promising compositions for surface-coating applications.
}, keywords = {Coatings, Diglycidyl ether, kinetics, PhotoDSC, Photopolymerization}, issn = {1388-6150}, doi = {10.1007/s10973-015-4967-4}, author = {Harikrishna, Reghunathan} } @article { ISI:000358022300001, title = {Cations and dications of heavier group 14 elements in low oxidation states}, journal = {Dalton Transactions}, volume = {44}, number = {29}, year = {2015}, month = {JUN}, pages = {12903-12923}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Cations and dications of heavier group 14 elements in their low oxidation state have received widespread attention in recent years. The journey started with the isolation of a series of cations of the composition [(C5Me5)E:](+) [E = Si-Pb], followed by the more recent isolation of a Ge(II) dication encapsulated within a cryptand, a carbodiphosphorane stabilized [GeCl](+) monocation with a two coordinate Ge atom, Si(II) cations and dications stabilized by N-heterocyclic carbenes (NHCs), which highlights the ongoing growth and interest in the chemistry of tetrel(II) cations. This is presumably because the central atom (E) in these compounds contains two or three unoccupied valence orbitals as well as holds a lone pair of electrons. Such an electronic description represents ambiphilicity, which is of great interest for catalysis. The successful synthesis of divalent group 14 cations requires new synthetic strategies based on the sterically demanding neutral or monoanionic ligands, utilization of counter anions, and solvents with low nucleophilicity in order to minimize the degree of interactions with the cations. An alternative approach for the realization of divalent cations of group 14 elements is their coordination to the transition metals. This synthetic approach was successfully applied for the isolation of a range of transition metal coordinated divalent cations of group 14 elements. Apart from arousing academic interest some of these cations have found application as activators in the Ziegler-Natta polymerization of alkenes.
}, issn = {1477-9226}, doi = {10.1039/c5dt01912e}, author = {Swamy, V. S. V. S. N. and Pal, Shiv and Khan, Shabana and Sen, Sakya S.} } @article { ISI:000357034800003, title = {Cell line development for biomanufacturing processes: recent advances and an outlook}, journal = {Biotechnology Letters}, volume = {37}, number = {8}, year = {2015}, month = {AUG}, pages = {1553-1564}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
At the core of a biomanufacturing process for recombinant proteins is the production cell line. It influences the productivity and product quality. Its characteristics also dictate process development, as the process is optimized to complement the producing cell to achieve the target productivity and quality. Advances in the past decade, from vector design to cell line screening, have greatly expanded our capability to attain producing cell lines with certain desired traits. Increasing availability of genomic and transcriptomic resources for industrially important cell lines coupled with advances in genome editing technology have opened new avenues for cell line development. These developments are poised to help biosimilar manufacturing, which requires targeting pre-defined product quality attributes, e.g., glycoform, to match the innovator{\textquoteright}s range. This review summarizes recent advances and discusses future possibilities in this area.
}, keywords = {Biomanufacturing, Biosimilars, Cell line development, CHO cells genomics, Genome editing, Transcriptomics}, issn = {0141-5492}, doi = {10.1007/s10529-015-1843-z}, author = {Le, Huong and Vishwanathan, Nandita and Jacob, Nitya M. and Gadgil, Mugdha and Hu, Wei-Shou} } @article { ISI:000363379900001, title = {Cell scale host-pathogen modeling: another branch in the evolution of constraint-based methods}, journal = {Frontiers in Microbiology}, volume = {6}, year = {2015}, month = {OCT}, pages = {Article Number: 1032}, publisher = {FRONTIERS MEDIA SA}, address = {PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND}, abstract = {
Constraint-based models have become popular methods for systems biology as they enable the integration of complex, disparate datasets in a biologically cohesive framework that also supports the description of biological processes in terms of basic physicochemical constraints and relationships. The scope, scale, and application of genome scale models have grown from single cell bacteria to multi cellular interaction modeling; host-pathogen modeling represents one of these examples at the current horizon of constraint-based methods. There are now a small number of examples of host-pathogen constraint-based models in the literature, however there has not yet been a definitive description of the methodology required for the functional integration of genome scale models in order to generate simulation capable host-pathogen models. Herein we outline a systematic procedure to produce functional host-pathogen models, highlighting steps which require debugging and iterative revisions in order to successfully build a functional model. The construction of such models will enable the exploration of host-pathogen interactions by leveraging the growing wealth of omic data in order to better understand mechanism of infection and identify novel therapeutic strategies.
}, keywords = {constraint-based model, flux balance analysis, host-pathogen, mathematical models, omics-technologies, optimization methods, salmonella typhimurium, tuberculosis}, issn = {1664-302X}, doi = {10.3389/fmicb.2015.01032}, author = {Jamshidi, Neema and Raghunathan, Anu} } @article { ISI:000348833400001, title = {Characterization of 10-hydroxygeraniol dehydrogenase from catharanthus roseus reveals cascaded enzymatic activity in iridoid biosynthesis}, journal = {Scientific Reports}, volume = {5}, year = {2015}, month = {FEB}, pages = {Article Number: 8258}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
Catharanthus roseus [L.] is a major source of the monoterpene indole alkaloids (MIAs), which are of significant interest due to their therapeutic value. These molecules are formed through an intermediate, cis-trans-nepetalactol, a cyclized product of 10-oxogeranial. One of the key enzymes involved in the biosynthesis of MIAs is an NAD(P)(+) dependent oxidoreductase system, 10-hydroxygeraniol dehydrogenase (Cr10HGO), which catalyses the formation of 10-oxogeranial from 10-hydroxygeraniol via 10-oxogeraniol or 10-hydroxygeranial. This work describes the cloning and functional characterization of Cr10HGO from C. roseus and its role in the iridoid biosynthesis. Substrate specificity studies indicated that, Cr10HGO has good activity on substrates such as 10-hydroxygeraniol, 10-oxogeraniol or 10-hydroxygeranial over monohydroxy linear terpene derivatives. Further it was observed that incubation of 10-hydroxygeraniol with Cr10HGO and iridoid synthase (CrIDS) in the presence of NADP(+) yielded a major metabolite, which was characterized as (1R, 4aS, 7S, 7aR)-nepetalactol by comparing its retention time, mass fragmentation pattern, and co-injection studies with that of the synthesized compound. These results indicate that there is concerted activity of Cr10HGO with iridoid synthase in the formation of (1R, 4aS, 7S, 7aR)-nepetalactol, an important intermediate in iridoid biosynthesis.
}, issn = {2045-2322}, doi = {10.1038/srep08258}, author = {Krithika, Ramakrishnan and Srivastava, Prabhakar Lal and Rani, Bajaj and Kolet, Swati P. and Chopade, Manojkumar and Soniya, Mantri and Thulasiram, Hirekodathakallu V.} } @article { ISI:000359596600058, title = {Charge-switchable gold nanoparticles for enhanced enzymatic thermostability}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {33}, year = {2015}, month = {JUL}, pages = {21517-21524}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This study illustrates a facile strategy for efficient immobilization of enzymes on a metal nanoparticle surface. The strategy proposed here enables the enzymatic activity to be retained while increasing the enzyme thermostability. It is demonstrated that the use of a zwitterionic amino acid tyrosine as a reducing and capping agent to synthesise gold nanoparticles allows efficient immobilization of phytase enzyme through charge-switchable electrostatic interactions. The detailed kinetic and thermodynamic studies reveal that the proposed enzyme immobilization strategy improves the overall quality of phytase by reducing the activation energy required for substrate hydrolysis and broadening the temperature window in which immobilized enzyme is able to operate. The outcomes of this study indicate that the underlying zwitterionic nature of 20 natural amino acids along with significant variability in their isoelectric points and hydropathy indices as well the ability of some of the amino acids to reduce metal ions is likely to offer significant opportunities for tailoring nano-bio interfaces in a rational manner for a range of biological applications.
}, issn = {1463-9076}, doi = {10.1039/c5cp03021h}, author = {Shankar, Shiv and Soni, Sarvesh K. and Daima, Hemant K. and Selvakannan, P. R. and Khire, Jayant Malhar and Bhargava, Suresh Kumar and Bansal, Vipul} } @article { ISI:000360705500008, title = {Chemical and biological metal nanoparticles as antimycobacterial agents: a comparative study}, journal = {International Journal of Antimicrobial Agents}, volume = {46}, number = {2}, year = {2015}, month = {AUG}, pages = {183-188}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Resistance among mycobacteria leading to multidrug-resistant and extensively drug-resistant tuberculosis is a major threat. However, nanotechnology has provided new insights in drug delivery and medicine development. This is the first comparative report to determine the activity of chemically and biologically synthesised silver nanoparticles (AgNPs) and gold nanoparticles (AuNPs) against mycobacteria. Screening data revealed the high mycobactericidal efficiency of AgNPs, with minimum inhibitory concentrations (MICs) of \<3 mu g/mL, whereas no such activity was exhibited by AuNPs at concentrations up to 100 mu g/mL. Moreover, in vitro and ex vivo THP-1 infection model assays showed greater efficacy of chemical AgNPs compared with biogenic AgNPs to inhibit active and dormant stage mycobacterial growth. Up to 40\% cytotoxicity against human cell lines was observed at a AgNP concentration of 10 x MIC (30 mu g/mL) after 48 h. AgNPs were shown to have more specificity towards mycobacteria than towards other Gram-negative and Gram-positive pathogenic bacteria. The selectivity index was found to be in the range of 11-23, indicating the potential of these nanoparticles for use in developing new therapeutics for tuberculosis. (C) 2015 Elsevier B.V. and the International Society of Chemotherapy. All rights reserved.
}, keywords = {Antibiotic resistance, Antimycobacterial agent, Cytotoxicity, Mycobacteria, Nanoparticles, tuberculosis}, issn = {0924-8579}, doi = {10.1016/j.ijantimicag.2015.03.014}, author = {Singh, Richa and Nawale, Laxman U. and Arkile, Manisha A. and Shedbalkar, Utkarsha U. and Wadhwani, Sweety A. and Sarkar, Dhiman and Chopade, Balu Ananda} } @article { ISI:000356176200034, title = {Chemical sensing in two dimensional porous covalent organic nanosheets}, journal = {Chemical Science}, volume = {6}, number = {7}, year = {2015}, month = {APR}, pages = {3931-3939}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Two new imide-based crystalline, porous, and chemically stable covalent organic frameworks (COFs) (TpBDH and TfpBDH) have been successfully synthesized employing solvothermal crystallization route. Furthermore, thin layered covalent organic nanosheets (CONs) were derived from these bulk COFs by the simple liquid phase exfoliation method. These 2D CONs showcase increased luminescence intensity compared to their bulk counterparts (COFs). Notably, TfpBDH-CONs showcase good selectivity and prominent, direct visual detection towards different nitroaromatic analytes over TpBDH-CONs. Quite interestingly, TfpBDH-CONs exhibit a superior {\textquoteleft}{\textquoteleft}turn-on{\textquoteright}{\textquoteright} detection capability for 2,4,6-trinitrophenol (TNP) in the solid state, but conversely, they also show a {\textquoteleft}{\textquoteleft}turn-off{\textquoteright}{\textquoteright} detection in the dispersion state. These findings describe a new approach towards developing an efficient, promising fluorescence chemosensor material for both visual and spectroscopic detection of nitroaromatic compounds with very low [10(-5) (M)] analyte concentrations.
}, issn = {2041-6520}, doi = {10.1039/c5sc00512d}, author = {Das, Gobinda and Biswal, Bishnu P. and Kandambeth, Sharath and Venkatesh, V. and Kaur, Gagandeep and Addicoat, Matthew A. and Heine, Thomas and Verma, Sandeep and Banerjee, Rahul} } @article {42991, title = {Chemical utilisation of CO2 a challenge for the sustainable world}, journal = {Resonance}, volume = {20}, year = {2015}, month = {FEB}, pages = {165{\textendash}176}, abstract = {
We derive more than 80\% of our energy and chemicals from fossil fuels such as oil, coal and natural gas. Depleting resources and environmental pollution are forcing us to look for alternative resources. Carbon dioxide (CO2), which is produced in large quantities, could be recycled to chemical feedstocks.
}, doi = {10.1007/s12045-015-0163-x}, author = {Jagadeesan, Dinesh and Joshi, Bhaskar and Parameswaran, Prashant} } @article {45931, title = {Chemically chargeable photo battery}, journal = {Journal of Physical Chemistry C}, volume = {119}, year = {2015}, month = {JUN }, pages = {14010-14016}, type = {Article}, abstract = {
Here we show a surrogate strategy for power production, wherein light is used to actuate a discharge Chemistry in the cathode of an aqueous rechargeable battery (ARB). The proposed photo battery consists of a titaninm nitride photoanode, promising. cathode:material iron(III) hexacyanoferrate(II) as the battery active species, and Na2S2O8 as the chemical charging agent The photo battery delivered negligible capacity in the dark and the capacity shot up to 77.8 mAh/g when artificially shined light, confirming that the battery chemistry is light driven. In the ambient light, the device retained 72\% of its artificial light discharge capacity with a stable cycling for more than 100 cycles. Further, an unprecedented means for charging the battery rapidly is presented using Na2S2O8 and it revitalized the battery in 30 s without any external bias. This methodology of expending a photoanode extends to a battery that is free from dissolution of active materials, irreversible structural changes, spontaneous deinsertion reactions, and safety concerns commonly encountered in the state of the art anode materials in ARBs. Apart from bringing out a sustainable way for power production, this device opens up avenues for charging the battery in the likely events of electrical input unavailability, while solving the critcial issues of longer charging time and higher charging voltage.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b02871}, author = {Thimmappa, Ravikumar and Paswan, Bhuneshwar and Gaikwad, Pramod and Devendrachari, Mruthyunjayachari Chattanahalli and Kotresh, Harish Makri Nimbegondi and Mohan, Ramsundar Rani and Alias, Joy Pattayil and Thotiyl, Musthafa Ottakam} } @article { ISI:000356801300073, title = {Chemically grafted graphite nanosheets dispersed in poly(ethylene-glycol) by gamma-radiolysis for enhanced lubrication}, journal = {RSC Advances}, volume = {5}, number = {66}, year = {2015}, month = {JUN}, pages = {53766-53775}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Graphite nanosheets (Gr-NS) dispersed in poly(ethylene-glycol) (PEG200) medium were subjected to various doses of gamma-irradiation. Hydroxyl functional groups present in PEG are chemically grafted through hydrogen bonding with hydroxyl, carbonyl and carboxylic groups of Gr-NS. The grafting process is driven by the generation of active radicals from solvent radiolysis. Chemical grafting was investigated using X-ray photoelectron spectroscopy (XPS) and Fourier transform infra-red (FTIR) spectroscopy. The results of spectroscopic studies revealed reduction in oxygen functionality of PEG-Gr-NS at higher doses of gamma-irradiation. The gamma-irradiation not only bridges the functionalities between PEG and PEG-Gr-NS but edge and basal plane defects in Gr-NS are further reduced as is evident from Raman analysis. The inter-planar sheet distance in Gr-NS is increased due to intercalated chemical grafting with PEG molecules. The chemical grafting between PEG and Gr-NS and reduction in defects enhance the tribological properties with a decrease of 26\% and 32\% for the friction coefficient and wear, respectively as compared to PEG alone. The lubrication mechanism is mediated through inter-planar weak forces when PEG is chemically grafted with Gr-NS. The electrostatic interaction of PEG with Gr-NS acts as a molecular bridge thus enhancing the sustainability of tribo-stress. Additionally, in the presence of functionalized PEG-Gr-NS tribo-contact conditions, evidence of deposited graphitic tribo-film was observed from micro-Raman spectroscopy inside the steel wear track. This film further enhanced lubrication mediated through low shear strength interlayer graphite sheets and therefore, antiwear properties were synergistically improved.
}, issn = {2046-2069}, doi = {10.1039/c5ra07528a}, author = {Gupta, Bhavana and Panda, Kalpataru and Kumar, Niranjan and Melvin, Ambrose A. and Dash, Sitaram and Tyagi, Ashok Kumar} } @article { ISI:000351971600028, title = {Chemically reduced organic small-molecule-based lithium battery with improved efficiency}, journal = {Chemistry of Materials}, volume = {27}, number = {6}, year = {2015}, month = {MAR}, pages = {2121-2126}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Organic lithium batteries are attractive because of the possibility of fabricating lightweight and flexible devices. However, the organic lithium batteries have a few drawbacks. The specific capacity is usually lower than the theoretical capacity, which further decreases upon cycling. Often, the specific capacity is very low compared to theoretical capacity while discharging the battery at moderate and high C rates. To circumvent this issue, we chemically reduced carboxylic acid functionality substituted perylene diimide (benzoic-PDI) with hydrazine. Indeed, we found that the rate of redox reaction as well as the conductivity of the benzoic-PDI increased upon chemical reduction. The battery comprising reduced benzoic-PDI exhibits 100\% Coulombic efficiency and specific capacity while discharging at 20C. The battery also exhibits very high specific energy (213 Wh/kg) and specific power (8548 W/kg). The control experiments confirm our hypothesis of using chemical reduction to improve the performance of organic lithium battery.
}, issn = {0897-4756}, doi = {10.1021/cm5046786}, author = {Bhosale, Manik E. and Krishnamoorthy, Kothandam} } @article { ISI:000365307400018, title = {Chemoenzymatic collective synthesis of optically active hydroxyl(methyl)tetrahydronaphthalene-based bioactive terpenoids}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {46}, year = {2015}, month = {SEP}, pages = {11331-11340}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Starting from succinic anhydride and 2-methylanisole, a chemoenzymatic collective formal/total synthesis of several optically active tetrahydronaphthalene based bioactive natural products has been presented via advanced level common precursors; the natural product and antipode (-)/(+)-aristelegone B. Regioselective benzylic oxidations, stereoselective introduction of hydroxyl groups at the alpha-position of ketone moiety in syn-orientation, efficient enzymatic resolutions with high enantiomeric purity, stereoselective reductions, samarium iodide induced deoxygenations and tandem acylation-Wittig reactions without racemization and/or eliminative aromatization were the key features. An attempted diastereo-selective synthesis of (+/-)-vallapin has also been described.
}, issn = {1477-0520}, doi = {10.1039/c5ob01740h}, author = {Batwal, Ramesh U. and N. P. Argade} } @article { ISI:000360934800005, title = {Chemoinformatics approach for building molecular networks from marine organisms}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {7}, year = {2015}, month = {JAN}, pages = {673-684}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Natural products obtained from marine sources are considered to be a rich and diverse source of potential drugs. In the present work we demonstrate the use of chemoinformatics approach for the design of new molecules inspired by molecules from marine organisms. Accordingly we have assimilated information from two major scientific domains namely chemoinformatics and biodiversity informatics to develop an interactive marine database named MIMMO (Medicinally Important Molecules from Marine Organisms). The database can be queried for species, molecules, scaffolds, drugs, diseases and associated cumulative biological activity spectrum along with links to the literature resources. Molecular informatics analysis of the molecules obtained from MIMMO was performed to study their chemical space. The distinct skeletal features of the biologically active compounds isolated from marine species were identified. Scaffold molecules and species networks were created to identify common scaffolds from marine source and drug space. An analysis of the entire molecular data revealed a unique list of around 2000 molecules from which ten most frequently occurring distinct scaffolds were obtained.
}, keywords = {Chemoinformatics, Drug design, marine, virtual library}, issn = {1386-2073}, doi = {10.2174/1386207318666150703112950}, author = {Karthikeyan, Muthukumarasamy and Nimje, Deepika and Pahujani, Rakhi and Tyagi, Kushal and Bapat, Sanket and Vyas, Renu and Padmakumar, Krishna Pillai} } @article { ISI:000360934400003, title = {ChemScreener: a distributed computing tool for scaffold based virtual screening}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {6}, year = {2015}, month = {JAN}, pages = {544-561}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
In this work we present ChemScreener, a Java-based application to perform virtual library generation combined with virtual screening in a platform-independent distributed computing environment. ChemScreener comprises a scaffold identifier, a distinct scaffold extractor, an interactive virtual library generator as well as a virtual screening module for subsequently selecting putative bioactive molecules. The virtual libraries are annotated with chemophore-, pharmacophore- and toxicophore-based information for compound prioritization. The hits selected can then be further processed using QSAR, docking and other in silico approaches which can all be interfaced within the ChemScreener framework. As a sample application, in this work scaffold selectivity, diversity, connectivity and promiscuity towards six important therapeutic classes have been studied. In order to illustrate the computational power of the application, 55 scaffolds extracted from 161 anti-psychotic compounds were enumerated to produce a virtual library comprising 118 million compounds (17 GB) and annotated with chemophore, pharmacophore and toxicophore based features in a single step which would be non-trivial to perform with many standard software tools today on libraries of this size.
}, keywords = {Scaffold extraction, therapeutic category, virtual library generation, virtual screening}, issn = {1386-2073}, doi = {10.2174/1386207318666150703112242}, author = {Karthikeyan, Muthukumarasamy and Pandit, Deepak and Vyas, Renu} } @article { ISI:000360510700002, title = {Chiral aziridine ring opening: facile synthesis of (R)-modletine and (R)-phenoxybenzamine hydrochloride}, journal = {Tetrahedron Letters}, volume = {56}, number = {38}, year = {2015}, month = {SEP}, pages = {5269-5271}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple and efficient synthesis of chiral drugs (R)-mexiletine 1, an anti-arrhythmic drug and (R)-phenoxybenzamine hydrochloride 2, an anti-hypertensive drug has been described via controlled reductive ring opening of chiral aziridine as a key step. The target compounds 1 and 2 were obtained in overall yields of 34\% and 10.5\%, respectively. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Aziridine, Mexiletine, Phenoxybenzamine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.07.032}, author = {Viswanadh, N. and Velayudham, R. and Jambu, S. and Sasikumar, M. and Muthukrishnan, Murugan} } @article {42634, title = {Chiral pool approach for the synthesis of functionalized amino acids: synthesis of antiepileptic drug (R)-lacosamide}, journal = {Tetrahedron Letters}, volume = {56}, year = {2015}, month = {AUG}, pages = {5802{\textendash}5803}, abstract = {
An efficient total synthesis of (R)-lacosamide 1 has been achieved from N-Boc-N,O-isopropylidene-l-serinol 2 which could easily be obtained from natural l-serine. Our synthesis of 1 starting from 2 using chiral pool strategy resulted in 54\% overall yield.
}, doi = {10.1016/j.tetlet.2015.08.077}, author = {Aratikatla, Eswar K. and Bhattacharya, Asish K.} } @article {45947, title = {Chirality induction and chiron approaches to enantioselective total synthesis of alpha-lipoic acid}, journal = {Tetrahedron}, volume = {71}, year = {2015}, month = {JUN }, pages = {4213-4218}, type = {Article}, abstract = {
An efficient, short and convenient asymmetric synthesis of (R)-(+)-lipoic acid in seven steps from chiral hydroxy aldehyde with 32.5\% overall yield is described. Synthesis of S and R enantiomers of a-lipoic acid from cis-1,4-butene diol derived chiral lactone is reported with 34 \% overall yield. The present synthesis involves use of simple reaction conditions making it a convenient synthesis. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Chiral pool, Chirality induction, enantioselective, Lipoic acid, sharpless asymmetric dihydroxylation}, issn = {0040-4020}, doi = {10.1016/j.tet.2015.04.090}, author = {Chavan, Subhash P. and Pawar, Kailash P. and Praveen, Ch and Patil, Niteen B.} } @article { ISI:000358250800001, title = {Chromerid genomes reveal the evolutionary path from photosynthetic algae to obligate intracellular parasites}, journal = {Elife}, volume = {4}, year = {2015}, month = {JUL}, pages = {Article Number: e06974}, publisher = {ELIFE SCIENCES PUBLICATIONS LTD}, address = {SHERATON HOUSE, CASTLE PARK, CAMBRIDGE, CB3 0AX, ENGLAND}, abstract = {
The eukaryotic phylum Apicomplexa encompasses thousands of obligate intracellular parasites of humans and animals with immense socio-economic and health impacts. We sequenced nuclear genomes of Chromera velia and Vitrella brassicaformis, free-living non-parasitic photosynthetic algae closely related to apicomplexans. Proteins from key metabolic pathways and from the endomembrane trafficking systems associated with a free-living lifestyle have been progressively and non-randomly lost during adaptation to parasitism. The free-living ancestor contained a broad repertoire of genes many of which were repurposed for parasitic processes, such as extracellular proteins, components of a motility apparatus, and DNA-and RNA-binding protein families. Based on transcriptome analyses across 36 environmental conditions, Chromera orthologs of apicomplexan invasion-related motility genes were co-regulated with genes encoding the flagellar apparatus, supporting the functional contribution of flagella to the evolution of invasion machinery. This study provides insights into how obligate parasites with diverse life strategies arose from a once free-living phototrophic marine alga.
}, issn = {2050-084X}, doi = {10.7554/eLife.06974}, author = {Woo, Yong H. and Ansari, Hifzur and Otto, Thomas D. and Klinger, Christen M. and Kolisko, Martin and Michalek, Jan and Saxena, Alka and Shanmugam, Dhanasekaran and Tayyrov, Annageldi and Veluchamy, Alaguraj and Ali, Shahjahan and Bernal, Axel and del Campo, Javier and Cihlar, Jaromir and Flegontov, Pavel and Gornik, Sebastian G. and Hajduskova, Eva and Horak, Ales and Janouskovec, Jan and Katris, Nicholas J. and Mast, Fred D. and Miranda-Saavedra, Diego and Mourier, Tobias and Naeem, Raeece and Nair, Mridul and Panigrahi, Aswini K. and Rawlings, Neil D. and Padron-Regalado, Eriko and Ramaprasad, Abhinay and Samad, Nadira and Tomcala, Ales and Wilkes, Jon and Neafsey, Daniel E. and Doerig, Christian and Bowler, Chris and Keeling, Patrick J. and Roos, David S. and Dacks, Joel B. and Templeton, Thomas J. and Waller, Ross F. and Lukes, Julius and Obornik, Miroslav and Pain, Arnab} } @article {42914, title = {Citrate modified beta-cyclodextrin functionalised magnetite nanoparticles: a biocompatible platform for hydrophobic drug delivery}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {FEB}, pages = {22117-22125}, abstract = {
Water-dispersible magnetite nanoparticles functionalized with citric acid (CIT) modified beta-cyclodextrin (CD) are prepared and curcumin (CUR) is loaded inside the cavity of CD. The CUR loading capacity of CD-CIT functionalized magnetite nanoparticles is found to be much larger than that of CD alone as well as the CD-CIT conjugate. The release profile of curcumin is found to follow zero order kinetics at the physiological pH, and thus, can release CUR at a constant rate, after the initial burst release. Relaxivity studies using NMR showed that the functionalized nanoparticles are suitable for contrast enhancement in MRI. Thus, the water-dispersible, CIT modified beta-CD functionalized magnetite nanofluid is an efficient carrier for water insoluble curcumin, and can be used for magnetic drug targeting/delivery as well as for contrast enhancement in MRI due to the superparamagnetic magnetite core.
}, author = {Jayaprabha, Kunnoth N. and Joy, Pattayil Alias} } @article { ISI:000364504500016, title = {Citreicella manganoxidans sp nov., a novel manganese oxidizing bacterium isolated from a shallow water hydrothermal vent in Espalamaca (Azores)}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {108}, number = {6}, year = {2015}, month = {DEC}, pages = {1433-1439}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A Gram-stain negative, non-motile, non-spore forming, aerobic and rod or narrow lemon-shaped bacterial strain, VSW210(T), was isolated from surface seawater in a shallow water hydrothermal vent region in Espalamaca (Azores). Strain VSW210(T) was found to grow optimally at 30 A degrees C, at pH 7 and in the presence of 2-6 \% (w/v) NaCl. A neighbour-joining phylogenetic tree based on 16S rRNA gene sequences revealed that strain VSW210(T) clusters with the type strain Citreicella marina CK-I3-6(T) (sequence similarity value of 99.6 \%), but DNA-DNA hybridization showed DNA-DNA relatedness between the strain VSW210(T) and C. marina CK-I3-6(T) to be 55.8 +/- A 3.2 \%. The DNA G+C content of strain VSW210(T) was determined to be 67.4 mol\%. The cellular fatty acid profiles of strain VSW210(T) was found to contain C-18:1 omega 7c (80.1 \%) and C-16:0 (9.2 \%). The major polar lipids in strain VSW210(T) were identified as phosphatidylcholine, phosphatidylethanolamine, phosphatidylglycerol, diphosphatidylglycerol and an unidentified phospholipid. Strain VSW210(T) was found to be able to oxidize soluble Mn(II) to insoluble MnO2, which was confirmed with LBB staining. Differential phenotypic properties and genetic uniqueness revealed that this strain VSW210(T) is distinguishable from other species of the genus Citreicella. On the basis of the data presented, strain VSW210(T) is considered to represent a novel species of the genus Citreicella, for which the name Citreicella manganoxidans sp. nov. is proposed. The type strain is VSW210(T) (=KCTC 32497(T) = MCC 2286(T)).
}, keywords = {Azores, Citreicella manganoxidans sp nov, Hydrothermal vent, Polyphasic taxonomy, Seawater}, issn = {0003-6072}, doi = {10.1007/s10482-015-0597-x}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Dastager, Syed Gulam and Liu, Qing and Li, Wen-Jun and Colaco, Ana} } @article {42632, title = {Clerodane type diterpene as a novel antifungal agent from polyalthia longifolia var. pendula}, journal = {European Journal of Medicinal Chemistry}, volume = {94}, year = {2015}, month = {FEB}, pages = {1{\textendash}7}, abstract = {
Bioactivity-guided chemical examination of methanolic extract of leaves of Polyalthia longifolia var. pendula led to the isolation of the active constituent, a diterpene 1 which was identified as 16α-hydroxycleroda-3,13(14)Z-dien-15,16-olide on the basis of its spectral data. Among the tested strains, diterpene 1 was found to exhibit antifungal activities having MIC90 values of 50.3, 100.6 and 201.2 μM against Candida albicans NCIM3557, Cryptococcus neoformans NCIM3542 (human pathogens) and Neurospora crassa NCIM870 (saprophyte), respectively. Initial, structure{\textendash}activity-relationship (SAR) data generated by synthesizing some derivatives revealed that the double bond between C3{\textendash}C4 and the free hydroxyl group at C16 are crucial for the antifungal activity of the diterpene 1. The mode of action of 1 in C. albicans is due to compromised cell membrane permeability and also probably due to disruption of cell wall structures. The red blood cell haemolysis of all the compounds (1{\textendash}4) did not show any significant haemolysis and was found to be less than 15\% for all the compounds when tested at highest concentration, i.e. 1200 μM. Interestingly, all the tested compounds inhibited Y{\textendash}H transition in dimorphic C. albicans NCIM3557 at much lower concentration than their MIC90 values. Determination of ROS generation by diterpene 1 using DCFH-DA and DHR123 (dihydrorhodamine) staining of C. albicans NCIM3557 indicated production of intracellular ROS as a mechanism of antifungal activity.
}, keywords = {Diterpene; Polyalthia longifolia; Isolation; Flash chromatography; Natural products; Antifungal activity}, doi = {10.1016/j.ejmech.2015.02.054}, author = {Bhattacharya, Asish K. and Chand, Hemender R. and John, Jyothis and Deshpande, Mukund V.} } @article { ISI:000352745300007, title = {Cloning, expression and in silico studies of a serine protease from a marine actinomycete (Nocardiopsis sp NCIM 5124)}, journal = {Process Biochemistry}, volume = {50}, number = {3}, year = {2015}, month = {MAR}, pages = {378-387}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A serine protease (N. protease), from Nocardiopsis sp., was cloned and expressed in Escherichia coli and investigated for its potential kinetic stability. Protein expression using two vectors, pET-22b (+) and pET-39b (+) was compared based on proper folding and soluble expression of the protein. pET-39b (+) was found to be a better vector for soluble expression of this protease containing disulfide bonds. In silico studies were also carried out for N. protease. Homology modeling suggested N. protease to be a member of PA clan of proteases. The phylogenetic analysis showed relatedness of N. protease to kinetically stable proteases. Molecular docking studies performed exhibited interaction of a peptide substrate with catalytic pocket of the enzyme. High temperature MD simulations were performed on N. protease to study its unfolding behavior and comparisons were made with alpha LP. A novel approach to study {\textquoteleft}cooperativity{\textquoteright} of protein unfolding was undertaken, wherein {\textquoteleft}P{\textquoteright} value analysis based on phi and psi values of the protein was performed. Data showed sharper P value transition for alpha LP when compared to N. protease thus indicating relatively less kinetic stability of N. protease. Present study holds significance as the non-streptomycete actinomycetes group is least explored and ensures industrially important enzymes with exceptional stabilities. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Actinomycetes, Cloning and expression, Kinetic stability, Protease, Thermal simulation}, issn = {1359-5113}, doi = {10.1016/j.procbio.2014.12.025}, author = {Rohamare, Sonali and Gaikwad, Sushama M. and Jones, Dafydd and Bhavnani, Varsha and Pal, Jayanta and Sharma, Ranu and Chatterjee, Prathit} } @article { ISI:000356537400001, title = {Co3O4 nanorods-efficient non-noble metal electrocatalyst for oxygen evolution at neutral pH}, journal = {Electrocatalysis}, volume = {6}, number = {4}, year = {2015}, month = {JUL}, pages = {331-340}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {1868-2529}, doi = {10.1007/s12678-015-0263-0}, author = {Ramsundar, Rani M. and Debgupta, Joyashish and Pillai, Vijayamohanan K. and Joy, Pattayil Alias} } @article { ISI:000360404400089, title = {Cobalt ferrite nanoparticles: a magnetically separable and reusable catalyst for Petasis-Borono-Mannich reaction}, journal = {RSC Advances}, volume = {5}, number = {86}, year = {2015}, month = {AUG}, pages = {70586-70594}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Magnetically separable cobalt ferrite nanoparticles (CoFe2O4, NPS) have been demonstrated for the first time as an efficient catalyst in Petasis-Borono-Mannich (PBM) reaction between salicylaldehydes, sec. amines and aryl boronic acids to furnish alkylaminophenols in high yields. Relatively shorter reaction times, easy purification of the products and reusability of the catalyst for five consecutive runs without appreciable loss in it{\textquoteright}s activity are the noteworthy features of the developed protocol.
}, issn = {2046-2069}, doi = {10.1039/c5ra10693a}, author = {Kulkarni, Aparna M. and Pandit, Kapil S. and Chavan, Pramod V. and Desai, Uday V. and Wadgaonkar, Prakash P.} } @article { ISI:000349500400006, title = {Co-catalyzed two-stereocentered hydrolytic kinetic resolution: application to the synthesis of yashabushidiols A and B and the lactone unit of compactin and mevinolin}, journal = {Tetrahedron-Asymmetry}, volume = {26}, number = {2-3}, year = {2015}, month = {FEB}, pages = {118-123}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short and efficient enantioselective synthesis of yashabushidiols A and B and the beta-hydroxy-delta-lactone moiety of compactin and mevinolin with high enantiomeric purity (98\% ee) is described starting from commercially available materials. The strategy mainly comprises of iodine-induced intramolecular electrophilic addition of a carbonate occurring in a highly diastereoselective fashion and the Co-catalyzed two-stereocentered hydrolytic kinetic resolution of a functionalized epoxide as the chiral inducing step. (C) 2014 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2014.12.006}, author = {Gadakh, Sunita K. and Sudalai, Arumugam} } @article { ISI:000350614400029, title = {Cocrystallization of 2,3-dihydroxynaphthalene with its para-, meta-, and ortho-ditoluates: insight into cocrystal formation and clues for the construction of supramolecular assemblies capable of intermolecular acyl group transfer reactivity}, journal = {Crystal Growth \& Design}, volume = {15}, number = {3}, year = {2015}, month = {MAR}, pages = {1226-1232}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
2,3-Dihydroxynaphthalene forms 2:1 cocrystals with its p-ditoluate and 1:1 cocrystals with its m-ditoluate but not with the o-ditoluate. In 2:1 cocrystals of the p-ditoluate, naphthalene diol molecules form a dimeric motif through OH...O hydrogen bonding interactions. The adjacent dimers sandwich the molecules of p-ditoluate through C-H...pi interactions. In 1:1 cocrystals of the m-ditoluate, naphthalene diol molecules generate a zigzag pattern through O-H...O hydrogen bonding interaction involving -OH of the diol and the C=O of the m-ditoluate. Intermolecular toluoyl group transfer reaction was more facile in cocrystals of the p-ditoluate as compared to cocrystals of the m-ditoluate. This difference in reactivity is consistent with the relative geometry of the electrophile (El, C-O) and the nucleophile (Nu, OH) in these cocrystals. A comparison of the cocrystallization behavior and structure of the two cocrystals with their constituents suggests that the position of the methyl group is crucial for cocrystal formation. A survey of the CSD revealed that the incidence of polymorphism and cocrystals formation decreases (number of hits) in the order para- \> ortho- \> meta- for disubstituted benzene derivatives. This suggests that compounds prone to exhibit polymorphism have more propensities to form cocrystals as compared to those that resist polymorphism. This information could be useful while selecting cocrystal formers and construction of supramolecular functional assemblies with desired properties.
}, issn = {1528-7483}, doi = {10.1021/cg501620g}, author = {Tamboli, Majid I. and Bahadur, Vir and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000355638100042, title = {Coherent fusion of water array and protonated amine in a metal-sulfate-based coordination polymer for proton conduction}, journal = {Inorganic Chemistry}, volume = {54}, number = {11}, year = {2015}, month = {JUN}, pages = {5366-5371}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new function of metal-sulfate-based co-ordination polymer (CP) for proton,conduction Was investigated through rational integration of a continuous water array and protonated amine in the coordination space of the CP. The H-bonded arrays of watet molecules along with nitrogen-rich aromatic cation (protonated melamine) facilitate proton conduction in the compound under humid conditions. Although several reports of metal-oxalate/phosphate-based CPs showing proton conduction are known, this is the first designed synthesis of a metal sulfate-based CP bearing-Water arrays functioning as a solid-state proton conductor:
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b00416}, author = {Manna, Biplab and Anothumakkool, Bihag and Desai, Aamod V. and Samanta, Partha and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article {45883, title = {Colossal increase in negative magnetization, exchange bias and coercivity in samarium chromite due to a strong coupling between Sm3+-Cr3+ spins sublattices}, journal = {Journal of Physics D-Applied Physics}, volume = {48}, year = {2015}, month = {JAN }, pages = {025004}, type = {Article}, abstract = {
We report giant temperature dependent negative magnetization (magnetization reversal) along with a large exchange bias and large coercivity in SmCrO3. The static magnetization measurements show the negative magnetization below similar to 192 K, due to competition between the external field, thermal activation energy and antiparallel Sm3+-Cr3+ spin interaction. At further lower temperatures, Sm3+ spins show an increased alignment due to the internal induced field of Cr3+ spins with minimum magnetization similar to - 0.037 emu g(-1). The temperature dependent exchange bias shows non-monotonic behavior. At 35 K, the exchange bias ceases to exist due to the orientation of Sm3+ moments with respect to canted Cr3+ moments. The crossover temperature decreases from similar to 191 K at 100 Oe to similar to 153 K at 250 Oe. The training effect further confirms the exchange bias in SmCrO3. The dynamic magnetization measurements exhibit anomalies around spin reorientation transition (T-SR similar to 34 K) and Neel transition (T-N similar to 192 K) which is consistent with static measurement and no frequency dependence was observed. The room temperature Raman spectra of SmCrO3 show peaks at similar to 364, similar to 375 and similar to 456 cm(-1) suggesting O-Cr-O bending modes within the octahedral.
}, keywords = {exchange bias, multiferroics etc, negative magnetization, samarium chromite, spin reorientation}, issn = {0022-3727}, doi = {10.1088/0022-3727/48/2/025004}, author = {Gupta, Preeti and Bhargava, Richa and Poddar, Pankaj} } @article { ISI:000357498200004, title = {Combined experimental and theoretical study of the structural, electronic and vibrational properties of bulk and few-layer Td-WTe2}, journal = {Journal of Physics-Condensed Matter}, volume = {27}, number = {28}, year = {2015}, month = {JUL}, pages = {285401}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
The recent discovery of non-saturating giant positive magnetoresistance has aroused much interest in Td-WTe2. We have investigated structural, electronic and vibrational properties of bulk and few-layer Td-WTe2 experimentally and theoretically. Spin-orbit coupling is found to govern the semi-metallic character of Td-WTe2 and its structural link with the metallic 1 T form provides an understanding of its structural stability. There is a metal-to-insulator switch-over in the electrical conductivity and a change in the sign of the Seebeck coefficient around 373 K. Lattice vibrations of Td-WTe2 have been analyzed using first-principles calculations. Out of the 33 possible zone-center Raman active modes, five distinct Raman bands are observed around 112, 118, 134, 165 and 212 cm(-1) in bulk Td-WTe2. Based on symmetry analysis and calculated Raman tensors, we assign the intense bands at 165 cm(-1) and 212 cm(-1) to the A(1){\textquoteright} and A(1){\textquoteright}{\textquoteright} modes, respectively. Most of the Raman bands stiffen with decreasing thickness, and the ratio of the integrated intensities of the A(1){\textquoteright}{\textquoteright} to A(1){\textquoteright} bands decreases in the few-layer sample, while all the bands soften in both the bulk and few-layer samples with increasing temperature.
}, keywords = {Raman spectroscopy, Td-structure, tungsten ditelluride}, issn = {0953-8984}, doi = {10.1088/0953-8984/27/28/285401}, author = {Jana, Manoj K. and Singh, Anjali and Late, Dattatray J. and Rajamathi, Catherine R. and Biswas, Kanishka and Felser, Claudia and Waghmare, Umesh V. and Rao, C. N. R.} } @article { ISI:000357192200003, title = {Compact polar moieties induce lipid-water systems to form discontinuous reverse micellar phase}, journal = {Soft Matter}, volume = {11}, number = {27}, year = {2015}, month = {MAY}, pages = {5417-5424}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The role of molecular interactions in governing lipid mesophase organization is of fundamental interest and has technological implications. Herein, we describe an unusual pathway for monoolein/water reorganization from a bicontinuous mesophase to a discontinuous reverse micellar assembly, directed by the inclusion of polar macromolecules. This pathway is very different from those reported earlier, wherein the Fd3m phase formed only upon addition of apolar oils. Experiments and molecular dynamics simulations indicate that hydrophilic ternary additives capable of inducing discontinuous phase formation must (i) interact strongly with the monoolein head group and (ii) have a compact molecular architecture. We present a detailed investigation that contrasts a monoolein-water system containing polyamidoamine (PAMAM) dendrons with one containing their linear analogs. The Fd3m phase forms only on the addition of PAMAM dendrons but not their linear analogs. Thus, the dendritic architecture of PAMAM plays an important role in determining lipid mesophase behavior. Both dendrons and their linear analogs interact strongly with monoolein through their amine groups. However, while linear polymers adsorb and spread on monoolein, dendrons form aggregates that interact with the lipid. Dendrons induce formation of an intermediate reverse hexagonal phase, which subsequently restructures into the Fd3m phase. Finally, we demonstrate that other additives with compact structures that are known to interact with monoolein, such as branched polyethylenimine and polyhedral silsesquioxane cages, also induce the formation of the Fd3m phase.
}, issn = {1744-683X}, doi = {10.1039/c5sm00854a}, author = {Kumar, Manoj and Patil, Naganath G. and Choudhury, Chandan Kumar and Roy, Sudip and Ambade, Ashootosh V. and Kumaraswamy, Guruswamy} } @article { ISI:000362388700006, title = {Comparison of codon usage bias across leishmania and trypanosomatids to understand mRNA secondary structure, relative protein abundance and pathway functions}, journal = {Genomics}, volume = {106}, number = {4}, year = {2015}, month = {OCT}, pages = {232-241}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Understanding the variations in gene organization and its effect on the phenotype across different Leishmania species, and to study differential clinical manifestations of parasite within the host, we performed large scale analysis of codon usage patterns between Leishmania and other known Trypanosomatid species. We present; the causes and consequences of codon usage bias in Leishmania genomes with respect to mutational pressure, translational selection and amino acid composition bias. We establish GC bias at wobble position that governs codon usage bias across Leishmania species, rather than amino acid composition bias. We found that, within Leishmania, homogenous codon context coding for less frequent amino acid pairs and codons avoiding formation of folding structures in mRNA are essentially chosen. We predicted putative differences in global expression between genes belonging to specific pathways across Leishmania. This explains the role of evolution in shaping the otherwise conserved genome to demonstrate species-specific function-level differences for efficient survival. (C) 2015 Elsevier Inc. All rights reserved.
}, keywords = {Amino acid bias, Base composition, Codon usage bias, Leishmania, Mutation, Selection bias, Species specificity}, issn = {0888-7543}, doi = {10.1016/j.ygeno.2015.05.009}, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article { ISI:000348650000002, title = {Comparison of human cell signaling pathway databases-evolution, drawbacks and challenges}, journal = {Database-the Journal of Biological Databases and Curation}, year = {2015}, month = {JAN}, pages = {Article Number: bau126}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {
Elucidating the complexities of cell signaling pathways is of immense importance to gain understanding about various biological phenomenon, such as dynamics of gene/protein expression regulation, cell fate determination, embryogenesis and disease progression. The successful completion of human genome project has also helped experimental and theoretical biologists to analyze various important pathways. To advance this study, during the past two decades, systematic collections of pathway data from experimental studies have been compiled and distributed freely by several databases, which also integrate various computational tools for further analysis. Despite significant advancements, there exist several drawbacks and challenges, such as pathway data heterogeneity, annotation, regular update and automated image reconstructions, which motivated us to perform a thorough review on popular and actively functioning 24 cell signaling databases. Based on two major characteristics, pathway information and technical details, freely accessible data from commercial and academic databases are examined to understand their evolution and enrichment. This review not only helps to identify some novel and useful features, which are not yet included in any of the databases but also highlights their current limitations and subsequently propose the reasonable solutions for future database development, which could be useful to the whole scientific community.
}, issn = {1758-0463}, doi = {10.1093/database/bau126}, author = {Chowdhury, Saikat and Sarkar, Ram Rup} } @article { ISI:000348245000002, title = {Comprehensive study on the effect of acid additives in 1(R),2(R)-Bis[(S)-prolinamido]cyclohexane catalyzed direct asymmetric aldol reactions in aqueous media}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {54}, number = {1}, year = {2015}, month = {JAN}, pages = {84-92}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
The catalytic efficacy of (1R,2R)-bis[(S)-prolinamido]cyclohexane 1, prepared from the readily available natural amino acid L-proline has been studied for the direct asymmetric aldol reaction of cyclohexanone with substituted benzaldehydes at room temperature in presence of various acid additives. A wide variety of acids e.g. aliphatic fatty acid, chiral acid, sulphonic acid, aromatic acid, etc. have been used as additive for the aldol reaction in aqueous media. A loading of 10 mol\% of catalyst 1 is employed in this reaction, and good yields (up to 98\% yield), diastereoselectivity (up to 96\% de) and enantioselectivities (up to 87\% ee) can be achieved in aqueous media within very short reaction time (1-4 hours).
}, keywords = {acid additives, aqueous media, Asymmetric synthesis, direct aldol reaction, organocatalysis}, issn = {0376-4699}, author = {Bhowmick, Sudipto and Kunte, Sunita S. and Bhowmick, Kartick C.} } @article { ISI:000356520400003, title = {Computational strategies for understanding the nature of interaction in dioxin imprinted nanoporous trappers}, journal = {Journal of Molecular Recognition}, volume = {28}, number = {7}, year = {2015}, month = {JUL}, pages = {427-437}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A new computational model capable of understanding the nature of interactions in signature complexes formed between the template(2,3,7,8-tetrachlorodibenzo-p dioxin (TCDD)) and the functional monomers (methacrylic acid (MAA)) using density functional theory (DFT) has been designed. The polymer precursors were optimized for geometries in polymerization media, computing the interaction energies between template molecules and functional monomers of transient pre-polymerized complexes (PPC), and structural and vibrational properties reference to theoretical infrared spectra were computed using DFT of B3LYP/6 311+G(d,p) hybrid functional method. Atom in molecule theory was used to analyze the hydrogen-bonding characteristics of PPC of MAA-TCDD. Considering the theoretical titrations conducted in a virtual solvent box, it was found that the 1:4 molar ratio was required to form the most stable PPC in a given solvent system. The electron density plots indicate strong hydrogen bonding as shown by the 2pz dominant highest occupied molecular orbital (HOMO) character that could be the preferable sites of binding for target molecule, TCDD. Considering HOMO approach, the active adsorption sites in molecularly imprinted polymer was modeled to get insight on molecular recognition property for targeted molecule, TCDD. The proposed computational protocol is simple, accurate, and novel to design the polymer and is useful to predict the properties of polymer systems than the conventional theoretical analysis of template-monomer interactions. Copyright (c) 2015 John Wiley \& Sons, Ltd.
}, keywords = {carcinogenic pollutants, computer simulations, Density Functional Theory (DFT), intermolecular interactions, Molecularly Imprinted Polymers (MIP)}, issn = {0952-3499}, doi = {10.1002/jmr.2459}, author = {Khan, Muntazir S. and Pal, Sourav and Krupadam, Reddithota J.} } @article { ISI:000349943000006, title = {Computational study of metal free alcohol dehydrogenation employing frustrated lewis pairs}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {4}, year = {2015}, month = {FEB}, pages = {2081-2091}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The catalysis of acceptorless alcohol dehydrogenation (AAD) is an important area of research. Transition metal-based systems are known to be effective catalysts for this reaction, but developing metal free catalytic systems would lead to highly desirable cheaper and greener alternatives. With this in mind, this computational study investigates design strategies than can lead to metal free frustrated Lewis pairs (FLPs) that can be employed for AAD catalysis. A careful study of 36 different proposed FLP candidates reveals that several new FLPs can be designed from existing, experimentally synthesized FLPs that can rival or be even better than state-of-the-art transition metal-based systems in catalyzing the alcohol dehydrogenation process.
}, issn = {0022-3263}, doi = {10.1021/jo5023052}, author = {Mane, Manoj V. and Rizvi, Masood A. and Vanka, Kumar} } @article {45932, title = {Concise enantioselective synthesis of (2S,3S)-3-hydroxypipecolic acid via proline catalyzed alpha-aminooxylation of aldehydes and Pd-catalyzed ether directed aza-Claisen rearrangements}, journal = {Tetrahedron-Asymmetry}, volume = {26}, year = {2015}, month = {JAN }, pages = {24-28}, type = {Article}, abstract = {
An efficient approach to (2S,3S)-3-hydroxypipecolic acid with an overall yield of 10.2\% and 98\% ee starting from 1,5-pentanediol has been developed. The key steps employed in the synthesis are the D-proline catalyzed sequential alpha-aminooxylation/Horner-Wadsworth-Emmons olefination of an aldehyde and the Pd-catalyzed MOM-ether directed aza-Claisen rearrangement of an allylic trichloroacetimidate. (C) 2014 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2014.11.010}, author = {Ahuja, Brij Bhushan and Sudalai, Arumugam} } @article { ISI:000353085000004, title = {Concise enantioselective synthesis of marine macrolide-stagonolide E via organocatalysis}, journal = {Tetrahedron-Asymmetry}, volume = {26}, number = {7}, year = {2015}, month = {APR}, pages = {344-349}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short and efficient enantioselective synthesis of marine macrolide stagonolide E in high enantiomeric purity (98\% ee and 8.5\% overall yield) starting from commercially available raw materials has been achieved. The strategy involves proline catalyzed sequential alpha-aminooxylation and Horner-Wadsworth-Emmons olefination, highly stereoselective Ando{\textquoteright}s cis-olefination, and modified Yamaguchi macrolactonization as the key reaction steps. (C) 2015 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2015.03.001}, author = {Dey, Soumen and Sudalai, Arumugam} } @article { ISI:000354982900007, title = {Concise enantioselective synthesis of naturally active (S)-3-hydroxypiperidine}, journal = {Synthetic Communications}, volume = {45}, number = {13}, year = {2015}, month = {APR}, pages = {1559-1565}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
A short and efficient enantioselective synthesis of natural product (S)-3-hydroxypiperidine has been achieved starting from commercially available raw materials employing two catalytic routes: (i) cocatalyzed hydrolytic kinetic resolution (HKR) of racemic methyl-3-(oxiran-2-yl)propanoate; (ii) proline-catalyzed -aminooxylation followed by Horner-Wardsworth-Emmons olefination in high enantiomeric purity (97\% ee) and high overall yield (38\%).
}, keywords = {Asymmetric synthesis, bioactivity, Enantioselectivity, Natural products, organocatalysis}, issn = {0039-7911}, doi = {10.1080/00397911.2015.1033428}, author = {Dey, Soumen and Karabal, Pratibha U. and Sudalai, Arumugam} } @article {45938, title = {Concise enantioselective synthesis of (R)-selegiline, (S)-benzphetamine and formal synthesis of (R)-sitagliptin via electrophilic azidation of chiral imide enolates}, journal = {Tetrahedron-Asymmetry}, volume = {26}, year = {2015}, month = {JAN}, pages = {67-72}, type = {Article}, abstract = {
A concise and high yielding enantioselective synthesis of (R)-selegiline, an anti-Parkinson{\textquoteright}s drug, (S)-benzphetamine, an anti-obesity agent, and (S)-sitagliptin, an anti-diabetic drug has been described starting from commercially available starting materials employing Evans{\textquoteright} electrophilic azidation of chiral imide enolates as a key chiral inducing step, which proceeds in a highly diastereoselective manner (\>99\%). (C) 2014 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2014.11.014}, author = {Dey, Soumen and Sudalai, Arumugam} } @article { ISI:000360112400004, title = {Concise synthesis of (+/-)-clopidogrel via carboxylation of benzylamine with CO2}, journal = {Synthetic Communications}, volume = {45}, number = {18}, year = {2015}, month = {JUN}, pages = {2099-2105}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
A concise and efficient synthesis of (+/-)-clopidogrel, an antithrombotic agent, is achieved by inserting CO2 at the benzylic position as the key reaction without using any toxic transition metals. The overall yield of the synthetic process is 38\% and the salient features include operationally simple process chemistry and fewer steps.
}, keywords = {Antithrombatic agent, clopidogrel, CO2 insertion, Plavix}, issn = {0039-7911}, doi = {10.1080/00397911.2015.1061671}, author = {Venkataramasubramanian, V. and Sudalai, Arumugam} } @article { ISI:000349401300020, title = {Conformational modulation of peptides using beta-amino benzenesulfonic acid ((S)Ant)}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {7}, year = {2015}, month = {DEC}, pages = {2087-2091}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This communication describes the utility of a conformationally restricted aromatic beta-amino acid (2-aminobenzenesulfonic acid, (S)Ant) inducing various folding interactions in short peptides. Sandwiching (S)Ant between diverse amino acid residues was shown to form robust folded architectures featuring a variety of H-bonded networks, suggesting its utility in inducing peptide folding.
}, issn = {1477-0520}, doi = {10.1039/c4ob02421d}, author = {Priya, Gowri and Kotmale, Amol S. and Chakravarty, Debamitra K. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000364613700010, title = {Construction and structural diversity of Cd-MOFs with pyrazole based flexible ligands and positional isomer of naphthalenedisulfonate}, journal = {Inorganic Chemistry Communications}, volume = {61}, year = {2015}, month = {NOV}, pages = {35-40}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In the present communication, we have reported the construction of a series of Cd(II)-MOFs using conformationally flexible ligand (CFL); 3,3{\textquoteright},5,5{\textquoteright}-tetramethy1-4,4{\textquoteright}-bipyrazolyl (H(2)BPz), flexible bent ligand (FBL); methylenebis-(3,5-dimethylpyrazole) (H(2)MBPz) and positional isomer of naphthalene disulfonic acid salt ligands (1,5-NDS, 2,6-NDS). By using these ligands, four new coordination polymers namely [Cd(H(2)MBPz)(2) center dot 1,5-NDSA](n) (NDS-MOF-1), [Cd(H(2)BPz)center dot 1,5-NDSA](n) (NDS-MOF-2), {[Cd(H(2)MBPz)(2)](2+)center dot 2,6-NDSA(2-)}(n), (NDS-MOF-3) and {[Cd(H(2)BPz)(2)](2+).2,6-NDSA(n)(2-}) (NDS-MOF-4) have been synthesized. The crystal structure analysis revealed that the employment of positional isomeric naphthalene disulfonic acid salts resulted in different architectures ranging from one dimensional chain to two dimensional grid network and further connected into a three dimensional supramolecular structure through intermolecular hydrogen bonds, pi center dot center dot center dot pi and C-H center dot center dot center dot pi interactions. In addition, the photophysical properties and thermal stability studies for all the NDS-M0F5 1-4 were also investigated. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Cadmium(II), Conformation, coordination polymers, Naphthalenedisulfonate, Photophysical properties, thermal stability}, issn = {1387-7003}, doi = {10.1016/j.inoche.2015.08.009}, author = {Singh, Udai P. and Singh, Neetu and Chandra, Suman} } @article { ISI:000361085800009, title = {Construction of polynuclear lanthanide (Ln = Dy-III, Tb-III, and Nd-III) cage complexes using pyridine-pyrazole-based ligands: versatile molecular topologies and smm behavior}, journal = {Inorganic Chemistry}, volume = {54}, number = {17}, year = {2015}, month = {SEP}, pages = {8197-8206}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Employment of two different pyridyl pyrazolyl-based ligands afforded three octanudear lanthanide(III) (Ln = Dy, Tb) cage compounds and one hexanudear neodymium(III) coordination cage, exhibiting versatile molecular architectures including a butterfly core. Relatively less common semirigid pyridyl pyrazolyl-based asymmetric ligand systems show an interesting trend of forming polynuclear lanthanide cage complexes with different coordination environments around the metal centers. It is noteworthy here that construction of lanthanide complex itself is a challenging task in a ligand system as soft N-donor rich as pyridyl pyrazol. We report herein some lanthanide complexes using ligand containing only one or two O-donors compare to five N-coordinating sites. The resultant multinuclear lanthanide complexes show interesting magnetic and spectroscopic features originating from different spatial arrangements of the metal ions. Alternating current (ac) susceptibility measurements of the two dysprosium complexes display frequency- and temperature-dependent out-of-phase signals in zero and 0.5 T direct current field, a typical characteristic feature of single-molecule magnet (SMM) behavior, indicating different energy reversal barriers due to different molecular topologies. Another aspect of this work is the occurrence of the not-so-common SMM behavior of the terbium complex, further confirmed by ac susceptibility measurement.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b00334}, author = {Bala, Sukhen and Sen Bishwas, Mousumi and Pramanik, Bhaskar and Khanra, Sumit and Fromrn, Katharina M. and Poddar, Pankaj and Mondal, Raju} } @article { ISI:000349726500017, title = {Continuous precipitation of calcium carbonate using sonochemical reactor}, journal = {Ultrasonics Sonochemistry}, volume = {24}, year = {2015}, month = {MAY}, pages = {132-139}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The continuous production of calcium carbonate (CaCO3) by precipitation method at room temperature was carried out in a stirred reactor under ultrasonic environment and was compared with the conventional stirring method. The effect of various operating parameters such as Ca(OH)(2) slurry concentration, CO2 flow rate and Ca(OH)(2) slurry flow rate on the particle size of CaCO3 was investigated. The calcium carbonate particles were characterized by Fourier transform infrared (FTIR), wide angle X-ray diffraction (WXRD) and particle size. The morphology was studied by using scanning electron microscopic (SEM) images. The particle size obtained in the presence of ultrasonic environment was found to be smaller as compared to conventional stirring method. The particle size is found to be reduced with an increase in the concentrations of Ca(OH)(2) and increased with increasing CO2 flow rate for both the methods. The slurry flow rate had a major effect on the particle size and the particle size decreased with increased slurry flow rate. Only calcite phase of CaCO3 was predominantly present as confirmed by the characterization techniques for both the preparation methods. In most of the cases rhombohedral calcite particles were observed. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Calcite, Crystal growth, Morphology, Nucleation, Particle size, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2014.12.003}, author = {Shirsath, S. R. and Sonawane, S. H. and Saini, D. R. and Pandit, A. B.} } @article { ISI:000361866400009, title = {Continuous-flow nitration of o-xylene: effect of nitrating agent and feasibility of tubular reactors for scale-up}, journal = {Organic Process Research \& Development}, volume = {19}, number = {9, SI}, year = {2015}, month = {SEP}, pages = {1138-1147}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Continuous-flow nitration of o-xylene has been studied with different nitrating agents over a wide range of conditions for different parameters such as temperature, residence time, and concentrations. A nitrating mixture comprising sulfuric acid and fuming nitric acid was seen to yield higher selectivity for the isomer 1,2-dimethyl-3-nitrobenzene over the isomer 1,2-dimethyl-4-nitrobenzene and also a non-negligible quantity of dinitro derivatives of o-xylene. With only fuming nitric acid as the nitrating agent, the reaction was selective for 1,2-dimethyl-4-nitrobenzene over 1,2-dimethyl-3-nitrobenzene. Impurities mainly come from nitration of mononitro derivatives, and this occurs more from nitration of the 3-nitro isomer because of its higher reactivity with nitric acid. An economic analysis of the continuous-flow reactor for the production of 1,2-dimethyl-4-nitrobenzene at 100 and 500 kg/h in a jacketed tubular reactor showed that numbering-up is a more economical approach for higher production capacity. A combination of large- and small-sized tubes depending upon the relative rates of heat generation during a reaction will achieve more profit and a shorter payback period than having the entire reactor made of a single tube size.
}, issn = {1083-6160}, doi = {10.1021/acs.oprd.5b00064}, author = {Sharma, Y. and Joshi, Ramesh A. and Kulkarni, A. A.} } @article { ISI:000361677200008, title = {Controlled micellar disassembly of photo- and pH-cleavable linear-dendritic block copolymers}, journal = {Polymer Chemistry}, volume = {6}, number = {38}, year = {2015}, month = {AUG}, pages = {6826-6835}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A linear-dendritic block copolymer with both photo-and pH-cleavable linkages at the junction between the hydrophobic dendron and hydrophilic linear polymer was synthesised. The photocleavable o-nitrobenzyl group attached to alkyne was introduced at the focal point of polyester dendron and acid-degradable acetal linkage with terminal azide was introduced at one end of linear polyethylene glycol. The two segments were connected using click chemistry. The copolymer was found to self-assemble into micelle-like aggregates in dilute aqueous solution. Stimuli-responsive disassembly of the aggregates was studied by monitoring fluorescence emission of the encapsulated hydrophobic dye and dynamic light scattering (DLS). Products of acetal cleavage at acidic pH were analyzed by gel permeation chromatography and NMR spectroscopy. The photo and pH stimuli were applied separately as well as simultaneously to study the rate of dye release. The synergistic effect of the two stimuli on dye release was demonstrated and the non-cytotoxic nature of the polymer was shown using the MTT assay. Cell uptake of DOX-loaded micelles and photo-induced release of the drug resulting in significantly higher cytotoxicity than by free DOX was demonstrated using MDA-MB-231 cells.
}, issn = {1759-9954}, doi = {10.1039/c5py00792e}, author = {Kalva, Nagendra and Parekh, Nimisha and Ambade, Ashootosh V.} } @inbook {42953, title = {Conversion of biomass into sugars}, booktitle = {Biomass sugars for non-fuel applications}, year = {2015}, pages = {1-53}, publisher = {Royal Society of Chemistry}, organization = {Royal Society of Chemistry}, chapter = {1}, address = {Cambridge, UK}, doi = {10.1039/9781782622079}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant and Dmitry, Murzin and Olga, Simakova} } @article { ISI:000365217600004, title = {Conversion of concentrated sugar solutions into 5-hydroxymethyl furfural and furfural using Bronsted acidic ionic liquids}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {12}, year = {2015}, month = {SEP}, pages = {5086-5090}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Catalytic amounts of recyclable Bronsted acidic ionic liquids (BAILs) yielded HMF (73\%) and furfural (81\%) with high selectivity from highly concentrated solutions of D-fructose (40 wt\%) and D-xylose (3 wt\%), respectively. With a 6 wt\% D-xylose solution, 73\% yield was observed. An activity-property correlation of BAIL is established.
}, issn = {2044-4753}, doi = {10.1039/c5cy00858a}, author = {Matsagar, Babasaheb M. and Munshi, Mudassir K. and Kelkar, Ashutosh A. and Dhepe, Paresh Laxmikant} } @article { ISI:000361828000068, title = {Conversion of dried aspergillus candidus mycelia grown on waste whey to biodiesel by in situ acid transesterification}, journal = {Bioresource Technology}, volume = {197}, year = {2015}, month = {DEC}, pages = {502-507}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
This study reports optimization of the transesterification reaction step on dried biomass of an oleaginous fungus Aspergillus candidus grown on agro-dairy waste, whey. Acid catalyzed transesterification was performed and variables affecting esterification, viz., catalyst methanol and chloroform concentrations, temperature, time, and biomass were investigated. Statistical optimization of the transesterification reaction using Plackett-Burman Design showed biomass to be the predominant factor with a 12.5-fold increase in total FAME from 25.6 to 320 mg. Studies indicate that the transesterification efficiency in terms of conversion is favored by employing lower biomass loadings. A. candidus exhibited FAME profiles containing desirable saturated (30.2\%), monounsaturated (31.5\%) and polyunsaturated methyl esters (38.3\%). The predicted and experimentally determined biodiesel properties (density, kinematic viscosity, iodine value, cetane number, TAN, water content, total and free glycerol) were in accordance with international (ASTM D6751, EN 14214) and national (IS 15607) standards. (C) 2015 Published by Elsevier Ltd.
}, keywords = {Aspergillus candidus, Biodiesel, In situ acid transesterification, Plackett-Burman Design, Whey}, issn = {0960-8524}, doi = {10.1016/j.biortech.2015.07.118}, author = {Kakkad, Hardik and Khot, Mahesh and Smita S. Zinjarde and RaviKumar, Ameeta and Kumar, V. Ravi and Kulkarni, B. D.} } @article { ISI:000363152800005, title = {Core-shell nanoparticles: synthesis and applications in catalysis and electrocatalysis}, journal = {Chemical Society Reviews}, volume = {44}, number = {21}, year = {2015}, month = {AUG}, pages = {7540-7590}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Core-shell nanoparticles (CSNs) are a class of nanostructured materials that have recently received increased attention owing to their interesting properties and broad range of applications in catalysis, biology, materials chemistry and sensors. By rationally tuning the cores as well as the shells of such materials, a range of core-shell nanoparticles can be produced with tailorable properties that can play important roles in various catalytic processes and offer sustainable solutions to current energy problems. Various synthetic methods for preparing different classes of CSNs, including the Stober method, solvothermal method, one-pot synthetic method involving surfactants, etc., are briefly mentioned here. The roles of various classes of CSNs are exemplified for both catalytic and electrocatalytic applications, including oxidation, reduction, coupling reactions, etc.
}, issn = {0306-0012}, doi = {10.1039/c5cs00343a}, author = {Gawande, Manoj B. and Goswami, Anandarup and Asefa, Tewodros and Guo, Huizhang and Biradar, Ankush V. and Peng, Dong-Liang and Zboril, Radek and Varma, Rajender S.} } @article {42898, title = {Correlations between structure, microstructure, density and dielectric properties of the lead-free ferroelectrics Bi0.5(Na,K)0.5TiO3}, journal = {Journal of Advanced Dieletrics}, volume = {5}, year = {2015}, month = {NOV}, pages = {1550028 Page 1-6}, doi = {10.1142/S2010135X15500289}, author = {Anjali, K. and Ajithkumar, Thalasseril G. and Joy, Pattayil Alias} } @article { ISI:000362819600016, title = {CoSe2 supported on nitrogen-doped carbon nanohorns as a methanol-tolerant cathode for air-breathing microlaminar flow fuel cells}, journal = {Chemelectrochem}, volume = {2}, number = {9}, year = {2015}, month = {SEP}, pages = {1339-1345}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
The synthesis of CoSe2 nanoparticles supported on nitrogendoped carbon nanohorns (CoSe2/NCNH) and the influence of the interaction of the metal centre with the NCNH on the oxygen reduction reaction (ORR) are reported. CoSe2/NCNH shows a 50 mV lower onset overpotential and a 150 mV positive shift in the half-wave potential compared to CoSe2 supported on carbon and carbon nanohorns. This suggests that the intrinsic activity and the density of active reaction centres of CoSe2 are modified by NCNHs. An air-breathing direct meth-anol microlaminar flow fuel cell (mLFFC) is constructed using CoSe2/NCNH as a methanol-tolerant cathode catalyst. A maximum power density of 10.05 mWcm(-2) and a maximum current density of 124.20 mAcm(-2) are achieved with CoSe2/NCNH compared to the non-doped catalyst, CoSe2/C and Pt/C with 5m methanol as the fuel. The improved activity of CoSe2/ NCNH is attributed to the peculiar morphology and the nitrogen doping of the carbon nanohorns. This catalyst could be a suitable alternative to Pt.
}, keywords = {carbon nanohorns, chalcogenides, fuel cells, oxygen reduction reaction, platinum}, issn = {2196-0216}, doi = {10.1002/celc.201500154}, author = {Unni, SreeKuttan M. and Mora-Hernandez, Juan M. and Kurungot, Sreekumar and Alonso-Vante, Nicolas} } @article { ISI:000366339700024, title = {Cosolvent effects on solute-solvent hydrogen-bond dynamics: ultrafast 2D IR investigations}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {49}, year = {2015}, month = {DEC}, pages = {15334-15343}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Cosolvents strongly influence the solute-solvent interactions of biomolecules in aqueous environments and have profound effects on the stability and activity of several proteins and enzymes. Experimental studies have previously reported on the hydrogen-bond dynamics of water molecules in the presence of a cosolvent, but understanding the effects from a solute{\textquoteright}s perspective could provide greater insight into protein stability. Because carbonyl groups are abundant in biomolecules, the current study used 2D IR spectroscopy and molecular dynamics simulations to compare the hydrogen-bond dynamics of the solute{\textquoteright}s carbonyl group in aqueous solution, with and without the presence of DMSO as a cosolvent. 2D IR spectroscopy was used to quantitatively estimate the time scales of the hydrogen-bond dynamics of the carbonyl group in neat water and 1:1 DMSO/water solution. The 2D IR results show spectral signatures of a chemical exchange process: The presence of the cosolvent was found to lower the hydrogen-bond exchange rate by a factor of 5. The measured exchange rates were 7.50 X 10(11) and 1.48 X 10(11) s(-1) in neat water and 1:1 DMSO/water, respectively. Molecular dynamics simulations predict a significantly shorter carbonyl hydrogen-bond lifetime in neat water than in 1:1 DMSO/water and provide molecular insights into the exchange mechanism. The binding of the cosolvent to the solute was found to be accompanied by the release of hydrogen-bonded water molecules to the bulk. The widely different hydrogen-bond lifetimes and exchange rates with and without DMSO indicate a significant change in the ultrafast hydrogen-bond dynamics in the presence of a cosolvent, which, in turn, might play an important role in the stability and activity of biomolecules.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b08643}, author = {Kashid, Somnath M. and Jin, Geun Young and Bagchi, Sayan and Kim, Yung Sam} } @article { ISI:000357907800052, title = {CRE for magic(modular, agile, intensified \& continuous) processes}, journal = {Chemical Engineering Journal}, volume = {278}, number = {SI}, year = {2015}, note = {23rd International Symposium on Chemical Reaction Engineering (ISCRE), Bangkok, THAILAND, SEP 07-10, 2014}, month = {OCT}, pages = {454-468}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Fine and specialty chemical industry caters to several key applications required for maintaining and enhancing quality of life. Most of these fine and specialty chemicals are still manufactured in stirred tank reactors operated in batch or semi-batch modes. A paradigm shift is necessary to transform these into new age, efficient and continuous processes and plants. In this paper, recent attempts of our group on developing MAGIC (modular, agile, intensified and continuous) devices, processes and plants for fine and specialty chemicals industry are discussed. The focus is on key chemical reaction engineering aspects of developing MAGIC processes. An attempt is made to evolve guidelines for designing MAGIC devices and reactors. The discussion will be useful to researchers as well as to industry practitioners. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Agile, Continuous, CRE, Intensified, Modular}, issn = {1385-8947}, doi = {10.1016/j.cej.2014.12.050}, author = {Ranade, Vivek V. and Sharma, Mrityunjay K. and Kulkarni, Amol A.} } @article { ISI:000356056000078, title = {Cross over from 3D variable range hopping to the 2D weak localization conduction mechanism in disordered carbon with the extent of graphitization}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {24}, year = {2015}, month = {MAY}, pages = {16178-16185}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The changes in the electrical transport properties and mechanism of conduction in disordered carbon, with the extent of graphitization, are studied and discussed. With heat treatment induced graphitic ordering, the electrical properties are considerably modified, inducing a crossover from strong localization to weak localization behavior. Accordingly, the conduction mechanism is modified from the 3-dimensional variable range hopping (3D VRH) model to the 2-dimensional weak localization (2D WL) model. Results show that carrier-carrier and carrier-phonon interactions play major roles in developing the weak localization behavior with the extent of graphitization.
}, issn = {1463-9076}, doi = {10.1039/c5cp00329f}, author = {Raj, Kovummal Govind and Joy, Pattayil Alias} } @article { ISI:000353218500003, title = {Crystal structure of a plant albumin from cicer arietinum (chickpea) possessing hemopexin fold and hemagglutination activity}, journal = {Planta}, volume = {241}, number = {5}, year = {2015}, month = {MAY}, pages = {1061-1073}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Crystal structure of a reported PA2 albumin from Cicer arietinum shows that it belongs to hemopexin fold family, has four beta-propeller motifs and possesses hemagglutination activity, making it different from known legume lectins. A plant albumin (PA2) from Cicer arietinum, presumably a lectin (CAL) owing to its hemagglutination activity which is inhibited by complex sugars as well as glycoproteins such as fetuin, desialylated fetuin and fibrinogen. The three-dimensional structure of this homodimeric protein has been determined using X-ray crystallography at 2.2 in two crystal forms: orthorhombic (P2(1)2(1)2) and trigonal (P3). The structure determined using molecular replacement method and refined in orthorhombic crystal form reached R-factors R (free) 22.6 \% and R (work) 18.2 \% and in trigonal form had 22.3 and 17.9 \% in the resolution range of 20.0-2.2 and 35.3-2.2 , respectively. Interestingly, unlike the known legume lectin fold, the structure of this homodimeric hemagglutinin belonged to hemopexin fold that consisted of four-bladed beta-propeller architecture. Each subunit has a central cavity forming a channel, inside of which is lined with hydrophobic residues. The channel also bears binding sites for ligands such as calcium, sodium and chloride ions, iodine atom in the case of iodine derivative and water molecules. However, none of these ligands seem important for the sugar recognition. No monosaccharide sugar specificity could be detected using hemagglutination inhibition. Chemical modification studies identified a potential sugar-binding site per subunit molecule. Comparison of C-alpha atom positions in subunit structures showed that the deviations between the two crystal forms were more with respect to blades I and IV. Differences also existed between subunits in two forms in terms of type and site of ligand binding.
}, keywords = {Beta-propeller fold, Chemical modification, Chickpea lectin, Complex sugars, PA2 albumin, Sugar binding}, issn = {0032-0935}, doi = {10.1007/s00425-014-2236-6}, author = {Sharma, Urvashi and Katre, Uma V. and Suresh, C. G.} } @article { ISI:000364509100013, title = {Crystal structures of the pyrazinamide-p-aminobenzoic acid (1/1) cocrystal and the transamidation reaction product 4-(pyrazine-2-carboxamido)-benzoic acid in the molten state}, journal = {Acta Crystallographica Section C-Structural Chemistry}, volume = {71}, number = {11}, year = {2015}, month = {NOV}, pages = {1010-U276}, publisher = {INT UNION CRYSTALLOGRAPHY}, address = {2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND}, abstract = {
The synthesis of pharmaceutical cocrystals is a strategy to enhance the performance of active pharmaceutical ingredients (APIs) without affecting their therapeutic efficiency. The 1: 1 pharmaceutical cocrystal of the antituberculosis drug pyrazinamide (PZA) and the cocrystal former p-aminobenzoic acid (p-ABA), C7H7NO2- C5H5N3O, (1), was synthesized successfully and characterized by relevant solid-state characterization methods. The cocrystal crystallizes in the monoclinic space group P21/n containing one molecule of each component. Both molecules associate via intermolecular O-H center dot center dot center dot O and NH center dot center dot center dot O hydrogen bonds [O center dot center dot center dot O = 2.6102 (15)angstrom and O-H center dot center dot center dot O = 168.3 (19)degrees; N center dot center dot center dot O = 2.9259 (18) angstrom and N-H center dot center dot center dot O = 167.7 (16)degrees] to generate a dimeric acidamide synthon. Neighbouring dimers are linked centrosymmetrically through N-H center dot center dot center dot O interactions [N center dot center dot center dot O = 3.1201 (18) angstrom and N-H center dot center dot center dot O = 136.9 (14)degrees] to form a tetrameric assembly supplemented by C-H center dot center dot center dot N interactions [C center dot center dot center dot N = 3.5277 (19) angstrom and C-H center dot center dot center dot N = 147 degrees]. Linking of these tetrameric assemblies through N-H center dot center dot center dot O [N center dot center dot center dot O = 3.3026 (19) angstrom and N-H center dot center dot center dot O = 143.1 (17)degrees], NH center dot center dot center dot N [N center dot center dot center dot N = 3.221 (2) angstrom and N-H center dot center dot center dot N = 177.9 (17)degrees] and C-H center dot center dot center dot O [C center dot center dot center dot O = 3.5354 (18) angstrom and C-H center dot center dot center dot O = 152 degrees] interactions creates the twodimensional packing. Recrystallization of the cocrystals from the molten state revealed the formation of 4-(pyrazine-2-carboxamido) benzoic acid, C12H9N3O3, (2), through a transamidation reaction between PZA and p-ABA. Carboxamide (2) crystallizes in the triclinic space group P1 with one molecule in the asymmetric unit. Molecules of (2) form a centrosymmetric dimeric homosynthon through an acid-acid O-H center dot center dot center dot O hydrogen bond [O center dot center dot center dot O = 2.666 (3) angstrom and O-H center dot center dot center dot O = 178 (4) degrees]. Neighbouring assemblies are connected centrosymmetrically via a C-H center dot center dot center dot N interaction [C center dot center dot center dot N = 3.365 (3) angstrom and C-H center dot center dot center dot N = 142 degrees] engaging the pyrazine groups to generate a linear chain. Adjacent chains are connected loosely via C-H center dot center dot center dot O interactions [C center dot center dot center dot O = 3.212 (3) angstrom and CH center dot center dot center dot O = 149 degrees] to generate a two-dimensional sheet structure. Closely associated two-dimensional sheets in both compounds are stacked via aromatic pi-stacking interactions engaging the pyrazine and benzene rings to create a threedimensional multi-stack structure.
}, keywords = {acid-amide hetero-synthon, active pharmaceutical ingredient (API), cocrystal, crystal structure, hydrogen bonding, molten-state reaction, powder diffraction, transamidation reaction}, issn = {2053-2296}, doi = {10.1107/S2053229615019828}, author = {Thorat, Shridhar H. and Sahu, Sanjay Kumar and Gonnade, Rajesh G.} } @article { ISI:000354794500012, title = {Cu-catalyzed debrominative cyanation of gem-dibromoolefins: a facile access to alpha,beta-unsaturated nitriles}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {21}, year = {2015}, month = {APR}, pages = {5918-5923}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An efficient catalytic route for the synthesis of alpha,beta-unsaturated nitriles from easily accessible gem-dibromoolefins has been developed. The method utilized inexpensive reagents such as Cu2O as a catalyst, L-proline as a ligand and NaCN as a cyanide source to afford alpha,beta-unsaturated nitriles in high yields (62-86\%). A deuterium exchange study has shown that one of the bromide atoms of gem-dibromoolefins exchanges with cyanide while the other with a deuterium atom.
}, issn = {1477-0520}, doi = {10.1039/c5ob00394f}, author = {Ahuja, Brij Bhushan and Sudalai, Arumugam} } @article { ISI:000350843500006, title = {Cu-Pt nanocage with 3-D electrocatalytic surface as an efficient oxygen reduction electrocatalyst for a primary Zn-air battery}, journal = {ACS Catalysis}, volume = {5}, number = {3}, year = {2015}, month = {MAR}, pages = {1445-1452}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Cu-Pt nanocage (CuPt-NC) intermetallic structures have been prepared by an in situ galvanic displacement reaction. The structures are found to be well organized within the framework demarcated with distinguishing arms, having clear edges and corners with a size of similar to 20 nm. The unique nanocage structure possessing large specific surface area and better structural integrity helps to achieve improved electrochemical oxygen reduction reaction activity and stability in alkaline solution in comparison to the commercially available 20 wt \% Pt/C. CuPt-NC shows 50 mV positive onset potential shift with significantly higher limiting current in comparison to Pt/C. Interestingly, CuPt-NC has shown 2.9- and 2.5-fold improved mass activity and specific activity, respectively, for ORR at 0.9 V vs RHE in comparison to Pt/C. Moreover, the stability of CuPt-NC has been tested by an accelerated durability test under alkaline conditions. CuPt-NC has been subsequently utilized as the air electrode in a primary Zn-air battery and is found to possess 1.30- and 1.34-fold improved power density and current density at 1 V, respectively, in comparison to the state-of-the-art Pt/C catalyst. In addition, CuPt-NC has shown several hours of constant discharge stability at 20 mA cm(-2) with a specific capacity of 560 mAh gZn(-1) and energy density of 728 Wh kgZn(-1) in the primary Zn-air battery system.
}, keywords = {3-D electrocatalytic surface, Cu-Pt nanocage, electrocatalyst, galvanic displacement, oxygen reduction reaction, solvothermal method, Zn-air battery}, issn = {2155-5435}, doi = {10.1021/cs501571e}, author = {Dhavale, Vishal M. and Kurungot, Sreekumar} } @article { ISI:000365529900006, title = {Cyclic cationic peptides containing sugar amino acids selectively distinguishes and inhibits maturation of pre-mirnas of the same family}, journal = {Nucleic Acid Therapeutics}, volume = {25}, number = {6}, year = {2015}, month = {DEC}, pages = {323-329}, publisher = {MARY ANN LIEBERT, INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {
The discovery of microRNAs (miRNAs) has added a new dimension to the gene regulatory networks, making aberrantly expressed miRNAs as therapeutically important targets. Small molecules that can selectively target and modulate miRNA levels can thus serve as lead structures. Cationic cyclic peptides containing sugar amino acids represent a new class of small molecules that can target miRNA selectively. Upon treatment of these small molecules in breast cancer cell line, we profiled 96 therapeutically important miRNAs associated with cancer and observed that these peptides can selectively target paralogous miRNAs of the same seed family. This selective inhibition is of prime significance in cases when miRNAs of the same family have tissue-specific expression and perform different functions. During these conditions, targeting an entire miRNA family could lead to undesired adverse effects. The selective targeting is attributable to the difference in the three-dimensional structures of precursor miRNAs. Hence, the core structure of these peptides can be used as a scaffold for designing more potent inhibitors of miRNA maturation and hence function.
}, issn = {2159-3337}, doi = {10.1089/nat.2015.0554}, author = {Nahar, Smita and Bose, Debojit and Pal, Sudip and Chakraborty, Tushar Kanti and Maiti, Souvik} } @article { ISI:000355762900032, title = {Cytostatic ruthenium(II)-platinum(II) bis(terpyridyl) anticancer complex that blocks entry into sphase by up-regulating p27(KIP1)}, journal = {Chemistry-A European Journal}, volume = {21}, number = {25}, year = {2015}, month = {JUN}, pages = {9185-9197}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Cytostatic agents that interfere with specific cellular components to prevent cancer cell growth offer an attractive alternative, or complement, to traditional cytotoxic chemotherapy. Here, we describe the synthesis and characterization of a new binuclear Ru-II-Pt-II complex [Ru(tpy)(tpypma)Pt(Cl)(DMSO)](3+) (tpy=2,2:6,2-terpyridine and tpypma=4-([2,2:6,2-terpyridine]-4-yl)-N-(pyridin-2-ylmethyl)aniline), VR54, which employs the extended terpyridine tpypma ligand to link the two metal centres. In cell-free conditions, VR54 binds DNA by non-intercalative reversible mechanisms (K-b=1.3x10(5)M(-1)) and does not irreversibly bind guanosine. Cellular studies reveal that VR54 suppresses proliferation of A2780 ovarian cancer cells with no cross-resistance in the A2780CIS cisplatin-resistant cell line. Through the preparation of mononuclear Ru-II and Pt-II structural derivatives it was determined that both metal centres are required for this anti-proliferative activity. In stark contrast to cisplatin, VR54 neither activates the DNA-damage response network nor induces significant levels of cell death. Instead, VR54 is cytostatic and inhibits cell proliferation by up-regulating the cyclin-dependent kinase inhibitor p27(KIP1) and inhibiting retinoblastoma protein phosphorylation, which blocks entry into Sphase and results in G1 cell cycle arrest. Thus, VR54 inhibits cancer cell growth by a gain of function at the G1 restriction point. This is the first metal-coordination compound to demonstrate such activity.
}, keywords = {antitumor agents, cytostatic, p27KIP1, platinum drugs, ruthenium terpyridine}, issn = {0947-6539}, doi = {10.1002/chem.201500561}, author = {Ramu, Vadde and Gill, Martin R. and Jarman, Paul J. and Turton, David and Thomas, Jim A. and Das, Amitava and Smythe, Carl} } @article {43043, title = {Data in support of large scale comparative codon usage analysis in leishmania and trypanosomatids}, journal = {Data Brief}, volume = {4}, year = {2015}, month = {JUN}, pages = {269-272}, type = {Article}, abstract = {
This data article contains data related to the article {\textquotedblleft}Comparison of codon usage bias across Leishmania and Trypanosomatids to understand mRNA secondary structure, relative protein abundance and pathway functions{\textquotedblright} by Subramanian and Sarkar [1]. The data comprises of sequence-based measures that quantify the effect of codon usage across genomes. The data thus generated represents computed values of codon usage indices like relative synonymous codon usage (RSCU), effective number of codons (ENC), and codon adaptation index (CAI), a set of single copy orthologous genes common to the 13 Trypanosomatids, and comparisons of CAI between genes of different functions. This forms a basis of comparison to infer the causes and consequences of codon usage bias in Leishmania and other Trypanosomatids.
}, doi = {10.1016/j.dib.2015.06.003}, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article { ISI:000346006700016, title = {Decoration of CdS nanoparticles on 3D self-assembled ZnO nanorods: a single-step process with enhanced field emission behaviour}, journal = {CrystEngComm}, volume = {17}, number = {1}, year = {2015}, month = {NOV}, pages = {140-148}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A well-defined CdS-ZnO heteroarchitecture has been synthesized via a facile single-step hydrothermal approach. The morphological and structural studies reveal the formation of 3D nano-architectures, in which self-assembled ZnO nanorods (diameter similar to 50 nm) are well decorated with single crystalline CdS nanoparticles (size similar to 10 nm). The CdS-ZnO heteroarchitecture exhibits a remarkable change in the optical absorption due to the surface modification of ZnO nanorods by CdS. Surprisingly, under identical reaction conditions, the global ZnS nanoparticles are selectively grown at the apex of ZnO nanorods on the Zn substrate. Furthermore, a plausible growth mechanism has been presented on the basis of experimental results. Interestingly, the CdS-ZnO heteroarchitecture shows enhanced field emission properties such as low turn-on field, high emission current density and better current stability in comparison to other ZnO-based nanostructures. The present CdS-ZnO heteroarchitecture could be extended to other potential applications, such as chemical sensors, photodetectors, optoelectronic devices, and photocatalysts.
}, issn = {1466-8033}, doi = {10.1039/c4ce01738b}, author = {Warule, Sambhaji S. and Chaudhari, Nilima S. and Shisode, Raju T. and Desa, Keith V. and Kale, Bharat B. and More, Mahendra A.} } @article { ISI:000347249500015, title = {Deinococcus enclensis sp nov., isolated from a marine sediment sample}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {107}, number = {1}, year = {2015}, month = {JAN}, pages = {141-148}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A novel pale-pink coloured strain, designated NIO-1023(T), was isolated from a marine sediment sample from Chorao Island, Goa, India. The taxonomic position of strain NIO-1023(T) was investigated by using a polyphasic approach. The cells were observed to be Gram-stain positive, coccal shaped and non-spore forming. Phylogenetic analyses using the 16S rRNA gene sequence of the isolate indicated that the organism belongs to the genus Deinococcus. The strain NIO-1023(T) showed highest 16S rRNA gene sequence similarities with Deinococcus ficus (97.8 \%), whereas other Deinococcus species showed less than 95 \% sequence similarity. The DNA-DNA relatedness with respect to D. ficus CC-FR2-10(T) was 23.9 \%. Chemotaxonomic data revealed that strain NIO-1023(T) contains only menaquinone MK-8 as the respiratory quinone and a complex polar lipid profile consisting of different unidentified glycolipids and polar lipids, two unknown phospholipids and three unknown phosphoglycolipids. As in other deinococci, one of these phosphoglycolipids was predominant in the profile. The predominant fatty acids were identified as C-17:1 w8c, C-16:1 w6c/w7c, C-15:1 w6c and C-17:1 w9c. The genomic DNA G + C content of strain NIO-1023(T) was determined to be 67.2 mol\%. The biochemical and chemotaxonomic properties demonstrate that strain NIO-1023(T) represents a novel species, for which the name Deinococcus enclensis sp. nov. is proposed. The type strain is NIO-1023(T) (=DSM 25127(T) = NCIM 5456(T)).
}, keywords = {16S rRNA, Deinococcus, Marine sediments, Polyphasic}, issn = {0003-6072}, doi = {10.1007/s10482-014-0311-4}, author = {Thorat, Meghana N. and Mawlankar, Rahul R. and Sonalkar, Vidya V. and Ramana, V. Venkata and Joseph, Neeta and Shouche, Yogesh S. and Dastager, Syed Gulam} } @article { ISI:000353249500020, title = {Demonstration of synergistic catalysis in Au@Ni bimetallic core-shell nanostructures}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {15}, year = {2015}, month = {APR}, pages = {8138-8146}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Coreshell bimetallic nanoparticles comprised of gold core and varying nickel shell have been synthesized, and their synergistic effect in catalysis is explored through catalytic hydrogenation of p-nitrophenol and p-nitrothiophenol. A clear evidence for synergism in Au@Ni core-shell nanoparticles having an ultrathin Ni shell (1-2 nm) around a Au core (6-10 nm) resulting in enhanced catalytic activity is observed. The rates observed from a thin nickel shell are higher than monometallic Au or Ni nanoparticles of similar size or with a thicker Ni shell of 6-8 nm.
}, issn = {1932-7447}, doi = {10.1021/jp5128089}, author = {Vysakh, A. B. and Babu, Chinchu Lizen and Vinod, C. P.} } @article { ISI:000360934400007, title = {Design and development of cheminfocloud: an integrated cloud enabled platform for virtual screening}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {6}, year = {2015}, month = {JAN}, pages = {604-619}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
The power of cloud computing and distributed computing has been harnessed to handle vast and heterogeneous data required to be processed in any virtual screening protocol. A cloud computing platorm ChemInfoCloud was built and integrated with several chemoinformatics and bioinformatics tools. The robust engine performs the core chemoinformatics tasks of lead generation, lead optimisation and property prediction in a fast and efficient manner. It has also been provided with some of the bioinformatics functionalities including sequence alignment, active site pose prediction and protein ligand docking. Text mining, NMR chemical shift (1H, 13C) prediction and reaction fingerprint generation modules for efficient lead discovery are also implemented in this platform. We have developed an integrated problem solving cloud environment for virtual screening studies that also provides workflow management, better usability and interaction with end users using container based virtualization, OpenVz.
}, keywords = {Chemoinformatics, cloud computing, machine learning, Molecular docking, OpenVz, sequence alignment, spectra prediction, text mining, virtual screening}, issn = {1386-2073}, doi = {10.2174/1386207318666150703113656}, author = {Karthikeyan, Muthukumarasamy and Pandit, Deepak and Bhavasar, Arvind and Vyas, Renu} } @article { ISI:000360934400001, title = {Design and development of new chemoinformatics tools for virtual screening}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {6}, year = {2015}, month = {JAN}, pages = {526-527}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, issn = {1386-2073}, doi = {10.2174/138620731806150902190608}, author = {Karthikeyan, Muthukumarasamy and Vyas, Renu} } @article { ISI:000361004700026, title = {Design and synthesis of 11 alpha-substituted bile acid derivatives as potential anti-tuberculosis agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {25}, number = {19}, year = {2015}, month = {OCT}, pages = {4185-4190}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We have synthesized a series of novel 11 alpha-triazoyl bile acid derivatives. In addition, we also have synthesized N-alkyl and N-acyl derivatives of C-11 amino bile acid esters. All the compounds were evaluated for the inhibitory activity against Mycobacterium tuberculosis H37Ra (MTB) at 30 mu g/mL level. Four lead compounds (2b, 3, 7 and 8) were further confirmed from their dose dependent effect against MTB. These compounds were found to be active against Dormant and active stage MTB under both in vitro as well as within THP1 host macrophages. The most promising compound 2b showed strong antitubercular activities against MTB under in vitro and ex vivo (IC90 value of similar to 3 mu g/mL) conditions and almost insignificant cytotoxicity up to 100 mu g/mL against THP-1, A549 and PANC-1 human cancer cell lines. Inactivity of all these compounds against Gram positive and Gram negative bacteria indicates their specificity. Molecular docking studies of these compounds into the active site of DprE1 enzyme revealed a similar binding mode to native ligands in the crystal structure thereby helping to establish a structural basis of inhibition of MTB. The synthesized compounds were analyzed for ADME properties and showed potential to develop good oral drug candidates. Our results clearly indicate the identification of some novel, selective and specific inhibitors against MTB that can be explored further for potential antitubercular drug. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Antituberculosis, Bile acids, Cycloaddition, Docking study, In silico ADME}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2015.08.006}, author = {Pore, Vandana S. and Divse, Jaisingh M. and Charolkar, Chaitanya R. and Nawale, Laxman U. and Khedkar, Vijay M. and Sarkar, Dhiman} } @article { ISI:000364803200011, title = {Design and synthesis of a focused library of diamino triazines as potential mycobacterium tuberculosis DHFR inhibitors}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1140-1144}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report design of a series of 2,4-diamino triazines as Mycobacterium tuberculosis (Mtb) dihydrofolate reductase inhibitors. The synthesized compounds were evaluated against Mtb (H(37)Rv and Dormant stage H37Ra), their cytotoxicity was assessed (HepG2 and A549 cell lines), and selectivity toward Mtb was evaluated by testing against other bacterial strains. Some derivatives showed promising activity along with low cytotoxicity. The most potent compound in the whole cell assay (MIC 0.325 mu M against H(37)Rv) showed selectivity in the enzyme assay and exhibited synergy with second line anti-TB agent p-amino salicylic acid. This study therefore provides promising molecules for further development as antituberculosis DHFR inhibitors.
}, keywords = {Diamino triazine, dihydrofolate reductase, enzyme assay, molecular modeling, Mycobacterium tuberculosis, selectivity, synergy}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00367}, author = {Lele, Arundhati C. and Raju, Archana and Khambete, Mihir P. and Ray, M. K. and Rajan, M. G. R. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Sarkar, Dhiman and Degani, Mariam S.} } @article { ISI:000360825100003, title = {Design and synthesis of cauliflower-shaped hydroxyl functionalized core-shell polymer}, journal = {Designed Monomers and Polymers}, volume = {18}, number = {8}, year = {2015}, month = {NOV}, pages = {723-733}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Conventional crosslinked polymers and homopolymers both have their own limitations. As a result, core-shell polymer was synthesized to obtain cauliflower-shaped and highly hydroxyl functionalized polymer. For the core, acrylate-based copolymers were synthesized by varying crosslinkers and porogens at different crosslink density. Owing to high surface area (554 m(2)/g), poly(MMA-co-DVB) was used as a core and low-molecular weight (24,600g/mol) poly(GMA) was used as a shell in core-shell approach. Average particle sizes of the core polymers were in the range of 15-75 mu m. In order to evaluate reactivity efficiency of core-shell polymer, hydroxyl content was evaluated with a value of 3.97mmol/g. Importantly, hydroxyl content demonstrated the successful increase in reactive sites of the core-shell polymer over conventional crosslinked hydroxyl polymer. Notably, synthesized core-shell polymer has more surface area and pore volume which substantially attributes for better polymer efficiency during application. Scanning electron microscopy images revealed the spherical, uniform, and slightly conglomerated properties of core-shell polymer. Due to higher reactivity, insolubility, and more surface area of hydroxyl functionalized core-shell polymer, its use become inevitably essential.
}, keywords = {C-13 solid state NMR, cauliflower-shaped porous beads, core-shell polymer, hydroxyl functionalization, surface area}, issn = {1385-772X}, doi = {10.1080/15685551.2015.1070504}, author = {Mane, Sachin and Ponrathnam, Surendra and Chavan, Nayaku} } @article { ISI:000355859600015, title = {Design and synthesis of new fluconazole analogues}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {23}, year = {2015}, month = {MAY}, pages = {6551-6561}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We have synthesized new fluconazole analogues containing two different 1,2,3-triazole units in the side chain. The synthesis of new amide analogues using a variety of acids is also described. All the compounds showed very good antifungal activity. A hemolysis study of the most active compounds 6e and 13j showed that both compounds did not cause any hemolysis at the dilutions tested. These compounds did not exhibit any toxicity to L929 cells at MIC and lower concentrations. In the docking study, the overall binding mode of 6e and 13j appeared to be reasonable and provided a good insight into the structural basis of inhibition of Candida albicans Cyp51 by these compounds.
}, issn = {1477-0520}, doi = {10.1039/c5ob00590f}, author = {Pore, Vandana S. and Agalave, Sandip G. and Singh, Pratiksha and Shukla, Praveen K. and Kumar, Vikash and Siddiqi, Mohammad I.} } @article { ISI:000364803200005, title = {Design, synthesis, and identification of silicon incorporated oxazolidinone antibiotics with improved brain exposure}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1105-1110}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Therapeutic options for brain infections caused by pathogens with a reduced sensitivity to drugs are limited. Recent reports on the potential use of linezolid in treating brain infections prompted us to design novel compounds around this scaffold. Herein, we describe the design and synthesis of various oxazolidinone antibiotics with the incorporation of silicon. Our findings in preclinical species suggest that silicon incorporation is highly useful in improving brain exposures. Interestingly, three compounds from this series demonstrated up to a 30-fold higher brain/plasma ratio when compared to linezolid thereby indicating their therapeutic potential in brain associated disorders.
}, keywords = {Antibacterial, brain exposure, linezolid, oxazolidinone, sila analogue}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00213}, author = {Seetharamsingh, B. and Ramesh, Remya and Dange, Santoshkumar S. and Khairnar, Pankaj V. and Singhal, Smita and Upadhyay, Dilip and Veeraraghavan, Sridhar and Viswanadha, Srikant and Vakkalanka, Swaroop and Reddy, D. Srinivasa} } @article { ISI:000364906600041, title = {Detailed study on the thermal, photo-physical and electrochemical properties and OFET applications of D-pi-A-pi-D structured unsymmetrical diketopyrrolopyrrole materials}, journal = {RSC Advances}, volume = {5}, number = {115}, year = {2015}, month = {OCT}, pages = {94859-94865}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A series of seven unsymmetrical diketopyrrolopyrrole (DPP) derivatives with donor-pi-acceptor-pi-donor (D-pi-A-pi-D) architecture have been designed, synthesized and well characterised. The effect of the electron donating capacity and extent of electronic conjugation of the end-capping units on the thermal, photo-physical and electrochemical properties of the synthesized materials was thoroughly investigated using various experimental techniques and theoretical calculations. Organic field-effect transistors (OFETs) were fabricated using these materials to obtain their hole/electron transporting characteristics. All these materials showed moderate to good hole transporting ability, and the OFET fabricated using the DPP-derivative with benzofuran and pyrene end groups exhibited a hole mobility of 6.7 x 10(-4) cm(2) V-1 s(-1) with VT of similar to 9 V. The observed photo-physical, electrochemical, thermal, and charge carrier properties of the synthesized DPP-derivatives indicated their applicability in various areas like organic photovoltaics, disposable electronics and biomedical devices.
}, issn = {2046-2069}, doi = {10.1039/c5ra16653e}, author = {Bharath, D. and Chithiravel, Sundaresan and Sasikumar, M. and Chereddy, Narendra Reddy and Shanigaram, Balaiah and Bhanuprakash, K. and Krishnamoorthy, K. and Rao, V. Jayathirtha} } @article { ISI:000345845400022, title = {Development of a mathematical model for animal cell culture without pH control and its application for evaluation of clone screening outcomes in shake flask culture}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {90}, number = {1}, year = {2015}, month = {JAN}, pages = {166-175}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
BACKGROUNDCurrently used mathematical models for animal cell growth and metabolism cannot simulate changing culture pH and its effect on metabolism, and hence cannot accurately model cultures lacking pH control. Animal cell cultures are however widely cultured at a small scale without pH control, e.g. for clone screening during cell line development. A mathematical model for animal cell growth without pH control is developed and applied to design optimal conditions for clone screening without pH control. RESULTSThe mathematical model successfully simulates published data for suspension CHO culture in shake flasks. It is further used to simulate clonal heterogeneity and predict relative clone performance in different culture conditions. Predictions of correlation coefficients between clone titers in batch and fed batch screening conditions and pH controlled fed batch agree with published values. Fed batch mode is predicted to give better screening outcomes than batch, but only for clones able to consume lactate. Simulations reveal that culture duration of the screening assay has a large effect on the screening outcome and optimal durations differ based on the ability or inability of clones to consume lactate. CONCLUSIONThis study presents a tool for optimal design of screening assay for clone selection without pH control. (c) 2014 Society of Chemical Industry
}, keywords = {clone screening, clone selection, culture duration, high throughput screening, lactate consumption, mathematical model with pH effects, pH control for animal cell culture}, issn = {0268-2575}, doi = {10.1002/jctb.4302}, author = {Gadgil, Mugdha} } @article { ISI:000358837400009, title = {Development of diagnostic fragment ion library for glycated peptides of human serum albumin: targeted quantification in prediabetic, diabetic, and microalbuminuria plasma by parallel reaction monitoring, SWATH, and MSE}, journal = {Molecular \& Cellular Proteomics}, volume = {14}, number = {8}, year = {2015}, month = {AUG}, pages = {2150-2159}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {
Human serum albumin is one of the most abundant plasma proteins that readily undergoes glycation, thus glycated albumin has been suggested as an additional marker for monitoring glycemic status. Hitherto, only Amadori-modified peptides of albumin were quantified. In this study, we report the construction of fragment ion library for Amadori-modified lysine (AML), N(epsilon)-(carboxymethyl) lysine (CML)-, and N(epsilon)-(carboxyethyl) lysine (CEL)-modified peptides of the corresponding synthetically modified albumin using high resolution accurate mass spectrometry (HR/AM). The glycated peptides were manually inspected and validated for their modification. Further, the fragment ion library was used for quantification of glycated peptides of albumin in the context of diabetes. Targeted Sequential Window Acquisition of all THeoretical Mass Spectra (SWATH) analysis in pooled plasma samples of control, prediabetes, diabetes, and microalbuminuria, has led to identification and quantification of 13 glycated peptides comprised of four AML, seven CML, and two CEL modifications, representing nine lysine sites of albumin. Five lysine sites namely K549, K438, K490, K88, and K375, were observed to be highly sensitive for glycation modification as their respective m/z showed maximum fold change and had both AML and CML modifications. Thus, peptides involving these lysine sites could be potential novel markers to assess the degree of glycation in diabetes.
}, issn = {1535-9476}, doi = {10.1074/mcp.M115.050518}, author = {Korwar, Arvind M. and Vannuruswamy, Garikapati and Jagadeeshaprasad, Mashanipalya G. and Jayaramaiah, Ramesha H. and Bhat, Shweta and Regin, Bhaskaran S. and Ramaswamy, Sureshkumar and Giri, Ashok P. and Mohan, Viswanathan and Balasubramanyam, Muthuswamy and Kulkarni, Mahesh J.} } @article { ISI:000365930800010, title = {Development of newer adsorbents: activated carbons derived from carbonized cassia fistula}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {47}, year = {2015}, month = {DEC}, pages = {11844-11857}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Development of newer adsorbent materials, especially from biomass, is most crucial to sustain growth of otherwise well established adsorption processes that already have hundreds of commercial adsorbents in practice. In the present study, newer adsorbents and their potential-carbonaceous adsorbents derived from the whole fruit of Cassia fistula (Golden shower) have been reported for applications in environmental pollution control using natural, renewable biomass as precursor. The potential of different forms of the derived adsorbents produced by thermal and chemical activation was examined for two representative cases, desulfurization of transportation fuels and wastewater treatment. The adsorbents were characterized by FTIR, XRD, XPS, and SEM techniques that indicate specific characteristics useful as an adsorbent. A successful application in the real industrial wastewater treatment and comparison with well recognized commercial adsorbents clearly highlights the utility of the developed newer adsorbents in separation science and technology.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b02945}, author = {Sorokhaibam, Laxmi Gayatri and Bhandari, Vinay M. and Salvi, Monal S. and Jain, Saijal and Hadawale, Snehal D. and Ranade, Vivek V.} } @article { ISI:000365410100025, title = {Deviation of polarity from linearity in liquid mixtures containing an ionic liquid}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {47}, year = {2015}, month = {NOV}, pages = {31613-31617}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The physico-chemical properties of liquid mixtures, in general, exhibit deviations from linear behaviour with respect to their composition, arising out of different types of cross-intermolecular interactions (both specific and non-specific). These specific and non-specific interactions can however be monitored to obtain the linear mixing in liquid mixtures using the pseudo-solvent methodology in such a manner that the interactions causing deviations from linearity are cancelled out and mixtures display linear behaviour.
}, issn = {1463-9076}, doi = {10.1039/c5cp05921f}, author = {Beniwal, Vijay and Shukla, Shashi K. and Kumar, Anil} } @article {42432, title = {Diastereoselective synthesis of cyclopentanone-fused spirooxindoles by N-heterocyclic carbene-catalyzed homoenolate annulation with isatilidenes}, journal = {Organic Chemistry Frontiers}, volume = {2}, year = {2015}, month = {SEP}, pages = {1584-1588}, abstract = {
N-Heterocyclic carbene (NHC)-catalyzed formal [3 + 2] annulation of α,β-unsaturated aldehydes with N-substituted isatilidenes resulting in the diastereoselective synthesis of cyclopentanone-fused spirooxindoles is demonstrated. Mechanistically, the reaction proceeds via the generation of homoenolate equivalent intermediates from NHC and enals, which on interception with isatilidenes afford spiroheterocyclic compounds bearing an all-carbon quaternary spiro-center in moderate to good yields and generally with high diastereoselectivity. Moreover, the functionalization of the spirooxindoles as well as the initial studies on the enantioselective version of this reaction are presented.
}, doi = {10.1039/C5QO00242G}, author = {Patra, Atanu and Bhunia, Anup and Yetra, Santhivardhana Reddy and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000369744300004, title = {Differential dynamics of the serotonin(1A) receptor in membrane bilayers of varying cholesterol content revealed by all atom molecular dynamics simulation}, journal = {Molecular Membrane Biology}, volume = {32}, number = {4}, year = {2015}, month = {MAY}, pages = {127-137}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
The serotonin(1A) receptor belongs to the superfamily of G protein-coupled receptors (GPCRs) and is a potential drug target in neuropsychiatric disorders. The receptor has been shown to require membrane cholesterol for its organization, dynamics and function. Although recent work suggests a close interaction of cholesterol with the receptor, the structural integrity of the serotonin(1A) receptor in the presence of cholesterol has not been explored. In this work, we have carried out all atom molecular dynamics simulations, totaling to 3s, to analyze the effect of cholesterol on the structure and dynamics of the serotonin(1A) receptor. Our results show that the presence of physiologically relevant concentration of membrane cholesterol alters conformational dynamics of the serotonin(1A) receptor and, on an average lowers conformational fluctuations. Our results show that, in general, transmembrane helix VII is most affected by the absence of membrane cholesterol. These results are in overall agreement with experimental data showing enhancement of GPCR stability in the presence of membrane cholesterol. Our results constitute a molecular level understanding of GPCR-cholesterol interaction, and represent an important step in our overall understanding of GPCR function in health and disease.
}, keywords = {GPCR, Membrane cholesterol, molecular dynamics simulation, serotonin(1A) receptor}, issn = {0968-7688}, doi = {10.3109/09687688.2015.1096971}, author = {Patra, Swarna M. and Chakraborty, Sudip and Shahane, Ganesh and Prasanna, Xavier and Sengupta, Durba and Maiti, Prabal K. and Chattopadhyay, Amitabha} } @article { ISI:000360415500033, title = {Diffusion of small solute particles in viscous liquids: cage diffusion, a result of decoupling of solute-solvent dynamics, leads to amplification of solute diffusion}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {34}, year = {2015}, month = {AUG}, pages = {11169-11175}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We study the diffusion of small solute particles through solvent by keeping the solute solvent interaction repulsive and varying the solvent properties. The study involves computer simulations, development of a new model to describe diffusion of small solutes in a solvent, and also mode coupling theory (MCT) calculations. In a viscous solvent, a small solute diffuses via coupling to the solvent hydrodynamic modes and also through the transient cages formed by the solvent. The model developed can estimate the independent contributions from these two different channels of diffusion. Although the solute diffusion in all the systems shows an amplification, the degree of it increases with solvent viscosity. The model correctly predicts that when the solvent viscosity is high, the solute primarily diffuses by exploiting the solvent cages. In such a scenario the MCT diffusion performed for a static solvent provides a correct estimation of the cage diffusion.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b03034}, author = {Acharya, Sayantan and Nandi, Manoj K. and Mandal, Arkajit and Sarkar, Sucharita and Bhattacharyya, Sarika Maitra} } @article { ISI:000362438300008, title = {Dinuclear salen cobalt complex incorporating Y(OTf)(3): enhanced enantioselectivity in the hydrolytic kinetic resolution of epoxides}, journal = {RSC Advances}, volume = {5}, number = {101}, year = {2015}, month = {SEP}, pages = {82699-82703}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The activation of inactive Jacobsen{\textquoteright}s chiral salen Co(II) (salen = N,N{\textquoteright}-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine) compound is attained by dinuclear chiral salen Co(III)-OTf complex formation with yttrium triflate. The yttrium metal not only displays a promoting effect on electron transfer, but also assists in forming two stereocentres of a Lewis acid complex with Co(III)-OTf. We found that the binuclear Co-complex significantly enhanced reactivity and enantioselectivity in the hydrolytic kinetic resolution of terminal epoxides compared to its analogous monomer and kinetic data are also consistent with these results.
}, issn = {2046-2069}, doi = {10.1039/c5ra12408e}, author = {Patel, Deepak and Kurrey, Ganesh Ram and Shinde, Sandip S. and Kumar, Pradeep and Kim, Geon-Joong and Thakur, Santosh Singh} } @article { ISI:000355093500003, title = {Direct glycosylation of unprotected and unactivated sugars using bismuth nitrate pentahydrate}, journal = {Journal of Carbohydrate Chemistry}, volume = {34}, number = {4}, year = {2015}, month = {MAY}, pages = {196-205}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
Bi(NO3)(3), a low-cost, mild, and environmentally green catalyst, has been successfully utilized for Fischer glycosylation for the synthesis of alkyl/aryl glycopyranosides by reacting unprotected sugars, namely, D-glucose, L-rhamnose, D-galactose, D-arabinose, and N-acetyl-D-glucosamine with various alcohols in good to excellent yields. The glycosides were formed with high alpha-selectivity. Further, an expedient separation of alpha- and beta-glycosides using silver nitrate-impregnated silica gel flash liquid chromatography has been developed.
}, keywords = {Bismuth nitrate, carbohydrates, Fischer glycosylation, Flash chromatography, Separation}, issn = {0732-8303}, doi = {10.1080/07328303.2015.1028585}, author = {Polanki, Innaiah K. and Kurma, Siva H. and Bhattacharya, Asish K.} } @article { ISI:000347717000009, title = {Direct synthesis of secondary amines from alcohols and ammonia catalyzed by a ruthenium pincer complex}, journal = {Catalysis Letters}, volume = {145}, number = {1}, year = {2015}, month = {JAN}, pages = {139-144}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Efficient and selective direct synthesis of secondary amines from primary alcohols and ammonia with liberation of water has been achieved, with high turnover numbers and with no generation of waste. In case of benzylic alcohols, imines rather than amines are obtained. This atom economical, environmentally benign reaction is homogenously catalyzed by a well-defined bipyridine based Ru(II)-PNN pincer complex.
}, keywords = {Alcohol, Ammonia, Homogenous catalysis, Ru-pincer complex, Secondary amine}, issn = {1011-372X}, doi = {10.1007/s10562-014-1422-2}, author = {Balaraman, Ekambaram and Srimani, Dipankar and Diskin-Posner, Yael and Milstein, David} } @conference {42954, title = {Discovery of new chemical entities against diseases of national importance :an HTS approach}, booktitle = {National Science Day, At CSIR-NCL}, year = {2015}, month = {FEB}, address = {Combi Chem-Bio Resource Center, OCD, National Chemical Laboratory, Pune - 411 008}, author = {Nawale, Laxman and Sarkar, Dhiman} } @article { ISI:000357468200016, title = {Discovery of rimonabant and its potential analogues as anti-TB drug candidates}, journal = {Medicinal Chemistry Research}, volume = {24}, number = {7}, year = {2015}, month = {JUL}, pages = {2960-2971}, publisher = {SPRINGER BIRKHAUSER}, address = {233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USA}, abstract = {
Rimonabant and its analogues have been synthesized in moderate to good yields using a simple synthetic route. All the newly synthesized compounds were subjected to in vitro screening against M. tuberculosis and M. smegmatis. The most potent analogue JMG-14 exhibits MIC value of 3.13 compared to 3.25 and 50 A mu g/ml for ethambutol and pyrazinamide, respectively. The molecular docking reveals that pyrazole ring, number and position of halogen atoms play a crucial role in deciding interactions with MTCYP-121. These findings open up a new avenue in the search of potent anti-TB drugs with rimonabant and its novel analogue JMG-14 as lead molecules.
}, keywords = {Diaryl pyrazoles, H37Rv, MTCYP-121, Mycobacterium tuberculosis, Rimonabant, tuberculosis}, issn = {1054-2523}, doi = {10.1007/s00044-015-1346-4}, author = {Gajbhiye, J. M. and More, Namita A. and Patil, Manoj D. and Ummanni, R. and Kotapalli, S. S. and Yogeeswari, P. and Sriram, D. and Masand, Vijay H.} } @article { ISI:000361601100191, title = {Dissecting leishmania infantum energy metabolism - a systems perspective}, journal = {Plos One}, volume = {10}, number = {9}, year = {2015}, month = {SEP}, pages = {Article Number: e0137976}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Leishmania infantum, causative agent of visceral leishmaniasis in humans, illustrates a complex lifecycle pertaining to two extreme environments, namely, the gut of the sandfly vector and human macrophages. Leishmania is capable of dynamically adapting and tactically switching between these critically hostile situations. The possible metabolic routes ventured by the parasite to achieve this exceptional adaptation to its varying environments are still poorly understood. In this study, we present an extensively reconstructed energy metabolism network of Leishmania infantum as an attempt to identify certain strategic metabolic routes preferred by the parasite to optimize its survival in such dynamic environments. The reconstructed network consists of 142 genes encoding for enzymes performing 237 reactions distributed across five distinct model compartments. We annotated the subcellular locations of different enzymes and their reactions on the basis of strong literature evidence and sequence-based detection of cellular localization signal within a protein sequence. To explore the diverse features of parasite metabolism the metabolic network was implemented and analyzed as a constraint-based model. Using a systems-based approach, we also put forth an extensive set of lethal reaction knockouts; some of which were validated using published data on Leishmania species. Performing a robustness analysis, the model was rigorously validated and tested for the secretion of overflow metabolites specific to Leishmania under varying extracellular oxygen uptake rate. Further, the fate of important non-essential amino acids in L. infantum metabolism was investigated. Stage-specific scenarios of L. infantum energy metabolism were incorporated in the model and key metabolic differences were outlined. Analysis of the model revealed the essentiality of glucose uptake, succinate fermentation, glutamate biosynthesis and an active TCA cycle as driving forces for parasite energy metabolism and its optimal growth. Finally, through our in silico knockout analysis, we could identify possible therapeutic targets that provide experimentally testable hypotheses.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0137976}, author = {Subramanian, Abhishek and Jhawar, Jitesh and Sarkar, Ram Rup} } @article { ISI:000353931000022, title = {Dissociation of equimolar mixtures of aqueous carboxylic acids in ionic liquids: role of specific interactions}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {17}, year = {2015}, month = {APR}, pages = {5537-5545}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Hammett acidity function observes the effect of protonation/deprotonation on the optical density/absorbance of spectrophotometric indicator. In this work, the Hammett acidity, H-0, of equirriolar mixtures of aqueous HCOQH, CH3COOH, and CH3CH2COOH was measured in 1-methylimidazolium-, 1-methylpyrrolidinium-, and 1-methylpiperidinium-based protic ionic liquids (PILs) and 1-buty1-3-methylimidazolium-based aprotic ionic liquid (AIL), with formate (HCOO-) anion. Higher H-0 values were observed for the equimolar mixtures of aqueous carboxylic acids in protic ionic liquids compared with those of the aprotic ionic liquid because of the involvement of the stronger specific interactions between the conjugate acid of ionic liquid and conjugate base of carboxylic acids as suggested by the hard soft acid base (HSAB) theory. The different Ho values for the equimolar mixtures of aqueous carboxylic acids in protic and aprotic ionic liquids were noted to depend on the activation energy of proton transfer (E-a,H(+)). The higher activation energy of proton transfer was obtained in AIL indicating lower ability to form specific interactions with solute than that of PILs. Thermodynamic parameters determined by the {\textquoteleft}{\textquoteleft}indicator overlapping method{\textquoteright}{\textquoteright} further confirmed the involvement of the secondary interactions in the dissociation of carboxylic acids. On the basis of the thermodynamic parameter values, the potential of different ionic liquids in the dissociation of carboxylic acids was observed to depend on the hydrogen bond donor acidity (alpha) and hydrogen bond acceptor basicity (beta), characteristics of specific interactions.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b00056}, author = {Shukla, Shashi Kant and Kumar, Anil} } @article { ISI:000353720700004, title = {Distinct molecular features facilitating ice-binding mechanisms in hyperactive antifreeze proteins closely related to an Antarctic sea ice bacterium}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {33}, number = {7}, year = {2015}, month = {JUL}, pages = {1424-1441}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
Antifreeze proteins or ice-binding proteins (IBPs) facilitate the survival of certain cellular organisms in freezing environment by inhibiting the growth of ice crystals in solution. Present study identifies orthologs of the IBP of Colwellia sp. SLW05, which were obtained from a wide range of taxa. Phylogenetic analysis on the basis of conserved regions (predicted as the {\textquoteleft}ice-binding domain{\textquoteright} [IBD]) present in all the orthologs, separates the bacterial and archaeal orthologs from that of the eukaryotes{\textquoteright}. Correspondence analysis pointed out that the bacterial and archaeal IBDs have relatively higher average hydrophobicity than the eukaryotic members. IBDs belonging to bacterial as well as archaeal AFPs contain comparatively more strands, and therefore are revealed to be under higher evolutionary selection pressure. Molecular docking studies prove that the ice crystals form more stable complex with the bacterial as well as archaeal proteins than the eukaryotic orthologs. Analysis of the docked structures have traced out the ice-binding sites (IBSs) in all the orthologs which continue to facilitate ice-binding activity even after getting mutated with respect to the well-studied IBSs of Typhula ishikariensis and notably, all these mutations performing ice-binding using {\textquoteleft}anchored clathrate mechanism{\textquoteright} have been found to prefer polar and hydrophilic amino acids. Horizontal gene transfer studies point toward a strong selection pressure favoring independent evolution of the IBPs in some polar organisms including prokaryotes as well as eukaryotes because these proteins facilitate the polar organisms to acclimatize to the adversities in their niche, thus safeguarding their existence.
}, keywords = {antifreeze proteins, horizontal gene transfer, ice-recrystallization inhibition, Molecular docking, Phylogenetic analysis}, issn = {0739-1102}, doi = {10.1080/07391102.2014.952665}, author = {Banerjee, Rachana and Chakraborti, Pratim and Bhowmick, Rupa and Mukhopadhyay, Subhasish} } @article { ISI:000365203000020, title = {Doxorubicin-conjugated beta-NaYF4:Gd3+/Tb3+ multifunctional, phosphor nanorods: a multimodal, luminescent, magnetic probe for simultaneous optical and magnetic resonance imaging and an excellent pH-triggered anti-cancer drug delivery nanovehicle}, journal = {Nanoscale}, volume = {7}, number = {46}, year = {2015}, month = {OCT}, pages = {19501-19518}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein, we report the fabrication of a multifunctional nanoprobe based on highly monodispersed, optically and magnetically active, biocompatible, PEI-functionalized, highly crystalline beta-NaYF4:Gd3+/Tb3+ nanorods as an excellent multi-modal optical/magnetic imaging tool and a pH-triggered intracellular drug delivery nanovehicle. The static and dynamic photoluminescence spectroscopy showed the presence of sharp emission peaks, with long lifetimes (similar to 3.5 milliseconds), suitable for optical imaging. The static magnetic susceptibility measurements at room temperature showed a strong paramagnetic signal (chi similar to 3.8 x 10(-5) emu g(-1) Oe(-1)). The nuclear magnetic resonance (NMR) measurements showed fair T-1 relaxivity (r(1) = 1.14 s(-1) mM(-1)) and magnetic resonance imaging gave enhanced T-1-weighted MRI images with increased concentrations of beta-NaYF4:Gd3+/Tb3+ making them suitable for simultaneous magnetic resonance imaging. In addition, an anticancer drug, doxorubicin (DOX) was conjugated to the amine-functionalized beta-NaYF4:Gd3+/Tb3+ nanorods via pH-sensitive hydrazone bond linkages enabling them as a pH-triggered, site-specific drug delivery nanovehicle for DOX release inside tumor cells. A comparison between in vitro DOX release studies undertaken in normal physiological (pH 7.4) and acidic (pH 5.0) environments showed an enhanced DOX dissociation (similar to 80\%) at pH 5.0. The multifunctional material was also applied as an optical probe to confirm the conjugation of DOX and to monitor DOX release via a fluorescence resonance energy transfer (FRET) mechanism. The DOX-conjugated beta-NaYF4:Gd3+/Tb3+ nanorods exhibited a cytotoxic effect on MCF-7 breast cancer cells and their uptake by MCF-7 cells was demonstrated using confocal laser scanning microscopy and flow cytometry. The comparative cellular uptakes of free DOX and DOX-conjugated beta-NaYF4:Gd3+/Tb3+ nanorods were studied in tumor microenvironment conditions (pH 6.5) using confocal imaging, which showed an increased uptake of DOX-conjugated beta-NaYF4:Gd3+/Tb3+ nanorods. Thus, DOX-conjugated beta-NaYF4:Get(3+)/Tb3+ nanorods combining pH-triggered drug delivery, efficient luminescence and paramagnetic properties are promising for a potential multifunctional platform for cancer therapy, biodetection, and optical and magnetic resonance imaging.
}, issn = {2040-3364}, doi = {10.1039/c5nr04473a}, author = {Padhye, Preeti and Alam, Aftab and Ghorai, Suvankar and Chattopadhyay, Sarnit and Poddar, Pankaj} } @article { ISI:000351970000002, title = {Dripping dynamics of newtonian liquids from a tilted nozzle}, journal = {European Journal of Mechanics B-Fluids}, volume = {51}, year = {2015}, month = {MAY-JUN}, pages = {8-15}, publisher = {GAUTHIER-VILLARS/EDITIONS ELSEVIER}, address = {23 RUE LINOIS, 75015 PARIS, FRANCE}, abstract = {
The dripping dynamics of Newtonian liquids emanating from an inclined nozzle is studied. The fluid viscosity mu flow rate Q, nozzle radius R, and inclination angle theta have been varied independently. The drop breakup times and the different modes of dripping have been identified using high speed imaging. A phase diagram showing the transition between the dripping modes for different theta is constructed in the (We, Ka) space, where We (Weber number) measures the relative importance of inertia to surface tension force and Ka (Kapitza number) measures the relative importance of viscous to surface tension forces. At low values of We and Ka, the system shows a transition from period-1 to limit cycle before chaos. The limit cycle region narrows down with increase in inclination. Further increase in the values of We and Ka gives a direct transition from period-1 to chaos. The new experiments reveal that in the period-1 region, increasing the nozzle inclination angle theta results in lowering of the drop breakup time t(b), suggesting that the surface tension forces cannot hold the drops longer despite the weakened effective gravitational pull. This counter-intuitive finding is further corroborated by pendant drop experiments and computations. More curiously, throughout the period-1 regime, the drop volume is independent of the flow rate. This resulted in a relatively simple correlation for the dimensionless drop volume V = 1.3G(-1)Ka(0.02)(cos theta)(0.37) accurate to within 10\% over wide ranges of the independent variables. (C) 2014 Elsevier Masson SAS. All rights reserved.
}, keywords = {Asymmetric dripping, Breakup time, Drop volume, Inclined nozzle, Phase diagram}, issn = {0997-7546}, doi = {10.1016/j.euromechflu.2014.12.004}, author = {Taur, Amaraja and Doshi, Pankaj and Yeoh, Hak Koon} } @article { ISI:000368141200024, title = {Drug-drug molecular salt hydrate of an anticancer drug gefitinib and a loop diuretic drug furosemide: an alternative for multidrug treatment}, journal = {Journal of Pharmaceutical Sciences}, volume = {104}, number = {12}, year = {2015}, month = {DEC}, pages = {4207-4216}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A 1:1 monohydrate salt containing gefitinib, an orally administrated chemotherapy treatment for lung and breast cancers and furosemide, a loop diuretic drug, commonly used in the treatment of hypertension and edema, has been prepared. The molecular salt crystallized in triclinic P-1 space group. The CO bond lengths (similar to 1.26 angstrom) in the COOH group show that proton transfer has occurred from furosemide to morpholine moiety of the gefitinib suggesting cocrystal to be ionic. The morpholine moiety of the gefitinib showed significant conformational change because of its involvement in conformation dictating the strong N-H center dot center dot center dot O hydrogen bonding interaction. The strong hydrogen bonding interaction between gefitinib and furosemide places their benzene rings in stacking mode to facilitate the generation of pi-stack dimers. The neighboring dimers are bridged to each other via water molecule through N-H center dot center dot center dot O, C-H center dot center dot center dot O, O-H center dot center dot center dot N, and O-H center dot center dot center dot O interactions. The remarkable stability of the salt hydrate could be attributed to the strong hydrogen bonding interactions in the crystal structure. Interestingly, release of water from the lattice at 140 degrees C produced new anhydrous salt that has better solubility and dissolution rate than salt hydrate. The drug-drug molecular salt may have some bearing on the treatment of patient suffering from anticancer and hypertension. (C) 2015 Wiley Periodicals, Inc. and the American Pharmacists Association
}, keywords = {cancer chemotherapy, cocrystals, crystal engineering, crystal structure, dissolution rate, hydrate, phase transition, solubility, stability, thermal analysis}, issn = {0022-3549}, doi = {10.1002/jps.24651}, author = {Thorat, Shridhar H. and Sahu, Sanjay Kumar and Patwadkar, Manjusha V. and Badiger, Manohar V. and Gonnade, Rajesh G.} } @article { ISI:000365700200007, title = {Dynamics of gli regulation and a strategy to control cancerous situation: hedgehog signaling pathway revisited}, journal = {Journal of Biological Systems}, volume = {23}, number = {4}, year = {2015}, month = {DEC}, pages = {681-719}, publisher = {WORLD SCIENTIFIC PUBL CO PTE LTD}, address = {5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE}, abstract = {
The hedgehog signaling cascade generates highly diverse, fine-tuned responses in response to the external stimulus by the sonic hedgehog (SHH) protein. This is required for the flawless functioning of the cell, its development, survival and proliferation; maintained through production of Glioma protein (GLI) and transcriptional activation of its target genes. Any change in the behavior of GLI response by ectopic expression of SHH or mutations in the core pathway components may cause serious consequences in the cell fate through rapid, uncontrolled and elevated production of GLI. Here, we present a simple but extensive computational model that considers the detailed reaction mechanisms involved in the hedgehog signal transduction and provides a detailed insight into regulation of GLI. For the first time, by explicit involvement of suppressor of fused (SUFU) and Hedgehog interacting protein (HHIP) reaction kinetics in the model, we try to demonstrate the vital importance of HHIP and SUFU in maintaining the graded response of GLI in response to SHH. By performing parameter variations, we capture the conversion of a graded response of GLI to an ultrasensitive switch under SUFU-deficient conditions that might predispose abnormal embryonic development and the irreversible switching response of GLI that corresponds to signal-independent pathway activation observed in cancers.
}, keywords = {GLI Dynamics, Graded Response, Hedgehog Signaling Pathway, Ligand-Dependent and -Independent Pathway Activation, Ultrasensitive and Irreversible Switch}, issn = {0218-3390}, doi = {10.1142/S0218339015500333}, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article { ISI:000354478700007, title = {Easy {\textquoteleft}filter-and-separate{\textquoteright} method for enantioselective separation and chiral sensing of substrates using a biomimetic homochiral polymer}, journal = {Chemical Communications}, volume = {51}, number = {43}, year = {2015}, month = {APR}, pages = {8931-8934}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We present a polyfluorene appended with protected L-glutamic acid that exhibited a reversible alpha-helix/beta-sheet-like conformation and helical porous fibrous morphology mimicking the super-structure of proteins. The new homochiral polymer probe enabled efficient heterogeneous enantioselective separation and chiral sensing of a wide variety of substrates from their aqueous racemic mixture using an easy {\textquoteleft}Filter-and-Separate{\textquoteright} method.
}, issn = {1359-7345}, doi = {10.1039/c5cc01532d}, author = {Senthilkumar, T. and Asha, S. K.} } @article { ISI:000349853500010, title = {Eco-friendly enzymatic dehairing of skins and hides by C-brefeldianus protease}, journal = {Clean Technologies and Environmental Policy}, volume = {17}, number = {2}, year = {2015}, month = {FEB}, pages = {393-405}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Alkaline protease from Conidiobolus brefeldianus was efficient in unhairing various types of skins and hides. The crude protease preparation was active toward keratin-azure, elastin-orcin, azocasein, and azocoll, but did not show true collagenase activity. In addition, the crude enzyme exhibited other enzyme activities such as chondroitinase, laminarase, and chitinase. Complete hair removal of skin/hide by the protease achieved in 16-18 h. The dehaired pelt showed smooth and white appearance due to hair removal along with epidermal layer. In addition, the grain was clean and without damage in enzymatically dehaired pelts. The microscopic observation of the cross-section of dehaired goat skin and cow hide showed absence of epidermis, hair shaft with empty follicles. Enzymatic dehairing resulted in complete and uniform fiber opening in the dermis and corium region. Physical properties viz. tensile strength, elongation, and tear strength of dyed crust of enzymatically and conventionally dehaired pelts were comparable. Results were also validated on large scale with goat skins and cow hides.
}, keywords = {Alkaline Protease, Conidiobolus brefeldianus, Cow hides, Dehaired pelts, Enzymatic dehairing, Sheep skins}, issn = {1618-954X}, doi = {10.1007/s10098-014-0791-y}, author = {Khandelwal, Harish B. and More, Snehal V. and Kalal, K. M. and Laxman, Ryali Seeta} } @article { ISI:000360889600001, title = {Ecological turmoil in evolutionary dynamics of plant-insect interactions: defense to offence}, journal = {Planta}, volume = {242}, number = {4}, year = {2015}, month = {OCT}, pages = {761-771}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Available history manifests contemporary diversity that exists in plant-insect interactions. A radical thinking is necessary for developing strategies that can co-opt natural insect-plant mutualism, ecology and environmental safety for crop protection since current agricultural practices can reduce species richness and evenness. The global environmental changes, such as increased temperature, CO (2) and ozone levels, biological invasions, land-use change and habitat fragmentation together play a significant role in re-shaping the plant-insect multi-trophic interactions. Diverse natural products need to be studied and explored for their biological functions as insect pest control agents. In order to assure the success of an integrated pest management strategy, human activities need to be harmonized to minimize the global climate changes. Plant-insect interaction is one of the most primitive and co-evolved associations, often influenced by surrounding changes. In this review, we account the persistence and evolution of plant-insect interactions, with particular focus on the effect of climate change and human interference on these interactions. Plants and insects have been maintaining their existence through a mutual service-resource relationship while defending themselves. We provide a comprehensive catalog of various defense strategies employed by the plants and/or insects. Furthermore, several important factors such as accelerated diversification, imbalance in the mutualism, and chemical arms race between plants and insects as indirect consequences of human practices are highlighted. Inappropriate implementation of several modern agricultural practices has resulted in (i) endangered mutualisms, (ii) pest status and resistance in insects and (iii) ecological instability. Moreover, altered environmental conditions eventually triggered the resetting of plant-insect interactions. Hence, multitrophic approaches that can harmonize human activities and minimize their interference in native plant-insect interactions are needed to maintain natural balance between the existence of plants and insects.
}, keywords = {Climatic change, Co-evolution, Ecosystem, Human interference, Plant-insect interaction}, issn = {0032-0935}, doi = {10.1007/s00425-015-2364-7}, author = {Mishra, Manasi and Lomate, Purushottam R. and Joshi, Rakesh S. and Punekar, Sachin A. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000355703700056, title = {Effect of alkali and alkaline earth metal ions on benzyl alcohol oxidation activity of titanate nanotube-supported Au catalysts}, journal = {RSC Advances}, volume = {5}, number = {59}, year = {2015}, month = {MAY}, pages = {47740-47748}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Sodium titanate nanotubes (NaTNTs) were prepared by alkali treatment of anatase titania. They were then ion-exchanged with alkali and alkaline earth metal ions to get ATNTs (A = Li+, K+, Cs+, Mg2+, Ca2+, Sr2+ and Ba2+). Gold (1-5 wt\%) was supported on these nanotubes by a deposition-precipitation method and investigated as a catalyst for the selective oxidation of benzyl alcohol with air/molecular oxygen (1 atm) under solvent-and alkali-free conditions. Detailed characterization by X-ray powder diffraction, high resolution transmission electron microscopy, N-2-physisorption, diffuse reflectance UV-visible spectroscopy, X-ray photoelectron spectroscopy and CO2-temperature-programmed desorption techniques revealed that the basicity of the catalyst influences the uptake, mean particle size, electronic properties and oxidation activity of the supported gold. Benzaldehyde formed with a selectivity of about 99\%. The catalytic activity (turnover frequency) was found to have a direct relationship with the basicity and an inverse relationship with the Au particle size. Among the catalysts investigated, Au/BaTNTs, having higher basicity, smaller Au particles and higher metal dispersion, showed enhanced catalytic activity than the other Au/ATNT catalysts. Pd addition to Au leading to Au-Pd/BaTNTs increased the activity (TOF) but lowered the selectivity for benzaldehyde (80 wt\%). Titanate nanotubes donate electron density to Au particles, yielding electron rich Au ions, which are responsible for activating molecular oxygen and oxidizing benzyl alcohol. Au/BaTNTs, having higher basicity and lower size Au nanoparticles than the other Au/ATNT, activates molecular oxygen more easily and thereby enhances the catalytic activity.
}, issn = {2046-2069}, doi = {10.1039/c5ra06496a}, author = {Nepak, Devadutta and Srinivas, Darbha} } @article { ISI:000349580800008, title = {Effect of b site coordination environment in the ORR activity in disordered brownmillerites Ba2In2-xCexO5+delta}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {5}, year = {2015}, month = {FEB}, pages = {3041-3049}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Ba2In2O5 brownmillerites in which the In site is progressively doped with Ce exhibit excellent oxygen reduction activity under alkaline conditions. Ce doping leads to structural changes advantageous for the reaction. Twenty-five percent doping retains the ordered structure of brownmillerite with alternate layers of tetrahedra and octahedra, whereas further increase in Ce concentration creates disorder. Structures with disordered oxygen atoms/vacancies are found to be better oxygen reduction reaction catalysts probably aided by isotropic ionic conduction, and Ba2In0.5Ce1.5O5+delta is the most active. This enhanced activity is correlated to the more symmetric Ce site coordination environment in this compound. Stoichiometric perovskite BaCeO3 with the highest concentration of Ce shows very poor activity emphasizing the importance of oxygen vacancies, which facilitate O-2 adsorption, in tandem with catalytic sites in oxygen reduction reactions.
}, keywords = {brownmillerite, fuel cell, oxygen disorder, oxygen reduction reaction, Rietveld refinement}, issn = {1944-8244}, doi = {10.1021/am5087837}, author = {Jijil, Chamundi P. and Bhange, Siddheshwar N. and Kurungot, Sreekumar and Devi, R. Nandini} } @article { ISI:000363775800020, title = {Effect of interfacial mass transfer on the dispersion in segmented flow in straight capillaries}, journal = {AICHE Journal}, volume = {61}, number = {12}, year = {2015}, month = {DEC}, pages = {4294-4308}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
The effect of interfacial mass transfer on the extent of dispersion in liquid-liquid segmented flow in straight capillaries is studied. In the absence of interfacial mass transfer, dispersion coefficient was seen to go through a minimum with increasing flow rates. In the presence of mass transfer, physicochemical properties of both the phases and slug lengths were seen to vary along the capillary length. The extent of dispersion was always higher in the presence of interfacial mass transfer. The predictions using axial dispersion model deviated noticeably for larger capillaries as the model does not account for varying buoyancy, dynamic contacting, and Marangoni convection. Simulations of a first-order interfacial reaction considering varying slug lengths showed a significant change in optimum operating parameters than the conventional approach. A special case of drop-on-demand type of controlled two-phase flow in capillaries was also studied. (c) 2015 American Institute of Chemical Engineers.
}, keywords = {capillary, dispersion, interfacial mass transfer, segmented flow, slugs}, issn = {0001-1541}, doi = {10.1002/aic.14945}, author = {Deshpande, Jaydeep B. and Kulkarni, Amol A.} } @article {42994, title = {Effect of lipid bilayer composition on membrane protein association}, journal = {Advances in Planar Lipid Bilayers and Liposomes}, volume = {22}, year = {2015}, month = {JUL}, pages = {43{\textendash}63}, abstract = {
Diverse cellular functions are supported by membrane protein assemblies associated with the cell membrane. Although considered to be protein-mediated, membrane components are now being recognized as critical in modulating and sometime dictating function. This chapter discusses the effect of the lipid bilayer, in particular its composition on membrane protein organization. Computational methods have been successful in quantifying transmembrane protein association and general features of dimerization profiles are explored. Understanding the molecular basis of the interactions has lead to the recognition of the lipophobic effects. These nonspecific effects include those that arise from membrane perturbations and lipid chain packing and have been shown to modulate the energetics as well as the structural characteristics of membrane protein dimerization. In addition, specific interactions arising from direct protein{\textendash}lipid interactions and protein{\textendash}cholesterol interactions have been suggested to influence membrane protein association. We summarize here a few examples highlighting the role of the lipid bilayer on membrane protein organization.
}, doi = {10.1016/bs.adplan.2015.06.001}, author = {Pawar, Aiswarya B. and Prasanna, Xavier and Sengupta, Durba} } @article {43022, title = {Effect of nutritional factors on growth and L-asparaginase production by three thermophilic coprophilous fungi}, journal = {Current Research in Microbiology Biotechnology}, volume = {3}, year = {2015}, month = {AUG}, pages = {707-712}, abstract = {
The present study aimed to investigate the effect of nutritional factors on L-asparaginase production by three thermophilic caprophilous fungi (Thielavia terrestris, Malbranchea cinnamomea and Scytalidium thermophilum) was assessed in YES medium by substituting starch and L-asparagine so as to supply equal amount of carbon and nitrogen sources respectively. D-glucose, starch, maltose and mannitol were best source for growth and L-asparaginase production by all three thermophilic caprophilous fungi under investigation. Similarly L-asparagine, L-arginine, L-tyrosine and L-histidine were good nitrogen sources for both growth and L-asparaginase production. Production of the variance of the data showed the significant difference (P\<0.05) among the three thermophilic caprophilous fungi with regards to carbon and nitrogen source.
}, author = {Ajmeera, Shanthi Priya and Rao, Vankudoth Koteswara and Sreelatha, B. and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article { ISI:000345895200048, title = {Effect of Pd and Ce on the enhancement of ethanol vapor response of SnO2 thick films}, journal = {Sensors and Actuators B-Chemical}, volume = {207}, number = {A}, year = {2015}, month = {FEB}, pages = {383-390}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
The undoped SnO2 and 4 wt\% Ce-doped SnO2 were successfully synthesized by a facile co-precipitation route. The ternary systems were prepared by Pd-loading (0.5, 1.5 and 3.0 wt\%) on the 4 wt\% Ce-doped SnO2 nanoparticles. The structure and morphology of the nanocrystalline powders were investigated by X-ray diffraction, scanning electron microscopy and transmission electron microscopy techniques. The nanocrystalline powders were screen printed on the alumina substrates to form thick films to investigate their gas response properties. The gas response studies reveal that 4 wt\% Ce-doped SnO2 with the loading of 3.0 wt\% Pd exhibits high response (88\%) towards ethanol (100 ppm) at an operating temperature of 250 degrees C with quick response (6 s) and rapid recovery (20 s). The high ethanol vapor response at lower operating temperature of this sensor is attributed to the spill-over mechanism of Pd particles present on the SnO2 surface and enhancement in alkalescence of SnO2 due to Ce-doping. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Ce-doped tin oxide, Gas sensor, Semiconductor, Thick film}, issn = {0925-4005}, doi = {10.1016/j.snb.2014.10.021}, author = {Bagal, L. K. and Patil, J. Y. and Vaishampayan, M. V. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000354137000012, title = {Effects of careful designing of SAPO-44 catalysts on the efficient synthesis of furfural}, journal = {Catalysis Today}, volume = {251}, year = {2015}, note = {7th Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT), Kyoto, JAPAN, JUN 01-06, 2014}, month = {AUG}, pages = {66-72}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Considering the growing importance of furfural, it is necessary to develop a robust solid acid catalyst for the conversion of xylan (hemicelluloses) into furfural in a one-pot method. In this study, the effects of various components (Si, Al and P) and crystallization time on the preparation of acidic materials and their properties are extensively described. It is seen that with the increase in crystallization time (0, 48, 96, 176 h) during the synthesis of silicoaluminophosphate (SAPO-44), materials morphology changes from amorphous to AFI to CHA and the best activity for furfural synthesis (82\%) from xylan was observed with SAPO-44 catalyst aged for 176 h. Since, acidity in the SAPO-44 is guided by the incorporation of Si in the ALPO framework, study on Si molar concentration (0.8, 1.0, 1.2, 1.4 and 1.6) in SAPO-44 was carried out and it was observed that SAPO-44 having 1.0 mole of Si content is the best catalyst for the xylan/xylose conversion to furfural. Catalyst structure-activity correlation is thoroughly defined with the help of several physico-chemical properties. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Biomass, furfural, Hemicellulose, SAPO-44, Xylose}, issn = {0920-5861}, doi = {10.1016/j.cattod.2014.10.042}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @proceedings {43018, title = {Efficacy of food preservatives and volatile compounds in the control of ochratoxin a production by penicillium species}, volume = {85}, year = {2015}, month = {MAR}, abstract = {
In the present investigation different volatile compounds and food preservatives were tested for their efficiency in the control of growth and ochratoxin A (OTA) production by Penicillium verrucosum and Penicillium nordicum. Volatiles such as phenols and formic acid which have no residual effect were proved to be effective in checking the growth and OTA production by both the species of Penicillium under study. Vapours of phenols and formic acid significantly inhibited OTA produced by P. verrucosum, while aniline and toluene inhibited the OTA production by P. nordicum to a significant level. A positive correlation coefficient was observed between the growth and toxin production by P. verrucosum (0.55) and P. nordicum (0.66) against different volatile compounds tried. Among food preservatives, sodium acetate and sodium metabisulphate were responsible for total inhibition of OTA production by P. verrucosum at 150 lg/ml concentration. P. nordicum proved to be comparatively more resistant to these substances than P. verrucosum. In conclusion of present investigation, phenol, formic acid, amyl alcohol, propionic acid, sodium acetate and sodium metabisulphate were found to be effective in checking the growth and OTA production by both the species of Penicillium under investigation, and can be exploited in protecting the poultry feed from unwanted mould growth and mycotoxin production.
}, doi = {10.1007/s40011-015-0513-1}, author = {Vankudoth, Koteswara Rao and Rao, K. Narasimha and Sivadevuni, Girisham and Reddy, S. M.} } @conference {42950, title = {Efficacy study of potential anti-tubercular molecules: in-vitro and ex-vivo}, booktitle = {National Science Day}, year = {2015}, month = {FEB}, address = {National Chemical Laboratory, Pune 411008}, abstract = {
Tuberculosis: Infectious disease caused by the bacillus Mycobacterium tuberculosis Second leading infectious killer after HIV/AIDS In 2013, 8.6 million TB cases were reported out of which 1.3 million died Emergence of Multi-drug resistant TB (MDR-TB) and extremely drug resistant TB (XDR) for which no drugs are available. Latency being a cause of recurring TB infection is a major problem in eradication of TB
}, author = {Nawale, Laxman and Sarkar, Dhiman} } @article { ISI:000352546100012, title = {Efficient access to enantiopure 1,3-disubstituted isoindolines from selective catalytic fragmentation of an original desymmetrized rigid overbred template}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {15}, year = {2015}, month = {MAR}, pages = {4438-4448}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An efficient and scalable synthesis of various enantiopure 1,3-disubstituted isoindolines is reported. The base catalyzed nucleophilic fragmentation of a rigid overbred template is established with various substrates to afford the corresponding 1,3-disubstituted isoindoline ester, amide, thioate, 1,3-amino alcohol and isoindolylcarboxylic acid. The crucial rigid overbred template is synthesized in an optically pure form in multigram scale by asymmetric desymmetrization of the corresponding meso compound.
}, issn = {1477-0520}, doi = {10.1039/c5ob00229j}, author = {Pandey, Ganesh and Varkhedkar, Rajesh and Tiwari, Divya} } @article { ISI:000347609400069, title = {Efficient Ag-nanoparticle embedded semi-IPN hydrogel for catalytic applications}, journal = {RSC Advances}, volume = {5}, number = {10}, year = {2015}, month = {DEC}, pages = {7567-7574}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Silver nanoparticle embedded semi-IPN hydrogels based on a combination of poly(acrylamide) and poly(aspartic acid) were synthesized. These semi-IPN hydrogel networks can potentially serve as micro or nano reactors for entrapment of metal nanoparticles. Current methodology allows us to entrap metal nanoparticles throughout hydrogel networks via poly(aspartic acid) chains which are dispersed homogeneously in the gel matrix. The Ag-NPs were characterized by UV-vis absorption spectroscopy, transmission electronic microscopy (TEM), X-ray diffraction (XRD) and energy dispersive X-ray analysis (EDAX). The Ag embedded hydrogels catalyze the reduction of 4-nitrophenol to 4-aminophenol in the presence of NaBH4 very efficiently at room temperature with good recyclability upto 3 cycles.
}, issn = {2046-2069}, doi = {10.1039/c4ra14594a}, author = {Patwadkar, Manjusha V. and Gopinath, Chinnakonda S. and Badiger, Manohar V.} } @article { ISI:000347150700005, title = {Efficient method for the conversion of agricultural waste into sugar alcohols over supported bimetallic catalysts}, journal = {Bioresource Technology}, volume = {178}, year = {2015}, month = {FEB}, pages = {36-44}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Promoter effect of Sn in the PtSn/gamma-Al2O3 (AL) and PtSn/C bimetallic catalysts is studied for the conversion of variety of substrates such as, C5 sugars (xylose, arabinose), C6 sugars (glucose, fructose, galactose), hemicelluloses (xylan, arabinogalactan), inulin and agricultural wastes (bagasse, rice husk, wheat straw) into sugar alcohols (sorbitol, mannitol, xylitol, arabitol, galactitol). In all the reactions, PtSn/AL showed enhanced yields of sugar alcohols by 1.5-3 times than Pt/AL. Compared to C, AL supported bimetallic catalysts showed prominent enhancement in the yields of sugar alcohols. Bimetallic catalysts characterized by X-ray diffraction study revealed the stability of catalyst and absence of alloy formation thereby indicating that Pt and Sn are present as individual particles in PtSn/AL. The TEM analysis also confirmed stability of the catalysts and XPS study disclosed formation of electron deficient Sn species which helps in polarizing carbonyl bond to achieve enhanced hydrogenation activity. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Agricultural waste, Bimetallic catalyst, Hydrogenation, Monosaccharides, Polysaccharides}, issn = {0960-8524}, doi = {10.1016/j.biortech.2014.10.036}, author = {Tathod, Anup P. and Dhepe, Paresh Laxmikant} } @article { ISI:000359134700008, title = {Efficient one pot regioselective synthesis of a 3,3 {\textquoteleft}-spiro-phosphonylpyrazole-oxindole framework via base mediated [1,3]-dipolar cycloaddition reaction of the Bestmann-Ohira reagent with methyleneindolinones}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {32}, year = {2015}, month = {JUL}, pages = {8669-8675}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A one pot, highly regioselective synthesis of racemic 3,3{\textquoteright}-spiro-phosphonylpyrazole-oxindole by 1,3-dipolar cycloaddition of an in situ generated anion of dialkyl 1-diazomethylphosphonate from the Bestmann-Ohira reagent (BOR) \& methyleneindolinones has been developed. The synthesis affords the highly functionalized pyrazole scaffolds in good yields with excellent regioselectivity under mild reaction conditions within a short reaction time.
}, issn = {1477-0520}, doi = {10.1039/c5ob01020a}, author = {Shelke, Anil M. and Suryavanshi, Gurunath} } @article { ISI:000363828500010, title = {Efficient organocatalytic route for asymmetric total synthesis of stagonolide F}, journal = {Tetrahedron Letters}, volume = {56}, number = {45}, year = {2015}, month = {NOV}, pages = {6207-6209}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A stereoselective total synthesis of Stagonolide F (98\% ee) is described employing asymmetric alpha-aminooxylation, Jorgensen{\textquoteright}s asymmetric epoxidation, Brown asymmetric allylation, Steglich esterification and ring closing metathesis as key steps. The use of organocatalytic alpha-aminooxylation and Jorgensen{\textquoteright}s asymmetric epoxidation of aldehydes for the introduction of chirality makes this approach more attractive. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {alpha-Aminooxylation, Jorgensens{\textquoteright}s asymmetric epoxidation, Macrolide, Ring-closing metathesis, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.09.082}, author = {Shelke, Anil M. and Suryavanshi, Gurunath} } @article { ISI:000346405200060, title = {Efficient robust fluorite CeZrO4-delta oxide catalyst for the eco-benign synthesis of styrene}, journal = {RSC Advances}, volume = {5}, number = {5}, year = {2015}, month = {DEC}, pages = {3619-3626}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In this work, we have reported CeO2, ZrO2, physically mixed (PH)-CeO2/ZrO2 and fluorite CeZrO4-delta oxides and their catalytic activities for the oxidative dehydrogenation (ODH) of ethyl benzene (EB) to styrene (ST) using molecular oxygen, air and carbon dioxide as oxidants. The catalysts were prepared by a gel-combustion method followed by calcination at 600 degrees C for 6 h and subjected to catalytic activity measurements. All the catalysts were characterized and studied by various physicochemical methods. The reaction parameters were varied systematically such as different catalysts, oxidants, temperatures, EB flow and oxidant flow. CeZrO4-delta accounted for a 47\% styrene yield for 72 h without any significant deactivation under optimized reaction conditions. A thorough analysis of the spent catalysts demonstrated the robustness of the catalyst for this reaction under different oxidants and reaction conditions. Pristine CeO2 deactivated easily and the activity decreased with time on stream of the reaction.
}, issn = {2046-2069}, doi = {10.1039/c4ra12355g}, author = {Periyasamy, Kaliyappan and Aswathy, Venugopalan T. and Kumar, Venugopal Ashok and Manikandan, Marimuthu and Shukla, Rakesh and Tyagi, Avesh K. and Raja, Thirumalaiswamy} } @article { ISI:000357587500011, title = {Efficient shoots regeneration and genetic transformation of bacopa monniera}, journal = {Physiology and Molecular Biology of Plants}, volume = {21}, number = {2}, year = {2015}, month = {APR}, pages = {261-267}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Bacopa monniera is an important source of metabolites with pharmaceutical value. It has been regarded as a valuable medicinal plant and its entire commercial requirement is met from wild natural population. Recently, metabolic engineering has emerged as an important solution for sustained supply of assured and quality raw material for the production of active principles. Present report describes efficient in vitro multiplication and transformation method for geneticmanipulation of this species. MS medium supplemented with 2 mgl(-1) BA and 0.2 mgl(-1) IAA was found optimum for maximum shoot regeneration (98.33 \%) from in vitro leaves with 2-3 longitudinal cuts. Agrobacterium tumefaciens-mediated transformation method was used for generating transgenic B. monniera plants. Putative transformants were confirmed by GUS assay and PCR based confirmation of hptII gene. DNA blot analysis showed single copy insertion of transgene cassette. An average of 87.5 \% of the regenerated shoots were found PCR positive for hptII gene and GUS activity was detected in leaves of transgenic shoots at a frequency of 82.5 \% The efficient multiple shoots regeneration system described herein may help in mass production of B. monniera plant. Also, the high frequency transformation protocol described here can be used for genetic engineering of B. monniera for enhancement of its pharmaceutically important metabolites.
}, issn = {0971-5894}, doi = {10.1007/s12298-015-0290-6}, author = {Kumari, Uma and Vishwakarma, Rishi K. and Gupta, Neha and Ruby and Shirgurkar, M. V. and Khan, Bashir Mohammad} } @article { ISI:000362426800004, title = {Efficient sorption and photocatalytic degradation of malachite green dye onto NiS nanoparticles prepared using novel green approach}, journal = {Korean Journal of Chemical Engineering}, volume = {32}, number = {10}, year = {2015}, month = {OCT}, pages = {1986-1992}, publisher = {KOREAN INSTITUTE CHEMICAL ENGINEERS}, address = {F.5, 119, ANAM-RO, SEONGBUK-GU, SEOUL 136-075, SOUTH KOREA}, abstract = {
The extract of the Asparagus racemosus leaf tissue works as a stabilizing and capping agent and assists the formation of stable colloidal nanoparticles. Nanoparticles were characterized using UV-vis spectrophotometer, photoluminescence, TEM, EDAX and XRD, respectively. Transmission electron microscopy followed by selected area electron diffraction pattern analysis indicated the formation of near spherical, polydispersed, crystalline NiS of diameter ranging from 4-27 nm. X-ray diffraction studies showed the formation of 110, 101, 300, 021, 220, 221, 131, 410, 401, 321, 330 and 021 planes of hexagonal NiS. EDAX analysis confirmed the presence of Ni and S in nanosphere. The maximum sorption capacity (q (m) ) of NiS nanoparticles for MG dye was found to be 64.85 mg/g. Decolorization as well as disintegration of malachite green under white light illumination was confirmed by LC-MS studies. Results of the present study suggest that nanosized NiS can play an instrumental role in photocatalytic degradation of malachite green dye present in water bodies.
}, keywords = {Degradation, FTIR, Malachite Green, NiS Nanoparticles, TEM}, issn = {0256-1115}, doi = {10.1007/s11814-015-0041-y}, author = {Prasad, Kumar Suranjit and Prajapati, Sheel and Selvaraj, Kaliaperumal} } @article { ISI:000353831200020, title = {Electrochemical preparation of nitrogen-doped graphene quantum dots and their size-dependent electrocatalytic activity for oxygen reduction}, journal = {Bulletin of Materials Science}, volume = {38}, number = {2}, year = {2015}, month = {APR}, pages = {435-442}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Here we report a remarkable transformation of nitrogen-doped multiwalled carbon nanotubes (MWCNTs) to size selective nitrogen-doped graphene quantum dots (N-GQDs) by a two-step electrochemical method. The sizes of the N-GQDs strongly depend on the applied anodic potential, moreover increasing potential resulted in a smaller size of N-GQDs. These N-GQDs display many unusual size-dependant optoelectronic (blue emission) and electrocatalytic (oxygen reduction) properties. The presence of N dopants in the carbon framework not only causes faster unzipping of MWCNTs but also provides more low activation energy site for enhancing the electrocatalytic activity for technologically daunting reactions like oxygen reduction. The smaller size of N-GQDs has shown better performance as compared to the large N-GQDs. Interestingly, N-GQDs-3 (size = 2.5 +/- 0.3 nm, onset potential = 0.75 V) show a 30-mV higher positive onset potential shift compared to that of N-GQDs-2 (size = 4.7 +/- 0.3 nm, onset potential = 0.72 V) and 70 mV than that of N-GQDs-1 (size = 7.2 +/- 0.3, onset potential = 0.68 V) for oxygen reduction reaction (ORR) in a liquid phase. These result in the size-dependent electrocatalytic activity of N-GQDs for ORR as illustrated by the smaller sized N-GQDs (2.5 +/- 0.3 nm) undoubtedly promising metal-free electrocatalysts for fuel cell applications.
}, keywords = {fuel cells, MWCNTs, N-GQDs, oxygen reduction reaction, unzipping}, issn = {0250-4707}, doi = {10.1007/s12034-014-0834-3}, author = {Shinde, Dhanraj B. and Dhavale, Vishal M. and Kurungot, Sreekumar and Pillai, Vijayamohanan K.} } @article { ISI:000357868100006, title = {Electrochemically exfoliated black phosphorus nanosheets - prospective field emitters}, journal = {European Journal of Inorganic Chemistry}, number = {19}, year = {2015}, month = {JUL}, pages = {3102-3107}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Herein we report field emission (FE) investigations on an electrochemically exfoliated few-layered black phosphorus nanosheet emitter at a base pressure of approximately 1x10(-8) mbar. The turn-on electric field required to draw an emission current density of approximately 10 A/cm(2) is found to be about 4.2 V/m. Furthermore, few-layered black phosphorus nanosheet emitters deliver an emission current density of about 170 A/cm(2) at an applied field of about 7.5 V/m. The emission current vs. time plot measured at preset current values of about 5 A shows emission current fluctuations within +/- 10\% of the average value, indicating the highly stable nature of the black phosphorus field emitter. Thus, the 2D black phosphorus nanosheets synthesized using the simple electrochemical exfoliation method can be utilized for micro/nanoelectronics and flat panel FE display applications.
}, keywords = {field emission, Layered compounds, Nanostructures, Phosphorus}, issn = {1434-1948}, doi = {10.1002/ejic.201500145}, author = {Erande, Manisha B. and Suryawanshi, Sachin R. and More, Mahendra A. and Late, Dattatray J.} } @article { ISI:000354238700002, title = {Electron attachment to DNA and RNA nucleobases: an EOMCC investigation}, journal = {International Journal of Quantum Chemistry}, volume = {115}, number = {12}, year = {2015}, month = {JUN}, pages = {753-764}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
We report a benchmark theoretical investigation of both vertical and adiabatic electron affinities of DNA and RNA nucleobases: adenine, guanine, cytosine, thymine, and uracil using equation of motion coupled cluster method. The vertical electron affinity (VEA) values of the first five states of the DNA and RNA nucleobases are computed. It is observed that the first electron attached state is energetically accessible in gas phase. Furthermore, an analysis of the natural orbitals exhibits that the first electron attached states of uracil and thymine are valence-bound in nature and undergo significant structural changes on attachment of an extra electron, which reflects in the deviation of the adiabatic electron affinity (AEA) than that of the vertical ones. Conversely, the first electron attached states of cytosine, adenine, and guanine are in the category of dipole-bound anions. Their structure, by and large, remain unaffected on attachment of an extra electron, which is evident from the observed small difference between the AEA and VEA values. VEA and AEA values of all the DNA and RNA nucleobases are found to be negative, which implies that the first electron attached states are not stable rather quasi bound. The results of all previous theoretical calculations are out of track and shows large deviation with respect to the experimentally measured values, whereas, our results are found to be in good agreement. Therefore, our computed values can be used as a reliable standard to calibrate new theoretical methods. (c) 2015 Wiley Periodicals, Inc.
}, keywords = {DNA-RNA bases, electron affinity, EOMCC}, issn = {0020-7608}, doi = {10.1002/qua.24892}, author = {Dutta, Achintya Kumar and Sengupta, Turbasu and Vaval, Nayana and Pal, Sourav} } @article {45940, title = {Embedded multiple shooting methodology in a genetic algorithm framework for parameter estimation and state identification of complex systems}, journal = {Chemical Engineering Science}, volume = {134}, year = {2015}, month = {SEP }, pages = {605-618}, type = {Article}, abstract = {
A novel parameter estimation and state identification algorithm for nonlinear dynamical systems from data by embedding a multiple shooting methodology in the framework of a genetic algorithm (EMSGA) is described. The advantages of EMSGA are brought out by studies with two highly nonlinear examples, viz., the chaotic dynamics of a non-isothermal CSTR and the glycolysis regulation in Lactococcus lactis for production of lactic acid. For the chaotic dynamics with extremely high sensitivity to parameter values and initial conditions, EMSGA accurately estimates all process parameters while at the same time recovering the true dynamics of monitored and unmonitored variables from limited extents of noisy dynamic data. The superiority in accuracy and computational time of EMSGA over standalone genetic or multiple shooting algorithms for parameter estimation is shown for comparison purposes. In fact, EMSGA adapts well to the use of generalized canonical models, e.g., the S-system, where use of the fundamental Taylor series method of any order for integration becomes possible. This makes EMSGA highly efficient and exemplified here by estimating all the parameters of the derived higher dimensional 5-system model for the CSTR. Comparative studies with a well-known global-local enhanced scatter search method corroborate the suitability and advantages of the EMSGA methodology. For the glycolysis regulation example the numerical robustness of EMSGA is brought out by estimating a large number of model parameters when a majority of them are raised to the power of the state variables. Interestingly, we show that from noisy in vivo dynamic data it becomes possible to completely recover the noise-free dynamical behavior of unmonitored species concentrations using EMSGA. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Canonical models, Chaotic dynamics, Genetic algorithm, Multiple shooting, Noise reduction, parameter estimation}, issn = {0009-2509}, doi = {10.1016/j.ces.2015.05.040}, author = {Sarode, Ketan Dinkar and Kumar, V. Ravi and Kulkarni, B. D.} } @article {42918, title = {Emerging energy applications of two-dimensional layered materials}, journal = {Canadian Chemical Transactions}, volume = {3}, year = {2015}, month = {MAR}, pages = {118-157}, abstract = {
Atomically thin semiconducting transition metal dichalcogenides (TMDCs) layered materials have recently been emerged as an exciting area of research due to accessibility for easy synthesis using various chemical and physical methods. These two-dimensional (2D) layered materials with single layer have direct and wide band gap due to which, they are more suitable for nanoelectronics and optoelectronics device applications. Here, we present a review of the energy related aspects of atomically thin layered materials like MoS2, WS2, MoSe2, WSe2, InSe, GaSe, GaTe, MoTe2, WTe2 etc. for supercapacitor, solar cell, lithium ion battery and water splitting application. By significantly assessing various materials and comparing their performances with challenging technology, the advantages and disadvantages of this promising area of energy materials are recognized, which may provide guidelines for future progress.
}, doi = {10.13179/canchemtrans.2015.03.02.0174}, author = {Late, Dattatray J. and Rout, Chandra Sekhar and Chakravarty, Disha and Ratha, Satyajit} } @article { ISI:000358349700002, title = {Enantioselective cooperative catalysis}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {30}, year = {2015}, month = {JUN}, pages = {8116-8162}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In recent years, enantioselective cooperative catalytic reactions, wherein two catalysts work simultaneously to form products which cannot be obtained by the use of a single catalyst alone, have attracted considerable attention. This review focuses on this emerging field, with particular emphasis on mechanistic aspects, which will help readers to understand the role of each catalyst.
}, issn = {1477-0520}, doi = {10.1039/c5ob00986c}, author = {Inamdar, Suleman M. and Shinde, Valmik S. and Patil, Nitin T.} } @article { ISI:000355987900093, title = {Enantioselective syntheses of (R)-pipecolic acid, (2R,3R)-3-hydroxypipecolic acid, beta-(+)-conhydrine and (-)-swainsonine using an aziridine derived common chiral synthon}, journal = {RSC Advances}, volume = {5}, number = {62}, year = {2015}, month = {MAY}, pages = {50580-50590}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Concise total syntheses of (R)-pipecolic acid, (R)-ethyl-6-oxopipecolate, (2R, 3R)-3-hydroxypipecolic acid and formal syntheses of beta-(+)-conhydrine, (-)-lentiginosine, (-)-swainsonine and 1,2-di-epi-swainsonine have been accomplished starting from a common chiral synthon. The present strategy employs regioselective aziridine ring opening, Wittig olefination and RCM as the key chemical transformations.
}, issn = {2046-2069}, doi = {10.1039/c5ra06429e}, author = {Chavan, Subhash P. and Khairnar, Lalit B. and Pawar, Kailash P. and Chavan, Prakash N. and Kawale, Sanket A.} } @article {45880, title = {Enantioselective synthesis of functionalized pyrazoles by NHC-catalyzed reaction of pyrazolones with alpha,beta-unsaturated aldehydes}, journal = {Organic Letters}, volume = {17}, year = {2015}, month = {MAR}, pages = {1417-1420}, type = {Article}, abstract = {
The N-heterocyclic carbene (NHC)-organocatalyzed enantioselective annulation reaction of pyrazolones with alpha,beta-unsaturated aldehydes proceeding via the chiral alpha,beta-unsaturated acyl azolium intermediates under oxidative conditions is presented. The reaction afforded dihydropyranone-fused pyrazoles in moderate to good yields and good er values under operationally simple and base-free conditions.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00293}, author = {Yetra, Santhivardhana Reddy and Mondal, Santigopal and Suresh, Eringathodi and Biju, Akkattu T.} } @article { ISI:000355354100007, title = {Enantioselective synthesis of guggultetrol and D-ribo-phytosphingosine tetraacetate via L-proline catalyzed sequential alpha-aminooxylation/Horner-Wardsworth-Emmons olefination-Sharpless asymmetric dihydroxylation strategy}, journal = {Tetrahedron-Asymmetry}, volume = {26}, number = {10-11}, year = {2015}, month = {MAY}, pages = {571-576}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient enantioselective synthesis of two bioactive molecules, that is, guggultetrol and D-ribo-phytosphingosine, is described with high enantioselectivity (\>98\% ee) starting from commercially available 1-hexadecanol. The synthesis comprises organocatalyzed sequential alpha-aminooxylation of an aldehyde followed by Horner-Wardsworth-Emmons olefination and Sharp less asymmetric dihydroxylation as the key chiral inducing steps. For both syntheses, gamma-hydroxy-alpha,beta-unsaturated ester serves as the common intermediate obtained from proline catalysis. (C) 2015 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2015.04.004}, author = {Venkataramasubramanian, V. and Kumar, B. Senthil and Sudalai, Arumugam} } @article { ISI:000358099300015, title = {Enantioselective synthesis of (+)-hygroline and (+)-pseudohygroline via Keck allylation and CBS reduction}, journal = {Tetrahedron Letters}, volume = {56}, number = {32}, year = {2015}, month = {AUG}, pages = {4704-4705}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An enantioselective synthesis of (+)-hygroline and (+)-pseudohygroline has been achieved in high optical purity (98\% ee) from readily available 1,4-butanediol. The synthesis strategy employs a Keck allylation, CBS reduction, and Wacker oxidation. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {CBS reduction, Keck allylation, Pyrrolidines, Wacker oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.06.012}, author = {Bhoite, Shubhangi P. and Kamble, Rohit B. and Suryavanshi, Gurunath M.} } @article { ISI:000359393500052, title = {Enantiospecific synthesis of both enantiomers of the longtailed mealybug pheromone and their evaluation in a new zealand vineyard}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {15}, year = {2015}, month = {AUG}, pages = {7785-7789}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The irregular monoterpenoid sex pheromone of Pseudococcus longispinus and its enantiomer were prepared from the corresponding bornyl acetates. The use of readily accessible chiral starting materials and lactone lactone rearrangement are the highlights of the present synthesis. The biological activities of the two enantiomers and racemic mixture were tested in a New Zealand vineyard. The (S)-(+)-enantiomer was significantly more attractive to P. longispinus males than the racemic mixture or the (R)-(-)-enantiomer.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b01131}, author = {Ramesh, Remya and Bell, Vaughn and Twidle, Andrew M. and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000354137000018, title = {Encapsulation of ultra small metal clusters in silica: evolution of the concept of nanoreactors and the case of Ag-Pd@SiO2 alloy catalyst}, journal = {Catalysis Today}, volume = {251}, year = {2015}, note = {7th Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT), Kyoto, JAPAN, JUN 01-06, 2014}, month = {AUG}, pages = {114-120}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The concept of encapsulation of ultra small clusters within silica evolved as a means to address the sintering of active metal nanoparticles and subsequent deactivation observed in supported noble metal catalysts. It is hypothesised that sintering, which mainly occurs due to mobility of metal species on the support surfaces, can be minimised if the growth and movement of metal nanoparticles are constrained. First, nanoparticles are isolated inside 1D channels in 2D mesoporous compounds and the idea develops to complete encapsulation of thiol protected ultra small nanoclusters in silica spheres. Sintering is better controlled in the latter due to the confined space for growth of nanoparticles. Access of reactant molecules to the active metal surfaces also is ensured by porosity created in the silica matrix forming the basis of the concept of nanoreactors. In this paper, we elaborate on the evolution of this concept from our earlier work on highly sinter resistant silica encapsulated Au, Pd and Au-Pd alloys to the present system of Ag-Pd alloy encapsulated in silica. Silver, with the lowest Tammann temperature among noble metals, is highly prone to sintering which is adequately controlled by alloying with Pd as well as encapsulation in silica. Its enhanced activity in paranitrophenol reduction in comparison with pure metals indicates the advantageous effect of alloying. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Ag-Pd alloy, Encapsulation, Sinter resistant, Sintering, Ultra small nanoclusters}, issn = {0920-5861}, doi = {10.1016/j.cattod.2014.11.006}, author = {Mondal, Sourik and Samanta, Anupam and Dhar, Basab B. and Devi, R. Nandini} } @article { ISI:000365220100089, title = {Ene-nucleic acids: a different paradigm to DNA chemistry}, journal = {RSC Advances}, volume = {5}, number = {118}, year = {2015}, month = {NOV}, pages = {97824-97830}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Acyclic prochiral nucleic acids such as FNA, UNA, GNA and cyclic chiral TNA are all considered as precursors of DNA and RNA in the chemical etiology of nucleic acids. The chemical reasoning would suggest that unsaturated precursors with constrained flexibility and selectivity based on cis/trans isomers could be the missing link between the prochiral-acyclic and chiral-cyclic structures mentioned above. We find that ene-nucleic acids derived from an isoprenoid skeleton possess requisite flexibility and rigidity while forming stable duplex structures with complementary DNA and RNA.
}, issn = {2046-2069}, doi = {10.1039/c5ra15673d}, author = {Varada, Manojkumar and Erande, Namrata D. and Kumar, Vaijayanti A.} } @article { ISI:000364449200020, title = {Engineering ligands on the Au center: discovering broadly applicable gold catalysis with high turnover numbers}, journal = {Organic Chemistry Frontiers}, volume = {2}, number = {8}, year = {2015}, month = {JUN}, pages = {995-998}, publisher = {CHINESE CHEMICAL SOC}, address = {PO BOX 1-18, NANKANG, TAIPEI 115, TAIWAN}, abstract = {
The research groups of Hammond/Xu and Zhang report the discovery of new ligands for gold catalysis. With these ligands, gold catalyzed reactions have been reported for a broader range of substrates with very high TONs at a level that can match the needs of large-scale applications.
}, issn = {2052-4129}, doi = {10.1039/c5qo00162e}, author = {Inamdar, Suleman M. and Patil, Nitin T.} } @article { ISI:000362499200027, title = {Engineering proteins for thermostability with iRDP web server}, journal = {Plos One}, volume = {10}, number = {10}, year = {2015}, month = {OCT}, pages = {e0139486}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Engineering protein molecules with desired structure and biological functions has been an elusive goal. Development of industrially viable proteins with improved properties such as stability, catalytic activity and altered specificity by modifying the structure of an existing protein has widely been targeted through rational protein engineering. Although a range of factors contributing to thermal stability have been identified and widely researched, the in silico implementation of these as strategies directed towards enhancement of protein stability has not yet been explored extensively. A wide range of structural analysis tools is currently available for in silico protein engineering. However these tools concentrate on only a limited number of factors or individual protein structures, resulting in cumbersome and time-consuming analysis. The iRDP web server presented here provides a unified platform comprising of iCAPS, iStability and iMutants modules. Each module addresses different facets of effective rational engineering of proteins aiming towards enhanced stability. While iCAPS aids in selection of target protein based on factors contributing to structural stability, iStability uniquely offers in silico implementation of known thermostabilization strategies in proteins for identification and stability prediction of potential stabilizing mutation sites. iMutants aims to assess mutants based on changes in local interaction network and degree of residue conservation at the mutation sites. Each module was validated using an extensively diverse dataset. The server is freely accessible at http://irdp.ncl.res.in and has no login requirements.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0139486}, author = {Panigrahi, Priyabrata and Sule, Manas and Ghanate, Avinash and Ramasamy, Sureshkumar and Suresh, C. G.} } @article {43037, title = {Enhanced carbon dioxide hydrate formation kinetics in a fixed bed reactor filled with metallic packing}, journal = {Chemical Engineering Science}, volume = {122}, year = {2015}, month = {JAN}, pages = {78-85}, doi = {10.1016/j.ces.2014.09.019}, author = {Kumar, Asheesh and Sakpal, Tushar and Linga, Praveen and Kumar, Rajnish} } @article { ISI:000370057200011, title = {Enhanced electron field emission from NiCo2O4 nanosheet arrays}, journal = {Materials Research Express}, volume = {2}, number = {9}, year = {2015}, month = {SEP}, pages = {095011}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Electron emission properties of electrodeposited spinel NiCo2O4 nanosheet arrays grown on Ni foam have been studied. The work function of NiCo2O4 was calculated by density functional theory using the plane-wave basis set and used to estimate the field enhancement factor. The NiCo2O4 nanosheet arrays exhibited a low turn-on field of 1.86 V mu m(-1) at 1 mu A cm(-2) and current density of 686 mu A cm(-2) at 3.2 V mu m(-1), with field enhancement factor beta = 1460 and good field emission current stability. The field emission properties of the NiCo2O4 nanosheet arrays showed enhanced performance compared to chemically prepared NiCo2O4 nanosheets. Hence, the nanosheet arrays have great potential as robust high performance vertical structure electron emitters for future flat panel displays and vacuum electronic device applications.
}, keywords = {Density functional theory, field emission, nanosheets, NiCo2O4, spinel}, issn = {2053-1591}, doi = {10.1088/2053-1591/2/9/095011}, author = {Naik, Kusha Kumar and Khare, Ruchita T. and Gelamo, Rogerio V. and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Rout, Chandra Sekhar} } @article { ISI:000361832600067, title = {Enhanced field emission of plasma treated multilayer graphene}, journal = {Applied Physics Letters}, volume = {107}, number = {12}, year = {2015}, month = {SEP}, pages = {123503}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
Electron emission properties of multilayer graphene (MLG) prepared by a facile exfoliation technique have been studied. Effect of CO2 Ar, N-2, plasma treatment was studied using Raman spectroscopy and investigated for field emission based application. The CO2 plasma treated multilayer graphene shows an enhanced field emission behavior with a low turn on field of 0.18 V/mu m and high emission current density of 1.89 mA/cm(2) at an applied field of 0.35 V/mu m. Further the plasma treated MLG exhibits excellent current stability at a lower and higher emission current value. (C) 2015 AIP Publishing LLC.
}, issn = {0003-6951}, doi = {10.1063/1.4931626}, author = {Khare, Ruchita T. and Gelamo, Rogerio V. and More, Mahendra A. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article { ISI:000350191000002, title = {Enhancing efficiency of perovskite solar cell via surface microstructuring: superior grain growth and light harvesting effect}, journal = {Solar Energy}, volume = {112}, year = {2015}, month = {FEB}, pages = {12-19}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We have introduced a novel approach to enhance the perovskite solar cell efficiency by controlling the grain growth and light harvesting properties of perovskite crystallites. Instead of using a mesoporous TiO2 layer, we have modified the surface microstructuring of the TiO2 film by dispensing nano assembled TiO2 submicron structures (nanobeads, NBs) on TiO2 compact layer. With this new approach solar cell efficiency was improved significantly through an increase in both J(sc) and V-oc. This high efficiency is attributed to crystallite size of the perovskite phase. These also act as light scattering centers giving higher current density and reduced recombination effects giving higher open circuit voltage. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Grain growth, Light harvesting, Perovskite solar cells, TiO2 nanobeads}, issn = {0038-092X}, doi = {10.1016/j.solener.2014.11.016}, author = {Tathavadekar, Mukta C. and Agarkar, Shruti A. and Game, Onkar S. and Bansode, Umesh P. and Kulkarni, Sneha A. and Mhaisalkar, Subodh G. and Ogale, Satishchandra B.} } @article { ISI:000355231200019, title = {Environmentally benign catalytic process for esterification of renewable levulinic acid to various alkyl levulinates biodiesel}, journal = {Environmental Progress \& Sustainable Energy}, volume = {34}, number = {3}, year = {2015}, month = {SEP}, pages = {795-801}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
This study explores, the use of modified zeolite (Micro/Meso-HZ-5) obtained by desilication post-treatment as heterogeneous catalyst for esterification of biomass derived renewable levulinic acid (LA) with different alkyl alcohols such as methanol, ethanol, n-butanol, and n-octanol aiming to produce corresponding alkyl levulinate. This method of production of alkyl levulinates would be sustainable process, as it can be used as novel miscible diesel biofuels preventing global warming by decreasing atmospheric CO2. The LA conversion obtained over Micro/Meso-HZ-5 was higher than H-ZSM-5, which is due to the combined effect of increase in Bronsted acid sites, total acidity, and other properties such as BET surface area and the generation of mesoporosity. The maximum LA conversion of 91, 95, 96, and 98\% with 100\% selectivity toward alkyl levulinate was obtained, when LA was being esterified over Micro/Meso-HZ-5 with methanol, ethanol, n-butanol, and n-octanol, respectively, at optimal process parameters. Micro/Meso-HZ-5 catalyst was found to be reusable for six cycles. Furthermore, pseudo homogeneous (P-H) kinetic model of the esterification of LA with the studied four alcohols were established with R-2\>0.99, using the experimental data. A P-H kinetic model implies that, the esterification reaction follows second order reversible kinetics. (c) 2014 American Institute of Chemical Engineers Environ Prog, 34: 795-801, 2015
}, keywords = {biofuels, Esterification, kinetic model, levulinic acid, meso-HZ-5, micro}, issn = {1944-7442}, doi = {10.1002/ep.12042}, author = {Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000354199900072, title = {Environmentally friendly route for grafting of molybdenum carbonyl onto a diaminosilane-modified SBA-15 molecular sieve and its catalytic behaviour in olefin epoxidation}, journal = {New Journal of Chemistry}, volume = {39}, number = {5}, year = {2015}, month = {FEB}, pages = {3758-3764}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple route has been established for grafting molybdenum carbonyl onto the surface of a diaminosilane-modified SBA-15 molecular sieve. The successful grafting of the molybdenum carbonyl species onto diamine-functionalized SBA-15 was evident from FT-IR studies. The resultant molybdenum-carbonyl-complex-grafted SBA-15 (SBA-DA-Mo) materials show promising activity for the epoxidation of various olefins with good conversion (90-95\%) and the formation of epoxide as the major product. The catalytic activity remains constant over several runs.
}, issn = {1144-0546}, doi = {10.1039/c4nj02402h}, author = {Baskaran, Thangaraj and Kumaravel, Raju and Christopher, Jayaraj and Ajithkumar, Thalasseril G. and Sakthivel, Ayyamperumal} } @article { ISI:000356201700008, title = {EOMIP-CCSD(2)*: an efficient method for the calculation of ionization potentials}, journal = {Journal of Chemical Theory and Computation}, volume = {11}, number = {6}, year = {2015}, month = {JUN}, pages = {2461-2472}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new approximation within the domain of EOMIP-CC method is proposed. The proposed scheme is based on the perturbative truncation of the similarity transformed effective Hamiltonian matrix. We call it the EOMIP-CCSD(2)* method, which scales as noniterative N-6 and its storage requirement is very less, compared to the conventional EOMIP-CCSD method. The existing EOMIP-CCSD(2) method has a tendency to overestimate the ionization potential (IP) values. On the other hand, our new strategy corrects for the problem of such an overestimation, which is evident from the excellent agreement achieved with the experimental values. Furthermore, not only the ionization potential but also geometry and IR frequencies of problematic double radicals are estimated correctly, and the results are comparable to the CCSD(T) method, obviously at lesser computational cost. The EOMIP-CCSD(2)* method works even for the core ionization and satellite IP, where the earlier EOMIP-CCSD(2) approximation dramatically fails.
}, issn = {1549-9618}, doi = {10.1021/ct500927h}, author = {Dutta, Achintya Kumar and Vaval, Nayana and Pal, Sourav} } @article { ISI:000348924600005, title = {Esterification of renewable levulinic acid to n-butyl levulinate over modified H-ZSM-5}, journal = {Chemical Engineering \& Technology}, volume = {38}, number = {2}, year = {2015}, month = {FEB}, pages = {246-252}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The synthesis of n-butyl levulinate, one of the most important biodiesel additives, by catalytic esterification of biomass-derived levulinic acid (LA) with n-butanol over modified H-ZSM-5 (micro/meso-HZ-5) in a closed-batch system is reported for the first time. The optimization of the reaction conditions such as the reactant molar ratio, the catalyst loading, the reaction time and the temperature was performed in view to maximize the yield of n-butyl levulinate. Micro/meso-HZ-5 was found to be the most efficient catalyst, with 98\% yield of n-butyl levulinate and a reusability for six cycles, which is higher than reported in the literature. A possible catalytic mechanism for the esterification reaction is also proposed. A second-order pseudo-homogeneous model with R-2 \> 0.97 confirmed that the esterification reaction is performed in the kinetic regime due to the high activation energy of 23.84 kJ mol(-1).
}, keywords = {Esterification, kinetic model, levulinic acid, Micro/meso-HZ-5, n-Butyl levulinate}, issn = {0930-7516}, doi = {10.1002/ceat.201400326}, author = {Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000361120000056, title = {Evaluation of imidazolium-based ionic liquids towards vermicidal activity: in vitro \& in silico studies}, journal = {RSC Advances}, volume = {5}, number = {92}, year = {2015}, month = {AUG}, pages = {75415-75424}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A series of six different ionic liquids (ILs) of the kind 1-alkyl-3-methylimidazolium bromide/hydroxide (IL-Br and IL-OH) tailored with different N-alkyl side chains (ethyl, butyl, octyl) were synthesized and evaluated for their vermicidal activity against the Indian earthworm, Pheretima posthuma. The percentage of paralysis and mortality of earthworms against ILs were recorded in a dose dependent (at different concentrations 2, 4, 8 and 16 mM) and time dependent manner. The ILs with hydroxide as the counter anion (IL-OH) showed higher vermicidal activity compared to their bromide counterparts (IL-Br). Moreover, the ILs with the longest alkyl chain (octyl) were observed to have significant vermicidal activity compared to the rest (ethyl and butyl) as well as the standard drug, Albendazole. Furthermore, theoretical modeling was carried out to visualize the preferential docking positions of these ILs into the active site of beta-tubulin. Fascinatingly, it was found that the ILs with longest alkyl side chain showed remarkable vermicidal activity compared to the rest, and the molecular docking studies not only validated the experimental results, but also showed per-residue interaction analysis between the ILs and the different components of beta-tubulin.
}, issn = {2046-2069}, doi = {10.1039/c5ra13469b}, author = {Charan, K. T. Prabhu and Ranjan, Prabodh and Manojkumar, Kasina and Pothanagandhi, Nellepalli and Jha, Prakash C. and Khedkar, Vijay M. and Sivaramakrishna, Akella and Vijayakrishna, Kari} } @article { ISI:000352803900014, title = {Exfoliation of bulk inorganic layered materials into nanosheets by the rapid quenching method and their electrochemical performance}, journal = {European Journal of Inorganic Chemistry}, number = {11}, year = {2015}, month = {APR}, pages = {1973-1980}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
We report herein the results of our investigations on the synthesis of transition-metal dichalcogenide (TMDC) semiconductor layered materials of MoS2, WS2, MoSe2, and WSe2 by the rapid quenching method. The bulk powders were added to deionized water in a polypropylene tube and subsequently flushed with argon gas. Thirty rapid freezing (30 s in a liquid nitrogen bath) and heating (20 min in an oil bath at 60 degrees C) cycles were then carried out. The reaction product was obtained in a yield in excess of 60 wt.-\%, which indicates that the method can be utilized on an industrial scale for the production of 2D nanosheets. The as-synthesized products were then characterized by TEM, which revealed nanosheet-like morphologies. Raman spectroscopy confirmed the high quality of the nanosheet samples. The exfoliated samples also showed good electrochemical performance. Of the TMDC samples investigated, the WSe2 nanosheets were found to give the best performance due to their uniform morphology, large surface area, and fewest number of defects.
}, keywords = {chalcogenides, Electrochemistry, Layered compounds, Molybdenum, Nanostructures, Tungsten}, issn = {1434-1948}, doi = {10.1002/ejic.201500039}, author = {Chakravarty, Disha and Late, Dattatray J.} } @article { ISI:000361075900038, title = {Exiguobacterium enclense sp nov., isolated from sediment}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {5}, year = {2015}, month = {MAY}, pages = {1611-1616}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {
A Gram-stain-positive bacterium, designated strain NIO-1109(T), was isolated from a marine sediment sample from Chorao Island, Goa, India. Phenotypic and chemotaxonomic characteristics and data from phylogenetic analysis based on 16S rRNA gene sequences indicated that strain NIO-1109(T) was related to the genus Exiguobacterium. Strain NIO-1109(T) exhibited \>98.0\% 16S rRNA gene sequence similarity with respect to Exiguobacterium indicum HHS 31(T) (99.5\%) and Exiguobacterium acetylicum NCIMB 9889(T) (99.1 \%); the type strains of other species showed \<98\% similarity. Levels of DNA DNA relatedness between strain NIO-1109(T) and E. acetylicum DSM 20416(T) and E indicum LMG 23471(T) were less than 70\% (33.0 +/- 2.0 and 37 +/- 32\%, respectively). Strain NIO-1109(T) also differed from these two closely related species in a number of phenotypic traits. Based on phenotypic, chemotaxonomic and phylogenetic data, strain NIO-1109(T) is considered to represent a novel species of the genus Exiguobacterium, for which the name Exiguobacterium enclense sp. nov. is proposed. The type strain is NIO-1109(T) (=NCIM 5457(T)= DSM 25128(T)=CCTCC AB 2011124(T)).
}, issn = {1466-5026}, doi = {10.1099/ijs.0.000149}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Sonalkar, Vidya V. and Thorat, Meghana N. and Mual, Poonam and Verma, Ashish and Krishnamurthi, Srinivasan and Tang, Shan-Kun and Li, Wen-Jun} } @article { ISI:000362834600003, title = {Experimental signature of microheterogeneity in ionic liquid-H2O systems and their perturbation by adding Li+ salts: a pulsed gradient spin-echo NMR approach}, journal = {Chemphyschem}, volume = {16}, number = {14}, year = {2015}, month = {OCT}, pages = {2936-2941}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Distinct microheterogeneity has been observed in the [OMIM]Br-H2O system, which is interestingly perturbed by the addition of Li+ salts, indicating unusual diffusivity of [OMIM]Br and H2O molecules. However, the diffusional dynamics of water clusters show contrasting salting behavior at higher concentrations of Li+ salts, following the classical salting phenomenon in lower amounts. In contrast, the existing microheterogeneity in the [BMIM]Br-H2O system is weak enough to show any perturbation caused by the Li+ salts on the NMR time scale.
}, keywords = {ionic liquids, lithium, microheterogeneity, salt effect, viscosity}, issn = {1439-4235}, doi = {10.1002/cphc.201500503}, author = {Nanda, Raju and Rajamohanan, P. R. and Kumar, Anil} } @article { ISI:000352246100007, title = {Exploiting powder x-ray diffraction to establish the solvent-assisted solid-state supramolecular assembly of pillar[5]quinone}, journal = {Crystal Growth \& Design}, volume = {15}, number = {4}, year = {2015}, month = {APR}, pages = {1583-1587}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report the solvent-mediated supramolecular assembly of pillar[5]quinone (P[5]Q), a symmetric cyclamer containing five benzoquinone moieties bridged by five alternating methylene units. The supramolecular assembly of P[5]Q is shown to be facilitated by 1,1,2,2-tetrachloroethane (TCE) as solvent, producing a microcrystalline solvate material P[5]Q(.)2TCE with a fluffy texture. Optical and electron microscopy reveal that this material has a rod-shaped morphology, extending to several micrometers in length. Due to the microcrystalline nature of the material, structure determination was carried out directly from powder X-ray diffraction data, augmented by high-resolution solid-state C-13 NMR. The two crystallographically distinct TCE molecules occupy different types of void in the structure and have different dynamic properties. Crystallization of P[5]Q was attempted from a large number of different solvents, but only TCE was found to facilitate the formation of a crystalline phase. Indeed, features of the crystal structure suggest that the TCE component plays an important role in promoting the columnar assembly of P[5]Q molecules.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.5b00277}, author = {Shivakumar, Kilingaru I. and Yan, Yuncheng and Hughes, Colan E. and Apperley, David C. and Harris, Kenneth D. M. and Sanjayan, Gangadhar J.} } @article { ISI:000363839500017, title = {Exploring microstructural changes in structural analogues of ibuprofen-hosted in situ gelling system and its influence on pharmaceutical performance}, journal = {AAPS Pharmscitech}, volume = {16}, number = {5}, year = {2015}, month = {OCT}, pages = {1153-1159}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The present work explores inner structuration of in situ gelling system consisting of glyceryl monooleate (GMO) and oleic acid (OA). The system under study involves investigation of microstructural changes which are believed to govern the pharmaceutical performance of final formulation. The changes which are often termed mesophasic transformation were analysed by small angle Xray scattering (SAXS), differential scanning calorimetry (DSC), rheology and plane polarised light (PPL) microscopy. The current work revealed transformation of blank system from W/O emulsion to reverse hexagonal structure upon addition of structural analogues of ibuprofen. Such transformations are believed to occur due to increased hydrophobic volume within system as probed by SAXS analysis. The findings of SAXS studies were well supported by DSC, rheology and PPL microscopy. The study established inverse relationship between log P value of structural analogues of ibuprofen and the degree of binding of water molecules to surfactant chains. Such relationship had pronounced effect on sol-gel transformation process. The prepared in situ gelling system showed sustained drug release which followed Higuchi model.
}, keywords = {flurbiprofen, hexagonal phase, ibuprofen, ketoprofen, liquid crystal, sustained drug release}, issn = {1530-9932}, doi = {10.1208/s12249-015-0308-y}, author = {Patil, Sharvil S. and Venugopal, Edakkal and Bhat, Suresh K. and Mahadik, Kakasaheb R. and Paradkar, Anant R.} } @article {43047, title = {Exploring the differences in metabolic behavior of astrocyte and glioblastoma: a flux balance analysis approach}, journal = {Systems and Synthetic Biology}, volume = {9}, year = {2015}, month = {DEC}, pages = {159-177}, doi = {10.1007/s11693-015-9183-9}, author = {Bhowmick, Rupa and Subramanian, Abhishek and Sarkar, Ram Rup} } @article { ISI:000358761200004, title = {Expression of stable reference genes and SPINDLY gene in response to gibberellic acid application at different stages of grapevine development}, journal = {Biologia Plantarum}, volume = {59}, number = {3}, year = {2015}, month = {SEP}, pages = {436-444}, publisher = {ACAD SCIENCES CZECH REPUBLIC, INST EXPERIMENTAL BOTANY}, address = {ROZVOJOVA 263, PRAHA 6, CZ-165 02, CZECH REPUBLIC}, abstract = {
Gibberellic acid (GA(3)) is widely used at different stages of berry development, and to understand the molecular mechanism of its action requires identification of stable reference genes. We sprayed grapevine (Vitis vinifera L.) cv. Thompson Seedless with GA(3) at rachis stage for rachis elongation, at flower cluster stage for flower thinning, and at 3 - 4 mm berry stage for berry elongation. Tissue samples were collected at different time points after GA(3) application. The expression of 10 candidate reference genes was analyzed using 4 different algorithms to assess their suitability for real time-PCR data normalization. Based on the overall ranking, PP2A, Sutra, and SAND were identified as the most stably expressed genes across all samples. With regard to different stages, tubulin, EF1 alpha, and UBC were the most stable genes during rachis elongation; PP2A, SAND, and Sutra were the most suitable at the flower cluster and berry stages. The expression of GA signaling gene SPINDLY (VvSpy) was analyzed to validate the stable reference genes. After the GA(3) application, the expression of VvSpy was reduced at the rachis stage but did not change at the flower cluster and berry stages. The expression profile of VvSpy was comparable when two or three reference genes were used for data normalization.
}, keywords = {developmental stages, Vitis vinifera}, issn = {0006-3134}, doi = {10.1007/s10535-015-0521-2}, author = {Upadhyay, A. and Jogaiah, S. and Maske, S. R. and Kadoo, Narendra Y. and Gupta, V. S.} } @article { ISI:000359867300004, title = {Extrusion film casting of long chain branched polypropylene}, journal = {Polymer Engineering and Science}, volume = {55}, number = {9}, year = {2015}, month = {SEP}, pages = {1977-1987}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Extrusion film casting (EFC) is an important melt processing operation which is extensively used to make polypropylene (PP) films. Linear PP shows significant amount of necking and draw resonance during EFC. One of the ways to reduce necking is to introduce long chain branches (LCB) on the polymer backbone. The long branches impart extensional strain hardening behavior thereby stabilizing the melt flow. In this work, we investigate the influence of long chain branching in polypropylene on the extent of necking in the EFC process. Laboratory scale EFC experiments were performed on homopolymer PP of linear and long chain branched architectures. Simulations of the EFC process were carried out using the one-dimensional flow model of Silagy et al., Polym. Eng. Sci.,36, 2614 (1996) into which we incorporate two different multi-mode molecular constitutive equations namely, the eXtended Pom-Pom{\textquoteright} equation (XPP, for long chain branched PP) and the Rolie-Poly{\textquoteright} equation (RP-S, for linear PP). Our experimental data confirm that presence of long chain branching in PP reduces the extent of necking and our numerical predictions show qualitative agreement with experimental data, thereby elucidating the role of chain architecture on the extent of necking. POLYM. ENG. SCI., 55:1977-1987, 2015. (c) 2014 Society of Plastics Engineers
}, issn = {0032-3888}, doi = {10.1002/pen.24039}, author = {Chikhalikar, Kalyani and Banik, Sourya and Azad, Lal Busher and Jadhav, Kishor and Mahajan, Sunil and Ahmad, Zubair and Kulkarni, Surendra and Gupta, Surendra and Doshi, Pankaj and Pol, Harshawardhan and Lele, Ashish K.} } @article { ISI:000353097100022, title = {Facile biological approach for immobilization, physicochemical characterization and antibacterial activity of noble metals nanocomposites}, journal = {Materials Letters}, volume = {148}, year = {2015}, month = {JUN}, pages = {86-90}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The use of biopolymer as template to regulate metallic nanoparticles is promising field in green nanotechnology. We have designed a facile biological way for rapid synthesis and immobilization of gold and silver nanoparticles on alginate films using leaf extract of Cassia auriculata. The prepared gold bio-nanocomposite (Au-BNC) and silver bio-nanocomposite (Ag-BNC) were characterized by UV-vis spectroscopy, Fourier transform infrared spectroscopy, Transmission electron microscopy and Thermal analysis. The bio-nanocomposites exhibited good antibacterial activity against both gram positive (Bacillus subtilis) and gram negative (Escherichia coli) bacteria. The metal nanoparticle embedded films have number of applications in catalysis, optical biosensors, electronic, biomedical devices and environmental remediation. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Alginate, Antibacterial, Bio-nanocomposites, Cassia auriculata, Characterization, Nanoparticles}, issn = {0167-577X}, doi = {10.1016/j.matlet.2015.02.059}, author = {Parveen, Asra and Ali, Tayyab and Wahid, Malik and Rao, Srinath} } @article { ISI:000353753200006, title = {Facile gamma radiolytic methodology for TiO2-rGO synthesis: effect on photo-catalytic H-2 evolution}, journal = {International Journal of Hydrogen Energy}, volume = {40}, number = {17}, year = {2015}, month = {MAY}, pages = {5815-5823}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
TiO2 (P25) decorated reduced graphene oxide (rGO) is synthesized by gamma-radiolytic technique using water-ethanol solvent medium. Visible light absorpdon was confirmed by UV-Visible spectroscopy. Photoluminescence (PL) study revealed a decline in electron-hole recombination rate signalled by a sharp fall in luminescence of TiO2. Under such scenario, electron transfer from TiO2 conduction band to the conjugated sheet becomes a preferred pathway in the presence of rGO, which is further confirmed by photocurrent measurement. TiO2 -rGO composite with 1 wt. \% rGO was found to be the best composition in terms of visible light absorption, while retaining TiO2 crystallinity. Transmission electron microscopy and Raman spectroscopic studies confirmed the coating of rGO sheet with TiO2 nanoparticles. TiO2 -rGO was found to show about 150 times higher photocatalytic H-2 generation under 250 W UV-Visible light irradiation than pristine TiO2. In addition to this, TiO2 -rGO composite shows hydrogen production yield of 35 mu mol/h.g under visible light (lambda = 400 nm) irradiation. Thus gamma-radiolysis can be considered to be a viable technique, which helps in synthesizing photocatalytically active nanocomposite with high H-2 evolution rate. In the light of these interesting aspects, a detail investigation is carried out to study the effect of rGO concentration and illumination time on photocatalytic yield. Copyright (C) 2015, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {gamma-radiolysis, H-2 production, Photocatalysis, Reduced graphene oxide, TiO2}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2015.02.102}, author = {Gupta, Bhavana and Melvin, Ambrose A. and Matthews, Tom and Dhara, S. and Dash, Sitaram and Tyagi, A. K.} } @article { ISI:000354445900067, title = {Facile synthesis of Ag nanowire-rGO composites and their promising field emission performance}, journal = {RSC Advances}, volume = {5}, number = {52}, year = {2015}, month = {APR}, pages = {41887-41893}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Crystalline, ultra long silver nanowires (Ag NWs), few-layered rGO (reduced graphene oxide) and their rGO-Ag NW nanocomposite have been synthesized using a polyol reflux technique under optimized experimental conditions. The field emission performance of the rGO-Ag NW nanocomposite, rGO and Ag NW emitters was investigated. The turn on field required to draw an emission current density of similar to 1 mA cm(-2) was found to be similar to 5.00, 3.92 and 2.40 V mu m(-1) for the Ag NW, rGO and rGO-Ag NW nanocomposite emitters, respectively. The combined contribution of the sharp edges of the thin graphene sheets and high aspect ratio of the Ag nanowires, and their synergetic effect in the rGO-Ag NW nanocomposite, are responsible for the enhanced field emission behavior. First-principles density functional calculations show that the enhanced field emission may also be due to the overlapping of the electronic structures of the Ag NWs and rGO nanosheets.
}, issn = {2046-2069}, doi = {10.1039/c5ra00308c}, author = {Samantara, Aneeya K. and Mishra, Dillip Kumar and Suryawanshi, Sachin R. and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Jena, Bikash Kumar and Rout, Chandra Sekhar} } @article { ISI:000364886500019, title = {Factors influencing catalytic activity of Co-Zn double-metal cyanide complexes for alternating polymerization of epoxides and CO2}, journal = {Applied Catalysis A-General}, volume = {506}, year = {2015}, month = {OCT}, pages = {163-172}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Co-Zn double-metal cyanides (DMCs) show good catalytic activity towards copolymerization of epoxides and CO2. A deep insight into the structural aspects of the catalysts that control their catalytic performance is addressed in this work. Method of preparation of DMC catalysts was found to have influence on their structure, which in turn dictated their catalytic activity. Complexing agent (t-BuOH) and density of strong acid sites of DMC catalysts were found critical factors responsible for their activity. Selectivity of DMC towards polycarbonates depends on the amount of alkali ion content in their composition. Induction period of the catalysts was governed by the strength of acid sites and by the presence of dispersed ZnCl2 in the composition. This study provides an understanding of the prime features of DMC catalysts that can be tuned for high productivity of polycarbonates. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {CO2 utilization, Copolymerization of epoxides and CO2, Double-metal cyanide, Polycarbonate}, issn = {0926-860X}, doi = {10.1016/j.apcata.2015.09.010}, author = {Sebastian, Joby and Srinivas, Darbha} } @article {43021, title = {Factors influencing L-asparaginase production by three thermophilic caprophilous fungi}, journal = {International Journal of Pharma Sciences}, volume = {5}, year = {2015}, month = {SEP}, pages = {1242-1248}, abstract = {
Influence of medium, pH and temperature on L-asparaginase production by Thielavia terrestris, Malbranchea cinnamomea and Scytalidium thermophilum in submerged fermentation process was investigated. Maximum Lasparaginase production was recorded in the glucose medium supplemented with 0.5\% L-asparagine monohydrate on 8th day of incubation. Czapek-dox medium was the next proffered medium for both biomass and L-asparaginase production by the fungi under investigation. Among different pH tried, pH 7.0 was optimum for L-asparaginase production, while enzyme production was marginal in medium with 6.0-8.0. Temperature of 45{\textdegree}C and 50{\textdegree}C were optimum for T. terrestris for growth of M. cinnamomea and S. thermophilum respectively. Maximum Lasparaginase activity of all three fungi was recorded at 45{\textdegree}C with varying extent was recorded. Analysis of variance of the data revealed significant differences (p-0.05) among the different culture media, pH and temperature on the production of L-asparaginase. A significant and positive correlation coefficient (R) was also observed between the growth and L-asparaginase activity of T. terrestris (0.570), M. cinnamomea (0.947) and S. thermophilum (0.948). Conclusion the culture medium and factors like pH, incubation temperature and incubation period play an important role in the L-asparaginase production by all the three thermophilic caprophilous fungi.
}, author = {Shanthipriya, A. and Rao, Vankudoth Koteswara and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article { ISI:000363916400006, title = {Feasibility of ionization-mediated pathway for ultraviolet-induced melanin damage}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {42}, year = {2015}, month = {OCT}, pages = {13288-13293}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Melanin is the pigment found in human skin that is responsible for both photoprotection and photodamage. Recently there have been reports that greater photodamage of DNA occurs when cells containing melanin are irradiated with ultraviolet (UV) radiation, thus suggesting that the photoproducts of melanin cause DNA damage. Photoionization processes have also been implicated in the photodegradation of melanin. However, not much is known about the oxidation potential of melanin and its monomers. In this work we calculate the ionization energies of monomers, dimers, and few oligomers of eumelanin to estimate the threshold energy required for the ionization of eumelanin. We find that this threshold is within the UV-B region for eumelanin. We also look at the charge and spin distributions of the various ionized states of the monomers that are formed to understand which of the ionization channels might favor monomerization from a covalent dimer.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b08750}, author = {Mandal, Mukunda and Das, Tamal and Grewal, Baljinder K. and Ghosh, Debashree} } @article { ISI:000345901600070, title = {Fe(III) phytate metallogel as a prototype anhydrous, intermediate temperature proton conductor}, journal = {Chemical Science}, volume = {6}, number = {1}, year = {2015}, month = {OCT}, pages = {603-607}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A proton conducting metallogel [FNPA; ferric nitrate (FN)-phytic acid (PA)] is synthesized by immobilizing a protogenic ligand (phytic acid) using iron(III) nitrate in DMF. The xerogel shows high proton conductivity of 2.4 x 10(-2) S cm(-1) at 120 degrees C, the best value known among all metal organic materials (MOMs). Marking the first such attempt in MOMs, an electrode made using the xerogel showed a power density of 0.94 mW cm(-2) at 0.6 V under dry fuel cell conditions.
}, issn = {2041-6520}, doi = {10.1039/c4sc02294g}, author = {Aiyappa, Harshitha Barike and Saha, Subhadeep and Wadge, Pritish and Banerjee, Rahul and Kurungot, Sreekumar} } @article { ISI:000346733500087, title = {Field emission properties of spinel ZnCo2O4 microflowers}, journal = {RSC Advances}, volume = {5}, number = {7}, year = {2015}, month = {DEC}, pages = {5372-5378}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
ZnCo2O4 microflowers were synthesized by a simple low temperature hydrothermal route. A single three-dimensional microflower consists of hundreds of self-assembled petals, with a thickness of several nanometers. These microflowers have exceptionally thin edges with a few petal layers. The ZnCo2O4 microflowers appeared to be stable and good field emitters.
}, issn = {2046-2069}, doi = {10.1039/c4ra10246k}, author = {Ratha, Satyajit and Khare, Ruchita T. and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Rout, Chandra Sekhar} } @article { ISI:000355354100003, title = {First enantioselective synthesis of (2S,3S)-3-hydroxy-L-arginine via proline catalyzed alpha-aminooxylation of aldehyde and Pd-catalyzed ether-directed aza-Claisen rearrangement}, journal = {Tetrahedron-Asymmetry}, volume = {26}, number = {10-11}, year = {2015}, month = {MAY}, pages = {548-552}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A concise enantioselective synthesis of (2S,3S)-3-hydroxy-L-arginine with an overall yield of 10.9\% and 98\% ee, starting from commercially available 1,4-butanediol in ten linear steps has been achieved. The key chiral inducing steps are D-proline catalyzed sequential alpha-aminooxylation/Horner-Wadsworth-Emmons olefination of an aldehyde and the subsequent diastereoselective MOM-ether-directed Pd-catalyzed aza-Claisen rearrangement of allylic trichloroacetimidate. (C) 2015 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2015.03.011}, author = {Ahuja, Brij Bhushan and Sudalai, Arumugam} } @article { ISI:000364968800017, title = {First enantioselective synthesis of surinamensinol B and a non-natural polysphorin analogue by a two-stereocentered hydrolytic kinetic resolution}, journal = {European Journal of Organic Chemistry}, volume = {33}, number = {33}, year = {2015}, month = {NOV}, pages = {7344-7351}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
An efficient and economical approach to the synthesis of antitumor and anti-inflammatory surinamensinol B (1) and antimalarial polysphorin analogue 2 has been achieved with high enantiomeric purity (96\% ee) by starting from commercially available 3,4,5-trimethoxybenzaldehyde. The key steps of the strategy include a Co-catalyzed two-stereocentered hydrolytic kinetic resolution (HKR) of racemic 2[( methoxymethoxy)(3,4,5-trimethoxyphenyl)methyl] oxirane (13) as the chiral inducing step followed by a Mitsunobu reaction. Chiral epoxide 14 and chiral diol 15 were utilized in the syntheses of both compounds.
}, keywords = {Biological activity, Enantioselectivity, Kinetic resolution, Natural products, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201501009}, author = {Lalwani, Komal G. and Sudalai, Arumugam} } @article { ISI:000351969900008, title = {First naphthosemiquinone complex of K+ with vitamin K3 analog: experiment and density functional theory}, journal = {Journal of Molecular Structure}, volume = {1088}, year = {2015}, month = {MAY}, pages = {56-63}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Synthesis and characterization of potassium complex of 2-hydroxy-3-methyl-1,4-naphthoquinone (phthiocol), the vitamin K3 analog, has been carried out using FT-IR, UV-Vis, H-1 and C-13 NMR, EPR, cyclic voltammetry and single crystal X-ray diffraction experiments combined with the density functional theory. It has been observed that naphthosemiquinone binds to two K+ ions extending the polymeric chain through bridging oxygens O(2) and O(3). The crystal network possesses hydrogen bonding interactions from coordinated water molecules showing water channels along the c-axis. C-13 NMR spectra revealed that the complexation of phthiocol with potassium ion engenders deshielding of C(2) signals, which appear at delta = similar to 14.6 ppm whereas those of C(3) exhibit up-field signals near delta similar to 6.9 ppm. These inferences are supported by the M06-2x based density functional theory. Electrochemical experiments further suggest that reduction of naphthosemiquinone results in only a cathodic peak from catechol. A triplet state arising from interactions between neighboring phthiocol anion lead to a half field signal at g = 4.1 in the polycrystalline X-band EPR spectra at 133 K. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {C-13 NMR, DFT, hydrogen bonding, Naphthosemiquinone, Phthiocol, Vitamin K3}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2015.01.053}, author = {Kathawate, Laxmi and Gejji, Shridhar P. and Yeole, Sachin D. and Verma, Prakash L. and Puranik, Vedavati G. and Salunke-Gawali, Sunita} } @article { ISI:000359956500020, title = {First regioselective iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles}, journal = {Tetrahedron Letters}, volume = {56}, number = {36}, year = {2015}, month = {SEP}, pages = {5140-5144}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The regioselective iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles is described for the first time. The iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles using molecular iodine afforded diiodo-compound which on Cul-catalyzed intramolecular C-N coupling reaction gave six-membered 2-aryl-51141,2,4]triazolo[5,1-b][1,3]thiazines, whereas, the five membered 3-aryl-5,6-dihydrothiazolo[2,3-c][1,2,4]triazoles were obtained exclusively when the iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles was carried out using NIS. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Iodocyclization, Regloselective, Thiazine, Triazole}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.07.006}, author = {Rode, Navnath D. and Sonawane, Amol D. and Garud, Dinesh R. and Joshi, Rohini R. and Joshi, Ramesh A. and Likhite, Anjali P.} } @article { ISI:000350528300019, title = {First synthesis of nitrosporeusines, alkaloids with multiple biological activities}, journal = {Tetrahedron Letters}, volume = {56}, number = {10}, year = {2015}, month = {MAR}, pages = {1252-1254}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Synthesis of nitrosporeusines A and B, thioester-bearing alkaloids from the Arctic Streptomyces nitrosporeus with exceptional biological activity is disclosed for the first time. In addition, we have prepared another biologically important natural product, maleimycin, in optically pure form using a gram-scale enzymatic resolution method. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Enzymatic resolution, Influenza H1N1 virus, Maleimycin, Michael reaction, Nitrosporeusine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.01.143}, author = {Philkhana, Satish Chandra and Jachak, Gorakhnath R. and Gunjal, Vidya B. and Dhage, Nagsen M. and Bansode, Ajay H. and Reddy, D. Srinivasa} } @article { ISI:000362615700025, title = {Flow in vortex diodes}, journal = {Chemical Engineering Research \& Design}, volume = {102}, year = {2015}, month = {OCT}, pages = {274-285}, publisher = {INST CHEMICAL ENGINEERS}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {
A vortex diode is used as a cavitation device for treatment of industrial waste water and also, as a leaky non-return valve in nuclear applications. It consists of a vortex chamber with an axial and tangential port. When the fluid is injected through the tangential port, a strong vortex flow is set up in the diode chamber. This flow is characterized by phenomena such as vortex transition, precessing vortex core, toroidal recirculation zone, reverse flow core and recirculation zone in the axial port. Although studies have been conducted on the {\textquoteleft}{\textquoteleft}confined vortex{\textquoteright}{\textquoteright} class of flows (and some of them on vortex diodes), none of them provides a collective account of key nuances of the flow in a vortex diode. The flow in the diode differs from other confined-vortex flows on account of the axial-velocity deficit, due to which, direct correlations from other confined vortex flows cannot be applied to the diode. This work attempts to address the aforementioned flow characteristics in the diode using results primarily from CFD simulations. The reported methodology, computational model and results will be useful to gain better understanding of flows in vortex diodes and to optimize designs of vortex diodes for variety of applications. (C) 2015 Published by Elsevier B.V. on behalf of The Institution of Chemical Engineers.
}, keywords = {CFD, Confined vortex, Diode, Precessing vortex core, Recirculation}, issn = {0263-8762}, doi = {10.1016/j.cherd.2015.05.028}, author = {Pandare, Aditya and Ranade, Vivek V.} } @article {45934, title = {Fluorescent cadmium telluride quantum dots embedded chitosan nanoparticles: a stable, biocompatible preparation for bio-imaging}, journal = {Journal of Biomaterials Science-Polymer Edition}, volume = {26}, year = {2015}, month = {JAN }, pages = {42-56}, type = {Article}, abstract = {
Fluorescent cadmium telluride quantum dots (CdTe QDs) are an optically attractive option for bioimaging, but are known to display high cytotoxicity. Nanoparticles synthesized from chitosan, a natural biopolymer of beta 1-4 linked glucosamine, display good biocompatibility and cellular uptake. A facile, green synthetic strategy has been developed to embed green fluorescent cadmium telluride quantum dots (CdTe QDs) in biocompatible CNPs to obtain a safer preparation than {\textquoteleft}as is{\textquoteright} QDs. High-resolution transmission electron microscopy showed the crystal lattice corresponding to CdTe QDs embedded in CNPs while thermogravimetry confirmed their polymeric composition. Electrostatic interactions between thiol-capped QDs (4nm, -57mV) and CNPs (\~300nm, +38mV) generated CdTe QDs-embedded CNPs that were stable up to three months. Further, viability of NIH3T3 mouse fibroblast cells in vitro increased in presence of QDs-embedded CNPs as compared to bare QDs. At the highest concentration (10 mu g/ml), the former shows 34 and 39\% increase in viability at 24 and 48h, respectively, as compared to the latter. This shows that chitosan nanoparticles do not release the QDs up to 48h and do not cause extended toxicity. Furthermore, hydrolytic enzymes such as lysozyme and chitinase did not degrade chitosan nanoparticles. Moreover, QDs-embedded CNPs show enhanced internalization in NIH3T3 cells as compared to bare QDs. This method offers ease of synthesis and handling of stable, luminescent, biocompatible CdTe QDs-embedded CNPs with a favorable toxicity profile and better cellular uptake with potential for bioimaging and targeted detection of cellular components.
}, keywords = {Biocompatible, bioimaging, CdTe quantum dots, chitosan nanoparticles, Toxicity}, issn = {0920-5063}, doi = {10.1080/09205063.2014.982240}, author = {Ghormade, Vandana and Gholap, Haribhau and Kale, Sonia and Kulkarni, Vaishnavi and Bhat, Suresh and Paknikar, Kishore} } @article {45884, title = {Fluorescent probe for specific detection of cysteine in the lipid dense region of cells}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {SEP}, pages = {16932-16935}, type = {Article}, abstract = {
A new cysteine (Cys) specific chemodosimetric reagent (ER-F) is used in imaging of endogenous Cys localized in the lipid dense region of the live Hct116 cells and the release of Cys within HepG2 cells from a drug following a biochemical transformation. A silica surface, modified with ER-F, could be used for quantitative estimation of Cys present in aqueous solution (pH 7.2) and in a human blood plasma (HBP).
}, issn = {1359-7345}, doi = {10.1039/c5cc07450a}, author = {Ali, Firoj and Anila, H. A. and Taye, Nandaraj and Gonnade, Rajesh G. and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000365532000008, title = {Fluorescent probes for the detection of cyanide ions in aqueous medium: cellular uptake and assay for beta-glucosidase and hydroxynitrile lyase}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {47}, year = {2015}, month = {OCT}, pages = {9148-9156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A chemodosimteric reagent (1) for the efficient detection of cyanide species (CN- and/or HCN) in aq. medium as well as under physiological conditions has been described. Selective reaction of the cyanide species with this reagent in the presence of all common interfering anions, amino acids and glutathione (GSH) led to the generation of the corresponding cyanohydrin derivative. The formation of the cyanohydrin derivative of the probe is associated with a visually detectable change in solution fluorescence in aq. buffer medium with 1.9 mu M NaCN, the threshold limit set by WHO for the safe drinking water and this makes this fluorogenic sensor an ideal candidate for in-field applications. An apparent switch on the luminescence response, ultralow detection limit, low response time, cell membrane permeability and insignificant toxicity are key features of a probe molecule, which gives it a distinct edge over previously reported chemodosimetric reagents for the detection of cyanide species (CN- or HCN) in an aqueous environment. This methodology could be used for developing a generalized and efficient fluorescence-based assay for crucial enzymes like beta-glucosidase and hydroxynitrile lyase. Furthermore, spectrally-resolved fluorescence microscopy measurements on single-cells revealed that this sensor molecule could also be used for imaging the cellular uptake of cyanide species from aq. solution contaminated with NaCN. Our results confirmed that statistical analysis of integrated intensity and transition energy obtained from the emission spectra collected over various microscopic sub-cellular regions can potentially be used to discriminate the effects of local cellular environments and that due to cyanide detection.
}, issn = {2050-750X}, doi = {10.1039/c5tb01853f}, author = {Agarwalla, Hridesh and Gangopadhyay, Monalisa and Sharma, Dharmendar Kumar and Basu, Santanu Kumar and Jadhav, Sameer and Chowdhury, Arindam and Das, Amitava} } @article { ISI:000350528300022, title = {Formal asymmetric synthesis of (2S,4R)-4-hydroxypipecolic acid via Co(III)(salen)-catalyzed two stereocentered HKR of racemic azido epoxide}, journal = {Tetrahedron Letters}, volume = {56}, number = {10}, year = {2015}, month = {MAR}, pages = {1263-1265}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient formal synthesis of (2S,4R)-4-hydroxypipecolic acid has been achieved in high optical purity (99\% ee) from readily available benzaldehyde. The strategy employs an iodine-induced intramolecular cyclization of a carbonate and Co-catalyzed Hydrolytic Kinetic Resolution (HKR) of two stereocentered racemic azido epoxide as the key reactions to construct chiral 1,3-amino alcohol functionality. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Azido epoxide, Hydrolytic kinetic resolution, lodocyclization, Piperidine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.01.113}, author = {Kamble, Rohit B. and Gadre, Shubhankar Haribhau and Suryavanshi, Gurunath M.} } @article { ISI:000349061500011, title = {Formal syntheses of (2R,3R)-3-hydroxy pipecolic acid and (2R,3S)-3-hydroxy pipecolic acid from L-ascorbic acid}, journal = {Tetrahedron Letters}, volume = {56}, number = {6}, year = {2015}, month = {FEB}, pages = {805-807}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Formal syntheses of both cis and trans 3-hydroxy pipecolic acids is achieved from L-ascorbic acid. Present synthesis describes use of chiral pool approach in which epimerization, Staudinger reaction and Cyclization reactions were employed as key steps. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {3-Hydroxy pipecolic acid, cyclization, Epimerization, L-Ascorbic acid}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.12.103}, author = {Chavan, Subhash P. and Dumare, Nilesh B. and Pawar, Kailash P.} } @article { ISI:000363080800011, title = {Formal total synthesis of (-)-kumausallene}, journal = {Tetrahedron}, volume = {71}, number = {45}, year = {2015}, month = {NOV}, pages = {8577-8584}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Deacetylkumausyne-a penultimate intermediate in Tang{\textquoteright}s total synthesis of (-)-kumausallene has been synthesized employing a chiral pool approach and thus culminating in a formal total synthesis of kumausallene. The opening of an epoxide with alkyne (use of Birch reduction for the selective construction of E-pent-3-enyl group) and C-allylation have been used to introduce the pendant alkenyl side chains. Initial attempts to execute an alternative to Tang{\textquoteright}s route comprising a prior installation of the bromoallene unit via bromoetherification and subsequent S(N)2 displacement are unsuccessful. To overcome this, an alternative approach was developed to arrive at Deacetylkumausyne (another natural product that has been synthesized and characterized by Tang{\textquoteright}s group). Thus, this overall exercise has culminated in a formal total synthesis of (-)-kumausallene. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Bis-THF natural products, Chiral pool, Deacetylkumausyne, Total synthesis, Wittig reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2015.09.027}, author = {Das, Shyamsundar and Ramana, Chepuri V.} } @article { ISI:000361697400005, title = {Fractional photo-current dependence of graphene quantum dots prepared from carbon nanotubes}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {38}, year = {2015}, month = {AUG}, pages = {24566-24569}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report on the photo-conductivity studies of chemically synthesized graphene quantum dots (GQDs) of average size 12 nm obtained by the oxidative acid treatment of MWCNTs. The dependence of photocurrent I-ph (I-ph = I-ill - I-dark) on the laser intensity P under a wide range of laser intensities (5 mW \<= P \<= 60 mW) shows a fractional power dependence of I-ph on light intensity. The temperature dependence (300 K \< T \< 50 K) of I-ph observed in thin films of these GQDs indicates that in the higher temperature region (T \> similar to 100 K), as the temperature increases, the number of thermally generated carriers increase resulting in increased I-ph. At sufficiently low temperatures (T \<= 100 K), a constant I-ph is observed, indicating a constant photocarrier density. Such a behavior is typically observed in many photoactive disordered semiconductors, which are often used in a variety of applications. We believe that the investigations presented here will enhance our understanding of the photocurrent generation phenomenon in chemically obtained GQDs.
}, issn = {1463-9076}, doi = {10.1039/c5cp03306c}, author = {Kundu, Sumana and Ghosh, Sujoy and Fralaide, Michael and Narayanan, T. N. and Pillai, Vijayamohanan K. and Talapatra, Saikat} } @article { ISI:000354964900096, title = {Freezing tendency towards 4-coordinated amorphous networks causes an increase in the heat capacity of supercooled Stillinger-Weber silicon}, journal = {RSC Advances}, volume = {5}, number = {55}, year = {2015}, month = {MAY}, pages = {44679-44686}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Supercooled liquid silicon (Si), modeled by the Stillinger-Weber (SW) potential, has been shown to undergo transition to low density amorphous phases at 1060 K in previous studies. Furthermore, the constant pressure heat capacity C-p has been found to exhibit a large increase as the liquid is cooled to 1060 K. In this work, we examine the nature of the equilibrium and the relaxation process of supercooled SW Si in the temperature range of 1060 K to 1070 K at zero pressure. We find that the relaxation of the supercooled liquid leads to a sharp irreversible decrease in the fluctuation of the two body energy of the largest connected network of 4-coordinated particles. Such a process implies a tightening of the bonds (i.e. freezing or jamming) of the network, and is accompanied by a sharp increase in the fraction of the 4-coordinated particles in the system. We find that the jamming (or freezing) process shows a sudden acceleration across a dynamical instability point that occurs at a unique potential energy state of the network. Further, we find that the occurrence of the dynamical instability is associated with the appearance of a straight line region in the cumulative potential energy distributions with a configurational temperature close to 1060 K. We conclude that the supercooled liquid state must be regarded as a constrained equilibrium state, since the accessible microstates are constrained by the inherent tendency of the system to approach the dynamical instability point. Thus all properties of supercooled liquid SW-Si, including the rise in C-p at 1060 K, can be attributed to the freezing tendency of the 4-coordinated particle network.
}, issn = {2046-2069}, doi = {10.1039/c5ra04892c}, author = {Apte, Pankaj A. and Pingua, Nandlal and Gautam, Arvind Kumar and Kumar, Uday and Willow, Soohaeng Yoo and Zeng, Xiao Cheng and Kulkarni, B. D.} } @article { ISI:000365462900005, title = {FRET-based probe for monitoring pH changes in lipid-dense region of Hct116 cells}, journal = {Organic Letters}, volume = {17}, number = {22}, year = {2015}, month = {NOV}, pages = {5532-5535}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A rhodamine conjugate (L) with a pseudo Stokes shift of 165 nm is used for probing changes in solution pH under physiological conditions. This reagent is found to be nontoxic, and the luminescence response could be used for imaging changes in endogenous pH induced by dexamethanose (DMT) in the endoplasmic reticulum.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b02568}, author = {Reddy, Upendar G. and Anila, H. A. and Ali, Firoj and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000350222400077, title = {From micron to nano-curcumin by sophorolipid co-processing: highly enhanced bioavailability, fluorescence, and anti-cancer efficacy (vol 4, pg 60334, 2014)}, journal = {RSC Advances}, volume = {5}, number = {28}, year = {2015}, month = {FEB}, pages = {22075}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2046-2069}, doi = {10.1039/c5ra90018b}, author = {Singh, Pradeep Kumar and Wani, Kirtee and Kaul-Ghanekar, Ruchika and Prabhune, Asmita and Ogale, Satishchandra} } @article { ISI:000358610200004, title = {Fruit peel waste as a novel low-cost bio adsorbent}, journal = {Reviews in Chemical Engineering}, volume = {31}, number = {4}, year = {2015}, month = {AUG}, pages = {361-381}, publisher = {WALTER DE GRUYTER GMBH}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {
Fruit peel waste (FPW) is abundantly available from the agricultural and food processing industry and has been studied in recent past as an adsorbent. This paper critically reviews the reported work and investigates various FPW-pollutant systems. The study includes statistics of FPW generation, modification, characterization, adsorption ability, recovery/regeneration, and modeling (isotherms, kinetics, and thermodynamics) of batch adsorption. It is found that orange and banana peels are the most extensively studied adsorbents, whereas Pb2+ and methylene blue are the most efficiently removed pollutants, the Langmuir and Freundlich adsorption isotherms provide the best fit in most of the cases, and in general, pseudo-second-order kinetics is followed. There are very limited column studies and no report on commercial plant. Though the reproducibility of the results is poor, FPW has a great potential in the wastewater treatment due to its abundant and cheap availability. FPW can be used for removal of heavy metals and dyes; however, removal of organic and gaseous impurities needs further investigation.
}, keywords = {adsorbent, Adsorption, fruit peel waste, organic and inorganic pollutants, wastewater}, issn = {0167-8299}, doi = {10.1515/revce-2014-0041}, author = {Pathak, Pranav D. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article { ISI:000355247900001, title = {Functional characterization of novel sesquiterpene synthases from Indian sandalwood, santalum album}, journal = {Scientific Reports}, volume = {5}, year = {2015}, month = {MAY}, pages = {Article Number: 10095}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
Indian Sandalwood, Santalum album L. is highly valued for its fragrant heartwood oil and is dominated by a blend of sesquiterpenes. Sesquiterpenes are formed through cyclization of farnesyl diphosphate (FPP), catalyzed by metal dependent terpene cyclases. This report describes the cloning and functional characterization of five genes, which encode two sesquisabinene synthases (SaSQS1, SaSQS2), bisabolene synthase (SaBS), santalene synthase (SaSS) and farnesyl diphosphate synthase (SaFDS) using the transcriptome sequencing of S. album. Using Illumina next generation sequencing, 33.32 million high quality raw reads were generated, which were assembled into 84,094 unigenes with an average length of 494.17 bp. Based on the transcriptome sequencing, five sesquiterpene synthases SaFDS, SaSQS1, SaSQS2, SaBS and SaSS involved in the biosynthesis of FPP, sesquisabinene, beta-bisabolene and santalenes, respectively, were cloned and functionally characterized. Novel sesquiterpene synthases (SaSQS1 and SaSQS2) were characterized as isoforms of sesquisabinene synthase with varying kinetic parameters and expression levels. Furthermore, the feasibility of microbial production of sesquisabinene from both the unigenes, SaSQS1 and SaSQS2 in non-optimized bacterial cell for the preparative scale production of sesquisabinene has been demonstrated. These results may pave the way for in vivo production of sandalwood sesquiterpenes in genetically tractable heterologous systems.
}, issn = {2045-2322}, doi = {10.1038/srep10095}, author = {Srivastava, Prabhakar Lal and Daramwar, Pankaj P. and Krithika, Ramakrishnan and Pandreka, Avinash and Shankar, S. Shiva and Thulasiram, Hirekodathakallu V.} } @article { ISI:000365930300028, title = {Furosemide cocrystals with pyridines: an interesting case of color cocrystal polymorphism}, journal = {Crystal Growth \& Design}, volume = {15}, number = {12}, year = {2015}, month = {DEC}, pages = {5858-5872}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Furosemide (FS), a loop diuretic drug commonly used for the treatment of hypertension and edema, exhibited color cocrystal polymorphism with coformer 4,4{\textquoteright}-bipyridine (4BPY) in the stoichiometry 2:1, albeit both the API and the cocrystal former are colorless. Crystallization from ethanol, isopropanol, ethanol-water (v/v, 1/1) mixture, and acetonitrile yielded pale yellow (form II, thin needles) and orange (form 1II, blocks) cocrystals concomitantly. Needles appeared from solution within a day, while the blocks were obtained after 1-2 days from the same flask, indicating that yellow needles were formed faster and the orange blocks were perhaps formed under thermodynamic conditions. Form 1I cocrystals could also be produced from the variety of common solvents. Cocrystallization of FS with 2,2{\textquoteright}-bipyridine (2BPY) and 4-aminopyridine (4AP) gave colorless cocrystals 2 and 3, respectively, and did not exhibit polymorphism. The single-crystal X-ray structures, powder X-ray diffraction, photophysical characterization, differential scanning calorimetry, hot stage microscopy studies, and density functional theory (DFT) calculations provide insight into the structure property relationship. The common structural features observed in all of the structures is the formation of sandwich motifs comprising FS and pyridines through pi-stacking interactions. These motifs are linked differently through hydrogen bonding interactions in all three directions. The significant color difference between the two cocrystals dimorphs could be attributed to the different pi-stacking patterns and hydrogen bonding interactions between molecules of FS and 4BPY in their cocrystal structures. Investigation on the origin of the color difference using DFT calculations revealed the decrease in HOMO-LUMO gap for form 1II cocrystals (orange) compared to form 1I crystals (light yellow). The crystal-to-crystal thermal transformation of form 1I crystals to form 1II crystals of 1 suggests the role of pi-stacking assemblies in driving the self-assembly.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.5b01240}, author = {Sangtani, Ekta and Sahu, Sanjay Kumar and Thorat, Shridhar H. and Gawade, Rupesh L. and Jha, Kunal K. and Munshi, Parthapratim and Gonnade, Rajesh G.} } @article { ISI:000363184600027, title = {Gedunin and azadiradione: human pancreatic alpha-amylase inhibiting limonoids from neem (azadirachta indica) as anti-diabetic agents}, journal = {Plos One}, volume = {10}, number = {10}, year = {2015}, month = {OCT}, pages = {e0140113}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Human pancreatic alpha-amylase (HPA) inhibitors offer an effective strategy to lower postprandial hyperglycemia via control of starch breakdown. Limonoids from Azadirachta indica known for their therapeutic potential were screened for pancreatic alpha-amylase inhibition, a known anti-diabetic target. Studies were carried out to reveal their mode of action so as to justify their hypoglycemic potential. Of the nine limonoids isolated/semi-synthesized from A. indica and screened for alpha-amylase inhibition, azadiradione and exhibited potential inhibition with an IC50 value of 74.17 and 68.38 mu M, respectively against HPA under in vitro conditions. Further screening on AR42J alpha-amylase secretory cell line for cytotoxicity and bioactivity revealed that azadiradione and gedunin exhibited cytotoxicity with IC50 of 11.1 and 13.4 mu M. Maximal secreted alpha-amylase inhibition of 41.8\% and 53.4\% was seen at 3.5 and 3.3 mu M, respectively. Michaelis-Menten kinetics suggested a mixed mode of inhibition with maltopentaose (K-i 42.2, 18.6 mu M) and starch (K-i{\textquoteright} 75.8, 37.4 mu M) as substrate with a stiochiometry of 1: 1 for both azadiradione and gedunin, respectively. The molecular docking simulation indicated plausible p-alkyl and alkyl-alkyl interactions between the aromatic amino acids and inhibitors. Fluorescence and CD confirmed the involvement of tryptophan and tyrosine in ligand binding to HPA. Thermodynamic parameters suggested that binding is enthalpically and entropically driven with Delta G degrees of -21.25 kJ mol(-1) and -21.16 kJ mol(-1) for azadiradione and gedunin, respectively. Thus, the limonoids azadiradione and gedunin could bind and inactivate HPA (anti-diabetic target) and may prove to be lead drug candidates to reduce/control post-prandial hyperglycemia.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0140113}, author = {Ponnusamy, Sudha and Haldar, Saikat and Mulani, Fayaj A. and Smita S. Zinjarde and Thulasiram, Hirekodathakallu and RaviKumar, Ameeta} } @article { ISI:000365148500002, title = {Gelation landscape engineering using a multi-reaction supramolecular hydrogelator system}, journal = {Journal of the American Chemical Society}, volume = {137}, number = {45}, year = {2015}, month = {NOV}, pages = {14236-14239}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Simultaneous control of the kinetics and thermodynamics of two different types of covalent chemistry allows pathway selectivity in the formation of hydrogelating molecules from a complex reaction network. This can lead to a range of hydrogel materials with vastly different properties, starting from a set of simple starting compounds and reaction conditions. Chemical reaction between a trialdehyde and the tuberculosis drug isoniazid can form one, two, or three hydrazone connectivity products, meaning kinetic gelation pathways can be addressed. Simultaneously, thermodynamics control the formation of either a keto or an enol tautomer of the products, again resulting in vastly different materials. Overall, this shows that careful navigation of a reaction landscape using both kinetic and thermodynamic selectivity can be used to control material selection from a complex reaction network.
}, issn = {0002-7863}, doi = {10.1021/jacs.5b06988}, author = {Foster, Jamie S. and Zurek, Justyna M. and Almeida, Nuno M. S. and Hendriksen, Wouter E. and le Sage, Vincent A. A. and Lakshminarayanan, Vasudevan and Thompson, Amber L. and Banerjee, Rahul and Eelkema, Rienk and Mulvana, Helen and Paterson, Martin J. and van Esch, Jan H. and Lloyd, Gareth O.} } @article { ISI:000363917000038, title = {Generic framework for crystallization processes using the population balance model and its applicability}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {42}, year = {2015}, month = {OCT}, pages = {10539-10548}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A generic modeling framework for batch cooling crystallization processes has been developed to understand the crystallization process from operational and modeling point of view. The generic framework for crystallization process modeling incorporates the characteristic dimensions of crystals and polymorphic transformation, as well as the hydrodynamic mixing effects in the crystallizer. This Polyhedral Polymorphic Multizonal Population Balance (PPMPBM) model considers bottom-up and top-down approaches for specific systems with specific targets. The PPMPBM framework allows switching between complex and simple models to study different crystallization systems with different scenarios and combination thereof. This framework uses gPROMS software (PSE, UK) and the Microsoft Excel front-end, along with the Polytope module in Matlab, to predict the crystal size and shape evolution as well as supersaturation profiles inside the crystallizer, which can be implemented for various crystallization systems.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b01421}, author = {Shaikh, Latif J. and Bari, Atul H. and Ranade, Vivek V. and Pandit, Aniruddha B.} } @article { ISI:000364264800011, title = {Genetic programming based quantitative structure-retention relationships for the prediction of Kovats retention indices}, journal = {Journal of Chromatography A}, volume = {1420}, year = {2015}, month = {NOV}, pages = {98-109}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The development of quantitative structure-retention relationships (QSRR) aims at constructing an appropriate linear/nonlinear model for the prediction of the retention behavior (such as Kovats retention index) of a solute on a chromatographic column. Commonly, multi-linear regression and artificial neural networks are used in the QSRR development in the gas chromatography (GC). In this study, an artificial intelligence based data-driven modeling formalism, namely genetic programming (GP), has been introduced for the development of quantitative structure based models predicting Kovats retention indices (KRI). The novelty of the GP formalism is that given an example dataset, it searches and optimizes both the form (structure) and the parameters of an appropriate linear/nonlinear data-fitting model. Thus, it is not necessary to pre-specify the form of the data-fitting model in the GP-based modeling. These models are also less complex, simple to understand, and easy to deploy. The effectiveness of GP in constructing QSRRs has been demonstrated by developing models predicting KRIs of light hydrocarbons (case study-I) and adamantane derivatives (case study-II). In each case study, two-, three- and four-descriptor models have been developed using the KRI data available in the literature. The results of these studies clearly indicate that the GP-based models possess an excellent KRI prediction accuracy and generalization capability. Specifically, the best performing four-descriptor models in both the case studies have yielded high (\>0.9) values of the coefficient of determination (R-2) and low values of root mean squared error (RMSE) and mean absolute percent error (MAPE) for training, test and validation set data. The characteristic feature of this study is that it introduces a practical and an effective GP-based method for developing QSRRs in gas chromatography that can be gainfully utilized for developing other types of data-driven models in chromatography science. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Artificial intelligence, Gas chromatography, genetic programming, Kovats retention index, Molecular descriptors, Quantitative structure-retention relationships}, issn = {0021-9673}, doi = {10.1016/j.chroma.2015.09.086}, author = {Goel, Purva and Bapat, Sanket and Vyas, Renu and Tambe, Amruta and Tambe, Sanjeev S.} } @article { ISI:000348265400007, title = {Genome-wide identification and structure-function studies of proteases and protease inhibitors in cicer arietinum (chickpea)}, journal = {Computers in Biology and Medicine}, volume = {56}, year = {2015}, month = {JAN}, pages = {67-81}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Background: Proteases are a family of enzymes present in almost all living organisms. In plants they are involved in many biological processes requiring stress response in situations such as water deficiency, pathogen attack, maintaining protein content of the cell, programmed cell death, senescence, reproduction and many more. Similarly, protease inhibitors (PIs) are involved in various important functions like suppression of invasion by pathogenic nematodes, inhibition of spores-germination and mycelium growth of Alternaria alternata and response to wounding and fungal attack. As much as we know, no genome-wide study of proteases together with proteinaceous PIs is reported in any of the sequenced genomes till now. Methods: Phylogenetic studies and domain analysis of proteases were carried out to understand the molecular evolution as well as gene and protein features. Structural analysis was carried out to explore the binding mode and affinity of PIs for cognate proteases and prolyl oligopeptidase protease with inhibitor ligand. Results: In the study reported here, a significant number of proteases and PIs were identified in chickpea genome. The gene expression profiles of proteases and Pis in five different plant tissues revealed a differential expression pattern in more than one plant tissue. Molecular dynamics studies revealed the formation of stable complex owing to increased number of protein-ligand and inter and intramolecular protein-protein hydrogen bonds. Discussion: The genome-wide identification, characterization, evolutionary understanding, gene expression, and structural analysis of proteases and Pis provide a framework for future analysis when defining their roles in stress response and developing a more stress tolerant variety of chickpea. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Domain, Gene expression, Genome analysis, Homology modelling, Molecular docking, molecular dynamics simulation, Motif, Orthologs, Phylogeny}, issn = {0010-4825}, doi = {10.1016/j.compbiomed.2014.10.019}, author = {Sharma, Ranu and Suresh, C. G.} } @article { ISI:000358630800013, title = {Genotype x environment interactions and QTL clusters underlying dough rheology traits in triticum aestivum L.}, journal = {Journal of Cereal Science}, volume = {64}, year = {2015}, month = {JUL}, pages = {82-91}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {
Genetic dissection of dough rheology traits (DRT) in hexaploid wheat was carried out using nine mixograph characters evaluated in two consecutive years in three agro-climatic zones in India in an RIL population (HI977 x HD2329). Pearson correlations determined in each year-location indicated 15 stable trait inter-relationships among them but inconsistent correlations with loaf volume (LV) were observed. Using AMMI analysis we derived patterns in G x E interactions (GEI) indicating 6-47\% contribution for the DRT. Composite interval mapping using a linkage map of 202 SSR markers identified 144 DRT QTLs of which, 96 were detected in single- and the rest in two to five year-locations. Sixteen QTL clusters located on ten chromosomes were identified and only three of them on chromosomes 1B, 5B and 6D involved LV QTLs. For each trait, majority of the DRT QTLs detected in single as well as multiple environments showed location-specificity and suggested that owing to GEI, breeding for wheat dough quality might need careful selection of QTLs targeted for individual agro-climatic zones. The inconsistent correlations of DRT and LV and differential locations of their QTLs in this population corroborated that using dough rheological traits alone to predict LV might pose challenges during wheat improvement. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {AMMI analysis, Dough rheology, Mixograph, QTL}, issn = {0733-5210}, doi = {10.1016/j.jcs.2015.05.002}, author = {Prashant, Ramya and Mani, Elangovan and Rai, Richa and Gupta, R. K. and Tiwari, Ratan and Dholakia, Bhushan B. and Oak, Manoj and Roeder, Marion and Kadoo, Narendra Y. and Gupta, Vidya} } @article { ISI:000359962900040, title = {Glycine-linked nucleoside-beta-amino acids: polyamide analogues of nucleic acids}, journal = {Bioconjugate Chemistry}, volume = {26}, number = {8}, year = {2015}, month = {AUG}, pages = {1737-1742}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
3{\textquoteright}-5{\textquoteright}-Deoxyribose-sugar-phoshate backbone in DNA is completely replaced by 2{\textquoteright}-deoxyribonucleoside-based beta-amino acids interlinked by glycine to create uncharged polyamide DNA with 3{\textquoteright}-5{\textquoteright}-directionality. These oligomers as conjugates of alpha-amino acids and nucleoside-beta-amino acids bind strongly and sequence-specifically only to the antiparallel complementary RNA and DNA.
}, issn = {1043-1802}, doi = {10.1021/acs.bioconjchem.5b00296}, author = {Banerjee, Anjan and Seema Bagmare and Varada, Manojkumar and Kumar, Vaijayanti A.} } @article { ISI:000354205600005, title = {Gold(I)-catalyzed hydroindolylation of allenyl ethers}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {19}, year = {2015}, month = {APR}, pages = {5358-5362}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The gold(I)-catalyzed reaction/rearrangement of allenyl ethers has been investigated in the presence of indoles. Either hydroindolylation or alkylation of an indole with the pendant group of allenyl ether has been observed. The reaction outcome seems to be decided mainly by the nature of the pendant group of the allenyl ether. Control experiments are indicative of an inner sphere mechanism for the hydroindolylation reaction.
}, issn = {1477-0520}, doi = {10.1039/c5ob00635j}, author = {Kona, Chandrababu Naidu and Shinde, Mahesh H. and Ramana, Chepuri V.} } @article {42859, title = {Gold(I)/chiral br{\o}nsted acid catalyzed enantioselective hydroamination-hydroarylation of alkynes: effect of remote hydroxyl group in the reactivity and enantioselectivity}, journal = {Chemistry - A European Journal}, volume = {21}, year = {2015}, month = {JAN}, pages = {975-979}, doi = {10.1002/chem.201405061}, author = {Shinde, Valmik S. and Mane, Manoj V. and Vanka, Kumar and Mallick, Arijit and Patil, Nitin T.} } @article {42919, title = {Graphene nanoribbons as prospective field emitter}, journal = {Applied Physics Letters}, volume = {106}, year = {2015}, month = {JAN}, pages = {Article Number: 023111}, abstract = {
Field emission characteristics of graphene nanoribbons (GNRs) synthesized by unzipping of multiwall carbon nanotubes using a facile hydrothermal route have been investigated at a base pressure of 1 x 10(-8) mbar. The values of turn-on field, required to draw an emission current densities of 1 and 10 mu A/cm(2), are found to be 2.8 and 5.8 V/mu m, respectively, and a maximum emission current density of 500 mu A/cm(2) has been drawn at an applied field of 9.8 V/mu m. The emission current stability of the GNRs emitter was studied at preset values of 1 and 10 mu A over a period of 3 h, and is found to be excellent. The field emission results demonstrated herein suggest that GNRs based field emitters can open up many opportunities for their potential utilization as large area field emitters in various vacuum micro-nanoelectronic devices such as flexible field emission displays, portable X-ray, and microwave tubes. (C) 2015 AIP Publishing LLC.
}, doi = {10.1063/1.4905473}, author = {Khare, Ruchita T. and Shinde, Dhanraj B. and Bansode, Sanjeewani and More, Mahendra A. and Majumder, Mainak and Pillai, Vijayamohanan K. and Late, Dattatray J.} } @article { ISI:000360634900028, title = {Graphene quantum dots as enhanced plant growth regulators: effects on coriander and garlic plants}, journal = {Journal of the Science of Food and Agriculture}, volume = {95}, number = {13}, year = {2015}, month = {OCT}, pages = {2772-2778}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
BACKGROUNDWe report investigations on the use of graphene quantum dots for growth enhancement in coriander (Coriandrum sativam L.) and garlic (Allium sativum) plants. The as-received seeds of coriander and garlic were treated with 0.2 mg mL(-1) of graphene quantum dots for 3 h before planting. RESULTSGraphene quantum dots enhanced the growth rate in coriander and garlic plants, including leaves, roots, shoots, flowers and fruits, when the seeds were treated with graphene quantum dots. CONCLUSIONOur investigations open up the opportunity to use graphene quantum dots as plant growth regulators that can be used in a variety of other food plants for high yield. (c) 2015 Society of Chemical Industry
}, keywords = {farming, food, graphene quantum dots, nanotechnology, plant growth regulator}, issn = {0022-5142}, doi = {10.1002/jsfa.7106}, author = {Chakravarty, Disha and Erande, Manisha B. and Late, Dattatray J.} } @article { ISI:000358512200094, title = {Green approach for the decoration of Pd nanoparticles on graphene nanosheets: an in situ process for the reduction of C-C double bonds and a reusable catalyst for the suzuki cross-coupling reaction}, journal = {New Journal of Chemistry}, volume = {39}, number = {8}, year = {2015}, month = {JUN}, pages = {6631-6641}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new strategy for in situ synthesis of palladium nanoparticles (Pd NPs) decorated on reduced graphene oxide (rGO) nanosheets with controlled size and shape is reported. This strategy was designed as three processes in one pot, namely, (a) reduction of graphene oxide, (b) formation of Pd NPs on the rGO nanosheets and (c) simultaneous reduction of olefin. In this synthesis process, a hydrogen atmosphere was used to develop the Pd NPs-rGO nanocatalyst, which is reusable and easily separable. The influence of the size and morphology of the Pd-rGO-H-2 catalyst on the catalytic activity in the Suzuki cross-coupling reaction was investigated by comparing with other catalysts, Pd-rGO-As and Pd-rGO-Gl, and they were synthesized by different reducing agents, ascorbic acid and glucose, respectively. The catalysts were characterized by electron microscopy (HRTEM, SEM), FT-IR, XRD and XPS. The Pd-rGO-H-2 catalyst was found to possess excellent catalytic activity and recyclability in the Suzuki cross-coupling reaction under mild reaction conditions.
}, issn = {1144-0546}, doi = {10.1039/c5nj01221j}, author = {Hussain, Najrul and Borah, Ashwini and Darabdhara, Gitashree and Gogoi, Pranjal and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V. and Das, Manash R.} } @article { ISI:000352343600011, title = {Green synthesis of silver nanoribbons from waste X-ray films using alkaline protease}, journal = {Materials Express}, volume = {5}, number = {2}, year = {2015}, month = {APR}, pages = {165-170}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
This work illustrates a facile approach to synthesize silver nanoribbons from waste X-ray films using alkaline protease from Beauveria sp. MTCC 5184 (BAP). The green synthesized nanoribbons have been characterized by UV-Vis spectroscopy, TEM, and FTIR. The UV-visible spectra gave maximum absorbance at 400 nm. TEM micrograph showed well-dispersed silver nanoribbons with an average length of 200-400 nm. FTIR result demonstrated the respective bands of the silver nanoribbons and proteins. XRD data revealed crystalline nature of silver nanoribbons dominated with (111) facets. In vitro antibacterial activity in terms of minimum inhibitory concentrations (MIC) and minimum bactericidal concentration (MBC) showed 8/16 mu g/mL (MIC/MBC) against Staphylococcus aureus ATCC 29213 and 4/8 mu g/mL (MIC/MBC) against Escherichia coli ATCC 25922. The green synthesized silver nanoribbons showed excellent biocompatibility up to 40 mu g/mL concentrations on mouse fibroblast cell line (L929).
}, keywords = {Alkaline Protease, Characterization, Cytotoxicity, Silver Nanoribbons, Waste X-ray Film}, issn = {2158-5849}, doi = {10.1166/mex.2015.1221}, author = {Shankar, Shiv and Prasad, R. G. S. V. and Selvakannan, P. R. and Jaiswal, Lily and Laxman, Ryali Seeta} } @article { ISI:000348937900068, title = {Green synthesis of stable Cu(0) nanoparticles onto reduced graphene oxide nanosheets: a reusable catalyst for the synthesis of symmetrical biaryls from arylboronic acids under base-free conditions}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {2}, year = {2015}, month = {NOV}, pages = {1251-1260}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Highly stable Cu(0) nanoparticles were synthesized on reduced graphene oxide (rGO) sheets using a cost-effective and green method. The synthesized Cu(0)-nanoparticle-rGO composites exhibit excellent catalytic activity for the synthesis of symmetrical biaryls from arylboronic acids under microwave irradiation. The reaction proceeds smoothly in base-free conditions with easy recovery and reuse of the catalyst. The methodology is compatible with various functional groups and provides an attractive protocol for the synthesis of symmetrical biaryls with very good yields. HRTEM, XPS and XRD analyses showed the catalyst to be recyclable. The Cu(0) nanoparticles are stable in the rGO nanosheets, and the particle size distribution and oxidation state of the Cu(0) nanoparticle remain the same after performing the chemical reaction.
}, issn = {2044-4753}, doi = {10.1039/c4cy01229a}, author = {Hussain, Najrul and Gogoi, Pranjal and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V. and Das, Manash R.} } @article { ISI:000362083400021, title = {Heat transfer and mixing in flow through pinched pipe}, journal = {Canadian Journal of Chemical Engineering}, volume = {93}, number = {10}, year = {2015}, month = {OCT}, pages = {1860-1868}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
There is an increasing trend of using tubular reactors either with passive or active augmentation methods for process intensification. A new passive method with pinching of pipe{\textquoteright} is proposed and investigated for its performance. In the present work, initially, flow in a pinched pipe was studied experimentally and the same was reproduced numerically. The computational model was then used to investigate influences of key geometrical parameters of pinched pipe configuration on pressure drop, heat transfer, and mixing. The simulated results obtained with the pinched pipe were compared with a straight pipe, and with a commonly-used passive augmentation method (twisted tape inserts). The pinched pipe configuration offers better performance and more flexibility in manipulating heat transfer and mixing in intensified devices.
}, keywords = {computational fluid dynamics (CFD), heat transfer, mixing, pinched pipe, pressure drop}, issn = {0008-4034}, doi = {10.1002/cjce.22275}, author = {Hasabnis, Nilesh S. and Totlani, Kartik A. and Ranade, Vivek V.} } @article { ISI:000346742600008, title = {Heterogeneously catalyzed strategies for the deconstruction of high density polyethylene: plastic waste valorisation to fuels}, journal = {Green Chemistry}, volume = {17}, number = {1}, year = {2015}, month = {OCT}, pages = {146-156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The plastic industry generates enormous quantities of plastics at projected rates (both production and consumption) which can significantly threaten our environment in terms of plastic waste generation. High density polyethylene (HDPE) is one of the main fractions of municipal solid waste which has a remarkable potential to be valorised into fuels (e.g. bio-oils). Catalytic degradation is an innovative alternative process to transform plastic waste into such value added products. This mini review was aimed to discuss the most relevant and recent catalysts developed for the catalytic degradation of HDPE including metal oxides, sulphated metal oxides, zeolites, nanostructured zeolites, molecular sieves, fluid catalytic cracking (FCC) catalysts, metal carbonates and mesoporous materials for the production of chemicals and fuels (e.g. diesel and gasolines). Activities and selectivities as well as important effects of additives, particle size, catalyst to polymer ratios and also recent approaches for waste management will be discussed.
}, issn = {1463-9262}, doi = {10.1039/c4gc01760a}, author = {Burange, Anand S. and Gawande, Manoj B. and Lam, Frank L. Y. and Jayaram, Radha V. and Luque, Rafael} } @article { ISI:000349434300057, title = {Hierarchical CdS nanostructure by Lawesson{\textquoteright}s reagent and its enhanced photocatalytic hydrogen production}, journal = {RSC Advances}, volume = {5}, number = {18}, year = {2015}, month = {JAN}, pages = {13715-13721}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Lawesson{\textquoteright}s reagent (LR) has been effectively exploited for the synthesis of hierarchical architectures of cadmium sulphide (CdS) nanostructures for the first time. The X-ray diffractograms of the as synthesised CdS nanostructures confirm the formation of hexagonal CdS. The broadness of the XRD peaks clearly indicates the nanocrystalline nature of CdS with average crystallite size of 4 nm. A FESEM study revealed the formation of hierarchical nanostructures, whereas a TEM study showed that the hierarchical arrangement is composed of nanosized CdS particles. A band-gap i.e. 2.4 eV was derived from diffuse reflectance spectroscopy. The photoluminescence spectrum showed an emission peak at 535 and 568 nm which can be attributed to band-edge emission and surface emissions or possible metal vacancies, respectively. Considering the band-gap within the visible region, the photocatalytic hydrogen evolution performance of these CdS nanostructures was performed under visible light irradiation from hydrogen sulphide and water, respectively. Utmost hydrogen evolution i.e. 14 136 mu mol h(-1) g(-1) and 2065 mu mol h(-1) g(-1) was observed over a naked CdS nanostructure via H2S and water decomposition, respectively. The amount of hydrogen obtained by H2S splitting is much higher as compared to earlier reports.
}, issn = {2046-2069}, doi = {10.1039/c4ra15138k}, author = {Pandit, Vikram U. and Arbuj, Sudhir S. and Hawaldar, Ranjit R. and Kshirsagar, Pradnya V. and Deshmukh, Amarsinh J. and Ambekar, Jalindar D. and Mulik, Uttam P. and Gosavi, Suresh W. and Kale, Bharat B.} } @article { ISI:000350247300002, title = {High molecular weight polylactic acids by polyesterification using diisopropylcarbodiimide (DIPC) and 4-(dimethylamino) pyridinium ptoluene sulfonate (DPTS)}, journal = {Polymer Bulletin }, volume = {72}, number = {3}, year = {2015}, month = {MAR}, pages = {405-415}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
High molecular weight poly(l-lactic acid) has been prepared from the corresponding functionally terminated oligomers employing a polyesterification method at room temperature using diisopropylcarbodiimide and 4-(dimethylamino) pyridinium-p-toluene sulfonate. Self-condensation of hydroxyl and carboxylic acid-terminated poly(l-lactic acid) oligomers (M (n) : similar to 1,000) resulted in polymers with high molecular weights (M (n) \> 45,000) under mild conditions. End-group analysis by MALDI-TOF provided evidence for N-acylurea formation in the product under the reaction conditions employed.
}, issn = {0170-0839}, doi = {10.1007/s00289-014-1285-0}, author = {Shyamroy, S. and Garnaik, Baijayantimala and Sivaram, S.} } @article { ISI:000365525900102, title = {High performance single crystalline PbWO4 nanorod field effect transistor}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {26}, number = {12, SI}, year = {2015}, month = {DEC}, pages = {10044-10048}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The highly crystalline PbWO4 nanorods were synthesized using simple co-precipitation method which has application in field effect transistor. The synthesized PbWO4 nanorods were characterized by XRD, Raman spectroscopy, TEM and HRTEM indicating highly crystalline nature. Field effect transistor was fabricated on pre-patterned 300 nm SiO2/Si substrates using photolithography technique with channel length 1 A mu m and width 20 A mu m. Thin film (similar to 100 nm) was made up of PbWO4 nanorods by spin coating on the pre-patterned device used as channel layer. The field effect mobility was observed to be 4.7 cm(2) V-1 s(-1) and I-ON/OFF ratio similar to 10(3) which is far better than the organic molecules due to single crystalline nature and rod like morphology of the PbWO4 providing direct path for charges to transport towards channel.
}, issn = {0957-4522}, doi = {10.1007/s10854-015-3685-9}, author = {Walke, Pravin S. and Patil, Vandana B. and Mulla, Imtiaz S. and Late, Dattatray J.} } @article {42996, title = {High surface area porous carbon for ultracapacitor application by pyrolysis of polystyrene containing pendant carboxylic acid groups prepared via click chemistry}, journal = {Materials Today Communications}, volume = {4}, year = {2015}, month = {SEP}, pages = {166-175}, doi = {10.1016/j.mtcomm.2015.07.002}, author = {Chhatre, Shraddha and Aravindan, Vanchiappan and Puthusseri, Dhanya and Banerjee, Abhik and Madhavi, Srinivasan and Wadgaonkar, Prakash P. and Ogale, Satishchandra B.} } @conference {42974, title = {High throughput screening of inhibitors for tuberculosis at NCL : a novel drug discovery initiative from CSIR}, booktitle = {73rd CSIR Foundation Day, at CSIR-National Chemical Laboratory, Pune}, year = {2015}, month = {SEP}, publisher = {CSIR-National Chemical Laboratory, Pune}, organization = {CSIR-National Chemical Laboratory, Pune}, address = {CSIR-National Chemical Laboratory, Pune}, abstract = {
Discover and develop novel drugs that are effective at curing latent, drug sensitive and drug resistant TB Study the biology of tuberculosis bacilli in great detail to identify new metabolic pathways that may be vulnerable to drugs Test thousands of potential drugs in our screening facility to find new compounds or new compound classes that kill TB bacteria Increase throughput up to 20,000 compounds at a time Develop novel screens using conditions that mimic those the TB bacteria encounters in the human body Utilize medical chemistry to optimize the structures of compounds so that they kill TB bacteria in a more potent fashion and are non-toxic Meet the challenges from industry
}, author = {Manek, Hardik and Nawale, Laxman and Jadhav, Nandadeep J. and Sarkar, Dhiman} } @article { ISI:000352115600006, title = {Highly active and reusable ternary oxide catalyst for dialkyl carbonates synthesis}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {398}, year = {2015}, month = {MAR}, pages = {42-49}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The application of ternary oxides, prepared through calcination of rare-earth modified Mg/Al-hydrotalcite (HT), as highly active, selective, and reusable solid catalysts for dialkyl carbonates synthesis by transesterification reaction is reported. Dimethyl carbonate, for example, was prepared by reacting ethylene carbonate with methanol in 100 mol\% selectivity at a yield of 95 mol\%. Among several rare-earth modified precursors, La (10 mol\%)-HT showed the highest activity. This catalyst was active even at ambient conditions. Basicity of the catalyst played crucial role on its performance. The activity of these catalysts was superior to the hitherto known solid catalysts for this reaction. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Dialkyl carbonate, Dimethyl carbonate (DMC), Rare-earth modified hydrotalcite, Solid base catalyst, Ternary oxide, Transesterification of cyclic carbonate}, issn = {1381-1169}, doi = {10.1016/j.molcata.2014.11.022}, author = {Unnikrishnan, P. and Srinivas, D.} } @article { ISI:000355925900027, title = {Highly efficient regioselective synthesis of pyrroles via a tandem enamine formation-Michael addition-cyclization sequence under catalyst- and solvent-free conditions}, journal = {Green Chemistry}, volume = {17}, number = {6}, year = {2015}, month = {APR}, pages = {3415-3423}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A convenient catalyst-free, three-component procedure was developed for the synthesis of tetrasubstituted pyrroles under solvent-free conditions and in green solvents glycerol, PEG-200 and water. A sequential enamine-formation, Michael addition and intramolecular cyclization of primary amines, 1,3-dicarbonyl compounds and isatin-derived Michael acceptors afforded 3-(1H-pyrrol-3-yl)indolin-2-ones in excellent yields. In this simple one-pot transformation the requirement of column chromatography purification of the products was completely avoided. Besides, the method is highly environmentally benign and atom-economical, and the only side product of this reaction was two molecules of water. A comparative study for the four developed conditions showed that the solvent-free conditions were superior regardless of the nature of the starting materials, and the green solvents were effective for alkyl and benzylamines affording higher yields compared to arylamines. The preliminary in vitro cytotoxic studies of a representative compound against Ehrlich{\textquoteright}s ascites carcinoma (EAC) tumor cells showed significant activity with a CTC50 value of 15.64 mu M.
}, issn = {1463-9262}, doi = {10.1039/c5gc00365b}, author = {Vivekanand, Thavaraj and Vinoth, Perumal and Agieshkumar, B. and Sampath, Natarajan and Sudalai, Arumugam and Menendez, Carlos and Sridharan, Vellaisamy} } @article { ISI:000358237400020, title = {Highly efficient triphenyl(3-sulfopropyl)phosphonium functionalized phosphotungstic acid on silica as a solid acid catalyst for selective mono-allylation of acetals}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {8}, year = {2015}, month = {MAY}, pages = {4039-4047}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Silica supported phosphotungstic acid functionalized with triphenyl(3-sulfopropyl)phosphonium (PW-Si/TPSP) was developed as a solid acid catalyst for C-C bond formation via Hosomi-Sakurai allylation of acetals. Functionalization of PW as well as its binding to silica was confirmed by solid state P-31-NMR and Si-29-NMR, respectively. Among the various catalysts prepared, the 30\% PW loaded (30PW-Si/TPSP) catalyst gave an excellent yield of homoallyl ethers (HAEs) via selective mono-allylation of acetals with allyltrimethylsilane. A plausible reaction pathway has also been proposed in which the strong Bronsted acid sites of 30PW-Si/TPSP play an important role in activating the acetals to form the corresponding oxonium cations. The versatility of our catalyst was demonstrated for the allylation of a wide variety of acetals while its stability was established in five successful recycling runs.
}, issn = {2044-4753}, doi = {10.1039/c5cy00531k}, author = {Kamble, Sumit B. and Shinde, Suhas H. and Rode, Chandrashekhar V.} } @article { ISI:000363666000023, title = {Highly emissive organic solids with remarkably broad color tunability based on N,C-chelate, four-coordinate organoborons}, journal = {Chemical Communications}, volume = {51}, number = {89}, year = {2015}, month = {SEP}, pages = {16115-16118}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Molecular fluorophores based on N,C-chelate, four-coordinate organo-borons exhibit tunable solid-state emission colors that cover the whole visible region from blue to red. The emission color can be tuned through the substituents on either quinolines or the boron center.
}, issn = {1359-7345}, doi = {10.1039/c5cc06351e}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh S. and Thorat, Shridhar and Maity, Arunava and Kulkarni, Prasad P. and Gonnade, Rajesh G. and Munshi, Parthapratim and Patil, Nitin T.} } @article { ISI:000363996300005, title = {Highly enantioselective Pd-catalyzed synthesis of P-stereogenic supramolecular phosphines, self-assembly, and implication}, journal = {Organometallics}, volume = {34}, number = {20}, year = {2015}, month = {OCT}, pages = {4802-4805}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Metal-catalyzed asymmetric addition of a secondary phosphine to an aryl halide is one of the most efficient and reliable approaches for the construction of enantiopure carbon phosphorus bonds. An isolated Pd(II) complex (5) catalyzes the carbon phosphorus coupling reaction between tolylphenylphosphine (la) and 3-iodophenylurea (2b), which proceeds with an unprecedented enantiomeric excess (ee) of 97\%. The generality of the strategy has been demonstrated by preparing a small library of a new class of P-stereogenic phosphines with an in-built hydrogen bonding motif for the first time. The P-stereogenic phosphines self-assemble on a metal template via deliberately installed hydrogen-bonding motifs and mimic the bidentate ligand coordination. Interestingly, when it was employed in asymmetric hydrogenation, the supramolecular phosphine {1-(3-(phenyl(o-toly)phosphanyl)pheny)ureal} (6b) produced the corresponding hydrogenated product with the highest enantiomeric excess of 99\% along with excellent conversion, demonstrating the potential of these enantioenriched P-chirogenic supramolecular phosphines in asymmetric catalysis.
}, issn = {0276-7333}, doi = {10.1021/acs.organomet.5b00664}, author = {Koshti, Vijay S. and Mote, Nilesh R. and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article { ISI:000348753400054, title = {Highly loaded well dispersed stable Ni species in NiXMg2AlOY nanocomposites: application to hydrogen production from bioethanol}, journal = {Applied Catalysis B-Environmental}, volume = {166}, year = {2015}, month = {MAY}, pages = {485-496}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Inexpensive NiXMg2AlOY nanocomposites with high Ni content (Ni wt\% \> 40\%) are developed as efficient catalysts for the sustainable hydrogen production from a mixture of ethanol and water at low temperature. The NiXMg2AlOY nanocomposites are composed of small and uniform nanoparticles (4-6 nm) of NiO, Ni-Mg-(Al)-O and/or MgO. The strong interactions existing between Ni2+ cations and Mg2+ and/or Al3+ cations either in the Ni-Mg-(Al)-O solid solution and/or at the interface of nanoparticles of NiO and/or Ni-Mg-(Al)-O make the catalyst highly active and stable. The behavior of the solids is analyzed in the presence of low and high concentrations of ethanol while maintaining a H2O/EtOH molar ratio of 3. The NiXMg2AlOY catalysts are shown to be efficient toward H-2 production between 250 and 650 degrees C. In the presence of low concentration of ethanol, on the highly loaded Ni compound (Ni12Mg2AlOY), total conversion of ethanol is obtained at 250 degrees C without formation of CO and carbon, and at 300 degrees C a H-2 yield of 3 mol moletEtOH(-1) is obtained without the formation of CO, exhibiting a remarkable stability with the time on stream even if some carbon is formed. In high concentration of ethanol, total conversion of ethanol is obtained at 450 degrees C on the highly loaded Ni compound (Ni12Mg2AlOY). In such conditions, a stable co-generation of carbon nanofibrous materials which amount increases with Ni content is also obtained. The catalytic stability is related to the type and morphology of the carbon species formed. The correlations among the catalyst properties, the catalytic performances and the characterizations are thoroughly discussed. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Ethanol, Hydrogen, Nanofibrous carbon, nickel oxide, Steam reforming}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2014.11.052}, author = {Fang, Wenhao and Paul, Sebastien and Capron, Mickael and Biradar, Ankush V. and Shubhangi B. Umbarkar and Dongare, Mohan K. and Dumeignil, Franck and Jalowiecki-Duhamel, Louise} } @article { ISI:000364330600008, title = {Highly regioselective isomerizing hydroformylation of long-chain internal olefins catalyzed by a rhodium bis(phosphite) complex}, journal = {ChemCatChem}, volume = {7}, number = {21}, year = {2015}, month = {NOV}, pages = {3468-3471}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
The single-step synthesis, coordination behavior, and application of a bis(phosphite) ligand in the isomerizing hydroformylation of internal olefins was investigated. Interestingly, high-pressure NMR spectroscopy investigations revealed unexpected inequivalency of the two phosphorus nuclei, which display bisequatorial coordination of the bis(phosphite) ligand in a trigonal bipyramidal rhodium complex. Upon employment in the isomerizing hydroformylation of the exceedingly challenging plant oil derived substrate methyl oleate, the bis(phosphite) rhodium complex revealed an unprecedented linear selectivity of 75\%.
}, keywords = {alkenes, bis(phosphite)s, Hydroformylation, isomerization, Rhodium}, issn = {1867-3880}, doi = {10.1002/cctc.201500743}, author = {Pandey, Swechchha and Chikkali, Samir H.} } @article { ISI:000354578900029, title = {High-throughput simulations of dimer and trimer assembly of membrane proteins. the DAFT approach}, journal = {Journal of Chemical Theory and Computation}, volume = {11}, number = {5}, year = {2015}, month = {MAY}, pages = {2278-2291}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Interactions between membrane proteins are of great biological significance and are consequently an important target for pharmacological intervention. Unfortunately, it is still difficult to obtain detailed views on such interactions, both experimentally, where the environment hampers atomic resolution investigation, and computationally, where the time and length scales are problematic. Coarse grain simulations have alleviated the later issue, but the slow movement through the bilayer, coupled to the long life times of nonoptimal dimers, still stands in the way of characterizing binding distributions. In this work, we present DAFT, a Docking Assay For Transmembrane components, developed to identify preferred binding orientations. The method builds on a program developed recently for generating custom membranes, called insane (INSert membrANE). The key feature of DAFT is the setup of starting structures, for which optimal periodic boundary conditions are devised. The purpose of DAFT is to perform a large number of simulations with different components, starting from unbiased noninteracting initial states, such that the simulations evolve collectively, in a manner reflecting the underlying energy landscape of interaction. The implementation and characteristic features of DAFT are explained, and the efficacy and relaxation properties of the method are explored for oligomerization of glycophorin A dimers, polyleucine dimers and trimers, MS1 trimers, and rhodopsin dimers. The results suggest that, for simple helices, such as GpA and polyleucine, in POPC/DOPC membranes series of 500 simulations of 500 ns each allow characterization of the helix dimer orientations and allow comparing associating and nonassociating components. However, the results also demonstrate that short simulations may suffer significantly from nonconvergence of the ensemble and that using too few simulations may obscure or distort features of the interaction distribution. For trimers, simulation times exceeding several microseconds appear needed, due to the increased complexity. Similarly, characterization of larger proteins, such as rhodopsin, takes longer time scales due to the slower diffusion and the increased complexity of binding interfaces. DAFT and its auxiliary programs have been made available from http://cgmartini.nl/, together with a working example.
}, issn = {1549-9618}, doi = {10.1021/ct5010092}, author = {Wassenaar, Tsjerk A. and Pluhackova, Kristyna and Moussatova, Anastassiia and Sengupta, Durba and Marrink, Siewert-Jan and Tieleman, D. Peter and Boeckmann, Rainer A.} } @article { ISI:000357618200043, title = {Hollow tubular porous covalent organic framework (COF) nanostructures}, journal = {Chemical Communications}, volume = {51}, number = {58}, year = {2015}, month = {JUN}, pages = {11717-11720}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Hollow and tubular TpPa-COF structures have been synthesized by template-assisted replication of nanometer sized ZnO-nanorods. The hollow structures composed of microporous TpPa shells have high periodicity, moderate porosity, chemical stability and capsule shaped morphology as revealed by X-ray diffraction, porosity measurements, and SEM and TEM analyses.
}, issn = {1359-7345}, doi = {10.1039/c5cc04130a}, author = {Pachfule, Pradip and Kandmabeth, Sharath and Mallick, Arijit and Banerjee, Rahul} } @article { ISI:000352329300007, title = {Human telomeric RNA G-quadruplex response to point mutation in the G-quartets}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {13}, year = {2015}, month = {APR}, pages = {4617-4627}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Many putative G-quadruplex forming sequences have been predicted to exist in the human genome and transcriptome. As these sequences are subject to point mutations or SNPs (single nucleotide polymorphisms) during the course of evolution, we attempt to understand impact of these mutations in context of RNA G-quadruplex formation using human telomeric RNA (TERRA) as a model sequence. Our studies suggest that G-quadruplex stability is sensitive to substitution of the guanines comprising G-quartets. While central G-quartet plays a crucial role in maintaining the DNA G-quadruplex stability as evident in literature, there is equal importance of three G-quartets in the stability of RNA quadruplex structure. The work here highlights the alterations in the G-quartet are detrimental to the integrity of overall RNA G-quadruplex structure. Furthermore, TmPyP4 molecules are shown to exhibit similar binding behavior toward telomeric RNA G-quadruplex harboring base substitutions employing CD titrations and isothermal titration calorimetry; well indicating that mutation does not influence TmPyP4 recognition ability as it affects the stability of RNA G-quadruplex. Thus, our study implicates that mutation in G-quartets causes destabilization of RNA G-quadruplex without affecting its trans factor binding ability.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b00619}, author = {Agarwala, Prachi and Kumar, Santosh and Pandey, Satyaprakash and Maiti, Souvik} } @article { ISI:000353930700023, title = {Hybrid perovskite films by a new variant of pulsed excimer laser deposition: a room-temperature dry process}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {17}, year = {2015}, month = {APR}, pages = {9177-9185}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new variant of the classic pulsed laser deposition (PLD) process is introduced as a room-temperature dry process for the growth and stoichiometry control of hybrid perovskite films through the use of nonstoichiometric single target ablation and off-axis growth. Mixed halide hybrid perovskite films nominally represented by CH(3)NH(3)PbI(3-x)A(x) (A = Cl or F) are also grown and are shown to reveal interesting trends in the optical properties and photoresponse. Growth of good quality lead-free CH3NH3SnI3 films is also demonstrated, and the corresponding optical properties are presented. Finally, perovskite solar cells fabricated at room temperature (which makes the process adaptable to flexible substrates) are shown to yield a conversion efficiency of about 7.7\%.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b02561}, author = {Bansode, Umesh P. and Naphade, Rounak and Game, Onkar S. and Agarkar, Shruti A. and Ogale, Satishchandra} } @article { ISI:000366006300012, title = {Hydrogen bond and ligand dissociation dynamics in fluoride sensing of Re(I)-polypyridyl complex}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {47}, year = {2015}, month = {NOV}, pages = {14952-14958}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Hydrogen bonding interaction plays an essential role in the early phases of molecular recognition and colorimetric sensing of various anions in aprotic media. In this work, the host-guest interaction between fac-[Re(CO)(3)Cl(L)] with L = 4-([2,2{\textquoteright}-bipyridin]-4-yl)phenol and fluoride ions is investigated for the hydrogen bond dynamics and the changing local coordination environment. The stoichiometric studies using H-1 NMR and ESI-MS spectroscopies have shown that proton transfer in the H-bonded phenol-fluoride complex activates the dissociation of the CO ligand in the Re(I) center. The phenol-to-phenolate conversion during formation of HF2- ion induces nucleophilic lability of the CO ligand which is probed by intraligand charge transfer (ILCT) and ligand-to-metal charge transfer (LMCT) transitions in transient absorption spectroscopy. After photoexcitation, phenol-phenoxide conversion rapidly equilibrates in 280 fs time scale and the ensuing excited state [ReII(bpy(center dot-)-phenolate(-))(CO)(3)Cl]* undergoes CO dissociation in the ultrafast time scale of similar to 3 ps. A concerted mechanism of hydrogen cleavage and coordination change is established in anion sensing studies of the rhenium complex.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b09227}, author = {Verma, Sandeep and Aute, Sunil and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000353641800022, title = {Hydrogen production by the water-gas shift reaction using CuNi/Fe2O3 catalyst}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {5}, year = {2015}, month = {FEB}, pages = {2752-2760}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Incorporation of both Cu and Ni together into the crystalline lattice of Fe2O3 results in a significant increase in the catalytic activity and also suppresses the methanation reaction in the high-temperature water-gas shift (HT-WGS) reaction. CuNi/Fe2O3 exhibited the highest CO conversion with negligible CH4 selectivity at the extremely high GHSV of 101 000 h(-1) (X-CO = 85\% at 400 degrees C). The high activity of CuNi/Fe2O3 catalyst is mainly due to the increase in the lattice strain and the decrease in the binding energy of lattice oxygen. In addition, X-ray photoelectron spectroscopy (XPS) results provide direct evidence for the formation of surface CuNi alloy, which plays a critical role in suppressing the methanation reaction. The detailed characterization by powder X-ray diffraction (XRD), XPS, BET, and H-2 temperature-programmed reduction (TPR) techniques was used to understand the role of dopants on host iron oxides in the enhancement of catalytic activity for HT-WGS reaction.
}, issn = {2044-4753}, doi = {10.1039/c5cy00173k}, author = {Jha, Ajay and Jeong, Dae-Woon and Shim, Jae-Oh and Jang, Won-Jun and Lee, Yeol-Lim and Rode, Chandrashekhar V. and Roh, Hyun-Seog} } @article { ISI:000357961800065, title = {Hydrothermal synthesis and characterization of carbon nanospheres: a mechanistic insight}, journal = {RSC Advances}, volume = {5}, number = {73}, year = {2015}, month = {JUN}, pages = {59491-59494}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Hydrothermally synthesized carbon nanospheres (CNS) follow a process of early nucleation followed by growth during synthesis. Here we report that growth occurs precisely after 5 min and prior to it nucleation occurs. The nucleation is a brief step in nanoparticle formation followed by growth of the nanoparticle depending on the reaction parameters.
}, issn = {2046-2069}, doi = {10.1039/c5ra10194h}, author = {Bhagat, P. N. and Patil, K. R. and Bodas, Dhananjay S. and Paknikar, K. M.} } @article { ISI:000363270000040, title = {Hydrothermal synthesis of WS2/RGO sheet and their application in UV photodetector}, journal = {Journal of Alloys and Compounds}, volume = {653}, year = {2015}, month = {DEC}, pages = {298-303}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Two-dimensional (2D) semiconductor nanomaterials hold great promises for future electronics and optics. In this paper, we report UV photocurrent response of 2D hybrid materials consisting of layered WS2 nanosheets and reduced graphene oxide prepared by using one step hydrothermal method. Few-layer WS2 and WS2/RGO nanosheets are characterized by Raman spectroscopy and HRTEM. The electric and optoelectronic properties of WS2 and WS2/RGO based UV photodetector shows a fast response of 48s and 85s and high photosensitivity (80 mu AW(-1) and 3.21 mAW(-1)) indicating that the two-dimensional composite nanostructure WS2/RGO is an important material for high performance photodetectors. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {nanosheets, UV photodetector, WS2, WS2/RGO}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2015.08.255}, author = {Shelke, Nitin T. and Karche, B. R.} } @article { ISI:000354199900081, title = {Hyperhydrophilic three-dimensional crosslinked beads as an effective drug carrier in acidic medium: adsorption isotherm and kinetics appraisal}, journal = {New Journal of Chemistry}, volume = {39}, number = {5}, year = {2015}, month = {JAN}, pages = {3835-3844}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Conventional drug delivery materials are known to provide slow and low drug loading in aqueous medium due to the hydrophobic or less hydrophilic properties of the carrier. However, the present study explored the synthesis of cheaply available metals modified with a hyperhydrophilic polymer. Hyperhydrophilic three-dimensional crosslinked beads as a drug carrier were synthesized with desirable properties that substantially influence the polymer efficiency. These synthesized polymers were characterized for surface area, particle size, acid content and morphology, and the metal modification was evaluated to obtain an efficient polymer for drug adsorption in an acidic medium. Contact time, which significantly affects drug adsorption was comparatively evaluated using the cheaply available metals, cobalt and nickel. Interestingly, an adsorption study revealed that gradual drug loading occurs during the initial 12 h. Afterwards, adsorption increases steadily and then stabilizes. Furthermore, theoretical predictions of adsorption, including Langmuir adsorption isotherm and pseudo order kinetics, were also evaluated. Remarkably, polymer supported Co/Ni demonstrated 85 and 78\% metoprolol drug adsorption, respectively, at an optimum pH of 3 after 24 h. Langmuir adsorption isotherm revealed monolayer adsorption on the polymer supported Co/Ni. Pseudo first and second order kinetics were also evaluated and demonstrated the adsorption mechanism and equilibrium adsorption capacity, respectively.
}, issn = {1144-0546}, doi = {10.1039/c4nj01999g}, author = {Mane, Sachin and Ponrathnam, Surendra and Chavan, Nayaku} } @article { ISI:000351551800013, title = {Hysteretic DC electrowetting by field-induced nano-structurations on polystyrene films}, journal = {Soft Matter}, volume = {11}, number = {13}, year = {2015}, month = {FEB}, pages = {2655-2664}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Electrowetting (EW) offers executive wetting control of conductive liquids on several polymer surfaces. We report a peculiar electrowetting response for aqueous drops on a polystyrene (PS) dielectric surface in the presence of silicone oil. After the first direct current (DC) voltage cycle, the droplet failed to regain Young{\textquoteright}s angle, yielding contact angle hysteresis, which is close to a value found in ambient air. We conjecture that the hysteretic EW response appears from in situ surface modification using electric field induced water-ion contact with PS surface inducing nano-structuration by electro-hydrodynamic (EHD) instability. Atomic force microscopy confirms the formation of nano-structuration on the electrowetted surface. The effects of molecular weight, applied electric field, water conductivity and pH on nano-structuration are studied. Finally, the EW based nano-structuration on PS surface is used for the enhanced loading of aqueous dyes on hydrophobic surfaces.
}, issn = {1744-683X}, doi = {10.1039/c5sm00007f}, author = {Sawane, Yogesh B. and Datar, Suwarna and Ogale, Satishchandra B. and Banpurkar, Arun G.} } @article {43026, title = {Identification and computational analysis of gene regulatory elements}, journal = {Cold Spring Harbor Protocols}, volume = {1}, year = {2015}, month = {JAN}, abstract = {
Over the last two decades, advances in experimental and computational technologies have greatly facilitated genomic research. Next-generation sequencing technologies have made de novo sequencing of large genomes affordable, and powerful computational approaches have enabled accurate annotations of genomic DNA sequences. Charting functional regions in genomes must account for not only the coding sequences, but also noncoding RNAs, repetitive elements, chromatin states, epigenetic modifications, and gene regulatory elements. A mix of comparative genomics, high-throughput biological experiments, and machine learning approaches has played a major role in this truly global effort. Here we describe some of these approaches and provide an account of our current understanding of the complex landscape of the human genome. We also present overviews of different publicly available, large-scale experimental data sets and computational tools, which we hope will prove beneficial for researchers working with large and complex genomes. {\textcopyright} 2015 Cold Spring Harbor Laboratory Press.
}, doi = {10.1101/pdb.top083642}, author = {Taher, Leila and Narlikar, Leelavati and Ovcharenko, Ivan} } @article {43046, title = {Identification of Th1/Th2 regulatory switch to promote healing response during Leishmaniasis: a computational approach}, journal = {EURASIP Journal on Bioinformatics and Systems Biology}, volume = {1}, year = {2015}, month = {DEC}, abstract = {
Leishmania devices its survival strategy by suppressing the host{\textquoteright}s immune functions. The antigen molecules produced by Leishmania interferes with the host{\textquoteright}s cell signaling cascades and consequently changes the protein expression pattern of the antigen-presenting cell (APC). This creates an environment suitable for the switching of the T-cell responses from a healing Th1 response to a non-healing Th2 response that is favorable for the continued survival of the parasite inside the host APC. Using a reconstructed signaling network of the intracellular and intercellular reactions between a Leishmania infected APC and T-cell, we propose a computational model to predict the inhibitory effect of the Leishmania infected APC on the T-cell and to identify the regulators of this Th1-/Th2-switching behavior as observed during Leishmania infection. In this work, we hypothesize that a complete removal of the parasite could only be achieved with a simultaneous up-regulation of the healing Th1 response and stimulation of nitric oxide (NO) production from the APCs, and downregulation of the non-healing Th2 response and thereby propose several unique combinations of protein molecules that could elicit this anti-Leishmania immune response. Our results indicate that TLR3 may play a positive role in eliciting NO synthesis, while TLR2 may be responsible for inhibiting an anti-Leishmania immune response. Also, TLR3 overexpression (in the APC), when combined with SHP2 inhibition (in the T cell), produces an anti-Leishmania response that is better than the conventional IFN-gamma or IL12 treatment. A similar anti-Leishmania response is also obtained in another combination where TLR3 (in APC) is overexpressed, and SHC and MKP (of T cell) are inhibited and activated, respectively. Through our study, we also observe that Leishmania infection may induce an upregulation of IFN-beta production from the APC that may lead to an upregulation of the RAP1 and SOCS3 proteins inside the T cell, the potential inhibitors of MAPK and JAK-STAT signaling pathways, respectively, via the TYK2-mediated pathway. This study not only enhances our knowledge in understanding the Th1/Th2 regulatory switch to promote healing response during leishmaniasis but also helps to identify novel combinations of proteins as potential immunomodulators. Electronic supplementary material The online version of this article (doi:10.1186/s13637-015-0032-7) contains supplementary material, which is available to authorized users.
}, doi = {10.1186/s13637-015-0032-7}, author = {Ganguli, Piyali and Choudhury, Saikat and Choudhury, Shomeek and Sarkar, Ram Rup} } @article { ISI:000358370700007, title = {Identifying solid luminogens through gold-catalysed intramolecular hydroarylation of alkynes}, journal = {European Journal of Organic Chemistry}, number = {22}, year = {2015}, month = {AUG}, pages = {4860-4867}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
The identification of a new class of luminogens based on pyrrolo-quinoxaline embedded coumarin (PQC) structures is reported. The reaction relies on the gold-catalyzed hydroarylation reaction of appropriately substituted aryl alkynoates that produces molecules that exhibit solvatochromism and aggregation-induced emission enhancement (AIEE) phenomena. The application of PQCs for live cell imaging has also been demonstrated.
}, keywords = {Cell imaging, Dyes/pigments, fluorescence, Gold, Luminescence, Solvatochromism}, issn = {1434-193X}, doi = {10.1002/ejoc.201500503}, author = {Shaikh, Aslam C. and Shalini, S. and Vaidhyanathan, Ramanathan and Mane, Manoj V. and Barui, Ayan Kumar and Patra, Chitta Ranjan and Venkatesh, Yeduru and Bangal, Prakriti Ranjan and Patil, Nitin T.} } @article {42930, title = {Impedimetric humidity sensor based on ?-Fe2O3 nanoparticles}, journal = {Advanced Device Materials}, volume = {1}, year = {2015}, month = {JAN}, pages = {88-92}, abstract = {
Humidity sensing characteristics of thick-film sensors based on α-Fe2O3 nanoparticles synthesized by hydrothermal method have been reported. The as-synthesized α-Fe2O3 nanoparticles were characterized by using XRD, Raman spectroscopy, TEM and HRTEM. Our TEM result depicts that the size of α-Fe2O3 nanoparticles were in the range of 20{\textendash}30 nm with highly crystalline nature. For humidity sensing experiment, the sensitivity of our α-Fe2O3 nanoparticles-based sensor device was found to be \~{}99\% and the fastest response times were noted, which indicate that the α-Fe2O3 nanoparticle-based humidity sensor device has more future prospects and demand. The humidity sensing properties of α-Fe2O3 nanoparticles seem to be associated to the sorption sites for the water molecules at the nanoparticles interfaces.
}, author = {Patil, U. V. and Rout, C. S. and Late, Dattatray J.} } @article { ISI:000352195500001, title = {Implementation of the Z-vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule}, journal = {Physical Review A}, volume = {91}, number = {3}, year = {2015}, month = {MAR}, pages = {030503}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
The molecular dipole moment and magnetic hyperfine-structure constant demand an accurate wave function far from the nucleus and in the near nuclear region, respectively. We, therefore, employ the so-called Z-vector method in the domain of relativistic-coupled-cluster theory to calculate the first-order property of molecular systems in their open-shell ground-state configuration. The implemented method is applied to calculate the molecular dipole moment and parallel component of the magnetic hyperfine-structure constant of the SrF molecule. The results of our calculation are compared with the experimental and other available theoretically calculated values. We are successful in achieving good accordance with the experimental results. The result of our calculation of the molecular dipole moment is in the accuracy of similar to 0.5\%, which is clearly an improvement over the previous calculation based on the expectation value method in the four-component coupled-cluster framework [V. S. Prasannaa et al., Phys. Rev. A 90, 052507 (2014)]. Thus, it can be inferred that the Z-vector method can provide an accurate wave function in both the near and far nuclear region, which is evident from our calculated results.
}, issn = {2469-9926}, doi = {10.1103/PhysRevA.91.030503}, author = {Sasmal, Sudip and Pathak, Himadri and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article { ISI:000357458400018, title = {In silico ligand binding studies of cyanogenic beta-glucosidase, dhurrinase-2 from Sorghum bicolor}, journal = {Journal of Molecular Modeling}, volume = {21}, number = {7}, year = {2015}, month = {JUL}, pages = {184}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Dhurrinase, a cyanogenic beta-glucosidase from Sorghum bicolor is the key enzyme responsible for the hydrolysis of dhurrin to produce toxic hydrogen cyanide, as a part of plant defence mechanism. Dhurrinase 1 (SbDhr1) and dhurrinase 2 (SbDhr2), two isozymes have been isolated and characterized from S. bicolor. However, there is no information in the literature about the three dimensional (3D) structure of SbDhr2 and molecular interactions involved between the protein and ligand. In this study, the three dimensional structure of SbDhr2 was built based on homology modeling by using the X-ray crystallographic structure of its close homologue SbDhr1 as the template. The generated 3D model was energy minimized and the quality was validated by Ramachndran plot, various bioinformatic tools and their relevant parameters. Stability, folding-unfolding and flexibility of the modeled SbDhr2 was evaluated on the basis of RMSD, radius of gyration (R-g) and RMSF values respectively, obtained through molecular dynamic (MD) simulation. Further, molecular docking was performed with its natural substrate dhurrin, one substrate analogue, three un-natural substrates, and one inhibitor. Analysis of molecular interactions in the SbDhr2-ligand complexes revealed the key amino acid residues responsible to stabilize the ligands within the binding pocket through non-bonded interactions and some of them were found to be conserved (Glu239, Tyr381, Trp426, Glu454, Trp511). Reasonably broader substrate specificity of SbDhr2 was explained through the wider entrance passage observed in comparison to SbDhr1.
}, keywords = {beta-Glucosidase, Dhurrinase, Molecular docking, Molecular dynamic simulation, Sorghum bicolor}, issn = {1610-2940}, doi = {10.1007/s00894-015-2730-1}, author = {Mahajan, Chavi and Patel, Krunal and Khan, Bashir Mohammad and Rawal, Shuban S.} } @article {45943, title = {Indovation{\textquoteright} for affordable excellence}, journal = {Current Science}, volume = {108}, year = {2015}, month = {JAN}, pages = {7-8}, type = {Article}, issn = {0011-3891}, author = {Mashelkar, R. A.} } @article {43025, title = {Influence of carbon and nitrogen source on growth, DON and NIV production by two species of fusarium isolated from finger millets}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {7}, year = {2015}, month = {MAR}, pages = {136-139}, abstract = {
Objective: Influence of different carbon [C] and nitrogen [N] source on the growth and Deoxynivalenol [DON] and Nivalenol [NIV] production by Fusarium aethiopicum and Fusarium culmorum was investigated. Methods: Seven days old monosporic cultures of F. aethiopicum strain GSKUMB [KJ21085] and F. culmorum strain GSKUMB [KJ190159] were grown in CYA broth and incubated at 27{\textpm}2{\textdegree}C on the rotary shaker at 120 rpm for 21 days. At the end of incubation period, cultures were harvested for determination of fungal growth (biomass). The resultant culture filtrates were extracted twice with ethyl acetate and concentrated. One ml of final concentrate in methanol was employed for detection of DON and NIV with the help of RP-HPLC. Results: The highest amount of DON and NIV were produced by F. aethiopicum in the presence of D-mannose and D-galactose as C source, while the highest amount of biomass was recorded on maltose and succinic acid. F. culmorum produced maximum amount of toxins in the presence of D-glucose, D-mannitol and D-fructose. Sodium nitrate was most favorable nitrogen source as it induced maximum amount of toxins by F. aethiopicum, while L-methionine, L-asparatic acid and L-tryptophan were next preferred N source. In contrast, highest biomass of fungus was obtained with L-lysine, L-glutamine and L-tyrosine. F. culmorum produced maximum amount of toxin and biomass with potassium nitrate and L-tyrosine respectively. Conclusion: Present species of Fusarium differed varied both in toxins (DON, and NIV) and biomass production. Their response of fungi under investigation towards C and N sources is also varied.
}, author = {Penugonda, Shilpa and Rao, Vankudoth Koteswara and Rao, K. Narasimha and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article { ISI:000354472900015, title = {Influence of cultivar, ripeness, blanching, drying, irradiation, and pectin recovery on alk(en)ylresorcinols in mango peels}, journal = {European Food Research and Technology}, volume = {240}, number = {6}, year = {2015}, month = {JUN}, pages = {1235-1245}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The influence of different technological treatments on alk(en)ylresorcinol (AR) contents and pattern in mango peels was evaluated using peels from six different mango cultivars. AR concentrations were shown to highly depend on the cultivar. While high AR concentrations were observed in the analyzed monoembryonic cultivars, AR contents in the polyembryonic cultivar Nam Dokmai were significantly lower. Furthermore, for monoembryonic cultivars, AR levels in the peels of ripe fruits were found to be higher than in unripe ones, while AR levels in cv. Nam Dokmai were independent of the ripeness degree. Convective oven drying resulted in a significant reduction in AR contents when compared to lyophilization. Blanching prior to drying diminished AR yields, thus being unsuitable for satisfactory AR recovery. Gamma irradiation did not significantly affect the AR contents. Since depectinization of mango peels significantly concentrated AR amounts in the depectinized pomace, the consecutive extraction of pectin and ARs allows the dual valorization of mango peels. Considering the treatments investigated, the retention of ARs carrying saturated and unsaturated side chains did not differ under acidic conditions, heating, and irradiation, respectively. Consequently, the 1,3-dihydroxybenzene structure was concluded to be the most labile moiety of the AR molecule.
}, keywords = {Alkylresorcinol, By-products, Monoembryonic, Polyembryonic, Pomace, Ultrasound}, issn = {1438-2377}, doi = {10.1007/s00217-015-2426-x}, author = {Geerkens, Christian Hubert and Miller-Rostek, Petra and Matejka, Anna Elisabeth and Nene, Sanjay and Kammerer, Dietmar Rolf and Carle, Reinhold and Schweiggert, Ralf Martin} } @article {43023, title = {Influence of different fusarium species on seed germination and seedlings growth of finger millet (Eleusine coracana L.)}, journal = {Indian Journal of Biotechnology}, volume = {11}, year = {2015}, month = {MAR}, pages = {81-89}, abstract = {
Effect of agriculturally important Fusariumspecies on the seed germination and seedling growth of finger millet (Eleusine coracana L.) was investigated. Species of Fusarium caused significant seed germination inhibition and seedling growth which varied with the species and age of the culture. Culture filtrates of F. moniliforme, F. proliferatum, F. chlamydosporum, F. aethiopicum, F. heterosporum and F. sporotrichoides were comparatively more toxic. The correlation coefficients between polished and unpolished variety of fingermillet seed germination inhibition (0.574, P=0.005), shoot elongation inhibition (0.893, P=0.0000) and root elongation inhibition (0.175, P=0.1770) with culture filtrates of different species of Fusarium was recorded. Pathogenicity studies revealed that F. roseum, F.sporotrichoides, F. proliferatum and F.oxysporum caused seedrot and seedling death. The maximumroot elongation inhibition (52.20\%), mean (36.39\%) andminimum(14.73\%)were recorded toward the toxicity of different species of Fusarium. Significant and positive correlation (0.802, P=0.0026) between the root and shoot, (0.393, P=0.130) between shoot and leaf, (0.121, P=0.369) between root and leaf elongation inhibition of finger millet could be observed. The culture filtrates ofmajormycotoxigenic strains of Fusariumrevealed production of Zearalenone (ZEA), T2 toxin, nivalenol (NIV), Deoxynivalenol (DON) and Deoxyscripenol (DAS). Toxicity of Fusarium species to its seed germination and seedling growth may be attributed to their secondary metabolites including mycotoxins.
}, author = {Penugonda, Shilpa and Rao, Vankudoth Koteswara and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article { ISI:000357869100005, title = {Influence of low-dosage hydrate inhibitors on methane clathrate hydrate formation and dissociation kinetics}, journal = {Energy Technology}, volume = {3}, number = {7, SI}, year = {2015}, month = {JUL}, pages = {717-725}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
This work investigates the effect of low-dosage hydrate inhibitors (LDHIs) on methane hydrate formation and dissociation. The hydrate inhibitors used in this study were the sodium salt of polyacrylic acid, a polysaccharide chitosan, and the linear sulfated polysaccharide i-carrageenan; the inhibiting behavior of these additives were compared with that of the commonly used hydrate inhibitor polyvinylpyrrolidone for methane hydrate formation. A LDHI concentration of 1wt\% was found to increase the induction time relative to that at a LDHI concentration of 0.1wt\%. Chitosan was found to be better than the others in reducing nucleation and the growth rate of the hydrate at a concentration of 1wt\%. At a lower concentration of 0.1wt\%, nucleation inhibition was minimal, however, growth inhibition was significant. The effect of these inhibitors on the decomposition rate of the hydrate was also studied, and the decomposition kinetics at a constant driving force in excess of three-phase equilibrium is reported.
}, keywords = {gas uptake, hydrates, inhibitors, kinetics, thermal stimulation}, issn = {2194-4288}, doi = {10.1002/ente.201500004}, author = {Kumar, Asheesh and Sakpal, Tushar and Kumar, Rajnish} } @proceedings {43399, title = {Influence of macromolecular architecture on necking in polymer extrusion film casting process}, volume = {1664}, year = {2015}, month = {JUN}, pages = {Article Number: 080006}, publisher = {American Institute of Physics, 2 Huntington Quadrangle, STE 1No1, Melville, NY 11747-4501 USA}, address = {Cleveland, OH}, abstract = {
Extrusion film casting (EFC) is an important polymer processing technique that is used to produce several thousand tons of polymer films/coatings on an industrial scale. In this research, we are interested in understanding quantitatively how macromolecular chain architecture (for example long chain branching (LCB) or molecular weight distribution (MWD or PDI)) influences the necking and thickness distribution of extrusion cast films. We have used different polymer resins of linear and branched molecular architecture to produce extrusion cast films under controlled experimental conditions. The necking profiles of the films were imaged and the velocity profiles during EFC were monitored using particle tracking velocimetry (PTV) technique. Additionally, the temperature profiles were captured using an IR thermography and thickness profiles were calculated. The experimental results are compared with predictions of one-dimensional flow model of Silagy et al(1) wherein the polymer resin rheology is modeled using molecular constitutive equations such as the Rolie-Poly (RP) and extended Pom Pom (XPP). We demonstrate that the 1-D flow model containing the molecular constitutive equations provides new insights into the role of macromolecular chain architecture on film necking. D-1. Silagy, Y. Demay, and J-F. Agassant, Polym. Eng. Sci., 36, 2614 (1996).
}, doi = {10.1063/1.4918462}, author = {Pol, Harshawardhan V. and Banik, Sourya and Azad, Lal Busher and Thete, Sumeet and Doshi, Pankaj and Lele, Ashish} } @article { ISI:000353000600003, title = {Inhibition effect of N,N-diglycidyl-4-glycidyloxy aniline on photosensitized cationic polymerization of formulations involving resorcinol diglycidyl ether and poly(propylene glycol)diglycidyl ether}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {303}, year = {2015}, month = {APR}, pages = {17-27}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Cationic photopolymerization studies of poly(propylene glycol)diglycidyl ether with and without 25 wt\% of resorcinol diglycidyl ether were carried out in presence of bis(4-methylphenyl)iodonium hexafluorophosphate as photoinitiator. Analyses were carried out using polychromatic radiation at different temperatures in a photo differential scanning calorimeter. The formulations showed an enhancement in the rate of polymerization on addition of resorcinol diglycidyl ether. The same formulations when subjected to photosensitized polymerization in presence of 1-chloro-4-propoxy-9H-thioxanthen-9-one, showed a reverse behavior in rate due to partial absorption of radiation by resorcinol diglycidyl ether. Studies carried out on by the addition of N,N-diglycidy1-4-glycidyloxy aniline as inhibitor on the photosensitized formulations showed higher scavenging activity by inhibitor. The addition of nitrogen containing epoxy monomer as inhibitor can lead to its possible crosslinking within the matrix on polymerization along with a decrease in rate of polymerization without compromising on the final observed conversion. This effect can occur readily for non vitrifying systems. Thus, this observation provides an insight into its possible usage in a rate controlled photopolymerizable epoxy formulations. The photopolymerization kinetics were found to depend on the nature of generation, propagation and scavenging of active centers which are heavily dependent on diffusional restrictions imparted by in situ viscosity of the system. The kinetic estimations as well as evaluation of autocatalytic kinetic model are investigated. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Glycidyl ether, Inhibition, kinetic model, kinetics, Photopolymerization, Photosensitization}, issn = {1010-6030}, doi = {10.1016/j.jphohtochem.2015.02.001}, author = {Harikrishna, Reghunathan} } @article {43024, title = {Inhibitory effect of essential oils on growth and ochratoxin a production by penicillium species}, journal = {Research Journal of Microbiology}, volume = {10}, year = {2015}, month = {JUN}, pages = {1-8}, abstract = {
The screening of essential oil of brassica (Brassica oleracea), castor (Ricinus communis), coconut (Cocos nucifera), eucalyptus (Eucalyptus globulus), groundnut (Arachis hypogaea), neem (Azadirachta indica), palmolive (Elaeis guineensis) and sunflower (Helianthus annuus) for their efficacy against growth and OTA production by P. verrucosum and P. nordicum was performed. Neem and eucalyptus oil were most effective inhibitors of biomass and OTA production by both the species of Penicillium under investigation. P. nordicum was totally inhibited at 15 {\textmu}L mLG1 concentration of neem and eucalyptus oil, while P. verrucosum was inhibited only to the extent of 77.52-92.49\%. Sunflower and palmolive oils were next in their toxicity against the growth and OTA production by both the species of Penicillium under investigation. Essential oil of brassica, castor, coconut and groundnut varied in their degree of inhibition against P. verrucosum and P. nordicum. A positive correlation coefficient (R) was observed between the inhibitory effect of essential oils on growth (0.8933) and OTA production (0.9242). In conclusion, neem and eucalyptus oils proved to be potential bio-control agents and help to prevent the infestation of stored foods and feeds by 2 species of Penicillium and elaboration of OTA
}, doi = {10.3923/jm.2015.222.229}, author = {Rao, Vankudoth Koteswara and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article { ISI:000353901700002, title = {Insect trehalase: physiological significance and potential applications}, journal = {Glycobiology}, volume = {25}, number = {4}, year = {2015}, month = {APR}, pages = {357-367}, publisher = {OXFORD UNIV PRESS INC}, address = {JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA}, abstract = {
Trehalose, a non-reducing disaccharide, is widespread throughout the biological world. It is the major blood sugar in insects playing a crucial role as an instant source of energy and in dealing with abiotic stresses. The hydrolysis of trehalose is under the enzymatic control of trehalase. The enzyme trehalase is gaining interest in insect physiology as it regulates energy metabolism and glucose generation via trehalose catabolism. The two forms of insect trehalase namely, Tre-1 and Tre-2, are important in energy supply, growth, metamorphosis, stress recovery, chitin synthesis and insect flight. Insect trehalase has not been reviewed in depth and the information available is quite scattered. The present mini review discusses our recent understanding of the regulation, mechanism and biochemical characterization of insect trehalase with respect to its physiological role in vital life functions. We also highlight the molecular and biochemical properties of insect trehalase that makes it amenable to competitive inhibition by most glycosidase inhibitors. Due to its crucial role in carbon metabolism in insects, application of inhibitors against trehalose can form a promising area towards formulating strategies for insect pest control.
}, keywords = {carbohydrate metabolism, glycosidase inhibitor, glycoside hydrolase, trehalase, trehalose}, issn = {0959-6658}, doi = {10.1093/glycob/cwu125}, author = {Shukla, Ekta and Thorat, Leena J. and Nath, Bimalendu B. and Gaikwad, Sushama M.} } @article { ISI:000361424000014, title = {Insertion copolymerization of difunctional polar vinyl monomers with ethylene}, journal = {ACS Macro Letters}, volume = {4}, number = {9}, year = {2015}, month = {SEP}, pages = {933-937}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A single-step synthesis, structural characterization and application of a neutral, acetonitrile ligated, palladium-phosphinesulfonate complex [{P\<\^\>O}PdMe(L)] (P\<\^\>O = K-2-P,O Ar2PC6H4SO2O with Ar = 2-MeOC6H4; L = CH3CN) (3) in coordination/insertion copolymerization of ethylene with difunctional olefin is investigated. In a significant development, complex 3 was found to catalyze insertion copolymerization of industrially relevant 1,1-disubstituted difunctional vinyl monomers for the first time. Thus, insertion copolymerization of ethyl-2-cyanoacrylate (ECA or super glue) and trifluoromethyl acrylic acid (TFMAA) with ethylene produced the corresponding copolymers with 6.5\% ECA and 3\% TFMAA incorporation. Increasing the concentration of difunctional olefins led to higher incorporation but at the expense of lower activities. These observations indicate that complex 3 tolerates difunctional vinyl monomers and provides direct access to difunctional polyolefins that have not been attempted before.
}, issn = {2161-1653}, doi = {10.1021/acsmacrolett.5b00562}, author = {Gaikwad, Shahaji R. and Deshmukh, Satej S. and Gonnade, Rajesh G. and Rajamohanan, P. R. and Chikkali, Samir H.} } @article { ISI:000360415500044, title = {Insights into the molecular dynamics in polysulfone polymers from C-13 solid-state NMR experiments}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {34}, year = {2015}, month = {AUG}, pages = {11287-11294}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The molecular and segmental motions in three different grades of ductile polysulfone polymers; poly(ether sulfone) (PESU), polysulfone (PSU), and poly(phenyl sulfone) (PPSU) are probed using C-13 solid-state NMR experiments. Polarization inversion spin exchange at magic angle (PISEMA) experiments indicates that the phenyl rings in the polymers are undergoing pi-flip motions on the order of 100 kHz. The temperature dependent PISEMA experiments show that the fraction of mobile regions that undergoes aromatic pi-flips is higher in PPSU than in the other two polymers. The center band only detection of exchange (CODEX) experiments was carried out and was unable to detect any slow segmental motions in the chains. A combination of C-13 spin-lattice relaxation time (T-1) and T-1-filtered PISEMA experiments show that the mobile regions in all the polymers are dynamically heterogeneous.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b03103}, author = {Eldho, Kavalakal Mathai and Rajamohanan, P. R. and Anto, Ralf and Bulakh, Neelima N. and Lele, Ashish K. and Ajithkumar, Thalasseril G.} } @article { ISI:000355953200012, title = {Insights into the unfolding pathway and identification of thermally sensitive regions of phytase from aspergillus niger by molecular dynamics simulations}, journal = {Journal of Molecular Modeling}, volume = {21}, number = {6}, year = {2015}, month = {JUN}, pages = {UNSP 163}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Thermal stability is of great importance in the application of commercial phytases. Phytase A (PhyA) is a monomeric protein comprising twelve alpha-helices and ten beta-sheets. Comparative molecular dynamics (MD) simulations (at 310, 350, 400, and 500 K) revealed that the thermal stability of PhyA from Aspergillus niger (A. niger) is associated with its conformational rigidity. The most thermally sensitive regions were identified as loops 8 (residues 83-106), 10 (161174), 14 (224-230), 17 (306-331), and 24 (442-444), which are present on the surface of the protein. It was observed that solvent-exposed loops denature before or show higher flexibility than buried residues. We observed that PhyA begins to unfold at loops 8 and 14, which further extends to loop 24 at the C-terminus. The intense movement of loop 8 causes the helix H2 and beta-sheet B3 to fluctuate at high temperature. The high flexibility of the H2, H10, and H12 helices at high temperature resulted in complete denaturation. The high mobility of loop 14 easily transfers to the adjacent helices H7, H8, and H9, which fluctuate and partially unfold at high temperature (500 K). It was also observed that the salt bridges Asp110-Lys149, Asp205-Lys277, Asp335-Arg136, Asp416-Arg420, and Glu387-Arg400 are important influences on the structural stability but not the thermostability, as the lengths of these salt bridges did not increase with rising temperature. The salt bridges Glu125-Arg163, Asp299-Arg136, Asp266-Arg219, Asp339-Lys278, Asp335-Arg136, and Asp424-Arg428 are all important for thermostability, as the lengths of these bridges increased dramatically with increasing temperature. Here, for the first time, we have computationally identified the thermolabile regions of PhyA, and this information could be used to engineer novel thermostable phytases. Numerous homologous phytases of fungal as well as bacterial origin are known, and these homologs show high sequence similarity. Our findings could prove useful in attempts to increase the thermostability of homologous phytases via protein engineering.
}, keywords = {Conformational dynamics, Molecular dynamics simulations, PhytaseA, Structurally weak regions, Thermostability}, issn = {1610-2940}, doi = {10.1007/s00894-015-2696-z}, author = {Kumar, Kapil and Patel, Krunal and Agrawal, Dinesh C. and Khire, Jayant Malhar} } @article { ISI:000353289100023, title = {Interesting viscosity changes in the aqueous urea-ionic liquid system: effect of alkyl chain length attached to the cationic ring of an ionic liquid}, journal = {Journal of Solution Chemistry}, volume = {44}, number = {3-4, SI}, year = {2015}, month = {APR}, pages = {742-753}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
In the present article, we demonstrate the effect of urea on the structure of the ionic liquids in their aqueous solutions through viscometric methods. We unravel the structure altering effect of urea in its aqueous solutions of ionic liquids possessing higher alkyl chains. The finding is an attempt to discern the anomalous behavior of urea as shown in the past with the help of many techniques. Interestingly, in the aqueous solutions of the imidazolium based ionic liquids having substitution of -C4H9 and -C6H13 groups on the imidazolium ring, urea exhibits kosmotropic behavior. Further increase in the substituted alkyl group such as -C8H17 alters the urea behavior to be chaotropic.
}, keywords = {Alkyl chain length, ionic liquids, Structure-breaker, Structure-maker, Urea, viscosity}, issn = {0095-9782}, doi = {10.1007/s10953-015-0320-6}, author = {Nanda, Raju and Rai, Gitanjali and Kumar, Anil} } @article { ISI:000360313500013, title = {Interlinked population balance and cybernetic models for the simultaneous saccharification and fermentation of natural polymers}, journal = {Biotechnology and Bioengineering}, volume = {112}, number = {10}, year = {2015}, month = {OCT}, pages = {2084-2105}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Simultaneous Saccharification and Fermentation (SSF) is a process where microbes have to first excrete extracellular enzymes to break polymeric substrates such as starch or cellulose into edible nutrients, followed by in situ conversion of those nutrients into more valuable metabolites via fermentation. As such, SSF is very attractive as a one-pot synthesis method of biological products. However, due to the co-existence of multiple biochemical steps, modeling SSF faces two major challenges. The first is to capture the successive chain-end and/or random scission of the polymeric substrates over time, which determines the rate of generation of various fermentable substrates. The second is to incorporate the response of microbes, including their preferential substrate utilization, to such a complex broth. Each of the above-mentioned challenges has manifested itself in many related areas, and has been competently but separately attacked with two diametrically different tools, i.e., the Population Balance Modeling (PBM) and the Cybernetic Modeling (CM), respectively. To date, they have yet to be applied in unison on SSF resulting in a general inadequacy or haphazard approaches to examine the dynamics and interactions of depolymerization and fermentation. To overcome this unsatisfactory state of affairs, here, the general linkage between PBM and CM is established to model SSF. A notable feature is the flexible linkage, which allows the individual PBM and CM models to be independently modified to the desired levels of detail. A more general treatment of the secretion of extracellular enzyme is also proposed in the CM model. Through a case study on the growth of a recombinant Saccharomyces cerevisiae capable of excreting a chain-end scission enzyme (glucoamylase) on starch, the interlinked model calibrated using data from the literature (Nakamura et al., Biotechnol. Bioeng. 53:21-25, 1997), captured features not attainable by existing approaches. In particular, the effect of various enzymatic actions on the temporal evolution of the polymer distribution and how the microbes respond to the diverse polymeric environment can be studied through this framework. Biotechnol. Bioeng. 2015;112: 2084-2105. (c) 2015 Wiley Periodicals, Inc.
}, keywords = {cybernetic modeling, population balance modeling, simultaneous saccharification and fermentation}, issn = {0006-3592}, doi = {10.1002/bit.25616}, author = {Ho, Yong Kuen and Doshi, Pankaj and Yeoh, Hak Koon and Ngoh, Gek Cheng} } @article { ISI:000361190200026, title = {Intramolecular cyclization of carbonate and thiocarbonate derivatives of myo-inositol in the solid state: implications for acyl group transfer reactions in molecular crystals}, journal = {Chemistry-A European Journal}, volume = {21}, number = {39}, year = {2015}, month = {SEP}, pages = {13676-13682}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Racemic 4-O-phenoxycarbonyl and 4-O-phenoxythiocarbonyl derivatives of myo-inositol orthoformate undergo thermal intramolecular cyclization in the solid state to yield the corresponding 4,6-bridged carbonates and thiocarbonates, respectively. The thermal cyclization also occurs in the solution and molten states, but less efficiently, suggesting that these cyclization reactions are aided by molecular pre-organization, although not strictly topochemically controlled. Crystal structures of two carbonates and a thiocarbonate clearly revealed that the relative orientation of the electrophile and the nucleophile in the crystal lattice facilitates the intramolecular cyclization reaction and forbids the intermolecular reaction. The correlation observed between the chemical reactivity and the non-covalent interactions in the crystal of the reactants provides a way to estimate the chemical stability of analogous molecules in the solid state.
}, keywords = {crystal engineering, cyclitols, inositols, nucleophilic substitution, solid-phase synthesis}, issn = {0947-6539}, doi = {10.1002/chem.201501480}, author = {Tamboli, Majid I. and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Krishnaswamy, Shobhana} } @article { ISI:000358620100066, title = {Intrinsic therapeutic and biocatalytic roles of ionic liquid mediated self-assembled platinum-phytase nanospheres}, journal = {RSC Advances}, volume = {5}, number = {77}, year = {2015}, month = {JUL}, pages = {62871-62881}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We herein report the inherent antitumor efficiency of self-assembled phytase enzyme nanospheres and enhance their efficiency by decorating with platinum nanoparticles and with the anticancer drug curcumin. Firstly, controlled self-assembly of phytase enzyme in an Ionic Liquid 1-butyl-3-methylimidazolium tetrafluoroborate [Bmim][BF4], led to the formation of therapeutically active phytase nanospheres. These nanospheres were further decorated with platinum nanoparticles by adding the platinum ions to these spheres and the nanoparticles formation was mediated by the specific interaction between the histidine residue (in active site of phytase enzymes) and the platinum ions and subsequent reduction of the ions into nanoparticles. The enzyme spheres act as a functional soft template for the as-formed platinum nanoparticles. These Platinum decorated hybrid biomacromolecular phytase nanospheres were loaded with the anticancer drug curcumin and all the different kinds of nanospheres were subjected to in vitro cytotoxicity for their anticancer effect on three different kinds of cancer cell lines i.e. MCF-7, Hep-G2 and THP-1 derived human macrophages. We observed a gradual increase in the anticancer effect caused by only phytase nanospheres (25\%), platinum-phytase nanospheres (37\%), phytase-curcumin (78\%) and platinum-phytase-curcumin nanospheres (90\%) that establishes this protein based system as a robust combinatorial drug delivery vehicle. The platinum-phytase spheres also proved their usability as a highly efficient green and reusable biocatalytic system for phytate degradation. The present work facilitates our understanding of ionic liquid based synthesis for multifunctional protein based drug delivery vehicles incorporating combinatorial chemotherapy for potential application as biopharmaceutical agents for tumor treatment and bio-catalysis.
}, issn = {2046-2069}, doi = {10.1039/c5ra11273g}, author = {Soni, Sarvesh K. and Sarkar, Sampa and Selvakannan, P. R. and Sarkar, Dhiman and Bhargava, Suresh Kumar} } @article { ISI:000351354000028, title = {Investigation of antiglycation activity of isoprenaline}, journal = {RSC Advances}, volume = {5}, number = {32}, year = {2015}, month = {MAR}, pages = {25051-25058}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Advanced glycation end products (AGEs) are implicated in pathogenesis of diabetes and its complications. In this study, we report the ability of isoprenaline to inhibit the AGE modification of protein by fluorescence spectroscopy and western blotting. Isoprenaline was more effective in inhibiting AGE modification than aminoguanidine, a well known glycation inhibitor. Further, we show that isoprenaline inhibits at Amadori product formation during glycation reaction by various techniques such as MALDI-TOF-MS, LC-MS/MS, and fructosamine assay. Mass spectrometric analysis of the glycation reaction mixture incubated with isoprenaline suggested that it forms adducts with glucose and thus inhibits glycation. The finding of the additional property of isoprenaline of inhibiting glycation suggests that it is a potential candidate for drug repositioning for the treatment of diabetes and its complications, as it is an FDA approved drug.
}, issn = {2046-2069}, doi = {10.1039/c5ra01723h}, author = {Kolekar, Yogesh M. and Vannuruswamy, Garikapati and Bansode, Sneha B. and Santhakumari, B. and Thulasiram, Hirekodathakallu V. and Kulkarni, Mahesh J.} } @article { ISI:000347895500008, title = {Investigation of phosphoproteome in RAGE signaling}, journal = {Proteomics}, volume = {15}, number = {2-3, SI}, year = {2015}, month = {JAN}, pages = {245-259}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
The receptor for advanced glycation end products (RAGE) is one of the most important proteins implicated in diabetes, cardiovascular diseases, neurodegenerative diseases, and cancer. It is a pattern recognition receptor by virtue of its ability to interact with multiple ligands, RAGE activates several signal transduction pathways through involvement of various kinases that phosphorylate their respective substrates. Only few substrates have been known to be phosphorylated in response to activation by RAGE (e.g., nuclear factor kappa B); however, it is possible that these kinases can phosphorylate multiple substrates depending upon their expression and localization, leading to altered cellular responses in different cell types and conditions. One such example is, glycogen synthase kinase 3 beta which is known to phosphorylate glycogen synthase, acts downstream to RAGE, and hyperphosphorylates microtubule-associated protein tau causing neuronal damage. Thus, it is important to understand the role of various RAGE-activated kinases and their substrates. Therefore, we have reviewed here the details of RAGE-activated kinases in response to different ligands and their respective phosphoproteome. Furthermore, we discuss the analysis of the data mined for known substrates of these kinases from the PhosphoSitePlus (http://www.phosphosite.org) database, and the role of some of the important substrates involved in cancer, diabetes, cardiovascular diseases, and neurodegenerative diseases. In summary, this review provides information on RAGE-activated kinases and their phosphoproteome, which will be helpful in understanding the possible role of RAGE and its ligands in progression of diseases.
}, keywords = {Cell biology, Disease, Glycation, Kinase, Phosphoproteome, RAGE}, issn = {1615-9853}, doi = {10.1002/pmic.201400169}, author = {Batkulwar, Kedar B. and Bansode, Sneha B. and Patil, Gouri V. and Godbole, Rashmi K. and Kazi, Rubina S. and Chinnathambi, Subashchandrabose and Shanmugam, Dhanasekaran and Kulkarni, Mahesh J.} } @article { ISI:000352668900015, title = {Investigation of the effect of amino acid chirality in the internucleoside linker on DNA:DNA and DNA : RNA duplex stability}, journal = {Tetrahedron}, volume = {71}, number = {16}, year = {2015}, month = {APR}, pages = {2442-2449}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Enzymatically and chemically stable amide-linked di/oligonucleosides are highly desired synthetic targets in which the phosphodiester linkages in native DNA are replaced by amide linkers of appropriate length and stereochemistry. The five-atom amide-linked dimers, synthesized from 3{\textquoteright}-amino-3{\textquoteright}-deoxy thymidine, (alpha-(L/D) proline/prochiral glycine and thymidine/uridine-4{\textquoteright}carboxylic acid derivatives, were incorporated into the DNA backbone to achieve partial replacement of selected phosphodiester linkages. The results stressed the importance of the chirality of linker amino acid. D-Proline was found to be the most compatible as an internucleoside linker in the DNA backbone to stabilize the complexes with DNA or RNA as compared to L-proline and glycine. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {alpha-Amino acid, Chiral amide linkage, DNA, Five-atom amide linkage, L/D-Proline}, issn = {0040-4020}, doi = {10.1016/j.tet.2015.02.042}, author = {Seema Bagmare and Gunjal, Anita D. and Kumar, Vaijayanti A.} } @article { ISI:000349069300003, title = {Ionic conductivity probed in main chain liquid crystalline azobenzene polyesters}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {53}, number = {5}, year = {2015}, month = {MAR}, pages = {629-641}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Three main chain thermotropic liquid crystalline (LC) azobenzene polymers were synthesized using the azobenzene twin molecule (P4P) having the structure Phenylazobenzene-tetraethyleneglycol-Phenylazobenzene as the AA monomer and diols like diethylene glycol, tetraethylene glycol (TEG), and hexaethylene glycol as the BB comonomer. Terminal C(O)OMe units on P4P facilitated transesterification with diols to form polyesters. All polymers exhibited stable smectic mesophases. One of the polymers, Poly(P4PTEG) was chosen to prepare composite polymer electrolytes with LiCF3SO3 and ionic conductivity was measured by ac impedance spectroscopy. The polymer/0.3 Li salt complex exhibited a maximum ionic conductivity in the range of 10(-5) S cm(-1) at room temperature (25 degrees C), which increased to 10(-4) S cm(-1) above 65 degrees C. The temperature dependence of ionic conductivity was compared with the phase transitions occurring in the sample and it was observed that the glass transition had a higher influence on the ionic conductivity compared to the ordered LC phase. Reversible ionic conductivity switching was observed upon irradiation of the polymer/0.3 Li salt complex with alternate UV and visible irradiation. (c) 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015, 53, 629-641
}, keywords = {azo polymers, glass transition, liquid-crystalline polymers (LCP)}, issn = {0887-624X}, doi = {10.1002/pola.27484}, author = {Nardele, Chinmay G. and Dhavale, Vishal M. and Sreekumar, K. and Asha, S. K.} } @article { ISI:000354378200018, title = {Iron superoxide dismutases in eukaryotic pathogens: new insights from apicomplexa and trypanosoma structures}, journal = {Acta Crystallographica Section F-Structural Biology Communications}, volume = {71}, number = {5, SI}, year = {2015}, month = {MAY}, pages = {615-621}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Prior studies have highlighted the potential of superoxide dismutases as drug targets in eukaryotic pathogens. This report presents the structures of three iron-dependent superoxide dismutases (FeSODs) from Trypanosoma cruzi, Leishmania major and Babesia bovis. Comparison with existing structures from Plasmodium and other trypanosome isoforms shows a very conserved overall fold with subtle differences. In particular, structural data suggest that B. bovis FeSOD may display similar resistance to peroxynitrite-mediated inactivation via an intramolecular electron-transfer pathway as previously described in T. cruzi FeSOD isoform B, thus providing valuable information for structure-based drug design. Furthermore, lysine-acetylation results in T. cruzi indicate that acetylation occurs at a position close to that responsible for the regulation of acetylation-mediated activity in the human enzyme.
}, keywords = {Apicomplexa, iron superoxide dismutase, Trypanosoma}, issn = {1744-3091}, doi = {10.1107/S2053230X15004185}, author = {Phan, Isabelle Q. H. and Davies, Douglas R. and Moretti, Nilmar Silvio and Shanmugam, Dhanasekaran and Cestari, Igor and Anupama, Atashi and Fairman, James W. and Edwards, Thomas E. and Stuart, Kenneth and Schenkman, Sergio and Myler, Peter J.} } @article { ISI:000357723600001, title = {Isolation, characterization and antifungal docking studies of wortmannin isolated from penicillium radicum}, journal = {Scientific Reports}, volume = {5}, year = {2015}, month = {JUL}, pages = {Article Number: 11948}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
During the search for a potent antifungal drug, a cell-permeable metabolite was isolated from a soil isolate taxonomically identified as Penicillium radicum. The strain was found to be a potent antifungal agent. Production conditions of the active compound were optimized and the active compound was isolated, purified, characterized and identified as a phosphoinositide 3-kinase (PI3K) inhibitor, commonly known as wortmannin (Wtmn). This is very first time we are reporting the production of Wtmn from P. radicum. In addition to its previously discovered anticancer properties, the broad spectrum antifungal property of Wtmn was re-confirmed using various fungal strains. Virtual screening was performed through molecular docking studies against potential antifungal targets, and it was found that Wtmn was predicted to impede the actions of these targets more efficiently than known antifungal compounds such as voriconazole and nikkomycin i.e. 1) mevalonate-5-diphosphate decarboxylase (1FI4), responsible for sterol/isoprenoid biosynthesis; 2) exocyst complex component SEC3 (3A58) where Rho-and phosphoinositide-dependent localization is present and 3) Kre2p/Mnt1p a Golgi alpha1,2-mannosyltransferase (1S4N) involved in the biosynthesis of yeast cell wall glycoproteins). We conclude that Wtmn produced from P. radicum is a promising lead compound which could be potentially used as an efficient antifungal drug in the near future after appropriate structural modifications to reduce toxicity and improve stability.
}, issn = {2045-2322}, doi = {10.1038/srep11948}, author = {Singh, Vineeta and Praveen, Vandana and Tripathi, Divya and Haque, Shafiul and Somvanshi, Pallavi and Katti, S. B. and Tripathi, C. K. M.} } @article { ISI:000346188400085, title = {Kinetic and mechanistic investigations of the Baylis-Hillman reaction in ionic liquids}, journal = {RSC Advances}, volume = {5}, number = {4}, year = {2015}, month = {NOV}, pages = {2994-3004}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report here a quantitative study of the kinetics and mechanism of the Baylis-Hillman reaction in the presence of ionic liquids as solvent media. Apparently, a simple Baylis-Hillman reaction can occur by two different exclusive mechanisms in ionic liquids. The delicate balance of these mechanisms is maintained by the ionic environment employed. The main features of the possible mechanism have been described here along with interesting kinetic consequences. The measurement of rate constants and activation energy parameters demonstrate that as the medium becomes basic, the order of the reaction changes from 1 to 2. An unexpected change in the mechanism of the reaction is observed with a change in the nature of the ionic liquid. The Linear Solvation Energy Relationship has also been used as an investigating tool to delineate the respective contributions of the cation and anion of the ionic liquid. The observation strongly dictates the dependency of the mechanism of the Baylis-Hillman reaction on the nature of the anion of the ionic liquids undertaken for this study.
}, issn = {2046-2069}, doi = {10.1039/c4ra14764b}, author = {Singh, Anshu and Kumar, Anil} } @article { ISI:000362849600271, title = {Landscapes of membrane protein interactions from high-throughput MD simulations using the daft approach}, journal = {Biophysical Journal}, volume = {108}, number = {2, 1}, year = {2015}, note = {59th Annual Meeting of the Biophysical-Society, Baltimore, MD, FEB 07-11, 2015}, month = {JAN}, pages = {526A-526A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Wassenaar, Tsjerk A. and Pluhackova, Kristyna and Moussatova, Anastassiia and Sengupta, Durba and Marrink, Siewert-Jan and Tieleman, D. Peter and Boeckmann, Rainer A.} } @article { ISI:000362308600004, title = {Lannea coromandelica attenuates glucagon and oxyntomodulin mediated cAMP formation in HEK cells stably-expressing human glucagon receptor}, journal = {Journal of Herbal Medicine}, volume = {5}, number = {3}, year = {2015}, month = {SEP}, pages = {153-157}, publisher = {ELSEVIER GMBH, URBAN \& FISCHER VERLAG}, address = {OFFICE JENA, P O BOX 100537, 07705 JENA, GERMANY}, abstract = {
Antagonism of glucagon is a potential therapeutic approach for Type 2 diabetes mellitus (T2DM). The bark extract of Lannea coromandelica has been reported to have hypoglycemic or anti-diabetic effects on animal models and human subjects. The aim of this study was to elucidate the molecular mechanisms of L. coromandelica extract as a glucagon receptor antagonist. The aqueous extract of L. coromandelica bark attenuated glucagon-mediated cAMP formation in a concentration dependent manner with an IC50 value of 4.24 +/- 1.31 mu g/ml. It shifted a concentration response curve of glucagon towards the right with a 4, 21 and 40-fold change in IC50 at 6.25, 12.5 and 25 mu g/ml of extract, respectively. Additionally, it attenuated an oxyntomodulin-mediated cAMP response. The extract was found specifically to inhibit glucagon mediated cAMP formation since it was ineffective in reducing cAMP levels nonspecifically-elevated by forskolin. The data support that the aqueous extract of L. coromandelica antagonizes the glucagon receptor and has the potential to reduce glucagon mediated liver glucose output. (C) 2015 Elsevier GmbH. All rights reserved.
}, keywords = {cAMP, Diabetes, Glucagon, Lannea coromandelica, Mechanism, Oxyntomodulin}, issn = {2210-8033}, doi = {10.1016/j.hermed.2015.06.005}, author = {Walunj, Sameer and Gupta, Rajesh and Joshi, Swati P. and Sabharwal, Sushma G. and Joshi, Kalpana} } @article { ISI:000362662100024, title = {Layer-separated MoS2 bearing reduced graphene oxide formed by an in situ intercalation-cum-anchoring route mediated by Co(OH)(2) as a Pt-free electrocatalyst for oxygen reduction}, journal = {Nanoscale}, volume = {7}, number = {40}, year = {2015}, month = {SEP}, pages = {16729-16736}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A significant improvement in the electrochemical oxygen reduction reaction (ORR) activity of molybdenum sulphide (MoS2) could be accomplished by its layer separated dispersion on graphene mediated by cobalt hydroxide (Co(OH)(2)) through a hydrothermal process (Co(OH)(2)-MoS2/rGO). The activity make-over in this case is found to be originated from a controlled interplay of the favourable modulations achieved in terms of electrical conductivity, more exposure of the edge planes of MoS2 and a promotional role played by the coexistence of Co(OH)(2) in the proximity of MoS2. Co(OH)(2)-MoS2/rGO displays an oxygen reduction onset potential of 0.855 V and a half wave potential (E-1/2) of 0.731 V vs. RHE in 0.1 M KOH solution, which are much higher than those of the corresponding values (0.708 and 0.349 V, respectively) displayed by the as synthesized pristine MoS2 (P-MoS2) under identical experimental conditions. The Tafel slope corresponding to oxygen reduction for Co(OH)(2)-MoS2/rGO is estimated to be 63 mV dec(-1) compared to 68 mV dec(-1) displayed by the state-of-the-art Pt/C catalyst. The estimated number of electrons transferred during oxygen reduction for Co(OH)(2)-MoS2/rGO is in the range of 3.2-3.6 in the potential range of 0.77 V to 0.07 V, which again stands out as valid evidence on the much favourable mode of oxygen reduction accomplished by the system compared to its pristine counterpart. Overall, the present study, thus, demonstrates a viable strategy of tackling the inherent limitations, such as low electrical conductivity and limited access to the active sites, faced by the layered structures like MoS2 to position them among the group of potential Pt-free electrocatalysts for oxygen reduction.
}, issn = {2040-3364}, doi = {10.1039/c5nr04415d}, author = {Illathvalappil, Rajith and Unni, SreeKuttan M. and Kurungot, Sreekumar} } @article {42935, title = {Leucas mollissima, a source of bioactive compounds with antimalarial and antimycobacterium activities}, journal = {Planta Medica Letter}, volume = {2}, year = {2015}, month = {JAN}, pages = {e35-e38}, abstract = {
A phytochemical investigation of the acetone extract from the aerial parts of Leucas mollissima afforded one new (-)epi-marmelo lactone, (2 S, 4R, 6 S)-2,6-dimethyl-6 hydroxy-7-ene-4-olide (1), along with five known compounds, schensianol A (2), vanillin (3), β-hydroxy propiovanillone (4), lanost-9(11),25-diene-3β,24β-diol (5), and lanost-9(11),23E(24)-diene-3β,25-diol (6). Similarly, an investigation of the methanol extract of the aerial parts of L. mollissima resulted in the isolation of three known compounds, (+)-syringaresinol (7), anisofolin A (8), and apigenin 7-O-β-D(- 6''-p-E-coumaroyl)-glucoside (9). Structure elucidation of the isolated compounds was carried out using detailed analysis of 1D and 2D nuclear magnetic resonance. All compounds were evaluated for antimalarial activity against Plasmodium falciparum (3D7) and for antimycobacterium activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis. Compound 8 was found to have promising antimalarial activity (IC50 4.39 {\textpm} 0.25 {\textmu}M), promising antimycobacterium activity [IC50 4.50 {\textpm} 0.75 {\textmu}M (3.31 {\textmu}g/mL)] against M. tuberculosis H37Ra and at 100 {\textmu}g/mL, showed 55.6 \% inhibition of M. bovis. Compound 9 showed moderate inhibition of P. falciparum growth (35 \% inhibition at 10 {\textmu}M) with respect to the positive control atovaquone and 67.4 \% inhibition against M. bovis at 100 {\textmu}g/mL with respect to the positive control rifampicin.
}, author = {Chinchansure, Ashish A. and Arkile, Manisha A. and Shukla, Anurag and Shanmugam, Dhanasekaran and Sarkar, Dhiman and Joshi, Swati P.} } @article {42627, title = {Lifetime of inner-shell hole states of Ar (2p) and Kr (3d) using equation-of-motion coupled cluster method}, journal = {Journal of Chemical Physics}, volume = {143}, year = {2015}, month = {JUL}, pages = {Article No. 024305}, doi = {10.1063/1.4926396}, author = {Ghosh, Aryya and Pal, Sourav and Vaval, Nayana} } @article { ISI:000351236300080, title = {Ligand-, base-, co-catalyst-free copper fluorapatite (CuFAP) as a versatile, ecofriendly, heterogeneous and reusable catalyst for an efficient homocoupling of arylboronic acid at ambient reaction conditions}, journal = {RSC Advances}, volume = {5}, number = {31}, year = {2015}, month = {MAR}, pages = {24675-24680}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This paper describes the first report in which copper species containing copper fluorapatite (CuFAP) acts as a versatile, eco-friendly, recyclable, heterogeneous catalyst for an efficient synthesis of symmetric biaryls from the homo-coupling of arylboronic acids in methanol solvent at ambient reaction conditions. The developed protocol is ligand-, base-, and co-catalyst-free, sustainable, mild, inexpensive, and compatible with a wide range of aromatic/heterocyclic boronic acids and provides the corresponding products in excellent yields without purification. The catalyst was easily recovered from the reaction mixture and reused several times without loss of activity.
}, issn = {2046-2069}, doi = {10.1039/c4ra16760k}, author = {Mulla, Shafeek Abdul Rashid and Chavan, Santosh S. and Pathan, Mohsinkhan Y. and Inamdar, Suleman M. and Shaikh, Taufeekaslam M. Y.} } @article { ISI:000352630600044, title = {Ligand-promoted intramolecular dehydrogenative cross-coupling using a Cu catalyst: direct access to polycyclic heteroarenes}, journal = {Chemical Communications}, volume = {51}, number = {32}, year = {2015}, month = {MAR}, pages = {7065-7068}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A copper(II)-promoted intramolecular C-H coupling reaction between indole-2 and imidazole-2 moieties has been developed for polycyclic heteroarene synthesis. The method provides direct access to biheteroaryl incorporated polycyclic frameworks, which are of huge interest in the area of functional materials and drug-discovery.
}, issn = {1359-7345}, doi = {10.1039/c5cc01817j}, author = {Ray, Devalina and Manikandan, T. and Roy, Arup and Tripathi, Krishna N. and Singh, Ravi P.} } @article { ISI:000347513400044, title = {Lignin depolymerization into aromatic monomers over solid acid catalysts}, journal = {ACS Catalysis}, volume = {5}, number = {1}, year = {2015}, month = {JAN}, pages = {365-379}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
It is imperative to develop an efficient and environmentally benign pathway to valorize profusely available lignin, a component of nonedible lignocellulosic materials, into value-added aromatic monomers, which can be used as fuel additives and platform chemicals. To convert lignin, earlier studies used mineral bases (NaOH, CsOH) or supported metal catalysts (Pt, Ru, Pd, Ni on C, SiO2, Al2O3, etc.) under a hydrogen atmosphere, but these methods face several drawbacks such as corrosion, difficulty in catalyst recovery, sintering of metals, loss of activity, etc. Here we show that under an inert atmosphere various solid acid catalysts can efficiently convert six different types of lignins into value-added aromatic monomers. In particular, the SiO2Al2O3 catalyst gave exceptionally high yields of ca. 60\% for organic solvent soluble extracted products with 95 +/- 10\% mass balance in the depolymerization of dealkaline lignin, bagasse lignin, and ORG and EORG lignins at 250 degrees C within 30 min. GC, GC-MS, HPLC, LC-MS, and GPC analysis of organic solvent soluble extracted products confirmed the formation of aromatic monomers with ca. 90\% selectivity. In the products, confirmation of retention of aromatic nature as present in lignin and the appearance of several functional groups has been carried out by FT-IR and H-1 and C-13 NMR studies. Further, isolation of major products by column chromatography was carried out to obtain aromatic monomers in pure form and their characterization by NMR is presented. A detailed characterization of six different types of lignins obtained from various sources helped in substantiating the catalytic results obtained in these reactions. A meticulous study on fresh and spent catalysts revealed that the amorphous catalysts are preferred to obtain reproducible catalytic results.
}, keywords = {aromatic monomers, Biomass, column chromatography, depolymerization, lignin, solid acid catalysts}, issn = {2155-5435}, doi = {10.1021/cs501371q}, author = {Deepa, Ayillath K. and Dhepe, Paresh Laxmikant} } @article { ISI:000368224600009, title = {Lithium-assisted proton conduction at 150 degrees C in a microporous triazine-phenol polymer}, journal = {Advanced Materials Interfaces}, volume = {2}, number = {16}, year = {2015}, month = {NOV}, pages = {1500301}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, keywords = {conduction, hydrophobic polar frameworks, lithiated polymers, proton conduction, triazine-phenol polymers}, issn = {2196-7350}, doi = {10.1002/admi.201500301}, author = {Nandi, Shyamapada and Dhavale, Vishal M. and Shalini, Sorout and Werner-Zwanziger, Ulrike and Singh, Harpreet and Kurungot, Sreekumar and Vaidhyanathan, Ramanathan} } @article { ISI:000356515600001, title = {Long chain branched impact copolymer of polypropylene: microstructure and rheology}, journal = {Polymer Engineering and Science}, volume = {55}, number = {7}, year = {2015}, month = {JUL}, pages = {1463-1474}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A biphasic impact copolymer of polypropylene (ICP) was modified with peroxide by reactive extrusion process resulting in reduced melt flow index, improved melt strength, and higher die swell. The polymers were for the first time subjected to systematic rheological and microstructural characterization in an effort to understand their structure-property relations. In shear rheological tests, the modified ICP displayed higher flow activation energy, reduced values of loss tangent and nearly equal frequency dependence of storage and loss modulli. The modified ICP also showed strain hardening behaviour in uniaxial extensional rheology and higher crystallization temperature in differential scanning calorimetry (DSC). All these are definitive indications of the presence of long chain branches (LCB). Fitting the rheological data of modified ICPs with the eXtended Pom Pom (XPP) model indicated the presence of LCB on the higher molecular weight fraction in the polymer, a result which was corroborated with multi-detector high temperature gel permeation chromatography (HT-GPC). More importantly, the matrix and rubber phases of the ICP were separately characterized for presence of long chain branching by rheology, DSC and HT-GPC. The results indicate that while LCB existed in the matrix phase, microgels were present in both phases indicating that the reaction with peroxide occurred in both phases. POLYM. ENG. SCI., 55:1463-1474, 2015. (c) 2014 Society of Plastics Engineers
}, issn = {0032-3888}, doi = {10.1002/pen.23993}, author = {Chikhalikar, Kalyani and Deshpande, Anushree and Pol, Harshawardhan and Dhoble, Deepa Arun and Jha, Saroj and Jadhav, Kishor and Mahajan, Sunil and Ahmad, Zubair and Kulkarni, Surendra and Gupta, Surendra and Lele, Ashish K.} } @article {45879, title = {Low surface energy plane exposed co3o4 nanocubes supported on nitrogen-doped graphene as an electrocatalyst for efficient water oxidation}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, year = {2015}, month = {JAN }, pages = {442-451}, type = {Article}, issn = {1944-8244}, doi = {10.1021/am506450c}, author = {Singh, Santosh K. and Dhavale, Vishal M. and Kurungot, Sreekumar} } @article { ISI:000355656000013, title = {Low-temperature sintering and microwave dielectric properties of Zn2SiO4 ceramic added with crystalline zinc borate}, journal = {Journal of Electronic Materials}, volume = {44}, number = {7}, year = {2015}, month = {JUL}, pages = {2312-2320}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The physical and dielectric properties of composites of known microwave materials, Zn2SiO4 and Zn3B2O6, prepared by solid-state reaction, were investigated with the purpose of developing a low-loss dielectric material for low-temperature co-fired ceramic applications. An off-stoichiometric phase of Zn2SiO4 with extra SiO2 was used to avoid the occurrence of unreacted ZnO. During sintering, zinc borate was found to partially react with residual SiO2 to form Zn2SiO4. The residual zinc borate was converted to a boron-rich glassy phase which helped to reduce the sintering temperature of the composite. Good relative sintering density (\> 90\%) at temperatures below the melting temperature of zinc borate is indicative of a sintering mechanism of diffusion-based mass transfer. Composites containing 15 wt.\% zinc borate, 2.5 wt.\% lithium carbonate and 20 wt.\% zinc borate in zinc silicate had dielectric constants of 6.8 and 6.1, quality factors (Qxf) of 48,800 and 94,300 GHz when sintered at 900A degrees C and 950A degrees C, respectively. These quality factor results are close to the best values reported for zinc silicate at these sintering temperatures.
}, keywords = {dielectric constant, LTCC, quality factor, sintering density, zinc borate, zinc silicate}, issn = {0361-5235}, doi = {10.1007/s11664-015-3762-0}, author = {Chaware, Varsha and Deshmukh, Ravindra and Sarode, Chetan and Gokhale, Suresh and Phatak, Girish} } @article {45885, title = {Magnetic and magnetostrictive properties of aluminium substituted cobalt ferrite synthesized by citrate-gel method}, journal = {Journal Of Materials Science}, volume = {50}, year = {2015}, month = {OCT}, pages = {6510-6517}, type = {Article}, abstract = {
Structural, magnetic and magnetostrictive properties of sintered aluminium-substituted cobalt ferrite, CoAlxFe2-xO4 (x = 0.0, 0.1, 0.20, 0.30), derived from nanosized powders synthesized by a citrate-gel method, have been investigated. The sample with x = 0.1 is found to exhibit higher maximum magnetostriction strain at relatively lower magnetic fields (230 ppm at 286 kA/m) than that obtained for the unsubstituted cobalt ferrite (217 ppm, at 446 kA/m). All the Al-substituted compositions show larger strain sensitivity (d lambda/dH) at low magnetic fields compared to that for the unsubstituted cobalt ferrite. The variation of the magnetostriction coefficient as well as the strain sensitivity with Al content is likely to be due to the changes in the cation distribution in the tetrahedral and octahedral sites of the spinel lattice along with the associated changes in the magnetocrystalline anisotropy. The magnetostriction coefficient of x = 0.1 could be further enhanced to 306 ppm (at 220 kA/m) after a magnetic field annealing at 300 degrees C. A very high strain sensitivity of 4.5 x 10(-9) m/A is obtained for the magnetically annealed sample, larger than that reported for any substituted cobalt ferrite samples. The combination of high magnetostriction coefficient and strain sensitivity is suitable for device applications.
}, issn = {0022-2461}, doi = {10.1007/s10853-015-9211-x}, author = {Anantharamaiah, P. N. and Joy, P. A.} } @article { ISI:000351137600009, title = {Male biased gene flow in banana pseudostem weevil (Odoiporus longicollis Oliver) as revealed by analysis of the COI-tRNA(Leu) COII region}, journal = {Genetica}, volume = {143}, number = {1}, year = {2015}, month = {FEB}, pages = {85-92}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The genetic diversity amongst thirty weevils representing six Indian populations of banana pseudostem weevil i.e. Odoiporus longicollis (Oliver) was estimated by sequence analysis of the partial COI-tRNA(Leu)-COII region. The sequences exhibited AT bias typical of insect mitochondrial DNA which was highest in the first codon position of COI and in the third codon position of COII. There was no phylogeographic distribution of the populations. The Fu and Li{\textquoteright}s D and F tests were non-significant for this mitochondrial region. No Wolbachia infection was detected in any of the populations. The genetic differentiation amongst the populations was highly significant (p \< 0.001; chi(2) = 123.333; df = 75), suggesting restricted gene flow between the populations. This result did not correlate with that obtained with nuclear rDNA markers i.e. ITS1 and ITS2, suggesting a male biased gene flow between the populations.
}, keywords = {Banana pseudostem weevil, COI-tRNA(Leu) -COII, Genetic differentiation, Male biased gene flow, Odoiporus longicollis (Oliver)}, issn = {0016-6707}, doi = {10.1007/s10709-015-9817-6}, author = {Shankar, Pallavi and Kulkarni, Vishvas M. and Kumar, Lalitha Sunil} } @article { ISI:000353360300017, title = {Manganese increases high mannose glycoform on monoclonal antibody expressed in cho when glucose is absent or limiting: implications for use of alternate sugars}, journal = {Biotechnology Progress}, volume = {31}, number = {2}, year = {2015}, month = {MAR-APR}, pages = {460-467}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Alternate sugars such as galactose and fructose are metabolized at a slower rate than glucose and result in lower accumulation of lactate. While low lactate accumulation is desirable, we report that complete substitution of glucose with these sugars results in an increase in M5 high mannose glycans. Surprisingly, this increase is much higher when the culture is supplemented with manganese: for example, when cells are cultured with galactose, M5 high mannose glycan content increased from 5\% at 1 nM Mn2+ in the basal medium to 32\% with 16 mu M Mn2+ supplementation. When galactose is supplemented with glucose maintained at low concentrations, a small reduction in high mannose glycans is seen. In control cultures with glucose, the high mannose content was however \<2\% in this range of Mn2+ concentration. By varying Mn2+ and glucose supplementation levels, with or without galactose, we systematically demonstrate that Mn2+ concentration and glucose availability, together, significantly affect the high mannose glycan content. To our knowledge, this is the first report that shows that the effect of Mn2+ on high mannose glycan content depends on glucose availability. At each Mn2+ supplementation level evaluated, galactosylation percentages were highest for cultures where galactose was supplemented with glucose at non-limiting concentration. (c) 2014 American Institute of Chemical Engineers Biotechnol. Prog., 31:460-467, 2015
}, keywords = {CHO, fructose, galactose, glucose, glycosylation, high-mannose glycan, manganese}, issn = {8756-7938}, doi = {10.1002/btpr.2029}, author = {Surve, Tanaya and Gadgil, Mugdha} } @article { ISI:000349848800001, title = {Mathematical modeling of combinatorial regulation suggests that apparent positive regulation of targets by miRNA could be an artifact resulting from competition for mRNA}, journal = {RNA-A Publication of the RNA Society}, volume = {21}, number = {3}, year = {2015}, month = {MAR}, pages = {307-319}, publisher = {COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT}, address = {1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA}, abstract = {
MicroRNAs bind to and regulate the abundance and activity of target messenger RNA through sequestration, enhanced degradation, and suppression of translation. Although miRNA have a predominantly negative effect on the target protein concentration, several reports have demonstrated a positive effect of miRNA, i.e., increase in target protein concentration on miRNA overexpression and decrease in target concentration on miRNA repression. miRNA-target pair-specific effects such as protection of mRNA degradation owing to miRNA binding can explain some of these effects. However, considering such pairs in isolation might be an oversimplification of the RNA biology, as it is known that one miRNA interacts with several targets, and conversely target mRNA are subject to regulation by several miRNAs. We formulate a mathematical model of this combinatorial regulation of targets by multiple miRNA. Through mathematical analysis and numerical simulations of this model, we show that miRNA that individually have a negative effect on their targets may exhibit an apparently positive net effect when the concentration of one miRNA is experimentally perturbed by repression/overexpression in such a multi-miRNA multitarget situation. We show that this apparent unexpected effect is due to competition and will not be observed when miRNA interact noncompetitively with the target mRNA. This result suggests that some of the observed unusual positive effects of miRNA may be due to the combinatorial complexity of the system rather than due to any inherently unusual positive effect of the miRNA on its target.
}, keywords = {combinatorial binding, mathematical model, miRNA, post-transcriptional regulation}, issn = {1355-8382}, doi = {10.1261/rna.046862.114}, author = {Nyayanit, Dimpal and Gadgil, Chetan J.} } @article { ISI:000359234100023, title = {M-Au/TiO2 (M = Ag, Pd, and Pt) nanophotocatalyst for overall solar water splitting: role of interfaces}, journal = {Nanoscale}, volume = {7}, number = {32}, year = {2015}, month = {JUL}, pages = {13477-13488}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
M-Au/TiO2 (M = Ag, Pd, Pt) composites were prepared through a facile one-pot photodeposition synthesis and evaluated for solar water splitting (SWS) with and without a sacrificial agent. The M-Au combination exhibits a dominant role in augmenting the H2 generation activity by forming a bi-metallic system. Degussa P25 was used as a TiO2 substrate to photodeposit Au followed by Au + M (M = Ag/Pd/Pt). The SWS activity of the M-Au/TiO2 was determined through photocatalytic H-2 production in the presence of methanol as a sacrificial agent under one sun conditions with an AM1.5 filter. The highest H-2 yield was observed for Pt-0.5-Au-1/TiO2 and was around 1.3 +/- 0.07 mmol h(-1) g(-1), with an apparent quantum yield (AQY) of 6.4\%. Pt-0.5-Au-1/TiO2 also demonstrated the same activity for 25 cycles of five hours each for 125 h. Critically, the same Pt-0.5-Au-1/TiO2 catalyst was active in overall SWS (OSWS) without any sacrificial agent, with an AQY = 0.8\%. The amount of Au and/or Pt was varied to obtain the optimum composition and it was found that the Pt0.5-Au1/TiO2 composition exhibits the best activity. Detailed characterization by physico-chemical, spectral and microscopy measurements was carried out to obtain an in-depth understanding of the origin of the photocatalytic activity of Pt-0.5-Au-1/TiO2. These in-depth studies show that gold interacts predominantly with oxygen vacancies present on titania surfaces, and Pt preferentially interacts with gold for an effective electron-hole pair separation at Pt-Au interfaces and electron storage in metal particles. The Pt in Pt-0.5-Au-1/TiO2 is electronically and catalytically different from the Pt in Pt/TiO2 and it is predicted that the former suppresses the oxygen reduction reaction.
}, issn = {2040-3364}, doi = {10.1039/c5nr03735b}, author = {Melvin, Ambrose A. and Illath, Kavya and Das, Tanmay and Raja, Thirumalaiswamy and Bhattacharyya, Somnath and Gopinath, Chinnakonda S.} } @article { ISI:000351972400028, title = {Mechanically stable thermally cross linked poly(acrylic acid)/reduced graphene oxide aerogels}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {11}, year = {2015}, month = {MAR}, pages = {6220-6229}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Graphene oxide (GO) aerogels, high porosity (\>99\%) low density (similar to 3-10 mg cm(-3)) porous materials with GO pore walls, are particularly attractive due to their lightweight, high surface area, and potential use in environmental remediation, superhydrophobic and superoleophilic materials, energy storage, etc. However, pure GO aerogels are generally weak and delicate which complicates their handling and potentially limits their commercial implementation. The focus of this work Vas to synthesize highly elastic, mechanically stable aerogels that are robust and easy to handle without substantially sacrificing their high porosity or low density. To overcome this challenge, a small amount of readily available and, thermally cross-linkable poly(acrylic acid) (PAA) was intermixed with GO to enhance the mechanical integrity Of the aerogel without disrupting other desirable characteristic properties. This method is a simple straightforward procedure that does not include multistep or complicated chemical reactions, and it produces aerogels with mass densities of about 4-6 mg cm(-3) and \>99.6\% porosity-that can reversibly support up to 10 000 times their weight with full recovery of their original volume. Finally; pressure sensing capabilities were demonstrated and their oil absorption capacities were measured to be around 120 g oil per g aerogel(-1) which highlights their potential Use in practical applications.
}, keywords = {aerogels, environmental remediation, graphene, Nanocomposites, poly(acrylic acid)}, issn = {1944-8244}, doi = {10.1021/acsami.5b00407}, author = {Ha, Heonjoo and Shanmuganathan, Kadhiravan and Ellison, Christopher J.} } @article { ISI:000367118100023, title = {Mechanism of alcohol oxidation by Fe-V(O) at room temperature}, journal = {Inorganic Chemistry}, volume = {54}, number = {24}, year = {2015}, month = {DEC}, pages = {11792-11798}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{Selective oxidation of alcohol to its corresponding carbonyl compound is an important chemical process in biological as well as industrial reactions, The heme containing enzyme CytP450 has been known to selectively oxidize akohols to their corresponding carbonyl compounds. The mechanism of this reaction, which involves high-valent Fe-IV(O)-porphyrin(center dot+) intermediate with alcohol, has been well-studied extensively both with the native enzyme and with model complexes. In this paper, we report for the first time the mechanistic insight of, alcohol oxidation with Fe-V(O) complex of biuret TAML (bTAML), Which is isoelectronic with Fe-IV(O)-porphyrin(center dot+) intermediate form in CytP450. The oxidations displayed saturation kinetics, which allowed us to determine both the binding constants and first-order rate constants for the reaction. The K and k values observed for thel oxidation of benzyl alcohol by Fe-V(O) at room temperature (K = 300 M-1
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b01937}, author = {Ghosh, Munmun and Nikhil, Y. L. K. and Dhar, Basab B. and Sen Gupta, Sayam} } @article { ISI:000357705800012, title = {Mechanism of oxygen atom transfer from Fe-V(O) to olefins at room temperature}, journal = {Inorganic Chemistry}, volume = {54}, number = {13}, year = {2015}, month = {JUL}, pages = {6112-6121}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In biological oxidations, the intermediate Fe-V(0)(OH) has been proposed to be the active species for catalyzing the epoxidation of alkenes by nonheme iron complexes. However, no study has been reported yet that elucidates the mechanism of direct O-atom transfer during the reaction of Fe-V(0) with alkenes to form the corresponding epoxide. For the first time, we study the mechanism of O-atom transfer to alkenes using the Fe-V(0) complex of biuret-modified Fe-TAML at room temperature. The second-order rate constant (k(2)) for the reaction of different alkenes with Fe-V(0) was determined under single-turnover conditions. An 8000-fold rate difference was found between electron-rich (4-methoxystyrene; k(2) = 216 M-1 s(-1)) and electron-deficient (methyl transcinnamate; k(2) = 0.03 M-1 s(-1)) substrates. This rate difference indicates the electrophilic character of Fe-V(0). The use of cis-stilbene as a mechanistic probe leads to the formation of both cis- and trans-stilbene epoxides (73:27). This suggests the formation of a radical intermediate, which would allow C-C bond rotation to yield both stereoisomers of stilbene-epoxide. Additionally, a Hammett rho value of -0.56 was obtained for the para-substituted styrene derivatives. Detailed DFT calculations show that the reaction proceeds via a two-step process through a doublet spin surface. Finally, using biuret-modified Fe-TAML as the catalyst and NaOCl as the oxidant under catalytic conditions epoxide was formed with modest yields and turnover numbers.
}, issn = {0020-1669}, doi = {10.1021/ic503053q}, author = {Singh, Kundan K. and Tiwari, Mrityunjay K. and Dhar, Basab B. and Vanka, Kumar and Sen Gupta, Sayam} } @article { ISI:000364057000083, title = {Mechanistic insight into the biomilling of goethite (alpha-FeO(OH)) nanorods using the yeast Saccharomyces cerevisiae}, journal = {RSC Advances}, volume = {5}, number = {111}, year = {2015}, month = {OCT}, pages = {91785-91794}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Since the last decade, eco-friendly routes for the synthesis of nanostructured materials of various types and functionalities have been a topic of enormous interest in the field of nanotechnology. The primary work in this field started with the {\textquoteleft}bottom-up{\textquoteright} microbial synthesis of nanoparticles, however, the bioleaching potential of microbes was initially overlooked in this research. The bioleaching process is useful especially where the synthesis of particles with size \< 10 nm is challenging. In the present work, the mechanistic insight of biomilling for a gradual transformation of anisotropic alpha-FeO(OH) rod-shaped particles into isotropic nanoparticles below 10 nm size has been explored using detailed UV-vis spectroscopy, transmission electron microscopy, atomic force microscopy, X-ray diffraction, and X-ray photoelectron spectroscopic studies which suggest that the aquo group present at the alpha-FeO(OH) surface may provide the site for interaction with carboxyl ions of protein molecules which results in the formation of a stable coordination compound with Fe3+ ions. This will create a new Fe3+ ion on the surface of the lattice which leads to the repetition of the process of protein complexation with Fe3+ ions and dissociation of the complex from the lattice that causes the fragmentation of bigger nanoparticles into protein functionalized smaller nanoparticles.
}, issn = {2046-2069}, doi = {10.1039/c5ra16951h}, author = {Sharan, Chandrashekhar and Khandelwal, Puneet and Poddar, Pankaj} } @conference {42970, title = {Mechanistic understanding of rapid gelation of silk fibroin using a biosurfactant {\textendash} sophorolipid}, booktitle = {National Science Day, At CSIR-NCL}, year = {2015}, month = {FEB}, address = {National Chemical Laboratory, Pune India}, abstract = {
3D polymeric hydrogels find use in biomedical applications as scaffolds and drug delivery vehicle {\textbullet} Silk fibroin a structural protein is a promising candidate (excellent thermo-mechanicals, biocompatibility, biodegradability) {\textbullet} Sophorolipid (SL)-a biosurfactant is known to exhibit antimicrobial, anti cancerous and cell differentiating. {\textbullet} Use of SL as gelling agent can enhance the applicability of SF hydrogels {\textbullet} SF-SL scaffolds obtained by lyophilization of hydrogels can find application in tissue regeneration
}, author = {Dubey, Parul and Nawale, Laxman and Sarkar, Dhiman and Nisal, Anuya and Prabhune, Asmita} } @article { ISI:000360934400006, title = {MegaMiner: a tool for lead identification through text mining using chemoinformatics tools and cloud computing environment}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {6}, year = {2015}, month = {JAN}, pages = {591-603}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Virtual screening is an indispensable tool to cope with the massive amount of data being tossed by the high throughput omics technologies. With the objective of enhancing the automation capability of virtual screening process a robust portal termed MegaMiner has been built using the cloud computing platform wherein the user submits a text query and directly accesses the proposed lead molecules along with their drug-like, lead-like and docking scores. Textual chemical structural data representation is fraught with ambiguity in the absence of a global identifier. We have used a combination of statistical models, chemical dictionary and regular expression for building a disease specific dictionary. To demonstrate the effectiveness of this approach, a case study on malaria has been carried out in the present work. MegaMiner offered superior results compared to other text mining search engines, as established by F score analysis. A single query term {\textquoteleft}malaria{\textquoteright} in the portlet led to retrieval of related PubMed records, protein classes, drug classes and 8000 scaffolds which were internally processed and filtered to suggest new molecules as potential anti-malarials. The results obtained were validated by docking the virtual molecules into relevant protein targets. It is hoped that MegaMiner will serve as an indispensable tool for not only identifying hidden relationships between various biological and chemical entities but also for building better corpus and ontologies.
}, keywords = {Chemoinformatics, cloud computing, malaria, text mining, virtual screening}, issn = {1386-2073}, doi = {10.2174/1386207318666150703113525}, author = {Karthikeyan, Muthukumarasamy and Pandit, Yogesh and Pandit, Deepak and Vyas, Renu} } @article { ISI:000346079900072, title = {Mesoporous NiCu-CeO2 oxide catalysts for high-temperature water-gas shift reaction}, journal = {RSC Advances}, volume = {5}, number = {2}, year = {2015}, month = {NOV}, pages = {1430-1437}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Mesoporous NiCu-CeO2 oxide catalysts were synthesized by using the evaporation-induced self-assembly method applied to the high-temperature, water-gas shift reaction (HT-WGS) between 350 to 550 degrees C. Nickel and copper loadings on mesoporous ceria were tailored to achieve high activity and selectivity by suppressing methane formation in HT-WGS. Among the prepared catalysts, NiCu(1 : 4)-CeO2 exhibited the highest selectivity to CO2 and H-2 with 85\% CO conversion at a very high GHSV of 83 665 h(-1). The higher activity of the catalysts was due to the mesoporous architecture, which provides more accessible active sites for the WGS reaction. Powder X-ray diffraction (XRD), small angle X-ray scattering (SAXS), N-2-adsorption/desorption isotherm, high-resolution transmission electron microscopy (HR-TEM), and H-2-temperature-programmed reduction (TPR) techniques were used to understand the role of mesoporosity and bimetallic composition of various NiCu-CeO2 oxides in enhancing catalytic activity for HT-WGS.
}, issn = {2046-2069}, doi = {10.1039/c4ra13142h}, author = {Jha, Ajay and Jeong, Dae-Woon and Jang, Won-Jun and Rode, Chandrashekhar V. and Roh, Hyun-Seog} } @article { ISI:000355702900052, title = {Mesoporous TUD-1 supported indium oxide nanoparticles for epoxidation of styrene using molecular O-2}, journal = {RSC Advances}, volume = {5}, number = {58}, year = {2015}, month = {MAY}, pages = {46850-46860}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Activation of molecular O-2 by metal or metal oxide nanoparticles is an area of recent research interest. In this work, for the first time, we report that indium oxide nanoparticles of \<3 nm size dispersed on mesoporous silica (TUD-1) can activate molecular O-2 and produce styrene epoxide with a selectivity of 60\% and styrene conversion around 25\% under mild conditions. It is found that neither indium oxide nor TUD-1 themselves respond to the styrene epoxidation reaction. The computational studies provide evidence that an oxygen molecule is highly polarized when it is located near the interface of both surfaces. The kinetic study shows that the reaction is of pseudo-first order and that the activation energy for styrene conversion is 12.138 kJ mol(-1). The catalysts are recyclable for up to four regeneration steps, with the styrene conversion and styrene epoxide selectivity almost unchanged.
}, issn = {2046-2069}, doi = {10.1039/c5ra03400k}, author = {Rahman, Sumbul and Farooqui, Saleem A. and Rai, Aditya and Kumar, Rawesh and Santra, Chiranjit and Prabhakaran, Vinod C. and Bhadu, Gopala Ram and Sen, Debasis and Mazumder, S. and Maity, Sudip and Sinha, Anil K. and Chowdhury, Biswajit} } @article { ISI:000357438200013, title = {Metabolic profiling of chickpea-Fusarium interaction identifies differential modulation of disease resistance pathways}, journal = {Phytochemistry}, volume = {116}, year = {2015}, month = {AUG}, pages = {120-129}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Chickpea is the third most widely grown legume in the world and mainly used as a vegetarian source of human dietary protein. Fusarium wilt, caused by Fusarium oxysporum f. sp. ciceri (Foc), is one of the major threats to global chickpea production. Host resistance is the best way to protect crops from diseases; however, in spite of using various approaches, the mechanism of Foc resistance in chickpea remains largely obscure. In the present study, non-targeted metabolic profiling at several time points of resistant and susceptible chickpea cultivars using high-resolution liquid chromatography-mass spectrometry was applied to better understand the mechanistic basis of wilt resistance or susceptibility. Multivariate analysis of the data (OPLS-DA) revealed discriminating metabolites in chickpea root tissue after Foc inoculation such as flavonoids, isoflavonoids, alkaloids, amino acids and sugars. Foc inoculated resistant plants had more flavonoids and isoflavonoids along with their malonyl conjugates. Many antifungal metabolites that were induced after Foc infection viz, aurantion-obstine beta-glucosides and querecitin were elevated in resistant cultivar. Overall, diverse genetic and biochemical mechanisms were operational in the resistant cultivar for Foc defense as compared to the susceptible plant. The resistant chickpea plants employed the above-mentioned metabolic pathways as potential defense strategy against Foc. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Chickpea, Fusarium wilt, LC-MS, Metabolomics, OPLS-DA, Phytoalexin}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2015.04.001}, author = {Kumar, Yashwant and Dholakia, Bhushan B. and Panigrahi, Priyabrata and Kadoo, Narendra Y. and Giri, Ashok P. and Gupta, Vidya S.} } @article { ISI:000357805500028, title = {Metal-free regioselective C-3 acetoxylation of N-substituted indoles: crucial impact of nitrogen-substituent}, journal = {RSC Advances}, volume = {5}, number = {71}, year = {2015}, month = {JUN}, pages = {57472-57481}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A metal-free method for the regioselective C-3 acetoxylation of the N-substituted indoles with PhI(OAc)(2) is described under mild reaction conditions. This method tolerates a broad range of functional groups with moderate to good yields. The pi-electron-deficient aryl-substituents on the N-atom of indoles and the acidic reaction medium remarkably favor C-3 acetoxylation.
}, issn = {2046-2069}, doi = {10.1039/c5ra10428a}, author = {Soni, Vineeta and Patel, Ulhas N. and Punji, Benudhar} } @article { ISI:000359067400013, title = {Methane hydrate formation in a test sediment of sand and clay at various levels of water saturation}, journal = {Canadian Journal of Chemistry}, volume = {93}, number = {8, 1, SI}, year = {2015}, month = {AUG}, pages = {874-881}, publisher = {CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS}, address = {65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA}, abstract = {
Kinetics of methane hydrate formation with different ratios of silica sand and clay and different water saturations were studied. At suitable temperature and methane gas pressure, water in the void spaces of silica sand packing and intercalated area of clay were converted into hydrate. It was observed that the rate of hydrate formation increases with higher void space in the packing, and addition of clay in test sediment decreases water to hydrate conversion as well as rate of hydrate formation. Maximum water to hydrate conversion of 60.0\% was achieved in pure silica sand bed at 75\% water saturation. Presence of fine clay particles is expected to reduce the void spaces and thus may hinder effective mass transfer of hydrate forming gases in the bed. However, it is also possible that the bentonite clay used in this work may actually inhibit hydrate growth. Additional experiments in stirred tank reactor were carried out to understand the inhibiting effect of bentonite clay for hydrate formation.
}, keywords = {clay, formation kinetics, methane hydrate, Silica sand, water saturation}, issn = {0008-4042}, doi = {10.1139/cjc-2014-0537}, author = {Kumar, Asheesh and Sakpal, Tushar and Roy, Sudip and Kumar, Rajnish} } @article { ISI:000346692500016, title = {Method to form semiconductor quantum dot (QD) thin films by igniting a flame at air-liquid interface: CdS and WO3}, journal = {Journal of Colloid and Interface Science}, volume = {439}, year = {2015}, month = {FEB}, pages = {121-128}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
We reveal an easy, inexpensive, efficient one step flame synthesis of semiconductor/metal oxide thin films at air-liquid interface, subsequently, transferred on suitable substrate. The method has been illustrated by the formation of CdS and Wo(3) QDs thin films. The features of the present method are (1) Growth of thin films consisting of 0.5-2.0 nm sized Quantum Dots (QDs)/(ultra-small nanoparticles) in a short time, at the air-liquid interface which can be suitably transferred by a well-known Blodgett technique to an appropriate substrate, (2) The method is suitable to apply layer by layer (LbL) technique to increase the film thickness as well as forming various compositions as revealed by AFM measurements. The films are characterized for their structure (SAED), morphology (TEM), optical properties (UV-Vis.) and photoluminescence (PL). Possible mechanism of formation of QDs thin film and effect of capping in case of COS QDs is discussed. (C) 2014 Elsevier Inc. All rights reserved.
}, keywords = {CdS, Flame synthesis, interface, Quantum Dots (QDs), thin film, WO3}, issn = {0021-9797}, doi = {10.1016/j.jcis.2014.10.029}, author = {Jadhav, Aarti H. and Patil, Sagar H. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article { ISI:000360873600007, title = {Microbacterium enclense sp nov., isolated from sediment sample}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {7}, year = {2015}, month = {JUL}, pages = {2064-2070}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {
A novel bacterium (strain NIO-1002(T)) belonging to the genus Microbacterium was isolated from a marine sediment sample in Chorao Island, Goa Province, India. Its morphology, physiology, biochemical features and 16S rRNA gene sequence were characterized. Cells of this strain were Gram-stain-positive, non-motile, non-spore-forming rods that formed yellow-pigmented colonies. It grew in 0-12 \% (w/v) NaCl and at 25-37 degrees C, with optimal growth at 30 degrees C. Phylogenetic analysis based on 16S rRNA gene sequences indicated that strain NIO-1002(T) is associated with members of the genus Microbacterium, with highest sequence similarity with Microbacterium hominis CIP 105731(T) (98.1\%) and Microbacterium testaceum KCTC 9103(T) (98.0 \%). Within the phylogenetic tree, this novel strain shared a branching point with M. hominis CIP 105731(T). The DNA G+C content was 66.5 mol\% and DNA DNA hybridization relatedness between NI-1002(T), M. hominis CIP 105731(T) and M. testaceum KCTC 9103(T) was 39.0 +/- 2.0 \% and 41.0 +/- 2.0 \%, respectively. The major fatty acids were ai-C-15:0, i-C-16:0 and al-C-17:0 and the diamino acid in the cell-wall peptidoglycan of NIO-1002(T) was lysine. Data obtained from DNA-DNA hybridization and chemotaxonomic phenotypic analysis support the conclusion that strain NIO-1002(T) represents a novel species within the genus Microbacterium. The name Microbacterium enclense sp. nov. is proposed, with NIO-1002(T) (=NCIM 5454(T)=DSM 25125(T)=CCTCC AB 2011120(T)) as the type strain.
}, issn = {1466-5026}, doi = {10.1099/ijs.0.000221}, author = {Mawlankar, Rahul R. and Mual, Poonam and Sonalkar, Vidya V. and Thorat, Meghana N. and Verma, Ashish and Srinivasan, Krishnamurthi and Dastager, Syed Gulam} } @article { ISI:000364521100015, title = {Microbial selenium nanoparticles (SeNPs) and their application as a sensitive hydrogen peroxide biosensor}, journal = {Applied Biochemistry and Biotechnology}, volume = {177}, number = {6}, year = {2015}, month = {NOV}, pages = {1386-1393}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
The cell-free extract, a crude enzyme (cytosolic and membrane fraction) obtained from an environmental isolate, Bacillus pumilus sp. BAB-3706 worked as excellent in reducing as well as stabilizing agent and facilitated the formation of stable colloidal selenium nanoparticles (SeNPs). Resulting nanoparticles were characterized using UV-vis spectrophotometer, TEM, EDAX, FT-IR and XRD, respectively. A working electrode was modified by coating the surface of indium tin oxide (ITO) with colloidal SeNPs. Successive additions of H2O2 (100 to 600 mu M) in conventional three electrodes system, cyclic voltammeter with potential scan rate 25.0 mV/s, in 0.1 M phosphate buffer solution (PBS) yielded increase in current. A perpetual amperometric response at fixed potential (-1.0 V) and at selected time interval of 100 s showed different magnitude of current at every addition of H2O2. The linear range of detection of H2O2 was from 5 to 600 mM (R (2) = 0.9965), while the calculated limit of detection was found to be 3.00 mu M. The current study suggested that microbial SeNPs can be used for fabrication of low cost, sensitive H2O2 biosensor.
}, keywords = {Biosensor, EDAX, Hydrogen peroxide, Selenium nanoparticles, TEM, UV-vis spectroscopy}, issn = {0273-2289}, doi = {10.1007/s12010-015-1814-9}, author = {Prasad, Kumar Suranjit and Vaghasiya, Jayraj V. and Soni, Saurabh S. and Patel, Jitesh and Patel, Rinkesh and Kumari, Madhu and Jasmani, Falguni and Selvaraj, Kaliaperumal} } @article { ISI:000361312700001, title = {Micro-structural analysis of NiFe2O4 nanoparticles synthesized by thermal plasma route and its suitability for BSA adsorption}, journal = {Journal of Materials Science-Materials in Medicine}, volume = {26}, number = {8}, year = {2015}, month = {AUG}, pages = {216}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The paper presents the experimental studies pertaining to the adsorption of bovine serum albumin (BSA) on the nanoparticles of nickel ferrite (NiFe2O4) with a view of correlating the adsorption properties to their microstructure and zeta potentials. Physical properties of two kinds of nickel ferrites, one synthesized by thermal plasma route and the other by chemical co-precipitation method, are compared. Maximum adsorption (231.57 lg/mg) of BSA onto nickel ferrite nanoparticles, at body temperature (37 degrees C) was observed at pH-value of 5.58 for the thermal plasma synthesized particles showing its higher adsorption capacity than those synthesized by wet chemical means (178.71 mu g/mg). Under the same physical conditions the value of zeta potential, obtained for the former, was higher than that of the latter over a wide range of pH values (3.64-9.66). This is attributed to the differences in the specific surface energies of the two kinds of nanoparticles arising from the degree of crystallinity. The paper presents the experimental evidence for the single crystalline nature of the individual nanoparticles, with mean size of 32 nm, for the thermal plasma synthesized particles as evidenced from the high resolution transmission electron microscopy and electron diffraction analysis. The measurements also reveal the poor crystalline morphology in the chemically prepared particles (mean size of 28 nm) although the X-ray diffraction patterns are not much different. The atomic force microscopy images confirm that the surfaces of plasma synthesized nanoparticles possesses higher surface roughness than that of chemically synthesized one. Presence of adsorbed protein was confirmed by vibrational spectroscopy. The Langmuir adsorption model is found to fit into the experimental data better than the Freundlich adsorption model.
}, issn = {0957-4530}, doi = {10.1007/s10856-015-5547-7}, author = {Bhosale, Shivaji V. and Kanhe, Nilesh S. and Bhoraskar, S. V. and Bhat, Suresh K. and Bulakhe, Ravindra N. and Shim, Jae-Jin and Mathe, Vikas L.} } @article { ISI:000350222400033, title = {Microwave and hydrothermal syntheses of WSe2 micro/nanorods and their application in supercapacitors}, journal = {RSC Advances}, volume = {5}, number = {28}, year = {2015}, month = {FEB}, pages = {21700-21709}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
WSe2 micro/nanorods were synthesized using one step microwave and hydrothermal methods. The as synthesized micro/nanorod samples of WSe2 were characterized using various characterization techniques such as SEM, TEM, Raman spectroscopy, X-ray diffraction, UV-visible and PL spectroscopy. The as synthesized samples were also tested for their applicability to use as cathode materials for supercapacitor applications. The WSe2 samples prepared by the microwave and hydrothermal methods (with use of tungstic acid as precursor) show noteworthy performance towards supercapacitor application. Our work opens a new avenue to use these simple methods to prepare various morphologies of inorganic nanomaterials and utilize them for various energy and nanoelectronics applications.
}, issn = {2046-2069}, doi = {10.1039/c4ra12599a}, author = {Chakravarty, Disha and Late, Dattatray J.} } @article { ISI:000351435100014, title = {Microwave-assisted synthesis of few-layered TaTe2 and its application as supercapacitor}, journal = {European Journal of Inorganic Chemistry}, number = {9}, year = {2015}, month = {MAR}, pages = {1598-1603}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
We report a simple and rapid microwave-assisted synthesis of tantalum telluride (TaTe2) nanosheets. The ratio of tantalum pentachloride (TaCl5) and elemental tellurium (Te) powder were adjusted in the presence of NaBH4 in such a way as to obtain the TaTe2 nanosheet. The samples were characterized by various techniques such as scanning electron microscopy (SEM), transmission electron microscopy (TEM), atomic force microscopy (AFM), UV/Vis spectroscopy, photoluminescence (PL) spectroscopy, and XRD. Our SEM, TEM, and AFM results show the formation of sheet-like morphology, while the XRD data confirms the high crystalline quality and stable phase of the TaTe2 formed. The supercapacitor cells were fabricated by using TaTe2 nanosheets as anode material, platinum metal wire as a counterelectrode, and Ag/AgCl as reference electrode. The calculated coulombic efficiency is more than 95\%, while the cycle-to-cycle decrease in capacity is less than 5\%. The maximum discharge or charging capacity is below 2.4 Wh/kg, which is an ideal characteristic for achieving supercapacitor behavior.
}, keywords = {Microwave chemistry, Nanostructures, Supercapacitors, Tantalum, Tellurium}, issn = {1434-1948}, doi = {10.1002/ejic.201403220}, author = {Chakravarty, Disha and Kumar, Praveen and Ugale, Vaishali S. and Late, Dattatray J.} } @article { ISI:000362919100021, title = {Mild regiospecific alcoholysis and aminolysis of epoxides catalyzed by zirconium(IV) oxynitrate}, journal = {Tetrahedron Letters}, volume = {56}, number = {43}, year = {2015}, month = {OCT}, pages = {5916-5919}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A regiospecific method for the ring-opening reaction of epoxides by the primary, secondary, tertiary alcohols, and aryl, aliphatic amines has been developed using non-toxic metal nitrate salt as a catalyst. The best results were obtained using zirconium(IV) oxynitrate among the various screened metal nitrate salts. The reported protocol works efficiently for styrene epoxide and aliphatic as well. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Alcoholysis, Aminolysis, Epoxide, Lewis acid, Zirconia}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.09.031}, author = {Shinde, Sandip S. and Said, Madhukar S. and Surwase, Trupti B. and Kumar, Pradeep} } @article { ISI:000363917000023, title = {Modeling hysteresis during crystallization and dissolution: application to a paracetamol-ethanol system}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {42}, year = {2015}, month = {OCT}, pages = {10364-10382}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Crystallization and dissolution processes are of great scientific and commercial interest. Significant efforts have been made in the past to develop mathematical models to describe these processes. In this work, observed hysteresis in particle counts during the crystallization and dissolution processes was used to develop and to test the mathematical models of crystallization and dissolution. Crystallization and dissolution experiments were performed with a system of paracetamol and ethanol. An undersaturated solution was first cooled at a particular rate causing crystallization and crystal growth. The solution was then reheated at the same rate to completely dissolve the generated particles. The particle counts and particle size distribution were measured online using a focus beam reflectance measurement (FBRM) probe. A hysteresis was observed in particle counts with respect to the solution temperature. It was also observed that this hysteresis was affected by the applied heating/cooling rates (0.3, 0.5, and 0.7 K/min) for of the solution. A systematic modeling framework based on the population balance equation (PBE) is developed for quantitatively capturing this hysteresis and the influence of cooling/heating rate on the hysteresis curve. A two-level approach was developed to simulate hysteresis: (a) PBE was solved using computationally efficient method of moments for the crystallization stage. This step was used to efficiently estimate values of parameters appearing in the model equations. (b) PBEs describing crystallization and dissolution were then solved using high resolution finite volume (HRFV) scheme coupled with the moving pivot method. The simulated hysteresis curve showed good agreement with the experimental data. Though simulated results over predicted the average particle (by,similar to 131\%), the models were successful in qualitatively explaining the counterintuitive trends observed as the average particle size was tracked with time. The framework was thus shown to be a reliable and robust framework to model crystallization and dissolution processes. The developed approach, models, and results will be useful for simulating industrially relevant crystallization dissolution processes.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b01088}, author = {Pandit, Ajinkya V. and Ranade, Vivek V.} } @article { ISI:000362749100016, title = {Modular synthesis of biaryl-substituted phosphine ligands: application in microwave-assisted palladium-catalyzed C-N cross-coupling reactions}, journal = {European Journal of Organic Chemistry}, number = {29}, year = {2015}, month = {OCT}, pages = {6515-6525}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Biaryl-substituted monophosphine-based ligands have been synthesized by transition-metal-free ARYNE cross-coupling reaction of aryllithiums with 1,2-dibromobenzene and subsequent regioselective functionalization through bromine-lithium interconversion. These ligands were employed in palladium-catalyzed C-N bond-forming reactions. The reaction was found to be general with wide substrate applicability. A wide variety of both primary and secondary amines were successfully coupled with an array of differently substituted halobenzenes under microwave irradiation to give the expected products in good to excellent yields. A number of biaryl-substituted phosphine ligands screened for the coupling reaction showed that steric bulk and the electronic properties of substituents on phosphorus play a crucial role in governing the catalytic activity of C-N cross-coupling reactions.
}, keywords = {Biaryls, Cross-coupling, Homogeneous catalysis, Microwave chemistry, Palladium, Phosphines, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.201500962}, author = {Singh, Chandani and Rathod, Jayant and Jha, Vishwajeet and Panossian, Armen and Kumar, Pradeep and Leroux, Frederic R.} } @article { ISI:000354213400020, title = {Modular synthesis of dihydroxyacetone monoalkyl ethers and isosteric 1-hydroxy-2-alkanones}, journal = {European Journal of Organic Chemistry}, number = {13}, year = {2015}, month = {MAY}, pages = {2960-2964}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Straightforward methods for the efficient, systematic preparation of libraries of the title compound classes have been evaluated. A general and efficient modular route to dihydroxyacetone monoethers was developed based on trityl glycidol, which, through epoxide opening, oxidation, and deprotection, provided variously alkylated ethers by three routine operations in good overall yields (eight examples, 24-59\%). The preparation of structurally related 1-hydroxyalkanones depends on the availability of the most economic starting materials and on their physicochemical properties. Thus, the most practical one-step approaches consisted of the sec-selective oxidation of short-chain 1,2-diols (\<= C-6) using NaOCl, and the direct ketohydroxylation of 1-alkenes (\>= C-6) using buffered stoichiometric KMnO4 or catalytic RuO4 with reoxidation by oxone, for which mostly good overall yields were achieved on a multigram scale (nine examples, 15-78\%).
}, keywords = {Alkylation, Hydroxylation, Ketones, Oxidation, Oxygenation, Regioselectivity, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.201403695}, author = {Gueclue, Deniz and Rale, Madhura and Fessner, Wolf-Dieter} } @article {43002, title = {Molecular docking and QSAR analyses for understanding the antimalarial activity of some 7-substituted-4-aminoquinoline derivatives}, journal = {European Journal of Pharmaceutical Sciences}, volume = {77}, year = {2015}, month = {SEP}, pages = {9-23}, abstract = {
The quinoline moiety is one of the widely studied scaffolds for generating derivatives with various pharmacophoric groups due to its potential antimalarial activities. In the present study, a series of 7-substituted-4-aminoquinoline derivatives were selected to understand their antimalarial properties computationally by molecular modeling techniques including 2D QSAR, comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA) and molecular docking. The 2D-QSAR model built with four descriptors selected by genetic algorithm technique and CoMFA model showed satisfactory statistical results (Q(2) = 0.540, R-ncv(2) = 0.881, F value = 157.09). A reliable CoMSIA model out of the fourteen different combinations has a Q(2) value of 0.638. The molecular docking studies of the compounds for 1CET as the protein target revealed that ten compounds showed maximum interactions with the binding site of the protein. The present study highlights the unique binding signatures of the ligands within the active site groove of the target and it explains the subtle differences in their EC50 values and their mechanism of inhibition. (C) 2015 Elsevier B.V. All rights reserved.
}, doi = {10.1016/j.ejps.2015.05.025}, author = {Shibi, I. G. and Aswathy, L. and Jisha, Radhakrishnan S. and Masand, Vijay H. and Divyachandran, A. and Gajbhiye, J. M.} } @article { ISI:000358627400006, title = {Molecular dynamics simulations of GPCR-cholesterol interaction: an emerging paradigm}, journal = {Biochimica Et Biophysica Acta-Biomembranes}, volume = {1848}, number = {9, SI}, year = {2015}, month = {SEP}, pages = {1775-1782}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
G protein-coupled receptors (GPCRs) are the largest class of molecules involved in signal transduction across cell membranes and represent major targets in the development of novel drug candidates. Membrane cholesterol plays an important role in GPCR structure and function. Molecular dynamics simulations have been successful in exploring the effect of cholesterol on the receptor and a general consensus molecular view is emerging. We review here recent molecular dynamics studies at multiple resolutions highlighting the main features of cholesterol-GPCR interaction. Several cholesterol interaction sites have been identified on the receptor that are reminiscent of nonannular sites. These cholesterol hot-spots are highly dynamic and have a microsecond time scale of exchange with the bulk lipids. A few consensus sites (such as the CRAC site) have been identified that correspond to higher cholesterol interaction. Interestingly, high plasticity is observed in the modes of cholesterol interaction and several sites have been suggested to have high cholesterol occupancy. We therefore believe that these cholesterol hot-spots are indicative of {\textquoteleft}high occupancy sites{\textquoteright} rather than {\textquoteleft}binding sites{\textquoteright}. The results suggest that the energy landscape of cholesterol association with GPCRs corresponds to a series of shallow minima interconnected by low barriers. These specific interactions, along with general membrane effects, have been observed to modulate GPCR organization. Membrane cholesterol effects on receptor structure and organization, that in turn influences receptor cross-talk and drug efficacy, represent a new frontier in GPCR research. This article is part of a Special Issue entitled: Lipid-protein interactions. Guest Editors: Amitabha Chattopadhyay and jean-Marie Ruysschaert. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Coarse-grain simulation, CRAC, GPCR, Lipid-receptor interaction, Membrane cholesterol, Receptor dimerization}, issn = {0005-2736}, doi = {10.1016/j.bbamem.2015.03.018}, author = {Sengupta, Durba and Chattopadhyay, Amitabha} } @article { ISI:000351933600106, title = {Molecular dynamics study of model SI clathrate hydrates: the effect of guest size and guest-water interaction on decomposition kinetics}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {14}, year = {2015}, month = {FEB}, pages = {9509-9518}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
One of the options suggested for methane recovery from natural gas hydrates is molecular replacement of methane by suitable guests like CO2 and N-2. This approach has been found to be feasible through many experimental and molecular dynamics simulation studies. However, the long term stability of the resultant hydrate needs to be evaluated; the decomposition rate of these hydrates is expected to depend on the interaction between these guest and water molecules. In this work, molecular dynamics simulation has been performed to illustrate the effect of guest molecules with different sizes and interaction strengths with water on structure I (SI) hydrate decomposition and hence the stability. The van der Waals interaction between water of hydrate cages and guest molecules is defined by Lennard Jones potential parameters. A wide range of parameter spaces has been scanned by changing the guest molecules in the SI hydrate, which acts as a model gas for occupying the small and large cages of the SI hydrate. All atomistic simulation results show that the stability of the hydrate is sensitive to the size and interaction of the guest molecules with hydrate water. The increase in the interaction of guest molecules with water stabilizes the hydrate, which in turn shows a slower rate of hydrate decomposition. Similarly guest molecules with a reasonably small (similar to Helium) or large size increase the decomposition rate. The results were also analyzed by calculating the structural order parameter to understand the dynamics of crystal structure and correlated with the release rate of guest molecules from the solid hydrate phase. The results have been explained based on the calculation of potential energies felt by guest molecules in amorphous water, hydrate bulk and hydrate-water interface regions.
}, issn = {1463-9076}, doi = {10.1039/c5cp00678c}, author = {Das, Subhadip and Baghel, Vikesh Singh and Roy, Sudip and Kumar, Rajnish} } @article { ISI:000363167000007, title = {Molecular Fe-complex as a catalyst probe for in-gel visual detection of proteins via signal amplification}, journal = {Chemical Communications}, volume = {51}, number = {83}, year = {2015}, month = {JUL}, pages = {15257-15260}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report the use of a molecular peroxidase mimic biuret-Fe-TAML for chemoselective labeling of proteins and the subsequent visual detection (\<0.1 pmoles) of the conjugate in a polyacrylamide gel by catalytic signal amplification. Use of this probe in activity based protein profiling (ABPP) of serine proteases is also demonstrated.
}, issn = {1359-7345}, doi = {10.1039/c5cc04399a}, author = {Kumari, Sushma and Panda, Chakadola and Mazumdar, Shyamalava and Sen Gupta, Sayam} } @article { ISI:000364830000010, title = {Molecular mechanism underlying recruitment and insertion of lipid-anchored LC3 protein into membranes}, journal = {Biophysical Journal}, volume = {109}, number = {10}, year = {2015}, month = {NOV}, pages = {2067-2078}, publisher = {CELL PRESS}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, abstract = {
Lipid modification of cytoplasmic proteins initiates membrane engagement that triggers diverse cellular processes. Despite the abundance of lipidated proteins in the human proteome, the key determinants underlying membrane recognition and insertion are poorly understood. Here, we define the course of spontaneous membrane insertion of LC3 protein modified with phosphatidylethanolamine using multiple coarse-grain simulations. The partitioning of the lipid anchor chains proceeds through a concerted process, with its two acyl chains inserting one after the other. Concurrently, a conformational rearrangement involving the alpha-helix III of LC3, especially in the three basic residues Lys(65), Arg(68), and Arg(69), ensures stable insertion of the phosphatidylethanolamine anchor into membranes. Mutational studies validate the crucial role of these residues, and further live-cell imaging analysis shows a substantial reduction in the formation of autophagic vesicles for the mutant proteins. Our study captures the process of water-favored LC3 protein recruitment to the membrane and thus opens, to our knowledge, new avenues to explore the cellular dynamics underlying vesicular trafficking.
}, issn = {0006-3495}, doi = {10.1016/j.bpj.2015.09.022}, author = {Thukral, Lipi and Sengupta, Durba and Ramkumar, Amrita and Murthy, Divya and Agrawal, Nikhil and Gokhale, Rajesh S.} } @conference {45949, title = {Molecular sieves and ultrasound-assisted synthesis of novel 1,3,4-oxadiazole-2-thiones derivatives as potential antifungal agents}, booktitle = {19TH INTERNATIONAL ELECTRONIC CONFERENCE ON SYNTHETIC ORGANIC CHEMISTRY}, year = {2015}, publisher = {MDPI; Univ Sanitiago Compostila; SES; Flow Chemistry; REGAL S; Molecules}, organization = {MDPI; Univ Sanitiago Compostila; SES; Flow Chemistry; REGAL S; Molecules}, address = {ST. ALBAN-ANLAGE 66, BASEL, CH-4052, SWITZERLAND}, abstract = {
In the category of microorganism, fungi are considered as the special class of microbes responsible for opportunistic pathogenic infections in humans species. Due to the side effects of commercially available antifungal drugs and the emergence of new drug resistant fungal species in the past few years, has forced the researchers to search for novel and efficient antifungal drug molecules. The 1,3,4-oxadiazoles scaffold is associated with diverse biological activities. The multipurpose use of the Mannich bases in pharmaceutical chemistry promote us to prepare a new series of 5-(4-(benzyloxy)substituted phenyl)-3-((phenyl amino)methyl)-1,3,4oxadiazole-2(3H)-thione as antifungal agents. Herein, we report molecular sieves and ultrasound assisted synthesis of novel series of Mannich bases of the 5-substituted 1,3,4-oxadiazole-2-thiones by amino methylation with paraformaldehyde and substituted primary / secondary amines and their evaluation for antifungal activity. The structures of the newly synthesized compounds were determined by IR, NMR and Mass spectral study. The synthesized compounds exhibited interesting moderate to excellent antifungal activity against Candida albicans (NCIM 3557), Candida albicans(NCIM3471), Candida glabrata(NCIM3237), Cryptococcus neoformans (NCIM 3542), Cryptococcus neoformans(NCIM 3378), Aspergillus fumigates(NCIM 902), Aspergillus niger(NCIM 628) using Flucanazole as a standard reference drug. The synthesised compounds 6d, 6f,6g, 6h and 6j exhibited promising antifungal activity as antifungal agents.
}, keywords = {1, 3, 4-oxadiazoles, Antifungal activity, Mannich reaction, Molecular sieves, Ultrasound -assisted}, doi = {10.3390/ecsoc-19-b008}, author = {Nikalje, Anna Pratima G. and Nimbalkar, Ms Urja D. and Tupe, Santosh and Vazquez, Julio A. Seijas and Tato, Maria Pilar Vazquez}, editor = {Seijas, JA and Tato, MPV and Lin, SK} } @article { ISI:000362436800075, title = {Mono- and binuclear palladacycles via regioselective C-H bond activation: syntheses, mechanistic insights and catalytic activity in direct arylation of azoles}, journal = {RSC Advances}, volume = {5}, number = {99}, year = {2015}, month = {SEP}, pages = {81502-81514}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
{Regioselective C-H bond palladation of the hybrid pincer-type ligands, 3-R2PO-C6H4-1-(CH2NPr2)-Pr-i [(POCNiPr2)-P-R2-H; R = Ph (1a)
}, issn = {2046-2069}, doi = {10.1039/c5ra18289a}, author = {Pandey, Dilip K. and Khake, Shrikant M. and Gonnade, Rajesh G. and Punji, Benudhar} } @article { ISI:000363668200036, title = {Multifaceted core-shell nanoparticles: superparamagnetism and biocompatibility}, journal = {New Journal of Chemistry}, volume = {39}, number = {11}, year = {2015}, month = {AUG}, pages = {8513-8521}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
NicoreAgshell nanoparticles were synthesized by redox transmetallation reaction. Reduction potential match was encouraging to attempt the synthesis of the NicoreAushell system too. However, it could be achieved only after an effective surface modification on the Ni-core. Thorough characterization (UV-Vis spectroscopy, fluorescence spectroscopy, XRD, XPS, FTIR, TEM, and EDX) proved the necessity of surface modification and the success of synthesis of both types of core-shell structures. The chemical composition and topography were determined using STEM-HAADF analysis and EFTEM imaging. Fourier transform infrared (FTIR) spectroscopy confirmed the surface modification of Ni nanoparticles and the interactions involved between the ligands and metals (in the core and/or the shell) at various steps of the synthetic process. Even after the formation of the noble metal shell, the magnetic core was found to retain its superparamagnetic nature. In addition, the Au-shell protected the core from aerial oxidation and decreased toxicity as compared to pristine Ni nanoparticles as observed by MTT assay on normal cells (PBMCs).
}, issn = {1144-0546}, doi = {10.1039/c5nj01481f}, author = {Sardar, Debasmita and Neogi, S. K. and Bandyopadhyay, Sanjoy and Satpati, Biswarup and Ahir, Manisha and Adhikary, Arghya and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000363068400047, title = {Multifaceted thermodynamics of Pb-n (n=16-24) clusters: a case study}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {41}, year = {2015}, month = {OCT}, pages = {23698-23707}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Thermodynamic response of small clusters is a challenging area of exploration, both experimentally and theoretically. In this article, we study the thermodynamic behavior of small Pb clusters (size 16-24) using Born-Oppenheimer molecular dynamics. A new ground state structure is reported for Pb-20. Except for Pb-21, all clusters fragment at temperatures above T-m[bulk] and show no signs of melting. Characteristic behavior like restricted diffusion and solid solid transition is discussed in detail. Variation in the isomerization temperature of these clusters is explained using the bond length analysis. Root mean square bond length fluctuations (delta(rms)) along with distribution of atoms about center of mass of the cluster as a function of time and distance-energy (DE) plots are used to bring out the essential features of Pb cluster thermodynamics. Analysis carried out using these parameters, and their interpretation regarding state of the system, are discussed in detail. We highlight that it is not possible to define {\textquoteleft}{\textquoteleft}liquid state{\textquoteright}{\textquoteright} for these small clusters, in the conventional frame of understanding.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b05250}, author = {Susan, Anju and Kaware, Vaibhav and Joshi, Kavita} } @article { ISI:000344474900030, title = {Multifunctional polyaniline-tin oxide (PANI-SnO2) nanocomposite: synthesis, electrochemical, and field emission investigations}, journal = {Journal of Applied Polymer Science}, volume = {132}, number = {5}, year = {2015}, month = {FEB}, pages = {Article Number: 41401}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Synthesis of PANI-SnO2 nanocomposite has been performed using a simple two step chemical oxidative polymerization route. The structural, morphological and chemical properties of the as-synthesized PANI-SnO2 nanocomposite have been revealed by various characterization techniques such as SEM, TEM, XRD, FTIR, and XPS. Interestingly the as-synthesized PANI-SnO2 nanocomposite exhibits supercapacitance value of 721 F g(-1) with energy density 64 Wh kg(-1), which is noticed to be higher than that of pristine SnO2 and PANI nanostructures. Furthermore, the galvanostatic charge-discharge characteristics revealed pseudocapacitive nature of the PANI-SnO2 nanocomposite. The estimated values of charge transfer resistance and series resistance estimated from the Nyquist plot are found to be lower. Along with the supercapacitive nature, PANI-SnO2 nanocomposite showed promising field emission behavior. The threshold field, required to draw emission current density of 1 A/cm(2), is observed to be 0.90 V/m and emission current density of 1.2 mA/cm(2) has been drawn at applied field of approximate to 2.6 V/m. The emission current stability investigated at preset values of 0.02 and 0.1 mA/cm(2) is observed to be fairly stable over duration of more than 3 h. The enhanced supercapacitance values, as well as, the promising field emission characteristics are attributed to the synergic effect of SnO2 nanoparticles and PANI nanotubes. (c) 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41401.
}, keywords = {conducting polymers, Electrochemistry, nanostructured polymers, surfaces and interfaces}, issn = {0021-8995}, doi = {10.1002/app.41401}, author = {Patil, Sandip S. and Harpale, Kashmira V. and Koiry, Shankar P. and Patil, Kashinath R. and Aswal, Dinesh K. and More, Mahendra A.} } @article {42975, title = {Multifunctional silica nanoparticles for pancreatic cancer specific drug delivery and bioimaging}, journal = {Journal of Chemistry \& Applied Biochemistry}, volume = {2}, year = {2015}, month = {JUN}, abstract = {
Mesoporous silica nanoparticles (MSN) have attracted increasing interest as drug carriers due to their biocompatibility and robustness. In this analysis we explored the potential of MSN as nanotheranostic platform for pancreatic cancer specific drug delivery and bioimaging. Pancreatic cancer is the most fatal cancer and due to its high mortality and low prognosis it is imperative to develop new methods for early diagnosis and therapy of this cancer. Though traditionally organic dyes, quantum dots and fluorescent agents are used for bioimaging but here we have utilized graphene quantum dots (GQDs) for bioimaging due to their superior biocompatibility and fluorescence properties. MSN were loaded with gemcitabine; the most preferred drug for pancreatic cancer. MSN and GQDs were characterized by SEM, TEM, FT-IR etc and the efficacy of nanoformulation was determined by MTT assay.
}, author = {Nigam, Preeti and Sarkar, Dhiman} } @article { ISI:000369637800040, title = {Myroides indicus sp nov., isolated from garden soil}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {11}, year = {2015}, month = {NOV}, pages = {4008-4012}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {
A novel aerobic, non-motile, rod-shaped, catalase-and oxidase-positive bacterial strain, designated UKS3(T), was isolated from garden soil, and subjected to polyphasic taxonomic analysis. Strain UKS3(T) formed whitish, viscous colonies on nutrient agar and was Gram-staining negative. Phylogenetic analysis, based on 16S rRNA gene sequence, showed that maximum pairwise similarity occurs with representatives of the genus Myroides. The most closely related species include Myroides marinus JS-08(T) (92.7 \% sequence similarity), Myroides phaeus MY15(T) (92.7 \%), Myroides odoratus DSM 2801(T) (91.5 \%) and Myroides odoratimimus CCUG 39352(T) (91.4 \%). Strain UKS3(T) contained menaquinone-6 (MK-6) as the major respiratory quinone and iso-C-15 : 0 (40.2 \%), anteiso-C-15 : 0 (9.4 \%) and iso-C-17 : 0 3-OH (8.5 \%) as major fatty acids. Phosphatidylethanolamine, phospholipids and three aminolipids were the major polar lipids. The DNA G + C content of strain UKS3(T) was 36.8 +/- 2.0 mol\%. On the basis of phenotypic, chemotaxonomic and molecular analysis, strain UKS3(T) represents a novel species of the genus Myroides, for which the name Myroides indicus sp. nov., is proposed. The type strain is UKS3(T) (= DSM 28213(T) = NCIM 5555(T)).
}, issn = {1466-5026}, doi = {10.1099/ijsem.0.000530}, author = {Ram, Hari and Kumar, Alok and Thomas, Lebin and Dastager, Syed Gulam and Mawlankar, Rahul R. and Singh, Ved Pal} } @article { ISI:000361559700081, title = {N-(3-Aminoalkyl)proline derivatives with potent antigycation activity}, journal = {RSC Advances}, volume = {5}, number = {94}, year = {2015}, month = {SEP}, pages = {77332-77340}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The importance of amino acids in the therapy of conditions such as renal failure, neurological disorders and congenital defects has been documented. Some amino acids such as lysine and glycine have also been reported to have antiglycating activity. Herein we report the synthesis of a new series of N-(3-aminoalkyl)proline derivatives which are non-natural in nature. The compounds were unambiguously characterized by NMR, mass and IR spectroscopy. Their in vitro antiglycation activity was studied by circular dichroism and fluorescence spectrometry. The mechanism of action was also studied and found to take place by inhibition of Amadori product formation. The inhibition of AGE formation was further confirmed by western blot and LC-MS/MS analyses and the IC50 values of the potent compounds were determined. Compounds containing hydroxyl substituents at C4 were found to have superior antiglycation properties than those containing azide substituents at the same position. The compounds were additionally found to possess good anti-oxidant properties, which could lead to further reduction in AGE formation. Moreover, the title compounds were found to have low cytotoxicity in mammalian cells, another important attribute. Thus, the title compounds represent a novel promising class of antiglycating agents.
}, issn = {2046-2069}, doi = {10.1039/c5ra12148e}, author = {Chilukuri, Harsha and Kolekar, Yogesh M. and Bhosle, Govind S. and Godbole, Rashmi K. and Kazi, Rubina S. and Kulkarni, Mahesh J. and Fernandes, Moneesha} } @article { ISI:000365530700031, title = {Nanocrystalline Fe-Fe2O3 particle-deposited N-doped graphene as an activity-modulated Pt-free electrocatalyst for oxygen reduction reaction}, journal = {Nanoscale}, volume = {7}, number = {47}, year = {2015}, month = {OCT}, pages = {20117-20125}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The size-controlled growth of nanocrystalline Fe-Fe2O3 particles (2-3 nm) and their concomitant dispersion on N-doped graphene (Fe-Fe2O3/NGr) could be attained when the mutually assisted redox reaction between NGr and Fe3+ ions could be controlled within the aqueous droplets of a water-in-oil emulsion. The synergistic interaction existing between Fe-Fe2O3 and NGr helped the system to narrow down the overpotential for the oxygen reduction reaction (ORR) by bringing a significant positive shift to the reduction onset potential, which is just 15 mV higher than its Pt-counterpart. In addition, the half-wave potential (E-1/2) of Fe-Fe2O3/NGr is found to be improved by a considerable amount of 135 mV in comparison to the system formed by dispersing Fe-Fe2O3 nanoparticles on reduced graphene oxide (Fe-Fe2O3/RGO), which indicates the presence of a higher number of active sites in Fe-Fe2O3/NGr. Despite this, the ORR kinetics of Fe-Fe2O3/NGr are found to be shifted significantly to the preferred 4-electron-transfer pathway compared to NGr and Fe-Fe2O3/RGO. Consequently, the H2O2\% was found to be reduced by 78.3\% for Fe-Fe2O3/NGr (13.0\%) in comparison to Fe-Fe2O3/RGO (51.2\%) and NGr (41.0\%) at -0.30 V (vs. Hg/HgO). This difference in the yield of H2O2 formed between the systems along with the improvements observed in terms of the oxygen reduction onset and E-1/2 in the case of Fe-Fe2O3/NGr reveals the activity modulation achieved for the latter is due to the coexistence of factors such as the presence of the mixed valancies of iron nanoparticles, small size and homogeneous distribution of Fe-Fe2O3 nanoparticles and the electronic modifications induced by the doped nitrogen in NGr. A controlled interplay of these factors looks like worked favorably in the case of Fe-Fe2O3/NGr. As a realistic system level validation, Fe-Fe2O3/NGr was employed as the cathode electrode of a single cell in a solid alkaline electrolyte membrane fuel cell (AEMFC). The system could display an open circuit voltage (OCV) of 0.73 V and maximum power and current densities of 54.40 mW cm(-2) and 200 mA cm(-2), respectively, which are comparable to the performance characteristics of a similar system derived by using 40 wt\% Pt/C as the cathode electrode.
}, issn = {2040-3364}, doi = {10.1039/c5nr04929f}, author = {Dhavale, Vishal M. and Singh, Santosh K. and Nadeema, Ayasha and Gaikwad, Sachin S. and Kurungot, Sreekumar} } @article { ISI:000363163200048, title = {Nanostructured 2D MoS2 honeycomb and hierarchical 3D CdMoS4 marigold nanoflowers for hydrogen production under solar light}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {42}, year = {2015}, month = {SEP}, pages = {21233-21243}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Unique two dimensional (2D) honeycomb layered MoS2 nanostructures and hierarchical 3D marigold nanoflowers of CdMoS4 were designed using a template free and facile solvothermal method. The MoS2 structure is depicted with a sheet like morphology with lateral dimensions of 5-10 mu m and a thickness of similar to 200 nm and a honeycomb nanostructure architecture produced via the self-assembling of vertically grown thin hexagonal nanosheets with a thickness of 2-3 nm. The 3D CdMoS4 marigold nanoflower architecture comprised thin nanopetals with lateral dimensions of 1-2 mu m and a thickness of a few nm. The CdMoS4 and MoS2 structures displayed hydrogen ( H-2) production rates of 25 445 and 12 555 mu mol h(-1) g(-1), respectively. The apparent quantum yields of hydrogen production were observed to be 35.34\% and 17.18\% for CdMoS4 and MoS2, respectively. The 3D nanostructured marigold flowers of CdMoS4 and honeycomb like 2D nanostructure of MoS2 were responsible for higher photocatalytic activity due to inhibition of the charge carrier recombination. The prima facie observation of H-2 production showed that the ternary semiconductor confers enhanced photocatalytic activity for H-2 generation due to its unique structure. Such structures can be designed and implemented in other transition metal dichalcogenide based ternary materials for enhanced photocatalytic and other applications.
}, issn = {2050-7488}, doi = {10.1039/c5ta04617c}, author = {Kadam, Sunil R. and Late, Dattatray J. and Panmand, Rajendra P. and Kulkarni, Milind V. and Nikam, Latesh K. and Gosavi, Suresh W. and Park, Chan J. and Kale, Bharat B.} } @article { ISI:000349401200012, title = {New atom transfer radical polymerization initiator based on phenolphthalein for the synthesis of bis-allyloxy functionalized polystyrene macromonomers}, journal = {Polymer International}, volume = {64}, number = {3}, year = {2015}, month = {MAR}, pages = {413-420}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A new atom transfer radical polymerization (ATRP) initiator, namely 2-(1,1-bis(4-(allyloxy)phenyl)-3-oxoisoindolin-2-yl)ethyl 2-bromo-2-methylpropanoate, was synthesized starting from phenolphthalein, a commercially available and an inexpensive chemical. Well- defined bis-allyloxy functionalized polystyrene macromonomers (M-n,M-GPC 4800-11 700gmol(-1)) with controlled molecular weight and narrow molecular weight distribution (1.05-1.09) were synthesized using ATRP by varying the monomer to initiator feed ratio. The presence of allyloxy functionality on polystyrene was confirmed by Fourier transform infrared and H-1 NMR spectroscopy. A kinetic study of polymerization revealed pseudo-first-order kinetics with respect to monomer consumption. Initiator efficiency was found to be in the range 0.80-0.95. Matrix-assisted laser desorption ionization time of flight spectra showed a narrow molecular weight distribution with control over the molecular weight. The reactivity of the allyloxy groups on polystyrene was successfully demonstrated by quantitative photochemical thiol-ene click reaction with benzyl mercaptan as the model thiol reagent. Furthermore, the thiol-ene click reaction was exploited to introduce other reactive functional groups such as hydroxyl and carboxyl by reaction of ,-bis-allyloxy functionalized polystyrene with 2-mercaptoethanol and 3-mercaptopropionic acid, respectively. (c) 2014 Society of Chemical Industry
}, keywords = {atom transfer radical polymerization, bis-allyloxy functionalized polystyrene, functional initiator, phenolphthalein, thiol-ene click reaction}, issn = {0959-8103}, doi = {10.1002/pi.4804}, author = {Patil, Sachin S. and Menon, Shamal K. and Wadgaonkar, Prakash P.} } @article { ISI:000361532500003, title = {New butenolide cinnamate and other biological active chemical constituents from Polygonum glabrum}, journal = {Natural Product Research}, volume = {29}, number = {22}, year = {2015}, month = {NOV}, pages = {2080-2086}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Phytochemical investigation of the methanol extract of the aerial parts of Polygonum glabrum afforded one new natural product (-)-2-methoxy-2-butenolide-3-cinnamate (1) along with six known compounds, -hydroxyfriedalanol (2), 3-hydroxy-5-methoxystilbene (3), (-) pinocembrin (4), sitosterol-(6-O-palmitoyl)-3-O{\textendash}d-glucopyranoside (5), (-) pinocembrin-5-methyl ether (6) and sitosterol-3-O{\textendash}d-glucopyranoside (7). Compound 1 showed promising in vitro anti-HIV-1 activity against primary isolates HIV-1(UG070) (X4, subtype D) and HIV-1(VB59) (R5, subtype C) assayed using TZM-bl cell line with IC50 in the range of 15.68-22.43g/mL. The extract showed TI in the range of 19.19-27.37 with IC50 in the range of 10.90-15.55g/mL. Compounds 1, 3 and 4 exhibited in vitro anti-mycobacterium activity against Mycobacterium tuberculosis H37Ra with IC50 values of 1.43, 3.33 and 1.11g/mL in dormant phase and 2.27, 3.33 and 1.21g/mL in active phase, respectively. Compound 4 was found to be the most active antiproliferative with IC50 values of 1.88-11.00g/mL against THP-1, A549, Panc-1, HeLa and MCF7 cell lines.
}, keywords = {anti-HIV-1, anti-mycobacterium, antiproliferative, phytochemicals, Polygonaceae, Polygonum glabrum}, issn = {1478-6419}, doi = {10.1080/14786419.2015.1004674}, author = {Said, Madhukar S. and Chinchansure, Ashish A. and Nawale, Laxman and Durge, Ankita and Wadhwani, Ashish and Kulkarni, Smita S. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000354326000001, title = {New class of bacterial quorum sensing antagonists: glycomonoterpenols synthesized using linalool and alpha terpineol}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {31}, number = {6}, year = {2015}, month = {JUN}, pages = {841-849}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
With increasing burden of antibiotic resistant microorganism search for newer drug targets and potent drug molecules is a never ending scenario. Quorum sensing (QS), the phenomenon of bacterial cross-talk, is one such target that has captured the attention of many and has been touted as the future of new age antimicrobials. Quorum sensing has the potential to regulate a plethora of bacterial virulence phenotypes and search of molecules with powerful quorum sensing inhibitory (QSI) capacity are underway. Monoterpene alcohols like linalool and alpha terpineol have been shown to possess antimicrobial and anti-biofilm activity. However in this article we attempt to bring forth a new class of compounds, glycomonoterpenols, derived from monoterpenoids alcohols. These glycomonoterpenols have been synthesized using Candida bombicola ATCC 22214 by feeding the cells with linalool and alpha terpineol respectively as substrates in 10 \% glucose, production medium. The advantage of these molecules over their parent compound is their additional surfactant like property, increased solubility and enhanced QSI potential. A variety of gram-negative bacteria capable of elaborating quorum sensing mediated phenotypes have been selected and both these glycoterpenoid derivatives have been shown to possess strong anti-QS activity.
}, keywords = {Alpha-terpineol, Glycomonoterpenols, Linalool, Pseudomonas aeruginosa, Quorum sensing inhibition}, issn = {0959-3993}, doi = {10.1007/s11274-015-1822-5}, author = {Mukherji, Ruchira and Prabhune, Asmita} } @article { ISI:000360658000003, title = {New imaging reagents for lipid dense regions in live cells and the nucleus in fixed MCF-7 cells}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {36}, year = {2015}, month = {AUG}, pages = {7177-7185}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Two new uracil (U) and 5-flurouracil (5-FU) labeled ruthenium(II)-polypyridyl based cellular imaging reagents are reported. Confocal laser scanning microscopic images with live and paraformaldehyde (PFA) fixed MCF-7 cells are examined using these two low-cytotoxic reagents. Experimental results show that these two complexes, appropriately functionalized with U (1) and 5-FU (2), have specific affinity for the lipid dense regions like the endoplasmic reticulum, cell membrane, and cytoplasmic vacuoles in live MCF-7 cells, and dye internalization in these regions happened following an endocytosis pathway. Interestingly, these two complexes are found to be localized in the nucleus of the PFA fixed cells. For fixed cells, presumably the lipid layer disruption helped in the explicit localization of the complexes 1 and 2 in the cell nucleus through specific interaction with cellular DNA. Poor and non-specific internalization of an analogous model complex 3, without having a U or 5-FU moiety, reveals the definite influence of U or 5-FU as well as the role of lipophilicity of the respective complex 1 and 2 in the cellular internalization process. Apart from these, a large Stokes shift (similar to 160 nm) and an appreciably long lived (MLCT)-M-3 excited state (similar to 320 ns) in aq. buffer medium (pH 7.4) are other key features for complexes 1 and 2. Unlike the common nuclear DNA staining reagents like DAPI, these low-cytotoxic reagents are found to be highly stable towards photo-bleaching upon irradiation with 455 nm at the MLCT band for these complexes.
}, issn = {2050-750X}, doi = {10.1039/c5tb01309g}, author = {Ramu, Vadde and Ali, Firoj and Taye, Nandaraj and Garai, Bikash and Alam, Aftab and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000367232900032, title = {New insights into in vitro amyloidogenic properties of human serum albumin suggest considerations for therapeutic precautions}, journal = {Febs Letters}, volume = {589}, number = {24, B}, year = {2015}, month = {DEC}, pages = {4033-4038}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Amyloid aggregates display striking features of detergent stability and self-seeding. Human serum albumin (HSA), a preferred drug-carrier molecule, can also aggregate in vitro. So far, key amyloid properties of stability against ionic detergents and self-seeding, are unclear for HSA aggregates. Precautions against amyloid contamination would be required if HSA aggregates were self-seeding. Here, we show that HSA aggregates display detergent sarkosyl stability and have self-seeding potential. HSA dimer is preferable for clinical applications due to its longer retention in circulation and lesser oedema owing to its larger molecular size. Here, HSA was homodimerized via free cysteine-34, without any potentially immunogenic cross-linkers that are usually pre-requisite for homodimerization. Alike the monomer, HSA dimers also aggregated as amyloid, necessitating precautions while using for therapeutics. (C) 2015 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.
}, keywords = {Drug carrier, HSA amyloid, Plasma expander, Sarkosyl, Self-seeding}, issn = {0014-5793}, doi = {10.1016/j.febslet.2015.11.004}, author = {Sharma, Neetu and Sivalingam, Vishwanath and Maurya, Sonalika and Prasad, Archana and Khandelwal, Puneet and Yadav, Subhash Chandra and Patel, Basant K.} } @article { ISI:000362603800044, title = {New poly(ether urethane)s based on lignin derived aromatic chemicals via A-B monomer approach: synthesis and characterization}, journal = {European Polymer Journal}, volume = {71}, year = {2015}, month = {OCT}, pages = {547-557}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
{omega-Hydroxyalkyleneoxy benzoyl azides were synthesized starting from lignin-derived phenolic acids (vanillic acid and syringic acid) and omega-haloalkanols (6-chlorohexanol and 11-bromoundecanol). These bio-derived A-B monomers were self-polycondensed to afford poly(ether urethane)s which exhibited reasonably high molecular weights (eta(inh) = 0.41-0.69 dL g(-1), and M-n
}, keywords = {A-B type monomer, Poly(ether urethane)s, Renewable resources, Self-polycondensation}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2015.08.021}, author = {Kuhire, Sachin S. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article { ISI:000349018100016, title = {New scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: Theory, implementation, and examples}, journal = {Journal of Chemical Physics}, volume = {142}, number = {4}, year = {2015}, month = {JAN}, pages = {Article No. 044113}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
We propose a new elegant strategy to implement third order triples correction in the light of many-body perturbation theory to the Fock space multi-reference coupled cluster method for the ionization problem. The computational scaling as well as the storage requirement is of key concerns in any many-body calculations. Our proposed approach scales as N-6 does not require the storage of triples amplitudes and gives superior agreement over all the previous attempts made. This approach is capable of calculating multiple roots in a single calculation in contrast to the inclusion of perturbative triples in the equation of motion variant of the coupled cluster theory, where each root needs to be computed in a state-specific way and requires both the left and right state vectors together. The performance of the newly implemented scheme is tested by applying to methylene, boron nitride (B2N) anion, nitrogen, water, carbon monoxide, acetylene, formaldehyde, and thymine monomer, a DNA base. (C) 2015 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4906233}, author = {Dutta, Achintya Kumar and Vaval, Nayana and Pal, Sourav} } @article { ISI:000349325400040, title = {New turn on Pd2+-specific fluorescence probe and its use as an imaging reagent for cellular uptake in Hct116 cells}, journal = {Chemical Communications}, volume = {51}, number = {17}, year = {2015}, month = {JAN}, pages = {3649-3652}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new coumarin-rhodamine conjugate is used as a specific probe for Pd2+ ions and this could even delineate Pd(II) from Pd(0) or Pd(IV) in aqueous buffer medium (pH similar to 7). Laser confocal microscopic studies reveal that efficient cellular internalization of this reagent helps in imaging the cellular uptake of Pd2+ as low as 0.1 ppm in Hct 116 cells. This reagent could even be used for estimation of Pd2+ in human urine samples.
}, issn = {1359-7345}, doi = {10.1039/c4cc10171e}, author = {Reddy, Upendar G. and Ali, Firoj and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000367722500058, title = {N-Heterocyclic carbene catalyzed oxidative coupling of alkenes/alpha-bromoacetophenones with aldehydes: a facile entry to alpha,beta-epoxy ketones}, journal = {Angewandte Chemie-International Edition}, volume = {54}, number = {47}, year = {2015}, month = {NOV}, pages = {14150-14153}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
{A novel, N-heterocyclic carbene (NHC) catalyzed direct oxidative coupling of styrenes with aldehydes has been described for the synthesis of alpha,beta-epoxy ketones in good yields. This unprecedented regioselective oxidative coupling employs NBS/DBU/DMSO (DBU = 1,8-diazabicyclo [5.4. 0] undec-7-ene
}, keywords = {aldehydes, epoxidation, N-heterocyclic carbenes, Oxidation, synthetic methods}, issn = {1433-7851}, doi = {10.1002/anie.201507363}, author = {Reddi, Rambabu N. and Prasad, Pragati K. and Sudalai, Arumugam} } @article {42434, title = {N-Heterocyclic carbene-catalyzed diastereoselective synthesis of β-lactone-fused cyclopentanes using homoenolate annulation reaction}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {MAY}, pages = {9559-9562}, abstract = {
NHC-catalyzed annulation of enals with 2-enoylpyridines or 2-enoylpyridine\ N-oxides leading to the diastereoselective synthesis of β-lactone-fused cyclopentanes is reported. The reaction proceeds\ via\ the generation of homoenolate equivalent intermediates and tolerates a broad range of functional groups.
}, doi = {10.1039/C5CC02960K}, author = {Mukherjee, Subrata and Mondal, Santigopal and Patra, Atanu and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {45937, title = {Nioella nitratireducens gen. nov., sp nov., a novel member of the family Rhodobacteraceae isolated from Azorean Island}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {107}, year = {2015}, month = {FEB}, pages = {589-595}, type = {Article}, abstract = {
A novel Gram-negative, non-spore forming, rod-shaped aerobic bacterium, designated SSW136(T), was isolated from a surface seawater sample collected at Espalamaca (in Faial Island), Azores. Growth was found to occur from 10 to 37 A degrees C, pH 6.0-8.0, and with 2-11 \% of NaCl. 16S rRNA gene sequence indicated that the strain SSW136(T) belongs to the family Rhodobacteraceae. Strain SSW136(T) exhibited 96.3, 95.9, 95.7 and 95.5 sequence similarity to the type strains Oceanicola litoreus M-M22(T), Roseovarius aestuarii SMK-122(T), Marivita geojedonensis DPG-138(T), and Pseudoruegeria aquimaris SW-255(T) respectively. Neighbour-joining and maximum-parsimony phylogenetic trees based on 16S rRNA gene sequences revealed that strain SSW136(T) was affiliated to the family Rhodobacteraceae and formed a separate branch. The G+C content was 63.5 mol\%. The major respiratory quinone was found to be Q-10. The polar lipids of strain SSW136(T) consisted of phosphatidylcholine, phosphatidylethanolamine, phosphatidylglycerol, two unidentified aminolipids and three unidentified phospholipids. The major fatty acids were C-18:1 omega 7c (46.5 \%), Cyclo-C-19:0 omega 8c (16.0 \%) and C-16:0 (12.8 \%). On the basis of the morphological, genotypic, chemotaxonomic characteristics and low DNA-DNA relatedness, strain SSW136(T) is proposed to represent a novel genus and novel species, Nioella nitratireducens gen. nov., sp. nov., in the family Rhodobacteraceae. The type strain is SSW136(T) (=KCTC 32417(T) = NCIM 5499(T)).
}, keywords = {Espalamaca, Nioella nitratireducens, Novel genus and species, Polyphasic taxonomy, Seawater}, issn = {0003-6072}, doi = {10.1007/s10482-014-0355-5}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Yoon, Jung-Hoon and Dastager, Syed Gulam and Liu, Qing and Khieu, Thi-Nhan and Son, Chu Ky and Li, Wen-Jun and Colaco, Ana} } @article { ISI:000361501700023, title = {NiS1.97: a new efficient water oxidation catalyst for photoelectrochemical hydrogen generation}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {36}, year = {2015}, month = {SEP}, pages = {20053-20060}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
NiS1.97, a sulfur-deficient dichalcogenide, in nanoscale form, is shown to be a unique and efficient photoelectrochemical (PEC) catalyst for H-2 generation by water splitting. Phase pure NiS1.97 nanomaterial is obtained by converting nickel oxide into sulfide by controlled sulfurization method, which is otherwise difficult to establish. The defect states (sulfur vacancies) in this material increase the carrier density and in turn lead to favorable band line-up with respect to redox potential of water, rendering it to be an effective photoelectrochemical catalyst. The material exhibits a remarkable PEC performance of 1.25 mA/cm(2) vs NHE at 0.68 V in neutral pH, which is almost 1000 times superior as compared with that of the stoichiometric phase of NiS2. The latter is well-known to be a cocatalyst but not as a primary PEC catalyst.
}, keywords = {dichlacogenide, Faradaic efficiency, Hydrogen generation, NiS1.97, nonstoichiometric, photoelectrochemical catalyst, sulfurization}, issn = {1944-8244}, doi = {10.1021/acsami.5b05077}, author = {Bhosale, Reshma and Kelkar, Sarika A. and Parte, Golu and Fernandes, Rohan and Kothari, Dushyant and Ogale, Satishchandra} } @article {45881, title = {Nitrogen-induced surface area and conductivity modulation of carbon nanohorn and its function as an efficient metal-free oxygen reduction electrocatalyst for anion-exchange membrane fuel cells}, journal = {SMALL}, volume = {11}, year = {2015}, month = {JAN }, pages = {352-360}, type = {Article}, abstract = {
Nitrogen-doped carbon morphologies have been proven to be better alternatives to Pt in polymer-electrolyte membrane (PEM) fuel cells. However, efficient modulation of the active sites by the simultaneous escalation of the porosity and nitrogen doping, without affecting the intrinsic electrical conductivity, still remains to be solved. Here, a simple strategy is reported to solve this issue by treating single-walled carbon nanohorn (SWCNH) with urea at 800 degrees C. The resulting nitrogen-doped carbon nanohorn shows a high surface area of 1836 m(2) g(-1) along with an increased electron conductivity, which are the pre-requisites of an electro catalyst. The nitrogen-doped nanohorn annealed at 800 degrees C (N-800) also shows a high oxygen reduction activity (ORR). Because of the high weight percentage of pyridinic nitrogen coordination in N-800, the present catalyst shows a clear 4-electron reduction pathway at only 50 mV overpotential and 16 mV negative shift in the half-wave potential for ORR compared to Pt/C along with a high fuel selectivity and electrochemical stability. More importantly, a membrane electrode assembly (MEA) based on N-800 provides a maximum power density of 30 mW cm(-2) under anion-exchange membrane fuel cell (AEMFC) testing conditions. Thus, with its remarkable set of physical and electrochemical properties, this material has the potential to perform as an efficient Pt-free electrode for AEMFCs.
}, issn = {1613-6810}, doi = {10.1002/smll.201303892}, author = {Unni, SreeKuttan M. and Bhange, Siddheshwar N. and Illathvalappil, Rajith and Mutneja, Nisha and Patil, Kasinath R. and Kurungot, Sreekumar} } @article { ISI:000346408800001, title = {Nonconventional chemical inhibitors of microRNA: therapeutic scope}, journal = {Chemical Communications}, volume = {51}, number = {5}, year = {2015}, month = {OCT}, pages = {820-831}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
MicroRNAs (miRNAs) are a class of genomically encoded small RNA molecules (similar to 22nts in length), which regulate gene expression post transcriptionally. The term microRNA or miRNA was coined in 2001, and research in the past decade has shed light on their widespread occurrence, evolutionary conservation and tissue specific functions. It is estimated that they modulate the gene expression of approximately 60\% of the mammalian genes by regulating the levels of target mRNAs to which they can bind on the basis of sequence complementarities. miRNAs are produced in a well coordinated series of steps from being transcribed in the nucleus to exerting their function in the cytoplasm. miRNAs are now implicated in diverse biological phenomena ranging from development to stress response which makes miRNAs one of the central regulatory molecules which modulate information flow along the central dogma of gene expression. More importantly, like any regulatory molecule, deregulation of miRNAs is causally associated with several diseases (mainly cancer) and is directly involved in a variety of pathophysiologies owing to their aberrant expression. Thus, modulation of miRNA levels is of prime therapeutic importance. Conventional methods of miRNA knockdown using chemically modified antisense-oligonucleotides have been explored extensively but face the challenges of modes of delivery, biostability and biodistribution. This calls for the development of more alternative and non-conventional methods to target miRNA. Small molecules targeting RNA chemical and structural space provide one such timely opportunity. In this article we first provide a brief overview of miRNA biogenesis and its disease associations. We then summarize the major developments in conventional oligonucleotide based approaches to miRNA knockdown and its status. We then focus on the more non-conventional methods like oligonucleotide enzymes and small molecules and provide an outlook on the future of such methods.
}, issn = {1359-7345}, doi = {10.1039/c4cc04514a}, author = {Jayaraj, Gopal Gunanathan and Nahar, Smita and Maiti, Souvik} } @article { ISI:000360409800002, title = {Nonomuraea indica sp nov., novel actinomycetes isolated from lime-stone open pit mine, India}, journal = {Journal of Antibiotics}, volume = {68}, number = {8}, year = {2015}, month = {AUG}, pages = {491-495}, publisher = {JAPAN ANTIBIOTICS RESEARCH ASSOC}, address = {2 20 8 KAMIOSAKI SHINAGAWA KU, TOKYO, 141, JAPAN}, abstract = {
A Gram-positive, aerobic, nonmotile actinomycete strain designated DRQ-2(T) was isolated from the soil sample collected from limestone open pit mine from the Gulbarga region, Karnataka province, India. Strain DRQ-2(T) was identified as a member of the genus Nonomuraea by a polyphasic approach. Strain DRQ-2(T) could be differentiated from other members of the genus Nonomuraea on the basis of physiology and 16S rRNA gene sequence analysis. The 16S rRNA gene sequence similarity of strain DRQ-2(T) showed highest sequence similarity to Nonomuraea muscovyensis DSM 45913(T) (99.1\%), N. salmonea DSM 43678(T) (98.2\%) and N. maheshkhaliensis JCM 13929(T) with 98.0\%, respectively. Chemotaxonomic properties showing predominant menaquinones of MK-9 (H-4), MK-9(H-2) and MK-9(H-6), major polar lipids comprised diphosphatidylglycerol, phosphatidylmono methyl ethanolamine (PME), phosphatidylethanolamine (PE), hydroxy-PME (OH-PME), hydroxy PE (OH-PEE), phosphatidylglycerol (PG), ninhydrin-positive phosphoglycolipid and unknown phospholipid, fatty acids with major amounts of i-C-16:0, ai-C-15:0 and ai-C-17:0 supported allocation of the strain to the genus Nonomuraea. Results of DNA-DNA hybridization and physiological tests allowed genotypic and phenotypic differentiation of strain DRQ-2(T) from closely related species. The genomic DNA G+C content of the organism was 72.5 mol\%. On the basis of phenotypic, chemotypic and molecular characteristics, strain DRQ-2(T) represents a novel species of the genus Nonomuraea, for which the name N. indica sp. nov. is proposed, with type strain DRQ-2(T) (= NCIM 5480(T) = CCTCC AA 209050(T)).
}, issn = {0021-8820}, doi = {10.1038/ja.2015.24}, author = {Quadri, Syed Raziuddin and Tian, Xin-Peng and Zhang, Jing and Li, Jie and Nie, Guo-Xing and Tang, Shu-Kun and Al Ruwaili, Jamal and Agsar, Dayanand and Li, Wen-Jun and Dastager, Syed Gulam} } @article { ISI:000365203000041, title = {Non-templated ambient nanoperforation of graphene: a novel scalable process and its exploitation for energy and environmental applications}, journal = {Nanoscale}, volume = {7}, number = {46}, year = {2015}, month = {OCT}, pages = {19705-19713}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Nano-perforation of 2D graphene sheets is a recent and strategically significant means to exploit such materials in modern applications such as energy production and storage. However, current options for the synthesis of holey graphene (hG) through nano-perforation of graphene involve industrially undesirable steps viz., usage of expensive/noble metal or silica nanoparticle templates and/or hazardous chemicals. This severely hampers its scope for large scale production and further exploitation. Herein, we report for the first time a scalable non-templated route to produce hG at ambient conditions. Nano-perforation is achieved with tunable pore size via the simple few layer co-assembly of silicate-surfactant admicelles along the surface of graphene oxide. A gentle alkali treatment and a reduction at optimized conditions readily yielded holey graphene with a remarkable capacitance (similar to 250 F g(-1)) and interesting adsorption abilities for pollutants. Density functional theory based computational studies reveal interesting insights on the template free nano-perforation at a molecular level. This simple rapid process not only excludes the need for expensive templates and harmful chemicals to yield hG at attractively ambient, chemically placid and industrially safer conditions, but also creates no hurdles in terms of scaling up.
}, issn = {2040-3364}, doi = {10.1039/c5nr05715a}, author = {Jhajharia, Suman Kumari and Selvaraj, Kaliaperumal} } @article { ISI:000367421500014, title = {Novel 2,6-diformyl-4-methyl phenol based chemosensor for Zn-II ion by ratiometric displacement of Cd-II ion and its application for cell imaging on human melanoma cancer cells}, journal = {Journal of the Indian Chemical Society}, volume = {92}, number = {11}, year = {2015}, month = {NOV}, pages = {1729-1745}, publisher = {SCIENTIFIC PUBL-INDIA}, address = {5-A, NEW PALI RD, PO BOX 91, NEAR HOTEL TAJ HARI MAHAL, JODHPUR, 342 003, INDIA}, abstract = {
A new chelating ligand [4-methyl-2,6-bis-(pyridin-2-yl-hydrazonomethyl)-phenol] (1) was prepared by the condensation of 2-hydrazinylpyridine with 2,6-diformyl-p-cresol. Compound 1 exhibits weak fluorescence due to intramolecular photoinduced electron transfer (PET). The sensor (1) demonstrates Zn2+-specific emission enhancement due to {\textquoteleft}{\textquoteleft}PET off{\textquoteright}{\textquoteright} process through a 1 : 1 binding mode with the metal ion. The fluorescence quantum yield of the chemosensor 1 is only 0.020, and it increases more than 14-fold (0.280) in the presence of one equivalent of the zinc ion. Interestingly, the introduction of other metal ions causes the fluorescence intensity to remain either unchanged or weakened except for Cd2+. Ratiometric displacement of Cd2+ ion from the complex by Zn2+ ion supports the formation of more stable sensor-Zn2+ complex over the sensor-Cd2+ complex. The experimental findings have been correlated with theoretical results using B3LYP functional and 6-31G(d,p), LANL2DZ basis set for Cd2+ (2) and Zn2+ (3) complex, respectively, by Density Functional Theory (DFT) method. Moreover, the ability of probe 1 to sense Zn2+ within human melanoma cancer cells has been explored, and the Zn2+-probing process in living cells was reversible. [Mn-2(PHMP)(2)](ClO4)(2) (4) and [Ni-2(PHMP)(H2O)(5)](NO3)(3) (5) have been also synthesized and characterized crystallographically and spectroscopically to understand the ligating behavior of the ligand PHMP.
}, keywords = {Cd-II ion, Chemosensor, Density functional theory, human melanoma cancer cells, photoinduced electron transfer, Zn-II ion}, issn = {0019-4522}, author = {Mitra, Debarshan and Venkatathari, N. and Sabharwal, S. C. and Godbole, S. V. and Tyagi, A. K. and Das, Sangbrita} } @article { ISI:000353205000033, title = {Novel hybrid nocodazole analogues as tubulin polymerization inhibitors and their antiproliferative activity}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {25}, number = {9}, year = {2015}, month = {MAY}, pages = {1982-1985}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We describe the design, synthesis and SAR profiling of a series of novel combretastatin-nocodazole conjugates as potential anticancer agents. The thiophene ring in the nocodazole moiety was replaced by a substituted phenyl ring from the combretastatin moiety to design novel hybrid analogues. The hydroxyl group at the ortho position in compounds 2, 3 and 4 was used as the conformationally locking tool by anticipated six-membered hydrogen bonding. The bioactivity profiles of all compounds as tubulin polymerization inhibitors and as antiproliferative agents against the A-549 human lung cancer cell line were investigated Compounds 1 and 4 showed mu M IC50 values in both assays. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Anticancer, Colchicine, Nocodazole, Tubulin binding}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2015.03.019}, author = {Kale, Sangram S. and Jedhe, Ganesh S. and Meshram, Sachin N. and Santra, Manas K. and Hamel, Ernest and Sanjayan, Gangadhar J.} } @article { ISI:000362436800028, title = {Novel one-pot multi-component synthesis of 3,3 {\textquoteleft}-disubstituted oxindole and spirooxindole scaffolds via Sn-catalyzed C(sp(3))-H functionalization of azaarenes by sequential Knoevenagel-Michael-cyclization reaction}, journal = {RSC Advances}, volume = {5}, number = {99}, year = {2015}, month = {SEP}, pages = {81103-81107}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Sn-catalyzed C(sp(3))-H bond functionalization of 2-methyl azaarenes/2-(azaaryl)methanes has been achieved for the first time in a one-pot multi-component reaction with isatin and active methylene compounds via tandem sequential Knoevenagel-Michael-intramolecular C-N cyclization. This strategy provides new cost-effective access to potent and biologically/medicinally important spirooxindoles/3,3{\textquoteright}-disubstituted 2-oxindoles in good to excellent yields.
}, issn = {2046-2069}, doi = {10.1039/c5ra16334j}, author = {Chavan, Santosh S. and Pathan, Mohsinkhan Y. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Mulla, Shafeek Abdul Rashid} } @article {43056, title = {Nucleophilic fluorination using imidazolium based ionic liquid bearing tert-alcohol moiety}, journal = {New Journal of Chemistry}, volume = {39}, year = {2015}, month = {MAR}, pages = {4368-4374}, doi = {10.1039/C5NJ00481K}, author = {Shinde, Sandip S. and Patil, Sunil N. and Ghatge, Amruta and Kumar, Pradeep} } @article { ISI:000361834900002, title = {One step synthesis of ethyl levulinate biofuel by ethanolysis of renewable furfuryl alcohol over hierarchical zeolite catalyst}, journal = {RSC Advances}, volume = {5}, number = {97}, year = {2015}, month = {SEP}, pages = {79224-79231}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Ethanolysis of renewable furfuryl alcohol (FAL) to ethyl levulinate (EL) biofuel over various zeolites viz. H-ZSM-5 (microporous, medium pore), Hierarchical-HZ-5 (combination of micro-and meso pore), H-Beta (microporous, large pore) and Ultra Stable Y (USY, microporous, large pore) was studied in detail. To the best of our knowledge, probably for the first time, Hierarchical-HZ-5 synthesized by desilication post-treatment has been employed as a heterogeneous catalyst for ethanolysis of FAL. The synthesized catalysts were characterized by powder X-ray diffraction (PXRD), temperature programmed NH3 desorption (TPAD), Energy dispersive X-ray analysis (EDAX), etc. Response surface methodology (RSM) with Box-Behnken experimental design (BBD) was used to investigate the influence of three crucial process variables of ethanolysis such as ethanol to FAL molar ratio, percent catalyst loading and reaction temperature on EL yield. The optimization tool of design expert software was employed to obtain the optimum reaction parameters for FAL ethanolysis over Hierarchical-HZ-5 catalyst. Three intermediates of FAL ethanolysis reaction such as, ethoxymethylfuran (EMF), 4,5,5-triethoxypentan-2-one and diethyl ether (DEE) have been identified and quantified from the product mixture with the aid of Gas Chromatography-Mass Spectroscopy (GC-MS). Hierarchical-HZ-5 was found to be a potential catalyst for ethanolysis of FAL with 73\% EL yield and 26\% EMF yield at optimized process parameters.
}, issn = {2046-2069}, doi = {10.1039/c5ra13520f}, author = {Nandiwale, Kakasaheb Y. and Pande, Ashwini M. and Bokade, Vijay V.} } @article { ISI:000356021900003, title = {One-dimensional water cages with repeat units of (H2O)(24) resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes}, journal = {Crystengcomm}, volume = {17}, number = {24}, year = {2015}, month = {MAY}, pages = {4439-4443}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A 3D-coordination polymer was shown to trap one-dimensional polyhedral water cages consisting of repeat units of (H2O)(24), the geometry of which resembles the exotic organic molecule pagodane. Further, this material exhibited proton conduction ability and tunable luminescence emission by adsorption of anionic dyes such as the fluorescein dianion.
}, issn = {1466-8033}, doi = {10.1039/c5ce00969c}, author = {Maity, Kartik and Kundu, Tanay and Banerjee, Rahul and Biradha, Kumar} } @article { ISI:000350222400046, title = {One-pot highly enantio- and diastereoselective synthesis of anti,anti vinylic 3-amino-1,2 diols via proline catalyzed sequential alpha-amination/benzoyloxyallylation of aldehydes}, journal = {RSC Advances}, volume = {5}, number = {28}, year = {2015}, month = {FEB}, pages = {21803-21805}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The first direct asymmetric synthesis of anti, anti vinylic 3-amino-1,2-diols from aldehydes is described via a one-pot sequential L-proline catalyzed alpha-amination/benzoyloxyallylation protocol. The reaction proceeds with exceptionally high diastereoselectivity (\>99\%) as can be explained based on the Felkin-Ahn transition state model. Its effectiveness is proven unambiguously by demonstrating a short asymmetric synthesis of D-ribo-phytosphingosine tetraacetate (93\% ee).
}, issn = {2046-2069}, doi = {10.1039/c5ra02830b}, author = {Ahuja, Brij Bhushan and Sudalai, Arumugam} } @article { ISI:000347229500001, title = {One-pot quadruple/triple reaction sequence: a useful tool for the synthesis of natural products}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {4}, year = {2015}, month = {OCT}, pages = {970-973}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Multiple reactions in one pot has always been a useful technique for synthetic organic chemists, as it can minimizes solvent usage, time and the number of purification steps when compared to individual multi-step syntheses. In line with this, here in this perspective we discuss a one-pot quadruple/triple reaction sequence comprising an enyne ring-closing metathesis/cross-metathesis/Diels-Alder/aromatization for the synthesis of natural products setting.
}, issn = {1477-0520}, doi = {10.1039/c4ob02143f}, author = {Kashinath, K. and Reddy, D. Srinivasa} } @article { ISI:000355702900086, title = {One-pot synthesis of 2-thenoyltrifluoroacetone surface functionalised SrF2:Eu3+ nanoparticles: trace level detection of water}, journal = {RSC Advances}, volume = {5}, number = {58}, year = {2015}, month = {MAY}, pages = {47131-47139}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This work reports the one pot synthesis of 2-thenoyltrifluoroacetone (TTA) surface functionalised SrF2:Eu3+ nanoparticles. The nanoparticles were characterised by X-ray diffraction (XRD), infra-red (IR), UV-absorption, transmission electron microscopy (TEM), and photoluminescence studies. Sensitization of Eu3+ ion by TTA in SrF2 nanoparticle matrix gives an enhanced luminescence in dry aprotic solvents like tetrahydrofuran (THF), acetonitrile (AN), dichloromethane (DCM) etc. We studied the effect of trace quantity of water on luminescence of the particles in THF solvent. Even a trace level of water content in the solvent is able to quench the luminescence significantly and quenching enhances with addition of more and more water. This approach of luminescence quenching strategy of detecting a minute trace level of water molecules has a potential application in the estimation of water in various dry organic solvents like THF.
}, issn = {2046-2069}, doi = {10.1039/c5ra08566g}, author = {Ghosh, Debasish and Luwang, Meitram Niraj} } @proceedings {42926, title = {One-pot thermal evaporation synthesis of CdS-RGO hetrostructure and its field emission study}, year = {2015}, month = {JUL}, pages = {82-83}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {Guangzhou, Peoples R China}, abstract = {
CdS-RGO heterostructure was synthesized by thermal evaporation method. The as-synthesized CdS-RGO heterostructure was characterized using X-ray Diffraction, SEM, and EADX, before field emission (FE) studies. The FE characteristics of a planar emitter made up of as-synthesized CdS-RGO heterostructures were measured at the base pressure 1x10(-8) mbar. The synthesized CdS-RGO heterostructure emitter is found to deliver a current density similar to 70 mu A/cm(2) at an applied electric field of similar to 4.7 V/mu m. Moreover, the nanocomposite shows excellent emission stability without significant current degradation making CdS-RGO heterostructure as a promising electron source for practical applications in various vacuum nano-microelectronic devices.
}, author = {Bansode, Sanjeewani R. and Khare, Ruchita T. and More, Mahendra A. and Late, Dattatray J.} } @article { ISI:000359279100022, title = {OpenFOAM computational fluid dynamic simulations of single-phase flows in an advanced-flow reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {30}, year = {2015}, month = {AUG}, pages = {7543-7553}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Computational fluid dynamic (CFD) simulations are carried out for single-Phase flow in an, advanced-flow reactor (AFR) using the open source software OpenFOAM. Excellent agreement of Simulations with experimental pressure drop and residence time distribution (RTD) is obtained. Streamlines, stagnant zones, Velocity profiles, and pressure fields are,obtained at different flow rates ranging from 5 to 100 mL/min. A change in the flow behavior with the presence of recirculation zones is observed with a 40 mL/min flow rate. The extent of the recirculation zones increases with increasing flow rate from 40 to 60 mL/min and is limited further by the presence of a second cylindrical post inside the heart cell, remaining almost constant in the flow rate range of 60-100 mL/min. The RTD is also determined for all flow rates, and a. comparison between different reactor designs (two-post, single-post, and low-flow-reactor-like single-post) is presented. The APR Shows a plug-flow behavior with a small degree of dispersion, which broadens the RTD. Symmetric RTD curves are obtained for the single-post designs, whereas the Gen 1 APR design experiences asymmetry in the RTD at flow rates in the range between 20 and 60 mL/min.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b00232}, author = {Nieves-Remacha, Maria Jose and Kukarni, Amok A. and Jensen, Klavs F.} } @conference {45948, title = {Optimisation of parameters affecting the performance of single compartment CEDI unit}, booktitle = {1ST International Conference on Computing Communication Control and Automation ICCUBEA 2015 }, year = {2015}, month = {MAR}, publisher = {Savitribai Phule Pune University; Indian Society for Technical Education; Quality Circle Forum of India; Pimpri Chinchwad College of Engineering; IEEE Pune Section}, organization = {Savitribai Phule Pune University; Indian Society for Technical Education; Quality Circle Forum of India; Pimpri Chinchwad College of Engineering; IEEE Pune Section}, address = {345 E 47TH ST, NEW YORK, NY 10017 USA}, abstract = {
The present work describes the production of the ultrapure water using Continuous Electro-deionization (CEDI) method. TheCEDI unit consist of ion exchange membranes, Mixed Bed-12 (MB-12) ion exchange resin and electrodes to remove ion impurities from feed water. The product water from the RO unit is supplied to the CEDI unit. The Quality of the ultra-pure water is determined by the amount of ions present in the water. Higher quality of Ultra-pure water is obtained when the maximum number of ions is transferred through the membranes. The Parameters affecting the performance of the CEDI unit are identified and optimized for maximum ions exchange. Inorder to reduce the number of experimentsTaguchi method was used for optimisation of operating parameters. An orthogonal L array (three factor and three level) was employed to evaluate the effect of feed concentration (35,40and 45 ppm), Flow rate (8, 9 and 10 LPH) and voltage (22, 23, 24 volts). Thus it was observed that increasing the applied voltage anddecreasing the waterflow rateincreases the number of ions transfers through the membrane. However, decreasing water flow rate has certain limits as it decreases the production capacity of the unit. Also it is observed that decreasing the ions in the feed water decreases the overall transfer of ions.
}, keywords = {Continuous Electro-deionization, Ion Exchange membranes, Optimisation, Taguchi method, Ultrapure Water}, isbn = {978-1-4799-6892-3}, doi = {10.1109/ICCUBEA.2015.101}, author = {Thorat, Prathamesh P. and Desale, G. R. and Gajjal, S. Y. and Patil, Sagar R.} } @article { ISI:000359136500087, title = {Organocatalytic [4+1]-annulation approach for the synthesis of densely functionalized pyrazolidine carboxylates}, journal = {RSC Advances}, volume = {5}, number = {80}, year = {2015}, month = {JUL}, pages = {65554-65559}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel one-pot [4+1]-annulation process for the asymmetric synthesis of densely functionalized pyrazolidine carboxylates is described. The in situ generated gamma-hydrazino-alpha,beta-unsaturated ester obtained via proline catalysis acts as a four-atom component, and Corey{\textquoteright}s sulfur ylide or ethyl bromoacetate acts as a one-atom carbon source to construct pyrazolidine carboxylate units in a highly enantio- and diastereoselective fashion.
}, issn = {2046-2069}, doi = {10.1039/c5ra09583b}, author = {Lalwani, Komal G. and Aher, Ravindra D. and Sudalai, Arumugam} } @article { ISI:000349934600077, title = {Organocatalytic enantioselective direct vinylogous michael addition of alpha,beta-unsaturated gamma-butyrolactam to beta-acyl acrylates and 1,2-diacylethylenes}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {3}, year = {2015}, month = {FEB}, pages = {1985-1992}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A highly efficient Michael addition of alpha,beta-unsaturated gamma-butyrolactam to various beta-acyl acrylates and ene-diones to provide synthetically useful compounds was developed. The products were obtained with high diastereo- and enantioselectivities (up to \>25:1 dr and 99\% ee) containing adjacent tertiary stereocenters.
}, issn = {0022-3263}, doi = {10.1021/jo5027047}, author = {Chen, Yi-Ru and Das, Utpal and Liu, Meng-Hsien and Lin, Wenwei} } @article { ISI:000358167700015, title = {Overexpression of squalene synthase in withania somnifera leads to enhanced withanolide biosynthesis}, journal = {Plant Cell Tissue and Organ Culture}, volume = {122}, number = {2}, year = {2015}, month = {AUG}, pages = {409-420}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Genetic engineering of secondary metabolic pathways is an emerging area of research for production and improvement of natural products in plant biotechnology. Here, we describe a systematic approach to manipulate a key regulatory step of isoprenoid biosynthetic pathway in Withania somnifera to study its effect on withanolide production. We generated T-0 W. somnifera plants overexpressing squalene synthase (WsSQS) by Agrobacterium tumefaciens mediated transformation, which were analyzed by Gus biochemical assay and PCR of hygromycin phosphotransferase (hptII) and WsSQS. qRT-PCR analyses of various transformed tissues indicated 2-5 fold increase in WsSQS transcripts in both T-0 and T-1 generations. The tissue specific protein expression studies revealed 2-3 fold increase in WsSQS, which was further confirmed by enzyme activity. These observations were corroborated with the 1.5-2 fold increase in total withanolide content of the transformed tissues. However, in leaf tissue, the levels of Withaferin A and Withanolide A increased significantly up to 4-4.5 fold. These findings demonstrate genetic engineering of isoprenoid pathway in W. somnifera resulting in enhanced production of withanolides, and also provide insights into such metabolic pathways for their manipulation to improve the pharmacological content of different medicinally important plants.
}, keywords = {Agrobacterium tumefaciens, Solanaceae, Squalene synthase, Withania somnifera, Withanolides}, issn = {0167-6857}, doi = {10.1007/s11240-015-0778-3}, author = {Patel, Neha and Patel, Parth and Kendurkar, Shuchishweta V. and Thulasiram, Hirekodathakallu V. and Khan, Bashir Mohammad} } @article { ISI:000356054600003, title = {Oxidant controlled regio- and stereodivergent azidohydroxylation of alkenes via I-2 catalysis}, journal = {Chemical Communications}, volume = {51}, number = {51}, year = {2015}, month = {APR}, pages = {10276-10279}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel, I-2 catalyzed regio-and stereodivergent vicinal azidohydroxylation of alkenes leading to 1,2-azidoalcohols in high yields (up to 92\%) and excellent dr (up to 98\%) has been developed. This unprecedented transformation employs NaN3 and DMF as N-and O-nucleophiles respectively. The role of DMF as the O-source in the reaction has been unequivocally proven by O-18 labelling studies.
}, issn = {1359-7345}, doi = {10.1039/c5cc02374b}, author = {Prasad, P. K. and Reddi, R. N. and Sudalai, A.} } @article { ISI:000349088000020, title = {Oxidation catalysis by large trisoctahedral gold nanoparticles: Mind the step!}, journal = {Catalysis Today}, volume = {244}, year = {2015}, month = {APR}, pages = {177-183}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
To understand the origin of catalysis by gold and to probe the role of defects and interfaces, benchmark reactions namely CO oxidation and benzyl alcohol oxidation were carried out on supported trisoctahedral gold nanoparticles and on the inverse catalyst system. The sizes of these particles which are between 45 nm and 110 nm, are well beyond the quantum size regime and well above the optimum size range where gold is considered to be catalytically active. The periodic steps sites in contact with oxide support interface were able to promote the reaction. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {CO oxidation, Defects, Gold catalysis, Inverse catalysta, Steps and kinks}, issn = {0920-5861}, doi = {10.1016/j.cattod.2014.02.049}, author = {Sreedhala, S. and Sudheeshkumar, V. and Vinod, C. P.} } @article { ISI:000357805700036, title = {Oxidative addition of the C-I bond on aluminum nanoclusters}, journal = {Nanoscale}, volume = {7}, number = {28}, year = {2015}, month = {JUN}, pages = {12109-12125}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Energetics and the in-depth reaction mechanism of the oxidative addition step of the cross-coupling reaction are studied in the framework of density functional theory (DFT) on aluminum nanoclusters. Aluminum metal in its bulk state is totally inactive towards carbon-halogen bond dissociation but selected Al nanoclusters (size ranging from 3 to 20 atoms) have shown a significantly lower activation barrier towards the oxidative addition reaction. The calculated energy barriers are lower than the gold clusters and within a comparable range with the conventional and most versatile Pd catalyst. Further investigations reveal that the activation energies and other reaction parameters are highly sensitive to the geometrical shapes and electronic structures of the clusters rather than their size, imposing the fact that comprehensive studies on aluminum clusters can be beneficial for nanoscience and nanotechnology. To understand the possible reaction mechanism in detail, the reaction pathway is investigated with the ab initio Born Oppenheimer Molecular Dynamics (BOMD) simulation and the Natural Bond Orbital (NBO) analysis. In short, our theoretical study highlights the thermodynamic and kinetic details of C-I bond dissociation on aluminum clusters for future endeavors in cluster chemistry.
}, issn = {2040-3364}, doi = {10.1039/c5nr02278a}, author = {Sengupta, Turbasu and Das, Susanta and Pal, Sourav} } @article { ISI:000361116500070, title = {Oxidative and membrane stress-mediated antibacterial activity of WS2 and rGO-WS2 nanosheets}, journal = {RSC Advances}, volume = {5}, number = {91}, year = {2015}, month = {AUG}, pages = {74726-74733}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Graphene-based materials have strong cytotoxic attributes against bacteria due to their unique physicochemical properties. We examined the antibacterial activities of nanosheets of the graphene analogue tungsten disulphide (WS2) and a composite of reduced graphene oxide-tungsten disulphide (rGO-WS2), comparing them with reduced graphene oxide (rGO) by a time and concentration dependent viability assay and growth curve studies against four bacterial strains: Gram negative Escherichia coli (E. coli) and Salmonella typhimurium (S. typhimurium), and Gram positive Bacillus subtilis (B. subtilis) and Staphylococcus epidermidis (S. epidermidis). The nanosheets of the rGO-WS2 composite caused a more significant retardation in bacterial growth and inhibitory effect on the tested bacterial strains than WS2, followed by rGO. The tested E. coli and B. subtilis strains were more susceptible than the other strains. A mechanistic study revealed that rGO and WS2 did not produce the superoxide anion (O-2(-)) or reactive oxygen species (ROS), but the nanocomposite of rGO-WS2 did produce both. However, all these materials did oxidize glutathione, which serves as a redox state mediator in bacteria. We conclude that the antimicrobial mechanism is due to the combined effect of initial cell deposition on the rGO-WS2 materials, the membrane stress due to direct contact with the nanosheets, and the produced superoxide anion-independent oxidation mechanisms. The beneficial aspects of the physicochemical properties of rGO-WS2, such as its size and conductivity, can be precisely customized to reduce its health and environmental risk factors.
}, issn = {2046-2069}, doi = {10.1039/c5ra15652a}, author = {Navale, Govinda R. and Rout, Chandra Sekhar and Gohil, Kushal N. and Dharne, Mahesh S. and Late, Dattatray J. and Shinde, Sandip S.} } @article { ISI:000353745900013, title = {Oxone-acetone mediated syn-dioxygenation of benzo-fused olefins}, journal = {Tetrahedron Letters}, volume = {56}, number = {17}, year = {2015}, month = {APR}, pages = {2183-2186}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The oxone-acetone combination well established for olefin epoxidation has been demonstrated to be a practical reagent for the syn-dioxygenation (resulting in 1,3-dioxolanes) of indenes and dihydronaphthalenes. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Dihydronaphthalene, Dioxygenation, Indene, Oxone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.03.022}, author = {Phatake, Ravindra S. and Ramana, Chepuri V.} } @article { ISI:000356549600005, title = {Oxone-acetone mediated wacker-type oxidation of benzo-fused olefins}, journal = {Tetrahedron Letters}, volume = {56}, number = {25}, year = {2015}, month = {JUN}, pages = {3868-3871}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Herein we disclose a novel application of the oxone-acetone combination for the Wacker-type oxidation of indenes and dihydronaphthalenes leading, respectively, to indan-2-ones and 2-tetralones. The amount of the base employed in the reaction seems to switch the reaction path from dioxygenation to Wacker-type oxidation. Control experiments suggest that the reaction is not proceeding via the epoxide route and also that there is no role of trace amounts of metals present in the reagents on the current oxidation. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Dihydronaphthalene, Indene, Oxone, Wacker oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.04.102}, author = {Phatake, Ravindra S. and Ramana, Chepuri V.} } @article { ISI:000348144100049, title = {p-Aminobenzoic acid (pABA) sensitization of LaF3:Tb3+ nanoparticles and its applications in the detection of explosive materials}, journal = {RSC Advances}, volume = {5}, number = {14}, year = {2015}, month = {JAN}, pages = {10468-10478}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This work reports the utilization of water dispersible terbium (Tb3+) doped spherical LaF3 nanoparticles (similar to 5 nm) surface functionalised with p-aminobenzoic acid (pABA) for the detection of aromatic nitro explosives. The functionalised nanoparticles show remarkable sensitivity to a number of highly electron deficient aromatic nitro compounds like picric acid (PA), 2,4,6-trinitrotoluene (TNT), 2,4-dinitrotoluene (2,4-DNT), 2,4-dinitrophenol (2,4-DNP) etc. All of these nitro compounds can be detected easily at ppm level using this luminescence quenching technique whereas in the case of TNT it can detect concentrations as low as 50 ppb. This novel approach of utilising the Tb3+ doped NPs sensitised by pABA has potential application in the detection of explosive materials.
}, issn = {2046-2069}, doi = {10.1039/c4ra15304a}, author = {Ghosh, Debasish and Luwang, Meitram Niraj} } @article {43010, title = {Partial ionic bonding in homogeneous sodium clusters}, journal = {Condensed~Matter~Physics}, year = {2015}, month = {APR}, abstract = {
In this work, we report an interesting observation of partial ionic bonding due to charge transfer in homogeneous sodium clusters. The charge transfer causes the electronic charge to accumulate on the surface, and the resulting charges on atoms range between +0.4 to -1.0 |e^-|. We also demonstrate that this disparity among effective charges on atoms is geometry dependent, such that atoms experiencing similar surrounding, have equal effective charge. It is speculated that this phenomenon will occur among other homogeneous clusters as well, and its extent will be defined by the valence electron delocalization.
}, author = {Kaware, Vaibhav and Joshi, Kavita} } @conference { ISI:000354845400032, title = {Partial triples excitation to the fock space multi-reference singles and doubles: dipole moment of doublet radicals}, booktitle = {Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010)}, series = {AIP Conference Proceedings}, volume = {1642}, year = {2015}, note = {International Conference of Computational Methods in Sciences and Engineering (ICCMSE), Kos, GREECE, OCT 03-08, 2010}, month = {FEB}, pages = {223-226}, publisher = {European Soc Computat Methods Sci, Engn \& Technol}, organization = {European Soc Computat Methods Sci, Engn \& Technol}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {
We present the partial triples effect on the dipole moment of doublet radicals in Lagrangian formulation of Fockspace multi-reference coupled cluster response method(A FSMRCC). This specific scheme uses non-iterative triples, in addition to singles and doubles excitations(A FSMRCCSD(T*)), which accounts for the effects appearing at least at the third order in dipole moment. This method is applied to the ground states of small radicals.
}, keywords = {Dipole moment, Multi-reference, Triples}, isbn = {978-0-7354-1282-8}, issn = {0094-243X}, doi = {10.1063/1.4906657}, author = {Ravichandran, Lalitha and Vaval, Nayana and Pal, Sourav}, editor = {Simos, TE and Maroulis, G} } @article {45882, title = {Pd loaded amphiphilic COF as catalyst for multi-fold Heck reactions, C-C couplings and CO oxidation}, journal = {Scientific Reports}, volume = {5}, year = {2015}, month = {JUN }, pages = {10876}, type = {Article}, abstract = {
COFs represent a class of polymers with designable crystalline structures capable of interacting with active metal nanoparticles to form excellent heterogeneous catalysts. Many valuable ligands/monomers employed in making coordination/organic polymers are prepared via Heck and C-C couplings. Here, we report an amphiphilic triazine COF and the facile single-step loading of Pd-0 nanoparticles into it. An 18-20\% nano-Pd loading gives highly active composite working in open air at low concentrations (Conc. Pd(0) \< 0.05 mol\%, average TON 1500) catalyzing simultaneous multiple site Heck couplings and C-C couplings using {\textquoteleft}non-boronic acid{\textquoteright} substrates, and exhibits good recyclability with no sign of catalyst leaching. As an oxidation catalyst, it shows 100\% conversion of CO to CO2 at 150 degrees C with no loss of activity with time and between cycles. Both vapor sorptions and contact angle measurements confirm the amphiphilic character of the COF. DFT-TB studies showed the presence of Pd-triazine and Pd-Schiff bond interactions as being favorable.
}, issn = {2045-2322}, doi = {10.1038/srep10876}, author = {Mullangi, Dinesh and Nandi, Shyamapada and Shalini, Sorout and Sreedhala, Sheshadri and Vinod, Chathakudath P. and Vaidhyanathan, Ramanathan} } @article { ISI:000349669300018, title = {Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {8}, year = {2015}, month = {DEC}, pages = {2323-2329}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The inner-rim functionalization of CTV has been examined by employing Pd-catalyzed benzylic oxidation. The outcome of the oxidation depends upon the solvent and co-oxidants employed. An interesting array of CTV derivatives has been synthesized with a simple change in the conditions.
}, issn = {1477-0520}, doi = {10.1039/c4ob02469a}, author = {Senthilkumar, B. and Gonnade, Rajesh G. and Ramana, C. V.} } @article { ISI:000359166300001, title = {Penicillin V acylase from pectobacterium atrosepticum exhibits high specific activity and unique kinetics}, journal = {International Journal of Biological Macromolecules}, volume = {79}, year = {2015}, month = {AUG}, pages = {1-7}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Penicillin V acylases (PVAs, E.C.3.5.11) belong to the Ntn hydrolase super family of enzymes that catalyze the deacylation of the side chain from phenoxymethyl penicillin (penicillin V). Penicillin acylases find use in the pharmaceutical industry for the production of semi-synthetic antibiotics. PVAs employ the N-terminal cysteine residue as catalytic nucleophile and are structurally and evolutionarily related to bile salt hydrolases (BSHs). Here, we report the cloning and characterization of a PVA enzyme from the Gram-negative plant pathogen, Pectobacterium atrosepticum (PaPVA). The enzyme was cloned and expressed in Escherichia coli attaining a very high yield (250 mg/l) and a comparatively high specific activity (430 IU/mg). The enzyme showed marginally better pH and thermo-stability over PVAs characterized from Gram-positive bacteria. The enzyme also showed enhanced activity in presence of organic solvents and detergents. The enzyme kinetics turned out to be significantly different from that of previously reported PVAs, displaying positive cooperativity and substrate inhibition. The presence of bile salts had a modulating effect on PaPVA activity. Sequence analysis and characterization reveal the distinctive nature of these enzymes and underscore the need to study PVAs from Gram-negative bacteria. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Cooperative, Enzyme kinetics, Gram-negative, Penicillin V acylase, Substrate inhibition}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2015.04.036}, author = {Avinash, Vellore Sunder and Ramasamy, Sureshkumar and Suresh, C. G. and Pundle, Archana} } @article {42916, title = {Perspective on atomically thin 2d inorganic layered materials for biosensor}, journal = {Journal of Nanomedicine Research}, volume = {2}, year = {2015}, month = {JAN}, author = {Late, Dattatray J. and Rout, C. S. and Chakravarty, Disha and Ratha, S.} } @article { ISI:000353221100023, title = {Perturbations in inter-domain associations may trigger the onset of pathogenic transformations in PrPC: insights from atomistic simulations}, journal = {Molecular Biosystems}, volume = {11}, number = {5}, year = {2015}, month = {MAR}, pages = {1443-1453}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Conversion of the predominantly alpha-helical cellular prion protein (PrPC) to the misfolded beta-sheet enriched Scrapie form (PrPSc) is a critical event in prion pathogenesis. However, the conformational triggers that lead to the isoform conversion (PrPC to PrPSc) remain obscure, and conjectures about the role of unusually hydrophilic, short helix H1 of the C-terminal globular domain in the transition are varied. Helix H1 is anchored to helix H3 via a few stabilizing polar interactions. We have employed fully atomistic molecular dynamics simulations to study the effects triggered by a minor perturbation in the network of these non-bonded interactions in PrPC. The elimination of just one of the key H1-H3 hydrogen bonds led to a cascade of conformational changes that are consistent with those observed in partially unfolded intermediates of PrPC, with pathogenic mutations and in low pH environments. Our analyses reveal that the perturbation results in the enhanced conformational flexibility of the protein. The resultant enhancement in the dynamics leads to overall increased solvent exposure of the hydrophobic core residues and concomitant disruption of the H1-H3 inter-domain salt bridge network. This study lends credence to the hypothesis that perturbing the cooperativity of the stabilizing interactions in the PrPC globular domain can critically affect its dynamics and may lead to structural transitions of pathological relevance.
}, issn = {1742-206X}, doi = {10.1039/c4mb00689e}, author = {Menon, Sneha and Sengupta, Neelanjana} } @article { ISI:000357933400054, title = {Perturbative order analysis of the similarity transformed hamiltonian in fock-space coupled cluster theory: difference energy and electric response properties}, journal = {Molecular Physics}, volume = {113}, number = {13-14, SI}, year = {2015}, month = {JUL}, pages = {2046-2060}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
A perturbative analysis of the ground-state similarity transformed Hamiltonian and its effect on the various Fock-space coupled cluster (FSCC) sectors is presented through calculation of ionisation potential, electron affinity, excitation energies and response properties. Various truncation schemes of the effective Hamiltonian are presented with explicit form of the defining equations. Based on such a truncation, the approximate methods are labelled as FSCC(n), where n represents the correlation energy of the ionised, electron attached or excited states corrected at least up to nth order within coupled cluster singles and doubles scheme (CCSD). A lower scaling CC2 type of approach (abbreviated as FS-CC2) is compared against the group of FSCC(n) methods for energies. Electric response properties have been compared and contrasted for the two lower scaling methods: FSCC(2) and FS-CC2. The various truncated methods are tested for a number of small molecules. The results obtained from a range of truncated methods are compared against full FSCCSD calculations.
}, keywords = {electric response properties, Fock space, perturbative order, similarity transformed Hamiltonian}, issn = {0026-8976}, doi = {10.1080/00268976.2015.1059509}, author = {Bhattacharya, Debarati and Dutta, Achintya Kumar and Gupta, Jitendra and Pal, Sourav} } @article { ISI:000360934800002, title = {Pharmacophore and docking based virtual screening of validated mycobacterium tuberculosis targets}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {7}, year = {2015}, month = {AUG}, pages = {624-637}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Target based virtual screening has surpassed ligand based virtual screening methods in the recent past mainly as it provides more clues regarding intermolecular interactions and takes into consideration the flexible receptor as well. The current methodology describes a computational strategy of predicting Mycobacterium tuberculosis (M. tuberculosis) binders for five well studied targets representing M. tuberculosis proteome encompassing most of the known mechanisms of action. The diversity of the targets was affirmed by their active site analysis and structural studies. The current approach employed pharmacophore searching, docking and clustering techniques in tandem and was validated by enrichment studies using the available Schrodinger data set consisting of 1000 decoys. The application of this methodology was demonstrated by predicting potential molecular targets for fifty newly synthesized compounds. Cross docking studies on the targets were carried out with 4512 known inhibitors utilizing a high performance computing platform to reveal underlying affinity and promiscuity patterns. Optimum binding energy range for all targets as determined by high throughput docking was found to be -3 to -13 kcal/mol.
}, keywords = {Binding energy, docking, Mycobacterium tuberculosis, open source drug discovery (OSDD), pharmacophore, structure based drug design (SBDD)}, issn = {1386-2073}, doi = {10.2174/1386207318666150703112759}, author = {Vyas, Renu and Karthikeyan, Muthukumarasamy and Nainaru, Ganesh and Muthukrishnan, Murugan} } @article { ISI:000348753600040, title = {Phase behavior, diffusion, structural characteristics, and pH of aqueous hydrophobic ionic liquid confined media: insights into microviscosity and microporsity in the [C(4)C(4)im][NTf2] + water system}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {4}, year = {2015}, month = {JAN}, pages = {1641-1653}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We present our studies on the physicochemical properties of water confined in Dibutylimidazolium bis(trifluoromethanesulfonylimide) ([C(4)C(4)im][NTf2]) reverse micelles through the NMR relaxation measurements that provide us an understanding of microviscosity and pH in the confined condition. We present experimental results on phase behavior, diffusion, structural characteristics and pH in aqueous ionic liquid-confined media. The ternary phase diagram was constructed by the cloud point measurements and the microheterogeneous regions were detected by the measurement of bulk viscosity and diffusion coefficients of K-4[Fe(CN)(6)] inside the homogeneous microemulsion systems through the cyclic voltammetric (CV) measurements. The size of the microemulsion systems was characterized by the dynamic light scattering (DLS) method. The H-1 NMR spectra of homogeneous microemulsion systems were taken which indicates the presence of bound and free water molecules inside the microemulsion system. The NMR spinlattice relaxation time (T-1) of water molecules in its homogeneous microemulsion systems were measured and the reorientational correlation time (t(c)) of water molecules obtained from it indicates that the fluidity of homogeneous confined media decreases with the decrease in the composition of water. Microviscosity of the aqueous confined media was calculated from the measured T-1 relaxation time values by applying the DebyeStokes equation and correlated with the bulk viscosity of the samples. It was observed that both the microviscosity and bulk viscosity show inverse relationship. The fraction of bound and free water molecules were calculated from the measured T-1 values. NMR spinspin relaxation time (T-2) of water molecules in its homogeneous microemulsion systems were measured with the varying pH of the aqueous core. A change in the T-2 relaxation time of the water proton was observed proposing an exchange of proton between the H2O and -OH group of the TX-100 molecules. Finally, methyl orange (MO) was used as a UVvis spectrophotometric molecular probe and the measured lambda(max) values of the probe were used for the detection of micropolarity of the homogeneous aqueous confined media and was found to be increase with the increase in the size of the confined media.
}, issn = {1520-6106}, doi = {10.1021/jp511318t}, author = {Nanda, Raju and Kumar, Anil} } @article { ISI:000357788700014, title = {Phase behaviour of the ternary system: monoolein-water-branched polyethylenimine}, journal = {Soft Matter}, volume = {11}, number = {28}, year = {2015}, month = {JUN}, pages = {5705-5711}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Addition of a branched polymer, polyethyleneimine, significantly alters the organization of a glycerol monooleate (GMO) lipid-water system. We present detailed data over a wide range of compositions (water content from 10 to 40\%, relative to GMO and PEI fractions from 0 to 4\%) and temperatures (25-80 degrees C). The PEI molecular weight effects are examined using polymers over a range from 0.8 to 25 kDa. Addition of PEI induces the formation of higher curvature reverse phases. In particular, PEI induces the formation of the Fd3m phase: a discontinuous phase comprising reverse micelles of two different sizes stacked in a cubic AB(2) crystal. The formation of the Fd3m phase at room temperature, upon addition of polar, water soluble PEI is unusual, since such phases typically are formed only upon addition of apolar oils. The largest stability window for the Fd3m phase is observed for PEI with a molecular weight = 2 kDa. We discuss how PEI influences the formation and stability of high curvature phases.
}, issn = {1744-683X}, doi = {10.1039/c5sm01082a}, author = {Kumar, Manoj and Kumaraswamy, Guruswamy} } @article { ISI:000357618200029, title = {Phenols from green tea as a dual functional coating to prepare devices for energy storage and molecular separation}, journal = {Chemical Communications}, volume = {51}, number = {58}, year = {2015}, month = {JUN}, pages = {11662-11664}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Polyphenols from green tea were used to electrolessly deposit gold on silk cocoons (SCs) and nanoporous aluminum oxide (AAO) templates. The gold coated cocoons were used as electrodes in supercapacitors and showed a capacitance as high as 254 F g(-1) and a specific power of 2287 W kg(-1). A metal coated AAO template was used for molecular separation.
}, issn = {1359-7345}, doi = {10.1039/c5cc03108g}, author = {Das, Chayanika and Jain, Bhanprakash and Krishnamoorthy, Kothandam} } @article { ISI:000346189100095, title = {Phosphate enriched polyoxometalate based ionic salts for proton conduction}, journal = {RSC Advances}, volume = {5}, number = {3}, year = {2015}, month = {DEC}, pages = {2333-2337}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A series of [NiMo12O30(PO4)(8)](n-) POM anion and organic cation based ionic composites have been prepared in hydrothermal conditions. The ionic composites with protonated ethylene diamine molecules have been tested for proton conductivity.
}, issn = {2046-2069}, doi = {10.1039/c4ra07598f}, author = {Dey, Chandan and Kundu, Tanay and Aiyappa, Harshitha Barike and Banerjee, Rahul} } @article { ISI:000355786500005, title = {Phosphonated USY, a promising catalyst for the development of environmentally benign biodiesel (methyl acetate) process}, journal = {Journal of Energy Chemistry}, volume = {24}, number = {3}, year = {2015}, month = {MAY}, pages = {285-290}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The present study focuses on the evaluation of the potential applicability of Ultra Stable Y (USY) and phosphonated USY (1 wt\%-4 wt\% phosphorous loading) as heterogeneous catalysts for biodiesel (methyl acetate) production. The synthesized catalysts were characterized by powder X-ray diffraction (XRD), Brunaer-Emmett-Teller (BET) surface area, total acidity by temperature-programmed desorption of ammonia (TPD-NH3) and Fourier Transform Infrared (FTIR) spectra. The performances of catalysts were evaluated for the transesterification of butyl acetate with methanol (a model reaction in biodiesel production). In view to obtain a maximum yield of methyl acetate, the optimization of process parameters such as reactant molar ratio, catalyst loading, reaction temperature and reaction time was performed. All the phosphonated USY catalysts showed higher catalytic activity than the parent USY, which can be attributed to the increase of total acidity due to phosphonation. 2 wt\% P/USY (2\% phosphorous loaded on USY) exhibited 92\% methyl acetate yield with 100\% selectivity, which was proved to be a potential catalyst for biodiesel production. The invented catalyst was found to be stable and reusable for five catalytic cycles, demonstrating that it might be a environmentally benign catalytic process.
}, keywords = {Biodiesel, methyl acetate, phosphonated USY, transesterification}, issn = {2095-4956}, doi = {10.1016/S2095-4956(15)60313-8}, author = {Nandiwale, Kakasaheb Y. and Gopal, Gahana C. and Bokade, Vijay V.} } @article { ISI:000363347800036, title = {Photochemical performance of ZnO nanostructures in dye sensitized solar cells}, journal = {Solid State Sciences}, volume = {48}, year = {2015}, month = {OCT}, pages = {237-243}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In this work, the photoconversion efficiencies of ZnO having diverse microstructures and structural defects have been investigated. A conversion efficiency of 138\% was achieved for the DSSCs fabricated with as prepared ZnO nanorods having minimum vacancy defects and a favourable one dimensional directional pathway for electron conduction. The DSSCs fabricated with ZnO nanoparticles exhibited relatively low conversion efficiency of 1.004\% probably due to multiple trapping/detrapping phenomena within the grain boundaries and ZnO flowers though exhibited a high dye adsorption capability exhibited the lowest conversion efficiency of 0.59\% due to a high concentration of structural defects. Based on the experimental evidences, we believe that the type of defects and their concentrations are more important than shape in controlling the overall performance of ZnO based DSSCs. (C) 2015 Elsevier Masson SAS. All rights reserved.
}, keywords = {DSSC, Efficiency, Emission, Structural defects, ZnO}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2015.08.014}, author = {Das, Partha Pratim and Mukhopadhyay, Soumita and Agarkar, Shruti A. and Jana, Arpita and Devi, P. Sujatha} } @article { ISI:000348922100005, title = {Photo-responsive pseudorotaxanes and assemblies}, journal = {Chemical Society Reviews}, volume = {44}, number = {3}, year = {2015}, month = {DEC}, pages = {663-676}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Chemists have achieved a predictable control over various non-covalent interactions and have used these weak interactions in their favour for developing a plethora of intricate functional structures. In this tutorial review we have summarized reports on such supramolecular structures that describe the rational approach in designing host and/or guest components, tagged with an appropriate fluorophore, for achieving the modified optical responses on formation of an assembly. This has relevance for designing new photo-responsive smart or adaptive stimuli responsive functional materials, self- healable materials, with interesting photo-physical property. These are also important in the area of supramolecular chemistry and biophysical chemistry in predicting the relative conformation in solution.
}, issn = {0306-0012}, doi = {10.1039/c4cs00295d}, author = {Mandal, Amal Kumar and Gangopadhyay, Monalisa and Das, Amitava} } @article { ISI:000355011700006, title = {Photosensitive field emission study of SnS2 nanosheets}, journal = {Journal of Vacuum Science \& Technology B}, volume = {33}, number = {3}, year = {2015}, month = {MAY}, pages = {Article Number: 03C106}, publisher = {A V S AMER INST PHYSICS}, address = {STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA}, abstract = {
SnS2 nanosheets (SnS(2)NSs), synthesized by one-step hydrothermal reaction, are subjected to field emission (FE) studies. For synthesis, specific concentrations of Na2SnO3 and thioamide solutions are used. The FE study is carried out in a planar diode configuration at a base pressure of similar to 10(-8) mbar. The emission photosensitivity is also investigated by illuminating the specimen with a visible light source. In dark, the turn on field, the electric field required to obtain a current density of 1 mu A/cm(2), is found to be 5.9 V/mu m. Upon illumination, the emitter with visible light, it is found to reduce to 5.0 V/mu m. A significant change in the nature of the Fowler-Nordheim plot with light illumination is also observed and has been explained on the basis of photoconductivity. Repetitive switching ON and OFF the light source, at a fixed applied voltage, is found to generate current pulses. The photosensitivity is also studied with various color filters. With the photoswitching and the enhanced field emission properties, it is envisaged that SnS(2)NSs possess a potential for optoelectronic applications of field emitters. (C) 2014 American Vacuum Society.
}, issn = {1071-1023}, doi = {10.1116/1.4904970}, author = {Joshi, Padmashree D. and Joag, Dilip S. and Rout, Chandra Shekhar and Late, Dattatray J.} } @article { ISI:000353058700025, title = {Polarity issues in room temperature ionic liquids}, journal = {Clean Technologies and Environmental Policy}, volume = {17}, number = {4}, year = {2015}, month = {APR}, pages = {1111-1116}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The study on ionic liquids has occupied an important place in chemical processes because of several beneficial properties. In order to use these ionic liquids as solvent media in chemical processes, it is essential to know their solvent properties. In this review, an attempt has been made to critically evaluate and discuss the polarity parameters of ionic liquids. The experimental polarity data on ionic liquids are not yet available for numerous ionic liquids. This review will serve as a guideline to investigate polarity issues of these materials and emerge with a simple, but still sound theoretical or semi-empirical models to account for the variation in polarity in the ionic liquid solutions.
}, issn = {1618-954X}, doi = {10.1007/s10098-014-0864-y}, author = {Shukla, Shashi Kant and Kumar, Anil} } @article { ISI:000350856400003, title = {Polybenzimidazole based polymeric ionic liquids (PILs): effects of controlled degree of N-quaternization on physical and gas permeation properties}, journal = {Journal of Membrane Science}, volume = {481}, year = {2015}, month = {MAY}, pages = {19-27}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Polymeric ionic liquids (PILs) are gaining increasing attention as potential membrane materials to be employed for CO2 separation. With a goal to improve gas permeability, this work presents a series of film forming PlLs obtained by controlled degree of N-quaternization (DQ) of PBI-BuI using a bulky 4-tertbutylbenzyl group. Concurrent effects of variation in ionic content and bulky group substitution were analyzed for physical and gas permeation properties of the resulting PILs. Attempted structural variations leading to simultaneous increments in ionic content and bulky groups offered amorphous polymers with acceptable thermal stability and non-monotonous chain packing density. Enhancement in pure gas permeability coupled with appreciable selectivity for various gas pairs was in accordance with the packing density variations in the series. Gas permeability showed maxima at DQ of just 13\%. This conveyed that effects of bulky group substitution in retarding chain packing are overcome by attractive ionic interactions at much lower DQ in these PILs ionic interactions are thus more predominant in governing chain packing and gas permeation properties. These PILs possessed 3.3-20 times higher CO2 permeability in comparison to their parent PBI-BuI, without a significant loss in selectivity. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Degree of quaternization, Gas permeation, Polybenzimidazole, Polymeric ionic liquid}, issn = {0376-7388}, doi = {10.1016/j.memsci.2015.02.004}, author = {Rewar, Anita S. and Bhavsar, Rupesh S. and Sreekumar, K. and Kharul, Ulhas K.} } @article {45933, title = {Polybenzimidazole-based polymeric ionic liquids (PILs): effects of {\textquoteleft}substitution asymmetry{\textquoteright} on CO2 permeation properties}, journal = {Journal of Membrane Science}, volume = {493}, year = {2015}, month = {NOV }, pages = {403-413}, type = {Article}, abstract = {
Polymeric Ionic Liquids (PILs) are being considered as promising membrane materials for CO2 separation. Present work aims at investigating effects substitution asymmetry on imidazole moiety of two structurally different polybenzimidazoles (PBI-BuI and PBI-HFA) on physical, gas sorption and transport properties of the resulting film forming PILs possessing symmetric substitution, while keeping one of the N-substituent as methyl group. PILs were obtained with high degree of substitution. The halide anion of these PILs was exchanged with BF4-, Tf-2(N) over bar and HF (B) over bar anions. Effects of substituents, cationic backbone and type of anions on gas permeation properties of PILs using pure gases (He, H-2, N-2 and CO2) were examined at 20 atm upstream pressure and correlated with their physical properties. Combination of typical ionic liquid character (effective towards enhancing CO2 sorption) and looser chain packing (ease in gas diffusion) offered improved CO2 permeation characteristics. As an outcome, some of the PILs exhibited higher CO2 permeation than that of hydrogen, typically known as {\textquoteleft}reverse selectivity{\textquoteright}. These asymmetrically substituted PILs enhanced not only the gas permeability, but also selectivity than their symmetrically substituted counterparts. (C) 2015 Elsevier B.V. All rights reserved.
}, issn = {0376-7388}, doi = {10.1016/j.memsci.2015.07.020}, author = {Shaligram, Sayali V. and Wadgaonkar, Prakash P. and Kharul, Ulhas K.} } @article { ISI:000351556100059, title = {Polyelectrolytes in dilute solution: viscometric access to coil dimensions and salt effects}, journal = {RSC Advances}, volume = {5}, number = {35}, year = {2015}, month = {MAR}, pages = {27674-27681}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Copolymers of acrylamide (AM) and diallyldimethylammonium chloride (DADMAC), differing in molar masses M (52.3 to 227 kDa) and degrees of charging y (0.2 to 0.6), were studied with respect to their viscometric behavior in dilute aqueous solutions containing variable amounts of NaCl. Complementary measurements were performed on a Brookhaven 90 plus particle size analyzer. M dominates the intrinsic viscosities [eta]. For the viscometric interaction parameters B this is only true for large concentrations of extra salt. [eta] and B as a function of solvent salinity follow Boltzmann laws. Coil dimensions, determined either via dynamic light scattering or viscometry, agree well. For low salt contents of the solvent the radii decrease with rising polymer concentration, whereas they increase for high salt concentrations; at a characteristic salinity of the solvent they become independent. Zeta potentials grow from +20 to +40 mV as y goes up.
}, issn = {2046-2069}, doi = {10.1039/c5ra01376c}, author = {Suresha, P. R. and Badiger, Manohar V. and Wolf, Bernhard A.} } @article { ISI:000365205000004, title = {Pore surface engineering in porous, chemically stable covalent organic frameworks for water adsorption}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {47}, year = {2015}, month = {NOV}, pages = {23664-23669}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein, we have explored the possibility of a class of covalent organic frameworks (COFs) as water adsorbing materials. We have selected, synthesized 12 chemically stable functionalized Schiff base COFs and thoroughly studied their water uptake behaviour. Further, a deep understanding was developed with these COFs towards the effects of condensation pressure of water and hydrophilic/hydrophobic groups present in the COF pores on water absorption capacity and ultimately, their recyclability. Among all reported COFs, TpPa-1 shows the highest water uptake of 30 wt\% (368 cm(3) g(-1); 17 mmol g(-1)) at P/P-0 = 0.3, which is also comparable with the recently reported carbon materials and few well known MOFs. This study also reveals that the overall water uptake of COFs can be tuned systematically based on chemical functionality and pore size in a wider window of relative pressures.
}, issn = {2050-7488}, doi = {10.1039/c5ta07998e}, author = {Biswal, Bishnu P. and Kandambeth, Sharath and Chandra, Suman and Shinde, Digambar Balaji and Bera, Saibal and Karak, Suvendu and Garai, Bikash and Kharul, Ulhas K. and Banerjee, Rahul} } @article { ISI:000349401200010, title = {Porous poly(ethylene glycol)-polyurethane hydrogels as potential biomaterials}, journal = {Polymer International}, volume = {64}, number = {3}, year = {2015}, month = {MAR}, pages = {397-404}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
We report the synthesis of porous poly(ethylene glycol)-polyurethane (PEG-PU) hydrogels using PEG-4000 as a soft segment and 4,4-methylenebis(cyclohexylisocyanate) as a hard segment. The degree of swelling in the hydrogels could be controlled by varying the amount of crosslinking agent, namely 1,2,6-hexanetriol. Structural characterization of the hydrogels was performed using solid-state C-13 NMR and Fourier transform infrared spectroscopy. Wide-angle X-ray diffraction studies revealed the existence of crystalline domains of PEG and small-angle X-ray scattering studies showed the presence of lamellar microstructures. For generating a porous structure in the hydrogels, cryogenic treatment with lyophilization was used. Scanning electron microscopy and three-dimensional micro-computed tomography imaging of the hydrogels indicated the presence of interconnected pores. The mechanical strength of the hydrogels and xerogels was measured using dynamic mechanical analysis. The observed dynamic storage moduli (E) for the equilibrium swollen and dry gels were found to be 0.15 and 4.2 MPa, respectively. Interestingly, the porous PEG-PU xerogel also showed E of 5.6 MPa indicating a similar mechanical strength upon incorporating porosity into the gel matrix. Finally, preliminary cytocompatibility studies showed the ability of cells to proliferate in the hydrogels. These gels show promise for applications as scaffolds and implants in tissue engineering. (c) 2014 Society of Chemical Industry
}, keywords = {hydrogels, permeability, poly(ethylene glycol), polyurethane, porosity}, issn = {0959-8103}, doi = {10.1002/pi.4802}, author = {Divakaran, Anumon V. and Torris, Arun A. T. and Lele, Ashish K. and Badiger, Manohar V.} } @article { ISI:000354991500013, title = {Possible correlation between bile salt hydrolysis and ahl deamidation: staphylococcus epidermidis RM1, a potent quorum quencher and bile salt hydrolase producer}, journal = {Applied Biochemistry and Biotechnology}, volume = {176}, number = {1}, year = {2015}, month = {MAY}, pages = {140-150}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
The aim of the present work was to isolate a bile salt hydrolase (BSH) producer from fermented soy curd and explore the ability of the BSH produced to cleave bacterial quorum sensing signals. Bacterial isolates with possible ability to deconjugate bile salts were enriched and isolated on De Man, Rogosa and Sharpe (MRS) medium containing 0.2 \% bile salts. BSH-producing positive isolate with orange-pink-pigmented colonies was isolated and was identified as a strain of Staphylococcus epidermidis using biochemical and phylogenetic tools. S. epidermidis RM1 was shown to possess both potent BSH and N-acyl homoserine lactone (AHL) cleavage activity. Genetic basis of this dual-enzyme activity was explored by means of specific primers designed using S. epidermidis ATCC 12228 genome as template. It was observed that a single enzyme was not responsible for both the activity. Two different genetic elements corresponding to each of the enzymatic activity were successfully amplified from the genomic DNA of the isolate.
}, keywords = {AHL acylase, Bile salt hydrolase, CV026, Quorum quenching, Staphylococcus epidermidis}, issn = {0273-2289}, doi = {10.1007/s12010-015-1563-9}, author = {Mukherji, Ruchira and Prabhune, Asmita} } @article { ISI:000346339500005, title = {Possible mechanism of antifungal phenazine-1-carboxamide from pseudomonas sp against dimorphic fungi Benjaminiella poitrasii and human pathogen Candida albicans}, journal = {Journal of Applied Microbiology}, volume = {118}, number = {1}, year = {2015}, month = {JAN}, pages = {39-48}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
AimInvestigation of antifungal mechanism of phenazine 1-carboxamide (PC) produced by a Pseudomonas strain MCC2142. Methods and ResultsAn antifungal metabolite produced by a Pseudomonas was purified and identified as PC. Human pathogenic fungi such as Candida albicans, Candidaglabrata, Cryptococcus neoformans, Fusarium oxysporum, Aspergillus fumigatus and Aspergillus niger were found to be inhibited by PC (MIC90 32-64gml(-1)). Addition of PC (20gml(-1)) during yeast (Y)-hypha (H) transitions inhibited germ tube formation by \>90\% and \>99\% in C.albicans National Collection of Industrial Microorganisms (NCIM) 3471 and nonpathogenic model Benjaminiella poitrasii, respectively. After exposure to PC (20gml(-1)), 75-80\% yeast cells of B.poitrasii and C.albicans NCIM 3471 showed rhodamine 123 fluorescence indicating high intracellular reactive oxygen species (ROS) production. ROS further led to hyperpolarization of mitochondrial membrane, subsequently induction of apoptosis as evident by externalization of phosphatidylserine, DNA fragmentation, chromatin condensation and finally death in B.poitrasii. In C.albicans NCIM 3471, PC (20gml(-1)) induced apoptosis. ConclusionsThe antifungal effect of PC in B.poitrasii and C.albicans may be due to ROS-mediated apoptotic death. Significance and Impact of the StudyInhibition of Y-H transition of B.poitrasii and C.albicans by PC indicates that it may prove useful in the control of dimorphic human pathogens.
}, keywords = {Apoptosis, Candida albicans, dimorphism, phenazines, Pseudomonas sp, reactive oxygen species}, issn = {1364-5072}, doi = {10.1111/jam.12675}, author = {Tupe, S. G. and Kulkarni, R. R. and Shirazi, F. and Sant, D. G. and Joshi, Swati P. and Deshpande, Mukund V.} } @article { ISI:000361212000060, title = {Potent inhibition of miR-27a by neomycin-bisbenzimidazole conjugates}, journal = {Chemical Science}, volume = {6}, number = {10}, year = {2015}, month = {JUL}, pages = {5837-5846}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
miRNAs are important components of regulatory networks that control gene expression and have implications in various diseases including cancer. Targeting oncogenic miRNAs with small molecules is currently being explored to develop cancer therapeutics. Here, we report the development of dual binding neomycin-bisbenzimidazole conjugates that target oncogenic miR-27a with high affinity (K-a = 1.2 to 7.4 x 10(8) M-1). These conjugates bring significant reduction (similar to 65\% at 5 mu M) in mature miRNA levels and penetrate easily in the cells where they localise both in the cytoplasm and the nucleus. Cell cycle analysis showed significant increase in the G0/G1 phase (similar to 15\%) and decrease in the S phase (similar to 7\%) upon treatment with neomycin-bisbenzimidazole conjugates, suggesting inhibition of cell proliferation. Using the conjugation approach, we show that moderately binding ligands can be covalently combined into high affinity binders. This study also highlights the role of linker optimization in designing high affinity ligands for miR-27a targeting.
}, issn = {2041-6520}, doi = {10.1039/c5sc01969a}, author = {Nahar, Smita and Ranjan, Nihar and Ray, Arjun and Arya, Dev P. and Maiti, Souvik} } @article {45926, title = {Potential applications of glucosyltransferases in terpene glucoside production: impacts on the use of aroma and fragrance}, journal = {Applied Microbiology and Biotechnology}, volume = {99}, year = {2015}, month = {JAN}, pages = {165-174}, type = {Article}, abstract = {
The detection of glucoconjugated forms of monoterpene alcohols in rose petals in the late 1960s opened the new field of nonvolatile aroma precursors in flavor research. It is now well established that odorless glycosides represent a significant pool of aroma precursors in plants where they act as preformed but inactivated defense or attractive chemicals. Technical improvements in the separation and identification of plant secondary metabolites have provided a multitude of chemical structures, but functional characterization of glycosyltransferases that catalyze their formation lags behind. As technical efforts and costs for DNA sequencing dramatically dropped during the last decade, the number of plant genome sequences increased significantly, thus providing opportunities to functionally characterize the glycosyltransferase gene families in plants. These studies yielded the first glycosyltransferase genes that encode efficient biocatalysts for the production of monoterpene glucosides. They have applications in the food, feed, chemical, cosmetic, and pharmaceutical industries as slow release aroma chemicals.
}, issn = {0175-7598}, doi = {10.1007/s00253-014-6229-y}, author = {Schwab, Wilfried and Fischer, Thilo C. and Giri, Ashok and Wuest, Matthias} } @article { ISI:000360934400004, title = {Prediction of bioactive compounds using computed NMR chemical shifts}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {6}, year = {2015}, month = {JAN}, pages = {562-576}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
NMR based chemical shifts are an important diagnostic parameter for structure elucidation as they capture rich information related to conformational, electronic and stereochemical arrangement of functional groups in a molecule which is responsible for its activity towards any biological target. The present work discusses the importance of computing NMR chemical shifts from molecular structures. The NMR chemical shift data (experimental or computed) was used to generate fingerprints in binary formats for mapping molecular fragments (as descriptors) and correlating with the bioactivity classes. For this study, chemical shift data derived binary fingerprints were computed for 149 classes and 4800 bioactive molecules. The sensitivity and selectivity of fingerprints in discriminating molecules belonging to different therapeutic categories was assessed using a LibSVM based classifier. An accuracy of 82\% for proton and 94\% for carbon NMR fingerprints were obtained for anti-psoriatic and anti-psychotic molecules demonstrating the effectiveness of this approach for virtual screening.
}, keywords = {Chemical shift, fingerprints, NMR, similarity searching, virtual screening}, issn = {1386-2073}, doi = {10.2174/1386207318666150703113312}, author = {Karthikeyan, Muthukumarasamy and Rajamohanan, Pattuparambil Ramanpillai and Vyas, Renu} } @article { ISI:000356370500002, title = {Preferential enrichment of DL-leucine using cocrystal formation with oxalic acid under nonequilibrium crystallization conditions}, journal = {Chirality}, volume = {27}, number = {7}, year = {2015}, month = {JUL}, pages = {405-410}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
By utilizing the preferential enrichment (PE) technique, we achieved an improved enantiomeric resolution of DL-leucine (Leu) using a 1:1 cocrystal (DL-1) of DL-Leu and oxalic acid. The crystal structure analysis of DL-1 indicated the occurrence of a novel type of phase transition and subsequent preferential redissolution of one enantiomer from the resulting crystals into solution. Chirality 27:405-410 2015. (c) 2015 Wiley Periodicals, Inc.
}, keywords = {chiral resolution, cocrystal formation, leucine, phase transition, preferential enrichment}, issn = {0899-0042}, doi = {10.1002/chir.22431}, author = {Manoj, Kochunnoonny and Takahashi, Hiroki and Morita, Yoko and Gonnade, Rajesh G. and Iwama, Sekai and Tsue, Hirohito and Tamura, Rui} } @article { ISI:000361402600005, title = {Preparation and characterization of flexible ferromagnetic nanocomposites for microwave applications}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {200}, year = {2015}, month = {OCT}, pages = {40-49}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Magnetic Fe3O4 nanoparticles (similar to 20 nm) were synthesized using the chemical co-precipitation method with a view of developing flexible and easily processable ferromagnetic materials with high mouldability to be used as microwave absorbers. The nanoparticles prepared were incorporated into natural rubber through latex stage processing. This novel processing method gives better dispersion of particles in the rubber matrix. The composites were characterized using XRD, SEM, vibrating sample magnetometer, dynamic mechanical analyzer, cavity perturbation, thermogravimetry (TGA), and Fourier transform infrared photoacoustic spectroscopy (FTIR-PAS). A notable improvement in the mechanical properties of composites was observed upon adding Fe3O4 particles. Magnetic and microwave characteristics of the composites indicate the formation of a flexible ferromagnetic material with good microwave absorption characteristics. (C) 2015 Published by Elsevier B.V.
}, keywords = {Fe3O4, Ferromagnetic, FTIR-PAS, Microwave absorption, Natural rubber, SEM, XRD}, issn = {0921-5107}, doi = {10.1016/j.mseb.2015.04.014}, author = {Thomas, Teena and Kanoth, Bipinbal P. and Nijas, C. M. and Joy, Pattayil Alias and Joseph, Joseph M. and Kuthirummal, Narayanan and Thachil, Eby T.} } @article { ISI:000353754000021, title = {Preparation and characterization of self-photostabilizing UV-durable bionanocomposite membranes for outdoor applications}, journal = {Carbohydrate Polymers}, volume = {123}, year = {2015}, month = {JUN}, pages = {164-173}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Here, we report a durable and ultraviolet (UV) resistant nanocomposite membrane of chitosan (CS) with effective photostabilization ascribed to Zinc oxide (ZnO) nanoparticles. Zinc oxide nanoparticles were successfully dispersed in the solution of chitosan polymer. The nanocomposite films with the homogenous dispersion of ZnO nanoparticles in the chitosan matrix were obtained by solution casting method and the influence of ZnO nanoparticles as a photostabilizer was studied. The nanocomposite membranes were photoirradiated by polychromatic radiations with lambda \> 300 nm using mercury vapour lamps in SEPAP instrument. The resulting nanocomposite material exhibited excellent UV-resistance in very low percentages of ZnO nanoparticles. The chitosan membranes showed fast degradation attributes than the nanocomposite membranes. ZnO nanoparticles effectively absorbed UV radiations, thus protecting polymer from radiation degradation. The neat and irradiated nanocomposites of chitosan and ZnO nanoparticles (CS/ZnO) were characterized by Fourier Transform Infrared Spectroscopy (FT-IR) spectroscopy for the chemical changes/degradation taking place. Chitosan nanocomposites were further characterized for tensile properties, contact angle measurements and surface morphology. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Bionanocomposite membrane, Chitosan, Contact angle measurement, Fourier transform infrared spectroscopy, Photostabilization, Zinc oxide nanoparticles}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.12.062}, author = {Kushwaha, Omkar S. and Avadhani, C. V. and Singh, R. P.} } @article { ISI:000354028700005, title = {Preparation of Ag(Shell)-Au(Core) nanoparticles by anti-galvanic reactions: are capping agents the {\textquoteleft}{\textquoteleft}real heroes{\textquoteright}{\textquoteright} of reduction?}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {478}, year = {2015}, month = {AUG}, pages = {30-35}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The formation of Ag(shell)-Au(core) nanoparticles by the reduction of Ag+ ions on preformed Au NPs, mediated by the capping agents like dodecylamine is described. We clearly established that while monodisperse Ag(shell)-Au(core) structures can be formed in presence of weak surface binding ligands such as amines, strong binding ligands such as thiols, lead to formation of separate monometallic Au and Ag particles. Apart from highlighting the influence of metal-ligand binding strength on the formation of core-shell nanoparticle architectures, our study also provides an easy means to produce Ag( shell)-Au( core) structures. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Ag(shell)-Au(core) nanoparticles, Anti-Galvanic reactions}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2015.03.028}, author = {Sahu, Puspanjali and Bhagavatula L. V. Prasad} } @article { ISI:000364032500052, title = {Preparation of mesoporous titanosilicate with isolated Ti active centers for cyclohexene oxidation}, journal = {RSC Advances}, volume = {5}, number = {112}, year = {2015}, month = {OCT}, pages = {92371-92377}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report the preparation of mesoporous titanosilicate with active Ti centres using CTAB as the structure directing agent and ethylenediamine as the complexing agent (TSC-ED). The finalmaterial contained isolated Ti4+ centres substituting Si4+ in the mesoporous silica framework. The crucial role played by ethylenediamine in complexing with Ti4+ during the sol-gel process and preventing the phase segregation of TiO2 was studied systematically. The textural parameters, structural order, morphology, nature and co-ordination of Ti species were analyzed using various techniques such as X-ray diffraction (XRD), UV-vis diffused reflectance spectroscopy (UV-vis DRS), UV resonance Raman spectroscopy, Fourier transformed Infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), transition electron microscopy (TEM), and X-ray photoelectron spectroscopy. Finally, the catalysts were tested for catalytic activity in the oxidation of cyclohexene using various oxidants.
}, issn = {2046-2069}, doi = {10.1039/c5ra18044a}, author = {Gupta, S. and Vinod, C. P. and Jagadeesan, Dinesh} } @article {42673, title = {Preparation of Ni3S2 and Ni3S2-Ni nanosheets via solution based processes}, journal = {Crystal Growth \& Design}, volume = {15}, year = {2015}, month = {MAY}, pages = {2584{\textendash}2588}, abstract = {
An easy and convenient preparation of nanometer-thick sheets of Ni3S2 and Ni3S2{\textendash}Ni from solution processed molecularly thin sheets of Ni-thiolates is described. Both the Ni3S2 and Ni3S2{\textendash}Ni possessed sheet-like morphologies and displayed room temperature ferromagnetic characteristics. The ferromagnetic nature of these samples was also confirmed by MFM studies, and AFM/TEM investigations substantiated the sheet-like morphology of the samples.
}, doi = {10.1021/acs.cgd.5b00307}, author = {Busupalli, Balanagulu and Date, Kalyani S. and Datar, Suwarna and Bhagavatula L. V. Prasad} } @article { ISI:000349556700067, title = {Process optimization by response surface methodology for transesterification of renewable ethyl acetate to butyl acetate biofuel additive over borated USY zeolite}, journal = {RSC Advances}, volume = {5}, number = {22}, year = {2015}, month = {JAN}, pages = {17109-17116}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Butyl acetate, a renewable biofuel additive was synthesized by transesterification of butanol with ethyl acetate via a renewable and sustainable route. Use of fermentation derived bio-butanol and bio-ethyl acetate for synthesis of butyl acetate would be a more advantageous route over conventional Fischer Esterification. For the first time, a heterogeneous zeolite catalyst such as Ultra Stable Y (USY) and its modified versions obtained by borating on parent USY were used for the synthesis of butyl acetate. Response surface methodology (RSM) was employed to optimize the process parameters for transesterification of butanol with ethyl acetate over a 4\% (w/w) B-USY catalyst. The influence of three crucial process variables such as catalyst loading, molar ratio, and reaction temperature on yield of butyl acetate were addressed by Box-Behnken experimental design (BBD). 4\% (w/w) B-USY was proved to be a potential catalyst with 96\% yield of butyl acetate at optimum process parameters. The 4\% (w/w) B-USY catalyst was found to be reusable for 6 catalytic cycles.
}, issn = {2046-2069}, doi = {10.1039/c4ra14771e}, author = {Nandiwale, Kakasaheb Y. and Galande, Nitish D. and Bokade, Vijay V.} } @article { ISI:000355940900018, title = {Production of polyunsaturated fatty acids in recombinant lipomyces starkeyi through submerged fermentation}, journal = {Bioprocess and Biosystems Engineering}, volume = {38}, number = {7}, year = {2015}, month = {JUL}, pages = {1407-1414}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Long chain polyunsaturated fatty acids (LCPUFA) are known to play an important role in human health and nutrition. Considering the limitation of LCPUFA sources, it is necessary to search new avenues for their production. Oleaginous yeasts are an attractive target for harvesting single cell oil, mainly because of the ease of cultivation with cheaper raw material. Lipomyces starkeyi is one such oleaginous yeast, which can accumulate oil to the extent of 60 \% of its biomass and where genetic transformation can be achieved. In our earlier work, Delta 15 desaturase gene (AEP37840) from flax was transformed into L. starkeyi. In the present work, we report optimization of medium for the production of omega-3 enriched oil from this transformed yeast. A basic medium containing 20 g/l glucose as a carbon source and 10 g/l yeast extract as a nitrogen source was used during fermentation. At regular time intervals, glucose was fed to maintain high C:N ratio (65:10) during fermentation. Under the most favorable conditions, dry biomass and total lipid content were 18 and 7.29 g/l, respectively. Prior to genetic transformation, L. starkeyi contained 56.03 mg/l DHA along with 71.4 mg/l EPA and 42.2 mg/l ALA. Genetic engineering of this yeast resulted in a strain that produced 1080 mg/l DHA (17.4 \%) along with 74.28 mg/l EPA and 126.72 mg/l ALA possibly through modification of PUFA biosynthetic pathway. To the best of our knowledge, this is a first report of DHA enrichment and opens up avenues for LCPUFA production through L. starkeyi.
}, keywords = {Fermentation, LCPUFA, Lipid production, Oleaginous yeast}, issn = {1615-7591}, doi = {10.1007/s00449-015-1382-y}, author = {Salunke, Devyani and Manglekar, Rupali and Gadre, Ramchandra V. and Nene, Sanjay and Harsulkar, Abhay M.} } @article { ISI:000350056800015, title = {Proline-catalyzed alpha-aminooxylation of beta-amino aldehydes: access to enantiomerically pure syn- and anti-3-amino-3-aryl-1,2-alkanediols}, journal = {Synlett}, volume = {26}, number = {3}, year = {2015}, month = {FEB}, pages = {355-358}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A new synthetic method for enantioselective synthesis of syn 3-amino-3-aryl-1,2-alkanediols via praline catalyzed alpha-aminaoxn y ylation of beta-amino aldehydes des are described. This methodology is successfully applied to a concise and protecting group-free asymmetric synthesis of (-)-cytoxazone (+)-epi-cytoxazone and formal synthesis of N-thiolated 2-oxazolidinone.
}, keywords = {amino aldehydes, Asymmetric synthesis, catalysis, diastereoselectivity, Enantioselectivity, Natural product}, issn = {0936-5214}, doi = {10.1055/s-0034-1379735}, author = {Venkataramasubramanian, V. and Kiran, I. N. Chaithanya and Sudalai, Arumugam} } @article { ISI:000349934600083, title = {Proline-catalyzed sequential syn-mannich and [4+1]-annulation cascade reactions to form densely functionalized pyrrolidines}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {3}, year = {2015}, month = {FEB}, pages = {2024-2031}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A highly efficient one-pot [4 + 1]-annulation process for the asymmetric synthesis of densely functionalized pyrrolidine derivatives is described. The in situ generated syn-Mannich adduct obtained via proline catalysis acts as a four-atom component, and Coreys sulfur ylide or ethyl bromoacetate acts as a one-atom carbon source to construct pyrrolidine units in a highly enantio- and diastereoselective manner.
}, issn = {0022-3263}, doi = {10.1021/jo5028886}, author = {Aher, Ravindra D. and Kumar, B. Senthil and Sudalai, Arumugam} } @article { ISI:000359031400006, title = {Propensity of self-assembled leucine-lysine diblock copolymeric alpha-helical peptides to remain in parallel and antiparallel alignments in water}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {30}, year = {2015}, month = {JUL}, pages = {9520-9531}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Molecular dynamics Simulation study of alpha-helical diblock copolypeptides: preassembled in parallel and antiparallel alignments in water are presented. The assembled peptide lamellar structures were not disrupted even: after performing three step simulation protocols. Primarily hydrogen bonds between peptide are responsible for the stability: The analysis of the trajectory also suggests that Water plays a significant role in favoring self assembly We have detected continuous hydrogen bonded network structure, which is further responsible for the stability Of the lamellar structures. We have performed a detailed analysis of the hydrogen bonded network structure and its length. Further, free energy calculations revealed that the degree of stability for both lamellae are similar. The present study provides structural insight into the stability of self-assembled structures of block copolypeptides.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b02258}, author = {Sarkar, Sujit and Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000360934400005, title = {Protein ligand complex guided approach for virtual screening}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {6}, year = {2015}, month = {JAN}, pages = {577-590}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
The target ligand association data is a rich source of information which is not exploited enough for drug design efforts in virtual screening. A java based open-source toolkit for Protein Ligand Network Extraction (J-ProLiNE) focused on protein-ligand complex analysis with several features integrated in a distributed computing network has been developed. Sequence alignment and similarity search components have been automated to yield local, global alignment scores along with similarity and distance scores. 10000 proteins with co-crystallized ligands from pdb and MOAD databases were extracted and analyzed for revealing relationships between targets, ligands and scaffolds. Through this analysis, we could generate a protein ligand network to identify the promiscuous and selective scaffolds for multiple classes of proteins targets. Using J-ProLiNE we created a 507 x 507 matrix of protein targets and native ligands belonging to six enzyme classes and analyzed the results to elucidate the protein-protein, protein-ligand and ligand-ligand interactions. In yet another application of the J-ProLiNE software, we were able to process kinase related information stored in US patents to construct disease-gene-ligand-scaffold networks. It is hoped that the studies presented here will enable target ligand knowledge based virtual screening for inhibitor design.
}, keywords = {Complexes, ligand, protein, scaffolds, sequences, similarity score, virtual screening}, issn = {1386-2073}, doi = {10.2174/1386207318666150703112620}, author = {Karthikeyan, Muthukumarasamy and Pandit, Deepak and Vyas, Renu} } @article { ISI:000364862000037, title = {Proton transport mechanism of imidazole, triazole and phosphoric acid mixtures from ab initio molecular dynamics simulations}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {45}, year = {2015}, month = {OCT}, pages = {30551-30559}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We performed first principles molecular dynamics simulations to elucidate the mechanism and role of 1,2,3-triazole in proton transport while it is mixed with phosphoric acid (PA) and a phosphoric acid imidazole mixture. PA doped imidazole based polymer acts as an efficient polyelectrolyte membrane for fuel cells. The conductivity of this membrane increases when triazole is added to the system. For the first time we performed ab initio molecular dynamics simulations of complex mixtures of PA, imidazole and triazole. We have quantitatively estimated the structural diffusion and vehicular motion of protons. We found that upon the addition of triazole in PA and the PA imidazole mixture, the structural diffusion of protons increases significantly. The mechanism of proton transport is different when triazole is added to the mixture. We have also identified two different paths for structural diffusion (constructive and non-constructive) that contribute to long and short range proton transport.
}, issn = {1463-9076}, doi = {10.1039/c5cp05735c}, author = {Pahari, Swagata and Roy, Sudip} } @article { ISI:000362436800013, title = {Pt-nanoparticle functionalized carbon nano-onions for ultra-high energy supercapacitors and enhanced field emission behaviour}, journal = {RSC Advances}, volume = {5}, number = {99}, year = {2015}, month = {SEP}, pages = {80990-80997}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In the present work, we have investigated the charge storage capacitive response and field emission behaviour of platinum (Pt) nanoparticles decorated on carbon nano onions (CNOs) and compared them with those of pristine carbon nano onions. The specific capacitance observed for Pt-CNOs is 342.5 F g(-1), about six times higher than that of pristine CNOs, at a scan rate of 100 mV s(-1). The decoration with Pt nanoparticles, without any binder or polymer separator on the CNO, leading to enhanced supercapacitance is due to easy accessibility of Na2SO4 electrolyte in the active material. The Density Functional Theory (DFT) calculations of these systems reveal enhancement in the Density of States (DOS) near the Fermi energy (E-F) on account of platinum decoration on the CNOs. Furthermore, the field emission current density of similar to 0.63 mA cm(-2) has been achieved from the Pt-CNOs emitter at an applied electric field of similar to 4.5 V mu m(-1) and from the pristine CNOs sample current density of similar to 0.4 mA cm(-2) has been achieved at an applied electric field of similar to 6.6 V mu m(-1). The observed enhanced field emission behavior has been attributed to the improved electrical conductivity and increased emitting sites of the Pt-CNO emitter. The field emission current stability of the Pt-CNO emitter over a longer duration is found to be good. The observed results imply multifunctional potential of Pt-CNOs, as supercapacitor material in various next generation hybrid energy storage devices, and field emitters for next generation vacuum nano/microelectronic devices.
}, issn = {2046-2069}, doi = {10.1039/c5ra12364j}, author = {Suryawanshi, Sachin R. and Kaware, Vaibhav and Chakravarty, Disha and Walke, Pravin S. and More, Mahendra A. and Joshi, Kavita and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000367561500004, title = {p-type NiO hybrid visible photodetector}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {50}, year = {2015}, month = {DEC}, pages = {27597-27601}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A novel hybrid visible-light photodetector was created using a planar p-type inorganic NiO layer in a junction with an organic electron acceptor layer. The effect of different oxygen pressures on formation of the NiO layer by pulsed laser deposition shows that higher pressure increases the charge carrier density of the film and lowers the dark current in the device. The addition of a monolayer of small molecules containing conjugated pi systems and carboxyl groups at the device interface was also investigated and with correct alignment of the energy levels improves the device performance with respect to the quantum efficiency, responsivity, and photogeneration. The thickness of the Organic layer was also optimized for the device, giving a responsivity of 1.54 X 10(-2) A W-1 in 460 nm light.
}, keywords = {nickel oxide, organic, oxygen vacancies, photodetector, pulsed laser deposition, surface modifier}, issn = {1944-8244}, doi = {10.1021/acsami.5b09291}, author = {Mallows, John and Planells, Miguel and Thakare, Vishal and Bhosale, Reshma and Ogale, Satishchandra and Robertson, Neil} } @article { ISI:000364314500010, title = {Pulsed laser-driven molecular self-assembly of cephalexin: aggregation-induced fluorescence and its utility as a mercury ion sensor}, journal = {Photochemistry and Photobiology}, volume = {91}, number = {6}, year = {2015}, month = {NOV}, pages = {1340-1347}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A fluorescent self-assembly of cephalexin is obtained by pulsed laser irradiation process. An intense fluorescence emission is found in the self-assembled form due to occurrence of a typical aggregation-induced emission in cephalexin molecules. It is observed that fluorescence quenching of the self-assembled fluorescent nanostructures occurs in the presence of extremely low Hg++ ions concentrations (10(-7) M) as compared to other heavy metal ions e.g. Ferrous (Fe++), Manganese (Mn++), Magnesium (Mg++), Cobalt (Co++), Nickel (Ni++) and Zinc (Zn++) at the same concentrations.
}, issn = {0031-8655}, doi = {10.1111/php.12526}, author = {Singh, Pradeep Kumar and Prabhune, Asmita and Ogale, Satishchandra} } @conference {42972, title = {Purification and characterization of an agglutinin from datura innoxia with antineoplastic activity}, booktitle = {National Science Day, At CSIR-NCL}, year = {2015}, month = {FEB}, address = {CSIR-National Chemical Laboratory, Pune 411008, India}, abstract = {
Lectins are carbohydrate binding proteins of non-immune origin. Due to their multivalency, lectins can be easily detected using agglutination. Lectins are reported to induce cytotoxicity or inhibition of growth in various cancer cells., hence good therapeutic startegy against cancer. Factors such as specificity, stability, assay rapidity, and costs combine to make lectins attractive diagnostic reagents. Datura innoxia belongs to family of Solanaceae.All parts of the plant are hallucinogenic, hypnotic and narcotic. Application: at low dose acts as pain killer, relieves asthma and rheumatism.
}, author = {Singh, Ruby and Nawale, Laxman and Gaikwad, Sushama M. and Suresha, C. G.} } @article { ISI:000351325200008, title = {Pyrazine-based organometallic complex: synthesis, characterization, and supramolecular chemistry}, journal = {Inorganic Chemistry}, volume = {54}, number = {6}, year = {2015}, month = {MAR}, pages = {2543-2550}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The design, synthesis, and characterization of a new pyrazine-based ditopic platinum(II) organometallic complex are reported. The molecular structure of the organoplatinum pyrazine dipod was determined by single-crystal X-ray crystallography. The potential utility of this organometallic ditopic acceptor as a building block in the construction of neutral metallasupramolecular macrocycles containing the pyrazine motif was explored. Pyrazine motifs containing supramolecules were characterized by multinuclear NMR (including H-1 DOSY), mass spectrometry, and elemental analysis. The geometry of each supramolecular framework was optimized by employing the PM6 semi-empirical molecular orbital method to predict its shape and size. The ability of the pyrazine-based organoplatinum complex to act as a host for nitroaromatic guest (2,4-dinitrotoluene and PA) molecules was explored by isothermal titration calorimetry (ITC). The binding stoichiometry and thermodynamic parameters of these host guest complexation reactions were evaluated using ITC. Theoretical calculations were performed to obtain insight into the binding pattern between the organometallic host and nitroaromatic guests. The preferable binding propensity of the binding sites of complex 1 for both nitroaromatics (PA and 2,4-dinitrotoluene) determined by molecular simulation studies corroborates well with the experimental results as obtained by ITC experiments.
}, issn = {0020-1669}, doi = {10.1021/ic502581x}, author = {Bhowmick, Sourav and Chakraborty, Sourav and Das, Atanu and Rajamohanan, P. R. and Das, Neeladri} } @article { ISI:000356251500001, title = {Qualitative and quantitative proteomic analysis of vitamin C induced changes in mycobacterium smegmatis}, journal = {Frontiers in Microbiology}, volume = {6}, year = {2015}, month = {MAY}, pages = {Article Number: 451}, publisher = {FRONTIERS RESEARCH FOUNDATION}, address = {PO BOX 110, LAUSANNE, 1015, SWITZERLAND}, abstract = {
Vitamin C is a critical dietary nutrient in human which has a wide range of regulatory effects on gene expression and physiology of Mycobacterium tuberculosis that leads to a dormant drug-tolerant phenotype. In the presence of iron, vitamin C shows a high bactericidal activity even in the drug resistant phenotype of M. tuberculosis. The regulatory mechanisms underlying vitamin C induced adaptations are largely unknown due to lack of functional genomics data in this field. In this study, we attempt to characterize the direct effect of vitamin C treatment on the physiology of actively growing Mycobacterium smegmatis. The study chose M. smegmatis as it is a fast-growing bacterium and a non-pathogenic model system which shares many physiological features with the pathogenic M. tuberculosis including dormancy and its regulation. The proteomic adaptation of M. smegmatis on vitamin C treatment demonstrates the important changes in cellular and metabolic process such as reversal of tricarboxylic acid cycle, decrease in ATP synthesis, decrease in iron acquisition and storage, and induction of dormancy regulators WhiB3, PhoP, and Lsr2.
}, keywords = {dormancy, Mycobacterium smegmatis, proteomics, tuberculosis, vitamin C}, issn = {1664-302X}, doi = {10.3389/fmicb.2015.00451}, author = {Mishra, Abhishek and Sarkar, Dhiman} } @conference {42952, title = {Quantitative, automated, high content screening assay approach to anti-angiogenicdrug discovery}, booktitle = {National Science Day, At CSIR-NCL}, year = {2015}, month = {FEB}, address = {Combi Chem-Bio Resource Center, OCD, National Chemical Laboratory, Pune - 411 008}, abstract = {
Angiogenesisenhancescancer,maculardegeneration,etc.. Currentangiogenicassays--indirect,manual,timeconsuming,laborintensive,difficulttoquantify,andexpensive. Wedevelopedanautomated,quantitative,HighContentScreeningangiogenictubeformationassaywouldbenefitdrugdiscoveryforseveraltherapeuticareas. Humanendothelialcellswereseededwithpro-oranti-angiogeniccompoundsonaMatrigelTMlayerina96-wellplate.Afterangiogenictubesformation,thepositivecontrolsandthetestsampleswerefixed,fluorescentlylabeled,automaticallyimagedonCellomics{\textquoteright}ArrayScan{\textregistered}HCSReader,andquantitativelyanalyzedon-the-flybytheTubeFormationBioApplicationsoftwaremodule. Multiplefeaturesrelevantforangiogenesisandangiogenictubeformationwereautomaticallymeasured. Thisrobustandreliableassaythusenabledthelarge-scale,quantitative,screeningandcharacterizationofcompoundsaffectingbothpro-andanti-angiogenicpathways.
}, author = {Nawale, Laxman and Sarkar, Dhiman} } @article { ISI:000356324000001, title = {Radical-mediated dehydrative preparation of cyclic imides using (NH4)(2)S2O8-DMSO: application to the synthesis of vernakalant}, journal = {Beilstein Journal of Organic Chemistry}, volume = {11}, year = {2015}, month = {JUN}, pages = {1008-1016}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {
Ammonium persulfate-dimethyl sulfoxide (APS-DMSO) has been developed as an efficient and new dehydrating reagent for a convenient one-pot process for the synthesis of miscellaneous cyclic imides in high yields starting from readily available primary amines and cyclic anhydrides. A plausible radical mechanism involving DMSO has been proposed. The application of this facile one-pot imide forming process has been demonstrated for a practical synthesis of vernakalant.
}, keywords = {APS-DMSO, imides, practical synthesis, radical-mediated, vernakalant}, issn = {1860-5397}, doi = {10.3762/bjoc.11.113}, author = {Garad, Dnyaneshwar N. and Tanpure, Subhash D. and Mhaske, Santosh B.} } @article { ISI:000365891600061, title = {Ranking of reactions based on sensitivity of protein noise depends on the choice of noise measure}, journal = {Plos One}, volume = {10}, number = {12}, year = {2015}, month = {DEC}, pages = {Article Number: e0143867}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Gene expression is a stochastic process. Identification of the step maximally affecting noise in the protein level is an important aspect of investigation of gene product distribution. There are numerous experimental and theoretical studies that seek to identify this important step. However, these studies have used two different measures of noise, viz. coefficient of variation and Fano factor, and have compared different processes leading to contradictory observations regarding the important step. In this study, we performed systematic global and local sensitivity analysis on two models of gene expression to investigate relative contribution of reaction rate parameters to steady state noise in the protein level using both the measures of noise. We analytically and computationally showed that the ranking of parameters based on the sensitivity of the noise to variation in a given parameter is a strong function of the choice of the noise measure. If the Fano factor is used as the noise measure, translation is the important step whereas for coefficient of variation, transcription is the important step. We derived an analytical expression for local sensitivity and used it to explain the distinct contributions of each reaction parameter to the two measures of noise. We extended the analysis to a generic linear catalysis reaction system and observed that the reaction network topology was an important factor influencing the local sensitivity of the two measures of noise. Our study suggested that, for the analysis of contributions of reactions to the noise, consideration of both the measures of noise is important.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0143867}, author = {Gokhale, Sucheta A. and Gadgil, Chetan J.} } @article {42925, title = {Rapid characterization of oxidative deterioration in edible oil by optical photospectrometry}, journal = {Journal of Food and Dairy Technology}, volume = {3}, year = {2015}, month = {APR}, abstract = {
This research work aimed to investigate the kinetic reaction of reused cooking oil and find the optimum conditions of its process. The feedstock was collected from the commercially available sunflower oil. Our investigation shows that the kinetic reaction of reused sunflower oil (auto-oxidation) obtained in terms of variation of absorption coefficient of unexposed sunflower as 0.05 while the exposed sunflower had 0.075. The optimum condition from optical absorption spectroscopy investigations were obtained as 0.267 for unexposed sunflower oil and 0.194 for exposed sunflower oil at room temperature. Furthermore, our FTIR spectroscopic results obtained are accurate and precise enough for such detection such as free fatty acid (FFA ~ 26\%), acid ~ 53\% and saponification ~ 192\% get reduce in exposed oil was investigated.
}, author = {More, Pravin S. and Shelke, Anil V. and Late, Dattatray J.} } @article { ISI:000362679300035, title = {Rapid conductometric sensor for the analysis of cyanide using imidazole based receptor}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {40}, year = {2015}, month = {SEP}, pages = {26790-26796}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A specific and efficient hydrogen bonding interaction between cyanide and the HN-H [imidazole] in an aqueous medium has been utilized for the selective recognition of cyanide under physiological conditions. The possibility of utilizing such an interaction for developing any practical device for the specific detection of cyanide in an aqueous environment has not been explored to date. We now report a simple dip and read conductometric sensor for cyanide ions using a tailored electrode in aqueous media. The purpose built reagent, 2-phenyl-1H-anthra-[2,3-d]-immidazole-5,10 dione was immobilized in a polyaniline matrix to fabricate this conductometric device. The homogeneous immobilization of the receptor in polyaniline was confirmed by FT-IR mapping. The proposed transduction mechanism is charge neutralization on the polyaniline moiety, which ultimately inhibits the protonation resulting in a decrease in the conductance of polyaniline. The sensor response was measured in three ranges of cyanide concentration (10(-10) M to 10(-8) M; 10(-8) M to 10(-6) M and 10(-6) M to 10(-3) M). Whereas the device is found insensitive in the first range, it acts as a detector in the second range and as a proportional sensor in the third range. The minimum detection limit of this device was found to be 10 nmol L-1 (2.6 ppt), which is significantly less than the WHO guideline values. The responses have been investigated under various conditions such as different pH and the electrochemical state of the polymer. The current device has been found to be better close to neutral pH and at a 400 mV vs. Ag/AgCl potential. The reproducibility and repeatability of the sensor was investigated and interference studies were performed.
}, issn = {1463-9076}, doi = {10.1039/c5cp03773e}, author = {Paul, Anirban and Perween, Mosarrat and Saha, Sukdeb and Srivastava, Divesh N. and Das, Amitava} } @article { ISI:000356515900042, title = {Rational approach towards enhancing solar water splitting: a case study of Au-RGO/N-RGO-TiO2}, journal = {Nanoscale}, volume = {7}, number = {25}, year = {2015}, month = {MAY}, pages = {11206-11215}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A rational approach was employed to enhance the solar water splitting (SWS) efficiency by systematically combining various important factors that helps to increase the photocatalytic activity. The rational approach includes four important parameters, namely, charge generation through simulated sunlight absorption, charge separation and diffusion, charge utilization through redox reaction, and the electronic integration of all of the above three factors. The complexity of the TiO2 based catalyst and its SWS activity was increased systematically by adding reduced graphene oxide (RGO) or N-doped RGO and/or nanogold. Au-N-RGO-TiO2 shows the maximum apparent quantum yield (AQY) of 2.46\% with a H-2 yield (525 mu mol g(-1) h(-1)) from aqueous methanol, and overall water splitting activity (22 mu mol g(-1) h(-1); AQY = 0.1\%) without any sacrificial agent under one sun conditions. This exercise helps to understand the factors which help to enhance the SWS activity. Activity enhancement was observed when there is synergy among the components, especially the simulated sunlight absorption (or one sun conditions), charge separation/conduction and charge utilization. Electronic integration among the components provides the synergy for efficient solar light harvesting. In our opinion, the above synergy helps to increase the overall utilization of charge carriers towards the higher activity.
}, issn = {2040-3364}, doi = {10.1039/c5nr02613j}, author = {Bharad, Pradnya A. and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S.} } @article { ISI:000362890300003, title = {Rational drug design, synthesis and biological evaluation of dihydrofolate reductase inhibitors as antituberculosis agents}, journal = {Future Medicinal Chemistry}, volume = {7}, number = {8}, year = {2015}, month = {JUN}, pages = {979-988}, publisher = {FUTURE SCI LTD}, address = {UNITED HOUSE, 2 ALBERT PL, LONDON, N3 1QB, ENGLAND}, abstract = {
Background: A series of 2,4-diamino-s-triazines was designed, with potential for activity against Mycobacterium tuberculosis (Mtb) dihydrofolate reductase enzyme, on the basis of virtual screening results and structure-based drug design. Results: The compounds were evaluated against Mtb (H(37)Rv) and their cytotoxicity was assessed using VERO cell lines. Of particular note, two compounds were found to have the most promising antituberculosis activity (6b minimum inhibitory concentration: 1.76 mu M and 6i minimum inhibitory concentration: 1.57 mu M) along with low cytotoxicity (CC50 : \> 300 mu M). The enzyme assay results of these two indicated significant inhibition of Mtb dihydrofolate reductase along with selectivity. Selected derivatives were tested against dormant tubercle bacilli in vivo and ex vivo indicating potential inhibition. Conclusion: This study provides promising antituberculosis dihydrofolate reductase inhibitors that can act as potential leads for further development.
}, issn = {1756-8919}, doi = {10.4155/FMC.15.48}, author = {Tawari, Nilesh R. and Bag, Seema and Raju, Archana and Lele, Arundhati C. and Bairwa, Ranjeet and Ray, Mukti Kanta and Rajan, M. G. R. and Nawale, Laxman U. and Sarkar, Dhiman and Degani, Mariam S.} } @article { ISI:000343686900002, title = {Rational preparation of Ag and Au bimetallic catalysts for the hydrocarbon-SCR of NOx: sequential deposition vs. coprecipitation method}, journal = {Applied Catalysis B-Environmental}, volume = {162}, year = {2015}, month = {JAN}, pages = {11-20}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
This study emphasizes the importance of the preparation method for bimetallic Au-Ag catalysts supported on alumina in the selective reduction of NOx by hydrocarbons with gas feed compositions representative of diesel fuelled engine exhaust gas. An optimal balance between oxidative and reductive surface properties is obtained when Au and Ag are successively introduced. Significant re-dispersion processes take place when the catalyst runs at 500 degrees C leading to a gain in activity at low temperature and ascribed to a better interaction between Au and Ag species. Co-precipitation leads to a preferential formation of intermetallic Au-Ag particles which is detrimental to the catalytic performances. Aging at 500 degrees C leads to a significant particle sintering and a strengthening of the metallic character. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Au-Ag particles, Co-precipitation, DeNO(x) reaction, HC-SCR}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2014.06.031}, author = {More, Pavan M. and Nguyen, D. L. and Dongare, Mohan K. and Shubhangi B. Umbarkar and Nuns, N. and Girardon, J. S. and Dujardin, Christophe and Lancelot, Christine and Mamede, Anne-Sophie and Granger, P.} } @article {42433, title = {Reaction of N-heterocyclic carbenes with chalcones leading to the synthesis of deoxy-breslow intermediates in their oxidized form}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {JUL}, pages = {13690-13693}, abstract = {
The synthesis of deoxy-Breslow intermediates in their oxidized form has been developed\ via\ the reaction of N-heterocyclic carbenes (NHCs) with chalcones. Moreover, the initial tetrahedral adduct formed from the 1,4-addition of NHCs to chalcones is also isolated.

\
}, doi = {10.1039/C5CC05800G}, author = {Bhunia, Anup and Thorat, Shridhar H. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000356753600002, title = {Reactivity and catalytic activity of hydrogen atom chemisorbed silver clusters}, journal = {Journal of Physical Chemistry A}, volume = {119}, number = {24}, year = {2015}, month = {JUN}, pages = {6162-6170}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Metal clusters of silver have attracted recent interest of researchers as a result of their potential in different,catalytic applications and low Cost. However, due to the completely filled d orbital and very high first ionization potential of the silver atom, the silver-based catalysts interact very weakly with the reacting molecules. In the current work, density functional theory calculations were carried out to investigate the effect of hydrogen atom chemisorption. On the reactivity and catalytic properties of inert silver clusters Our results affirm that the hydrogen atom chemisorption leads to enhancement the binding energy of the adsorbed O-2 molecule on the inert silver clusters. The increase in the binding energy is also characterized by the decrease in the Ag-O and increase in the O-O bond lengths in the case of the AgnH Silver clusters. Pertinent to the increase in the O-O bond length, a. significant red shift in the O-O Stretching frequency is. also noted in the case,of the AgnH silver clusters. Moreover, the hydrogen atom chemisorbed silver clusters show low reaction barriers and heat Of formation of the final products for the,environmentally important CO oxidation reaction as compared to the parent catalytically inactive clusters The obtained results were compared with those of the corresponding gold and hydrogen atom chemisorbed gold clusters obtained at the same level of theory. It is expected the current computational study will provide key insights for future advances in the design of efficient nanosilver-based catalysts through the adsorption of a small atom or a ligand.
}, issn = {1089-5639}, doi = {10.1021/acs.jpca.5b01987}, author = {Manzoor, Dar and Pal, Sourav} } @article { ISI:000352508300032, title = {Reactivity and operational stability of N-Tailed TAMLs through kinetic studies of the catalyzed oxidation of orange II by H2O2: synthesis and x-ray structure of an N-Phenyl TAML}, journal = {Chemistry A-European Journal}, volume = {21}, number = {16}, year = {2015}, month = {APR}, pages = {6226-6233}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
{The catalytic activity of the N-tailed (biuret) TAML (tetraamido macrocyclic ligand) activators [Fe{4-XC6H3-1,2-(NCOCMe2NCO)(2)NR}Cl](2-) (3; N atoms in boldface are coordinated to the central iron atom; the same nomenclature is used in for compounds 1 and 2 below), [X
}, keywords = {Hydrogen peroxide, iron, kinetics, Oxidation, reaction mechanisms}, issn = {0947-6539}, doi = {10.1002/chem.201406061}, author = {Warner, Genoa R. and Mills, Matthew R. and Enslin, Clarissa and Pattanayak, Shantanu and Panda, Chakadola and Panda, Tamas Kumar and Sen Gupta, Sayam and Ryabov, Alexander D. and Collins, Terrence J.} } @article { ISI:000363167900028, title = {Reagent for specific recognition of cysteine in aqueous buffer and in natural milk: imaging studies, enzymatic reaction and analysis of whey protein}, journal = {Chemical Communications}, volume = {51}, number = {85}, year = {2015}, month = {AUG}, pages = {15592-15595}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report a new chemodosimetric probe (L) for specific recognition of cysteine (Cys) in aqueous buffer and in whey protein isolated from fresh cow{\textquoteright}s milk. Using this reagent we could develop a luminescence-based methodology for estimation of Cys released from a commercially available Cys-supplement drug by aminoacylase-1 in live cells.
}, issn = {1359-7345}, doi = {10.1039/c5cc04876a}, author = {Anila, H. A. and Reddy, Upendar G. and Ali, Firoj and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000358219300005, title = {Recent advances in employing homoenolates generated by N-heterocyclic carbene (NHC) catalysis in carbon-carbon bond-forming reactions}, journal = {Chemical Society Reviews}, volume = {44}, number = {15}, year = {2015}, month = {MAY}, pages = {5040-5052}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The use of NHCs for generating homoenolate species has gained widespread popularity in recent years. A number of highly stereoselective processes of NHC-homoenolates have emerged. Homoenolate reactions have also been employed as key steps in the total synthesis of a number of natural products. The use of compatible co-catalysts, improved NHC-catalyst design and the use of novel precursors for homoenolate generation are among the major developments in this area that were disclosed recently. This tutorial review organises and presents the advancements in this rapidly growing area of catalysis and in the process updates a previous account published in 2011 in this journal.
}, issn = {0306-0012}, doi = {10.1039/c5cs00162e}, author = {Menon, Rajeev S. and Biju, Akkattu T. and Nair, Vijay} } @article {42436, title = {Recent advances in the N-heterocyclic carbene (NHC)-organocatalyzed stetter reaction and related chemistry}, journal = {Synthesis-Stuttgart}, volume = {47}, year = {2015}, month = {APR}, pages = {1357-1378}, abstract = {
Recent developments in the N-heterocyclic carbene (NHC)-catalyzed umpolung of aldehydes followed by their interception with activated carbon{\textendash}carbon double bonds, namely the Stetter reaction, are presented. Advances in the inter- and intramolecular versions of this reaction, enantioselective transformations as well as the use of unactivated olefins in this type of reaction are discussed.
}, doi = {10.1055/s-0034-1378692}, author = {Yetra, Santhivardhana Reddy and Patra, Atanu and Biju, Akkattu T.} } @article { ISI:000352791300086, title = {Recent development of plant products with anti-glycation activity: a review}, journal = {RSC Advances}, volume = {5}, number = {39}, year = {2015}, month = {MAR}, pages = {31113-31138}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Diabetes mellitus (DM) is an endocrine disorder characterized by chronic hyperglycemia, which results from an absolute or a relative deficiency of insulin or resistance to insulin. Hyperglycemia is increasingly linked to the pathogenesis of diabetic complications in individuals with long-duration diabetes. One of the inevitable consequences of hyperglycemia is the enhanced accumulation of advanced glycation end-products (AGEs), which are implicated in the pathogenesis of diabetes. Various natural products and their active constituents have reportedly been used for the treatment of diabetes and its complications. Some of these molecules are known to have anti-glycation activity. The search for novel anti-glycation agents from various sources is gaining a lot of importance. Attention has especially been focused on plants with an ethnopharmacological background and also on plants rich in triterpenoids and phenolics, which generally exhibit antioxidant and anti-glycation effects. Plant extracts or compounds obtained from them that possess both antioxidant and anti-glycation activities might have great therapeutic potential for treating diabetic complications. This review highlights the anti-glycation activities of phytochemicals, which will aid in the identification of lead molecules for the development of new anti-glycation drugs.
}, issn = {2046-2069}, doi = {10.1039/c4ra14211j}, author = {Chinchansure, Ashish A. and Korwar, Arvind M. and Kulkarni, Mahesh J. and Joshi, Swati P.} } @article { ISI:000359234100003, title = {Recent developments in 2D layered inorganic nanomaterials for sensing}, journal = {Nanoscale}, volume = {7}, number = {32}, year = {2015}, month = {JUN}, pages = {13293-13312}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Two dimensional layered inorganic nanomaterials (2D-LINs) have recently attracted huge interest because of their unique thickness dependent physical and chemical properties and potential technological applications. The properties of these layered materials can be tuned via both physical and chemical processes. Some 2D layered inorganic nanomaterials like MoS2, WS2 and SnS2 have been recently developed and employed in various applications, including new sensors because of their layer-dependent electrical properties. This article presents a comprehensive overview of recent developments in the application of 2D layered inorganic nanomaterials as sensors. Some of the salient features of 2D materials for different sensing applications are discussed, including gas sensing, electrochemical sensing, SERS and biosensing, SERS sensing and photodetection. The working principles of the sensors are also discussed together with examples.
}, issn = {2040-3364}, doi = {10.1039/c5nr03633j}, author = {Kannan, Padmanathan Karthick and Late, Dattatray J. and Morgan, Hywel and Rout, Chandra Sekhar} } @article { ISI:000350842300005, title = {Recent developments in solar H-2 generation from water splitting}, journal = {Journal of Chemical Sciences}, volume = {127}, number = {1}, year = {2015}, month = {JAN}, pages = {33-47}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Hydrogen production from water and sunlight through photocatalysis could become one of the channels, in the not-so-distant future, to meet a part of ever growing energy demands. However, accomplishing solar water splitting through semiconductor particulate photocatalysis seems to be the {\textquoteleft}Holy Grail{\textquoteright} problem of science. In the present mini-review, some of the critical strategies of semiconductor photocatalysis are focused with the aim of enumerating underlying critical factors such as visible light harvesting, charge carrier separation, conduction and their utilization that determine the quantum efficiency. We attempted to bring out the essential requirements expected in a material for facile water splitting by explaining important and new designs contributed in the last decade. The newly emerged designs in semiconductor architecture employing nanoscience towards meeting the critical factors of facile photocatalysis are elucidated. The importance of band gap engineering is emphasized to utilize potential wide band gap semiconductors. Assistance of metal nanostructures and quantum dots to semiconductors attains vital importance as they are exuberant visible light harvesters and charge carrier amplifiers. Benevolent use of quantum dots in solar water splitting and photoelectrochemical water splitting provides scope to revolutionize the quantum efficiency by its multiple exciton generation features. A list of drawbacks and issues that hamper the much needed breakthrough in photocatalysis of water splitting is provided to invite attention to address them and move towards sustainable water splitting.
}, keywords = {Hydrogen, nanomaterial, Photocatalysis, quantum dot, Semiconductor, visible light, water splitting}, issn = {0974-3626}, doi = {10.1007/s12039-014-0747-0}, author = {Rajaambal, Sivaraman and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S.} } @article { ISI:000363416400072, title = {Recyclable ionic liquid iodinating reagent for solvent free, regioselective iodination of activated aromatic and heteroaromatic amines}, journal = {RSC Advances}, volume = {5}, number = {107}, year = {2015}, month = {OCT}, pages = {88311-88315}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This article describes a simple, efficient method for iodination of activated aromatic and heteroaromatic amines using recyclable 1-butyl-3-methylpyridinium dichloroiodate (BMPDCI) as an ionic liquid iodinating reagent, in the absence of any solvent. The main advantages are a simple efficient procedure, good yields and no need for any base/toxic heavy metals, or oxidizing agents. The ionic liquid was recovered and recycled in five subsequent reactions, without much loss of activity. This method was applied for the synthesis of the antiprotozoal drug iodoquinol and the antifungal drug clioquinol.
}, issn = {2046-2069}, doi = {10.1039/c5ra14702f}, author = {Deshmukh, Amarsinh and Gore, Babasaheb and Thulasiram, Hirekodathakallu V. and Swamy, Vincent P.} } @article { ISI:000357617800013, title = {Reduced graphene oxide composite with oxidizable manganese/cobalt mixed oxide for p-cresol oxidation by using molecular oxygen}, journal = {ChemPlusChem}, volume = {80}, number = {7}, year = {2015}, month = {JUL}, pages = {1164-1169}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
A composite of graphene oxide (GO) with mixed oxide (MnCo) was prepared by using a solvothermal method. During the synthesis, both the reduction of GO and growth of metal oxides took place simultaneously. The as-prepared composite material was highly selective for the liquid-phase oxidation of p-cresol to form p-hydroxybenzaldehyde in 71\% yield within 1h. The composite material was characterised by SEM, X-ray photoelectron spectroscopy, high-resolution TEM and cyclic voltammetry (CV). A CV study revealed that the increase in the redox potential of the mixed oxide after being supported on GO, led to its higher activity of the catalyst for the oxidation reaction. The stability of the catalyst under the reaction conditions was studied by its successful reuse in three cycles.
}, keywords = {cyclic voltammetry, graphene, Oxidation, supported catalysts, transition metals}, issn = {2192-6506}, doi = {10.1002/cplu.201500053}, author = {Jha, Ajay and Patil, Sagar H. and Solanki, Bhanu P. and Ribeiro, Ana P. C. and Castro, Carlos A. N. and Patil, Kashinath R. and Coronas, Alberto and Rode, Chandrashekhar V.} } @article { ISI:000360025100006, title = {Reduction of graphene oxide by 100 MeV Au ion irradiation and its application as H2O2 sensor}, journal = {Journal of Physics D-Applied Physics}, volume = {48}, number = {36}, year = {2015}, month = {SEP}, pages = {365105}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Graphene oxide (GO) synthesized from a modified Hummer{\textquoteright}s method was reduced (referred, rGO) by using 100 MeV Au ion species and its response to the sense H2O2 was investigated. The changes in the atomic composition and structural properties of rGO after irradiation were studied using x-ray diffraction, Fourier transform infrared spectroscopy and x-ray photoelectron spectroscopy. These results suggested that the removal of the oxygen-containing functional groups and the improvement of the electrochemical performance of reduced graphene oxide (rGO) after ion irradiation. Raman spectroscopic results revealed the increase in the disorder parameter (I-D/I-G) after Au ion irradiation and also the formation of a large number of small sp(2) domains due to the electronic energy loss of ion beam. The resultant rGO was investigated for H2O2 sensing using electrochemical techniques and it showed a good response.
}, keywords = {electronic energy loss, GO, ion beam irradiation, reduction}, issn = {0022-3727}, doi = {10.1088/0022-3727/48/36/365105}, author = {Hareesh, K. and Joshi, R. P. and Shateesh, B. and Asokan, K. and Kanjilal, D. and Late, Dattatray J. and Dahiwale, S. S. and Bhoraskar, Vasant N. and Haram, Santosh K. and Dhole, Sanjay D.} } @article { ISI:000365222000045, title = {Regioselective and diastereoselective iodocyclization reaction of alkene-thioureas: an efficient approach to bicyclic beta-lactams}, journal = {New Journal of Chemistry}, volume = {39}, number = {12}, year = {2015}, month = {SEP}, pages = {9422-9428}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Bicyclic beta-lactams, i.e. 3-thia-1-dethiacephams, were synthesized via a highly regioselective and diastereoselective iodocyclization reaction of alkene-thioureas with molecular iodine. Furthermore, the structure of 3-thia-1-dethiacepham was confirmed by a chemical method, the dehydrohalogenation reaction using DBU.
}, issn = {1144-0546}, doi = {10.1039/c5nj01963j}, author = {Garud, Dinesh R. and Sonawane, Amol D. and Auti, Jyoti B. and Rode, Navnath D. and Ranpise, Vinod R. and Joshi, Rohini R. and Joshi, Ramesh A.} } @article { ISI:000354188800009, title = {Relativistic equation-of-motion coupled-cluster investigation of the trends of single and double ionization potentials in the He and Be isoelectronic systems}, journal = {Journal of Physics B-Atomic Molecular and Optical Physics}, volume = {48}, number = {11}, year = {2015}, month = {JUN}, pages = {115009}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
We employ a four-component spinor relativistic equation-of-motion coupled-cluster (EOMCC) method within the single-and double-excitation approximation to calculate the single ionization potentials (IPs) and double ionization potentials (DIPs) of the He and Be isoelectronic sequences up to Ne. The obtained results are compared with the available results from the National Institute of Standards and Technology (NIST) database to test the performance of the EOMCC method. We also present intermediate results at different levels of approximations in the EOMCC framework to gain insight of the effect of electron correlation. Furthermore, we investigate the dependence of the IPs and DIPs of these ions on the ionic charge and observe that these follow parabolic trends. Similarities between the trends of IPs and DIPs in both the classes of considered systems are categorically demonstrated.
}, keywords = {coupled-cluster method, double ionization potentials, equation-of-motion theory}, issn = {0953-4075}, doi = {10.1088/0953-4075/48/11/115009}, author = {Pathak, Himadri and Sahoo, B. K. and Sengupta, Turbasu and Das, B. P. and Vaval, Nayana and Pal, Sourav} } @article {42629, title = {Relativistic extended coupled cluster method for magnetic hyperfine structure constant}, journal = {Physical Review A}, volume = {91}, year = {2015}, month = {FEB}, pages = {Article No. 022512}, type = {Article}, doi = {10.1103/PhysRevA.91.022512}, author = {Sasmal, Sudip and Pathak, Himadri and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {43312, title = {Release of a guest by disassembling a capsule through a photo triggering process}, journal = {Organic Letters}, volume = {15}, year = {2015}, month = {JAN}, pages = {4374 - 4377}, author = {Nithyanandhan, Jayaraj and Jagadesan, P. and Samanta, S. R. and Da Silva, J. P. and Ramamurthy, V.} } @article { ISI:000363949300020, title = {Removal of methylene blue (MB) dye from water environment by processed Jowar Stalk [Sorghum bicolor (L.) Moench] adsorbent}, journal = {Clean Technologies and Environmental Policy}, volume = {17}, number = {8}, year = {2015}, month = {DEC}, pages = {2349-2359}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The present paper discusses the results of the study of adsorption of methylene blue on activated carbon, derived from cheap and abundantly available agro-residue of Jowar Stalk (JS) [Sorghum bicolor (L.) Moench] on suitable heat and acid treatment. The physico-chemical and morphological characteristics of processed carbon of JS origin were studied using X-ray diffraction, scanning electron microscopy, Brunauer, Emmett and Teller surface area, and Fourier transform infrared spectrophotometry analyses. The batch studies revealed optimum values of adsorption parameters such as pH, adsorbent dosage, agitation speed, grain size, temperature, and contact time as 7, 1.5 g l(-1), 200 rpm, finer than 75 A mu m, 30 A degrees C, and 7 h, respectively. The adsorption isotherm data were best described by Langmuir isotherm model with a maximum adsorption capacity of 176.05 mg MB g(-1) JS activated carbon at 30 A degrees C, which is higher than that available with adsorbents used by past researchers. In terms of cost-effectiveness, JS carbon shows its superiority over commercially available carbon.
}, keywords = {Adsorption, Isotherms, kinetics, Methylene blue, Processed Jowar Stalk [Sorghum bicolor (L.) Moench]}, issn = {1618-954X}, doi = {10.1007/s10098-015-0977-y}, author = {Dod, Ramesh and Banerjee, Goutam and Saini, D. R.} } @article { ISI:000350685400013, title = {Renewable fuels from biomass-derived compounds: Ru-containing hydrotalcites as catalysts for conversion of HMF to 2,5-dimethylfuran}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {3}, year = {2015}, month = {MAR}, pages = {1463-1472}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Production of transportation fuels from renewable biomass is hugely important considering the current ecological concerns over CO2 built up in the atmosphere. Ruthenium-containing hydrotalcite (HT) catalysts were applied for the selective hydrogenolysis of biomass-derived 5-hydroxymethylfurfural (HMF) to 2,5-dimethylfuran (DMF). Structural and morphological features of the catalysts were examined using various physico-chemical characterization techniques. The influence of various reaction parameters, such as reaction temperature, solvent, Ru content of the catalyst, etc., was investigated with respect to HMF conversion and DMF yield. The study clearly shows that well-dispersed Ru nanoparticles are highly active and selective in the conversion of HMF to DMF. A catalyst containing only 0.56 wt\% Ru converted 100 mol\% HMF to yield 58 mol\% DMF. This catalyst was found to be recyclable as the activity was retained even after five cycles of reaction. 2-Propanol was found to be a good solvent as it helped to improve DMF yield through transfer hydrogenation. Based on the results of the investigations, a reaction pathway for the conversion of HMF to DMF was proposed for the present Ru-based catalyst system.
}, issn = {2044-4753}, doi = {10.1039/c4cy01376j}, author = {Nagpure, Atul S. and Venugopal, Ashok Kumar and Lucas, Nishita and Manikandan, Marimuthu and Thirumalaiswamy, Raja and Chilukuri, Satyanarayana V.} } @article { ISI:000350674400031, title = {Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {10}, year = {2015}, month = {MAR}, pages = {3064-3069}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This communication depicts an intriguing example of hydrogen-bonding reversal upon introduction of a sulfonamide linkage at the N-terminus of a synthetic reverse-turn peptide motif. The ready availability of two sulfonyl oxygen atoms, as hydrogen-bonding acceptors, combined with the inherent twisted conformation of sulfonamides are seen to act as switches that engage/disengage the hydrogen-bond at the sticky ends/termini.
}, issn = {1477-0520}, doi = {10.1039/c4ob02438a}, author = {Vijayadas, Kuruppanthara N. and Kotmale, Amol S. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Nair, Roshna V. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000364933100004, title = {Reversed reactivity of anilines with alkynes in the rhodium-catalysed C-H activation/carbonylation tandem}, journal = {Nature Communications}, volume = {6}, year = {2015}, month = {OCT}, pages = {Article Number: 8591}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
Development of multicatalytic approach consisting of two or more mechanistically distinct catalytic steps using a single-site catalyst for rapid and straightforward access of structurally complex molecules under eco-benign conditions has significance in contemporary science. We have developed herein a rhodium-catalysed C-H activation strategy which uses an unprotected anilines and an electron-deficient alkynes to C-C bonded products as a potential intermediate in contrast to the archetypical C-N bonded products with high levels of regioselectivity. This is followed by carbonylation of C-H bond activated intermediate and subsequent annulation into quinolines has been described. This rhodium-catalysed auto-tandem reaction operates under mild, environmentally benign conditions using water as the solvent and CO surrogates as the carbonyl source with the concomitant generation of hydrogen gas. The strategy may facilitate the development of new synthetic protocols for the efficient and sustainable production of chemicals in an atom-economic way from simple, abundant starting materials.
}, issn = {2041-1723}, doi = {10.1038/ncomms9591}, author = {Midya, Siba Prasad and Sahoo, Manoj Kumar and Landge, Vinod Gokulkrishna and Rajamohanan, P. R. and Balaraman, Ekambaram} } @article {42697, title = {Reverse-hydroformylation: a missing reaction explored}, journal = {Organic Chemistry Frontiers}, volume = {2}, year = {2015}, month = {AUG}, pages = {1422-1424}, abstract = {
Recent progress in transition-metal catalysed acceptor- and acceptorless-reverse hydroformylation of aldehydes for the conversion of olefins has been discussed. The aldehyde feedstock serves as a source for production of syngas and valuable alkenes.
}, doi = {10.1039/C5QO00229J}, author = {Nandakumar, Avanashiappan and Sahoo, Manoj Kumar and Balaraman, Ekambaram} } @article { ISI:000355889800021, title = {Review of the hydrate based gas separation (HBGS) process for carbon dioxide pre-combustion capture}, journal = {Energy}, volume = {85}, year = {2015}, month = {JUN}, pages = {261-279}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In this work, a systematic review of the literature work done so far on the use of hydrate crystallization as a basis to develop data for the hydrate based gas separation (HBGS) process for the capture of CO2 from fuel gas mixtures is presented. Such a gas mixture may arise in integrated gasification combined cycle (IGCC) power plants. A thorough assessment of the thermodynamic, kinetic factors and economic aspects of the HBGS process and critical comments are presented. Compared with competing technologies, high CO2 capacity and the use of water as a solvent are key advantages for the HBGS process for CO2 capture. Furthermore, in this review, a snapshot of the current state-of-the-art is presented and further research and development opportunities and pathways for commercializing the HBGS process for pre-combustion capture of CO2 from IGCC power plants are discussed. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon dioxide capture, Clathrate process, Gas hydrates, Gas separation, IGCC plants, Pre-combustion capture}, issn = {0360-5442}, doi = {10.1016/j.energy.2015.03.103}, author = {Babu, Ponnivalavan and Linga, Praveen and Kumar, Rajnish and Englezos, Peter} } @article { ISI:000365462600035, title = {Rh-catalyzed synthesis of coumarin derivatives from phenolic acetates and acrylates via C-H bond activation}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {22}, year = {2015}, month = {NOV}, pages = {11544-11550}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An efficient annulation strategy involving the reaction of phenolic acetates with acrylates in the presence of [Rh-2(OAc)(4)] as catalyst and formic acid as reducing agent, leading to the high yield synthesis of coumarin derivatives, has been developed. The addition of NaOAc as a base increased the yield of the products. The reaction is quite Successful for both electron rich as well as electron deficient phenolic acetates, affording coumarins with excellent regioselectivity, and proceeds via, C-H bond activation proven by deuterium incorporation studies.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b01713}, author = {Gadakh, Sunita K. and Dey, Soumen and Sudalai, Arumugarn} } @article { ISI:000356305300034, title = {Rhodium complex with unsymmetrical vicinal diamine ligand: excellent catalyst for asymmetric transfer hydrogenation of ketones}, journal = {RSC Advances}, volume = {5}, number = {64}, year = {2015}, month = {JUN}, pages = {51722-51729}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
New unsymmetrical vicinal diamine ligands with systematic variation in the regio and stereo positions in the amine and sulphonamide groups were synthesized from cheap starting material such as norephedrine. Catalytic Asymmetric Transfer Hydrogenation (ATH) of aromatic alkyl ketones has been investigated using transition metal complexes and new derivatives of monotosylated unsymmetrical vicinal diamine ligands using sodium formate as the hydrogen source, in water and methanol. Chiral secondary alcohols were obtained with excellent enantioselectivity (\>95\% ee) and conversion of ketones (\>95\%) with [Rh(Cp*)Cl-2](2) and ligand 4 as a catalyst. Enantioselectivity was found to be slightly higher with the use of methanol as a solvent for ATH of ketones with sodium formate as the hydrogen source compared to water as a solvent and was found to be consistent with all the ketones investigated. The reaction mixture is homogeneous in methanol unlike in water, where substrate and product are insoluble in water and form separate phase, sodium formate being soluble in water. The activity and enantioselectivity obtained for ATH of ketones using [Rh(Cp*)Cl-2](2) and unsymmetrical vicinal diamine ligand as catalyst was comparable with the C2 symmetric benchmark ligands like TsDPEN ((1R, 2R)-N-(p-tolylsulfonyl)-1,2-diphenylethylene- diamine), and TsCYDN ((1R, 2R)-N-(p-tolylsulfonyl)-1,2-cyclohexyl, diamine) under similar reaction conditions. To the best of our knowledge, this is first example of the ATH of ketones with good activity and high enantioselectivity with [Rh(Cp*)Cl-2](2) and unsymmetrical vicinal diamine ligands as catalyst systems.
}, issn = {2046-2069}, doi = {10.1039/c5ra08220j}, author = {Deshpande, Sudhindra H. and Shende, Vaishali S. and Shingote, Savita K. and Chakravarty, Debamitra K. and Puranik, Vedavati G. and Chaudhari, Raghunath V. and Kelkar, Ashutosh A.} } @article { ISI:000353689400017, title = {Rifampicin reduces advanced glycation end products and activates DAF-16 to increase lifespan in Caenorhabditis elegans}, journal = {Aging Cell}, volume = {14}, number = {3}, year = {2015}, month = {JUN}, pages = {463-473}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Advanced glycation end products (AGEs) are formed when glucose reacts nonenzymatically with proteins; these modifications are implicated in aging and pathogenesis of many age-related diseases including type II diabetes, atherosclerosis, and neurodegenerative disorders. Thus, pharmaceutical interventions that can reduce AGEs may delay age-onset diseases and extend lifespan. Using LC-MSE, we show that rifampicin (RIF) reduces glycation of important cellular proteins in vivo and consequently increases lifespan in Caenorhabditis elegans by up to 60\%. RIF analog rifamycin SV (RSV) possesses similar properties, while rifaximin (RMN) lacks antiglycation activity and therefore fails to affect lifespan positively. The efficacy of RIF and RSV as potent antiglycating agents may be attributed to the presence of a p-dihydroxyl moiety that can potentially undergo spontaneous oxidation to yield highly reactive p-quinone structures, a feature absent in RMN. We also show that supplementing rifampicin late in adulthood is sufficient to increase lifespan. For its effect on longevity, rifampicin requires DAF-18 (nematode PTEN) as well as JNK-1 and activates DAF-16, the FOXO homolog. Interestingly, the drug treatment modulates transcription of a different subset of DAF-16 target genes, those not controlled by the conserved Insulin-IGF-1-like signaling pathway. RIF failed to increase the lifespan of daf-16 null mutant despite reducing glycation, showing thereby that DAF-16 may not directly affect AGE formation. Together, our data suggest that the dual ability to reduce glycation in vivo and activate prolongevity processes through DAF-16 makes RIF and RSV effective lifespan-extending interventions.
}, keywords = {advanced glycation end products, aging, Caenorhabditis elegans, DAF-16, Glycation, lifespan, rifampicin}, issn = {1474-9718}, doi = {10.1111/acel.12327}, author = {Golegaonkar, Sandeep and Tabrez, Syed S. and Pandit, Awadhesh and Sethurathinam, Shalini and Jagadeeshaprasad, Mashanipalya G. and Bansode, Sneha B. and Sampathkumar, Srinivasa-Gopalan and Kulkarni, Mahesh J. and Mukhopadhyay, Arnab} } @article { ISI:000366339300003, title = {RNA stem-loop to G-quadruplex equilibrium controls mature MicroRNA production inside the cell}, journal = {Biochemistry}, volume = {54}, number = {48}, year = {2015}, month = {DEC}, pages = {7067-7078}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The biological role of the existence of overlapping structures in RNA is possible yet remains very unexplored. G-Rich tracts of RNA form G-quadruplexes, while GC-rich sequences prefer stem-loop structures. The equilibrium between alternate structures within RNA may occur and influence its functionality. We tested the equilibrium between G-quadruplex and stem-loop structure in RNA and its effect on biological processes using pre-miRNA as a model system. Dicer enzyme recognizes canonical stem-loop structures in pre-miRNA to produce mature miRNAs. Deviation from stem-loop leads to deregulated mature miRNA levels, providing readout of the existence of an alternate structure per se G-quadruplex-mediated structural interference in miRNA maturation. In vitro analysis using beacon and Dicer cleavage assays indicated that mature miRNA levels depend on relative amounts of K+: and Mg2+ ions, suggesting an ion-dependent structural shift. Further in cellulo studies with and without TmPyP4 (RNA G-quadruplex destabilizer) demonstrated that miRNA biogenesis is modulated by G-quadruplex to stem-loop equilibrium in a subset of pre-miRNAs. Our combined analysis thus provides evidence of the formation of noncanonical G-quaciruplexes in competition with canonical stem-loop structure inside the cell and its effect on miRNA maturation in a comprehensive manner.
}, issn = {0006-2960}, doi = {10.1021/acs.biochem.5b00574}, author = {Pandey, Satyaprakash and Agarwala, Prachi and Jayaraj, Gopal Gunanathan and Gargallo, Raimundo and Maiti, Souvik} } @article { ISI:000350116200014, title = {Robustness screen in enantioselective catalysis enabled generation of enantioenriched heterocyclic scaffolds in one pot}, journal = {Chemistry-A European Journal}, volume = {21}, number = {9}, year = {2015}, month = {FEB}, pages = {3580-3584}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Enantioselective catalysis has emerged as a powerful synthetic paradigm and has accelerated the development of new methods to make diverse chiral molecules. Generally, these reactions are very sensitive to the steric and electronic environment present in the catalyst as well as the substrates. With this scenario, the presence of an additional component in the reaction mixture is expected to add complexity in achieving the enantioselective variants. Herein, we report that various enantioenriched molecules could be obtained from multiple starting materials in one pot. The reaction of aminoaromatics A with alkynols B-1, B-2, B-3...B-n with a Au-I/chiral BrOnsted acid catalyst afforded AB(1)*, AB(2)*, AB(3)*...AB(n)*; while, the reaction of alkynols B with aminoaromatics A(1), A(2), A(3)...A(n) under the same reaction conditions gave A(1)B*, A(2)B*, A(3)B*...A(n)B*.
}, keywords = {chiral Bronsted acid, Enantioselectivity, Gold, molecular scaffolds, robustness screen}, issn = {0947-6539}, doi = {10.1002/chem.201406045}, author = {Bagle, Pradip N. and Shinde, Valmik S. and Patil, Nitin T.} } @article {45930, title = {Role of aliovalent cation doping in the activity of nanocrystalline CdS for visible-light-driven H-2 production from water}, journal = {International Journal of Hydrogen Energy}, volume = {40}, year = {2015}, month = {JUL }, pages = {8695-8705}, type = {Article}, abstract = {
This study was aimed at discerning the enhancement in the visible-light-driven water splitting activity of nanocrystalline CdS photocatalysts because of their doping with a small amount of an aliovalent cation (Ag+ or Cr3+). The CdS/Cr-x (x = 0-2.3 wt\%) and CdS/Ag-x (x = 0-1.5 wt\%) samples, which were synthesized using a one-step hydrothermal method, were characterized systematically for their crystallographic, morphological, interfacial, and photo-physical properties. The Rietveld refinement of the powder X-ray diffraction data enabled us to quantify the doping-effect on the phase composition and lattice parameters. As compared to pure CdS, the samples containing similar to 0.2 wt\% of Cr or Ag showed two or tenfold enhancement in the rate of H-2 evolution from water, respectively, when sulfide-sulfite ions were used as sacrificial electron donors. This pyramidal trend, i.e. maximum activity for a specific impurity content, which decreased on decreasing as well as increasing the amount of doping, did not occur owing to the presence of a secondary-phase metal sulfide or a dispersed metal cocatalyst. Our study revealed that instead of the widely advocated mechanism involving inter-semiconductor or semiconductor-to-metal electron transfer steps, the doping-modified photoactivity of CdS was governed by certain bulk and surface properties such as the cation-dependent particle nucleation, dominance of hex-CdS facets, and structural defects. Additionally, impurity-induced sub-bandgap charge-trapping states also contributed to the overall quantum efficiency. Copyright (C) 2015, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2015.05.019}, author = {Korake, Prakash V. and Achary, Srungarpu N. and Gupta, Narendra M.} } @article { ISI:000360934800003, title = {Role of chemical reactivity and transition state modeling for virtual screening}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {7}, year = {2015}, month = {JAN}, pages = {638-657}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Every drug discovery research program involves synthesis of a novel and potential drug molecule utilizing atom efficient, economical and environment friendly synthetic strategies. The current work focuses on the role of the reactivity based fingerprints of compounds as filters for virtual screening using a tool ChemScore. A reactant-like (RLS) and a product-like (PLS) score can be predicted for a given compound using the binary fingerprints derived from the numerous known organic reactions which capture the molecule-molecule interactions in the form of addition, substitution, rearrangement, elimination and isomerization reactions. The reaction fingerprints were applied to large databases in biology and chemistry, namely ChEMBL, KEGG, HMDB, DSSTox, and the Drug Bank database. A large network of 1113 synthetic reactions was constructed to visualize and ascertain the reactant product mappings in the chemical reaction space. The cumulative reaction fingerprints were computed for 4000 molecules belonging to 29 therapeutic classes of compounds, and these were found capable of discriminating between the cognition disorder related and anti-allergy compounds with reasonable accuracy of 75\% and AUC 0.8. In this study, the transition state based fingerprints were also developed and used effectively for virtual screening in drug related databases. The methodology presented here provides an efficient handle for the rapid scoring of molecular libraries for virtual screening.
}, keywords = {fingerprints, intermediates, metabolic pathways, product-like score, reactant-like score, reaction, screening, synthesis, virtual screening}, issn = {1386-2073}, doi = {10.2174/1386207318666150703113135}, author = {Karthikeyan, Muthukumarasamy and Vyas, Renu and Tambe, Sanjeev S. and Radhamohan, Deepthi and Kulkarni, Bhaskar D.} } @article { ISI:000360934800001, title = {Role of data and methods in chemoinformatics for virtual screening}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {7}, year = {2015}, month = {JAN}, pages = {622-623}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, issn = {1386-2073}, doi = {10.2174/138620731807150903101821}, author = {Karthikeyan, Muthukumarasamy and Vyas, Renu} } @article { ISI:000358395100008, title = {Role of interfacial tension of solvating diluents and hydrophilic-hydrophobic cross-linkers in hyper-cross-linked solid supports}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {27}, year = {2015}, month = {JUL}, pages = {6893-6901}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The properties of a hyper-cross-linked solid support are the outcome Of the interfacial tension created by solvating/nonsolvating diluents, the hydrophilicity/hydrophobicity of the cross-linkers, and their concentrations. Interestingly, a More hydrophobic diluent and cross-linker as well as a higher concentration of cross-linker-containing copolymer revealed an increase In surface area. A high surface area and low cross-link density (CLD) polymer illustrated higher epoxy content. Importantly, maximum surface area (533 m(2)/g) Was obtained at high CLD; inversely, epoxy,content (1.83 mmol/g) was higher at low CLD polymer. Notably, greater rigidity of cross-linker and its higher concentration increased T-max and T-g; contrarily, greater flexibility of cross-linker and its concentration attenuated T-max and T-g. Thermal study demonstrated the thermostability (300 degrees C) and polymer safe temperature (220 degrees C). Indeed, a lower solubility parameter difference between polymer and swelling solvent produces a higher polymer-solvent interaction parameter, resulting in increased polymer swelling. Polymers with high surface area and low CLD demonstrated greater swelling behavior.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b01277}, author = {Mane, Sachin and Ponrathnam, Surendra and Chavan, Nayaku} } @inbook { ISI:000350416600017, title = {Role of lipid-mediated effects in beta(2)-adrenergic receptor dimerization}, booktitle = {biochemical roles of eukaryotic cell surface macromolecules}, series = {Advances in Experimental Medicine and Biology}, volume = {842}, year = {2015}, pages = {247-261}, publisher = {Springer-Verlag Berlin}, organization = {Springer-Verlag Berlin}, address = {Heidelberger Platz 3, D-14197 Berlin, Germany :}, isbn = {978-3-319-11280-0; 978-3-319-11279-4}, issn = {0065-2598}, doi = {10.1007/978-3-319-11280-0_16}, author = {Prasanna, Xavier and Chattopadhyay, Amitabha and Sengupta, Durba}, editor = {Chakrabarti, A. and Surolia, A.} } @article { ISI:000360026900051, title = {Role of metallic packing and kinetic promoter in designing a hydrate-based gas separation process}, journal = {Energy \& Fuels}, volume = {29}, number = {7}, year = {2015}, note = {2nd International Conference Biogas Science, Vienna, AUSTRIA, 2014}, month = {JUL}, pages = {4463-4471}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In the present work, kinetics of the hydrate-based gas separation (HBGS) process has been studied employing an unstirred reactor configuration. Gas uptake measurements were carried out for studying hydrate formation kinetics and final water to hydrate conversion using fuel gas mixtures (mixture 1, 40.4\% CO2 + 59.6\% H-2; mixture 2, 40.9\% CO2 + 58.05\% H-2 + 1.05\% H2S). Silica sand and stainless-steel-structured packing (SSP) were used as contact media in the presence of an anionic surfactant sodium dodecyl sulfate (SDS) as a kinetic promoter. Experiments were conducted with three different concentrations of SDS in water to enhance hydrate formation kinetics. On the basis of induction time and rate of hydrate growth, 1 wt \% SDS was determined to be the best concentration for carbon dioxide capture at 7.0 MPa and 273.65 K from the CO2 + H-2 gas mixture. In comparison to silica sand packing, use of SSP was found to improve the final water to hydrate conversion (71.0 +/- 4.1\%). The addition of H2S impurity in the fuel gas mixture was also found to enhance the rate of hydrate formation in the presence of SDS at 7.8 MPa and 274.5 K. On the basis of the experimental results and our previous studies on separation efficiency, a continuous HBGS process is proposed to separate CO2 and produce CO2- and H2S-free H-2 stream from a fuel gas mixture.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.5b00664}, author = {Kumar, Asheesh and Kumar, Rajnish} } @article { ISI:000368436000017, title = {Role of methyl jasmonate in the expression of mycorrhizal induced resistance against Fusarium oxysporum in tomato plants}, journal = {Physiological and Molecular Plant Pathology}, volume = {92}, year = {2015}, month = {OCT}, pages = {139-145}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {
Arbuscular mycorrhiza (AM) colonization led to a decrease in the severity of fusarium wilt disease caused by Fusarium oxysporum f. sp. lycopersici in tomato plants. The involvement of two plant defense hormones, namely methyl jasmonate (MeJA) and salicylic acid (SA), in the expression of mycorrhiza induced resistance (MIR) against this vascular pathogen was studied in the AM colonized and non-colonized (controls) plants. Activity of lipoxygenase (LOX), which plays a role in jasmonic acid (JA) biosynthesis, as well as levels of methyl jasmonate (MeJA) increased in AM colonized plants as compared to controls, but did not show any further changes in response to F. oxysporum inoculation. On the other hand, activity of phenylalanine ammonia lyase (PAL), which is an enzyme from salicylic acid (SA) biosynthetic pathway, as well as SA levels, increased in both controls and AM colonized plants in response to application of F. oxysporum spores. Hence the JA and not the SA signalling pathway appeared to play a role in the expression of MIR against this vascular pathogen. The resistance observed in AM colonized plants was completely compromised when plants were treated with the JA biosynthesis inhibitor salicylhydroxamic acid (SHAM). This confirmed that the AM-induced increase in JA levels was involved in the expression of resistance toward F. oxysporum. The SA response gene pathogenesis-related 1 (PR1) showed an increased expression in response to F. oxysporum infection in SHAM treated AM colonized plants as compared to plants that were not treated with this JA inhibitor. This suggested the possibility that JA inhibited SA responses, at least in the roots. AM colonization therefore appeared to prime plants for improved tolerance against the vascular pathogen F. oxysporum, which was mediated through the JA signalling pathway. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Fusarium wilt, Glomus fasciculatum, Methyl jasmonate, Mycorrhiza induced resistance, Salicylic acid, Tomato}, issn = {0885-5765}, doi = {10.1016/j.pmpp.2015.10.002}, author = {Nair, Aswathy and Kolet, Swati P. and Thulasiram, Hirekodathakallu V. and Bhargava, Sujata} } @article { ISI:000354199900018, title = {Role of N-terminal proline in stabilizing the Ant-Pro zipper motif}, journal = {New Journal of Chemistry}, volume = {39}, number = {5}, year = {2015}, month = {MAR}, pages = {3327-3332}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Hetero-chiral hybrid peptides of the general sequence (L)alpha beta(D)(n)alpha beta(n) featuring proline (Pro, a constrained alpha-amino acid) and anthranilic acid (Ant, a constrained beta-amino acid) as building blocks, where n = 2, 4 etc., form a three-dimensional zipper-like architecture. These zipper peptides attain stable conformation by balancing the co-operative contribution of two competing non-covalent forces, namely hydrogen bonding and aromatic stacking. However, the selection of the N-terminal residue also stands to be one of the key contributors in stabilising the unusually long-range intramolecular hydrogen bond, featuring 26 atoms in the H-bonded ring observed at the termini. This article deals with the substitution alterations at the N-terminus of the zipper motif and their consequent influences on its structure and stability. In this study, the N-terminal Pro residue of the zipper motif was substituted with a flexible amino acid, alanine, and a constrained acyclic amino acid, 2-aminoisobutyric acid, to investigate the role of N-terminal proline in stabilizing the Ant-Pro zipper motif, and its stabilities were assessed by employing solution-state NMR and restrained MD simulation studies.
}, issn = {1144-0546}, doi = {10.1039/c4nj02151g}, author = {Kheria, Sanjeev and Nair, Roshna V. and Kotmale, Amol S. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000360934400002, title = {Role of open source tools and resources in virtual screening for drug discovery}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {6}, year = {2015}, month = {JUL}, pages = {528-543}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Advancement in chemoinformatics research in parallel with availability of high performance computing platform has made handling of large scale multi-dimensional scientific data for high throughput drug discovery easier. In this study we have explored publicly available molecular databases with the help of open-source based integrated in-house molecular informatics tools for virtual screening. The virtual screening literature for past decade has been extensively investigated and thoroughly analyzed to reveal interesting patterns with respect to the drug, target, scaffold and disease space. The review also focuses on the integrated chemoinformatics tools that are capable of harvesting chemical data from textual literature information and transform them into truly computable chemical structures, identification of unique fragments and scaffolds from a class of compounds, automatic generation of focused virtual libraries, computation of molecular descriptors for structure-activity relationship studies, application of conventional filters used in lead discovery along with in-house developed exhaustive PTC (Pharmacophore, Toxicophores and Chemophores) filters and machine learning tools for the design of potential disease specific inhibitors. A case study on kinase inhibitors is provided as an example.
}, keywords = {Chemoinformatics, kinases, open source, scaffold, virtual screening}, issn = {1386-2073}, doi = {10.2174/1386207318666150703111911}, author = {Karthikeyan, Muthukumarasamy and Vyas, Renu} } @article { ISI:000366878100001, title = {Role of surfactants in promoting gas hydrate formation}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {49}, year = {2015}, month = {DEC}, pages = {12217-12232}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Gas hydrates have been proposed as a potential technology for a number of applications, such as separation of gas mixtures, CO2 capture, transportation, and sequestration, methane storage and transport, and seawater desalination. Most of these applications will benefit from reduced induction time of hydrate nucleation, enhanced hydrate growth rate, and maximum water-to-hydrate conversion. The addition of surfactants to the gas-water system serves this purpose in a very effective manner. This review focuses on different surfactants that were utilized for gas hydrate formation studies; insights have been provided on the possible mechanisms of action through which these surfactants affect hydrate formation kinetics. A thorough analysis of the existing literature on surfactants suggests that enhanced rate of hydrate nucleation and growth kinetics may not be directly linked to micelle formation. Conversely, reduced surface tension in the presence of surfactants not only enhances the mass transfer but also changes the morphology of hydrate formation, which in turn enhances gas-water interactions for faster hydrate growth rate.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b03476}, author = {Kumar, Asheesh and Bhattacharjee, Gaurav and Kulkarni, B. D. and Kumar, Rajnish} } @article { ISI:000355985200027, title = {Role of the molecular structure of carboxylate-alumoxanes in the enhanced nucleation of polypropylene}, journal = {Chemical Communications}, volume = {51}, number = {49}, year = {2015}, month = {MAY}, pages = {10026-10029}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We have reported the use of carboxylate-alumoxanes as efficient nucleating agents for isotactic polypropylene (iPP) with a possible structural correlation to the nucleation efficiency. The unique, butterfly-like structure of carboxylate-alumoxanes correlates well with the nucleation characteristics of iPP and, for the first time, the impact of a thermally induced, crystalline transition of carboxylate-alumoxanes, which alters neither the structural conformation nor the nucleation efficiency of the transformed material, is demonstrated.
}, issn = {1359-7345}, doi = {10.1039/c5cc01327e}, author = {Mani, Mohan Raj and Chellaswamy, Ramesh and Marathe, Yogesh N. and Pillai, Vijayamohanan K.} } @article { ISI:000359654100006, title = {Role of tumor cell surface lysosome-associated membrane protein-1 (LAMP1) and its associated carbohydrates in lung metastasis}, journal = {Journal of Cancer Research and Clinical Oncology}, volume = {141}, number = {9}, year = {2015}, month = {SEP}, pages = {1563-1574}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Expression of lysosome-associated membrane protein-1 (LAMP1) on the surface correlates with metastatic potential of B16 melanoma cells. Downregulation of their expression in high metastatic (B16F10) cells reduced their surface expression and metastatic potential. Present investigations explore if overexpression of LAMP1 on the surface of low metastatic (B16F1) cells augment their metastatic ability, and if so, how? B16F1 cells were transduced with lentiviral vector carrying mutant-LAMP1 (Y386A) (mutLAMP1). Surface expression of LAMP1 and carbohydrates was analyzed by flow cytometry, immunofluorescence and/or immunoprecipitation and Western blotting. Cell spreading and motility were assessed on components of extracellular matrix (ECM) (fibronectin) and basement membrane (BM) (matrigel), and galectin-3-coated coverslips/plates. Metastatic potential was assessed using experimental metastasis assay. Pre-incubation with anti-LAMP1 antibodies significantly reduced lung metastasis of B16F10 cells. Overexpression of mutLAMP1 significantly increased its surface expression on B16F1 cells, resulting in increased cellular spreading and motility on fibronectin and matrigel. LAMP1 is the major carrier of poly-N-acetyllactosamine (polyLacNAc) on B16F10 cells. However, significantly higher expression of mutLAMP1 had no effect on galectin-3 binding on cell surface or on spreading or motility of cells on galectin-3-coated coverslips/plates. These cells also failed to show any gain in metastatic ability. This could be because LAMP1 from these cells carried significantly lower levels of polyLacNAc in comparison with B16F10 cells. PolyLacNAc on B16F10 cells and galectin-3 on lungs are the major participants in melanoma metastasis. Although surface LAMP1 promotes interactions with organ ECM and BM, carbohydrates on LAMP1 play a decisive role in dictating lung metastasis.
}, keywords = {6 branched N-oligosaccharides, beta 1, Cell surface LAMP1, Galectin-3, Motility, Organ-specific metastasis, Poly-N-acetyllactosamine}, issn = {0171-5216}, doi = {10.1007/s00432-015-1917-2}, author = {Agarwal, Akhil Kumar and Srinivasan, Nithya and Godbole, Rashmi K. and More, Shyam K. and Budnar, Srikanth and Gude, Rajiv P. and Kalraiya, Rajiv D.} } @article {42984, title = {Rottlerin derivatives and other compounds from mallotus philippinensis fruits and their potential antimycobactrial activity}, journal = {Planta Medica Letters}, volume = {2}, year = {2015}, month = {JUN}, pages = {e28-e30}, abstract = {
The methanolic extract of the fruits of Mallotus philippinensis afforded 13 compounds, 7,11-diketo-lanost-3-ol (1, as acetate), lanosta-8-ene-3β-ol (2, as acetate), pregnenolone (3, as acetate), trans-chalcone (4), kamalachalcone E (5), oleanolic acid (6), gallic acid (7), kaempferol (8), myricetin (9), 1-(5,7-dihydroxy-2,2,6-trimethyl-2 H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one (10), 4'-hydroxyisorottlerin (11), rottlerin (12), and shikimic acid (13). Compound 1 was isolated as a new natural product and its structure was elucidated by 1D and 2D nuclear magnetic resonance analyses including heteronuclear single quantum correlation, heteronuclear multiple-bond correlation, correlation spectroscopy, and nuclear Overhauser effect spectroscopy experiments. All of the isolated compounds were evaluated for their antimycobacterium activity against Mycobacterium tuberculosis H37Ra. Compounds 11 and 12 exhibited promising inhibitory activity with IC50 values of 0.89 {\textpm} 0.33 {\textmu}g/mL (MIC 2.06 {\textpm} 0.41 {\textmu}g/mL) and 7.59 {\textpm} 0.42 {\textmu}g/mL (MIC 11.56 {\textpm} 0.35 {\textmu}g/mL), respectively.
}, doi = {10.1055/s-0035-1557793}, author = {Bhardwaj, Rima and Chinchansure, Ashish A. and Kulkarni, Roshan R. and Arkile, Manisha A. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000356845000002, title = {Ru-catalyzed redox-neutral cleavage of the N-O bond in isoxazolidines: isatogens to pseudoindoxyls via a one-pot [3+2]-cycloaddition/N-O cleavage}, journal = {Organic Letters}, volume = {17}, number = {12}, year = {2015}, month = {JUN}, pages = {2870-2873}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A novel metal-catalyzed oxygen atom transfer reaction onto olefins is reported. By taking isatogens as substrates, a one-pot [3 + 2]-cycloaddition of nitrone with olefins followed by the Ru-catalyzed redox-neutral N-O bond cleavage of intermediate isoxazolidine has been executed as a simple method for the synthesis of 2,2-disubstituted pseudoindoxyls.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00837}, author = {Kumar, Chepuri V. Suneel and Ramana, Chepuri V.} } @article { ISI:000365462600036, title = {Ruthenium(II)-catalyzed C3 arylation of 2-aroylbenzofurans with arylboronic acids/aryltrifluoroborates via carbonyl-directed C-H bond activation}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {22}, year = {2015}, month = {NOV}, pages = {11551-11558}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The Ru(II)-catalyzed carbonyl-directed C-H activation with (hetero)arylboron reagents has been executed for the synthesis of 2-aroyl-3-(hetero)arylbenzofurans. A hypothesis founded upon the involvement Of an active carbonatoruthenium(II) complex for a coordinative insertion and the aerobic oxidation of the in situ generated Ru(0) to Ru(II), to continue the catalytic cycle, has been extended.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b01932}, author = {Paymode, Dinesh J. and Ramana, Chepuri V.} } @article { ISI:000348358200011, title = {Ruthenium(II)-catalyzed switchable C3-alkylation versus alkenylation with acrylates of 2-pyridylbenzofurans via C-H bond activation}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {1}, year = {2015}, month = {OCT}, pages = {114-117}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We documented an interesting observation of ruthenium (II)-catalyzed benzofuran C-H activation and subsequent functionalization with acrylates that reveals that a simple base can switch the process from alkylation to alkenylation.
}, issn = {2044-4753}, doi = {10.1039/c4cy01268b}, author = {Kommagalla, Yadagiri and Mullapudi, Venkanna Babu and Francis, Fredi and Ramana, Chepuri V.} } @article { ISI:000359951700161, title = {RXR-carbamate - a novel molecular transporter for skin}, journal = {Molecular Therapy}, volume = {23}, number = {1}, year = {2015}, note = {18th Annual Meeting of the American-Society-of-Gene-and-Cell-Therapy (ASGCT), New Orleans, LA, MAY 13-16, 2015}, month = {MAY}, pages = {S64-S64}, publisher = {Amer Soc Gene \& Cell Therapy}, address = {75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA}, issn = {1525-0016}, author = {Natarajan, Poornemaa and Patil, Kiran M. and Vij, Manika and Yadav, Amit K. and Kumar, Vaijayanti A. and Ganguli, Munia and Fernandes, Moneesha} } @article { ISI:000354255400032, title = {SBA-15-oxynitrides as a solid-base catalyst: effect of nitridation temperature on catalytic activity}, journal = {Angewandte Chemie-International Edition}, volume = {54}, number = {20}, year = {2015}, month = {MAY}, pages = {5985-5989}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Solid bases, such as SBA-15-oxynitrides, have attracted considerable interest for potential applications as catalysts in important industrial processes. Reported herein is that by simply tuning the temperature of nitridation (ammonolysis), the catalytic activity of these solid bases can be enhanced. Solid-state NMR spectroscopy and XPS studies provided the reasoning behind this change in activity.
}, keywords = {heterogeneous catalysis, Nanostructures, NMR spectroscopy, photoelectron spectroscopy, solid-state structures}, issn = {1433-7851}, doi = {10.1002/anie.201501015}, author = {Singh, Baljeet and Mote, Kaustubh R. and Gopinath, Chinnakonda S. and Madhu, Perunthiruthy K. and Polshettiwar, Vivek} } @article {45936, title = {Seeded on-surface supramolecular growth for large area conductive donor-acceptor assembly}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {MAY}, pages = {10439-10442}, type = {Article}, abstract = {
Charge transport features of organic semiconductor assemblies are of paramount importance. However, large-area extended supramolecular structures of donor-acceptor combinations with controlled self-assembly pathways are hardly accessible. In this context, as a representative example, seeded on-surface supramolecular growth of tetrathiafulvalene and tetracyano-p-quinodimethane (TTF-TCNQ) using active termini of solution-formed sheaves has been introduced to form an extended assembly. We demonstrate for the first time, the creation of a large-area donor-acceptor assembly on the surface, which is practically very tedious, using a seeded, evaporation-assisted growth process. The excellent molecular ordering in this assembly is substantiated by its good electrical conductivity (similar to 10(-2) S cm(-1)). The on-surface assembly via both internally formed and externally added sheaf-like seeds open new pathways in supramolecular chemistry and device applications.
}, issn = {1359-7345}, doi = {10.1039/c5cc03091a}, author = {Goudappagouda and Chithiravel, Sundaresan and Krishnamoorthy, Kothandam and Gosavi, Suresh W. and Babu, Sukumaran Santhosh} } @article {45887, title = {Selective aerobic oxidation of alcohols over Au-Pd/sodium titanate nanotubes}, journal = {Catalysis Communications}, volume = {58}, year = {2015}, month = {JAN }, pages = {149-153}, type = {Article}, abstract = {
catalytic application of Au-Pd nanoparticles supported on sodium titanate nanotubes (NaTNTs) for liquid-phase aerobic oxidation of alcohols is reported, for the first time. This reaction occurs at 80-120 degrees C, 1 atm and solvent-/alkali-free conditions yielding the corresponding carbonyls in high selectivity. This catalyst was reusable and found to be more active/selective than the corresponding monometallic Au and Pd catalysts and Au-Pd/TiO2. Higher dispersion, smaller particle size and higher amount of electron density at gold are the causes for the superior activity of Au-Pd/NaTNT catalyst. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {aerobic oxidation, Alcohol, Bimetallic Au-Pd catalyst, Sodium titanate nanotubes, TiO2}, issn = {1566-7367}, doi = {10.1016/j.catcom.2014.09.018}, author = {Nepak, Devadutta and Darbha, Srinivas} } @article { ISI:000356201100007, title = {Selective and sensitive sensing of free bilirubin in human serum using water-soluble polyfluorene as fluorescent probe}, journal = {Macromolecules}, volume = {48}, number = {11}, year = {2015}, month = {JUN}, pages = {3449-3461}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The adherence of serum protein on conjugated polymer is a major bottleneck in the application of the latter for selective sensing of small biomolecules in blood serum. In this report, we present new polyfluorenes with d-glucuronic acid appendage that is a nonreceptor for any serum protein, thereby providing a platform for selective sensing of free bilirubin in the clinically relevant range of \<25 to \>50 mu mol/L in human blood serum. The appended d-glucuronic acid formed noncovalent interactions with bilirubin, which in conjunction with favorable spectral overlap between the polymers and bilirubin facilitated efficient FRET process in aqueous solutions. Addition of bilirubin resulted in the quenching of the polyfluorene emission with simultaneous appearance of bilirubin emission exhibiting visual emission color change from blue to light green. The polymer remained stable in serum even under severe basic conditions and exhibited high selectivity with visual sensitivity only toward free bilirubin in human serum in the presence of crucial interferences such as hemoglobin, proteins, biliverdin, glucose, cholesterol, and metal ions. Nanomolar sensing of bilirubin could also be demonstrated successfully using one of the d-glucuronic acid appended polymer (PF-Ph-GlcA), which could sense similar to 150 nm of bilirubin in human serum. The combined role of energy transfer and noncovalent interaction highlights the potential of the new polymer design for highly selective sensing activity in complex biofluids.
}, issn = {0024-9297}, doi = {10.1021/acs.macromol.5b00043}, author = {Senthilkumar, T. and Asha, S. K.} } @article { ISI:000355317200045, title = {Selective inhibition of miR-21 by phage display screened peptide}, journal = {Nucleic Acids Research}, volume = {43}, number = {8}, year = {2015}, month = {APR}, pages = {4342-4352}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {
miRNAs are nodal regulators of gene expression and deregulation of miRNAs is causally associated with different diseases, including cancer. Modulation of miRNA expression is thus of therapeutic importance. Small molecules are currently being explored for their potential to downregulate miRNAs. Peptides have shown to have better potency and selectivity toward their targets but their potential in targeting and modulating miRNAs remain unexplored. Herein, using phage display we found a very selective peptide against pre-miR-21. Interestingly, the peptide has the potential to downregulate miR-21, by binding to pre-miR-21 and hindering Dicer processing. It is selective towards miR-21 inside the cell. By antagonising miR-21 function, the peptide is able to increase the expression of its target proteins and thereby increase apoptosis and suppress cell proliferation, invasion and migration. This peptide can further be explored for its anti-cancer activity in vivo and may be even extended to clinical studies.
}, issn = {0305-1048}, doi = {10.1093/nar/gkv185}, author = {Bose, Debojit and Nahar, Smita and Rai, Manish Kumar and Ray, Arjun and Chakraborty, Kausik and Maiti, Souvik} } @article { ISI:000352905700046, title = {Selective interfacial synthesis of metal-organic frameworks on a polybenzimidazole hollow fiber membrane for gas separation}, journal = {Nanoscale}, volume = {7}, number = {16}, year = {2015}, month = {MAR}, pages = {7291-7298}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Metal-organic frameworks (MOFs) have gained immense attention as new age materials due to their tuneable properties and diverse applicability. However, efforts on developing promising materials for membrane based gas separation, and control over the crystal growth positions on polymeric hollow fiber membranes still remain key challenges. In this investigation, a new, convenient and scalable room temperature interfacial method for growing MOFs (ZIF-8 and CuBTC) on either the outer or inner side of a polybenzimidazole based hollow fiber (PBI-BuI-HF) membrane surface has been achieved in a controlled manner. This was made possible by the appropriate selection of an immiscible solvent pair and the synthetic conditions. The growth of MOFs on the PBI-BuI-HF membrane by the interfacial method was continuous and showed an appreciable gas separation performance, conveying promise for their applicability.
}, issn = {2040-3364}, doi = {10.1039/c5nr00299k}, author = {Biswal, Bishnu P. and Bhaskar, Anand and Banerjee, Rahul and Kharul, Ulhas K.} } @article { ISI:000352448800019, title = {Self-assembled vertically aligned gold nanorod super-lattices for ultra-high sensitive detection of molecules}, journal = {Nano Research}, volume = {8}, number = {3}, year = {2015}, month = {MAR}, pages = {907-919}, publisher = {TSINGHUA UNIV PRESS}, address = {TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 10084, PEOPLES R CHINA}, abstract = {
We show that self-assembled vertically aligned gold nanorod (VA-GNRs) superlattices can serve as probes or substrates for ultra-high sensitive detection of various molecules. D-glucose and 2,4,6-trinitrotoluene (TNT) have been chosen as model systems due to their very low Raman cross-sections (5.6 x 10(-30) cm(2).molecule(-1).sr(-1) for D-glucose and 4.9 x 10(-31) cm(2). molecule(-1).sr(-1) for TNT) to show that the VA-GNR superlattice assembly offers as low as yoctomole sensitivity. Our experiment on mixed samples of bovine serum albumin (BSA) and D-glucose solutions demonstrate sensitivity for the latter, and the possible extension to real samples. Self-assembled superlattices of VA-GNRs were achieved on a silicon wafer by depositing a drop of solvent containing the GNRs and subsequent solvent evaporation in ambient conditions. An additional advantage of the VA-GNR monolayers is their extremely high reproducible morphology accompanied by ultrahigh sensitivity which will be useful in many fields where a very small amount of analyte is available. Moreover the assembly can be reused a number of times after removing the already present molecules. The method of obtaining VA-GNRs is simple, inexpensive and reproducible. With the help of simulations of monolayers and multilayers it has been shown that superlattices can achieve better sensitivity than monolayer assembly of VA-GNRs.
}, keywords = {Nanostructures, Raman spectroscopy, self-assemblies, sensors, superlattices}, issn = {1998-0124}, doi = {10.1007/s12274-014-0572-2}, author = {Apte, Amey and Bhaskar, Prashant and Das, Raja and Chaturvedi, Smita and Poddar, Pankaj and Kulkarni, Sulabha} } @article { ISI:000355064000014, title = {Self-assembly directed template photopolymerization of perylenebisimide-poly (4-vinylpyridine): nano organization}, journal = {Polymer}, volume = {65}, year = {2015}, month = {MAY}, pages = {115-123}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
A perylene bisimide derivative (PDP-UPBIAcry) having hydroxyl moieties at one termini and polymerizable acrylic units at the other termini was supramolecularly complexed with the pyridine units of Poly (4-vinyl pyridine) (P4VP), followed by photoinduced polymerization of the acrylic units to obtain lamellar organization in the \<10 nm range. H-1 NMR studies including variable temperature (20 degrees C-70 degrees C) measurements were undertaken in DMSO-d(6) (anhydrous, extra dry) to understand the interaction between PDP-UPBIAcry and P4VP. The aromatic perylene protons of PDP-UPBIAcry registered an upfield chemical shift while the pyridine protons of P4VP exhibited small downfield shift in their 1:1 supramolecular complex. The hydrogen bonding interaction between pyridyl nitrogen and phenolic OH group was also traced in non-polar media like CDCl3 in model complexes of 4-vinyl pyridine (4VP) with PDP-UPBIAcry. Wide angle X-ray diffraction (WXRD) technique was used to study the bulk structure. Transmission electron microscopy (TEM) imaging revealed highly ordered layered assembly formed upon complexation. Observation from DFT energy minimization studies were correlated with X-ray diffraction data of the supramolecular complex [P4VP (PDP-UPBIAcry)](1.0) to understand the nature of packing of PDP-UPBIAcry that lead to the formation of highly ordered lamellar stacks alternating with P4VP. The higher ordering in the supramolecular polymer complex was also confirmed by the quenching of fluorescence and reduced fluorescence life times of thin solid films of the [P4VP Poly(PDP-UPBIAcry)](1.0) sample. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {hydrogen bonding, P4VP, Perylenebisimide}, issn = {0032-3861}, doi = {10.1016/j.polymer.2015.03.062}, author = {Shinde, Shekhar and Asha, S. K.} } @article { ISI:000365401700041, title = {Self-assembly of phospholipids on flat supports}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {46}, year = {2015}, month = {OCT}, pages = {31152-31160}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The current study deals with the self-assembly of phospholipids on flat supports using the Martini coarse grain model. We reported here the effect of the hydrophilic and hydrophobic nature of the solid supports on the lipid self-assembly. The hydrophilic and hydrophobic supports were modeled on the basis of water droplet simulations. The present work addresses the self-assembly mechanism of lipids on eight different supports with different strengths of hydrophilicity and hydrophobicity. We demonstrated how interplay between the interactions of lipid and water with the support can guide the lipid self-assembly process. Thereafter, we calculated the energetics of the components of the system to quantify the competitions between water and a lipid head-group with hydrophilic supports. Finally, the properties of the self-assembled bilayers were also analyzed and reported here.
}, issn = {1463-9076}, doi = {10.1039/c5cp03358f}, author = {Mhashal, Anil R. and Roy, Sudip} } @article { ISI:000359444500009, title = {Self-similar rupture of thin free films of power-law fluids}, journal = {Physical Review E}, volume = {92}, number = {2}, year = {2015}, month = {AUG}, pages = {023014}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
The rupture of a thin free film of a power-law fluid under the competing influences of destabilizing van der Waals pressure and stabilizing surface tension pressure is analyzed. In such a fluid, viscosity decreases with the deformation rate raised to the n - 1 power where 0 \< n \<= 1 (n = 1 for a Newtonian fluid). When 6/7 \< n \<= 1, film rupture occurs under a balance between van der Waals pressure, inertial stress, and viscous stress. When n \< 6/7, however, the dominant balance changes: Viscous stress becomes negligible and the film ruptures under the competition between van der Waals pressure, inertial stress, and surface tension pressure.
}, issn = {1539-3755}, doi = {10.1103/PhysRevE.92.023014}, author = {Thete, Sumeet Suresh and Anthony, Christopher and Basaran, Osman A. and Doshi, Pankaj} } @article { ISI:000353702500026, title = {Self-templated chemically stable hollow spherical covalent organic framework}, journal = {Nature Communications}, volume = {6}, year = {2015}, month = {APR}, pages = {6786}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
Covalent organic frameworks are a family of crystalline porous materials with promising applications. Although active research on the design and synthesis of covalent organic frameworks has been ongoing for almost a decade, the mechanisms of formation of covalent organic frameworks crystallites remain poorly understood. Here we report the synthesis of a hollow spherical covalent organic framework with mesoporous walls in a single-step template-free method. A detailed time-dependent study of hollow sphere formation reveals that an inside-out Ostwald ripening process is responsible for the hollow sphere formation. The synthesized covalent organic framework hollow spheres are highly porous (surface area similar to 1,500m(2) g(-1)), crystalline and chemically stable, due to the presence of strong intramolecular hydrogen bonding. These mesoporous hollow sphere covalent organic frameworks are used for a trypsin immobilization study, which shows an uptake of 15.5 mu mol g(-1) of trypsin.
}, issn = {2041-1723}, doi = {10.1038/ncomms7786}, author = {Kandambeth, Sharath and Venkatesh, V. and Shinde, Digambar B. and Kumari, Sushma and Halder, Arjun and Verma, Sandeep and Banerjee, Rahul} } @article { ISI:000362964900007, title = {Sequence and structure-based comparative analysis to assess, identify and improve the thermostability of penicillin G acylases}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {42}, number = {11}, year = {2015}, month = {NOV}, pages = {1493-1506}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
Penicillin acylases are enzymes employed by the pharmaceutical industry for the manufacture of semi-synthetic penicillins. There is a continuous demand for thermostable and alkalophilic enzymes in such applications. We have carried out a computational analysis of known penicillin G acylases (PGAs) in terms of their thermostable nature using various protein-stabilizing factors. While the presence of disulfide bridges was considered initially to screen putative thermostable PGAs from the database, various other factors such as high arginine to lysine ratio, less content of thermolabile amino acids, presence of proline in beta-turns, more number of ion-pair and other non-bonded interactions were also considered for comparison. A modified consensus approach designed could further identify stabilizing residue positions by site-specific comparison between mesostable and thermostable PGAs. A most likely thermostable enzyme identified from the analysis was PGA from Paracoccus denitrificans (PdPGA). This was cloned, expressed and tested for its thermostable nature using biochemical and biophysical experiments. The consensus site-specific sequence-based approach predicted PdPGA to be more thermostable than Escherichia coli PGA, but not as thermostable as the PGA from Achromobacter xylosoxidans. Experimental data showed that PdPGA was comparatively less thermostable than Achromobacter xylosoxidans PGA, although thermostability factors favored a much higher stability. Despite being mesostable, PdPGA being active and stable at alkaline pH is an advantage. Finally, several residue positions could be identified in PdPGA, which upon mutation selectively could improve the thermostability of the enzyme.
}, keywords = {Alkalistable, beta-lactam antibiotics, Consensus approach, Disulfide bridge, Ion pairs, Penicillin acylase, Thermostability}, issn = {1367-5435}, doi = {10.1007/s10295-015-1690-x}, author = {Panigrahi, Priyabrata and Chand, Deepak and Mukherji, Ruchira and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000353931300023, title = {Shape-selective oriented cerium oxide nanocrystals permit assessment of the effect of the exposed facets on catalytic activity and oxygen storage capacity}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {16}, year = {2015}, month = {APR}, pages = {8545-8555}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The catalytic performance of a range of nanocrystalline CeO2 samples, prepared to have different morphologies, was measured using two accepted indicators; oxygen storage and diesel soot combustion. The same powders were characterized hi detail by HR-TEM, XRD, XPS, and Raman methods. The study demonstrates that activity is determined by the relative fraction of the active crystallographic planes, not by the specific surface area of the powders. The physical study is a step toward quantitative evaluation of the relative contribution to activity of the different facets. The synthetic protocol permits fabrication of CeO2 nanostructures with preferentially grown active planes, and therefore has potential in developing catalytic applications and in nanocompositing.
}, keywords = {ceria, chemical activities, crystal facets, nanocrystals, texture coefficient}, issn = {1944-8244}, doi = {10.1021/acsami.5b00298}, author = {Sreeremya, Thadathil S. and Krishnan, Asha and Remani, Kottayilpadi C. and Patil, Kashinath R. and Brougham, Dermot F. and Ghosh, Swapankumar} } @article { ISI:000364436300046, title = {Short enantioselective synthesis of ephedrine, amphetamine and their analogues via two stereocentered Co(III)-catalyzed hydrolytic kinetic resolution of racemic syn-benzyloxy epoxide}, journal = {Tetrahedron Letters}, volume = {56}, number = {46}, year = {2015}, month = {NOV}, pages = {6488-6490}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient route for the synthesis of 6 drugs belonging to phenethylamine and amphetamine classes in excellent overall yields and high optical purity has been described. The strategy involves introduction of stereogenic centers by means of two-stereocentered Co(III)-catalyzed hydrolytic kinetic resolution (HKR) of racemic syn-benzyloxy epoxide followed by Pd-catalyzed regioselective cationic hydrogenation of amino alcohols as the key reactions. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Amphetamine, Cationic hydrogenation, Hydrolytic kinetic resolution, Phenethylamine, Stereogenic centers}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.10.010}, author = {Lalwani, Komal G. and Sudalai, Arumugam} } @article { ISI:000350221600066, title = {Silica microspheres containing high density surface hydroxyl groups as efficient epoxidation catalysts}, journal = {RSC Advances}, volume = {5}, number = {27}, year = {2015}, month = {FEB}, pages = {21125-21131}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Uniformly sized silica microspheres were synthesized by a hydrolysis-condensation method. The obtained material was etched with a mild aqueous potassium hydroxide solution for different periods of time to break their Si-O-Si bonds and increases the density of hydroxyl groups on their surfaces. The resulting materials were then used as transition metal-free catalysts for oxidation of olefins in the presence of hydrogen peroxide as a green oxidant. The materials were thoroughly characterized using various physicochemical techniques. These highly populated hydroxyl groups on the surface of silica microspheres were proven to be responsible for excellent conversion (up to 93\%) and epoxide selectivity (up to 100\%) for various olefins. Quantum mechanical calculations also corroborate the experimental findings. Furthermore, both experimental and theoretical studies show that tertiary silanols were present at the active sites of the catalyst surface and were responsible for olefin epoxidation.
}, issn = {2046-2069}, doi = {10.1039/c5ra00374a}, author = {Chandra, Prakash and Doke, Dhananjay S. and Shubhangi B. Umbarkar and Vanka, Kumar and Biradar, Ankush V.} } @article { ISI:000364803200006, title = {Silicon incorporated morpholine antifungals: design, synthesis, and biological evaluation}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1111-1116}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Known morpholine class antifungals (fenpropimorph, fenpropidin, and amorolfine) were synthetically modified through silicon incorporation to have 15 sila-analogues. Twelve sila-analogues exhibited potent antifungal activity against different human fungal pathogens such as Candida albicans, Candida glabrata, Candida tropicalis, Cryptococcus neoformans, and Aspergillus niger. Si la-analogue 24 (fenpropimorph analogue) was the best in our hands, which showed superior fungicidal potential than fenpropidin, fenpropimorph, and amorolfine. The mode of action of sila-analogues was similar to morpholines, i.e., inhibition of sterol reductase and sterol isomerase enzymes of ergosterol synthesis pathway.
}, keywords = {Antifungal drugs, Candida albicans, ergosterol biosynthesis, morpholines, sila-analogues}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00245}, author = {Jachak, Gorakhnath R. and Ramesh, Remya and Sant, Duhita G. and Jorwekar, Shweta U. and Jadhav, Manjusha R. and Tupe, Santosh G. and Deshpande, Mukund V. and Reddy, D. Srinivasa} } @article { ISI:000347373500003, title = {Simple method for the preparation of ultra-small palladium nanoparticles and their utilization for the hydrogenation of terminal alkyne groups to alkanes}, journal = {Nanoscale}, volume = {7}, number = {3}, year = {2015}, month = {NOV}, pages = {872-876}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple and convenient method for the preparation of ultra-small palladium nanoparticles (Pd-NPs) by a modified digestive ripening method is described. These nanoparticles catalyse the hydrogenation of the terminal alkyne groups to alkanes selectively, and show no effect on other labile protecting and internal alkyne or internal/external alkene groups present in the molecule.
}, issn = {2040-3364}, doi = {10.1039/c4nr04239e}, author = {Seth, Jhumur and Kona, Chandrababu Naidu and Das, Shyamsundar and Bhagavatula L. V. Prasad} } @article { ISI:000345054100096, title = {Simple recovery of intracellular gold nanoparticles from peanut seedling roots}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {15}, number = {2}, year = {2015}, month = {FEB}, pages = {1575-1581}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Fabrication of inorganic nanomaterials via a biological route witnesses the formation either extracellularly, intracellulary or both. Whereas extracellular formation of these nanomaterials is cherished owing to their easy and economical extraction and purification processes; the intracellular formation of nanomaterials, due to the lack of a proper recovery protocol has always been dreaded, as the extraction processes used so far were tedious, costly, time consuming and often resulting in very low recovery. The aim of the present study was to overcome the problems related with the extraction and recovery of intracellularly synthesized inorganic nanoparticles, and to devise a method to increasing the output, the shape, size, composition and dispersal of nanoparticles is not altered. Water proved to be much better system as it provided well dispersed, stable gold nanoparticles and higher recovery. This is the first report, where intracellular nanoparticles have been recovered using a very cost-effective and eco-friendly approach.
}, keywords = {gold nanoparticles, Peanut, Recovery, Sonication, Water}, issn = {1533-4880}, doi = {10.1166/jnn.2015.9046}, author = {Raju, D. and Mehta, Urmil J. and Ahmad, Absar} } @article { ISI:000349384300005, title = {Single crystal-to-single crystal site-selective postsynthetic metal exchange in a Zn-MOF based on semi-rigid tricarboxylic acid and access to bimetallic MOFs}, journal = {Chemistry-A European Journal}, volume = {21}, number = {7}, year = {2015}, month = {FEB}, pages = {2759-2765}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The metal ions in a neutral Zn-MOF constructed from tritopic triacid H3L with inherent concave features, rigid core, and peripheral flexibility are found to exist in two distinct SBUs, that is, 0D and 1D. This has allowed site-selective postsynthetic metal exchange (PSME) to be investigated and reactivities of the metal ions in two different environments in coordination polymers to be contrasted for the first time. Site-selective transmetalation of Zn ions in the discrete environment is shown to occur in a single crystal-to-single crystal (SCSC) fashion, with metal ions such as Fe3+, Ru3+, Cu2+, Co2+, etc., whereas those that are part of 1D SBU sustain structural integrity, leading to novel bimetallic MOFs, which are inaccessible by conventional approaches. To the best of our knowledge, site-selective postsynthetic exchange of an intraframework metal ion in a MOF that contains metal ions in discrete as well as polymeric SBUs is heretofore unprecedented.
}, keywords = {coordination polymers, metal-exchange, metal-organic frameworks, Metathesis, X-ray crystallography}, issn = {0947-6539}, doi = {10.1002/chem.201406098}, author = {Bajpai, Alankriti and Chandrasekhar, Pujari and Govardhan, Savitha and Banerjee, Rahul and Moorthy, Jarugu Narasimha} } @article {42923, title = {Single-layer graphene doping through molecular interaction: field-effect transistor and atomic force microscopy investigations}, journal = {Advanced Device Materials}, volume = {1}, year = {2015}, month = {MAR}, pages = {52-58 }, abstract = {
The single-layer graphene has attracted considerable attention for the promising applications in new generation nanoelectronics and optoelectronics devices because of the high deal carrier mobility. Present investigations deal with the effect of chemical/molecular doping with varying the concentration of strong electron acceptor molecule such as tetracyanoethylene (TCNE) on transfer characteristics of single-layer graphene transistor. The Dirac point shift toward the positive gate voltage as a function of increasing concentration of TCNE molecules clearly indicates that the graphene is P-type doped. Our results indicate that the fermi energy level can be controlled by the amount of molecular doping in order to obtain graphene transistors with tunable Dirac points, which can be easily configured into functional nanoelectronic devices.
}, doi = {10.1179/2055031615Y.0000000003}, author = {Late, Dattatray J.} } @article { ISI:000357808500016, title = {Single-layer graphene-assembled 3D porous carbon composites with PVA and Fe3O4 nano-fillers: an interface-mediated superior dielectric and EMI shielding performance}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {28}, year = {2015}, month = {JUN}, pages = {18353-18363}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In this study, a novel composite of Fe3O4 nanofiller-decorated single-layer graphene-assembled porous carbon (SLGAPC) with polyvinyl alcohol (PVA) having flexibility and a density of 0.75 g cm(-3) is explored for its dielectric and electromagnetic interference (EMI) response properties. The composite is prepared by the solution casting method and its constituents are optimized as 15 wt\% SLGAPC and 20 wt\% Fe3O4 through a novel solvent relaxation nuclear magnetic resonance experiment. The PVA-SLGAPC-Fe3O4 composite shows high dielectric permittivity in the range of 1 Hz-10 MHz, enhanced by a factor of 4 as compared to that of the PVA-SLGAPC composite, with a reduced loss by a factor of 2. The temperature dependent dielectric properties reveal the activation energy behaviour with reference to the glass transition temperature (80 degrees C) of PVA. The dielectric hysteresis with the temperature cycle reveals a remnant polarization. The enhanced dielectric properties are suggested to be the result of improvement in the localized polarization of the integrated interface system (Maxwell-Wagner-Sillars (MWS) polarization) formed by the uniform adsorption of Fe3O4 on the surface of SLGAPC conjugated with PVA. The EMI shielding property of the composite with a low thickness of 0.3 mm in the X-band (8.2-12.4 GHz) shows a very impressive shielding efficiency of similar to 15 dB and a specific shielding effectiveness of 20 dB (g cm(-3))(-1), indicating the promising character of this material for flexible EMI shielding applications.
}, issn = {1463-9076}, doi = {10.1039/c5cp02476e}, author = {Rao, B. V. Bhaskara and Yadav, Prasad and Aepuru, Radhamanohar and Panda, H. S. and Ogale, Satishchandra and Kale, S. N.} } @article { ISI:000352270700029, title = {Singlet-triplet gaps in polyacenes: a delicate balance between dynamic and static correlations investigated by spin-flip methods}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {15}, year = {2015}, month = {MAR}, pages = {9849-9856}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Over the last few years people have been interested in the process of singlet fission, owing to its relevance to solar cell technology. The energetics of singlet fission is intimately related to singlet-triplet (ST) gaps and energies of singlet excited states. However, accurate calculations of ST gaps in polyacenes are complicated due to near degeneracies in the pi orbitals, and therefore, have been quite challenging. The spin-flip equation-of-motion coupled-cluster (SF-EOM-CC) and its perturbative approximation have been shown to correctly treat situations involving electronic degeneracies and near degeneracies. In this work, we use various spin-flip methods to benchmark the ST gaps of small polyacenes and show that the error in the ST gaps with respect to the experiment is small and does not increase appreciably with the system size. The diradical and polyradical character of the polyacene ground states increase with the system size. However, for the small polyacenes the open-shell character of the ground state is still small enough to be treated using single reference methods.
}, issn = {1463-9076}, doi = {10.1039/c5cp00214a}, author = {Ibeji, Collins U. and Ghosh, Debashree} } @article { ISI:000351061700025, title = {Situ preparation of N-TiO2/graphene nanocomposite and its enhanced photocatalytic hydrogen production by H2S splitting under solar light}, journal = {Nanoscale}, volume = {7}, number = {11}, year = {2015}, month = {FEB}, pages = {5023-5034}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Highly monodispersed nitrogen doped TiO2 nanoparticles were successfully deposited on graphene (N-TiO2/Gr) by a facile in-situ wet chemical method for the first time. N-TiO2/Gr has been further used for photocatalytic hydrogen production using a naturally occurring abundant source of energy i.e. solar light. The N-TiO2/Gr nanocomposite composition was optimized by varying the concentrations of dopant nitrogen and graphene (using various concentrations of graphene) for utmost hydrogen production. The structural, optical and morphological aspects of nanocomposites were studied using XRD, UV-DRS, Raman, XPS, FESEM, and TEM. The structural study of the nanocomposite shows existence of anatase N-TiO2. Further, the details of the components present in the composition were confirmed with Raman and XPS. The morphological study shows that very tiny, 7-10 nm sized, N-TiO2 nanoparticles are deposited on the graphene sheet. The optical study reveals a drastic change in absorption edge and consequent total absorption due to nitrogen doping and presence of graphene. Considering the extended absorption edge to the visible region, these nanocomposites were further used as a photocatalyst to transform hazardous H2S waste into eco-friendly hydrogen using solar light. The N-TiO2/Gr nanocomposite with 2\% graphene exhibits enhanced photocatalytic stable hydrogen production i.e. similar to 5941 mu mol h(-1) under solar light irradiation using just 0.2 gm nanocomposite, which is much higher as compared to P25, undoped TiO2 and TiO2/Gr nanocomposite. The enhancement in the photocatalytic activity is attributed to {\textquoteleft}N{\textquoteright} doping as well as high specific surface area and charge carrier ability of graphene. The recycling of the photocatalyst shows a good stability of the nanocomposites. This work may provide new insights to design other semiconductor deposited graphene novel nanocomposites as a visible light active photocatalyst.
}, issn = {2040-3364}, doi = {10.1039/c4nr06435f}, author = {Bhirud, Ashwini P. and Sathaye, Shivaram D. and Waichal, Rupali P. and Ambekar, Jalindar D. and Park, Chan-J. and Kale, Bharat B.} } @article { ISI:000359459900017, title = {Situ preparation of N-ZnO/graphene nanocomposites: excellent candidate as a photocatalyst for enhanced solar hydrogen generation and high performance supercapacitor electrode}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {33}, year = {2015}, month = {JUL}, pages = {17050-17063}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We have demonstrated a facile in situ wet chemical method to synthesize nanostructured nitrogen doped ZnO/Graphene (N-ZnO/GR) nanocomposites for the first time. Nitrogen doped ZnO over graphene (N-ZnO/GR) was studied using various concentrations of graphene. During the synthesis of N-ZnO/GR nanocomposites, in situ formation of graphene via GO reduction and formation of 4-9 nm N-ZnO have been demonstrated. The composite N-ZnO/GR absorbs in the visible region and this property is used for the photocatalytic reaction to transform hazardous H2S waste into eco-friendly hydrogen using solar light. The N-ZnO/GR nanocomposite with 0.3\% graphene exhibits an enhanced photocatalytic stable hydrogen production rate i.e. similar to 5072 mu mol h(-1) under visible light irradiation. It is noteworthy that the N-ZnO/GR electrode exhibits a high specific capacitance of 555 F g(-1) and excellent cyclic performance with nearly 96.20\% capacity retention after 2000 cycles at a current density of 10 A g(-1). These results indicate great potential applications of N-ZnO/GR in developing high hydrogen production and supercapacitors with high energy and power densities.
}, issn = {2050-7488}, doi = {10.1039/c5ta03955j}, author = {Bhirud, Ashwini P. and Sathaye, Shivaram and Waichal, Rupali and Park, Chan-Jin and Kale, Bharat} } @article { ISI:000352546100002, title = {Sodium periodate mediated oxidative transformations in organic synthesis}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {15}, year = {2015}, month = {FEB}, pages = {4374-4394}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The investigation of new oxidative transformations for the synthesis of carbon-heteroatom and heteroatom-heteroatom bonds is of fundamental importance in the synthesis of numerous bioactive molecules and fine chemicals. In this context, NaIO4, an exciting reagent, has attracted increasing attention enabling the development of these unprecedented oxidative transformations that are difficult to achieve otherwise. Thus, NaIO4 has been successfully explored as a versatile oxidant for a variety of fundamental organic transformations such as C-H activation, oxidative functionalization of alkenes and other interesting oxidative transformations and its application in the synthesis of bioactive natural products. This review summarizes recent developments in this area with NaIO4 as a versatile oxidant and brings out many challenges that still remain elusive for the future.
}, issn = {1477-0520}, doi = {10.1039/c5ob00238a}, author = {Sudalai, Arumugam and Khenkin, Alexander and Neumann, Ronny} } @article { ISI:000348147100072, title = {Solid state organic amine detection in a photochromic porous metal organic framework}, journal = {Chemical Science}, volume = {6}, number = {2}, year = {2015}, month = {DEC}, pages = {1420-1425}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new Mg(II) based photochromic porous metal-organic framework (MOF) has been synthesized bearing naphthalenediimide (NDI) chromophoric unit. This MOF (Mg-NDI) shows instant and reversible solvatochromic behavior in presence of solvents with different polarity. Mg-NDI also exhibits fast and reversible photochromism via radical formation. Due to the presence of electron deficient NDI moiety, this MOF exhibits selective organic amine (electron rich) sensing in solid state. The organic amine detection has been confirmed by photoluminescence quenching experiment and visual color change.
}, issn = {2041-6520}, doi = {10.1039/c4sc03224a}, author = {Mallick, Arijit and Garai, Bikash and Addicoat, Matthew A. and Petkov, Petko St. and Heine, Thomas and Banerjee, Rahul} } @article {45945, title = {Solvent free one-pot multi-component synthesis of beta-azaarene substituted ketones via a Sn-catalyzed C(sp(3))-H functionalization of 2-alkylazaarenes}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {NOV}, pages = {103091-103094}, type = {Article}, abstract = {
A tin-catalyzed solvent free one-pot multi-component cascade reaction strategy for the direct Michael addition/C(sp(3))-H functionalization of 2-alkylazaarenes with aldehydes and ketones via an aldol reaction has been developed. This is the first report and provides cost effective new access to potent biologically/medicinally important azaarene derivatives with high atom economy.
}, issn = {2046-2069}, doi = {10.1039/c5ra20728b}, author = {Chavan, Santosh S. and Pathan, Mohsinkhan Y. and Mulla, Shafeek A. R.} } @article {45929, title = {Solvent-free carbonylation of glycerol with urea using metal loaded MCM-41 catalysts}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {JAN}, pages = {16452-16460}, type = {Article}, abstract = {
Reacting glycerol with urea is the most attractive option for the production of glycerol carbonate (GC) as it utilizes two inexpensive chemicals readily available in the chemical cycle. The overall result is the chemical fixation of carbon dioxide. A Zn/MCM-41(im) catalyst prepared by a wet impregnation method exhibited excellent activity for the reaction of glycerol and urea with 75\% glycerol conversion and 98\% selectivity to GC. Such excellent activity of the catalyst is explained based on the presence of both basic and acidic sites on the same catalyst which activates the glycerol and urea molecules, respectively.
}, issn = {2046-2069}, doi = {10.1039/c4ra11590b}, author = {Kondawar, S. E. and Potdar, A. S. and Rode, C. V.} } @article { ISI:000346235600051, title = {Solvent-mediated molar conductivity of protic ionic liquids}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {1}, year = {2015}, month = {NOV}, pages = {475-482}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The molar conductivity, A(m), of protic ionic liquids (PILs) in molecular solvents is measured at 298.15 K. The decrease in the A(m) values of PILs is observed with an increase in the concentration of PILs. The limiting molar conductivities, A(m)(0), were obtained for each PIL in different molecular solvents using a least squares method. The A(m)(0) data for PILs were correlated with the structural aspects of PILs and solvent properties. The polar protic solvents show poor ionic association as compared to the polar aprotic solvents, which is discussed on the basis of the hydrogen bond donating (HBD) ability of solvents and PILs. The alkyl chain substitution of anions plays a significant role in the ionic association of the PILs. The diffusion coefficient D-0 and the transport number t were determined, which were consistent with the A(m)(0) values of PILs in water. The A(m)(0) and D-0 values are dependent on the hydrodynamic radius of anions of these ionic liquids. The extent of ionic association for each PIL was discussed using temperature dependent A(m) data for aqueous PIL systems in terms of the Walden plot.
}, issn = {1463-9076}, doi = {10.1039/c4cp04591b}, author = {Thawarkar, Sachin and Khupse, Nageshwar D. and Kumar, Anil} } @article { ISI:000353167500032, title = {Sophorolipid assisted tunable and rapid gelation of silk fibroin to form porous biomedical scaffolds}, journal = {RSC Advances}, volume = {5}, number = {43}, year = {2015}, month = {MAR}, pages = {33955-33962}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Three dimensional polymer hydrogels, based on both natural and synthetic polymers, are increasingly being used as scaffolds and drug delivery vehicles for biomedical applications. Fibrous protein, silk fibroin (SF), obtained from the Bombyx mori silkworm is a promising candidate in this area. However, SF has a long gelation time of about a few weeks that can only be reduced by non-physiological treatments (e. g. high temperature, ultrasonication and low pH) or by addition of a chemical and non-biodegradable polymer and/or surfactant. We report here accelerated gelation of SF under physiological conditions using a biosurfactant, sophorolipid (SL) as a gelling agent. SL and SF are completely miscible and form a very clear solution upon mixing. Hence it is interesting to see that this clear solution gels in a time span of just a few hours. The hydrogels so formed have pore architecture, porosities and mechanical stability ideally suited for tissue culture applications. Here we also demonstrate that mouse fibroblast cells not only adhere to but also extensively proliferate on these SF-SL scaffolds.
}, issn = {2046-2069}, doi = {10.1039/c5ra04317d}, author = {Dubey, Parul and Nawale, Laxman and Sarkar, Dhiman and Nisal, Anuya and Prabhune, Asmita} } @article { ISI:000363068700007, title = {Specific reagent for Cr(III): imaging cellular uptake of Cr(III) in Hct116 cells and theoretical rationalization}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {41}, year = {2015}, month = {OCT}, pages = {13018-13026}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A new rhodamine-based reagent (L-1), trapped inside the micellar structure of biologically benign Triton-X 100, could be used for specific recognition of Cr(III) in aqueous buffer medium having physiological pH. This visible light excitable reagent on selective binding to Cr(III) resulted in a strong fluorescence turn-on response with a maximum at similar to 583 nm and tail of that luminescence band extended until 650 nm, an optical response that is desired for avoiding the cellular autofluorescence. Interference studies confirm that other metal ions do not interfere with the detection process of Cr(III) in aqueous buffer medium having pH 7.2. To examine the nature of binding of Cr(III) to L-1, various spectroscopic studies are performed with the model reagent L-1 which tend to support Cr(III)-eta(2)-olefin pi-interactions involving two olefin bonds in molecular probe L-1. Computational studies are also performed with another model reagent L-M to examine the possibility of such Cr(III)-eta(2)-olefin pi-interactions. Presumably, polar functional groups of the model reagent L-M upon coordination to the Cr(III) center effectively reduce the formal charge on the metal ion and this is further substantiated by results of the theoretical studies. This assembly is found to be cell membrane permeable and shows insignificant toxicity toward live colon cancer cells (Hct116). Confocal laser scanning microscopic studies further revealed that the reagent L-1 could be used as an imaging reagent for detection of cellular uptake of Cr(III) in pure aqueous buffer medium by Hct116 cells. Examples of a specific reagent for paramagnetic Cr(III) with luminescence ON response are scanty in the contemporary literature. This ligand design helped us in achieving the turn on response by utilizing the conversion from spirolactam to an acyclic xanthene form on coordination to Cr(III).
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b07565}, author = {Ali, Firoj and Saha, Sukdeb and Maity, Arunava and Taye, Nandaraj and Si, Mrinal Kanti and Suresh, E. and Ganguly, Bishwajit and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000348455100007, title = {Spectral analysis of the emission current noise exhibited by few layer WS2 nanosheets emitter}, journal = {Ultramicroscopy}, volume = {149}, year = {2015}, month = {FEB}, pages = {51-57}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Spectral analysis of the field emission (FE) current fluctuations has been carried out at the base pressure similar to 1 x 10(-8) mbar. The emission current stability investigated at preset value of 2 mu A is characterized by {\textquoteleft}step like fluctuation. The spectral analysis performed on a FFT (Fast Fourier Transform) analyzer revealed that the observed noise is of 1/f(alpha) type, with the value of alpha as similar to 1.05. The estimated value of alpha implies that the current fluctuations are mainly due the various processes occurring on atomic scale like adsorption, migration, and/or desorption of the residual gas species on the emitter surface. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Current fluctuations, field emission, Noise, WS2 nanosheets}, issn = {0304-3991}, doi = {10.1016/j.ultramic.2014.10.004}, author = {Suryawanshi, Sachin R. and Kolhe, Pankaj S. and Rout, Chandra S. and Late, Dattatray J. and More, Mahendra A.} } @article { ISI:000346235600046, title = {Spectroscopic and ab initio investigation of 2,6-difluorophenylacetylene-amine complexes: coexistence of C-H center dot center dot center dot N and lone-pair center dot center dot center dot pi complexes and intermolecular coulombic decay}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {1}, year = {2015}, month = {OCT}, pages = {434-443}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Binary complexes of 2,6-difluorophenylacetylene with methylamine, dimethylamine, trimethylamine and triethylamine were investigated using one colour resonant two photon ionization and infrared-optical double resonance spectroscopic techniques combined with high level ab initio calculations. All four amines form C-Ac-H center dot center dot center dot N hydrogen-bonded complexes. Additionally trimethylamine and triethylamine form complexes characterized by Lp center dot center dot center dot pi interactions, due to the electron deficient nature of the phenyl ring of 2,6-difluorophenylacetylene. The Lp center dot center dot center dot pi interacting structure of the 2,6-difluorophenylacetylenetrimethylamine complex is about 1.5 kJ mol(-1) higher in energy than the C-Ac-H center dot center dot center dot N hydrogen-bonded structure, which is the global minimum. Energy decomposition analysis indicates that the electrostatics and dispersion interactions favour the formation of C-Ac-H center dot center dot center dot N and Lp center dot center dot center dot pi complexes, respectively. Interestingly the C-Ac-H center dot center dot center dot N hydrogen-bonded complex of 2,6-difluorophenylacetylene-triethylamine showed a smaller shift in the acetylenic C-H stretching frequency than the 2,6-difluorophenylacetylene-trimethylamine complex. The observed fragmentation of the binary complexes of 2,6-difluorophenylacetylene with the four amines following resonant two-photon ionization can be explained on the basis of the intermolecular coulombic decay process.
}, issn = {1463-9076}, doi = {10.1039/c4cp03445g}, author = {Mondal, Sohidul Islam and Dey, Arghya and Sen, Saumik and Patwari, G. Naresh and Ghosh, Debashree} } @article { ISI:000363179900069, title = {Spin-coatable, photopatternable magnetic nanocomposite thin films for MEMS device applications}, journal = {RSC Advances}, volume = {5}, number = {104}, year = {2015}, month = {OCT}, pages = {85741-85747}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Magnetic nanomaterials{\textquoteright} (especially metals) air stability and compatibility with standard micro-fabrication technologies are often a concern for development of MEMS-based magnetic devices. In this paper, we report an air-stable, photo-patternable and spin-coatable magnetic thin film preparation process for MEMS applications. This magnetic nanocomposite thin film was prepared by incorporating carbon capped ferromagnetic cobalt nanoparticles of dimension 20-80 nm into the SU-8 matrix. TEM, XRD and EDAX analyses were done, to investigate the crystal structure, dispersion and phase stability of the films. The SQUID magnetometry and MFM measurements of the film confirmed its magnetic response at room temperature and the retention of its magnetic properties over a period of time. The material compatibility for MEMS device applications was demonstrated through fabrication of a suspended circular membrane of radius similar to 250 mu m, having four U-shaped beams, of dimension similar to 270 x 50 mu m each. Three conventional lithography steps and a sacrificial release layer of similar to 1 mm thick oxide was used for the fabrication. The membrane was characterized by evaluating its spring constant and resonant frequency. The spring constant and resonant frequencies were estimated to be similar to 4.2 N m(-1) and similar to 29 kHz respectively. Finally, we demonstrated the actuation of the magnetic membrane by an off-chip generated magnetic field, for its possible use as a MEMS device.
}, issn = {2046-2069}, doi = {10.1039/c5ra15706d}, author = {Kandpal, Manoj and Sharan, C. and Palaparthy, V. and Tiwary, N. and Poddar, P. and Rao, V. Ramgopal} } @article {43027, title = {Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {DEC}, abstract = {
A new series of spirochromone annulated chalcone conjugates were synthesized and evaluated for their antitubercular activity against Mycobacterium tuberculosis H37Rv strain. These compounds were subjected to molecular modeling studies using docking and chemoinformatics based approaches. The docking simulations were performed against a range of known receptors for chalcone derived compounds to reveal MTB phosphotyrosine phosphatase B [MtbPtpB] protein as the most probable target based on the high binding affinity scores. Five compounds exhibit significant inhibition, showing minimum inhibitory concentration values i.e. MIC values ranging from 3.13{\textendash}12.5 μg mL-1. Further analysis of the synthesized compounds with known and in-house developed chemoinformatics tools unequivocally established their potential as anti-tubercular compounds. QSAR modeling revealed a quantitative relationship between biological activities and frontier molecular orbital energies of synthesized compounds. The predictive model can be employed further for virtual screening of new compounds in this series.
}, doi = {10.1039/C5RA21737G}, author = {Mujahid, Mohammad and Perumal, Yogeeswari and Sriram, D. and Basavanag, U. M. V. and D{\i}az-Cervantes, Erik and Cordoba-Bahena, Luis and Robles, Juvencio and Gonnade, Rajesh Ghanshyam and Karthikeyan, Muthukumarasamy and Vyas, Renu and Krishnan, M. Muthu} } @article { ISI:000354067400001, title = {Stable field emission from layered MoS2 nanosheets in high vacuum and observation of 1/f noise}, journal = {Nanomaterials and Nanotechnology}, volume = {5}, year = {2015}, month = {APR}, pages = {10}, publisher = {INTECH EUROPE}, address = {JANEZA TRDINE 9, RIJEKA, 51000, CROATIA}, abstract = {
Field emission and current noise of hydrothermally synthesized MoS2 nanosheets are investigated in ultra-high-vacuum and industrially suited high-vacuum conditions. The study reveals that the emission turn-on field is pressure dependent. Moreover, the MoS2 nanosheets exhibit more stable field-electron emission in high-vacuum than in ultra-high-vacuum conditions. The investigations on field-emission current fluctuations show features of 1/f-type noise in ultra-high-vacuum and high-vacuum conditions, attributed to adsorption and desorption processes. The post-field-emission results indicate the MoS2 nanosheets are a robust field emitter in high-vacuum conditions.
}, keywords = {Electron emission, layered materials, MoS2, Noise measurement, Raman spectroscopy}, issn = {1847-9804}, doi = {10.5772/60071}, author = {Kashid, Ranjit V. and Joag, Pracheetee D. and Thripuranthaka, M. and Rout, Chandra S. and Late, Dattatray J. and More, Mahendra A.} } @article { ISI:000361935600025, title = {Star telechelic poly(L-lactide) ionomers}, journal = {Macromolecules}, volume = {48}, number = {18}, year = {2015}, month = {SEP}, pages = {6580-6588}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Poly(L-lactide) (PLA), a biodegradable and biorenewable polymer, has many excellent properties that are equivalent to those of petroleum-derived plastics such as polystyrene, aromatic polyesters, etc. However, a major disadvantage of PLA which limits its processability is its poor melt elasticity. In this work we explore the possibility of improving the viscoelastic properties of PLA melt by incorporating ionic groups on the polymer. Specifically, we demonstrate the synthesis of star telechelic PLA anionomers by a three-step procedure involving synthesis of Star PIA, converting the hydroxyl end groups into carboxylic acid end groups, and finally converting these into ionic groups. Rheology data showed a dramatic increase in the elasticity of the star telechelic ionomer melts relative to the Star PLA melts. The viscoelasticity of star telechelic ionomers melts could be modulated by varying the number of ionic groups per molecule.
}, issn = {0024-9297}, doi = {10.1021/acs.macromol.5b01854}, author = {Kulkarni, Amruta and Lele, Ashish K. and Sivaram, Swaminathan and Rajamohanan, P. R. and Velankar, Sachin and Chatterji, Apratim} } @article { ISI:000350573400013, title = {Starch (Tapioca) to carbon dots: an efficient green approach to an on-off-on photoluminescence probe for fluoride ion sensing}, journal = {Analyst}, volume = {140}, number = {6}, year = {2015}, month = {FEB}, pages = {1837-1841}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Photoluminescent carbon dots of 4-5 nm size were prepared from starch (Tapioca Sago) through a solution method under mild conditions. The as-prepared carbon dots were used as photoluminescence probes for highly anion selective fluoride ion detection in aqueous solutions. A ready-to-use device is also demonstrated.
}, issn = {0003-2654}, doi = {10.1039/c4an02340d}, author = {Basu, Aniruddha and Suryawanshi, Anil and Kumawat, Begraj and Dandia, Anshu and Guin, Debanjan and Ogale, Satishchandra B.} } @article { ISI:000345901600049, title = {Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum}, journal = {Chemical Science}, volume = {6}, number = {1}, year = {2015}, month = {OCT}, pages = {425-435}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Synthetic access to low-coordinate Pb mono- and dications is in general impeded due to their poor solubility and highly electrophilic nature. However, the electrophilicity of these cations can be tamed by attaching them to electron-rich transition metals. Following this principle we have isolated low-valent Pb mono- ([(Cy3P)(2)Pt-PbCl](2)[AlCl4](2), 8a) and dications ([(Cy3P)(2)Pt(Pb)][AlCl4](2), 11) in the coordination sphere of platinum. The same approach then has been implemented for the isolation of analogous low-valent Sn mono- (7a) and dications (10). An energy decomposition analysis (EDA-NOCV) was performed to investigate the nature of Pt-Pb and Pb-Cl bonding in [(Cy3P)(2)Pt(PbCl2)] (2), 8a and 11. The results show that the Pt-Pb bonds in 8a and 11 are electron-sharing in nature, whereas that of the precursor 2 is a dative bond. The breakdown of attractive interactions in 2, 8a and 11 reveals that the ionic interactions in the analyzed Pt-Pb and Pb-Cl bonds are always stronger than the covalent interactions, except for the Pb-Cl bond in 8a. The calculated D3 dispersion energies show that dispersion interactions play a key role in the thermodynamic stability of 2, 8a and 11.
}, issn = {2041-6520}, doi = {10.1039/c4sc02948h}, author = {Braunschweig, Holger and Celik, Mehmet Ali and Dewhurst, Rian D. and Heid, Magdalena and Hupp, Florian and Sen, Sakya S.} } @article { ISI:000358229500042, title = {Stereocontrolled synthesis of Hagen{\textquoteright}s gland lactones via iterative proline catalyzed alpha-aminoxylation and oxa-Michael addition reactions}, journal = {RSC Advances}, volume = {5}, number = {75}, year = {2015}, month = {JUL}, pages = {61000-61005}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple and efficient synthesis of Hagen{\textquoteright}s gland lactones was achieved using a sequential alpha-aminoxylation/oxa-Michael approach in a highly diastereoselective manner with assignment of relative configurations. This method was found to be applicable to the synthesis of various other isomers of Hagen{\textquoteright}s gland lactones.
}, issn = {2046-2069}, doi = {10.1039/c5ra10082h}, author = {Kauloorkar, Shruti Vandana and Jha, Vishwajeet and Jogdand, Ganesh F. and Kumar, Pradeep} } @article { ISI:000348309800003, title = {Structural features of diverse Pin-II proteinase inhibitor genes from capsicum annuum}, journal = {Planta}, volume = {241}, number = {2}, year = {2015}, month = {FEB}, pages = {319-331}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
The proteinase inhibitor (PI) genes from Capsicum annuum were characterized with respect to their UTR, introns and promoter elements. The occurrence of PIs with circularly permuted domain organization was evident. Several potato inhibitor II (Pin-II) type proteinase inhibitor (PI) genes have been analyzed from Capsicum annuum (L.) with respect to their differential expression during plant defense response. However, complete gene characterization of any of these C. annuum PIs (CanPIs) has not been carried out so far. Complete gene architectures of a previously identified CanPI-7 (Beads-on-string, Type A) and a member of newly isolated Bracelet type B, CanPI-69 are reported in this study. The 5{\textquoteright} UTR (untranslated region), 3{\textquoteright}UTR, and intronic sequences of both the CanPI genes were obtained. The genomic sequence of CanPI-7 exhibited, exon 1 (49 base pair, bp) and exon 2 (740 bp) interrupted by a 294-bp long type I intron. We noted the occurrence of three multi-domain PIs (CanPI-69, 70, 71) with circularly permuted domain organization. CanPI-69 was found to possess exon 1 (49 bp), exon 2 (551 bp) and a 584-bp long type I intron. The upstream sequence analysis of CanPI-7 and CanPI-69 predicted various transcription factor-binding sites including TATA and CAAT boxes, hormone-responsive elements (ABRELATERD1, DOFCOREZM, ERELEE4), and a defense-responsive element (WRKY71OS). Binding of transcription factors such as zinc finger motif MADS-box and MYB to the promoter regions was confirmed using electrophoretic mobility shift assay followed by mass spectrometric identification. The 3{\textquoteright} UTR analysis for 25 CanPI genes revealed unique/distinct 3{\textquoteright} UTR sequence for each gene. Structures of three domain CanPIs of type A and B were predicted and further analyzed for their attributes. This investigation of CanPI gene architecture will enable the better understanding of the genetic elements present in CanPIs.
}, keywords = {CanPI, Capsicum, Gene architecture, Promoter, Proteinase inhibitor}, issn = {0032-0935}, doi = {10.1007/s00425-014-2177-0}, author = {Mahajan, Neha S. and Dewangan, Veena and Lomate, Purushottam R. and Joshi, Rakesh S. and Mishra, Manasi and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000360415500050, title = {Structural order of water molecules around hydrophobic solutes: length-scale dependence and solute-solvent coupling}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {34}, year = {2015}, month = {AUG}, pages = {11346-11357}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
It has been suggested that the structure and thermodynamics of the water molecules in the hydration layer of simple hydrophobic solutes undergo an order disorder transition around a nanometer length-scale of the solute size. Using extensive atomistic molecular dynamics (MD) and replica exchange molecular dynamics (REMD) simulation studies, we have probed this order disorder transition around model hydrophobic solutes of varying size and shape (spherical, planar, and linear), as well as flexible hydrophobic homopolymer chains (n-alkanes), where the conformational fluctuations are likely to create both spatial and temporal heterogeneity on the solvent accessible surface. We have explored the structural response of the water molecules in the hydration shell due to the local variations of the length-scale (or curvature) upon hydrophobic collapse and/or local conformational changes of these polymers. We have shown that the tetrahedral order of the water molecules in the hydration shell is practically independent of the polymer size in the extended state of the polymer due to the availability of a subnanometer cross-sectional length-scale, allowing the water molecules to form hydrogen bonds around the polymer chain. Beyond a certain length of the polymer chains, the collapsed states (associated with larger solute length-scale) start to induce disorder in the surface water molecules. We demonstrate that the local structure (both local number density and tetrahedral order) of the hydration layer is dynamically coupled to the local topology of the polymer. Thus, we envisage that in a flexible (bio)polymer, the hydration shell properties will be sensitive to the local conformational state of the molecule (both spatially and temporally), and the overall observed water structure and dynamics will be dependent on the topological/chemical heterogeneity, and the time-scale of fluctuations in the local curvature (length-scale) of the solvent accessible surface. Moreover, we have demonstrated the direct coupling between the local density fluctuations of water and the local hydrophobic collapse of the polymer. For the extended state of the polymer, the local solvent density fluctuation is practically independent of the solute coordinate (length-scale), and the hydrophobic collapse of the polymer is prompted by a {\textquoteleft}{\textquoteleft}local dewetting{\textquoteright}{\textquoteright} process induced by these fluctuations.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b03449}, author = {Hande, Vrushali R. and Chakrabarty, Suman} } @article { ISI:000363727100011, title = {Structure mediation in substrate binding and post-translational processing of penicillin acylases: Information from mutant structures of Kluyvera citrophila penicillin G acylase}, journal = {Protein Science}, volume = {24}, number = {10}, year = {2015}, month = {OCT}, pages = {1660-1670}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Penicillin acylases are industrially important enzymes for the production of 6-APA, which is used extensively in the synthesis of secondary antibiotics. The enzyme translates into an inactive single chain precursor that subsequently gets processed by the removal of a spacer peptide connecting the chains of the mature active heterodimer. We have cloned the penicillin G acylase from Kluyvera citrophila (KcPGA) and prepared two mutants by site-directed mutagenesis. Replacement of N-terminal serine of the beta-subunit with cysteine (Ser beta 1Cys) resulted in a fully processed but inactive enzyme. The second mutant in which this serine is replaced by glycine (Ser beta 1Gly) remained in the unprocessed and inactive form. The crystals of both mutants belonged to space group P1 with four molecules in the asymmetric unit. The three-dimensional structures of these mutants were refined at resolutions 2.8 and 2.5 angstrom, respectively. Comparison of these structures with similar structures of Escherichia coli PGA (EcPGA) revealed various conformational changes that lead to autocatalytic processing and consequent removal of the spacer peptide. The large displacements of residues such as Arg168 and Arg477 toward the N-terminal cleavage site of the spacer peptide or the conformational changes of Arg145 and Phe146 near the active site in these structures suggested probable steps in the processing dynamics. A comparison between the structures of the processed Serb1Cys mutant and that of the processed form of EcPGA showed conformational differences in residues Arg alpha 145, Phe alpha 146, and Phe beta 24 at the substrate binding pocket. Three conformational transitions of Arg alpha 145 and Phe alpha 146 residues were seen when processed and unprocessed forms of KcPGA were compared with the substrate bound structure of EcPGA. Structure mediation in activity difference between KcPGA and EcPGA toward acyl homoserine lactone (AHL) is elucidated.
}, keywords = {acyl homoserine lactone, autocatalytic processing, conformational changes, KcPGA_Ser beta 1Cys, KcPGA_Ser beta 1Gly, Ntn hydrolase}, issn = {0961-8368}, doi = {10.1002/pro.2761}, author = {Chand, Deepak and Varshney, NishantKumar and Ramasamy, Sureshkumar and Panigrahi, Priyabrata and Brannigan, James A. and Wilkinson, Anthony J. and Suresh, C. G.} } @article { ISI:000355893400034, title = {Structure of nanorod assembly in the gyroid phase of diblock copolymer}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {22}, year = {2015}, month = {JUN}, pages = {6803-6812}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Diblock copolymers undergo microphase separation to form various microstructures, for example, lamellar, gyroid, cylindrical, cubic phases depending on compostion and segregation strength (Flory-Huggins parameter chi). Thus, it can act as template to organize doped nanomaterials into different 3D self-assembled structures located within the block copolymer matrix. Gyroid phase is One of the microstructures formed by block copolymer. It has a curved interfacial surface providing confinements throughout the matrix and thus can regulate the shape and sizes of self-assembled nanorods doped in it. Mesoscale simulation of model systems has been performed to explore the structure and dynamics of self-assembly of bundles formed by nanorods of different flexibilities in the gyroid phase of diblock copolymer matrix. Bundles of different shapes and sizes have been found to be formed depending on the nanorod bending flexibility and copolymer-nanorod interactions. The shape anisotropy (kappa(2)) and radius of gyration (R-g(2)) of bundles situated at different interfacial confining locations of block copolymer-matrices have been investigated as a function of nanorod flexibility and nanorod-diblock copolymer miscibility.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b01338}, author = {Chakraborty, Souvik and Roy, Sudip} } @article { ISI:000349999200004, title = {Structure-induced catalytic activity of Co-Zn double-metal cyanide complexes for terpolymerization of propylene oxide, cyclohexene oxide and CO2}, journal = {RSC Advances}, volume = {5}, number = {24}, year = {2015}, month = {FEB}, pages = {18196-18203}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The application of Co-Zn double-metal cyanide (DMC) complexes as catalysts for selective terpolymerization of propylene oxide, cyclohexene oxide and CO2 producing polycarbonates is reported for the first time. DMC complexes were prepared with and without using a co-complexing agent. The catalyst with monoclinic/rhombohedral crystal structure and strong Lewis acidity, prepared without using a co-complexing agent showed higher initial activity than that with a cubic structure prepared using a co-complexing agent. Interestingly, no induction period in the terpolymerization reaction was observed. The terpolymer has 75.5 mol\% of carbonate fraction in its composition and an average molecular weight of 22 700 and polydispersity index of 2.97. It is characterized by a T-g of 55 degrees C. This structure-induced catalytic activity of DMC can open up new avenues for its applications in other reactions. The influence of process parameters on the catalytic activity of DMC was investigated.
}, issn = {2046-2069}, doi = {10.1039/c5ra00299k}, author = {Sebastian, Joby and Darbha, Srinivas} } @article { ISI:000360002300005, title = {Studies on melt processable biocomposites of polylactic acid}, journal = {Journal of Polymers and the Environment}, volume = {23}, number = {3}, year = {2015}, month = {SEP}, pages = {321-333}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Melt processable microcrystalline cellulose (MCC)/poly(lactic acid) (PLA) composites were successfully prepared by twin-screw extrusion. Several characterization techniques were used to investigate the effect of MCC on rheological behavior, morphology, crystallization and melting behavior of the PLA and structure-property correlation of the MCC/PLA composites has been established. Rheological measurements showed that the addition of MCC has a dramatic influence on the low frequency relaxations of PLA chains and above 5 \% of MCC, it forms percolated network structure. Differential scanning calorimeter analysis showed that MCC acted as nucleating agent enhancing crystallization below the percolation concentration. Properties of MCC/PLA composites have been compared with that of talc and CaCO3 filled composites. Talc is found to be more effective in crystallizing PLA than MCC and CaCO3. MCC/PLA composites are found be melt processable like that of talc and CaCO3 filled PLA composites.
}, keywords = {Biopolymers, composites, Rheological properties, Structure-property relationship}, issn = {1566-2543}, doi = {10.1007/s10924-014-0668-5}, author = {Joseph, Seena and Deenadayalan, E. and Mahanwar, Prakash A.} } @article { ISI:000364885800006, title = {Studies toward the total synthesis of cytospolide E}, journal = {Tetrahedron}, volume = {71}, number = {48}, year = {2015}, month = {DEC}, pages = {9088-9094}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In this manuscript, we describe various approaches that we have examined towards the total synthesis of Cytospolide E. We initially attempted the RCM approach employing first and second generation Grubbs and Grubbs-Hoyeda catalysts resulting in the exclusive synthesis of the Z-isomer of Cytospolide E. With the Furstner catalyst, the dimerization involving the less hindered olefin was the exclusive event. Alternative approach documented is a successful cross-metathesis leading to a seco-acid with the requisite E-configuration and undesired macrodiolide formation during the attempted Shiina{\textquoteright}s lactonization. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {20-Membered macrodiolide, Nonenolide, Ring closing metathesis, Shiina lactonization, Yamaguchi esterification}, issn = {0040-4020}, doi = {10.1016/j.tet.2015.10.018}, author = {Vadhadiya, Paresh M. and Rout, Jeetendra K. and Ramana, C. V.} } @article { ISI:000360934800004, title = {Study of applications of machine learning based classification methods for virtual screening of lead molecules}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {18}, number = {7}, year = {2015}, month = {AUG}, pages = {658-672}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
The ligand-based virtual screening of combinatorial libraries employs a number of statistical modeling and machine learning methods. A comprehensive analysis of the application of these methods for the diversity oriented virtual screening of biological targets/drug classes is presented here. A number of classification models have been built using three types of inputs namely structure based descriptors, molecular fingerprints and therapeutic category for performing virtual screening. The activity and affinity descriptors of a set of inhibitors of four target classes DHFR, COX, LOX and NMDA have been utilized to train a total of six classifiers viz. Artificial Neural Network (ANN), k nearest neighbor (k-NN), Support Vector Machine (SVM), Naive Bayes (NB), Decision Tree - (DT) and Random Forest - (RF). Among these classifiers, the ANN was found as the best classifier with an AUC of 0.9 irrespective of the target. New molecular fingerprints based on pharmacophore, toxicophore and chemophore (PTC), were used to build the ANN models for each dataset. A good accuracy of 87.27\% was obtained using 296 chemophoric binary fingerprints for the COX-LOX inhibitors compared to pharmacophoric (67.82 \%) and toxicophoric (70.64 \%). The methodology was validated on the classical Ames mutagenecity dataset of 4337 molecules. To evaluate it further, selectivity and promiscuity of molecules from five drug classes viz. anti-anginal, anti-convulsant, anti-depressant, anti-arrhythmic and anti-diabetic were studied. The TPC fingerprints computed for each category were able to capture the drug-class specific features using the k-NN classifier. These models can be useful for selecting optimal molecules for drug design.
}, keywords = {Anti-anginal, anti-arrythmic, anti-bacterial, anti-convulsant, anti-depressant anti-diabetic, binary QSAR, chemophore, machine learning, pharmacophore, toxicophore}, issn = {1386-2073}, doi = {10.2174/1386207318666150703112447}, author = {Vyas, Renu and Bapat, Sanket and Jain, Esha and Tambe, Sanjeev S. and Karthikeyan, Muthukumarasamy and Kulkarni, Bhaskar D.} } @conference { ISI:000354845400033, title = {Study of molecular vibration by coupled cluster method: bosonic approach}, booktitle = {Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010)}, series = {AIP Conference Proceedings}, volume = {1642}, year = {2015}, note = {International Conference of Computational Methods in Sciences and Engineering (ICCMSE), Kos, GREECE, OCT 03-08, 2010}, month = {FEB}, pages = {227-230}, publisher = {European Soc Computat Methods Sci, Engn \& Technol}, organization = {European Soc Computat Methods Sci, Engn \& Technol}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {
The vibrational coupled cluster method in bosonic representation is formulated to describe the molecular anharmonic vibrational spectra. The vibrational coupled cluster formalism is based on Watson Hamiltonian in normal coordinates. The vibrational excited states are described using coupled cluster linear response theory (CCLRT). The quality of the coupled cluster wave function is analyzed. Specifically, the mean displacement values of the normal coordinates and expectation values of the square of the normal coordinates of different vibrational states are calculated. A good agreement between the converged full CI results and coupled cluster results is found for the lower lying vibrational states.
}, keywords = {CCLRT, Expectation values, Watson Hamiltonian}, isbn = {978-0-7354-1282-8}, issn = {0094-243X}, doi = {10.1063/1.4906658}, author = {Banik, Subrata and Pal, Sourav and Prasad, M. Durga}, editor = {Simos, TE and Maroulis, G} } @article { ISI:000365530700017, title = {Study of the nucleation and growth of antibiotic labeled Au NPs and blue luminescent Au-8 quantum clusters for Hg2+ ion sensing, cellular imaging and antibacterial applications}, journal = {Nanoscale}, volume = {7}, number = {47}, year = {2015}, month = {OCT}, pages = {19985-20002}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein, we report a detailed experimental study supported by DFT calculations to understand the mechanism behind the synthesis of cefradine (CFD - an antibiotic) labeled gold nanoparticles (Au NPs) by employing CFD as both a mild reducing and capping agent. The analysis of the effect of growth conditions reveals that a higher concentration of HAuCl4 results in the formation of an increasing fraction of anisotropic structures, higher temperature leads to the formation of quasi-spherical particles instead of anisotropic ones, and larger pH leads to the formation of much smaller particles. The cyclic voltammetry (CV) results show that when the pH of the reaction medium increases from 4 to 6, the reduction potential of CFD increases which leads to the synthesis of nanoparticles (in a pH 4 reaction) to quantum clusters (in a pH 6 reaction). The MALDI-TOF mass spectrometry results of supernatant of the pH 6 reaction indicate the formation of [Au-8(CFD)(2)S-6] QCs which show fluorescence at ca. 432 nm with a Stokes shift of ca. 95 nm. The blue luminescence from Au-8 QCs was applied for sensing of Hg2+ ions on the basis of an aggregation-induced fluorescence quenching mechanism and offers good selectivity and a high sensitivity with a limit of detection ca. 2 nM which is lower than the detection requirement of 10 nM by the U.S. EPA and 30 nM by WHO for drinking water. We have also applied the sensing probe to detect Hg2+ ions in bacterial samples. Further, we have investigated the antibacterial property of as-synthesized Au NPs using MIC, growth curve and cell survival assay. The results show that Au NPs could reduce the cell survival very efficiently rather than the cell growth in comparison to the antibiotic itself. The scanning electron microscopy study shows the degradation and blebbing of the bacterial cell wall upon exposure with Au NPs which was further supported by fluorescence microscopy results. These Au NPs did not show reactive oxygen species generation. We believe that the bacterial cytotoxicity is due to the direct contact of the Au NPs with bacterial cells.
}, issn = {2040-3364}, doi = {10.1039/c5nr05619e}, author = {Khandelwal, Puneet and Singh, Dheeraj K. and Sadhu, Subha and Poddar, Pankaj} } @article { ISI:000365602800014, title = {Study on fused/cast AZS refractories for deployment in vitrification of radioactive waste effluents}, journal = {Journal of Nuclear Materials}, volume = {467}, number = {1}, year = {2015}, month = {DEC}, pages = {144-154}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Fused/cast Al2O3-ZrO2-SiO2 (FC-AZS){\textquoteright} is being considered as {\textquoteleft}glass contact refractory{\textquoteright} within ceramic melters, to be used for nuclear waste immobilization. Microstructural analyses reveal random distributions of baddeleyite (ZrO2) within aluminosilicate (Al2SiO5) matrix. Al-27 and Si-29 NMR data suggest that within aluminosilicate matrix Al occurs in both 4- and 6-fold co-ordinations whereas Si prefers a 4-fold environment. Polydispersity of pores has been studied with small-angle neutron scattering (SANS) technique. Corrosion rates of FC-AZS within 6 M HNO3, simulated wastes (500 h exposure), and borosilicate melt (975 degrees C, 800 h exposure) are found to be 0.38 x 10(3) mu my(-1), 0.13 x 10(3) mu my(-1) and 4.75 x 10(3) mu my(-1) respectively. A comparison of chemical interaction data clearly suggests that FC-AZS exhibits better chemical durability than AZC refractory (Al2O3-ZrO2-Cr2O3, also used for similar purpose). Thermal cycling studies indicate that FC-AZS retains structural integrity (including compressive strength and density) even up to 20 cycles. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Interaction between refractory material and hazardous liquid, Nuclear waste immobilization, Vitrification melter}, issn = {0022-3115}, doi = {10.1016/j.jnucmat.2015.09.019}, author = {Sengupta, Pranesh and Mishra, Raman K. and Soudamini, N. and Sen, D. and Mazumder, S. and Kaushik, Chetan P. and Ajithkumar, Thalasseril G. and Banerjee, K.} } @article { ISI:000360095900016, title = {Sulfuryl chloride promoted gem-dichlorination-dehydrochlorination in alkyl benzothiazinylacetates: synthesis of the skeleton of trichochrome pigments}, journal = {Synthesis-Stuttgart}, volume = {47}, number = {17}, year = {2015}, month = {SEP}, pages = {2631-2634}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Chemo- and stereoselective total synthesis of the basic trichochrome skeleton is described starting from o-aminothiophenol and maleic anhydride in very good overall yield. The process involves the synthesis of the corresponding 1,4-benzothiazin-2-ylacetates followed by their sulfuryl chloride induced dihalogenation-dehydrohalogenation and a second condensation with o-aminothiophenol as key steps.
}, keywords = {condensations, halogenation, maleic anhydride, o-aminothiophenol, trichochrome framework}, issn = {0039-7881}, doi = {10.1055/s-0034-1378714}, author = {Jangir, Ravi and Gadre, Smita R. and N. P. Argade} } @article {45886, title = {Supported imidazole as heterogeneous catalyst for the synthesis of cyclic carbonates from epoxides and CO2}, journal = {Catalysis Communications}, volume = {59}, year = {2015}, month = {JAN }, pages = {201-205}, type = {Article}, abstract = {
Imidazole anchored onto a silica matrix, by means of a propyl linkage, is found to be an effective heterogeneous catalyst for the synthesis of cyclic carbonates from epoxides and CO2 in near quantitative yield. The versatility of this catalyst is demonstrated by using different substrates (epichlorohydrin, propylene oxide, butylene oxide and styrene oxide) for this cycloaddition reaction. These CO2 insertion reactions were typically carried out in the temperature range of 343 to 403 K at 0.6 MPa CO2 pressure under solvent-free conditions. Several spectroscopic methods were used to characterize the catalyst and study the integrity of the fresh and spent catalysts. (C) 2014 Elsevier B.V. All rights reserved.
}, keywords = {Anchored imidazole, CO2 utilization, cyclic carbonates, epoxides}, issn = {1566-7367}, doi = {10.1016/j.catcom.2014.10.026}, author = {Sankar, Meenakshisundaram and Ajithkumar, Thalasseril G. and Sankar, Gopinathan and Manikandan, Palanichamy} } @article { ISI:000351843500020, title = {Supramolecular scaffolds on glass slides as sugar based rewritable sensors for bacteria}, journal = {Chemical Communications}, volume = {51}, number = {29}, year = {2015}, month = {MAR}, pages = {6346-6349}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We describe here the sugar functionalized beta-cyclodextrin-ferrocene glass slides as fully reversible bacterial biosensors under the influence of external adamantane carboxylic acid. The prototype D-mannose - E. coli ORN 178 and L-fucose - P. aeruginosa interactions serve as a model to illustrate the new approach.
}, issn = {1359-7345}, doi = {10.1039/c5cc01019e}, author = {Gade, Madhuri and Paul, Ajay and Alex, Catherine and Choudhury, Devika and Thulasiram, Hirekodathakallu V. and Kikkeri, Raghavendra} } @article { ISI:000349578400018, title = {Surface site modulations by conjugated organic molecules to enhance visible light activity of ZnO nanostructures in photocatalytic water splitting}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {6}, year = {2015}, month = {FEB}, pages = {3060-3067}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Surface modification of ZnO nanoparticles is identified as a method of modulating surface sites advantageously. ZnO nanoparticles of two different sizes are surface modified with a conjugated organic moiety to enable electron conduction and transfer. Enhanced H-2 evolution from water-methanol mixtures was observed in the composite systems compared to pristine ZnO under visible light irradiation without any cocatalyst. The system is also marginally active in water splitting in pure water without any sacrificial agents. Photophysical characterization indicates that even though reducing size into the nanoregime affects the band gap detrimentally, modifications by simple conjugated organic molecules assist in enhanced visible light activity. The experimental observations are corroborated with computational studies, which also point to a localization of valence band maximum of the interface on the organic moiety and conduction band minimum on ZnO.
}, issn = {1932-7447}, doi = {10.1021/jp511996z}, author = {George, Leena and Sappati, Subrahmanyam and Ghosh, Prasenjit and Devi, R. Nandini} } @article { ISI:000349667700031, title = {Surface-modified single wall carbon nanohorn as an effective electrocatalyst for platinum-free fuel cell cathodes}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {8}, year = {2015}, month = {JAN}, pages = {4361-4367}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Platinum (Pt) and its alloys are routinely used in the cathodes of polymer electrolyte membrane fuel cells (PEMFCs) due to their high electrocatalytic activity in oxygen reduction reactions (ORRs). A variety of alternative materials have been examined as alternatives to Pt, but most of these had low activity and their performance deteriorated even further in use. In the present study an alternate electrocatalyst has been examined, obtained by a simple surface modification of single-walled carbon nanohorns by simultaneous doping with Fe and N at 900 degrees C (FeNCNH-900). This had an ORR activity superior to that of 40 wt\% Pt on carbon (Pt/C). Compared to Pt/C, FeNCNH-900 gave a 30 mV improvement in onset potential and a 20 mV gain in half-wave potential in an ORR. Its high activity is the result of the simultaneous modulation achieved by the high surface area and the microporosity of carbon nanohorns, together with the establishment of the desired nitrogen-iron coordinated pyrrolic active centres. The catalyst showed excellent electrochemical stability and, most notably, its ORR activity was still increasing after 1000 cycles. Single-cell fuel cell performance using FeNCNH-900 as cathode catalyst showed a maximum power density of 35 mW cm(-2) under alkaline conditions.
}, issn = {2050-7488}, doi = {10.1039/c4ta05092d}, author = {Unni, SreeKuttan M. and Ramadas, Sarath and Illathvalappil, Rajith and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article { ISI:000362243500018, title = {Surface-tuned Co3O4 nanoparticles dispersed on nitrogen-doped graphene as an efficient cathode electrocatalyst for mechanical rechargeable zinc-air battery application}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {38}, year = {2015}, month = {SEP}, pages = {21138-21149}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The most vital component of the fuel cells and metal air batteries is the electrocatalyst, which can facilitate the oxygen reduction reaction (ORR) at a significantly reduced overpotential. The present work deals with the development of surface-tuned cobalt oxide (Co3O4) nanoparticles dispersed on nitrogen-doped graphene as a potential ORR electrocatalyst possessing some unique advantages. The thermally reduced nitrogen-doped graphene (NGr) was decorated with three different morphologies of Co3O4 nanoparticles, viz., cubic, blunt edged cubic, and spherical, by using a simple hydrothermal method. We found that the spherical Co3O4 nanoparticle supported NGr catalyst (Co3O4-SP/NGr-24h) has acquired a significant activity makeover to display the ORR activity closely matching with the state-of-the-art Pt supported carbon (PtC) catalyst in alkaline medium. Subsequently, the Co3O4-SP/NGr-24h catalyst has been utilized as the air electrode in a Zn-air battery, which was found to show comparable performance to the system derived from PtC. Co3O4-SP/NGr-24h catalyst has shown several hours of flat discharge profile at the discharge rates of 10, 20, and 50 mA/cm(2) with a specific capacity and energy density of similar to 590 mAh/g(-zn) and,840 Wh/kg(-zn), respectively, in the primary Zn-air battery system. In conjunction, Co3O4-SP/NGr-24h has outperformed as an air electrode in mechanical rechargeable Zn-air battery as well, which has shown consistent flat discharge profile with minimal voltage loss at a discharge rate of 50 mA/cm(2). The present results, thus demonstrate that the proper combination of the tuned morphology of Co3O4 with NGr will be a promising and inexpensive material for efficient and ecofriendly cathodes for Zn-air batteries.
}, keywords = {electrocatalyst, mixed facets, oxygen reduction reaction, rechargeable zinc-air battery, surface morphology}, issn = {1944-8244}, doi = {10.1021/acsami.5b04865}, author = {Singh, Santosh K. and Dhavale, Vishal M. and Kurungot, Sreekumar} } @article { ISI:000356021300023, title = {Surfactant assisted formation of ruthenium nanochains under mild conditions and their catalytic CO oxidation activity}, journal = {Chemical Communications}, volume = {51}, number = {50}, year = {2015}, month = {MAY}, pages = {10178-10181}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Spontaneous formation of ruthenium nanochains is accomplished in aqueous medium under mild conditions using a seed mediated protocol with cetyl trimethylammonium bromide (CTAB) as the capping agent. They are formed due to the random self-assembly of Ru seeds of similar to 3.5 nm size. These 1D nanostructures exhibit better catalytic activity towards the oxidation of CO relative to the similar to 3.5 nmseeds and 6 nm Ru nanospheres. The synthesis strategy adopted here is found to be simple, facile and environmentally friendly.
}, issn = {1359-7345}, doi = {10.1039/c4cc09430a}, author = {Sreedhala, S. and Vinod, C. P.} } @article {43034, title = {Swarm and swim motilities of salmonella enterica serovar typhimurium and role of osmoregulated periplasmic glucans}, journal = {Microbiol Discov}, volume = {3}, year = {2015}, month = {JAN}, pages = {3-6}, doi = {10.7243/2052-6180-3-3}, author = {Dharne, Mahesh S. and Kannan, Porteen and Murphy, Charles and Smith, Allen and Bhagwat, Arvind A.} } @article { ISI:000354910500021, title = {Switching closed-shell to open-shell phenalenyl: toward designing electroactive materials}, journal = {Journal of the American Chemical Society}, volume = {137}, number = {18}, year = {2015}, month = {MAY}, pages = {5955-5960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Open-shell phenalenyl chemistry started more than half a century back, and the first solid-state phenalenyl radical was realized only 15 years ago highlighting the synthetic challenges associated in stabilizing carbon-based radical chemistry, though it has great promise as building blocks for molecular electronics and multifunctional materials. Alternatively; stable closed-shell phenalenyl has tremendous potential as it can be utilized, to create an in situ open-shell state by external spin injection. In the present study, we have designed a closed-shell phenalenyl-based iron(III) complex, Fe-III(PLY)(3) (PLY-H = 9-hydroxyphenalenone) displaying an excellent electrocatalytic property as cathode material for one compartment membraneless H2O2 fuel cell. The power density output Of Fe-III(PLY)(3) is nearly 15-fold higher than the structurally related model compound Fe-III(acac)(3) (acac = acetylacetonate) and nearly 140-fold higher than an earlier reported mononuclear Fe(III) complex; Fe-III(Pc)Cl (Pc = pthalocyaninate), highlighting the role of switchable closed-shell phenalenyl moiety for electron-transfer process in designing electroactive materials.
}, issn = {0002-7863}, doi = {10.1021/jacs.5b00272}, author = {Pariyar, Anand and Vijaykumar, Gonela and Bhunia, Mrinal and Dey, Suman Kr. and Singh, Santosh K. and Kurungot, Sreekumar and Mandal, Swadhin K.} } @article { ISI:000351833100018, title = {Synergistic effects and correlating polarity parameters in binary mixtures of ionic liquids}, journal = {Chemphyschem}, volume = {16}, number = {5}, year = {2015}, month = {APR}, pages = {1026-1034}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
Understanding how a chemical reaction proceeds in solution requires precise knowledge of solute-solvent interactions. Certain issues involved in ionic liquid binary mixtures are still not clearly understood, including: 1) the effects of hydrogen-bond-acceptor basicity () of solvents on the synergistic effects found in ionic liquid-alcohol mixtures, 2) the interrelation between the polarity parameters in binary mixtures, and 3) the application of a model for the description of normalised electronic transition energy for all the binary mixtures. Here, a detailed analysis of polarity parameters in both hydrophilic and hydrophobic ionic liquids has been carried out. A three-parameter model developed by Roses et al. [J. Chem. Soc. Perkin Trans. 2 1997, 13411348] was found to be applicable to all the binary mixtures, and synergistic effects are generated as a result of high values of alcohols compared with those of the ionic liquids. A strong correlation was observed in the values and hydrophobicities of pure ionic liquids, suggesting that values can play a role in describing synergism.
}, keywords = {green chemistry, ionic liquids, liquids, noncovalent interactions, solvent effects}, issn = {1439-4235}, doi = {10.1002/cphc.201402825}, author = {Beniwal, Vijay and Kumar, Anil} } @article { ISI:000358338300003, title = {Synthesis and antifungal potential of 1,2,3-triazole and 1,2,4-triazole thiol substituted strobilurin derivatives}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {54}, number = {7}, year = {2015}, month = {JUL}, pages = {908-917}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {
beta-Methoxyacrylate group is an important pharmacophore of commercially used strobilurin fungicides. In the present study, a total of seventeen 1,2,4-triazole thiols 8a-h and 1,2,3-triazole substituted 10a-i strobilurin derivatives have been synthesized. 1,2,4-Triazole thiol substituted strobilurin derivatives 8a-h have been found to inhibit the growth of plant pathogens such as Fusarium oxysporum, Magnaporthe grisea, Drechslera oryzae and human pathogens Aspergillus fumigatus and different strains of Cryptococcus neoformans, with MIC in the range of 16-256 mu g/mL. In case of Candida albicans tested strain, the MIC is \> 256 mu g/mL. p-Chlorophenyl substituted 1,2,4-triazole thiol strobiulrin derivative 8e is the most potent inhibitor with MIC of 16-64 mu g/mL against most of the tested pathogens. Antifungal action of the compounds is due to inhibition of mitochondrial respiration. In the resazurin reduction assay, EC50 for inhibition of RZ reduction in D. oryzae by azoxystrobin and 8e are 3.42 +/- 0.03 mu g/mL and 3.63 +/- 0.21 mu g/mL, respectively; while in case of C. neoformans, EC50,, of azoxystrobin and 8e are between 0.65-0.85 mu g/mL. In a non-pathogenic model Benjaminiella poitrasii, though the MIC for all the synthesized compounds 8a-h and 10a-i are \> 256 mu g/ml, yeast to hypha transition is inhibited in the range of 21-75\% at 4 mu g/mL concentration while EC50 for inhibition of RZ reduction by azoxystrobin and 8e are 31.5 +/- 0.4 mu g/mL and 17.95 +/- 0.7 mu g/mL, respectively. The 50\% germ tube formation inhibition in case of C. albicans is observed at 108.49 mu g/mL. 1,2,4-Triazole thiol substituted strobilurin derivatives hold promise for the control of pathogenic fungi in agriculture and health care.
}, keywords = {1, 2, 3-triazole strobilurin, 4-triazole thiol strobilurin, antifungal, Strobilurin, Y-H transition inhibition}, issn = {0376-4699}, author = {Chaudhary, Preeti M. and Tupe, Santosh G. and Jorwekar, Shweta U. and Sant, Duhita G. and Deshpande, Sunita R. and Maybhate, Shailaja P. and Likhite, Anjali P. and Deshpande, Mukund V.} } @article { ISI:000346263800042, title = {Synthesis and characterization of PEPO grafted carboxymethyl guar and carboxymethyl tamarind as new thermo-associating polymers}, journal = {Carbohydrate Polymers}, volume = {117}, year = {2015}, month = {MAR}, pages = {331-338}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
New thermo associating polymers were designed and synthesized by grafting amino terminated poly(ethylene oxide-co-propylene oxide) (PEPO) onto carboxymethyl guar (CMG) and carboxymethyl tamarind (CMT). The grafting was performed by coupling reaction between-NH2 groups of PEPO and -COOH groups of CMG and CMT using water-soluble EDC/NHS as coupling agents. The grafting efficiency and the temperature of thermo-association, T-assoc in the copolymer were studied by NMR spectroscopy. The graft copolymers, CMG-g-PEPO and CMT-g-PEPO exhibited interesting thermo-associating behavior which was evidenced by the detailed rheological and fluorescence measurements. The visco-elastic properties (storage modulus, G{\textquoteright}; loss modulus, G{\textquoteright}{\textquoteright}) of the copolymer solutions were investigated using oscillatory shear experiments. The influence of salt and surfactant on the T-assoc was also studied by rheology, where the phenomenon of {\textquoteleft}{\textquoteleft}Salting out{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}Salting in{\textquoteright}{\textquoteright} was observed for salt and surfactant, respectively, which can give an easy access to tunable properties of these copolymers. These thermo-associating polymers with biodegradable nature of CMG and CMT can have potential applications as smart injectables in controlled release technology and as thickeners in cosmetics and pharmaceutical formulations. (C) 2014 Elsevier Ltd. All rights reserved.
}, keywords = {Carboxymethyl guar, Carboxymethyl tamarind, Pluronics, Rheology, Solution behavior, Thermo-associating polymers}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.09.073}, author = {Gupta, Nivika R. and Torris, Arun A. T. and Wadgaonkar, Prakash P. and Rajamohanan, P. R. and Ducouret, Guylaine and Hourdet, Dominique and Creton, Costantino and Badiger, Manohar V.} } @article { ISI:000363466600014, title = {Synthesis and characterization of polyetherimides containing multiple ether linkages and pendent pentadecyl chains}, journal = {Polymer International}, volume = {64}, number = {12}, year = {2015}, month = {DEC}, pages = {1770-1778}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
4-(4-(4-(4-Aminophenoxy)-2-pentadecylphenoxy)phenoxy)aniline (APPPA) was synthesized starting from cashew nut shell liquid-derived bisphenol, i.e. 4-(4-hydroxyphenoxy)-3-pentadecylphenol, by nucleophilic substitution reaction with 4-chloronitrobenzene followed by reduction of the formed 4-(4-nitrophenoxy)-1-(4-(4-nitrophenoxy)phenoxy)-2-pentadecylbenzene. Three new polyetherimides containing multiple ether linkages and pendent pentadecyl chains were synthesized by one-step high-temperature solution polycondensation of APPPA in m-cresol with three aromatic dianhydrides, i.e. 3,3,4,4-oxydiphthalic anhydride, 4,4-(hexafluoroisopropylidene)diphthalic anhydride and 3,3,4,4-biphenyltetracarboxylic dianhydride. Inherent viscosities and number-average molecular weights of the polyetherimides were in the ranges 0.66-0.70 dLg(-1) and 17100-29700gmol(-1) (gel permeation chromatography, polystyrene standards), respectively, indicating the formation of reasonably high molecular weight polymers. The polyetherimides were soluble in organic solvents such as chloroform, dichloromethane, tetrahydrofuran, pyridine, m-cresol, N,N-dimethylformamide, N,N-dimethylacetamide, N-methylpyrrolidone and dimethylsulfoxide, and could be cast into transparent, flexible and tough films from their solutions in chloroform. The polyetherimides exhibited glass transition temperatures (T-g) in the range 113-131 degrees C. The lowering of T-g could be attributed to the combined influence of flexibilizing ether linkages and pentadecyl chains which act as packing-disruptive{\textquoteright} groups. The temperature at 10\% weight loss (T-10), determined from thermogravimetric analysis in nitrogen atmosphere, was in the range 460-470 degrees C demonstrating good thermal stability. The virtues of solubility and large gap between T-g and T-10 mean that the polyetherimides containing pendent pentadecyl chains have possibilities for both solution as well as melt processability. (c) 2015 Society of Chemical Industry
}, keywords = {CNSL, ether linkage, pentadecyl, polyetherimide, processability}, issn = {0959-8103}, doi = {10.1002/pi.4978}, author = {Tawade, Bhausaheb V. and Kulkarni, Arun D. and Wadgaonkar, Prakash P.} } @article { ISI:000363841700011, title = {Synthesis and characterization of thermotropic liquid crystalline polyimides}, journal = {Bulletin of Materials Science}, volume = {38}, number = {6}, year = {2015}, month = {OCT}, pages = {1553-1559}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Non-symmetrical and linear dyad-based mesogens were synthesised containing imine or ester bridging group. In the present work, due to the absence of branching in diamine-based mesogen, the structure has-rigidity inversely imine/ester bridging groups between two benzene rings imparts-flexible property to the mesogen and consequently rigid-flexible property has been balanced. The synthesised mesogens were characterized by different techniques including nuclear magnetic resonance and Fourier transform infrared spectroscopy. Liquid crystalline polymers (LCPs) were synthesised using pyromellitic dianhydride and 4-[(4-aminobenzylidene)amino]aniline or 4-aminophenyl-4-aminobenzoate. Subsequently, thermotropic liquid crystalline polymers (TLCPs) have also been evaluated to obtain optical microscopy textures at different temperatures which demonstrated interesting and notable changes. It is worth noting that marble-like textures were observed upto 200A degrees C.
}, keywords = {Diamine, liquid crystalline polymer, mesogen, optical microscopy textures, pyromellitic dianhydride}, issn = {0250-4707}, doi = {10.1007/s12034-015-0975-z}, author = {Mane, Sachin and Rajan, C. R. and Ponrathnam, Surendra and Chavan, Nayaku} } @article {45939, title = {Synthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents}, journal = {MedChemComm}, volume = {6}, year = {2015}, month = {AUG}, pages = {2209-2215}, type = {Article}, abstract = {
A number of thieno[2,3-d]pyrimidin-4(3H)-ones were designed, synthesized and screened against Mycobacteria as a part of our program to develop new antitubercular agents. It was observed that some of the compounds have significant antimycobacterial activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743). The active compounds were studied for cytotoxicity against four cell lines and were found to be non-cytotoxic. The results showed that compounds 13b and 29e were found to exhibit very good antimycobacterial activity (MIC in the range of 6-8 mu M) and the thienopyrimidinones as a class have potential to be developed as antitubercular agents.
}, issn = {2040-2503}, doi = {10.1039/c5md00404g}, author = {Borate, Hanumant B. and Annadate, Ritesh A. and Vagh, Sandip S. and Pisal, Mahesh M. and Deokate, Sagar B. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Nawale, Laxman U. and Sarkar, Dhiman} } @article { ISI:000365710500009, title = {Synthesis, antioxidant, anti-inflammatory, and antimicrobial screening of newer thiophene-fused arylpyrazolyl 1,3,4-oxadiazoles}, journal = {Phosphorus Sulfur and Silicon and the Related Elements}, volume = {190}, number = {11}, year = {2015}, month = {NOV}, pages = {1803-1813}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
A series of newer 1,3,4-oxadiazole derivatives 3a-h, 5a-h containing a thiophene fused with pyrazole moiety of pharmacological significance have been synthesized. The compounds were characterized by H-1 NMR, IR, and mass spectral techniques. The compounds were screened for their in vitro antioxidant, anti-inflammatory and antimicrobial activities. Among them, Compounds 3b (EC50-14.98) and 3f (EC50-12.21) showed significant antioxidant activity. Compound 3a (EC50-15.23) showed good anti-inflammatory activity. Compound 3d was found as the most active derivative against bacterial and fungal strains.
}, keywords = {1, 3, 4-Oxadiazole, Anti-inflammatory, Antimicrobial, Antioxidant, EC50, Thiophene-fused pyrazole}, issn = {1042-6507}, doi = {10.1080/10426507.2015.1024784}, author = {Mahajan, Pravin S. and Nikam, Mukesh and Chate, Asha and Nimbalkar, Urja and Patil, Vrushali and Bobade, Anil and Chaudhari, Abhay and Deolankar, Dattatray and Javale, Balasaheb and Gill, Charansingh H.} } @article {45927, title = {Synthesis, characterization of thiolated karaya gum and evaluation of effect of pH on its mucoadhesive and sustained release properties}, journal = {Carbohydrate Polymers}, volume = {130}, year = {2015}, month = {OCT }, pages = {183-190}, type = {Article}, abstract = {
Present study aims at synthesis and characterization of thiolated gum karaya by reacting karaya gum with 80\% thioglycolic acid resulting in esterification and immobilization of thiol groups on polymeric backbone. Immobilized thiol groups were found to be 5.026 mM/g determined by Ellman{\textquoteright}s method. It was characterized by FTIR, DSC and XRD. Directly compressible tablets prepared using thiolated gum displayed more disintegration time, swelling and mucoadhesion with increase in pH of medium simulating gastric and intestinal environment than plain gum. Controlled drug release for more than 24h by Fickian diffusion following Korsemeyer-Peppas model was observed with Metoprolol Succinate as a model drug as compared to plain gum which released more than 90\% of the drug within 2 h. Synthesized thiomer showed no cytotoxicity determined using HepG2 cell line. According to these results, thiolated gum karaya seems to be promising excipient for the development of mucoadhesive drug delivery systems. (C) 2015 Elsevier Ltd. All rights reserved.
}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2015.04.064}, author = {Bahulkar, Swati S. and Munot, Neha M. and Surwase, Sachin S.} } @article { ISI:000367546300012, title = {Synthesis, crystal structure and in vitro DNA binding studies of combretastatin A-4 analogue}, journal = {Croatica Chemica Acta}, volume = {88}, number = {3}, year = {2015}, month = {DEC}, pages = {289-296}, publisher = {CROATIAN CHEMICAL SOC}, address = {MARULICEV TRG 19/II, 41001 ZAGREB, CROATIA}, abstract = {
Synthesis of a novel Combretastatin A-4 analogue using Schiff{\textquoteright}s reaction of benzil and 4-aminoantipyrine has been achieved under solvent free conditions. The structure of compound was examined spectroscopically and confirmed from single crystal diffraction studies. The synthesized Combretastatin A-4 analogue was investigated for its DNA binding ability as the plausible mechanism for its antitumor activity. The binding propensity of the synthesized compound with calf-thymus (CT) DNA was monitored with absorption and emission spectrophotometric titrations. The calculations predict a binding constant of 7.24 x 10(4) for the complex of the synthesized compound with CT DNA which is comparable in magnitude to that of DNA binding of bactericidal drug enoxacin and typical intercalation indicator ethidium bromide (EB). Competitive binding studies of the synthesized compound with EB using fluorescence titration reveal that it displaces the DNA-bound EB and binds in intercalative mode which was further supported by circular dichroism (CD) spectroscopy. The probable site and binding energy of the compound with DNA was further theoretically investigated by molecular docking studies. The significant DNA binding ability of the synthesized Combretastatin A4 analogue as revealed from this study could be related to the anticancer activity of the Combretastatin A4.
}, keywords = {benzil, bio-physical, combretastatin A-4, crystal structure, DNA binding, ethidium bromide, fluorescence, phenazones}, issn = {0011-1643}, doi = {10.5562/cca2662}, author = {Rizvi, Masood Ahmad and Dangat, Yuvraj B. and Yaseen, Zahid and Gupta, Vivek and Khan, Khaliquz Zaman} } @article { ISI:000355856200084, title = {Synthesis, DNA interaction and anticancer activity of 2-anthryl substituted benzimidazole derivatives}, journal = {New Journal of Chemistry}, volume = {39}, number = {6}, year = {2015}, month = {APR}, pages = {4882-4890}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
2-Anthryl benzimidazole derivatives (5-7) with hydrogen, carboxyl and benzoyl substituents at the 5th position have been synthesized using a silica supported periodic acid catalyst. The DNA cleavage activity of 5-7 was studied in the presence of light using pBR322 plasmid DNA and was shown to vary with substitution at the 5th position of benzimidazole derivatives. DNA binding studies using ethidium bromide displacement assay demonstrated the non-intercalative binding mode of 5-7. The anticancer activity of these target molecules was tested against MCF-7 and HL-60 cell lines, and they exhibited remarkable activity in the micromolar range. Cellular uptake and morphological changes were confirmed by fluorescence and confocal microscopy. A molecular docking study was carried out to explore the DNA binding mechanism of 5-7.
}, issn = {1144-0546}, doi = {10.1039/c4nj02415j}, author = {Sontakke, Vyankat A. and Kate, Anup N. and Ghosh, Sougata and More, Piyush and Gonnade, Rajesh G. and Kumbhar, Navanath M. and Kumbhar, Anupa A. and Chopade, Balu Ananda and Shinde, Vaishali S.} } @article { ISI:000351584500007, title = {Synthesis of 3-ethyl-4-metyl-1h,5-dihydro-2h-pyrrol-2-one by novel palladium(ii)-catalyzed cyclization and ring-closing metathesis}, journal = {Synthesis-Stuttgart}, volume = {47}, number = {7}, year = {2015}, month = {APR}, pages = {955-960}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Synthesis of 3-ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one is described starting from commercially available allylamine and 4-methoxybenzylamine employing palladium-catalyzed cyclization or ring-closing metathesis as the key steps.
}, keywords = {antidiabetic, cyclization, glimepiride, lactams, metabolite, pyrrolinone, Ring-closing metathesis}, issn = {0039-7881}, doi = {10.1055/s-0034-1379985}, author = {Chavan, Subhash P. and Pathak, Ashok B. and Pawar, Kailash P.} } @article { ISI:000366209800015, title = {Synthesis of 3-Thia-1-dethiacephems via Regioselective Iodocyclization Reaction}, journal = {Synthesis-Stuttgart}, volume = {47}, number = {24}, year = {2015}, month = {DEC}, pages = {3956-3962}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
The key N-homopropargylthiourea intermediates, N-substituted 2-oxo-4-propargylazetidine-1-carbothioamides, were prepared by the reaction of a 4-propargylazetidin-2-one with isothiocyanates. Bicyclic -lactams, i.e. 3-thia-1-dethiacephems, were prepared via highly regioselective iodocyclization reaction of N-substituted 2-oxo-4-propargylazetidine-1-carbothioamides with molecular iodine at room temperature in moderate to excellent yields. A variety of functional groups were well tolerated under the reaction conditions.
}, keywords = {-lactams, 3-thia-1-dethiacephems, Iodocyclization, Regioselective, thiourea}, issn = {0039-7881}, doi = {10.1055/s-0035-1560350}, author = {Garud, Dinesh R. and Rode, Navnath D. and Bathe, Sagar R. and Ranpise, Vinod S. and Joshi, Ramesh A. and Joshi, Rohini R. and Koketsu, Mamoru} } @article { ISI:000360597400020, title = {Synthesis of (+/-) debenzoyl analogs of norsampsones as potential anticancer agents}, journal = {Tetrahedron Letters}, volume = {56}, number = {37}, year = {2015}, month = {SEP}, pages = {5235-5237}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Synthesis of (+/-) debenzoyl analogs of norsampsones 1 and 2 is reported starting from commercially available 1,3-cyclohexadione in six steps with overall yields of 37\% and 36\%, respectively. Compounds 1 and 2 were tested for their anticancer activity and showed moderate anticancer activity against HeLa cell lines. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Acylphloroglucinols, Anticancer, Debenzoyl, Norsampsones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.07.057}, author = {Jadhav, Amol R. and Thombal, Raju S. and Nigam, Preeti and Jadhav, Vrushali H.} } @proceedings {42929, title = {Synthesis of GdB6 nanostructures using nanosecond (Nd: YAG) laser: field emission investigation}, year = {2015}, month = {JUL}, pages = {122-123}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {Guangzhou, Peoples R China}, abstract = {
We herein report field emission characteristics of GdB6 nanostructures grown directly on a pellet via laser processing (laser fluence similar to 6 J/cm(2)). The laser processed GdB6 pellet was characterized by X-ray diffraction, which revealed no change in phase upon laser processing. The values of the turn-on field required to draw emission current density of 1 mu A/cm(2) is found to be similar to 2.95 V/mu m, for the laser processed GdB6 emitter. Furthermore, the Fowler-Nordheim (F-N) plot exhibits non-linear behavior over the entire range of applied field and the field enhancement factor (beta) calculated from slope of the F-N plot (low field region) was found to be similar to 543. The emission current stability over a period of 3h was observed to be fairly good. The observed results demonstrate that laser processing can be efficiently used to make GdB6 nanostructure emitter having potential for practical applications.
}, author = {Suryawanshi, S. R. and Late, Dattatray J. and More, Mahendra A. and Singh, Anil K. and Sinha, S.} } @article {43035, title = {Synthesis of N, F and S co-doped graphene quantum dots}, journal = {Nanoscale}, volume = {7}, year = {2015}, month = {MAY}, pages = {11515-11519}, abstract = {
Graphene quantum dots (GQDs) are a promising category of materials with remarkable size dependent properties like tunable bandgap and photoluminescence along with the possibility of effective chemical functionalization. Doping of GQDs with heteroatoms is an interesting way of regulating their properties. Herein, we report a facile and scalable one-step synthesis of luminescent GQDs, substitutionally co-doped with N, F and S, of similar to 2 nm average size by a microwave treatment of multi-walled carbon nanotubes in a customized ionic liquid medium. The use of an ionic liquid coupled with the use of a microwave technique enables not only an ultrafast process for the synthesis of co-doped GQDs, but also provides excellent photoluminescence quantum yield (70\%), perhaps due to the interaction of defect clusters and dopants.
}, author = {Kundu, Sumana and Yadav, Ram Manohar and Narayanan, T. N. and Shelke, Manjusha V. and Vajtai, Robert and Ajayan, Pulickel M. and Pillai, Vijayamohanan K.} } @article { ISI:000364435000072, title = {Synthesis of N-aryl beta-amino alcohols by trifluoroacetic acid promoted multicomponent coupling of aziridines, arynes, and water}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {21}, year = {2015}, month = {NOV}, pages = {11131-11137}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A transition-metal-free, three-component coupling involving N-substituted aziridines, arynes, and water promoted by trifluoroacetic acid (TFA) has been reported. The reaction furnished medicinally important N-aryl beta-amino alcohol derivatives in moderate to good yields. In addition, the use of azetidines in this reaction afforded N-aryl gamma-amino alcohol derivatives.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b01798}, author = {Roy, Tony and Baviskar, Dnyaneshwar R. and Biju, Akkattu T.} } @article { ISI:000355036400034, title = {Synthesis of naturally occurring (+)-osmundalactone and 4-epi-(+)-osmundalactone from triacetyl-O-D-glucal}, journal = {Tetrahedron Letters}, volume = {56}, number = {21}, year = {2015}, month = {MAY}, pages = {2783-2786}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An efficient total synthesis of (+)-osmundalactone 1 has been achieved starting from readily available triacetyl-O-D-glucal 6 employing Ferrier rearrangement and Jones oxidation as key steps. Also, synthesis of 4-epi-(+)-osmundalactone 2 was accomplished from the common key intermediate 9. The absolute stereochemistry of (+)-osmundalactone 1 and a precursor of 4-epi-(+)-osmundalactone 2 have been established by single crystal X-ray analysis. The overall yield of compound 1 and 2 from triacetyl-O-D-glucal 6 is 13\% and 8\%, respectively. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Bioactive molecules, carbohydrates, D-glucal, Ferrier rearrangement, Pyrones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.04.038}, author = {Kotammagari, Tharun K. and Gonnade, Rajesh G. and Bhattacharya, Asish K.} } @article {45942, title = {Synthesis of non-toxic triethyl citrate plasticizer by esterification of renewable citric acid using modified zeolite}, journal = {Clean-Soil Air Water}, volume = {43}, year = {2015}, month = {JUN}, pages = {927-931}, type = {Article}, abstract = {
Triethyl citrate (TEC), a non-toxic plasticizer, was synthesized by esterification of renewable citric acid (CA, from entire waste of oranges) with ethanol over modified H-ZSM-5 (HZ-5) zeolite. Different micro-meso composites (M-HZ-5) with varying crystallinities were prepared by alkaline treatment of HZ-5. M-HZ-5(0.6) (87\% crystallinity) was observed to be a potential and environmentally benign catalyst with 96\% CA conversion, 64\% TEC selectivity (61.44\% TEC yield), and a reusability of six cycles. The probable catalytic mechanism of esterification was also proposed.
}, keywords = {Biowaste, Catalysts, green chemistry, Micro-mesopre composites, reusability}, issn = {1863-0650}, doi = {10.1002/clen.201400189}, author = {Nandiwale, Kakasaheb Y. and Borikar, Sanjay P. and Bokade, Vijay V.} } @article { ISI:000356927800001, title = {Synthesis of novel N-cyclopentenyl-lactams using the aube reaction}, journal = {Beilstein Journal of Organic Chemistry}, volume = {11}, year = {2015}, month = {JUN}, pages = {1060-1067}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {
A novel and convenient method utilizing the Aube reaction to access a new class of compounds that are similar to carbocyclic nucleosides is reported. The azido alcohol derived from Vince lactam undergoes the Aube reaction with various cyclic ketones to give cyclopentenyl-substituted lactams. Upon dihydroxylation, this affords the N-cyclopentenyl-lactam compounds in racemic form. Given the numerous uses of nucleosides and related compounds, we were interested in the synthesis of carbocylic nucleoside mimics. The attempts and results are described herein.
}, keywords = {Aube reaction, Biological activity, carbocyclic nucleosides, cyclopentenylated lactams, cyclopentylated lactams}, issn = {1860-5397}, doi = {10.3762/bjoc.11.119}, author = {Shinde, Madhuri V. and Ople, Rohini S. and Sangtani, Ekta and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000350698600007, title = {Synthesis of novel silica-polyimide nanocomposite films using aromatic-amino modified silica nanoparticles: mechanical, thermal and morphological investigations}, journal = {Express Polymer Letters}, volume = {9}, number = {5}, year = {2015}, month = {MAY}, pages = {469-479}, publisher = {BUDAPEST UNIV TECHNOL \& ECON}, address = {DEPT POLYMER ENG, MUEGYETEM RKP 3, BUDAPEST, H-1111, HUNGARY}, abstract = {
Silica nanoparticles were modified with aromatic amino groups and modified-silica/polyimide composite films were prepared using them. 3,3!, 4,4!-Benzophenone tetracarboxylic dianhydride (BTDA) and 4,4!-oxydianiline (ODA) were used as precursors for polyimide matrix. The structures of the modified nanoparticles and hybrid nanocomposites were identified using Fourier Transform Infrared (FTIR) spectrometry. The hybrid composite films were evaluated for mechanical, thermal and morphological characteristics. Morphological results describe a uniform dispersion of silica particles in the polymer matrix. The thermal stability and mechanical properties of polyimide composite were improved, and the decomposition temperature was increased when the amount of silica nanoparticles was increased.
}, keywords = {hybrid polyimide composites, mechanical properties, Nanocomposites, nanoparticle modification, Thermal properties}, issn = {1788-618X}, doi = {10.3144/expresspolymlett.2015.44}, author = {Ghorpade, Ravindra V. and Rajan, C. R. and Chavan, Nayaku and Ponrathnam, S.} } @article { ISI:000350219700005, title = {Synthesis of yangjinhualine A}, journal = {Synthesis-Stuttgart}, volume = {47}, number = {4}, year = {2015}, month = {FEB}, pages = {485-488}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Selective reduction of 3-(4-hydroxyphenyl)-2-methylmaleic anhydride provides access the corresponding gamma-hydroxybutenolide natural product yangjinhualine A.
}, keywords = {anhydrides, lactones, Natural products, reduction, Regioselectivity}, issn = {0039-7881}, doi = {10.1055/s-0034-1379582}, author = {Deore, Prashant S. and Batwal, Ramesh U. and N. P. Argade} } @article { ISI:000358337700009, title = {Synthesis, optoelectronic, and transistor properties of BODIPY- and cyclopenta[c]thiophene-containing pi-conjugated copolymers}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {28}, year = {2015}, month = {JUL}, pages = {15859-15867}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Three new low-band-gap copolymers were synthesized by fusing dipyrromethene difluoroborane (BODIPY) as the acceptor (A) and thiophene-capped 5,5-bis(hexyloxymethyl)-5,6-dihydro-4H-cyclopenta[c]-thiophene (CPT) as the donor (D). The BODIPY unit was copolymerized through the {\textquoteleft}alpha{\textquoteright} positions (1 and 7 positions) in P1 and through the {\textquoteleft}beta{\textquoteright} positions (2 and 6 positions) in P2 and P3. The additional acetylene unit between D and A in P3 enhanced the conjugation by minimizing the possible steric hindrance compared to that in P2, whereas P1 exhibited a more red-shifted absorption than P2 and P3 because of the more effective conjugaion through the {\textquoteleft}alpha{\textquoteright} positions of BODIPY. Importantly, the optical band gaps (E-g(opt)) obtained from the onset of the absorption spectra are 1.28, 1.71, and 1.57 eV for P1, P2, and P3, respectively. P1 has the lowest band gap for any CPT-containing polymer. In the best transistor devices, a mobility improvement by 4 orders of magnitude from 3.22 x 10(-6) cm(2) V-1 s(-1) for P2 to 0.01 cm(2) V-1 s(-1) for P1 was achieved. DFT calculations alongside measured charge-transport properties indicated that appreciable alterations in the optoelectronic properties of the polymers were achieved through minor changes in their structural features. The polymers were further characterized by thin-film X-ray diffraction, atomic force microscopy, and spectroelectrochemistry to investigate their material and electrochemical properties.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b02743}, author = {Debnath, Sashi and Singh, Saumya and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article { ISI:000363970700011, title = {Synthetic biological circuits: digital or analog?}, journal = {Current Science}, volume = {109}, number = {8}, year = {2015}, month = {OCT}, pages = {1386-1387}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Busupalli, Balanagulu} } @article { ISI:000361649900037, title = {Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities (vol 635, pg 168, 2015)}, journal = {Chemical Physics Letters}, volume = {636}, year = {2015}, month = {SEP}, pages = {228-229}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0009-2614}, doi = {10.1016/j.cplett.2015.08.034}, author = {Karne, Anagha S. and Vaval, Nayana and Pal, Sourav and Vasquez-Perez, Jose M. and Koester, Andreas M. and Calaminici, Patrizia} } @article { ISI:000362239300030, title = {Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities}, journal = {Chemical Physics Letters}, volume = {635}, year = {2015}, month = {AUG}, pages = {168-173}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A comparative study of dipole moments, polarizabilities and hyperpolarizabilities of 16 different molecules is performed employing two completely different theoretical approaches namely, density functional theory (DFT) and coupled cluster singles and doubles (CCSD). Both methods include electron correlation. The CCSD method is more accurate but highly expensive. DFT with auxiliary density allows non-iterative solutions which is computational advantage and useful for large molecules. Dipole moments and polarizability calculations from DFT are in very good agreement with CCSD calculations. However, negative hyperpolarizability values from DFT differ significantly from their CCSD counterparts, whereas positive hyperpolarizabilities show reasonable agreement between these methodologies. (C) 2015 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2015.06.046}, author = {Karne, Anagha S. and Vaval, Nayana and Pal, Sourav and Vasquez-Perez, Jose M. and Koester, Andreas M. and Calaminici, Patrizia} } @article { ISI:000353057300005, title = {Systemic jasmonic acid modulation in mycorrhizal tomato plants and its role in induced resistance against alternaria alternata}, journal = {Plant Biology}, volume = {17}, number = {3}, year = {2015}, month = {MAY}, pages = {625-631}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Tomato plants colonised with the arbuscular mycorrhizal (AM) fungus Glomus fasciculatum show systemic induced resistance to the foliar pathogen Alternaria alternata, as observed in interactions of other AM-colonised plants with a range of pathogens. The role of jasmonic (JA) and salicylic (SA) acid in expression of this mycorrhiza-induced resistance (MIR) against A.alternata was studied by measuring: (i) activity of enzymes reported to be involved in their biosynthesis, namely lipoxygenase (LOX) and phenylammonia lyase (PAL); and (ii) levels of methyl jasmonate (MeJA) and SA. Transcript abundance of some defence genes associated with JA and SA response pathways were also studied. Both LOX and PAL activity increased twofold in response to pathogen application to control plants. AM-colonised plants had three-fold higher LOX activity compared to control plants, but unlike controls, this did not increase further in response to pathogen application. Higher LOX activity in AM-colonised plants correlated with four-fold higher MeJA in leaves of AM-colonised plants compared to controls. Treatment of plants with the JA biosynthesis inhibitor salicylhydroxamic acid (SHAM) led to 50\% lower MeJA in both control and AM-colonised plants and correlated with increased susceptibility to A.alternata, suggesting a causal role for JA in expression of MIR against the pathogen. Genes involved in JA biosynthesis (OPR3) and response (COI1) showed six- and 42-fold higher expression, respectively, in leaves of AM-colonised plants compared to controls. AM-colonised plants also showed increased expression of the SA response gene PR1 and that of the wound-inducible polypeptide prosystemin. Our results suggest that the systemic increase in JA in response to AM colonisation plays a key role in expression of MIR against A. alternata.
}, keywords = {Alternaria alternata, AM colonisation, induced resistance, Methyl jasmonate, salicylhydroxamic acid, Salicylic acid, Solanum lycopersicum}, issn = {1435-8603}, doi = {10.1111/plb.12277}, author = {Nair, A. and Kolet, Swati P. and Thulasiram, H. V. and Bhargava, S.} } @article { ISI:000354108200006, title = {Tailor made ionic liquids: catalyst and media for organic transformations}, journal = {Current Organic Chemistry}, volume = {19}, number = {8}, year = {2015}, month = {FEB}, pages = {728-742}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Ionic liquids are considered as one of the safe, green and environmentally benign solvents/catalysts for many organic reactions. Particularly, imidazolium based ionic liquids attracted much attention in basic as well as applied research. The major role of these ionic liquids is the replacement of the existing corrosive solvents, which are largely used in most of the organic processes and make these processes more eco-friendly. Recent report reveals the importance of imidazolium based ionic liquids, supported on silica gel or polystyrene in catalysis. The solid supports have well versed properties such as easy anchoring of ionic liquid, chemically and mechanically very stable and inert in nature. These ionic liquids can be tailored either by covalent attachment or simple deposition of the ionic liquid on the surface of the support. Both approaches showed enhanced reactivity and selectivity for various reactions. In this review, we made an attempt to review the recent reports related to synthesis and applications of tailor made ionic liquids and their use as catalyst in Aldol, Friedel-Crafts alkylation, hydroformylation, nucleophilic substitution and biomass transformation reactions.
}, keywords = {Green solvent, heterogeneous catalyst, organic transformation, sustainable process, task-specific ionic liquids}, issn = {1385-2728}, author = {Chandra, Prakash and Shinde, Sandip S. and Biradar, Ankush V.} } @article { ISI:000354438400001, title = {Tale of RNA G-quadruplex}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {20}, year = {2015}, month = {APR}, pages = {5570-5585}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
G-quadruplexes are non-canonical secondary structures found in guanine rich regions of DNA and RNA. Reports have indicated the wide occurrence of RNA G-quadruplexes across the transcriptome in various regions of mRNAs and non-coding RNAs. RNA G-quadruplexes have been implicated in playing an important role in translational regulation, mRNA processing events and maintenance of chromosomal end integrity. In this review, we summarize the structural and functional aspects of RNA G-quadruplexes with emphasis on recent progress to understand the protein/trans factors binding these motifs. With the revelation of the importance of these secondary structures as regulatory modules in biology, we have also evaluated the various advancements towards targeting these structures and the challenges associated with them. Apart from this, numerous potential applications of this secondary motif have also been discussed.
}, issn = {1477-0520}, doi = {10.1039/c4ob02681k}, author = {Agarwala, Prachi and Pandey, Satyaprakash and Maiti, Souvik} } @article { ISI:000350754400004, title = {Target cum flexibility: synthesis of indolo[1,2-b]isoquinoline derivatives via cobalt-catalyzed [2+2+2] cyclotrimerization}, journal = {Synlett}, volume = {26}, number = {5}, year = {2015}, month = {MAR}, pages = {604-608}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A modular approach for the synthesis of small molecules having the unnatural 6,11-dihydroindolo[1,2-b]isoquinoline tetracyclic core has been documented. An acid-catalyzed Friedel-Crafts-type C2-alkylation of N-propargyl indole with a suitably activated alkynol has been used to prepare the key indole-derived diynes. The cobalt-catalyzed [2+2+2] cyclotrimerization of these diynes has been studied with various internal/terminal alkynes and with nitriles.
}, keywords = {2-b]-isoquinoline, cobalt, Indole, indolo[1, Pyridine, [2+2+2] cyclotrimerization}, issn = {0936-5214}, doi = {10.1055/s-0034-1379950}, author = {Swami, Anuradha and Ramana, Chepuri V.} } @article { ISI:000362437900092, title = {Targeting a chemorefractory COLO205 (BRAF V600E) cell line using substituted benzo[alpha]phenoxazines}, journal = {RSC Advances}, volume = {5}, number = {100}, year = {2015}, month = {SEP}, pages = {82549-82563}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Mutational activations of the oncogene BRAF (especially BRAF V600E) result in a poor prognosis for colon cancer patients and are associated with chemoresistance rendering them refractory to treatment. The development of novel bioactive compounds with specific targeting abilities under such conditions is an urgent need in drug discovery. In this report we synthesize and characterize three fluorescent benzo[alpha]phenoxazine compounds (10R-benzo[alpha]phenoxazine-5-one, 1B; R = Cl, 2B; R = CH3, 3B; R = H) and their anticancer activities are evaluated in a COLO205 cell line. All three compounds with a log P value around 2 were cell permeable. However, 2B and 3B showed specific cytotoxicity in a malignant COLO205 cell line with a BRAF mutation (V600E) in comparison to a non-malignant wild-type BRAF HEK293T cell line. From further cell-based assays (cell cycle analysis, DNA fragmentation and caspase activation), we conclude that 2B and 3B treatment-induced selective cell death by inducing cell cycle arrest at the G0/G1 phase and caspase-mediated apoptosis (activation of the intrinsic and extrinsic pathways) are present only in BRAF V600E COLO205 cells. Further studies in the drug discovery pipeline might help develop these benzo[alpha]phenoxazines as promising chemotherapeutics for such refractory mutated cancers.
}, issn = {2046-2069}, doi = {10.1039/c5ra14949e}, author = {Pal, Sanjima and Konkimalla, V. Badireenath and Kathawate, Laxmi and Rao, Soniya S. and Gejji, Shridhar P. and Puranik, Vedavati G. and Weyhermueller, Thomas and Salunke-Gawali, Sunita} } @article { ISI:000347890900011, title = {Targeting dormant tuberculosis bacilli: results for molecules with a novel pyrimidone scaffold}, journal = {Chemical Biology \& Drug Design}, volume = {85}, number = {2}, year = {2015}, month = {FEB}, pages = {201-207}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Our inability to completely control TB has been due in part to the presence of dormant mycobacteria. This also renders drug regimens ineffective and is the prime cause of the appearance of drug-resistant strains. In continuation of our efforts to develop novel antitubercular agents that especially target dormant mycobacteria, a set of 55 new compounds belonging to the pyrimidone class were designed on the basis of CoMFA and CoMSIA studies, and these were synthesized and subsequently tested against both the dormant and virulent BCG strain of M.tuberculosis. Some novel compounds have been identified which selectively inhibit the dormant tuberculosis bacilli with significantly low IC50 values. This study reports the second molecule after TMC-207, having the ability to inhibit tuberculosis bacilli exclusively in its dormant phase. The synthesis was accomplished by a modified multicomponent Biginelli reaction. A classification model was generated using the binary QSAR approach - recursive partitioning (RP) to identify structural characteristics related to the activity. Physicochemical, structural, topological, connectivity indices, and E-state key descriptors were used for generation of the decision tree. The decision tree could provide insights into structure-activity relationships that will guide the design of more potent inhibitors.
}, keywords = {Antitubercular activity, dormant tuberculosis bacilli, pyrimidones, recursive partitioning}, issn = {1747-0277}, doi = {10.1111/cbdd.12373}, author = {Joshi, Rohit R. and Barchha, Avinash and Khedkar, Vijay M. and Pissurlenkar, Raghuvir R. S. and Sarkar, Sampa and Sarkar, Dhiman and Joshi, Rohini R. and Joshi, Ramesh A. and Shah, Anamik K. and Coutinho, Evans C.} } @article { ISI:000362460800031, title = {Temperature and magnetic field-assisted switching of magnetization and observation of exchange bias in YbCrO3 nanocrystals}, journal = {Inorganic Chemistry}, volume = {54}, number = {19}, year = {2015}, month = {OCT}, pages = {9509-9516}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this paper, we demonstrate an interesting feature in YbCrO3 (YCO) nanocrystals, in which the material shows temperature and external magnetic field-assisted switching (a complete sign reversal) of zero field cooled magnetization (M-ZFC) and observation of exchange bias (EB) as a result of competing spin interaction at low temperature. This feature can be applied in nonvolatile memories, where, simply by changing the magnitude of the H-ext and T, the polarity of the magnetization can be switched between negative and positive. We also observed negative magnetization in YCO. Our results showed that, below its Neel temperature (T-N approximate to 119 K), the M-ZFC crosses over to negative sign for H \< 1000 Oe. At 60 K, YCO showed a significant negative M-ZFC approximate to -0.05 emu/g (at 100 Oe) due to the competing effects of Yb3+, Cr3+ spins, thermal activation energy, and Hext. At further lower temperatures, the M-ZFC showed a crossover to positive values, and the crossover temperature showed the dependence on H-ext (similar to 19 K for 100 Oe curve). The YCO also showed H-ext T-dependent H-EB, which changed its sign with T. The observed T-dependent sign reversal in the EB was closely associated with the sign reversal of M-ZFC. The symmetric shift in field-cooled isothermal hysteresis curves confirmed that the observed EB was not due to the unsaturated minor loop. The training cycle further confirmed that the H-EB value decreased to similar to 2\% of the initial value of observed EB, which was very small compared to the observed H-EB in YCO, which indicated stable spin configuration at the locally formed ferromagnetic/antiferromagnetic interface.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b01448}, author = {Gupta, Preeti and Poddar, Pankaj} } @article { ISI:000351420300028, title = {Temperature dependent phonon shifts in few-layer black phosphorus}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {10}, year = {2015}, month = {MAR}, pages = {5857-5862}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Atomically thin two-dimensional (2D) sheets of black phosphorus have attracted much attention due to their potential for future nanoelectronic and photonics device applications. Present investigations deal with the temperature dependent phonon shifts in a few-layer black phosphorus nanosheet sample prepared using micromechanical exfoliation on a 300 nm SiO2/Si substrate. The temperature dependent Raman spectroscopy experiments were carried out on a few-layer black phosphorus sample, which depicts softening of Ag-1 B-2g, and A(g)(2) modes as temperature increases from 77 to 673 K. The calculated temperature coefficients for Ag-1, B-2g, and A(g)(2) modes of the few-layer black phosphorus nanosheet sample were observed to be -0.01, -0.013, and -0.014 cm(-1) K-1, respectively. The temperature dependent softening modes of black phosphorus results were explained on the basis of a double resonance process which is more active in an atomically thin sample. This process can also be fundamentally pertinent in other promising and emerging 2D ultrathin layer and heterostructured materials.
}, keywords = {black phosphorus, layered materials, phonon vibrations, Raman spectroscopy, thermal effect}, issn = {1944-8244}, doi = {10.1021/am509056b}, author = {Late, Dattatray J.} } @article { ISI:000364355500044, title = {Temperature-dependent raman spectroscopy of titanium trisulfide (TiS3) nanoribbons and nanosheets}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {43}, year = {2015}, month = {NOV}, pages = {24185-24190}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Titanium trisulfide (TiS3) has recently attracted the interest of the 2D community because it presents a direct bandgap of similar to 1.0 eV, shows remarkable photoresponse, and has a predicted carrier mobility up to 10000 cm(2) V-1 s(-1). However, a study of the vibrational properties of TiS3, relevant to understanding the electron-phonon interaction that can be the main mechanism limiting the charge carrier mobility, is still lacking. In this work, we take the first steps to study the vibrational properties of TiS3 through temperature-dependent Raman spectroscopy measurements of TiS3 nanoribbons and nanosheets. Our investigation shows that all the Raman modes linearly soften (red shift) as the temperature increases from 88 to 570 K due to anharmonic vibrations of the lattice, which also includes contributions from the lattice thermal expansion. This softening with the temperature of the TiS3 modes is more pronounced than that observed in other 2D semiconductors, such as MoS2, MoSe2, WSe2, and black phosphorus (BP). This marked temperature dependence of the Raman spectra could be exploited to determine the temperature of TiS3 nanodevices by using Raman spectroscopy as a noninvasive and local thermal probe. Interestingly, the TiS3 nanosheets show a stronger temperature dependence of the Raman modes than the nanoribbons, which we attribute to lower interlayer coupling in the nanosheets.
}, keywords = {2D semiconductors, layered materials, Raman spectroscopy, thermal effect, TiS3 nanoribbons, TiS3 nanosheets}, issn = {1944-8244}, doi = {10.1021/acsami.5b07492}, author = {Pawbake, Amit S. and Island, Joshua O. and Flores, Eduardo and Ramon Ares, Jose and Sanchez, Carlos and Ferrer, Isabel J. and Jadkar, Sandesh R. and van der Zant, Herre S. J. and Castellanos-Gomez, Andres and Late, Dattatray J.} } @article { ISI:000363023500010, title = {Temporal protein expression pattern in intracellular signalling cascade during T-cell activation: a computational study}, journal = {Journal of Biosciences}, volume = {40}, number = {4}, year = {2015}, month = {OCT}, pages = {769-789}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Various T-cell co-receptor molecules and calcium channel CRAC play a pivotal role in the maintenance of cell{\textquoteright}s functional responses by regulating the production of effector molecules (mostly cytokines) that aids in immune clearance and also maintaining the cell in a functionally active state. Any defect in these co-receptor signalling pathways may lead to an altered expression pattern of the effector molecules. To study the propagation of such defects with time and their effect on the intracellular protein expression patterns, a comprehensive and largest pathway map of T-cell activation network is reconstructed manually. The entire pathway reactions are then translated using logical equations and simulated using the published time series microarray expression data as inputs. After validating the model, the effect of in silico knock down of co-receptor molecules on the expression patterns of their downstream proteins is studied and simultaneously the changes in the phenotypic behaviours of the T-cell population are predicted, which shows significant variations among the proteins expression and the signalling routes through which the response is propagated in the cytoplasm. This integrative computational approach serves as a valuable technique to study the changes in protein expression patterns and helps to predict variations in the cellular behaviour.
}, keywords = {Boolean model, co-receptors and CRAC channel, synchronous and asynchronous simulation, T-cell signalling pathway, temporal gene expression patterns}, issn = {0250-5991}, doi = {10.1007/s12038-015-9561-1}, author = {Ganguli, Piyali and Chowdhury, Saikat and Bhowmick, Rupa and Sarkar, Ram Rup} } @article { ISI:000358624200005, title = {Terahertz spectroscopy and solid-state density functional theory calculations of cyanobenzaldehyde isomers}, journal = {Journal of Physical Chemistry A}, volume = {119}, number = {29}, year = {2015}, month = {JUL}, pages = {7991-7999}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Spectral signatures in the terahertz (THz) frequency region are mainly due to bulk vibrations of the molecules. These resonances are highly sensitive to the relative position of atoms in a molecule as well as the crystal packing arrangement. To understand the variation of THz resonances, THz spectra (2-10 THz) of three structural isomers: 2-, 3-, and 4-cyanobenzaldehyde have been studied. THz spectra obtained from Fourier transform infrared (FTIR) spectrometry of these isomers show that the resonances are distinctly different especially below 5 THz. For understanding the intermolecular interactions due to hydrogen bonds, four molecule cluster simulations of each of the isomers have been carried out using the B3LYP density functional with the 6-31G(d,p) basis set in Gaussian09 software and the compliance constants are obtained. However, to understand the exact reason behind the observed resonances, simulation of each isomer considering the full crystal structure is essential. The crystal structure of each isomer has been determined using X-ray diffraction (XRD) analysis for carrying out crystal structure simulations. Density functional theory (DFT) simulations using CRYSTAL14 software, utilizing the hybrid density functional B3LYP, have been carried out to understand the vibrational modes. The bond lengths and bond angles from the optimized structures are compared with the XRD results in terms of root-mean-square-deviation (RMSD) values. Very low RMSD values confirm the overall accuracy of the results. The simulations are able to predict most of the spectral features exhibited by the isomers. The results show that low frequency modes (\<3 THz) are mediated through hydrogen bonds and are dominated by intermolecular vibrations.
}, issn = {1089-5639}, doi = {10.1021/acs.jpca.5b01942}, author = {Dash, Jyotirmayee and Ray, Shaurnik and Nallappan, Kathirvel and Kaware, Vaibhav and Basutkar, Nitin B. and Gonnade, Rajesh G. and Ambade, Ashootosh V. and Joshi, Kavita and Pesala, Bala} } @article { ISI:000362679300001, title = {Themed issue on {\textquoteleft}{\textquoteleft}Organic field-effect transistors: interfacial phenomena and electronic properties{\textquoteright}{\textquoteright}}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {40}, year = {2015}, month = {SEP}, pages = {26509-26511}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {1463-9076}, doi = {10.1039/c5cp90162f}, author = {Krishnamoorthy, K. and Facchetti, Antonio F. and Hu, Wenping and Bao, Zhenan} } @article { ISI:000354735600005, title = {Theoretical insight of nitric oxide adsorption on neutral and charged Pd-n (n=1-5) clusters}, journal = {International Journal of Quantum Chemistry}, volume = {115}, number = {13}, year = {2015}, month = {JUL}, pages = {837-845}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Density functional theory (DFT) calculations within the framework of generalized gradient approximation have been used to systematically investigate the adsorption of nitric oxide (NO) molecule on neutral, cationic, and anionic Pd-n (n=1-5) clusters. NO coordinate to one Pd atom of the cluster by the end-on mode, where the tilted end-on structure is more favorable due to the additional electron in the * orbital. On the contrary, in the neutral and cationic Pd-2 system, NO coordinates to the bridge site of cluster preferably by the side-on mode. Charge transfer between Pd clusters and NO molecule and the corresponding weakening of NO bond is an essential factor for the adsorption. The NO stretching frequency follow the order of cationic\>neutral\>anionic. Binding energy of NO on anionic clusters is found to be greater than those of neutral and cationic clusters. (c) 2015 Wiley Periodicals, Inc.
}, keywords = {Density functional theory, electronic property, geometric configuration, NO adsorption, small palladium cluster}, issn = {0020-7608}, doi = {10.1002/qua.24914}, author = {Begum, Pakiza and Gogoi, Pranjal and Mishra, Bhupesh Kumar and Deka, Ramesh Chandra} } @article { ISI:000346236000077, title = {Thermodynamic and kinetic characterization of transmembrane helix association}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {2}, year = {2015}, month = {NOV}, pages = {1390-1398}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The transient dimerization of transmembrane proteins is an important event in several cellular processes and computational methods are being increasingly used to quantify their underlying energetics. Here, we probe the thermodynamics and kinetics of a simple transmembrane dimer to understand membrane protein association. A multi-step framework has been developed in which the dimerization profiles are calculated from coarse-grain molecular dynamics simulations, followed by meso-scale simulations using parameters calculated from the coarse-grain model. The calculated value of Delta G(assoc) is approx. -20 kJ mol(-1) and is consistent between three methods. Interestingly, the meso-scale stochastic model reveals low dimer percentages at physiologically-relevant concentrations, despite a favorable Delta G(assoc). We identify generic driving forces arising from the protein backbone and lipid bilayer and complementary factors, such as protein density, that govern self-interactions in membranes. Our results provide an important contribution in understanding membrane protein organization and linking molecular, nano-scale computational studies to meso-scale experimental data.
}, issn = {1463-9076}, doi = {10.1039/c4cp03732d}, author = {Pawar, Aiswarya B. and Deshpande, Sneha A. and Gopal, Srinivasa M. and Wassenaar, Tsjerk A. and Athale, Chaitanya A. and Sengupta, Durba} } @article { ISI:000363005100025, title = {Thermotropic liquid crystalline polyesters derived from bis-(4-hydroxybenzoyloxy)-2-methyl-1,4-benzene and aliphatic dicarboxylic acid chlorides}, journal = {Bulletin of Materials Science}, volume = {38}, number = {5}, year = {2015}, month = {SEP}, pages = {1301-1308}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
A series of thermotropic liquid crystalline polyesters derived from bis-(4-hydroxybenzoyloxy)-2-methyl-1,4-benzene(BHBOMB) and aliphatic dicarboxylic acid chlorides were investigated. All these polyesters were synthesized by interfacial polycondensation method and characterized by differential scanning calorimetry and wide-angle X-ray diffractometer. These polyesters consist of BHBOMB as a mesogenic diol and aliphatic diacid chlorides were used as flexible spacers. The length of oligomethylene units in polymer was varied from the trimethylene to the dodecamethylene groups. The transition temperatures and thermodynamic properties were studied for all these polymers. All these polyesters were soluble in chlorinated solvents such as chloroform, dichloromethane, dichloroethane, etc. More importantly, all these polyesters exhibited very large mesophase stability.
}, keywords = {dicarboxylic acid chloride, interfacial polycondensation, Liquid crystalline polyesters, rigid diol, thermotropic}, issn = {0250-4707}, author = {Mulani, Khudbudin Baban and Momin, Mohasin Shamshuddin and Ganjave, Nitin V. and Chavan, Nayaku} } @article { ISI:000366878300084, title = {Three-component coupling involving arynes, aromatic tertiary amines, and aldehydes via aryl-aryl amino group migration}, journal = {Organic Letters}, volume = {17}, number = {24}, year = {2015}, month = {DEC}, pages = {6270-6273}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The transition-Metal-free multicomponent coupling of arynes, aromatic tertiary amines, and aldehydes proceeding via the aryl to aryl amino group migration has been demonstrated. This protocol allows rapid access to ortho-functionalized tertiary amines in moderate to good yields. Moreover, activated ketones can also be used as the aldehyde Component in the present reaction. The similarity of the aryl-aryl tertiary amino group migration with the Smiles rearrangement is striking.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b03319}, author = {Bhojgude, Sachin Suresh and Baviskar, Dnyaneshwar R. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000364074300007, title = {Titanium superoxide - a stable recyclable heterogeneous catalyst for oxidative esterification of aldehydes with alkylarenes or alcohols using TBHP as an oxidant}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {43}, year = {2015}, month = {SEP}, pages = {10631-10640}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Titanium superoxide efficiently catalysed the oxidative esterification of aldehydes with alkylarenes or alcohols, under truly heterogeneous conditions, to afford the corresponding benzyl and alkyl esters in excellent yields. Mechanistic studies have established that this {\textquoteleft}{\textquoteleft}one pot{\textquoteright}{\textquoteright} direct oxidative esterification process proceeds through a radical pathway, proven by a FTIR spectral study of a titanium superoxide-aldehyde complex as well as spin trapping experiments with TEMPO. The intramolecular version of this protocol has been successfully demonstrated in the concise synthesis of 3-butylphthalide, an anti-convulsant drug.
}, issn = {1477-0520}, doi = {10.1039/c5ob01586c}, author = {Dey, Soumen and Gadakh, Sunita K. and Sudalai, A.} } @article { ISI:000354211100055, title = {Tolbutamide induces conformational change and promotes albumin glycation}, journal = {RSC Advances}, volume = {5}, number = {50}, year = {2015}, month = {APR}, pages = {40070-40075}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Tolbutamide is a first generation sulfonylurea drug used for the treatment of type II diabetes. In the present study, the effect of tolbutamide on albumin conformation was investigated using BSA as a model protein. The binding of tolbutamide induced a conformational change in albumin, which was confirmed by thioflavin T assay, ANS assay, and CD spectroscopy. Computer simulations suggested that the binding of tolbutamide increases the solvent accessibility of lysine residues, the hotspots of glycation. Furthermore, the change in conformation of albumin facilitates increased glycation, which was observed by AGE specific fluorescence and the results were corroborated by mass spectrometric analysis. This study suggested that tolbutamide enhances albumin glycation by inducing conformational change in BSA and hence could be a potential risk factor if used for a prolonged period.
}, issn = {2046-2069}, doi = {10.1039/c5ra03839a}, author = {Bansode, Sneha B. and Batkulwar, Kedar B. and Warkad, Shrikant D. and Jana, Asis K. and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article { ISI:000350763600017, title = {Total and semi-syntheses of antimicrobial thuggacin derivatives}, journal = {Chemistry-A European Journal}, volume = {21}, number = {11}, year = {2015}, month = {MAR}, pages = {4272-4284}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {
The total and semi-synthesis of 13 new macrolactones derived from thuggacin, which is a secondary metabolite from the myxobacterium Sorangium cellulosum, are reported. The thuggacins have attracted much attention due to their strong antibacterial activity, particularly towards Mycobacterium tuberculosis. This study focuses on 1) thuggacin derivatives that cannot equilibrate by transacylation between the three natural thuggacins A-C, 2) the roles of the thiazole ring, and 3) the hexyl side chain at C2. Semi-synthetic O-methylation at C17 suppressed the transacylations without a substantial loss of antibacterial activity. Exchanging the C17-C25 side chain for simplified hydrophobic chains led to complete loss of antibacterial activity. Exchange of the thiazole by an oxazole ring or removal of the hexyl side chain at C2 had no substantial effect on the biological properties.
}, keywords = {antibiotics, lactones, Natural products, synthesis design, Total synthesis}, issn = {0947-6539}, doi = {10.1002/chem.201405874}, author = {Franke, Jana and Bock, Martin and Dehn, Richard and Fohrer, Joerg and Mhaske, Santosh B. and Migliorini, Antonella and Kanakis, Argyrios A. and Jansen, Rolf and Herrmann, Jennifer and Mueller, Rolf and Kirschning, Andreas} } @article { ISI:000364803200007, title = {Total syntheses and biological evaluation of (+/-)-botryosphaeridione, (+/-)-pleodendione, 4-epi-periconianone B, and analogues}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1117-1121}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The total syntheses of (+/-)-botryosphaeridione, (+/-)-pleodendione, (+/-)-hoaensieremodione, 4-epi-periconianone B, and their analogues have been accomplished for the first time. All the synthesized target compounds were screened in neural anti-inflammatory assays using LPS induced microglia cells (N9). Among them, compounds 1 and 21 were identified as potential lead compounds for further profiling.
}, keywords = {antineuroinflammatoty agents, bohyosphaeridione, Natural product, pleodendione, Total synthesis}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00241}, author = {Handore, Kishor L. and Jadhav, Prakash D. and Hazra, Bibhabasu and Basu, Anirban and Reddy, D. Srinivasa} } @article { ISI:000352463200009, title = {Total synthesis and structural revision of mycalol, an anticancer natural product from the marine source}, journal = {Organic Letters}, volume = {17}, number = {7}, year = {2015}, month = {APR}, pages = {1652-1655}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The total synthesis of an anticancer (anaplastic thyroid) natural lipid mycalol has been accomplished for the first time. Synthesis of originally proposed structure necessitated the revision of structure in which the position of acetate group moved from C20 to C19 and a change in stereochemistry of the glycerol unit.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00345}, author = {Seetharamsingh, B. and Rajamohanan, P. R. and Reddy, D. Srinivasa} } @article { ISI:000356549600021, title = {Total synthesis of (+)-petromyroxol}, journal = {Tetrahedron Letters}, volume = {56}, number = {25}, year = {2015}, month = {JUN}, pages = {3933-3935}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The total synthesis of (+)-petromyroxol establishing its absolute configuration has been accomplished. The strategy developed employs easily accessible carbohydrate building blocks and comprises flexible and scalable chemistry that allowed the synthesis of (+)-petromyroxol along with its three diastereomers varying the stereochemistry mainly at C5 and/or C6. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Glucose diacetonide, Petromyroxol, Pheromone, Sea Lamprey, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.04.129}, author = {Mullapudi, Venkanna Babu and Ramana, Chepuri V.} } @article { ISI:000358734800021, title = {Total synthesis of (+)-petromyroxol via tandem alpha-aminoxylation-allylation and asymmetric dihydroxylation-S(N)2 cyclization approach}, journal = {RSC Advances}, volume = {5}, number = {78}, year = {2015}, month = {JUL}, pages = {63311-63317}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The total synthesis of (+)-petromyroxol, a tetrahydrofuran (THF)-diol fatty acid, isolated from sea lamprey larvae (Petromyzon marinus) is reported. The present synthesis employs a tandem alpha-aminoxylationallylation, cross metathesis and tandem asymmetric dihydroxylation-S(N)2 cyclization as key steps.
}, issn = {2046-2069}, doi = {10.1039/c5ra10405j}, author = {Nookaraju, U. and Kumar, Pradeep} } @article { ISI:000352671600006, title = {Total synthesis of (R)-lipoic acid and (S)-lipoic acid via an Mn (III)-salen-catalyzed oxidative kinetic resolution}, journal = {Tetrahedron-Asymmetry}, volume = {26}, number = {5-6}, year = {2015}, month = {MAR}, pages = {281-287}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The asymmetric synthesis of both the antipodes of alpha-lipoic acid is described. The total synthesis of racemic and asymmetric lipoic acid is achieved from propane 1,3-diol. This work reports the use of Mn (III)-salen-catalyzed oxidative kinetic resolution as the key step to obtain enantiomerically pure (R)- and (S)-lipoic acid. The undesired product formed during the resolution can be recycled to achieve the desired isomer. (C) 2015 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2015.02.001}, author = {Purude, Abhijeet N. and Pawar, Kailash P. and Patil, Niteen B. and Kalkote, Uttam R. and Chavan, Subhash P.} } @article { ISI:000352463200027, title = {Total synthesis of sinenside A}, journal = {Organic Letters}, volume = {17}, number = {7}, year = {2015}, month = {APR}, pages = {1724-1727}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The first total synthesis of norlignan glucoside sinenside A has been accomplished. An intramolecular acetalization reaction has been employed as the key skeletal construct to forge the central cyclic disaccharide core. The trans-1,2-diol configuration present in the cyclic disaccharide of this natural product is unique and has been addressed by setting this configuration at the beginning. A 1,2-orthoester group has been selected as a handle for both sp glycosidation and for differentiation of the C2{\textquoteright}-OH (that participates in the key acetalization reaction) of the sugar unit.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00505}, author = {Vadhadiya, Paresh M. and Ramana, Chepuri V.} } @article { ISI:000360656100018, title = {Total synthesis of the natural product EBC-329}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {36}, year = {2015}, month = {JUL}, pages = {9485-9491}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The first total synthesis of an anti-leukemic diterpene natural product EBC-329 (1) has been accomplished starting from readily available 6,6-dimethyl-3-oxabicyclo[3.1.0] hexane-2,4-dione (7). An efficient and general approach has been reported for the synthesis of EBC-329 in 13 steps with an overall yield of 10\%.
}, issn = {1477-0520}, doi = {10.1039/c5ob01276g}, author = {Thombal, Raju S. and Jadhav, Vrushali H.} } @article {45946, title = {Towards comprehension of complex chemical evolution and diversification of terpene and phenylpropanoid pathways in Ocimum species}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {NOV}, pages = {106886-106904}, type = {Article}, abstract = {
Ocimum species present a wide array of diverse secondary metabolites possessing immense medicinal and economic value. The importance of this genus is undisputable and exemplified in the ancient science of Chinese and Indian (Ayurveda) traditional medicine. Unlike several other plant species of Artemisia, Salvia, Catharanthus, Taxus, Mentha, etc. that are largely exploited, detailed characterization and identification of important metabolites from Ocimum species remained unexplored. Till date, most of the analyzed Ocimum species are predominantly rich in either phenylpropanoids or terpenoids. Metabolite data suggests domination of a unique set of signature compounds in all species. However, molecular pathways leading to the production, accumulation and metabolism of these compounds are poorly understood. The past few years have witnessed an upsurge in our understanding of the complex and intricately woven secondary metabolic pathways. Such information is generated through systematic analysis and correlation of metabolite profiling with transcriptomics data sets from different Ocimum species. The present review is aimed at integrating our current knowledge to understand the active secondary metabolic pathways, the key players in flux regulation including external stimuli, differential gene expression, transcription factors, microRNAs, enzyme promiscuity, etc. Extensive analysis of available data identifies events that may have contributed to evolve Ocimum species rich with a specific set of metabolites, thus, shedding light on pathway diversification. We believe that a better understanding of the multi-level regulation of intermediates and metabolites will help us harness the inherent diversity of Ocimum species optimally.
}, issn = {2046-2069}, doi = {10.1039/c5ra16637c}, author = {Singh, Priyanka and Kalunke, Raviraj M. and Giri, Ashok P.} } @proceedings {42928, title = {Transition metal di-chalcogenides and their nanocomposite prospective field emitters}, year = {2015}, month = {JUL}, pages = {98-99}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {Guangzhou, Peoples R China}, abstract = {
Layered structured transition metal di-chalcogenides has attracted researchers as a substitute of graphene and its forms for various applications. In an attempt to explore field emission properties of these graphene analogues, synthesis and field emission behaviour of a few layered transition metal di-chalcogenides (TMDs) VS2, MoS2, MoO3 have been investigated at a base pressure of 1x 10(-8) mbar. Furthermore, to improve the field emission properties, composites with RGO and respective oxides were synthesized and compared with the pristine ones. The TMDs and their composites is synthesized employing hydrothermal synthesis route. The preliminary results show that these TMD{\textquoteright}s and their composites, when synthesized in a controlled manner, can serve as potential field emitters for future field emission based devices.
}, author = {Khare, Ruchita T. and More, Mahendra A. and Late, Dattatray J.} } @article { ISI:000363389400005, title = {Transition-metal-catalyzed hydrogen-transfer annulations: access to heterocyclic scaffolds}, journal = {Angewandte Chemie-International Edition}, volume = {54}, number = {38}, year = {2015}, month = {SEP}, pages = {11022-11034}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
The ability of hydrogen-transfer transition-metal catalysts, which enable increasingly rapid access to important structural scaffolds from simple starting materials, has led to a plethora of research efforts on the construction of heterocyclic scaffolds. Transition-metal-catalyzed hydrogen-transfer annulations are environmentally benign and highly atom-economical as they release of water and hydrogen as by-product and utilize renewable feedstock alcohols as starting materials. Recent advances in this field with respect to the annulations of alcohols with various nucleophilic partners, thus leading to the formation of heterocyclic scaffolds, are highlighted herein.
}, issn = {1433-7851}, doi = {10.1002/anie.201503247}, author = {Nandakumar, Avanashiappan and Midya, Siba Prasad and Landge, Vinod Gokulkrishna and Balaraman, Ekambaram} } @article { ISI:000354043200025, title = {Trifunctional mesoporous silica-based, highly active catalyst for one-pot, three-step cascade reactions}, journal = {Chemical Communications}, volume = {51}, number = {40}, year = {2015}, month = {APR}, pages = {8496-8499}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report the synthesis of a trifunctional catalyst containing amine, sulphonic acid and Pd nanoparticle catalytic groups anchored on the pore walls of SBA-15. The catalyst efficiently catalyzes one-pot three-step cascade reactions comprising deacetylation, Henry reaction and hydrogenation, giving up to similar to 100\% conversion and 92\% selectivity to the final product.
}, issn = {1359-7345}, doi = {10.1039/c5cc01694k}, author = {Biradar, Ankush V. and Patil, Vijayshinha S. and Chandra, Prakash and Doke, Dhananjay S. and Asefa, Tewodros} } @article { ISI:000355856200034, title = {Tris-hydroxymethylaminomethane (THAM): a novel organocatalyst for a environmentally benign synthesis of medicinally important tetrahydrobenzo[b]pyrans and pyran-annulated heterocycles}, journal = {New Journal of Chemistry}, volume = {39}, number = {6}, year = {2015}, month = {MAR}, pages = {4452-4463}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
simple, efficient and environmentally benign protocol has been developed for the one-pot, multicomponent synthesis of medicinally important tetrahydrobenzo[b]pyrans and pyran-annulated heterocycles using a commercially available, inexpensive, non-toxic, and biodegradable tris-hydroxymethylaminomethane (THAM) as a novel organocatalyst. Ambient reaction conditions, wide scope, avoidance of conventional isolation as well as purification techniques and the reusability of the catalyst for five consecutive runs have improved the practical utility of this multicomponent reaction protocol manifold.
}, issn = {1144-0546}, doi = {10.1039/c4nj02346c}, author = {Pandit, Kapil S. and Chavan, Pramod V. and Desai, Uday V. and Kulkarni, Makarand A. and Wadgaonkar, Prakash P.} } @article { ISI:000360677400002, title = {Triterpenoid profiling and functional characterization of the initial genes involved in isoprenoid biosynthesis in neem (Azadirachta indica)}, journal = {BMC Plant Biology}, volume = {15}, year = {2015}, month = {SEP}, pages = {Article Number: 214}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {
Background: Neem tree (Azadirachta indica) is one of the richest sources of skeletally diverse triterpenoids and they are well-known for their broad-spectrum pharmacological and insecticidal properties. However, the abundance of Neem triterpenoids varies among the tissues. Here, we delineate quantitative profiling of fifteen major triterpenoids across various tissues including developmental stages of kernel and pericarp, flower, leaf, stem and bark using UPLC-ESI (+)-HRMS based profiling. Transcriptome analysis was used to identify the initial genes involved in isoprenoid biosynthesis. Based on transcriptome analysis, two short-chain prenyltransferases and squalene synthase (AiSQS) were cloned and functionally characterized. Results: Quantitative profiling revealed differential abundance of both total and individual triterpenoid content across various tissues. RNA from tissues with high triterpenoid content (fruit, flower and leaf) were pooled to generate 79.08 million paired-end reads using Illumina GA.. platform. 41,140 transcripts were generated by d e novo assembly. Transcriptome annotation led to the identification of the putative genes involved in isoprenoid biosynthesis. Two short-chain prenyltransferases, geranyl diphosphate synthase (AiGDS) and farnesyl diphosphate synthase (AiFDS) and squalene synthase (AiSQS) were cloned and functionally characterized using transcriptome data. RT-PCR studies indicated five-fold and ten-fold higher relative expression level of AiSQS in fruits as compared to leaves and flowers, respectively. Conclusions: Triterpenoid profiling indicated that there is tissue specific variation in their abundance. The mature seed kernel and initial stages of pericarp were found to contain the highest amount of limonoids. Furthermore, a wide diversity of triterpenoids, especially C-seco triterpenoids were observed in kernel as compared to the other tissues. Pericarp, flower and leaf contained mainly ring-intact triterpenoids. The initial genes such as AiGDS, AiFDS and AiSQS involved in the isoprenoids biosynthesis have been functionally characterized. The expression levels of AiFDS and AiSQS were found to be in correlation with the total triterpenoid content in individual tissues.
}, keywords = {Azadirachta indica, Quantitative profiling, Transcriptome, Triterpenoids}, issn = {1471-2229}, doi = {10.1186/s12870-015-0593-3}, author = {Pandreka, Avinash and Dandekar, Devdutta S. and Haldar, Saikat and Uttara, Vairagkar and Vijayshree, Shinde G. and Mulani, Fayaj A. and Aarthy, Thiagarayaselvam and Thulasiram, Hirekodathakallu V.} } @article { ISI:000358237400019, title = {Tunable acid-base bifunctional catalytic activity of FeOOH in an orthogonal tandem reaction}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {8}, year = {2015}, month = {MAY}, pages = {4029-4038}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In this report, we have explored the acid-base bifunctional catalytic activity of iron oxohydroxides (FeOOH) by catalyzing deacetalization and Henry condensation reactions successively in a single pot. The crystalline polymorphs of FeOOH, namely goethite (alpha FeOOH), akaganeite (beta FeOOH), lepidocrocite (gamma FeOOH) and delta FeOOH, were chemically prepared and tested for the catalytic activity. All the polymorphs of FeOOH exhibited acid-base bifunctional catalytic activity. The relative selectivity for products varied with the polymorphs of FeOOH. Whereas alpha FeOOH produced benzaldehyde in high yield, the polymorphs beta FeOOH, gamma FeOOH and delta FeOOH showed high selectivity for trans-beta-nitrostyrene. In addition, beta FeOOH also exhibited a unique activity towards the formation of 1,3-dinitro-2-phenylpropane. The difference in the catalytic activity of FeOOH polymorphs was explained based on the strength and density of acidic and basic active sites on the surface. Selectivity for the products was tuned by changing the synthesis parameters of the catalysts and reaction conditions.
}, issn = {2044-4753}, doi = {10.1039/c5cy00361j}, author = {Vernekar, D. and Jagadeesan, Dinesh} } @article { ISI:000351235800053, title = {Tunable band gap and coercivity of bismuth ferrite-polyaniline core-shell nanoparticles: the role of shell thickness}, journal = {RSC Advances}, volume = {5}, number = {30}, year = {2015}, month = {MAR}, pages = {23563-23568}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report a tunable band gap of bismuth ferrite-polyaniline core-shell nanoparticles from 2.24 to 1.98 eV and the variation of coercivity from 118 to 100 Oe, by varying the thickness of the polyaniline shell. Bismuth ferrite nanoparticles were synthesized via a chemical route and coating of polyaniline was achieved by a double surfactant layer technique. Coating of polyaniline introduced oxygen vacancies, local distortions and microstrains in the bismuth ferrite lattice which resulted in a change in the Fe-O-Fe bond angle of the bismuth ferrite lattice. This is confirmed with structural analysis tools i.e. X-ray Diffraction, Fourier Transform Infrared Spectroscopy and Raman spectroscopy. Moreover, the absorption of light around 600 nm is increased and photoluminescence emission around 430 nm is decreased, as the thickness of shell is increased, which also indicates the changes in optical properties due to variation in shell thickness. Thus tunability of the band gap and coercivity is achieved as a function of shell thickness in bismuth ferrite-polyaniline core-shell nanoparticles.
}, issn = {2046-2069}, doi = {10.1039/c5ra00933b}, author = {Chaturvedi, Smita and Das, Raja and Poddar, Pankaj and Kulkarni, Sulabha} } @article { ISI:000355656000012, title = {Tuning magnetic behavior of nanoscale cobalt sulfide and its nanocomposite with an engineering thermoplastic}, journal = {Journal of Electronic Materials}, volume = {44}, number = {7}, year = {2015}, month = {JUL}, pages = {2308-2311}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Nanocomposites containing magnetic nanoparticles embedded in a polymer matrix with good thermal stability (up to 200A degrees C) are technologically important. We report an environmentally benign solid-solid approach for synthesis of cobalt sulfide and its nanocomposite using a thermally stable matrix of polyphenylene sulfide. Physicochemical characterizations reveal the formation of nanoclusters of the hexagonal phase CoS. Even though bulk CoS is nonmagnetic, magnetization studies exhibit anomalous magnetic behavior for phase-pure nanoscale CoS and its nanocomposites.
}, keywords = {Nanocomposite, polyphenylene sulfide, Solid-solid reaction, superparamagnetic}, issn = {0361-5235}, doi = {10.1007/s11664-015-3753-1}, author = {Rumale, Narendra and Arbuj, Sudhir S. and Umarji, Govind and Shinde, Manish and Mulik, Uttam P. and Joy, Pattayil Alias and Amalnerkar, Dinesh P.} } @article { ISI:000348366500030, title = {Tuning of multiple luminescence outputs and white-light emission from a single gelator molecule through an ESIPT coupled AIEE process}, journal = {Chemical Communications}, volume = {51}, number = {11}, year = {2015}, month = {DEC}, pages = {2130-2133}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A unique example of an ESIPT coupled AIEE process, associated with a single molecule (1), is utilized for generating multiple luminescent colors (blue-green-white-yellow). The J-aggregated state of 1 forms a luminescent gel in THF and this luminescent property is retained even in the solid state.
}, issn = {1359-7345}, doi = {10.1039/c4cc09211b}, author = {Maity, Arunava and Ali, Firoj and Agarwalla, Hridesh and Anothumakkool, Bihag and Das, Amitava} } @article { ISI:000365070700106, title = {Two new potential barcodes to discriminate dalbergia species}, journal = {Plos One}, volume = {10}, number = {11}, year = {2015}, month = {NOV}, pages = {Article Number: e0142965}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
DNA barcoding enables precise identification of species from analysis of unique DNA sequence of a target gene. The present study was undertaken to develop barcodes for different species of the genus Dalbergia, an economically important timber plant and is widely distributed in the tropics. Ten Dalbergia species selected from the Western Ghats of India were evaluated using three regions in the plastid genome (matK, rbcL, trnH-psbA), a nuclear transcribed spacer (nrITS) and their combinations, in order to discriminate them at species level. Five criteria: (i) inter and intraspecific distances, (ii) Neighbor Joining (NJ) trees, (iii) Best Match (BM) and Best Close Match (BCM), (iv) character based rank test and (v) Wilcoxon signed rank test were used for species discrimination. Among the evaluated loci, rbcL had the highest success rate for amplification and sequencing (97.6\%), followed by matK (97.0\%), trnH-psbA (94.7\%) and nrITS (80.5\%). The inter and intraspecific distances, along with Wilcoxon signed rank test, indicated a higher divergence for nrITS. The BM and BCM approaches revealed the highest rate of correct species identification (100\%) with matK, matK+rbcL and matK+trnH-psb loci. These three loci, along with nrITS, were further supported by character based identification method. Considering the overall performance of these loci and their ranking with different approaches, we suggest matK and matK+rbcL as the most suitable barcodes to unambiguously differentiate Dalbergia species. These findings will potentially be helpful in delineating the various species of Dalbergia genus, as well as other related genera.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0142965}, author = {Bhagwat, Rasika M. and Dholakia, Bhushan B. and Kadoo, Narendra Y. and Balasundaran, M. and Gupta, Vidya S.} } @conference {45944, title = {Two phase flow boiling pressure drop in small channels}, booktitle = {IUTAM Symposium on multiphase flows with phase change: challenges and opportunities}, year = {2015}, month = {DEC}, publisher = {IUTAM, Dept Sci Technol India; Ministry Earth Sciences; CSIR; Natl Sci Fdn, USA; Intel Ansys Fujitsu \& TSI India}, organization = {IUTAM, Dept Sci Technol India; Ministry Earth Sciences; CSIR; Natl Sci Fdn, USA; Intel Ansys Fujitsu \& TSI India}, address = {SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Two-phase pressure drop, flow instability and boiling regime identifications are an essential step in the design of a variety of plant in the power and process industries. Despite the wide spread applications, significant experimental data on flow boiling in small channel is not available. In the present work, experimental set-up was designed for studying boiling flows in 19 mm ID tube and identifies flow regimes at various mass and heat flux conditions by varying inlet fluid temperature. The steady-state pressure data was collected and flow regimes identified using pressure drop and pressure fluctuations inside the channel. (C) 2015 The Authors. Published by Elsevier B.V.
}, keywords = {flow boiling, flow instability, pressure drop, regime identification}, doi = {10.1016/j.piutam.2015.04.044}, author = {Sardeshpande, Madhavi V. and Shastri, Parikshit and Ranade, Vivek V.}, editor = {Sahu, KC} } @article { ISI:000349942400010, title = {Ultrafast electron injection, hole transfer, and charge recombination dynamics in cdse QD super-sensitized Re(I)-polypyridyl complexes with catechol and resorcinol moiety: effect of coupling}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {7}, year = {2015}, month = {FEB}, pages = {3522-3529}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Ultrafast charge-transfer dynamics have been demonstrated in CdSe quantum dots (QD) using two Re(I)-polypyridyl complexes having pendent catechol (Re1,2) and resorcinol (Re1,3) as the sensitizer molecules. The energy level diagram of CdSe QD and Re1,2 and Re1,3 sensitizer reveals that photoexcited hole of CdSe QD can be transferred to both Re1,2 and Re1,3 molecule, and photoexcited Re1,2 and Re1,3 can inject electron in the conduction band, which has been confirmed by steady-state and time-resolved photoluminescence studies with selective photoexcitation. Femtosecond transient absorption studies have been carried out to monitor charge-transfer dynamics in early time scale. Transient absorption spectra show formation of cation radicals for both Re1,2 and Re1,3 in the 550-650 nm region with a peak at 590 nm region and broad absorption in the 650-1000 nm region, which can be attributed to photoexcited electron in the conduction band of CdSe QD. Charge recombination was determined by monitoring the decay of cation radicals as well as decay of an electron and found to be slower in the Re1,3/CdSe system as compared to that of the Re1,2/CdSe system, which is due to weaker electronic coupling in the former system.
}, issn = {1932-7447}, doi = {10.1021/jp5122068}, author = {Debnath, Tushar and Maity, Partha and Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000363417900029, title = {Ultra-thin V2O5 nanosheet based humidity sensor, photodetector and its enhanced field emission properties}, journal = {RSC Advances}, volume = {5}, number = {108}, year = {2015}, month = {OCT}, pages = {88796-88804}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report the synthesis of V2O5 nanosheets by a simple hydrothermal method. The as synthesized V2O5 nanosheets were characterized by Raman spectroscopy, Field Emission Scanning Electron Microscopy (FESEM), Transmission Electron Microscopy (TEM) and UV-Vis spectroscopy. The humidity sensing behaviors were investigated in the range of 11-97\% relative humidity (RH) at room temperature. The maximum sensitivity of 45.3\%, response time of similar to 4 min and recovery time of similar to 5 min were observed for the V2O5 nanosheet based sensor. We also demonstrated the V2O5 nanosheets as an ultra-violet photodetector with a sensing response time of similar to 65 s and recovery time of similar to 75 s with a maximum photoresponsivity of similar to 6.2\%. Further, we have also carried out field emission (FE) investigations of V2O5 nanosheets under a planar {\textquoteleft}{\textquoteleft}Diode{\textquoteright}{\textquoteright} assembly in an ultrahigh vacuum (UHV) chamber at a base pressure of similar to 1 x 10(-8) mbar. The turn on fields required to draw field emission current densities of 1 mu A cm(-2) and 10 mu A cm(-2) are found to be 1.15 V mu m(-1) and 1.72 V mu m(-1), respectively. We achieved a maximum field emission current density of 1.532 mA cm(-2) at an applied electric field of 3.2 V mu m(-1). The field enhancement factors calculated from the slope of the Fowler-Nordheim (F-N) plot are found to be 8530 and 3530 at low field and high field regions, respectively. Our results open up several avenues towards the successful utilization of V2O5 nanosheets and other metal oxide nanosheets for various nanoelectronics device applications including sensors, photodetector and flat panel displays.
}, issn = {2046-2069}, doi = {10.1039/c5ra17253e}, author = {Pawar, Mahendra S. and Bankar, Prashant K. and More, Mahendra A. and Late, Dattatray J.} } @article {43042, title = {Understanding visceral leishmaniasis disease transmission and its control - a study based on mathematical modelling}, journal = {Mathematics}, volume = {3}, year = {2015}, month = {SEP}, pages = {913-344}, doi = {10.3390/math3030913}, author = {Subramanian, Abhishek and Singh, Vidhi and Sarkar, Ram Rup} } @article {42435, title = {Unimolecular antiparallel G-quadruplex folding topology of 2{\textquoteright}-5{\textquoteright}-isoTBA sequences remains unaltered by loop composition}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, year = {2015}, month = {OCT}, pages = {11696-11703}, type = {Journal Article}, abstract = {

A 2{\textquoteright}-5{\textquoteright}-linked isoTBA 15 mer sequence with (232) loop composition formed stable antiparallel quadruplex structures similar to the SELEX derived 15 mer TBA sequence with (232) loop composition. A parallel versus antiparallel topology of 3{\textquoteright}-5{\textquoteright}-G-quadruplexes is largely dictated by the loop length, and it is known that the truncated loops favour parallel quadruplexes. In contrast to TBA, systematic reduction of the loop length in isoTBA from (232) to (222), (131) or even (111) did not alter the antiparallel topology of the resulting 14 mer, 13 mer and 11 mer G-rich modified isoTBA-like sequences.

\
}, doi = {10.1039/c5ob01923k}, author = {Aher, Manisha N.}, editor = {Erande, Namrata D.} } @article { ISI:000349435000092, title = {Unprecedented ferrocene-quinoline conjugates: facile proton conduction via 1D helical water chains and a selective chemosensor for Zn(II) ions in water}, journal = {RSC Advances}, volume = {5}, number = {20}, year = {2015}, month = {JAN}, pages = {15690-15694}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Two novel ferrocene-quinoline derivatives 3 (C22H19O2N3Fe) and 4 (C34H28O4N6Fe) have been synthesized and structurally characterized. Compound 3 exhibits good proton conductivity through 1D helical water chains. In addition, both compounds 3 and 4 selectively detect Zn2+ ions in water with a detection limit of 2 ppb through multiple channels.
}, issn = {2046-2069}, doi = {10.1039/c4ra13877e}, author = {Ponniah, Joseph S. and Barik, Subrat Kumar and Borthakur, Rosmita and Thakur, Arunabha and Garai, Bikash and Janaa, Sourita and Ghosh, Sundargopal} } @article { ISI:000364585200026, title = {Unraveling the success and failure of mode coupling theory from consideration of entropy}, journal = {Journal of Chemical Physics}, volume = {143}, number = {17}, year = {2015}, month = {NOV}, pages = {174504}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
We analyze the dynamics of model supercooled liquids in a temperature regime where predictions of mode coupling theory (MCT) are known to be valid qualitatively. In this regime, the Adam-Gibbs (AG) relation, based on an activation picture of dynamics, also describes the dynamics satisfactorily, and we explore the mutual consistency and interrelation of these descriptions. Although entropy and dynamics are related via phenomenological theories, the connection between MCT and entropy has not been argued for. In this work, we explore this connection and provide a microscopic derivation of the phenomenological Rosenfeld theory. At low temperatures, the overlap between the MCT power law regime and AG relation implies that the AG relation predicts an avoided divergence at T-c, the origin of which can be related to the vanishing of pair configurational entropy, which we find occurring at the same temperature. We also show that the residual multiparticle entropy plays an important role in describing the relaxation time. (C) 2015 AIP Publishing LLC.
}, issn = {0021-9606}, doi = {10.1063/1.4934986}, author = {Nandi, Manoj Kumar and Banerjee, Atreyee and Sengupta, Shiladitya and Sastry, Srikanth and Bhattacharyya, Sarika Maitra} } @article { ISI:000348144100002, title = {Using Raman and dielectric spectroscopy to elucidate the spin phonon and magnetoelectric coupling in DyCrO3 nanoplatelets}, journal = {RSC Advances}, volume = {5}, number = {14}, year = {2015}, month = {JAN}, pages = {10094-10101}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In this study, we report the phonon-mode assignment of DyCrO3 nanoplatelets by Raman spectroscopy. The temperature dependent Raman studies indicate the shift in the phonon frequency of most intense modes of DyCrO3 and the observed change in Raman line-width is correlated with the spin-phonon coupling. The impedance spectroscopy reveals anomalies in the dielectric constant vs. temperature curve in the proximity of the magnetic transitions, thereby hinting towards possible weak magnetoelectric coupling in DyCrO3 nanoplatelets. For the first time, UV-vis absorption spectroscopy and photocatalytic activity of DyCrO3 nanoplatelets have been reported. The optical absorption spectrum gives the band gap similar to 2.8 eV for DyCrO3 nanoplatelets suggesting them as a good candidate for studying photocatalytic activity. The DyCrO3 nanoplatelets showed an efficient photocatalytic activity by degrading 65\% methyl orange after 8 h irradiation.
}, issn = {2046-2069}, doi = {10.1039/c4ra11022f}, author = {Gupta, Preeti and Poddar, Pankaj} } @article { ISI:000351236300059, title = {UV-assisted size sampling and antibacterial screening of lantana camara leaf extract synthesized silver nanoparticles}, journal = {RSC Advances}, volume = {5}, number = {31}, year = {2015}, month = {FEB}, pages = {24513-24520}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Green route synthesized silver nanoparticles are extremely toxic to multidrug resistant bacteria and have widespread applications in biomedical science. If the silver reducing weed extract possesses antimicrobial properties then it can additionally contribute to the medicinal activity. Herein, we present a synthesis of silver nanoparticles by using the weed plant Lantana camara{\textquoteright}s leaf extract. This study shows an easy, quick and cost-effective route to silver nanoparticle synthesis. Size controlled synthesis of Ag-0 nanoparticles is studied and discussed based on optical absorption, photoluminescence, dynamic light scattering (DLS), zeta potential, infrared spectroscopy, X-ray diffraction measurements, FE-SEM and TEM analysis. The synthesis of silver nanoparticles via this green approach shows very high antibacterial activity against E coli (Gram -ve) and S. aureus (Gram +ve) bacteria at a very low concentration (50 ppm Ag nanoparticles). Use of such eco-friendly nanoparticles may open a door for a new range of bactericidal agents.
}, issn = {2046-2069}, doi = {10.1039/c4ra17233g}, author = {Singh, Pradeep Kumar and Bhardwaj, Kirti and Dubey, Parul and Prabhune, Asmita} } @article { ISI:000347302000013, title = {Vanadium in borosilicate glass}, journal = {Journal of the American Ceramic Society}, volume = {98}, number = {1}, year = {2015}, month = {JAN}, pages = {88-96}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Understanding the role of V2O5 within borosilicate glass matrices is important for the development of novel matrices toward immobilization of sulfate containing high-level nuclear wastes. Present investigation shows, within sodium barium borosilicate glass matrix V2O5 can be homogeneously added up to 5mol\% and beyond which it separates out into three phases, for example, (i) silica (ii) Barium (Ba) - Vanadium (V) oxide, and (iii) glass matrix. Si-29 MAS NMR (Nuclear Magnetic Resonance) studies of the samples show that below 5mol\% V2O5 addition, silicate network is dominantly constituted of Q(2) and Q(3) structural units, whereas above this, the network gets more polymerized through formation of Q(3) and Q(4) units. In case of borate network, B-11 MAS NMR investigations revealed that the concentration of BO4 [(0B, 4Si)] unit increases gradually up to 5mol\% and then it decreases at the cost of BO4 [(1B, 3Si)], BO3 (symmetric) and BO3 (asymmetric) units. Micro-Raman analyses of the samples showed that with additions of V2O5 in diluted concentrations, amorphous silicate network remained unaltered, whereas some amplification in signals corresponding to ring-type metaborate and VO5 units exists. It is therefore apparent from both MAS-NMR and micro-Raman studies that with V2O5 additions within the solubility limit (5mol\%), borate network gets depolymerized leading to decrease in hardness from an average value of 5.0-4.2GPa.
}, issn = {0002-7820}, doi = {10.1111/jace.13303}, author = {Sengupta, Pranesh and Dey, Krishna K. and Halder, Rumu and Ajithkumar, Thalasseril G. and Abraham, Geogy and Mishra, Raman K. and Kaushik, Chetan P. and Dey, Goutam K.} } @article { ISI:000359136500056, title = {Vapour-liquid-solid growth of one-dimensional In2Se3 nanostructures and their promising field emission behaviour}, journal = {RSC Advances}, volume = {5}, number = {80}, year = {2015}, month = {JUL}, pages = {65274-65282}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Single crystalline ultra long In2Se3 nanowires have been grown by employing a single step facile thermal evaporation route under optimized conditions on Au/Si wafers, and morphology dependent field emission investigations on the In2Se3 nanostructure at the base pressure -1 x 10(-8) mbar are explored. In addition, structural and morphological analysis of as-synthesized In2Se3 nanostructures has been carried out using XRD, SEM and TEM. A plausible explanation of the vapor-solid-liquid (VLS) growth mechanism based on the experimental results and reported literature has been presented. Furthermore, field emission measurements demonstrate remarkably enhanced emission behaviour, which is explained on the basis of the field enhancement factor and aspect ratio of the nanostructures. The synthesized In25e3 nanowire emitter delivers a very high current density of -1.2 mA cm(-2) at an applied electric field of -6.33 cm(-1). The present results demonstrate In2Se3 as an important candidate for potential applications in nano/micro-electronic devices.
}, issn = {2046-2069}, doi = {10.1039/c5ra10160c}, author = {Suryawanshi, Sachin R. and Bankar, Prashant K. and More, Mahendra A. and Late, Dattatray J.} } @article {43033, title = {Viridians group streptococci in patients undergoing tooth extraction}, journal = {European Journal of General Medicine}, volume = {12}, year = {2015}, month = {SEP}, pages = {227-233}, abstract = {
The aerobic microflora of the oral cavity consists of viridians group of streptococci (VGS). The present study was carried out with an objective to evaluate the prevalence of VGS in patients undergoing tooth extraction and to study their antibiotic susceptibility pattern. Samples of subgingival dental plaques for microbiological studies were collected from 80 patients undergoing tooth extraction. The isolated streptococci were identified along with their antibacterial susceptibilities by automated Vitek 2 (bioM{\'e}rieux) system in accordance with CLSI standards. A total of 260 VGS strains belonging to 05 phenotypic groups, namely mutans, salivarius, anginosus, sanguinus and mitis groups; along with few strains of Granulicatella like G. adiacens and G. elegans. Altogether a total of 15 species were isolated from the subgingival plaque of 80 patients undergoing tooth extraction. Among the 15 antibiotics tested, highest resistance was observed to lincosamides (36.2\%) followed by macrolides (29.7\%), tetracyclines (17.7\%), cephems (15.1\%), fluoroquinolones (14.4\%), oxazolidinones (13.5\%), streptogramins (12.7 \%) and penicillins (7.9\%). However, all the 260 VGS strains were found susceptible to vancomycin and linezolid. In the subgingival plaque of patients undergoing tooth extraction, approximately 70\% of streptococci belonged to three VGS groups, i.e. mitis, sanguinis and mutans groups. Streptococci of salivarus and anginosus groups were isolated sporadically (5\%). Highest resistance was observed to lincosamides and macrolides (29.7\%). Multiple antibiotic resistance was observed in mitis and salivarius group.
}, doi = {10.15197/sabad.1.12.48}, author = {Dhotre, Shree V. and Dharne, Mahesh S. and Potdar, S. and Suklikar, J. and Suryawanshi, Namdev and Nagoba, Basavraj} } @article {42477, title = {Visible light-triggered disruption of micelles of an amphiphilic block copolymer with BODIPY at the junction}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {OCT}, pages = {17708-17711}, abstract = {
A visible light-cleavable polymer is synthesised to overcome the limitations of UV-sensitive polymers. Photocleavable BODIPY functionalized with an ATRP initiator and alkyne was used to obtain an amphiphilic block copolymer by conducting the click reaction and polymerization simultaneously. Micellar assembly of the polymer was disintegrated under visible light irradiation with controlled release of cargo.
}, doi = {10.1039/C5CC06820G}, author = {Patil, Naganath G. and Basutkar, Nitin B. and Ambade, Ashootosh V.} } @article { ISI:000355360200058, title = {Vitellibacter nionensis sp nov., isolated from a shallow water hydrothermal vent}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {2}, year = {2015}, month = {FEB}, pages = {692-697}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {
A novel, Gram-stain-negative, non-motile, rod-shaped yellow bacterium, designated VBW088(T) was isolated from a shallow water hydrothermal vent in Espalamaca in the Azores. Phylogenetic analysis based on 16S rRNA gene sequences showed that strain VBW088(T) clustered with three type strains of species of the genus Vitellibacter and exhibited a sequence similarity of 97.3\% with Vitellibacter soesokkakensis RSSK-12(T). However, strain VBW088(T) and V. soesokkakensis RSSK-12(T) exhibited low DNA-DNA relatedness (12.7 +/- 3.5 \%). Strain VBW088(T) was positive for catalase and oxidase. Growth occurred at 10-37 degrees C, with the optimum at 80 degrees C, and at pH 6.0-8.0 (optimum pH 6.0) and in up to 5\% (w/v) NaCl with optimum growth at 1-2\% (w/v) NaCl. The major fatty acids (\>10\%) were iso-C-15:0 (33.5\%) and iso-C-17:0 3-OH (32.0\%). The polar lipids detected in strain VBW088(T) consisted of phosphatidylethanolamine, one unidentified aminolipid and three unidentified phospholipids. The DNA G+C content of strain VBW088(T) was 36.7 mol\%. On the basis of phylogenetic inference, DNA-DNA relatedness, chemotaxonomic analysis and physiological data, the isolate represents a novel species of the genus Vitellibacter, for which the name Vitellibacter nionensis sp. nov. is proposed, with the type strain as VBW088(T). (=KCTC 32420(T)=MCC 2354(T)).
}, issn = {1466-5026}, doi = {10.1099/ijs.0.070805-0}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Yoon, Jung-Hoon and Dastager, Syed Gulam and Liu, Qing and Thi-Nhan Khieu and Chu Ky Son and Li, Wen-Jun and Colaco, Ana} } @article { ISI:000350194500001, title = {Void fraction measurement using electrical capacitance tomography and high speed photography}, journal = {Chemical Engineering Research \& Design}, volume = {94}, year = {2015}, month = {FEB}, pages = {1-11}, publisher = {INST CHEMICAL ENGINEERS}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {
Gas-liquid flows are encountered in variety of industrial applications including boilers, distillation towers, chemical reactors, oil pipelines, nuclear reactors etc. The measurement of two-phase flow parameters such as flow regime and void fraction is considerably important and play an important role in characterization of the hydrodynamic behavior of such gas-liquid two phase systems. The void fraction is a dimensionless quantity and is often termed as {\textquoteleft}{\textquoteleft}holdup or fraction{\textquoteright}{\textquoteright} in two-phase flows. According to industrial applications; it is essential to develop measurement technique for void fraction measurement which can work in hot and opaque systems. Therefore, an attempt was made here to establish electrical capacitance tomography (ECT) facility for measuring void fraction and flow regimes as well as develop suitable data processing methodologies. In the present work, focus was to measure void fraction using ECT technique and compares it with conventional and high speed photography technique. Therefore, that will give guidelines of using ECT technique for hot and opaque systems like boiling flows. (C) 2014 The Institution of Chemical Engineers. Published by Elsevier BM. All rights reserved.
}, keywords = {ECT, Flow regimes, Two phase flow, Void fraction}, issn = {0263-8762}, doi = {10.1016/j.cherd.2014.11.013}, author = {Sardeshpande, Madhavi V. and Harinarayan, Sagar and Ranade, Vivek V.} } @article {42917, title = {Water-dispersible ascorbic-acid-coated magnetite nanoparticles for contrast enhancement in MRI}, journal = {Applied Nanoscience}, volume = {5}, year = {2015}, month = {JAN}, pages = {435-441}, doi = {10.1007/s13204-014-0335-0}, author = {Sreeja, V. and Jayaprabha, Kunnoth N. and Joy, Pattayil Alias} } @article { ISI:000365445500001, title = {Water-promoted diels-alder reaction in quaternary ammonium salts}, journal = {Journal of Physical Organic Chemistry}, volume = {28}, number = {11}, year = {2015}, month = {NOV}, pages = {665-673}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
{Prevailing classification of salts based on their effect in solubility and stability of proteins in aqueous solution predicts that tetraalkylammonium salts, guanidinium chloride (GnCl), LiClO4 act as salting-in (S/I) and LiCl, NaCl act as salting-out (S/O) in aqueous conditions. In the same context the behaviour of GnCl, LiClO4 and LiCl are contradictory in polar solvents like ethylene glycol and formamide. In these solvents, expected salt effect shows just opposite nature from their usual expectation. However, in the aqueous solution salts like tetraalkylammonium halide (R4NX
}, keywords = {Delta G(solvation), Diels-Alder reaction, k(s), kinetic study, solubility, tetraalkylammonium salts, viscosity}, issn = {0894-3230}, doi = {10.1002/poc.3469}, author = {Nagare, Amit S. and Manna, Arpan and Sonawane, Pramod D. and Kumar, Anil} } @article {42699, title = {Well-defined palladium(II) complexes for ligand enabled C(sp3)-alkynylation}, journal = {Dalton Transactions}, volume = {44}, year = {2015}, month = {JUL}, pages = {15382-15386}, abstract = {
The first example of ligand-enabled C(sp3)-alkynylation of 8-methylquinoline is reported. The reaction is catalysed by well-defined Pd(II) complexes. The present C(sp3)-alkynylation has a broad substrate scope as well as functional group tolerance and proceeds efficiently under mild conditions.
}, doi = {10.1039/C5DT02772A}, author = {Landge, Vinod Gokulkrishna and Sahoo, Manoj Kumar and Midya, Siba Prasad and Jaiswal, Garima and Balaraman, Ekambaram} } @article { ISI:000362106000010, title = {What will it take for Indian science, technology and innovation to make global impact?}, journal = {Current Science}, volume = {109}, number = {6}, year = {2015}, month = {SEP}, pages = {1021-1024}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Mashelkar, Raghunath Anant} } @article { ISI:000356845800051, title = {Whole-cell mediated 11 beta-hydroxylation on the basic limonoid skeleton by cunninghamella echinulata}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {12}, year = {2015}, month = {JUN}, pages = {6490-6495}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Regio- and stereoselective 11 beta-hydroxylation was achieved on the basic limonoid skeleton through microbial transformation. Whole cells of Cunninghamella echinulata efficiently converted basic limonoids such as epoxyazadiradione, azadiradione, and gedunin to their 11 beta-hydroxy analogues as the sole metabolite. Fermentation conditions affecting the efficiency (96\%) of biotransformation including substrate concentration, incubation period, pH, and temperature were optimized. The position and stereochemistry of hydroxyl functionality on the isolated metabolites were established through extensive spectroscopic and spectrometric studies (1D, 2D NMR, ESI-MS, and MS/MS).
}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b00417}, author = {Haldar, Saikat and Mulani, Fayaj A. and Aarthy, Thiagarayaselvam and Thulasiram, Hirekodathakallu V.} } @article { ISI:000359166300077, title = {Zinc inhibits glycation induced structural, functional modifications in albumin and protects erythrocytes from glycated albumin toxicity}, journal = {International Journal of Biological Macromolecules}, volume = {79}, year = {2015}, month = {AUG}, pages = {601-610}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The present work aims to investigate the concentration and time dependant effect of zinc on the in vitro non enzymatic modifications of albumin by diabetic levels of glucose. Further, preventive and curative effect of zinc was studied by adding zinc before and after initiation of glycation respectively. Glycation of albumin was done at different concentrations of zinc (125, 250 and 500 mu M) at different time intervals (21,28 and 35 days) with appropriate controls. The antiglycation potential of zinc was assessed by estimating different markers of albumin glycation (fructosamines, carbonyls, bound sugar, AGEs), structural modifications (free amino, thiol group, beta amyloid, native PAGE, ANS binding, fluorescence lifetime decay and CD analysis) and functional properties (antioxidant activity, hemolysis). Zinc at highest concentration (500 mu M) significantly reduced modifications of albumin which was comparable to aminoguanidine and also protected secondary and tertiary structure of albumin after 28 days of incubation. Zinc exhibited significant protective effect on erythrocytes by inhibiting hemolysis. Thus the present study indicate preventive mode of albumin glycation inhibition by zinc. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Albumin, Erythrocytes, Glycation}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2015.05.028}, author = {Tupe, Rashmi and Kulkarni, Amruta and Adeshara, Krishna and Sankhe, Neena and Shaikh, Shamim and Dalai, Sayli and Bhosale, Siddharth H. and Gaikwad, Sushama M.} } @article {43598, title = {10000-Fold enhancement in proton conduction by doping of cesium ions in a proton-conducting zwitterionic metal-organic framework}, journal = {European Journal of Inorganic Chemistry}, year = {2016}, month = {SEP}, pages = {4382-4386}, abstract = {Developing metal-organic framework (MOF)-based proton-conducting electrolytes for fuel-cell applications is an important target that has drawn a lot of attention. A key approach involves the selective replacement of the guest species within the pores to enhance performance. The modular and crystalline nature of the MOF permits controlled introduction of such species and characterization of their compositions with high precision, a task which is very difficult to achieve in amorphous polymers. Herein, we partially replaced the protons of a zwitterionic pyridinol in Mg(terephthalate)(pyridinol) MOF 1 with Cs+ ions, which brought about a 10000-fold increase in the proton conductivity (10(-6) to 10(-2) S cm(-1)). Interestingly, Li+ ions could not be loaded, whereas Cs+ ions with smaller hydrated ionic radii could be loaded, and the loading was controlled as a function of time. The Cs+ loading nearly halved the activation energy (from 0.35 for 1 to 0.19 eV for _Cs). The highest conductivities were realized for an optimal loading of Cs+ ions, which was found to be about 10 \% in this case.}, doi = {10.1002/ejic.201600364}, author = {Shalini, Sorout and Aggarwal, Shubhangi and Singh, Santosh K. and Dutt, Malvika and Ajithkumar, Thallaseril G. and Vaidhyanathan, Ramanathan} } @article { ISI:000382246400001, title = {1000-fold enhancement in proton conductivity of a MOF using post-synthetically anchored proton transporters}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {AUG}, pages = {32489}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
Pyridinol, a coordinating zwitter-ionic species serves as stoichiometrically loadable and non-leachable proton carrier. The partial replacement of the pyridinol by stronger hydrogen bonding, coordinating guest, ethylene glycol (EG), offers 1000-fold enhancement in conductivity (10(-6) to 10(-3) Scm(-1)) with record low activation energy (0.11 eV). Atomic modeling coupled with C-13-SSNMR provides insights into the potential proton conduction pathway functionalized with post-synthetically anchored dynamic proton transporting EG moieties.
}, issn = {2045-2322}, doi = {10.1038/srep32489}, author = {Shalini, Sorout and Dhavale, Vishal M. and Eldho, Kavalakal Mathai and Kurungot, Sreekumar and Ajithkumar, Thalasseril G. and Vaidhyanathan, Ramanathan} } @article {45650, title = {1D alignment of PEDOT in a buckypaper for high-performance solid supercapacitors}, journal = {Chemelectrochem}, volume = {3}, year = {2016}, month = {SEP}, pages = {1329-1336}, type = {Article}, abstract = {
A flexible solid-state supercapacitor is prepared from carbon nanotube (CNT)-based buckypaper after forming a thin layer of polyethylenedioxythiophene (PEDOT) on the surface of the CNTs in the paper. A highly conducting PEDOT phase is obtained by interfacial polymerization, in which polymerization is confined at the interface of two immiscible liquids. The hydrophilic interaction between the functionalized CNTs and the oxidizing agent (iron perchlorate, Fe(ClO4)(3)), which is located in the aqueous phase, and the restricted interaction of the oxidizing agent with the EDOT monomer in the organic layer at the immiscible interface play a vital role in establishing a uniform and aggregate-free growth pattern of PEDOT on CNT. By carefully optimizing the amount of polymer in the paper, an electrode with a sheet resistance of 3.4(-1) and equivalent series resistance of 0.95 can be prepared. A thin and flexible solid-state supercapacitor device with an overall thickness of 210m is made by using this paper as the electrodes and poly(vinyl alcohol)/lithium chloride as the gel electrolyte. The power density and energy density of the electrode are 9.94Wcm(-3) and 8.85mWhcm(-3), respectively. The device also delivers a high volumetric capacitance of 18Fcm(-3) and areal capacitance of 354mFcm(-2). The demonstrated strategy is scalable and hence the process can be conveniently applied to prepare large-area PEDOT-modified buckypapers in a short time.
}, keywords = {Carbon, Energy storage, nanotubes, polymerization, Supercapacitors}, issn = {2196-0216}, doi = {10.1002/celc.201600229}, author = {Soni, Roby and Anothumakkool, Bihag and Kurungot, Sreekumar} } @article { ISI:000378005600001, title = {2016 New talent: crystal engineering at its biggest and strongest}, journal = {Crystengcomm}, volume = {18}, number = {22}, year = {2016}, month = {MAY}, pages = {3963-3967}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {1466-8033}, doi = {10.1039/c6ce90060g}, author = {Banerjee, Rahul and Day, Graeme M. and Friscic, Tomislav and Zhang, Hongjie} } @article {43576, title = {[2]Pseudorotaxane formation with fret based luminescence response: demonstration ofboolean operations through self sorting on solid surface}, journal = {Journal of Organic Chemistry}, volume = {81}, year = {2016}, month = {OCT}, pages = {8977-8987}, abstract = {Binary pseudorotaxane formation between an aza crown derivative as host (H) and two different imidazolium derivatives as guests (G(1) and G(2)) have been studied in detail by NMR (H-1 NMR, 2D NOESY), optical (steady state electronic and emission spectroscopy), and mass spectroscopy. Binding stoichiometry (1:1), association constant for the respective [2]pseudorotaxane formation (K-a(H center dot G1) = (2.61 +/- 0.015) X 10(3) M-1 and K-a(H center dot G2) = (1.27 +/- 0.16) X 10(3) M-1), and associated thermodynamic parameters are also evaluated based on isothermal titration calorimetric (ITC) studies. FRET based luminescence ON responses are observed on formation of the binary pseudorotaxane (H center dot G(1) and H center dot G(2)) in a nonpolar medium like dichlororriethane. The thermodynamic feasibility of such an energy transfer process is also examined. The higher affinity of H and 18-crown-6 toward K+, as compared to those toward G(1) or G(2), and the reversibility in the host- guest binding process are utilized in demonstrating the self-sorting phenomena with associated changes in luminescence responses that could be correlated for Boolean operators like YES, INHIBIT, OR, and AND gates.}, doi = {10.1021/acs.joc.6b01631}, author = {Gangopadhyay, Monalisa and Maity, Arunava and Dey, Ananta and Das, Amitava} } @article {43630, title = {3-Aminothiophenecarboxylic acid (3-Atc)-induced folding in peptides}, journal = {New Journal of Chemistry}, volume = {40}, year = {2016}, month = {SEP}, pages = {9205-9210}, abstract = {This paper describes the consequences of incorporating a constrained heterocyclic aromatic b-amino acid 3-aminothiophenecarboxylic acid (3-Atc) into peptides containing beta-turn forming elements such as Pro-Gly motif and the effect on the secondary structural architecture of the entire peptide backbone. Conformational investigations of oligomers comprising an alpha,beta,alpha peptide sequence were carried out by single-crystal X-ray diffraction, solution-state NMR, nOe-restrained MD simulation and circular dichroism studies. The results suggested that these peptide sequences assume helical architecture. The helical folding in the oligomers was found to be devoid of inter-residual H-bonding, instead found to be stabilized by a co-operative effect of 6-membered H-bonding within the 3-Atc unit and conformational restrictions of individual amino acids in the peptide backbone.}, doi = {10.1039/c6nj01667g}, author = {Ingole, Tukaram S. and Kotmale, Amol S. and Gawade, Rupesh L. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000379967000006, title = {3D interconnected porous graphene sheets loaded with cobalt oxide nanoparticles for lithium-ion battery anodes}, journal = {Energy Technology}, volume = {4}, number = {7}, year = {2016}, month = {JUL}, pages = {816-822}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Nanomaterials with high surface-to-volume ratio and tunable electronic and optical properties have expanded their use in variety of applications, especially energy conversion and storage. Here we report on the synthesis of a cobalt oxide (Co3O4)/3D-interconnected porous graphene (PG) nanocomposite by using a simple solvothermal route and its application as a Li-ion battery anode. Among the different compositions investigated, the composite PG-600 (with 50\% PG) showed a discharge capacity of 700mAhg(-1) at a current density of 500mAg(-1) and maintained 90\% retention after 80cycles. The high surface area of the 3DPG sheets helps the Co3O4 nanoparticles to form a uniform dispersion on the surfaces. The increased surface area (accessibility) and electrical conductivity of the composite result in significant enhancement in the capacity, cycling stability, and rate capability than the native Co3O4 phase.
}, keywords = {Cobalt oxide, Energy storage, graphene, lithium-ion batteries, Nanocomposites}, issn = {2194-4288}, doi = {10.1002/ente.201500497}, author = {Puthusseri, Dhanya and Aravindan, Vanchiappan and Madhavi, Srinivasan and Ogale, Satishchandra} } @article {42976, title = {3D Polyaniline architecture by concurrent inorganic and organic acid doping for superior and robust high rate supercapacitor performance}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {FEB}, pages = {Article No. 21002}, doi = {10.1038/srep21002}, author = {Gawli, Yogesh and Banerjee, Abhik and Dhakras, Dipti and Deo, Meenal S. and Bulani, Dinesh and Wadgaonkar, Prakash P. and Shelke, Manjusha and Ogale, Satishchandra} } @article {45819, title = {4 {\textquoteleft}-Epi-DNA: A DNA Mimic Containing 4 {\textquoteleft}-hydroxymethyl-alpha-l-Xylo-thymidine with compact backbone like RNA}, journal = {Nucleosides Nucleotides \& Nucleic Acids}, volume = {35}, year = {2016}, month = {APR}, pages = {445-458}, type = {Article}, abstract = {
Synthesis of C4-epi-DNA containing 3 5 linkages is reported for the first time. Crystal structure study of the monomer indicated that though the dihedral angle O3-C3-C4-C5 in this case would be like in RNA, the sugar conformation would remain like that in DNA. The study of the effect of this backbone configuration in DNA with respect to its binding to cDNA and RNA is reported in this note.
}, keywords = {4 {\textquoteleft}-hydroxymethyl nucleosides C4 {\textquoteleft}-epi-DNA, Antisense Oligonucleotide}, issn = {1525-7770}, doi = {10.1080/15257770.2016.1202963}, author = {Bagmare, Seema and Puranik, Vedavati G. and Fernandes, Moneesha and Kumar, Vaijayanti A.} } @article { ISI:000372335600061, title = {Actinorectispora indica gen. nov., sp nov isolated from soil, a member of the family pseudonocardiaceae}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {66}, number = {2}, year = {2016}, month = {FEB}, pages = {939-945}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {
The taxonomic positions of three Gram-stain-positive, aerobic strains, designated YIM 75722, 75726 and 75728(T), and isolated from a soil sample collected from Kurnool of Andhra Pradesh province, India, were assessed using a polyphasic approach. Growth was observed at pH 7.0-10.0 (optimum pH 7.0), 15-28 degrees C (optimum 28 degrees C) and 0-8\% (w/v) NaCl (grew without NaCl). Strains showed cylindrical spores with straight-chain morphology on aerial mycelium, but did not reveal sporangium-like structures or fragmentation of the substrate mycelium. Whole-cell hydrolysates of all strains contained galactose and ribose as the diagnostic sugars and meso-diaminopimelic acid as the diamino acid. The predominant menaquinone was MK-9(H-4); MK-9 (H-6) and MK-10 (H-4) were present in smaller amounts. The phospholipid pattern consisted mainly of diphosphatidylglycerol, phosphatidylglycerol and phosphatidylcholine. The major fatty acids were i-C-15: 0, ai-C-15: 0, i-C-17 : 0 and ai-C-17 : 0. The genomic DNA G+C content was 68.0 mol\%. Phylogenetic analysis, based on 16S rRNA gene sequences, revealed that strain YIM 75728(T) should be placed within the family Pseudonocardiaceae, in which the strain formed a distinct lineage. The combination of phylogenetic analysis, phenotypic characteristics and chemotaxonomic data support the conclusion that strain YIM 75728(T) represents a novel species of a novel genus of the family Pseudonocardiaceae for which the name Actinorectispora indica gen. nov., sp. nov., is proposed. Strain YIM 75728(T) (=DSM 45410(T)=CCTCC AA 209065(T)) is the type strain of Actinorectispora indica. Strain YIM 75728(T) was considered as the type strain over the other two strains based on the highest sequence read length of the strain.
}, issn = {1466-5026}, doi = {10.1099/ijsem.0.000814}, author = {Quadri, Syed Raziuddin and Tian, Xin-Peng and Zhang, Jing and Al Ruwaili, Jamal and Hozzein, Wael N. and Agsar, Dayanand and Li, Wen-Jun and Dastager, Syed Gulam} } @article { ISI:000373747700077, title = {Additive mediated syn-anti conformational tuning at nucleation to capture elusive polymorphs: remarkable role of extended pi-stacking interactions in driving the self-assembly}, journal = {Crystal Growth \& Design}, volume = {16}, number = {4}, year = {2016}, month = {APR}, pages = {2416-2428}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Understanding the process of prenucleation clustering at supersaturating stage is of significant importance to envisage the polymorphism in crystalline materials. Preferential formation of a thermodynamically stable crystal form suggests energetically favored patterns of interactions which control molecular aggregation during nucleation. Introduction of additives during crystallization is sometimes used as a suitable strategy to obtain metastable polymorphs in cases where it is not easy to capture the same by conventional crystallization methods. Comparative analysis of energy relationships and intermolecular interactions between thermodynamically stable and metastable crystal forms provides valuable clues about the nature of growth synthons at prenucleation clustering and preferential crystallization of the thermodynamic form. Conformationally flexible sulfonamide/sulfoester derivatives constituting electron rich and electron deficient aromatic rings were synthesized to study the interplay between pi-stacking and hydrogen bonding synthons. We have identified and characterized the thermodynamically stable and metastable elusive polymorphs of aromatic sulfonamides 1 and 2 and sulfoesters 3 and 4. However, these compounds eluded polymorphism during crystallisation from various common solvents/conditions and only produced thermodynamically stable crystals forms (form I crystals). Surprisingly, exploitation of pyrazinamide as an additive in different stoichiometric ratios during crystallization gave elusive polymorphs [three for 1 (form 1II, form 1III, and form 1IV) and one each for 2 (form 2II), 3 (form 3II), and 4 (form 4II)]. Molecules in stable crystal forms of these compounds are linked via extended chains of parallel displaced pi...pi stacking interactions that seem to play a vital role in driving the self-assembly of molecules and subsequently governing the nucleation process. In contrast, molecules in metastable polymorphs are devoid of such extended pi-stacking assemblies. Interestingly, differential scanning calorimetry, hot stage microscopy, and X-ray crystallographic studies confirmed the thermal crystal-to-crystal transition of all three metastable polymorphs of 1 (form 1II, form 1III, and form 1IV) to its thermodynamically stable crystal form (form 1I). Conformational analysis of molecule 1 using density functional theory calculations also validated higher stability for syn conformation (observed in Form 1I crystals) over anti and midway conformations (seen in metastable polymorphs). Melt crystallization of form 1I crystals of 1 on the larger face (001) of delta-pyrazinamide and lattice matching analysis (GRACE) revealed that the layered arrangement of molecules of delta-pyrazinamide (on 001 face) during heterogeneous nucleation acts as a template (heteroepitaxy) to provide a preferential site for the nucleation of new metastable polymorphs by selectively inhibiting the most preferred crystal form from growing into the nucleus. Solution state one- and two-dimensional (NOESY) H-1 NMR, scanning electron microscopy, and a Cambridge Structural Database survey were conducted to substantiate the role of additives during crystallization.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.6b00204}, author = {Gawade, Rupesh L. and Chakravarty, Debamitra K. and Kotmale, Amol and Sangtani, Ekta and Joshi, Pranaya V. and Ahmed, Awais and Mane, Manoj V. and Das, Susanta and Vanka, Kumar and Rajamohanan, Pattuparambil R. and Puranik, Vedavati G. and Gonnade, Rajesh G.} } @article {43588, title = {Adsorption of strontium (II) metal ions using phosphonate-functionalized polymer}, journal = {Bulletin of Materials Science}, volume = {39}, year = {2016}, month = {OCT}, pages = {1541-1556}, abstract = {Diethyl[3-(methoxydimethylsilyl)propyl]phosphonate (DMPP) polymer was synthesized for the strontium (II) metal ion recovery using diethylallylphosphonate as staring material. Diethylallylphosphonate was reacted with poly(methylhydro)siloxane (MW 1900-2000 g mol (-1) ) in the presence of Speier{\textquoteright}s catalyst. The synthesized monomer was characterized by IR, (1) H NMR, (1 3) C NMR and FT-IR spectroscopy techniques, and the synthesized polymers were characterized by IR and NMR spectroscopy, differential scanning calorimetry, thermogravimetric analysis and solubility. The synthesized polymer was used for sequestering strontium metal from the aqueous solution. The metal binding was examined by the energy dispersive spectroscopy and scanning electron microscopy for the adsorbed Sr(II). Batch adsorption studies were performed by varying three parameters, namely initial pH, adsorbent dose and the contact time. The reaction kinetics was determined by the Langmuir, Freundlich, and pseudo-first- and second-order models. Results of this study indicate that the synthesized polymer DMPP has been effective in removing Sr(II) from the aqueous solution.}, doi = {10.1007/s12034-016-1295-7}, author = {Bhosle, S. M. and Ponrathnam, S. and Tambe, S. S. and Chavan, N. N.} } @article {43606, title = {Adsorptive removal of 2,4-dichlorophenoxyacetic acid from aqueous solution using bagasse fly ash as adsorbent in batch and packed-bed techniques}, journal = {Clean Technologies and Environmental Policy}, volume = {18}, year = {2016}, month = {AUG}, pages = {1971-1983}, abstract = {Among the several synthetic herbicides available currently, 2,4-D is a commonly used herbicide to control broadleaf weeds in agriculture and forestry. However, its increasing use in agricultural and nonagricultural activities has resulted in increasing concentrations of 2,4-D being detected in water bodies. Thus, there is a need to identify methods to remove 2,4-D to protect the environment. Among the various methods used for 2,4-D removal, adsorption is found to be effective, and several adsorbents have been studied to remove 2,4-D from aqueous solutions. In this study, we used bagasse fly ash (BFA), a common industrial waste generated in large amount worldwide, for 2,4-D removal from aqueous solution using batch and continuous packed-bed adsorption. In the batch adsorption process, the effects of initial concentration, contact time, temperature, pH, and particle size of BFA were studied. The packed-bed performance of BFA was investigated by varying the influent concentration (50-150 mg/L), flow rate (1.2-4 mL/min), and bed height (4.5-9 cm). Isotherm and thermodynamic parameters are determined for batch adsorption, whereas the performance of continuous adsorption is evaluated by different packed-bed models. The particle-size effect indicated the higher removal of 2,4-D on the bigger particles of BFA due to greater BET surface area and carbon-to-silica ratio than smaller particles. The maximum percentage removal (37.04) is achieved for an influent concentration of 50 mg/L, flow rate of 1.2 mL/min, and bed height of 6.5 cm. For the first time ever, the deactivation kinetic model was applied for the solid-liquid adsorption system and it showed the best fit among the selected models. The bed capacity (m(2)/g) of BFA is three times greater than synthetic activated carbon for adsorption of 2,4-D. This informs that the BFA can be used as an adsorbent for 2,4-D removal from aqueous solution.}, doi = {10.1007/s10098-016-1124-0}, author = {Deokar, Sunil K. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {43639, title = {Adsorptive removal of diuron on biomass ashes: a comparative study using rice husk ash and bagasse fly ash as adsorbents}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {JAN}, pages = {22378-22391}, abstract = {This study describes the use of two types of biomass ashes (BMAs) as adsorbents for diuron removal. Two BMAs, namely rice husk ash (RHA) and bagasse fly ash (BFA), were used in this study, and their adsorption behavior and adsorption mechanism were compared based on various characteristics, such as surface area, pore diameter, and volume. It was found that the particle size and the composition of these BMAs, especially the content of carbon and silica, primarily affect the adsorption kinetics and capacity. Compared with RHA, BFA has more carbon content (47.37\%), and therefore shows higher adsorption capacity (43.48mol/g). In addition, BFA has larger external surface area and exhibited faster kinetics at the initial adsorption stage; by contrast, RHA due to its larger pore diameter allows for faster pore adsorption and surpasses the initial kinetic rate of BFA. For the same particle size (0.354-0.251mm), the equilibrium capacity of BFA was found to be four times greater than that of RHA; in addition, the surface area of BFA is two times more than that of RHA, suggesting that BFA has more active sites than RHA. It was found that solution pH influences adsorption mechanism of diuron molecule on BMA. The uptake capacity of BFA and RHA is 10 times greater than natural adsorbents such as soil and is comparable with synthetic adsorbents such as activated carbon and multiwalled carbon nanotubes. To our knowledge, removal of diuron using ashes has not been reported previously.}, doi = {10.1080/19443994.2015.1132394}, author = {Deokar, Sunil K. and Singh, Diksha and Modak, Sweta and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {43607, title = {Agro-industrial waste: a low cost adsorbent for effective removal of 4-chloro-2-methylphenoxyacetic acid herbicide in batch and packed bed modes}, journal = {Environmental Science and Pollution Research}, volume = {23}, year = {2016}, month = {AUG}, pages = {16164-16175}, abstract = {The present work describes the aqueous phase removal of 4-chloro-2-methylphenoxyacetic acid herbicide by rice husk ash (RHA) using batch and packed bed adsorption techniques. The effects of dosage, initial concentration, time, pH, temperature, and particle size of adsorbent in batch compared with effects of influent concentration, flow rate, and bed height in packed bed were studied. The particle size effect reveals that the removal is dependent on chemical composition (silica and carbon content) together with BET surface area of RHA. The aptness of Langmuir isotherm to batch data indicates the favorable adsorption whereas that of Temkin isotherm informs the heterogeneous nature of RHA. The kinetics of adsorption follows the pseudo-second order and Elovich models while thermodynamics of process indicates the exothermic adsorption. Among the models applied in packed bed study, the deactivation kinetic, Yoon-Nelson and bed depth service time (BDST) models are suitable to explain the packed bed adsorption. The adsorption capacity of RHA in packed bed study is found greater than that in batch. The adsorption capacity of RHA determined by the BDST model is 3019 mg/L for 90 \% saturation of bed. The adsorption capacity of RHA based on weight is similar to 2.3 times and that based on surface area is similar to 55.55 times greater than that of granular activated carbon.}, doi = {10.1007/s11356-016-6769-z}, author = {Deokar, Sunil K. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @inbook {45834, title = {Alkoxycarbonylation for fine chemicals: carbamates}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = { 693-719}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {Carbamates are an important class of compounds having wide applications in pharmaceutical, polymer, and agriculture industry. A brief account of the history of carbamates, their synthesis, and applications in chemical industry is presented in this chapter. A section on synthesis of carbamates by catalytic methoxycarbonylation of amines is also included. Results of lead-catalyzed methoxycarbonylation of aniline to methyl- N-phenyl carbamate are presented as a model case study. The synthesis of several carbamates has been reported using dimethyl carbonate to illustrate the usefulness of the method.}, doi = {10.1016/B978-0-12-801457-8.00015-X}, author = {Didgikar, M. R. and Joshi, S. S.} } @article {43569, title = {Alkyl-chain-separated triphenybenzene - carbazole conjugates and their derived polymers: candidates for sensory, electrical and optical materials}, journal = {Chemistry Select}, volume = {1}, year = {2016}, month = {DEC}, pages = {6649-6657}, abstract = {Four new triphenylbenzene based carbazoles (THPBCz4, THPBCz6, THPBCz8 and THPBCz10) and polycarbazoles (polyTHPBCz4, polyTHPBCz6, polyTHPBCz8 and polyTHPBCz10), have been synthesized. Photoluminescence spectra of the monomers in dichloromethane exhibit two intense bands at 353 and 369 nm. Two additional bands (410 and 435 nm) are also observed due to intermolecular interactions. These bands are more intense in the case of thin films, indicating stronger pp stacking interactions in the solid state. Due to the extended p-conjugation, the polycarbazoles display two main emission bands (495 and 520 nm) which are red shifted as compared to the monocarbazoles. Due to the presence of emissive platforms such as triarylbenzene and carbazole, both monomers and polymers, function as efficient sensors for the detection of polynitroaromatic analytes (PA, DNT, rho-DNB and m-DNB). The electrochemically polymerized carbazole derivatives showed maximum capacitance of 41 F/g for polyTHPBCz6. The SCLC measurement reveals a maximum mobility of 6 x 10(-6) cm(2)/Vs for polyTHPBCz4 that showed better packing due to flexible alkyl chains that connect the conjugated moieties.}, doi = {10.1002/slct.201601428}, author = {Kaleeswaran, D. and Vishnoi, Pratap and Kumar, Subramani and Chithiravel, Sundaresan and Walawalkar, Mrinalini G. and Krishnamoorthy, Kothandam and Murugavel, Ramaswamy} } @article { ISI:000374436900038, title = {Alkyne [2+2+2]-cyclotrimerization approach for synthesis of 6,7-cyclopropylallocolchicinoids}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {8}, year = {2016}, month = {APR}, pages = {3400-3406}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Employing a cobalt-catalyzed [2 + 2 + 2] alkyne cyclotrimerization as the final step, the short and efficient synthesis of cyclopropylallocolchicinoid and its analogues having functional group variations at C9 and/or C10 and C11 of ring C has been accomplished.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.6b00020}, author = {More, Atul A. and Ramana, Chepuri V.} } @article { ISI:000370307800008, title = {Alternate synthesis of appetite suppressant (R)-2-benzylmorpholine employing Sharpless asymmetric epoxidation strategy}, journal = {Tetrahedron Letters}, volume = {57}, number = {8}, year = {2016}, month = {FEB}, pages = {861-863}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An alternate synthesis of (R)-2-benzylmorpholine 1, an appetite suppressant agent has been accomplished starting from readily available trans-cinnamyl alcohol employing Sharpless asymmetric epoxidation strategy as a key step, with an overall yield of 24\%. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {(R)-2-Benzylmorpholine, Appetite suppressant, Sharpless asymmetric epoxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2016.01.032}, author = {Viswanadh, N. and Mujumdar, P. and Sasikumar, M. and Kunte, S. S. and Muthukrishnan, Murugan} } @article { ISI:000372759100036, title = {Amelioration of excision wounds by topical application of green synthesized, formulated silver and gold nanoparticles in albino Wistar rats}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {62}, year = {2016}, month = {MAY}, pages = {293-300}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Wound healing, a complex biological process, has attained a lot of attention as dermatologists are primarily interested in stimulated wound closure without formation of scar or a faint scar. The recent upsurgence of nanotechnology has provided novel therapeutic materials in the form of silver and gold nanoparticles which accelerate the wound healing process. The effect of formulated nanoparticles using Coleus forskohlii root extract (green synthesized) has been tried out for ameliorating full thickness excision wounds in albino Wistar male rats. The evaluation of in vivo activity of nanoparticles in wound healing was carried out on open wounds made by excision on the dorsal sides of albino Wistar rats under anesthesia, and the healing of the wounds was assessed. Histological aspects of the healing process were studied by a HE (Hematoxylin and Eosin) staining method to assess various degrees of re-epithelialization and the linear alignment of the granulation tissue whereas Van Gieson{\textquoteright}s histochemical staining was performed to observe collagen fibers. The healing action shown by the formulated nanoparticles was remarkable during the early stages of wound healing, which resulted in the substantial reduction of the whole healing period. Topical application of formulated gold nanoparticles was found to be more effective in suppressing inflammation and stimulating re-epithelialization compared to silver nanoparticles during the healing process. The results throw light on the amelioration of excision wounds using nanoparticles which could be a novel therapeutic way of improving wound healing in clinical practice. The mechanism of advanced healing action of both types of nanoparticles could be due to their antimicrobial, antioxidant and anti-inflammatory properties. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {collagen, Gold, green synthesis, Nanopraticles, wound Healing}, issn = {0928-4931}, doi = {10.1016/j.msec.2016.01.069}, author = {Naraginti, Saraschandra and Kumari, P. Lakshmi and Das, Raunak Kumar and Sivakumar, A. and Patil, Sagar Hindurao and Andhalkar, Vaibhav Vilas} } @article { ISI:000369587800022, title = {Ammonium catalyzed cyclitive additions: evidence for a cation-pi interaction with alkynes}, journal = {Chemical Communications}, volume = {52}, number = {11}, year = {2016}, month = {DEC}, pages = {2311-2313}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The addition of carbamate nitrogen to a non-conjugated carbon-carbon triple bond is catalyzed by an ammonium salt leading to a cyclic product. Studies in homogeneous systems suggest that the ammonium agent facilitates nitrogen-carbon bond formation through a cation-p interaction with the alkyne unit that, for the first time, is directly observed by Raman spectroscopy.
}, issn = {1359-7345}, doi = {10.1039/c5cc08641h}, author = {Nagy, Edith and St Germain, Elijah and Cosme, Patrick and Maity, Pradip K. and Terentis, Andrew C. and Lepore, Salvatore D.} } @article { ISI:000369572000024, title = {Angiotensin II analogs comprised of pro-amb (gamma-turn scaffold) as angiotensin II type 2 (AT(2)) receptor agonists}, journal = {Chemical Communications}, volume = {52}, number = {8}, year = {2016}, month = {NOV}, pages = {1645-1648}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We describe herein the design, synthesis and conformational investigation of Pro-Amb (proline-3-amino-2-methoxybenzoic acid) incorporated Angiotensin II and its truncated analogues. Solution-state NMR and CD studies suggest gamma-turn-like conformation in Pro-Amb analogs in aqueous solution. Furthermore, Pro-Amb analogs have been shown to act as AT(2) receptor agonists.
}, issn = {1359-7345}, doi = {10.1039/c5cc09687a}, author = {Jedhe, Ganesh S. and Kotmale, Amol S. and Rajamohanan, Pattuparambil R. and Pasha, Santosh and Sanjayan, Gangadhar J.} } @article { ISI:000372253700012, title = {Anion coordinated capsules and pseudocapsules of tripodal amide, urea and thiourea scaffolds}, journal = {RSC Advances}, volume = {6}, number = {32}, year = {2016}, month = {MAR}, pages = {26568-26589}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This review aims to deliver a detailed and comparative account of the reported examples of anion (halide and oxyanions) coordinated capsules and pseudocapsules of tripodal receptors that employ hydrogen bonds and/or electrostatic hydrogen bonds offered by specific binding sites from amide, urea and thiourea functionalities. The review discusses both the structural aspects of anion binding and solution-state anion binding affinities of N-bridged and aryl-bridged tripodal receptors. Discussions relating to selective anion recognition and separation, carbondioxide uptake, and transmembrane anion transport, as demonstrated by some of these tripodal receptors have also been included in this review.
}, issn = {2046-2069}, doi = {10.1039/c6ra00268d}, author = {Dey, Sandeep Kumar and Basu, Arghya and Chutia, Romen and Das, Gopal} } @article { ISI:000378790600010, title = {Anti-oxidant properties of ficus religiosa L. Bark extract on human keratinocytes}, journal = {Science of Advanced Materials}, volume = {8}, number = {6}, year = {2016}, month = {JUN}, pages = {1221-1226}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Ficus religiosa (Sacred Fig) is a medicinally important tree, native to the Indian subcontinent. It has been extensively pharmacologically researched species having wide spectrum of medicinal properties. All parts of F. religiosa tree are known to possess important medicinal properties such as anti-oxidant, anti-inflammatory, wound healing and skin diseases etc. However, effects of F. religiosa on skin cells line HaCaT was not studied for its antioxidant properties. In this report we have investigated F. religiosa bark aqueous extract for its antioxidant properties on human keratinocytes (HaCaT) cell line using DPPH, superoxide dismutase 1, superoxide dismutase 2 and catalase assay. We observed that F. religiosa bark aqueous extract efficiently scavenged (80\%) DPPH radicals. Superoxide dismutase1 assay of F. religiosa bark aqueous extract effectively scavenged superoxide radicals (O-2(-)) and showed dose dependent activity. Reactive oxygen species were trapped by superoxide dismutase 2 assay of F. religiosa bark aqueous extract and form hydrogen peroxide. Catalase assay results revelled that hydrogen peroxide was further decomposed to give water and oxygen. Thus various anti-oxidant assays of F. religiosa bark aqueous extract indicate that it efficiently reduced the reactive oxygen species in skin cells.
}, keywords = {Anti-Oxidant, Catalase Assay, DPPH Assay, Ficus religiosa, Keratinocyte HaCaT Cell Line, Moraceae, SOD Assay}, issn = {1947-2935}, doi = {10.1166/sam.2016.2740}, author = {Dixit, Shailesh S. and Kulkarni, Atul and Seo, Hyo Hyun and Gadgil, Jayant and Dingre, Medini and Umar, Ahmad and Moh, Sang Hyun and Parasharami, Varsha A.} } @article { ISI:000377464900011, title = {Antioxidative metabolites synthesized by marine pigmented vibrio sp and its protection on oxidative deterioration of membrane lipids}, journal = {Applied Biochemistry and Biotechnology}, volume = {179}, number = {1}, year = {2016}, month = {APR}, pages = {155-167}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
Bacterial strain Vibrio sp. (PIGB 184) isolated from water samples of the Arabian Sea and identified through 16S rRNA demonstrated the production of pigmentary antioxidants with higher ABTS activities 90.9 +/- 0.42 \% in comparison with the standard commercial pigmented antioxidant, quercetin 88.8 +/- 1.4 \%. Antioxidative metabolites of this strain substantially inhibit the lipid peroxidation (LPO) reactions tested in sheep liver and brain. The antioxidant compounds produced by the Vibrio sp. (PIGB 184), analysed by GC-MS, reveals that it is composed mostly of phenol, 2,4-bis(1,1-dimethylethyl) and pyrrolo[1,2-a]pyrazine-1,4-dione,hexahydro-3-(2-methylpropyl). The interrelationship assessed between LPO and the phenolic compounds showed significant correlation with anti-LPO properties (R (2) = 0.9698 to 0.9861). These compounds are responsible for obstruction of harmful radical associated biochemical reactions in biological systems. Pigmented metabolites also tested for attributive biological properties against pathogenic bacteria showed prominent inhibition towards Gram-positive organisms (31.25 to 62.5 mu g ml(-1)). From this study, it may be suggested that the marine bacterium PIGB 184 could be used as a potential bio-resource for antioxidants and needs to be worked out for mass production.
}, keywords = {Antioxidants, Lipid peroxidation, Marine pigmented bacteria, Pathogen inhibition, Phenolics}, issn = {0273-2289}, doi = {10.1007/s12010-016-1985-z}, author = {Pawar, Ravindra and Mohandass, Chellandi and Dastager, Syed Gulam and Kolekar, Yogesh M. and Malwankar, Rahul} } @article {45644, title = {Application of glucose derived magnetic solid acid for etherification of 5-HMF to 5-EMF, dehydration of sorbitol to isosorbide, and esterification of fatty acids}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {SEP }, pages = {4398-4400}, type = {Article}, abstract = {
In this study, the catalytic activity of Glu-Fe3O4-SO3H was evaluated for three acid catalyzed reactions: etherification of 5-hydroxymethylfurfural (5-HMF) to 5-ethoxymethylfurfural (5-EMF) in ethanol, dehydration of sorbitol to isosorbide, and esterification of fatty acids with good yields and selectivity. Moreover, the catalyst can be easily separated from the reaction with an external magnetic force and reused at least five times without a significant decrease in catalytic activity. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {dehydration, Esterification, etherification, Magnetic}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2016.08.061}, author = {Thombal, Raju S. and Jadhav, Vrushali H.} } @article { ISI:000382713800008, title = {Application of roof-shape amines as chiral solvating agents for discrimination of optically active acids by NMR spectroscopy: study of match-mismatch effect and crystal structure of the diastereomeric salts}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {17}, year = {2016}, month = {SEP}, pages = {7384-7392}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Optically active roof-shape amines were prepared and scanned as chiral solvating agents to study molecular recognition of acids by NMR analysis. Three types of amines were studied to establish a match mismatch effect for structurally diverse acid analytes. Single-crystal X-ray diffraction analysis was performed on the diastereomeric salts of roof shape amines and both isomers of mandelic acid to establish molecular conformation and correlate the absolute configuration with the observed NMR shift. The present system also recognizes the two isomers of weakly acidic BINOL and its derivatives.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.6b00935}, author = {Gupta, Riddhi and Gonnade, Rajesh G. and Bedekar, Ashutosh V.} } @article { ISI:000373421700065, title = {Architecture of 2D MoS2 nanosheets and 3D CdMoS4 marigold flowers: consequence of annealing on field emission performance}, journal = {Microporous and Mesoporous Materials}, volume = {225}, year = {2016}, month = {MAY}, pages = {573-579}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Herein, we report the field electron emission investigations on template free solvothermally synthesized layered MoS2 nanosheets as well as novel phase of CdMoS4 nanoflowers at the base pressure of similar to 1 x 10(-8) mbar. The turn-on field, threshold field and maximum emission current densities for both MoS2 and CdMoS4 are strongly influenced by thermal annealing in inert atmosphere. The turn on field, required to draw emission current density of 1 mu A/cm(2) is found to be 5.8 and 3.2 V/mu m for pristine and annealed MoS2 at 400 degrees C. In case of as prepared and annealed CdMoS4 sample the turn on field values are found to be similar to 6.2 and 5.0 V/mu m, respectively. The emission current versus time (I-t) plot measured at the preset current values of similar to 1 mu A for pristine and annealed sample indicates stable operation of the emitter. The emission current fluctuations for annealed sample are observed to be less as compared with the pristine sample due to conditioning of the emitter, thereby showing highly stable nature of emitter. Thus, the present result demonstrates the potential of annealed MoS2 nanosheets and CdMoS4 nanoflowers as an emerging materials for micro/nanoelectronics and flat panel field emission display applications. (C) 2016 Elsevier Inc. All rights reserved.
}, keywords = {field emission, MoS2 and CdMoS4, Nanoflowers, nanosheets}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2016.01.033}, author = {Kadam, Sunil R. and Suryawanshi, Sachin R. and Panmand, Rajendra P. and Mate, Vivek R. and More, Mahendra A. and Late, Dattatray J. and Kale, Bharat B.} } @article {42417, title = {Aryne [2,3] stevens rearrangement}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {OCT}, pages = {5428-5431}, abstract = {
Arynes are employed in the transition-metal-free and mild [2,3] Stevens rearrangement of tertiary allylic amines for the synthesis of functionalized homoallylic amines in moderate to good yield with a broad substrate scope. The key nitrogen ylide intermediate was generated by the N-arylation of allyl amines using arynes. Moreover, the reaction of chiral allyl amines with arynes resulted in the enantiospecific synthesis of homoallylic amines. In addition, preliminary studies on the [1,2] Stevens rearrangement is also presented.
}, doi = {10.1021/acs.orglett.6b02809}, author = {Roy, Tony and Thangaraj, Manikandan and Kaicharla, Trinadh and Kamath, Rupa V. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000377612300010, title = {Asymmetric total synthesis of L-allo-1-deoxynojirimycin}, journal = {Arkivoc}, number = {2}, year = {2016}, month = {OCT}, pages = {137-147}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
Asymmetric total synthesis of L-allo-1-deoxynojirimycin (L-allo-DNJ) was achieved from cis-butene-1,4-diol by employing Sharpless asymmetric dihydroxylation, stereoselective flash dihydroxylation and ring enlargement reactions as key steps.
}, keywords = {diastereoselective flash dihydroxylation, ring-enlargement reaction, sharpless asymmetric dihydroxylation}, issn = {1551-7004}, doi = {10.3998/ark.5550190.p009.295}, author = {Chavan, Subhash P. and Dumare, Nilesh B. and Pawar, Kailash P. and Chavan, Prakash N. and Khairnar, Lalit B.} } @article {43611, title = {Asymmetric transfer hydrogenation of cyclic imines in water with a versatile hydrogen donorformic acid/N-methylpiperidine: rapid access to highly enantioselective amines}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {JUL}, pages = {2221-2224}, abstract = {Asymmetric transfer hydrogenation (ATH) of cyclic imines in water has been investigated for the first time by using HCOOH in combination with bases other than triethylamine as H donor. Effect of FA/Base ratio has shown significant impact on activity and enantioselectivity for ATH reaction in water. Use of methanol as a co-solvent improved the reduction performance. FA/N-methylpiperidine was found to be excellent, versatile hydrogen donor for ATH of imine 6,7-dimethoxy-1-methyl-3,4-dihy-droisoquinoline (1a) giving by far the highest noted TOF value of 5940 h(-1). ATH of-different imines derivatives including 3, 4-dihydoisoquinolines, beta-carbolines and cyclic sulfonyl imines have been performed with excellent activity (91-99\% yield) and enantioselectivity (88-97\%) in very short time (1-2 min). This is very simple protocol for rapid access to enantioselective amines with very new and versatile hydrogen donor 1.1 FA/Nmethylpiperidine.}, doi = {10.1002/slct.201600497}, author = {Shende, Vaishali S. and Shingote, Savita K. and Deshpande, Sudhindra H. and Kelkar, Ashutosh. A.} } @article {45836, title = {Atomically thin WS2 nanosheets based gas sensor}, journal = {Sensor Letters}, volume = {14}, year = {2016}, month = {DEC}, pages = {1249-1254}, type = {Article}, abstract = {We report here the UV light and NO2 gas sensing properties of atomically thin few-layered WS2 nanosheets synthesized by a simple hydrothermal method. For the UV sensor, the response time was observed to be <15 s whereas the recovery time was <56 s. The Few layered WS2 nanosheets sensor devices were also tested for different concentration of NO2 gas at room temperature and 100 {\textdegree}C. The response time was observed to be <60 s whereas recovery time was >10 min. Further, the response and recovery time can be shortened by UV illumination or by removing the absorbed gas by heating the device at higher temperature. Our results open up the new avenues for gas sensors based on two-dimensional inorganic layered materials. }, doi = {10.1166/sl.2016.3764}, author = {Late, D. J. and Kanawade, R. V. and Kannan, P. K. and Rout, C. S.} } @article {42830, title = {Attempt to correlate surface physics and chemical properties : molecular beam and Kelvin probe investigations of Ce 1-x Zr x O 2 thin films}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, year = {2016}, month = {SEP}, pages = {27594-27602}, type = {Article}, abstract = {
What is the correlation between physical properties of the surfaces (such as surface potential, electronic nature of the surface), and chemical and catalysis properties (such as chemisorption, sticking probability of surface)? An attempt has been made to explore any correlation that might exist between the physical and chemical properties of thin film surfaces. Kelvin probe microscopy (KPM) and the molecular beam (MB) methods were employed to carry out the surface potential, and oxygen adsorption and oxygen storage capacity (OSC) measurements on Ce1-xZrxO2 thin films. A sol{\textendash}gel synthesis procedure and spin-coating deposition method have been applied to make continuous nanocrystalline Ce1-xZrxO2 (x = 0{\textendash}1) (CZ) thin films with uniform thickness (35{\textendash}50 nm); however, surface roughness and porosity inherently changes with CZ composition. MB studies of O2 adsorption on CZ reveal high OSC for Ce0.9Zr0.1O2, which also exhibits highly porous and significantly rough surface characteristics. The surface potential observed from KPM studies varied between 30 and 80 mV, with Ce-rich compositions exhibiting the highest surface potential. Surface potential shows large changes after reduction or oxidation of the CZ film demonstrating the influence of Ce3+/Ce4+ on surface potential, which is also a key to catalytic activity for ceria-based catalysts. The surface potential measured from KPM and the OSC measured from MB vary linearly and they depend on the Ce3+/Ce4+ ratio. More and detailed studies are suggested to arrive at a correlation between the physical and chemical properties of the surfaces.
}, issn = {1463-9076}, doi = {10.1039/C6CP04700A}, author = {Kolekar, Sadhu K. and Dubey, Anjani and Date, Kalyani S. and Datar, Suwarna and Gopinath, Chinnakonda S.} } @article {42844, title = {Au(I)/Ag(I) co-operative catalysis: interception of Ag-bound carbocations with α-gold(I) enals in the imino-alkyne cyclizations with N-allenamides}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {NOV}, pages = {14462-14465}, doi = {10.1039/C6CC08385D}, author = {Bagle, Pradip N. and Mane, Manoj V. and Vanka, Kumar and Shinde, Dinesh R. and Shaikh, Samir R. and Gonnade, Rajesh G. and Patil, Nitin T.} } @article { ISI:000380574100066, title = {Azadirachta indica triterpenoids promote osteoblast differentiation and mineralization in vitro and in vivo}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {15}, year = {2016}, month = {AUG}, pages = {3719-3724}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Terpenoids were isolated using chromatographic purification through solvent purification technique and identified as Azadirone (1), Epoxyazadiradione (2) Azadiradione (3) Gedunin (4) Nimbin (5) Salannin (6) Azadirachtin A (7) and Azadirachtin B (8) from Azadirachta indica. Out of eight compounds, only three compounds had osteogenic activity and enhanced osteoblast proliferation, differentiation and mineralization in osteoblast cells. Active compounds stimulated osteogenic genes ALP, RunX-2 and OCN expressions in vitro, but Azadirachtin A had a maximum ability to stimulate osteoblast differentiation and mineralization compared to other two active compounds. For in vivo study, Azadirachtin A injected subcutaneously in pups, which enhanced osteogenic gene expressions and promoted bone formation rate significantly. Here, we conclude that active compounds of Azadirachta indica have osteogenic activity and Azadirachtin A has a beneficial effects on bone. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {ALP and mineralization assay, Balb/c mice pups, Calvarial osteoblast cells, Gene expressions}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.05.076}, author = {Kushwaha, Priyanka and Khedgikar, Vikram and Haldar, Saikat and Gautam, Jyoti and Mulani, Fayaj A. and Thulasiram, Hirekodathakallu V. and Trivedi, Ritu} } @article {43440, title = {Azadirachtin a interacts with er alpha domain and regulates bone formation}, journal = {Osteoporosis International}, volume = {27}, year = {2016}, month = {NOV}, pages = {S778-S778}, type = {Meeting Abstract}, author = {Kushwaha, P. and Khedgikar, V. and Gautam, J. and Kumar, A. and Thulasiram, Hirekodathakallu V. and Mishra, P. R. and Trivedi, P. K. and Trivedi, R.} } @article { ISI:000370650200008, title = {Bacillus cellulasensis sp nov., isolated from marine sediment}, journal = {Archives of Microbiology}, volume = {198}, number = {1}, year = {2016}, month = {JAN}, pages = {83-89}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
A novel bacterial strain NIO-1130(T) was isolated from sediment sample taken from Chorao Island, Goa Province, India, and subjected to a taxonomic investigation. The strain was Gram-positive, aerobic, and motile. Phylogenetic analysis based on 16S rRNA gene sequences placed the isolate within the genus Bacillus and strain NIO-1130(T) showed highest sequence similarity with Bacillus halosaccharovorans DSM 25387(T) (98.4 \%) and Bacillus niabensis CIP 109816(T) (98.1 \%), whereas other Bacillus species showed \< 97.0 \% similarity. Tree based on gyrB gene sequence revealed that strain bacillus group. The major menaquinone was MK-7 and the predominant cellular fatty acids were iso-C-15:0, anteiso-C-15:0, iso-C-17:0, and anteiso-C-17:0. The strain showed a DNA G+C content of 39.9 mol\%. DNA-DNA hybridization studies revealed that strain NIO-1130(T) exhibits 70 \% similarity with Bacillus halosaccharovorans DSM 25387(T) and Bacillus niabensis CIP 109816T. On the basis of physiological, biochemical, chemotaxonomic and phylogenetic analyses, we consider the isolate to represent a novel species of the genus Bacillus, for which the name Bacillus cellulasensis sp. nov., is proposed. The type strain is NIO-1130(T) (=NCIM 5461(T) = CCTCC AB 2011126(T)).
}, keywords = {Bacillus sp, Cellulase, Marine sediment, Polyphasic taxonomy}, issn = {0302-8933}, doi = {10.1007/s00203-015-1155-7}, author = {Mawlankar, Rahul R. and Thorat, Meghana N. and Krishnamurthi, Srinivasan and Dastager, Syed Gulam} } @inbook {45837, title = {Balancing omega-6: Omega-3 ratios in oilseeds}, booktitle = {Omega-3 fatty acids: keys to nutritional health}, year = {2016}, pages = {203-220}, publisher = {Springer International Publishing}, organization = {Springer International Publishing}, abstract = {Fats and oils are the essential constituents of human diet, and nearly 80 \% of these are obtained from plants. The predominant fatty acids present in plant oils are saturated and unsaturated compounds with straight aliphatic chains of carbon atoms and a single carboxyl group. Depending on the position of the first double bond from the methyl end in the fatty acyl chain, the mono- and polyunsaturated fatty acids can be denoted as -9, -6, or -3. Excess consumption of -6 fatty acids has greatly and unfavorably increased the -6: -3 ratio up to 25:1, which is associated with prevalence of many negative health effects, including cardiovascular diseases, cancer, osteoporosis, and inflammatory and autoimmune diseases. Because the -3 fatty acids (FAs) are the precursors for synthesis of anti-inflammatory eicosanoids, balancing the -6: -3 ratio is vital. The easiest approach to achieve this would be consumption of oils rich in -3 FAs, such as linseed oil. Alternatively, the fatty acid biosynthetic pathway in plants producing high -6 FAs can be altered by biotechnological means, so that they produce higher proportion of -3 FAs. This chapter describes the current knowledge of the fatty acid biosynthesis pathway in plants, including the genes involved, their temporal and spatial expression patterns, and various fluxes that they drive. The choice of oilseeds, genes, and promoters for modulating the fatty acid biosynthesis flux from -6 to -3 fatty acids is also dealt with. The potential hurdles in achieving these and possible solutions have also been described.}, doi = {10.1007/978-3-319-40458-5_15}, author = {Chirmade, T. P. and Sanghi, S. and Rajwade, A .V. and Gupta, V. S. and Kadoo, N. Y.} } @article { ISI:000379306400014, title = {Band edge modulated polymer layer to decrease back electron transfer and increase efficiency in sensitized solar cells}, journal = {Advanced Energy Materials}, volume = {6}, number = {9}, year = {2016}, month = {MAY}, pages = {1502334}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Recombination of charges residing in the TiO2 and redox electrolyte is one of the factors affecting the efficiency of dye sensitized solar cells (DSSCs). To circumvent this recombination, inorganic oxide barrier layers and organic silanes have been coated on TiO2/dyes. Due to the insulating nature of these layers, the efficiency increase is not very impressive. Conducting polymers with different band edges are used to suppress the charge recombination. Amongst the four polymers that are used as barrier layers, a polymer with a highest occupied molecular orbital energy at -5.8 eV and lowest unoccupied molecular orbital at -3.1 eV is found to increase the electron life time at TiO2 and decrease the charge recombination. The electron life time is found to be 88 ms. In addition to the long electron life time, the recombination resistance of this polymer is also high (91 Omega). This resistance is 18\% higher than that measured for DSSCs without polymer barrier layer. These factors impact the efficiency of DSSCs. DSSCs fabricated with this polymer as barrier layer exhibit an efficiency of 9.2\%, which is 22\% higher than that of DSSCs without polymer barrier layer.
}, issn = {1614-6832}, doi = {10.1002/aenm.201502334}, author = {Arulkashmir, Arulraj and Sudhakar, Vediappan and Krishnamoorthy, Kothandam} } @article { ISI:000369482900019, title = {Behaviour of biomass multicomponent ashes as adsorbents}, journal = {Current Science}, volume = {110}, number = {2}, year = {2016}, month = {JAN}, pages = {180-186}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Physico-chemical characteristics of rice husk ash and baggase fly ash, commonly referred to as biomass ashes enable their use as adsorbents. Contrary to normal expectations, it is observed that larger particles have more number, narrower and deeper pores than smaller particles. As a consequence they have higher pore volume, total surface area and hence adsorption capacity. Also, the uptake rate of adsorption depends on the silica to carbon ratio, which is seen to be smaller for larger particles and hence they take a longer time to reach equilibrium. The extent of carbon content determines the capacity, whereas silica to carbon ratio determines the kinetics of adsorption. Removal of 2,4-dichlorophenoxyacetic acid, from aqueous solution was chosen as a representative case for study and the results obtained are compared with earlier reported results.
}, keywords = {Adsorption capacity, bagasse, biomass ash, rice husk, silica to carbon ratio}, issn = {0011-3891}, author = {Deokar, Sunil K. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {43051, title = {Benz{\textendash}amidinato stabilized a monomeric calcium Iodide and a lithium calciate(II) cluster featuring group 1 and group 2 elements}, journal = {ChemistrySelect}, volume = {1}, year = {2016}, month = {APR}, pages = {1066{\textendash}1071}, abstract = {
Soluble calcium halides reported so far are mostly dimeric in nature. The halides occupy the bridging position and thus provide additional coordination to the metal. We obtained a monomeric calcium iodide [{PhC(NiPr)(2)} CaI(thf)(3)] (1) from the reaction of [PhC(NiPr)(2)] Li with Cal(2) in THF. The compound has been stabilized by electronic donation and steric shielding from the amidinate ligand as well as coordination of three THF molecules. 1 does not show any propensity towards ligand exchange reaction. When the same reaction is carried out in diethyl ether instead of THF, it led to the formation of a Li calciate(II) cluster of composition L2Ca4I8Li4O (L= PhC(NiPr)(2)) (2) with an encapsulated O2+ in the middle of a tetrahedron spanned by four Ca2+ ions. 2 represents a metal-rich halide comprising of both alkali and alkaline earth metals which is quite unprecedented. Another notable aspect is that the amidinate ligand binds to the calcium atom in chelating bidentate mode in 1, whereas in 2 each N atom of the amidinate ligands binds to two Ca atoms leading to bridging bis-chelating coordination mode.
}, doi = {10.1002/slct.201600285}, author = {Yadav, Sandeep and Swamy, V. S. V. S. N. and Gonnade, Rajesh G. and Sen, Sakya S.} } @article { ISI:000363815800016, title = {Bicinchoninic acid-based colorimetric chemosensor for detection of low concentrations of cyanide}, journal = {Sensors and Actuators B-Chemical}, volume = {222}, year = {2016}, month = {JAN}, pages = {112-119}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Bicinchoninic acid (BCA) is reagent that is widely used to determine the concentration of proteins in solutions through the colored complex it forms with Cu(I) and the proteins. In this report, we present a new use for BCA, where a highly sensitive method for detection of cyanide ions in solutions by using Cu2+-BCA complex as the chemosensing agent is demonstrated. The detection of cyanide ions is achieved by taking advantage of the nucleophilic attack of the Cu2+-BCA complex by cyanide ions. Upon the addition of cyanide ions, the Cu2+-BCA complex undergoes transformations to free BCA via a series of equilibriums and, as a result, forms different Cu(II)-(BCA)(x)(CN)(y) species depending on the concentrations of cyanide ions in the solution. These different Cu(II)-(BCA)(x)(CN)(y) species, in turn, give different metal-to-ligand charge transfer electronic spectra and colors that are easily detectable both with naked eyes and UV-vis spectroscopy. As the cyanide ion concentration increases, the color of the solution containing the complexes changes from green to purple, red, yellow, and finally colorless, giving a corresponding blue shift in the absorption maxima on their UV-vis spectra. Through this process, the complexes enable detection of cyanide ions with a detection level of up to 0.06 ppm in solutions. Thus, this colorimetric technique based on Cu2+-BCA can make low concentrations of cyanide detectable, well before the concentrations possibly reach lethal amounts. Furthermore, the method is shown to give fast detection response with no interference from other anionic and cationic species and has the potential to be adopted for accurate and convenient analysis of cyanide ions in drinking water sources as well as industrial effluents. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {BCA, Bicinchoninic acid, Chemosensor, Colorimetric sensor, Copper, Cyanide}, issn = {0925-4005}, doi = {10.1016/j.snb.2015.08.043}, author = {Biradar, Archana A. and Biradar, Ankush V. and Sun, Tiffany and Chan, Yung and Huang, Xiaoxi and Asefa, Tewodros} } @article {43044, title = {Big Data Deluge in Biology: Challenges and Solutions}, journal = {Journal of Informatics and Data Mining}, volume = {1}, year = {2016}, month = {JUN}, pages = {1-3}, doi = {10.4172/2472-1956.100014}, author = {Sarkar, Ram Rup} } @article {43614, title = {Bilayer cryogel wound dressing and skin regeneration grafts for the treatment of acute skinwounds}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {JUN}, pages = {15145-15159}, abstract = {In this study, the potential of cryogel bilayer wound dressing and skin regenerating graft for the treatment of surgically created full thickness wounds was evaluated. The top layer was composed of polyvinylpyrrolidone-iodine (PVP-I) and served as the antiseptic layer, while the bottom regenerative layer was made using gelatin cryogel. Both components of the bilayer showed typical features of a cryogel interconnected macropore network, rapid swelling, high water uptake capacity of about 90\%. Both PVP and gelatin cryogel showed high tensile strength of 45 and 10 kPa, respectively. Gelatin cryogel sheets were essentially elastic and could be stretched without any visible deformation. The antiseptic PVP-I layer cryogel sheet showed sustained iodine release and suppressed microbial growth when tested with skin pathogens (zone of inhibition cm for sheet of 0.9 cm diameter). The gelatin cryogel sheet degraded in vitro in weeks. The gelatin cryogel sheet supported cell infiltration, attachment, and proliferation of fibroblasts and keratinocytes. Microparticles loaded with bioactive molecules (mannose-6-phosphate and human fibrinogen) were also incorporated in the gelatin cryogel sheets for their role in enhancing skin regeneration and scar free wound healing. In vivo evaluation of healing capacity of the bilayer cryogel was checked in rabbits by creating full thickness wound, defect (diameter 2 cm). Macroscopic and microscopic observation at regular time intervals for 4 weeks demonstrated better and faster skin regeneration in the wound treated with cryogel bilayer as compared to untreated defect and the repair was comparable to commercial skin regeneration scaffold Neuskin-F. Complete skin regeneration was observed after 4 weeks{\textquoteright} of implantation with no sign of inflammatory response. Defects implanted with cryogel having mannose-6-phosphate showed no scar formation,, while the wound treated with bilayer incorporated with human fibrinogen microparticles showed early signs of skin regeneration; epidermis formation occurred at 2 weeks after implantation.}, doi = {10.1021/acsami.6b04711}, author = {Priya, S. Geetha and Gupta, Ankur and Jain, Era and Sarkar, Joyita and Damania, Apeksha and Jagdale, Pankaj R. and Chaudhari, Bhushan P. and Gupta, Kailash C. and Kumar, Ashok} } @article {42832, title = {Bimetallic and plasmonic Ag-Au on TiO2 for solar water splitting : an active nanocomposite for entire visible light region absorption}, journal = {Chemcatchem}, volume = {8}, year = {2016}, month = {OCT}, pages = {3294-3301}, abstract = {
The current study demonstrates a potential method for maximum utilization of the entire visible light region of the solar spectrum by designing a plasmonic-metals semiconductor composite. A combination of Ag+Au nanoclusters would broaden the visible-light absorption at least between 400 and 650nm. This hypothesis was evaluated through solar water splitting (SWS) activity of Au-TiO2, Ag-TiO2, and Ag on Au-TiO2 (AgAuT) composites. AgAuT bimetallic nanocomposite shows the maximum apparent quantum yield of 3.3\% with hydrogen generation (718molh.g(-1)) from aqueous methanol, and overall water splitting activity (7molg.h(-1), AQY=0.04\%) under one sun conditions. Enhanced photocatalytic activity of AgAuT is partly attributed to the formation of hot electrons. A thin layer of Ag coating on Au particles leads to a core-shell morphology with Au in the core. Fermi level equilibration between metal and titania, and Schottky junction formation are directly demonstrated. The strong electronic interaction between Ag and Au, and with TiO2 is evident from its electron rich character and confirmed by Raman spectroscopy, X-ray photoelectron spectroscopy, photoluminescence, and high-resolution TEM measurements. Electronic factors seem to be responsible for the high rate of hydrogen production.
}, doi = {10.1002/cctc.201600937}, author = {Patra, Kshirodra K. and Gopinath, Chinnakonda S.} } @article { ISI:000380362700119, title = {Bioavailability studies of curcumin-sophorolipid nano-conjugates in the aqueous phase: role in the synthesis of uniform gold nanoparticles}, journal = {RSC Advances}, volume = {6}, number = {72}, year = {2016}, month = {JUL}, pages = {68504-68514}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The major limiting factors for curcumin to be accepted as a modern drug, despite its widespread applications, are its low aqueous solubility, low retention time and poor bioavailability. When subjected to a mild physical stress, curcumin is observed to internalize within the micellar hydrophobic core of oleic acid sophorolipid resulting in the formation of curcumin-sophorolipid nanoconjugates (CurSL). These bio-composites show enhanced retention time and increased bioavailability of curcumin in rat models. In the presence of gold salts, CurSL act as potent reducing and capping agents, resulting in the synthesis of monodispersed, spherical gold nanoparticles (CurSL-GNPs) of 8-10 nm in size. Physicochemical, morphological and optical characteristics of both the nanoparticles are discussed based on spectroscopic absorption, photoluminescence (PL), dynamic light scattering (DLS), zeta potential, SEM and TEM measurements. FTIR spectroscopy signatures of these nanoparticles confirm the retention of functional groups in the end products. A retention time of 2 hours in blood plasma and an increase in curcumin recovery by about 150 times that previously reported were observed in the pharmacokinetic (pK(a)) studies performed on Wistar rats. The bio-distribution of gold nanoparticles in rats was studied using EDX, which revealed their presence in different vital organs. The absence of unusual legions or necrosis in histopathological analysis of vital organs in all the rat models suggests the use of curcuminsophorolipid nano-conjugates enhances curcumin bioavailability and the Cur-SL based nano-gold formulation is a good drug delivery carrier.
}, issn = {2046-2069}, doi = {10.1039/c6ra13469f}, author = {Darne, Priti A. and Mehta, Mihir R. and Agawane, Sachin B. and Prabhune, Asmita} } @article { ISI:000377826000008, title = {Biogenic green synthesis of monodispersed gum kondagogu (Cochlospermum gossypium) iron nanocomposite material and its application in germination and growth of mung bean (Vigna radiata) as a plant model}, journal = {IET Nanobiotechnology}, volume = {10}, number = {3}, year = {2016}, month = {JUN}, pages = {141-146}, publisher = {INST ENGINEERING TECHNOLOGY-IET}, address = {MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND}, abstract = {
An eco-friendly green and one-pot synthesis of highly monodispersed iron (Fe) nanoparticles (NPs) by using a natural biopolymer, gum kondagogu (GK) as reducing and capping agent is proposed. The NPs synthesised were characterised by ultra-violet-visible spectroscopy, transmission electron microscopy, scanning electron microscopy and X-ray diffraction. As the concentration of gum and time increases, the intensity of NPs formation increased. The NPs were highly monodispersed with uniform circular shapes of 2-6 nm in size. The formed NPs were crystalline in nature which was confirmed by diffraction analysis. The conversion ratio of Fe ionic form to NPs was 21\% which was quantified by inductively coupled plasma mass spectroscopy (ICP-MS). Fe is essential for plant growth and development. A study was conducted to examine the effect of these NPs on the growth of mung bean (Vigna radiata). The radical length and biomass was increased in seeds exposed to Fe NPs than the ions. The uptake of Fe NPs by the sprouts was also quantified by ICP-MS, in which Fe was more in mung bean seeds exposed to NPs. The -amylase activity was increased in the seeds exposed to NPs. The observed increase in the biomass by Fe NPs and seed germination may facilitate its application in the agriculture as an important cost-effective method for plant growth.
}, keywords = {alpha-amylase activity, Biogenic green synthesis, biological techniques, Biomass, Cochlospermum gossypium, diffraction analysis, enzymes, Fe, gum concentration, high-monodispersed iron nanoparticles, inductively coupled plasma mass spectroscopy, ionic-to-nanoparticle iron conversion ratio, iron, monodispersed gum kondagogu, monodispersed gum kondagogu iron nanocomposite material, mung bean germination, mung bean growth, Nanobiotechnology, Nanocomposites, nanoparticle formation, Nanoparticles, natural biopolymer, plant growth, plant model, scanning electron microscopy, size 2 nm to 6 nm, transmission electron microscopy, ultraviolet spectra, ultraviolet-visible spectroscopy, Vigna radiata, visible spectra, X-ray diffraction}, issn = {1751-8741}, doi = {10.1049/iet-nbt.2015.0112}, author = {Raju, Dugyala and Mehta, Urmil J. and Beedu, Sashidhar Rao} } @article { ISI:000380072400017, title = {Biogenic terbium oxide nanoparticles as the vanguard against osteosarcoma}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {168}, year = {2016}, month = {NOV}, pages = {123-131}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The synthesis of inner transition metal nanoparticles via an ecofriendly route is quite difficult. This study, for the first time, reports synthesis of terbium oxide nanoparticles using fungus, Fusarium oxysporum. The biocompatible terbium oxide nanoparticles (Tb2O3 NPs) were synthesized by incubating Tb4O7 with the biomass of fungus F. oxysporum. Multiple physical characterization techniques, such as UV-visible and photoluminescence spectroscopy, TEM, SAED, and zeta-potential were used to confirm the synthesis, purity, optical and surface characteristics, crystallinity, size, shape, distribution, and stability of the nanoemulsion of Tb2O3 NPs. The Tb2O3 NPs were found to inhibit the propagation of MG-63 and Saos-2 cell-lines (IC50 value of 0.102 mu g/mL) and remained non-toxic up to a concentration of 0373 gg/mL toward primary osteoblasts. Cell viability decreased in a concentration-dependent manner upon exposure to 10 nmTb(2)O(3) NPs in the concentration range 0.023-0373 mu g/mL Cell toxicity was evaluated by observing changes in cell morphology, cell viability, oxidative stress parameters, and FACS analysis. Morphological examinations of cells revealed cell shrinkage, nuclear condensation, and formation of apoptotic bodies. The level of ROS within the cells an indicator of oxidative stress was significantly increased. The induction of apoptosis at concentrations \<= IC50 was corroborated by 4{\textquoteright},6-diamidino-2-phenylindole dihydrochloride (DAPI) staining (DNA damage and nuclear fragmentation). Flow-cytometric studies indicated that the response was dose dependent with a threshold effect. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Biosynthesis, Cytotoxicity, fusarium oxysporum, Osteosarcoma, Tb2O3 nanoparticles}, issn = {1386-1425}, doi = {10.1016/j.saa.2016.05.053}, author = {Iram, Sana and Khan, Salman and Ansary, Abu Ayoobul and Arshad, Mohd and Siddiqui, Sahabjada and Ahmad, Ejaz and Khan, Rizwan H. and Khan, Mohd Sajid} } @article {45838, title = {Bioinspired eco-friendly synthesis of ZrO2 nanoparticles}, journal = {Journal of Materials and Environmental Science}, volume = {7}, year = {2016}, month = {AUG}, pages = {3068-3075}, type = {Article}, abstract = {Here we report the extracellular biosynthesis of zirconia (ZrO2) nanoparticles under ambient conditions by challenging the fungus Humicola sp. with potassium hexafluorozirconate (K2ZrF6) as a precursor. Transmission electron micrograph (TEM) showed that nanoparticles are quasi-spherical in shape with an average particle size of 13 nm. The structural investigation was done using selected area electron diffraction (SAED) and powder XRD which show that the nanoparticles are perfectly crystalline with an orthorhombic structure. XPS and FTIR analysis explained the presence of proteins on the nanoparticles surfaces.}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-84988430948\&origin=inward\&txGid=25fe3c642542aef24895f8428cb2918b}, author = {Uddin, I. and Ahmad, A.} } @article { ISI:000367601200011, title = {Biological activity of sophorolipids and their possible use as antiviral agents}, journal = {Folia Microbiologica}, volume = {61}, number = {1}, year = {2016}, month = {JAN}, pages = {85-89}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
Sophorolipids are surface active glycolipids consisting of a hydrophilic sophorose unit and a hydrophobic portion composed of a fatty acid tail. Crude sophorolipid sample contains both acidic and lactonic forms of sophorolipid with different degrees of acetylation and varying lengths of the fatty acid chains depending on the substrates used in the production process. Carboxylic end in the acidic form of the fatty acid is free, whereas in the lactonic form, it is internally esterified. Sophorolipids show different physicochemical properties with wide range of applications for each structural compound. Lactonic form of sophorolipids shows surface tension reducing ability and biological activity, whereas the acidic form possesses better foam forming ability and higher solubility. Presence of acetyl groups gives hydrophilic nature to the sophorolipids which promotes its antiviral and cytokine-stimulating properties. The aim of this review is to explore and suggest the plausibility of sophorolipids as therapeutic and prophylactic agents for the treatment of viral diseases.
}, issn = {0015-5632}, doi = {10.1007/s12223-015-0413-z}, author = {Borsanyiova, Maria and Patil, Amrita and Mukherji, Ruchira and Prabhune, Asmita and Bopegamage, Shubhada} } @article { ISI:000378302900033, title = {Biomimetic collective total synthesis of bioactive carbazole alkaloids indizoline, mafaicheenamine A, claulamine A, claulansine A, and the proposed claulamine E}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {12}, year = {2016}, month = {JUN}, pages = {5222-5227}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The common precursor 1-methoxy-2-prenyl-3-carbomethoxycarbazole was synthesized from dimethyl indolylmethylenesuccinate in four steps. Well-planned reductive and/or oxidative transformations and intramolecular cyclizations were performed on a pivotal common precursor to accomplish collective first total synthesis of titled natural products and proposed Claulamine E. Burgess reagent induced formation of kinetically controlled product Claulamine A, and intramolecular cyclizations to form bicyclic claulansine A were the key reactions. An alternatively attempted synthesis failed to provide the structural isomer of proposed Claulamine E.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.6b00702}, author = {Markad, Shivaji B. and N. P. Argade} } @article { ISI:000371117900016, title = {Bioresponsive carbon nano-gated multifunctional mesoporous silica for cancer theranostics}, journal = {Nanoscale}, volume = {8}, number = {8}, year = {2016}, month = {DEC}, pages = {4537-4546}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Designing bioresponsive nanocarriers for controlled and efficient intracellular drug release for cancer therapy is a major thrust area in nanomedicine. With recent recognition by the US FDA as a safe material for human trials, mesoporous silica nanoparticles (MSNPs) are being extensively explored as promising theranostic agents. Green fluorescent carbon quantum dots (CQDs), though known as possible alternatives for their more toxic and relatively less efficient predecessors, are less known as gate keepers for drug release control. We report for the first time an efficient bioresponse of CQDs when judiciously designed using glutathione cleavable (redox responsive) disulphide bonds. When the anticancer drug doxorubicin loaded MSNPs are capped with these CQDs, they display promising drug release control on exposure to a mimicked intracellular cancer environment. Their dual functionality is well established with good control on preventing the premature release and exceptional bio-imaging of HeLa cancer cells. Fluorescence images prove selective targeting of HeLa cells by overexpression of folate receptors from the surface functionalised folic acid ligand. Extensive characterisation using XRD, TEM, BET analysis, drug loading tests, drug release kinetics, MTT assay and fluoroscence cell imaging helps in understanding the multi-functionalities of the successful design, extending its scope with exciting prospects towards non-invasive targeted drug delivery and bio-imaging for effective cancer diagnosis and treatment.
}, issn = {2040-3364}, doi = {10.1039/c5nr06756a}, author = {Prasad, Rajendra and Aiyer, Sandhya and Chauhan, Deepak S. and Srivastava, Rohit and Selvaraj, Kaliaperumal} } @article { ISI:000369937200001, title = {Biosurfactant as a promoter of methane hydrate formation: thermodynamic and kinetic studies}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {FEB}, pages = {20893}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
Natural gas hydrates (NGHs) are solid non-stoichiometric compounds often regarded as a next generation energy source. Successful commercialization of NGH is curtailed by lack of efficient and safe technology for generation, dissociation, storage and transportation. The present work studied the influence of environment compatible biosurfactant on gas hydrate formation. Biosurfactant was produced by Pseudomonas aeruginosa strain A11 and was characterized as rhamnolipids. Purified rhamnolipids reduced the surface tension of water from 72 mN/m to 36 mN/m with Critical Micelle Concentration (CMC) of 70 mg/l. Use of 1000 ppm rhamnolipids solution in C type silica gel bed system increased methane hydrate formation rate by 42.97\% and reduced the induction time of hydrate formation by 22.63\% as compared to water saturated C type silica gel. Presence of rhamnolipids also shifted methane hydrate formation temperature to higher values relative to the system without biosurfactant. Results from thermodynamic and kinetic studies suggest that rhamnolipids can be applied as environment friendly methane hydrate promoter.
}, issn = {2045-2322}, doi = {10.1038/srep20893}, author = {Arora, Amit and Cameotra, Swaranjit Singh and Kumar, Rajnish and Balomajumder, Chandrajit and Singh, Anil Kumar and Santhakumari, B. and Kumar, Pushpendra and Laik, Sukumar} } @article {42555, title = {Biosynthesis of anti-proliferative gold using endophytic fusarium oxysporum strain isolated from neem (A-indica) leaves}, journal = {Current topics in medicinal chemistry}, volume = {16}, year = {2016}, month = {JAN}, pages = {2036-2042}, abstract = {
Here we report a simple, rapid, environment friendly approach for the synthesis of gold nanoparticles using neem (Azadirachta indica A. Juss.) fungal endophyte, which based upon morphological and cultural characteristics was eventually identified as Fusarium oxysporum. The aqueous precursor (HAuCl4) solution when reacted with endophytic fungus resulted in the biosynthesis of abundant amounts of well dispersed gold nanoparticles of 10-40 nm with an average size of 22nm. These biosynthesized gold nanoparticles were then characterized by standard analytical techniques such as UV-Visible spectroscopy, X-ray diffraction, Transmission Electron Microscopy and Fourier Transform Infrared Spectroscopy. Cytotoxic activity of these nanoparticles was checked against three different cell types including breast cancer (ZR-75-1), Daudi (Human Burkitt{\textquoteright}s lymphoma cancer) and normal human peripheral blood mononuclear cells (PBMC), where it was found that our gold nanoparticles are anti-proliferative against cancer cells but completely safe toward normal cells. In addition to this, assessment of toxicity toward human RBC revealed less than 0.1 \% hemolysis as compared to Triton X-100 suggesting safe nature of our biosynthesized gold nanoparticles on human cells. Also, our nanoparticles exhibited no anti-fungal (against Aspergillus niger) or anti-bacterial [against Gram positive (Bacillus subtilis \& Staphylococcus aureus) and Gram negative (Escherichia coli \& Pseudomonas aeruginosa) bacteria] activity thus suggesting their non-toxic, biocompatible nature. The present investigation opens up avenues for eco-friendly, biocompatible nanomaterials to be used in a wide variety of application such as drug delivery, therapeutics, theranostics and so on.
}, doi = {10.2174/1568026616666160215160644}, author = {Siddiqui, Ejaz Ahmad and Ahmad, Absar and Julius, Anju and Syed, Asad and Khan, Shadab and Kharat, Mahesh and Pai, Kalpana and Kadoo, Narendra Y. and Gupta, Vidya} } @article {43634, title = {Biosynthesis of fluorescent Bi2S3 nanoparticles and their application as dual-functionSPECT-CT probe for animal imaging}, journal = {Current Topics In Medicinal Chemistry}, volume = {16}, year = {2016}, month = {OCT}, pages = {2019-2025}, abstract = {Bismuth sulphide (Bi2S3) is an excellent semiconductor and its nanoparticles have numerous significant applications including photovoltaic materials, photodiode arrays, bio-imaging, etc. Nevertheless, these nanoparticles when fabricated by chemical and physical routes tend to easily aggregate in colloidal solutions, are eco-unfriendly, cumbrous and very broad in size distribution. The aim of the present manuscript was to ecologically fabricate water dispersible, safe and stable Bi2S3 nanoparticles such that these may find use in animal imaging, diagnostics, cell labeling and other biomedical applications. Herein, we for the first time have biosynthesized highly fluorescent, natural protein capped Bi2S3 nanoparticles by subjecting the fungus Fusarium oxysporum to bismuth nitrate pentahydrate [Bi(NO3)(3).5H(2)O] alongwith sodium sulphite (Na2SO3) as precursor salts under ambient conditions of temperature, pressure and pH. The nanoparticles were completely characterized using recognized standard techniques. These natural protein capped Bi2S3 nanoparticles are quasi-spherical in shape with an average particle size of 15 nm, maintain long term stability and show semiconductor behavior having blue shift with a band gap of 3.04 eV. Semiconductor nanocrystals are fundamentally much more fluorescent than the toxic fluorescent chemical compounds (fluorophores) which are presently largely employed in imaging, immunohistochemistry, biochemistry, etc. Biologically fabricated fluorescent nanoparticles may replace organic fluorophores and aid in rapid development of biomedical nanotechnology. Thus, biodistribution study of the so-formed Bi2S3 nanoparticles in male Sprague Dawley rats was done by radiolabelling with Technitium-99m (Tc-99m) and clearance time from blood was calculated. The nanoparticles were then employed in SPECT-CT probe for animal imaging where these imparted iodine equivalent contrast.}, doi = {10.2174/1568026616666160215155347}, author = {Uddin, Imran and Ahmad, Absar and Siddiqui, Ejaz Ahmad and Rahaman, Sk. Hasanur and Gambhir, Sanjay} } @article { ISI:000378563200115, title = {Broad spectrum photon responsive, paramagnetic beta-NaGdF4: Yb3+, Er3+ - mesoporous anatase titania nanocomposite}, journal = {RSC Advances}, volume = {6}, number = {58}, year = {2016}, month = {MAY}, pages = {53504-53518}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein, we report a novel single multifunctional platform based on broad-spectrum photoactive beta-NaGdF4:18\% Yb3+, 2\% Er3+ and mesoporous anatase TiO2 for enhanced energy and simultaneous biomedical applications. Currently, the photoactive materials for solar energy harvesting applications have limitations in their efficiency due to their narrow photon absorption spectrum. The upconversion phosphor beta-NaGdF4: 18\% Yb3+, 2\% Er3+ nanorods collect and harvest the NIR photons (similar to 980 nm) of sunlight and transform them into visible light via anti-Stokes emission (lambda(em) similar to 521 and similar to 540 nm), and the photoactive mesoporous anatase TiO2 (mTiO(2)) utilizes UV and weak visible photons, thus the composite forms a broad spectrum photon-capture system and improved power conversion efficiency for enhanced applications in photocatalysis, and dye sensitized solar cells (DSSCs). The photocatalytic activity of the nanocomposite showed an improvement in comparison to the mTiO(2) for the degradation of various dyes. In addition, the photocurrent density and solar cell efficiency of the nanocomposites showed an improvement by similar to 24\% and similar to 17\% respectively, over mTiO(2). The beta-NaGdF4: Yb3+, Er3+/mTiO(2) nanocomposite exhibits a strong paramagnetic signal (chi similar to 6.45 x 10(-5) emu g(-1) Oe(-1)). The nuclear magnetic resonance (NMR) measurements showed large longitudinal T1 relaxivity (r(1) = 7.09 s(-1) mM(-1)) and magnetic resonance imaging showed enhanced T-1-weighted MRI images with increased concentrations of beta-NaGdF4: Yb3+, Er3+/mTiO(2) nanocomposite making them suitable for simultaneous magnetoresonance imaging. In addition, this composite system can also be used as a NIR triggered drug delivery system and in biomedical applications. Moreover, mesoporous TiO2 is expected to increase the photocatalytic active sites, dye, and absorption, and drug loading capacity. The as-designed multifunctional beta-NaGdF4:Yb3+, Er3+/mTiO(2) nanocomposite possessed simultaneous multiple discrete functionalities with excellent luminescence properties, intrinsic paramagnetism, biocompatibility, improved photocatalytic activity, and solar cell efficiency. This work provides a promising system to utilize NIR light, which will contribute to efficient photon harvesting and biological applications.
}, issn = {2046-2069}, doi = {10.1039/c6ra06813h}, author = {Padhye, Preeti and Sadhu, Subha and Malik, Monika and Poddar, Pankaj} } @article {42668, title = {Bromide ion mediated modification to digestive ripening process: preparation of ultra-small Pd, Pt, Rh and Ru nanoparticles}, journal = {Nano Research}, volume = {9}, year = {2016}, month = {MAY}, pages = {2007{\textendash}2017}, abstract = {
Nanoparticles of catalytically important transition metals, such as Pd, Pt, Rh, and Ru have been prepared by the well-known {\textquotedblleft}digestive ripening{\textquotedblright} (DR) and {\textquotedblleft}modified digestive ripening{\textquotedblright} (mDR) methods. In the traditional DR process, a polydisperse colloidal dispersion is refluxed in the presence of a surface-active molecule, such as alkanethiol. The mDR method involved a small modification in the procedure, wherein refluxing was performed with an alkanethiol and a tetra-alkylammonium bromide surfactant. This minor modification led to a dramatic change in the final particle size distributions, giving access to nanoparticles in the \<3 nm size regime; this was not possible with the traditional DR process. Bromide ions, which are present during refluxing, proved to be an important ingredient in the modification process. These bromide ions are revealed to act as etchants, resulting in ultra-small nanoparticles. All transition metal nanoparticles investigated displayed catalytic activity in the reduction reaction of p-nitro phenol. Pd nanoparticles, synthesized by a modified digestive ripening method, exhibited the best catalytic activity among the systems investigated.
}, doi = {10.1007/s12274-016-1091-0}, author = {Seth, Jhumur and Bhagavatula L. V. Prasad} } @article { ISI:000380138100025, title = {Bronsted-acid-mediated divergent reactions of betti bases with indoles: an approach to chromeno[2,3-b]indoles through intramolecular dehydrogenative C2-alkoxylation of indole}, journal = {European Journal of Organic Chemistry}, number = {20}, year = {2016}, month = {JUL}, pages = {3441-3448}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Divergent reactions of various 1-(aminoalkyl) naphthols and 2-(aminoalkyl) phenols (commonly known as Betti bases) with indoles under Bronsted acid catalysis is reported. With the reaction strategies, one can efficiently synthesize important indole derivatives such as 3-(alpha,alpha-diarylmethyl)indoles and chromeno[2,3-b]indoles. Furthermore, we disclose here a new C-C bond-cleavage reaction, in which naphthol and phenol behave as leaving groups to produce diarylmethanes. Inexpensive reagents such as p-toluenesulfonic acid monohydrate and molecular iodine are used to catalyze the reactions. No metal catalyst is required. The starting material of the reactions, Betti bases, are easily prepared from a three-component reaction of naphthol/phenol, aldehydes, and secondary amines. The mechanisms for the reactions are established through some control experiments. Quinone methide is the key intermediate for all the reactions reported herein.
}, keywords = {Betti bases, C-O bond formation, Dearylation, Fused-ring systems, nitrogen heterocycles}, issn = {1434-193X}, doi = {10.1002/ejoc.201600546}, author = {Deb, Mohit L. and Pegu, Choitanya Dev and Deka, Bhaskar and Dutta, Prantu and Kotmale, Amol S. and Baruah, Pranjal K.} } @article {43407, title = {Budding trends in integrated pest management using advanced micro- and nano-materials: challenges and perspectives}, journal = {Journal of Environmental Management}, volume = {184}, year = {2016}, month = {DEC}, pages = {157-169}, abstract = {One of the most vital supports to sustain human life on the planet earth is the agriculture system that has been constantly challenged in terms of yield. Crop losses due to insect pest attack even after excessive use of chemical pesticides, are major concerns for humanity and environment protection. By the virtue of unique properties possessed by micro and nano-structures, their implementation in Agri-biotechnology is largely anticipated. Hence, traditional pest management strategies are now forestalling the potential of micro and nanotechnology as an effective and viable approach to alleviate problems pertaining to pest control. These technological innovations hold promise to contribute enhanced productivity by providing novel agrochemical agents and delivery systems. Application of these systems engages to achieve: i) control release of agrochemicals, ii) site-targeted delivery of active ingredients to manage specific pests, iii) reduced pesticide use, iv) detection of chemical residues, v) pesticide degradation, vi) nucleic acid delivery and vii) to mitigate post-harvest damage. Applications of micro and nano-technology are still marginal owing to the perception of low economic returns, stringent regulatory issues involving safety assessment and public awareness over their uses. In this review, we highlight the potential application of micro and nano-materials with a major focus on effective pest management strategies including safe handling of pesticides. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.jenvman.2016.09.071}, author = {Khandelwal, Neha and Barbole, Ranjit S. and Banerjee, Shashwat S. and Chate, Govind P. and Biradar, Ankush V. and Khandare, Jayant J. and Giri, Ashok P.} } @article {43410, title = {Building and analysis of protein-protein interactions related to diabetes mellitus using support vector machine, biomedical text mining and network analysis}, journal = {Computational Biology and Chemistry}, volume = {65}, year = {2016}, month = {DEC}, pages = {37-44}, abstract = {In order to understand the molecular mechanism underlying any disease, knowledge about the interacting proteins in the disease pathway is essential. The number of revealed protein-protein interactions (PPI) is still very limited compared to the available protein sequences of different organisms. Experiment based high-throughput technologies though provide some data about these interactions, those are often fairly noisy. Computational techniques for predicting protein protein interactions therefore assume significance. 1296 binary fingerprints that encode a combination of structural and geometric properties were developed using the crystallographic data of 15,000 protein complexes in the pdb server. In a case study, these fingerprints were created for proteins implicated in the Type 2 diabetes mellitus disease. The fingerprints were input into a SVM based model for discriminating disease proteins from non disease proteins yielding a classification accuracy of 78.2\% (AUC value of 0.78) on an external data set composed of proteins retrieved via text mining of diabetes related literature. A PPI network was constructed and analysed to explore new disease targets. The integrated approach exemplified here has a potential for identifying disease related proteins, functional annotation and other proteomics studies. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.compbiolchem.2016.09.011}, author = {Vyas, Renu and Bapat, Sanket and Jain, Esha and Karthikeyan, Muthukumarasamy and Tambe, Sanjeev and Kulkarni, Bhaskar D.} } @article {43584, title = {Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework}, journal = {Journal of Chemical Sciences}, volume = {128}, year = {2016}, month = {OCT}, pages = {1671-1675}, abstract = {The Z-vector method in the relativistic coupled-cluster framework is employed to calculate the parallel and perpendicular components of the magnetic hyperfine structure constant of a few small alkaline earth hydrides (BeH, MgH, and CaH) and fluorides (MgF and CaF). We have compared our Z-vector results with the values calculated by the extended coupled-cluster (ECC) method reported in Phys. Rev. A 91 022512 (2015). All these results are compared with the available experimental values. The Z-vector results are found to be in better agreement with the experimental values than those of the ECC values.}, doi = {10.1007/s12039-016-1174-1}, author = {Sasmal, Sudip and Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {42556, title = {Can a diels-alder reaction accelerate in a supersaturated solvent at room temperature?}, journal = {New Journal of Chemistry}, volume = {40}, year = {2016}, month = {AUG}, pages = {8355-8363}, abstract = {
A new supersaturated solvent is proposed to accelerate the Diels{\textendash}Alder reaction between cyclopentadiene and methyl acrylate by several times. The proposed supersaturated solvent consists of various carbohydrates, organic acid and organic ketone in water, beyond their solubility limits in water, at room temperature. The results demonstrate that the presence of excess {\textendash}OH groups from the carbohydrates plays a pivotal role leading to the increased reactivity and selectivity of the Diels{\textendash}Alder reaction. The role of hydrogen bond accelerators and polarity of the solvent have been analyzed through a comparative study of the same reaction in similar green solvents. Collision-controlled reaction theory has been invoked to understand the role of encounter complexes to accelerate such a reaction at the molecular level in such highly viscous supersaturated solvent. No detrimental effects from the high viscosity of the new solvent medium on the reaction kinetics was been noted.
}, doi = {10.1039/C6NJ01912A}, author = {Nagare, Amit S. and Manna, Arpan and Kumar, Anil} } @article { ISI:000373630800014, title = {Can main group systems act as superior catalysts for dihydrogen generation reactions? A computational investigation}, journal = {Dalton Transactions}, volume = {45}, number = {14}, year = {2016}, month = {JUN}, pages = {5968-5977}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The protolytic cleavage of the O-H bond in water and alcohols is a very important reaction, and an important method for producing dihydrogen. Full quantum chemical studies with density functional theory (DFT) reveal that germanium based complexes, such as HC{CMeArB}(2)GeH (Ar = 2,6-(Pr2C6H3)-Pr-i), with the assistance of silicon based compounds such as SiF3H, can perform significantly better than the existing state-of-the-art post-transition metal based systems for catalyzing dihydrogen generation from water and alcohols through the protolysis reaction.
}, issn = {1477-9226}, doi = {10.1039/c5dt01058f}, author = {Kuriakose, Nishamol and Vanka, Kumar} } @article {45839, title = {Capsicum annuum proteinase inhibitor ingestion negatively impacts the growth of sorghum pest Chilo partellus and promotes differential protease expression}, journal = {Biochemistry and Biophysics Reports}, volume = {78}, year = {2016}, month = {DEC}, pages = {302-309}, type = {Article}, abstract = {Background Chilo partellus is an important insect pest infesting sorghum and maize. The larvae internalize in the stem, rendering difficulties in pest management. We investigated the effects of Capsicum annuum proteinase inhibitors (CanPIs) on C. partellus larvae by in-vitro and in-vivo experiments. Methods Recombinant CanPI-7 (with four-Inhibitory Repeat Domains, IRDs), -22 (two-IRDs) and insect proteinase activities were estimated by proteinase assays, dot blot assays and in gel activity assays. Feeding bioassays of lab reared C. partellus with CanPI-7 and -22 were performed. C. partellus proteinase gene expression was done by RT-PCR. In-silico structure prediction of proteinases and CanPI IRDs was carried out, their validation and molecular docking was done for estimating the interaction strength. Results Larval proteinases of C. partellus showed higher activity at alkaline pH and expressed few proteinase isoforms. Both CanPIs showed strong inhibition of C. partellus larval proteinases. Feeding bioassays of C. partellus with CanPIs revealed a dose dependent retardation of larval growth, reduction of pupal mass and fecundity, while larval and pupal periods increased significantly. Ingestion of CanPIs resulted in differential up-regulation of C. partellus proteinase isoforms, which were sensitive to CanPI-7 but were insensitive to CanPI-22. In-silico interaction studies indicated the strong interaction of IRD-9 (of CanPI-22) with Chilo proteinases tested. Conclusions Of the two PIs tested, CanPI-7 prevents induction of inhibitor insensitive proteinases in C. partellus so it can be explored for developing C. partellus tolerance in sorghum. General significance Ingestion of CanPIs, effectively retards C. partellus growth; while differentially regulating the proteinases.}, doi = {10.1016/j.bbrep.2016.09.016}, author = {Jadhav, A. R. and War, A. R. and Nikam, A. N. and Adhav, A. S. and Gupta, V. S. and Sharma, H. C. and Giri, A. P. and Tamhane, V.A.} } @inbook {45840, title = {Carbonylations and hydroformylations for fine chemicals}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = { 663-692}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {Carbonylation reactions (hydroformylation and carbonylation) constitute one of the most powerful tools for C. C bond formation in organic synthesis and represent an outstanding example of the application of homogeneous catalysis on an industrial scale. Carbonylation reactions have the potential to provide clean, atom-efficient routes for the synthesis of molecules with carboxylic acid, aldehyde and amide functional groups. However, catalyst product separation is a major problem for the application of homogeneous catalysts on an industrial scale. The manufacture of ibuprofen, one of the important antiinflammatory drugs involving palladium-catalyzed carbonylation, was the path-breaking technology in pharmaceutical chemistry. A significant amount of work is being carried out on the development of selective catalysts for specialty chemical synthesis. This chapter presents recent advances in the development of new catalysts for carbonylation reactions. Various strategies developed for the heterogenization of catalysts are also presented, with an emphasis on specialty chemicals.}, doi = {10.1016/B978-0-12-801457-8.00014-8}, author = {Kelkar, A. A.} } @article {43603, title = {Cascade synthesis of 2-cyanoacrylamides through deacetalization and/or knoevenagelcondensation followed by selective monohydration of acetals and aldehydes over solid acidferrites}, journal = {Chemcatchem}, volume = {8}, year = {2016}, month = {AUG}, pages = {2678-2687}, abstract = {A new protocol of cascade synthesis for biologically active 2-cyanoacrylamides (1) was developed. The reaction proceeds over a novel magnetically retrievable solid-acid composite of iron oxide, poly(vinylpyrrolidone) and phosphotungstic acid (Fe3O4/PVP-PWA) in AcOH-H2O medium under reflux conditions. This transformation is facilitated through single-site Bronsted acid catalyzed cascade reactions involving deacetalization and/or Knoevenagel condensation followed by selective monohydration of nitriles starting from acetals (5) and aldehydes (2) with malononitrile (3). A series of aldehydes, dimethyl and diethyl acetals, along with some heterocyclic aldehydes were successfully transformed to 2-cyanoacrylamides with >95\% yields. TEM images confirmed the coating of the PVP over nanosized Fe3O4. Stereoselective monohydration of 2-benzylidenemalononitriles (4) to E isomers was demonstrated by NOESY experiments. The catalyst could be efficiently recycled seven times on employment of both acetals and aldehydes as substrates, as a result of its magnetic nature.}, doi = {10.1002/cctc.201600426}, author = {Kamble, Sumit B. and Rode, Chandrashekhar V.} } @inbook {45841, title = {Catalysis and catalytic processes}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {1-14}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {Catalytic reactions are ubiquitous in chemical and allied industries. A homogeneous or heterogeneous catalyst that provides an alternative route of reaction with lower activation energy and better control of selectivity can make a substantial impact on process viability and economics. In this chapter, the basics of catalysis and catalytic processes are introduced. Some aspects of reaction and reactor engineering required to realize catalytic processes in practice are also discussed. In addition, the organization of the book is outlined. }, doi = {10.1016/B978-0-12-801457-8.00001-X}, author = {Ranade, V. V. and Joshi, S. S.} } @inbook {45842, title = {Catalysis for fine and specialty chemicals}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {317-392}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {The fine and specialty chemical industry is extremely diverse, encompassing pharmaceuticals, dyestuffs, food additives, agrochemicals, polymer additives, flavors and fragrances, various chemical intermediates, etc. Fine and specialty chemicals have been around for more than 100 years and they are produced with the aim of either being used as is or in the form of additives/formulations. These organic chemicals are generally manufactured in batch or semibatch processes. Most of these generally involve multistep processes and often generate significant by-products/effluents per kg of useful products. Catalysis can be effectively used to reduce such waste generation and to minimize consumption of raw materials. In this chapter, we present various applications of homogeneous, as well as heterogeneous catalysis and catalytic processes, which are particularly relevant to fine and specialty chemicals}, doi = {10.1016/B978-0-12-801457-8.00008-2}, author = {Joshi, S. S. and Bhatnagar, A. and Ranade, V. V.} } @inbook {45843, title = {Catalyst deactivation and regeneration}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {187-219}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {
Catalysis plays a vital role in the manufacture of fuels, industrial chemicals, fine chemicals, and specialty chemicals. A catalyst is not only expected to be highly active, it should be stable for long hours on stream and should be recyclable, if required. However, in reality, all the catalysts have finite life. Hence, a most important goal of any catalyst development is to get a catalyst that is highly active for long periods without needing any regeneration. This chapter addresses various causes of catalyst deactivation with reference to different catalyst systems. It discusses various forms coke (carbon) forms on catalysts and the side reactions that drive their formation. The role of support on carbon formation as well as how carbon can be limited using bimetallic catalysts is discussed. Various mechanisms responsible for sintering of metals have been discussed while suggesting means to suppress the same. This chapter also discusses loss of catalyst activity due to strong chemisorption of impurities or byproducts. Typical poisons to different catalysts are listed. The effect of various poisons and how they can influence the course of a catalytic reaction are described. A catalyst may also lose its activity due to mechanical failures such as (i) crushing of catalyst pellets or granules, (ii) breakup of catalyst pellets followed by its attrition, and (iii) erosion of catalyst particles or monolith wash coats. Various solutions to prevent or delay catalyst deactivation as well as various catalyst regeneration methods are summarized.
}, doi = {10.1016/B978-0-12-801457-8.00005-7}, author = {Satyanarayana, C. V. and Srikant, D. and Gurav, H. R.} } @article { ISI:000369545400100, title = {Catalytic activity of bare and porous palladium nanostructures in the reduction of 4-nitrophenol}, journal = {RSC Advances}, volume = {6}, number = {14}, year = {2016}, month = {JAN}, pages = {11911-11920}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The catalytic activity of bare and porous palladium nanostructures viz. palladium nanoballs (PdNBs) and palladium urchins (Pdurc) synthesized in surfactant based liquid crystalline mesophase have been investigated in the reduction of 4-nitrophenol. The loading of PdNBs and Pdurc nanocatalyst in the reaction are optimized to 1.57 x 10(-4) mol\% and 1.57 x 10(-3) mol\% respectively. The surface area normalized rate constant obtained at 303 K for PdNBs (0.74 +/- 0.03) s(-1) m(-2) L and Pdurc (0.41 +/- 0.05) s(-1) m(-2) L is the highest, considering the low palladium loading used in the reaction. The specific surface area determined for the PdNBs and Pdurc are 153 m(2) g(-1) and 27 m(2) g(-1) respectively. The high surface area of PdNBs nanostructure is consistent with the highest catalytic activity. The palladium nanostructure catalyzed reaction lacks induction time (t(0)), indicating the influence of porosity in the Langmuir-Hinshelwood mechanism. Besides, PdNBs and Pdurc exhibited thermal stability and structural integrity with good conversion of the substrate (\>97\%) even up to five consecutive reactions. The mechanistic insight of the bare and porous palladium nanostructures presented in this study is significant for the development of stable and efficient palladium metal based nanocatalyst.
}, issn = {2046-2069}, doi = {10.1039/c5ra23138h}, author = {Kalekar, Ajit M. and Sharma, Kiran Kumar K. and Luwang, Meitram Niraj and Sharma, Geeta K.} } @article { ISI:000374626200017, title = {Catalytic decarboxylation of non-edible oils over three-dimensional, mesoporous silica-supported Pd}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {417}, year = {2016}, month = {JUN}, pages = {126-134}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Deoxygenation of fatty acids (oleic and stearic acids) and non-edible oil (jatropha oil) over Pd(1-5 wt\%) supported on two structurally different, three-dimensional, mesoporous silica (SBA-12 and SBA-16) catalysts was investigated. Pd/SBA-16 (cubic mesoporous structure with space group Im (3) over barm) showed higher catalytic activity than Pd/SBA-12 (hexagonal mesoporous structure with space group p6(3)/mmc). The influence of reaction parameters like temperature, H-2 pressure and Pd content as well as the nature of the feedstock on catalytic activity and product selectivity was studied. A temperature of above 320 degrees C, reaction time of 5 h and Pd content (on silica surface) of 3 wt\% enabled complete conversion of the fatty compounds into diesel-range hydrocarbons. Deoxygenation proceeded through hydrodeoxygenation and decarboxylation mechanisms when a saturated (stearic) acid was used as a feed while it advanced mainly through decarboxylation route when an unsaturated (oleic) acid was employed. Higher surface hydrophobicity and smaller size particles of Pd are the possible causes for the superior catalytic activity of Pd/SBA-16. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Biofuel, Deoxygenation, Diesel-range hydrocarbons, Mesoporous silica, Supported palladium, Vegetable oil}, issn = {1381-1169}, doi = {10.1016/j.molcata.2016.03.023}, author = {Raut, Ravindra and Banakar, Vikram V. and Darbha, Srinivas} } @inbook {45844, title = {Catalytic reaction engineering}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {263-314}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {hemical reaction engineering has contributed remarkably in bringing laboratory-developed chemistry into commercial practice. Reaction engineering is useful for analysis of reactions, identifying rate-limiting steps, determining overall rates, selection of reactor configuration and design and scale-up of reactors. Reaction engineering also provides useful insights into catalytic cycles and provides clues for improving catalyst systems. It essentially includes all the activities necessary to evolve best possible hardware and operating protocol for the reactor to carry out the desired transformation of raw materials (or reactants) into value-added products. This chapter provides an overview of reaction engineering aspects of catalytic processes.}, doi = {10.1016/B978-0-12-801457-8.00007-0}, author = {Gunjal, P. R. and Ranade, V. V.} } @article { ISI:000378725800123, title = {Catecholase and phenoxazinone synthase activities of a ferromagnetically coupled tetranuclear Cu(II) complex}, journal = {RSC Advances}, volume = {6}, number = {63}, year = {2016}, month = {JUN}, pages = {58831-58838}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A crystallographically characterized tetranuclear Cu(II) complex [Cu-4(II)(L)(4)] (1) [H2L = N-(2-hydroxyethyl)-3-methoxysalicylaldimine] is found to show overall ferromagnetic exchange coupling. Complex (1) mimics the catalytic activity of the plant enzyme catechol oxidase by oxidising 3,5-di-tert-butylcatechol to its corresponding quinone in methanol and dichloromethane medium in the presence of aerial oxygen. The reaction follows Michaelis-Menten enzymatic reaction kinetics with turnover numbers (K-cat) 6.99 x 10(3) and 1.85 x 10(3) h(-1) in methanol and dichloromethane, respectively. 1 is also phenoxazinone synthase active in methanol medium with a turnover number of 1.21 x 10(5) h(-1).
}, issn = {2046-2069}, doi = {10.1039/c6ra11433d}, author = {Mitra, Merry and Kundu, Tanay and Kaur, Gurpreet and Sharma, Gyaneswar and Choudhury, Angshuman Roy and Singh, Yogesh and Ghosh, Rajarshi} } @article {43373, title = {CeCl3 center dot 7H(2)O-NaI promoted regioselective sulfenylation of indoles with sulfonylhydrazides}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {JAN}, pages = {81-85}, abstract = {A simple and highly efficient method has been developed for the regioselective sulfenylation of a wide variety of indoles with alkyl and aryl sulfonylhydrazides as a sulphur source and CeCl3 center dot 7H(2)O-Nal as an inexpensive and readily available reagent system. This method involves the breaking of sulfur-oxygen and sulfur-nitrogen bonds and making of carbon-sulfur bond. The method provides high yields of the products with enhanced regioselectivity. We studied the reactivity of various electron rich and electron deficient indoles towards the sulfe-nylation reaction. The indoles containing electron donating group reacts fast towards the sulfenylation reaction as compared to the indoles containing electron withdrawing groups. More over functional groups like alkoxy, aryloxy, bromo, nitro, cyano, ester, were well tolerated under the established reaction conditions. We also proposed a plausible mechanism for this transformation. The experimental simplicity and environmentally benign nature of the reagent system makes this method an attractive alternative to established methods.}, doi = {10.1002/slct.201500014}, author = {Nookaraju, U. and Begari, Eeshwaraiah and Yetra, Ravikiran Reddy and Kumar, Pradeep} } @inbook {43007, title = {Cells and organs on chip - revolutionary platform for biomedicine}, booktitle = {Lab-on-a-chip fabrication and application}, year = {2016}, publisher = {Intech}, organization = {Intech}, chapter = {5}, address = {Croatia}, author = {Joshi, Preeti Nigam} } @article {45845, title = {Cetyl alcohol and oleic acid sophorolipids exhibit anticancer activity}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {8}, year = {2016}, month = {FEB}, pages = {399-402}, type = {Article}, abstract = {Objective: Sophorolipids (SLs) are glycolipid biosurfactants that have been shown to have anticancer activity. We investigated the anti-cancer activity of cetyl alcohol sophorolipids (CAS) and oleic acid sophorolipids (OAS) in breast cancer (MCF-7, MDA-MB-231), cervical cancer (SiHa, HeLa) and non-cancerous (HaCaT and RAW264.7) cell lines. Methods: For cell viability assay, MCF-7, MDA-MB-231, SiHa, HeLa, HaCaT and RAW264.7 cell lines were treated with different concentrations (0-160 μg/ml) of OAS and CAS for 24h. The cell viability was determined by MTT dye uptake method. Cell proliferation assay was determined by using trypan blue dye exclusion method. Results: Our preliminary data shows that compared to OAS, CAS exhibited more significant reduction in the viability of MCF-7, MDA-MB-231 and SiHa. However, compared to CAS, OAS induced more decrease in viability in HeLa cells. Interestingly, both the types of SLs did not affect the viability of non-cancerous cells. Moreover, CAS, when used as a coating material, induced proliferation in macrophage cell line, RAW264.7. Conclusion: The present study provides an important clue towards the anti-cancer potential of OAS and CAS derived from Candida bombicola. Interestingly, the ability of CAS to promote the proliferation of non-cancerous cells suggests its future application as a scaffold for enhancing the adhesion and proliferation of normal cells.}, url = {https://www.scopus.com/inward/record.url?eid=2-s2.0-84959564023\&partnerID=40\&md5=54a0f06b61b63c66744a7580e4e091d6}, author = {Dubey, P. and Raina, P. and Prabhune, A. and Kaul-Ghanekar, R.} } @article {42828, title = {C-H activation of methane to formaldehyde on Ce1-xZrxO2 thin films: a step to bridge the material gap}, journal = {ChemCatChem}, volume = {8}, year = {2016}, month = {DEC}, pages = {3650{\textendash}3656}, type = {Article}, abstract = {
Ce1-xZrxO2 (CZ) thin films were prepared by a combination of sol{\textendash}gel and spin-coating methods and were evaluated for the C-H activation of methane by using a molecular beam set-up with the aim to bridge the material gap. The C-H activation of methane begins at 950 K, and a Ce-rich CZ composition displays a high selectivity (4{\textendash}12 \%) to the partially oxidised product, formaldehyde. A 10{\textendash}12 \% selectivity towards HCHO with 1.6 \% methane conversion was observed with methane-rich CH4/O2 reactant compositions at 1050 K. Short contact times, prevalent under molecular beam conditions, could be a possible reason for HCHO formation. Although combustion products were observed instantly upon shining the mixture of reactants on CZ surfaces, up to 20 s delay was observed before formaldehyde generation, which indicates that the oxygen vacancy migration contributes to the rate-determining step and the diffusion-controlled nature of the reaction. A burst in HCHO generation at the point of molecular beam opening, after beam-closed conditions, suggests that the diffusion of oxygen vacancies to the surface is the reason for HCHO formation. Kinetics results also indicate the necessity of reduction sites for HCHO generation.
}, doi = {10.1002/cctc.201600670}, author = {Dubey, Anjani and Kolekar, Sadhu K. and Gopinath, Chinnakonda S.} } @article {42856, title = {C-H activation of methane to syngas on MnxCe1-x-yZryO2 - a molecular beam study}, journal = {Chemcatchem}, volume = {8}, year = {2016}, month = {JUL}, pages = {2296-2306}, type = {Article}, abstract = {
Mn-doped ceria zirconia thin films (MnxCe1-x-yZryO2, MCZ) were employed as flat model catalyst surfaces for CH4 activation. MCZ films exhibit characteristics of single crystal and powder materials, such as smooth surfaces and porosity. From molecular-beam studies, it has been identified that the oxygen storage capacity increases with Mn content. Mutually exclusive observation of H2O or a mixture of products (CO2+ CO + H-2) occurs, when the reactants was allowed to react directly on MCZ, underscoring their formation or prevention (and consumption), respectively. The results suggest that there is competition and cooperation among different elementary reactions under complementary conditions. From a significant partial oxidation of CH4 through C-H activation, it is found that formation of syngas begins at 700 K and the reaction rate increases with increasing temperature. Kinetic evidences indicate that the reaction proceeds through a combustion-reformation pathway.
}, doi = {10.1002/cctc.201600365}, author = {Dubey, Anjani and Kolekar, Sadhu K. and Gopinath, Chinnakonda S.} } @article {43429, title = {CH3NH3Pb(BF4)(3) and (C4H9NH3)2Pb(BF4)(4) family of 3D and 2D perovskites without and with iodide and bromide ions substitution}, journal = {Journal of Physical Chemistry Letters}, volume = {7}, year = {2016}, month = {NOV}, pages = {4757-4762}, abstract = {We report the synthesis of fully molecular ion (BF4 )-based organicinorganic hybrid perovskite CH3NH3Pb(BF4)(3), which is a wide band gap semiconductor, and the same can be easily tuned toward the visible by the incorporation of bromide or iodide ions in the crystal framework simply by changing lead precursors. We have also successfully transformed the distorted 3D molecular-ion-induced perovskite to 2D (C4H9NH3)(2)Pb(BF4)(4), (C4H9NH3)(2)PbBr(4x)(BF4)(x), and (C4H9NH3)(2)PbI(4x)(BF4)(x) perovskites that exhibit the optical absorption over the UV to visible region. The thin films of molecular-ion-containing 2D perovskites with Br and I anions show blue and green luminescence, respectively, under UV illumination.}, doi = {10.1021/acs.jpclett.6b02121}, author = {Nagane, Satyawan and Ogale, Satishchandra B.} } @article { ISI:000372169700020, title = {Characteristics of precipitation pattern in the Arabian Peninsula and its variability associated with ENSO}, journal = {Arabian Journal of Geosciences}, volume = {9}, number = {3}, year = {2016}, month = {MAR}, pages = {186}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
A detailed analysis of the precipitation pattern of the Arabian Peninsula and its temporal and spatial variability were investigated in connection with ENSO. Also, the variability of precipitable water and circulation characteristics was examined for a better understanding. The study was carried out utilizing TRMM rainfall, NOAA OLR, precipitable water, wind, and humidity data sets. It is evident that Northern Arabian Peninsula receives high amount of rainfall mainly during winter and early summer (November to April) in connection with the passage of mid tropospheric westerly troughs and Mediterranean low-pressure systems. But the precipitation pattern over the Southern Arabian Peninsula reveals that it is mainly during summer (May to October) due to the Arabian Sea branch of monsoon and moisture laden cross equatorial LLJ flow. Further, analysis was carried out to assess the influence of ENSO on the precipitation pattern. Thorough analysis was carried out on the circulation pattern using velocity potential in the lower troposphere to understand the features of variability on Hadley/Walker circulation in relation with organized convection. El Nino and La Nina have profound influence on the rainfall pattern in a different manner in the Northern and Southern Arabian Peninsula. Large-scale circulation pattern as derived from velocity potential indicates that shifting of the rising/sinking limb of Hadley/Walker circulation associated with the ENSO causes variability in precipitation.
}, keywords = {Arid region, Circulation, El Nino and La Nina, Precipitation pattern}, issn = {1866-7511}, doi = {10.1007/s12517-015-2265-x}, author = {Babu, C. A. and Jayakrishnan, P. R. and Varikoden, Hamza} } @article {43583, title = {Characterization and valorization of biomass ashes}, journal = {Environmental Science and Pollution Research}, volume = {23}, year = {2016}, month = {OCT}, pages = {20243-20256}, abstract = {In India, farming is the primary source of income for many families. Following each harvest, a huge amount of biomass is generated. These are generally discarded as "agrowaste," but recent reports have indicated several beneficial uses for these biomasses and their ashes. However, before the utilization of biomass ashes (BMAs), their chemical and physical properties need to be investigated (characterized) so as to utilize their potential benefit to the fullest. In this paper, eight different biomass ashes (soybean plant ash, mustard plant ash, maize ash, groundnut plant ash, cotton plant ash, wheat plant ash, pigeon peas ash, and groundnut shell ash) were characterized, and their chemical properties are discussed. Surface chemical composition analysis, proximate analysis, and ultimate analysis were performed on all BMA samples, and properties such as porosity, particle density, bulk density, point of zero charge, BET surface area, water-absorption capacity, and bulk parameters such as surface pH and surface charges were determined. BMAs were characterized by SEM and FTIR. The surface areas of biomass ashes vary from 1.9 to 46 m(2)/g, and point of zero charge for all BMAs exceed 9.8, which confirmed the alkaline nature of these samples. Based on the chemical composition, BMAs are categorized into four types (S, C, K, and CK), and their utilization is proposed based on the type. BMAs find applications in agriculture and construction industries; glass, rubber, and zeolite manufacturing; and in adsorption (as a source of silica/zeolites). The paper also discusses the research challenges and opportunities in utilization of BMAs. }, doi = {10.1007/s11356-016-7227-7}, author = {Trivedi, Nikhilesh S. and Mandavgane, Sachin A. and Mehetre, Sayaji and Kulkarni, Bhaskar D.} } @article {43431, title = {Characterization of roseomonas and nocardioides spp. for arsenic transformation}, journal = {Journal of Hazardous Materials}, volume = {318}, year = {2016}, month = {NOV}, pages = {742-750}, abstract = {The metalloid arsenic predominantly exists in the arsenite [As(III)] and arsenate [As(V)]. These two forms are respectively oxidized and reduced by microbial redox processes. This study was designed to bioprospect arsenic tolerating bacteria from Lonar lake and to characterize their arsenic redoxing ability. Screening of sixty-nine bacterial species isolated from Lonar lake led to identification of three arsenic oxidizing and seven arsenic-reducing species. Arsenite oxidizing isolate Roseomonas sp. L-159a being closely related to Roseomonas cervicalis ATCC 49957 oxidized 2 mM As(III) in 60 h. Gene expression of large and small subunits of arsenite oxidase respectively showed 15- and 17-fold higher expression. Another isolate Nocardioides sp. L-37a formed a clade with Nocardioides ghangwensis JC2055, exhibited normal growth with different carbon sources and pH ranges. It reduced 2 mM As(V) in 36 h and showed constitutive expression of arsenate reductase which increased over 4-fold upon As(V) exposure. Genetic markers related to arsenic transformation were identified and characterized from the two isolates. Moderate resistance against the arsenicals was exhibited by the two isolates in the range of 1-5 mM for As(III) and 1-200 mM for As(V). Altogether we provide multiple evidences to indicate that Roseomonas sp. and Nocardioides sp. exhibited arsenic transformation ability. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jhazmat.2016.07.062}, author = {Bagade, Aditi V. and Bachate, Sachin P. and Dholakia, Bhushan B. and Giri, Ashok P. and Kodam, Kisan M.} } @article { ISI:000378450800001, title = {Characterization of two coleopteran alpha-amylases and molecular insights into their differential inhibition by synthetic alpha-amylase inhibitor, acarbose}, journal = {Insect Biochemistry and Molecular Biology}, volume = {74}, year = {2016}, month = {JUL}, pages = {1-11}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Post-harvest insect infestation of stored grains makes them unfit for human consumption and leads to severe economic loss. Here, we report functional and structural characterization of two coleopteran alpha-amylases viz. Callosobruchus chinensis alpha-amylase (CcAmy) and Tribolium castaneum alpha-amylase (TcAmy) along with their interactions with proteinaceous and non-proteinaceous alpha-amylase inhibitors. Secondary structural alignment of CcAmy and TcAmy with other coleopteran alpha-amylases revealed conserved motifs, active sites, di-sulfide bonds and two point mutations at spatially conserved substrate or inhibitor binding sites. Homology modeling and molecular docking showed structural differences between these two enzymes. Both the enzymes had similar optimum pH values but differed in their optimum temperature. Overall, pattern of enzyme stabilities were similar under various temperature and pH conditions. Further, CcAmy and TcAmy differed in their substrate affinity and catalytic efficiency towards starch and amylopectin. HPLC analysis detected common amylolytic products like maltose and maltotriose while glucose and malto-tetrose were unique in CcAmy and TcAmy catalyzed reactions respectively. At very low concentrations, wheat alpha-amylase inhibitor was found to be superior over the acarbose as far as complete inhibition of amylolytic activities of CcAmy and TcAmy was concerned. Mechanism underlying differential amylolytic reaction inhibition by acarbose was discussed. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Acarbose, alpha-amylase, alpha-amylase inhibitor, Callosobruchus chinensis, Coleoptera, Tribolium castaneum}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2016.04.009}, author = {Channale, Sonal M. and Bhide, Amey J. and Yadav, Yashpal and Kashyap, Garima and Pawar, Pankaj K. and Maheshwari, V. L. and Ramasamy, Sureshkumar and Giri, Ashok P.} } @conference {45847, title = {Characterizing flow and solid suspension in optimax crystallization workstation}, booktitle = {North American Mixing Forum 2016 - Core Programming Area at the 2016 AIChE Annual Meeting}, year = {2016}, month = {NOV}, publisher = {AIChE}, organization = {AIChE}, address = {San Francisco; United States}, isbn = {978-151083442-2}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85019102692\&origin=inward\&txGid=820eae9eac7a8eac5ea31078647c0e4f}, author = {Sardeshpande, M. and Pandit, A. and Vedantam, S. and Ranade, V. V.} } @article { ISI:000377768200017, title = {Characterizing fruit and vegetable peels as bioadsorbents}, journal = {Current Science}, volume = {110}, number = {11}, year = {2016}, month = {JUN}, pages = {2114-2123}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Fruit and vegetable peel (FVP) wastes are a commonly generated organic waste from both households and food-processing industries. However, FVPs are low-cost lignocellulosic materials that have some potential for reutilization. For its particular reutilization, the characterization of FVP is essential. In this regard, the present study provides a detailed physico-chemical characterization of commonly used FVPs such as pomegranate, pineapple, watermelon, garlic, green pea and pigeon pea. The materials were characterized by SEM, FTIR and TGA/DTG. Various properties of these materials, such as porosity, particle density, bulk density, surface charges, point of zero charge, surface pH, water absorption capacity and BET surface area were determined. The BET surface area of FVP was found in the range 1.0-1.4 m(2)/g. Water absorption capacity was highest for watermelon peel (11.5 ml/g), while it was lowest for pigeon pea peel (5.5 ml/g). Point of zero charge and surface pH of all FVPs were in the acidic range 3-6. The surface of FVP was irregular and rough with some pores. Thermal analysis showed that FVPs are thermally stable below 150 degrees C. The results of this study provide an understanding of the properties of FVPs and suggest that the materials can be used as a low-cost adsorbent.
}, keywords = {Bioadsorbent, fruit and vegetable peels, organic waste, physico-chemical characterization}, issn = {0011-3891}, doi = {10.18520/cs/v110/i11/2114-2123}, author = {Pathak, Pranav D. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article { ISI:000369482100014, title = {Characterizing the nanoclay induced constrained amorphous region in model segmented polyurethane-urea/clay nanocomposites and its implications on gas barrier properties}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {3}, year = {2016}, month = {JAN}, pages = {1487-1499}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
There has been an increasing recognition of the fact that purely geometric factors associated with clay platelet dispersion in a polymer matrix cannot adequately explain the barrier properties of polymer/clay nanocomposites. The objective of the present work is to understand the nanoclay induced structural changes in a polyurethane-urea matrix and clay dispersion at different length scales using segment-specific characterization techniques and implications of the same in gas barrier properties using He, N-2 and CO2 as probe molecules. Wide angle X-ray diffraction (WAXD) and positron annihilation life time spectroscopy (PALS) studies revealed nanoclay induced alterations in the chain packing of the amorphous soft segments of the polyurethane matrix at a molecular scale of a few Angstroms. The hard segment organization and the phase morphology of the nanocomposites, spanning length scales of several nanometers, were investigated by small angle X-ray scattering (SAXS), scanning electron microscopy (SEM) and atomic force microscopy (AFM). Furthermore, the presence of a constrained amorphous region surrounding the nanoclay was confirmed from AFM, WAXD and PALS results. Several pertinent structural variables from the gas transport point of view were deduced from these characterization techniques to understand the effect of the barrier properties in tandem with the clay dispersion morphology.
}, issn = {1463-9076}, doi = {10.1039/c5cp05260b}, author = {Rath, Sangram K. and Sudarshan, Kathi and Bhavsar, Rupesh S. and Kharul, Ulhas K. and Pujari, Pradeep K. and Patri, Manoranjan and Khakhar, Devang V.} } @article { ISI:000375969000056, title = {Charge delocalization in the cascade band structure CdS/CdSe and CdS/CdTe core-shell sensitized with Re(I)-polypyridyl complex}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {18}, year = {2016}, month = {MAY}, pages = {10051-10061}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Charge-carrier dynamics of CdS quantum dot (QD) and CdS/CdSe type-I and CdS/CdTe type-II core shell nanocrystals (NCs) sensitized with a Re(I)-polypyridyl complex have been carried with special emphasis on studies on carrier delocalization and the role of Re-complex as a hole acceptor and sensitizer molecule. Our investigation confirmed photoexcited hole transfer from CdS and CdS/CdSe to the Re-complex, while no hole transfer was observed in the CdS/CdTe Re-complex system. This was rationalized by the evaluation of the relative energy levels, which revealed that such hole migration was not energetically favorable due to low-lying highest occupied molecular orbital (HOMO) of the Re-complex as compared with the valence band (VB) of CdTe shell; however, luminescence quenching from upper excited states of Re-complex was observed in the presence of all three QD and core shell systems, which has been attributed to electron injection from hot state (energetically higher than the LUMO state) of the Re-complex to the conduction band (CB) of the QDs. Transient absorption (lambda(pump) = 400 nm, lambda(probe) = 450-750 nm) spectra recorded for Re complex-sensitized CdS and CdS/CdSe composite in the femtosecond time domain revealed a broad transient absorption band in the 580-750 nm region with a peak around 595 nm, and this was attributed to the cation radical formation for Re-complex, either by capturing photoexcited hole from the NCs or by injecting electron to the CB of the NCs. As anticipated, no such spectrum was observed for the CdS/CdTe Re-complex composite system after 400 nm excitation. Electron injection from photoexcited Re-complex to CdS QD and CdS/CdSe core shell was found to be \<100 fs, while the hole transfer from photoexcited CdS QD and CdS/CdSe core shell to Re-complex took place within the time scale of 900 fs and 2.5 ps, respectively.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.6b01654}, author = {Maity, Partha and Debnath, Tushar and Banerjee, Tanmay and Das, Amitava and Ghosh, Hirendra N.} } @article {43400, title = {ChemEngine: harvesting 3D chemical structures of supplementary data from PDF files}, journal = {Journal of Cheminformatics}, volume = {8}, year = {2016}, month = {DEC}, pages = {Article Number: 73}, abstract = {Digital access to chemical journals resulted in a vast array of molecular information that is now available in the supplementary material files in PDF format. However, extracting this molecular information, generally from a PDF document format is a daunting task. Here we present an approach to harvest 3D molecular data from the supporting information of scientific research articles that are normally available from publisher{\textquoteright}s resources. In order to demonstrate the feasibility of extracting truly computable molecules from PDF file formats in a fast and efficient manner, we have developed a Java based application, namely ChemEngine. This program recognizes textual patterns from the supplementary data and generates standard molecular structure data (bond matrix, atomic coordinates) that can be subjected to a multitude of computational processes automatically. The methodology has been demonstrated via several case studies on different formats of coordinates data stored in supplementary information files, wherein ChemEngine selectively harvested the atomic coordinates and interpreted them as molecules with high accuracy. The reusability of extracted molecular coordinate data was demonstrated by computing Single Point Energies that were in close agreement with the original computed data provided with the articles. It is envisaged that the methodology will enable large scale conversion of molecular information from supplementary files available in the PDF format into a collection of ready-to-compute molecular data to create an automated workflow for advanced computational processes.}, doi = {10.1186/s13321-016-0175-x}, author = {Karthikeyan, Muthukumarasamy and Vyas, Renu} } @article {43415, title = {Chemically delaminated free-standing ultrathin covalent organic nanosheets}, journal = {Angewandte Chemie-International Edition}, volume = {55}, year = {2016}, month = {DEC}, pages = {15604-15608}, abstract = {Covalent organic nanosheets (CONs) are a new class of porous thin two-dimensional (2D) nanostructures that can be easily designed and functionalized and could be useful for separation applications. Poor dispersion, layer restacking, and difficult postsynthetic modifications are the major hurdles that need to be overcome to fabricate scalable CON thin films. Herein, we present a unique approach for the chemical exfoliation of an anthracene-based covalent organic framework (COF) to N-hexylmaleimide-functionalized CONs, to yield centimeter-sized free-standing thin films through layer-by-layer CON assembly at the air-water interface. The thinlayer fabrication technique presented here is simple, scalable, and does not require any surfactants or stabilizing agents.}, doi = {10.1002/anie.201607812}, author = {Khayum, M. Abdul and Kandambeth, Sharath and Mitra, Shouvik and Nair, Sanoop B. and Das, Anuja and Nagane, Samadhan S. and Mukherjee, Rabibrata and Banerjee, Rahul} } @article { ISI:000373163100005, title = {Chemically stable covalent organic framework (COF)-polybenzimidazole hybrid membranes: enhanced gas separation through pore modulation}, journal = {Chemistry-A European Journal}, volume = {22}, number = {14}, year = {2016}, month = {MAR}, pages = {4695-4699}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Highly flexible, TpPa-1@PBI-BuI and TpBD@PBI-BuI hybrid membranes based on chemically stable covalent organic frameworks (COFs) could be obtained with the polymer. The loading obtained was substantially higher (50\%) than generally observed with MOFs. These hybrid membranes show an exciting enhancement in permeability (about sevenfold) with appreciable separation factors for CO2/N-2 and CO2/CH4. Further, we found that with COF pore modulation, the gas permeability can be systematically enhanced.
}, keywords = {covalent organic frameworks, Gas separation, membranes, microporous materials, pore modulation}, issn = {0947-6539}, doi = {10.1002/chem.201504836}, author = {Biswal, Bishnu P. and Chaudhari, Harshal D. and Banerjee, Rahul and Kharul, Ulhas K.} } @article { ISI:000380250800021, title = {Chemoenzymatic access to (+)-artabotriol and its application in collective synthesis of (+)-grandiamide D, (-)-tulipalin B, (+)-spirathundiol, and (+)-artabotriolcaffeate}, journal = {Synthesis-Stuttgart}, volume = {48}, number = {13}, year = {2016}, month = {JUL}, pages = {2130-2136}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Starting from dimethyl (+/-)-2-hydroxy-3-methylenesuccinnate chemoenzymatic collective formal/total synthesis of enantiomerically pure bioactive natural products has been described via the advanced level common precursor (+)-artabotriol. An efficient enzymatic resolution with high enantiomeric purity, selective diester to diol reduction, and requisite dehydrative coupling reactions without any racemization are the significant topographies.
}, keywords = {(+)-artabotriol, collective synthesis, coupling reactions, dimethyl (+/-)-2-hydroxy-3-methylenesuccinate, Enzymatic resolution, Natural products, reduction}, issn = {0039-7881}, doi = {10.1055/s-0035-1561588}, author = {Batwal, Ramesh U. and N. P. Argade} } @article { ISI:000373519300040, title = {Chitosan-based lead ion-imprinted interpenetrating polymer network by simultaneous polymerization for selective extraction of lead(ii)}, journal = {Industrial \& Engineering Chemistry Research}, volume = {55}, number = {12}, year = {2016}, month = {MAR}, pages = {3668-3678}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this study, we report the synthesis of a Pb(II) ion-imprinted interpenetrating polymer network (II-IPN) by simultaneous polymerization for selective extraction of Pb(II) from printed-circuit-board (PCB) recycling unit wastewater. Initially, a polymer network was synthesized by polymerization of methacrylic acid (monomer) and ethylene glycol dimethacrylate (cross-linker) and a second polymer network by chitosan (complexing monomer) and tetraethyl orthosilicate (cross-linker). The chemical structure and morphology of the II-IPN were analyzed using Fourier transform infrared, field-emission scanning electron microscopy, atomic force microscopy, and transmission electron microscopy. The interaction of the functionality in the II-IPN with Pb(II) through chelation was studied by X-ray photoelectron spectroscopy analysis. The maximum adsorption capacities for II-IPN and nonimprinted interpenetrating polymer network were 37.5 and 10.3 mg g(-1), respectively. The largest selectivity coefficient for Pb(II) in the presence of W(VI) was 161.58. The developed Pb(II) II-IPN was successfully employed for selective extraction of Pb(II) from PCB recycling unit wastewater.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b04889}, author = {Hande, Pankaj E. and Kamble, Sanjay and Samui, Asit B. and Kulkarni, Prashant S.} } @article { ISI:000381562500001, title = {Cholesterol-dependent conformational plasticity in GPCR dimers}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {AUG}, pages = {31858}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
The organization and function of the serotonin1A receptor, an important member of the GPCR family, have been shown to be cholesterol-dependent, although the molecular mechanism is not clear. We performed a comprehensive structural and dynamic analysis of dimerization of the serotonin1A receptor by coarse-grain molecular dynamics simulations totaling 3.6 ms to explore the molecular details of its cholesterol-dependent association. A major finding is that the plasticity and flexibility of the receptor dimers increase with increased cholesterol concentration. In particular, a dimer interface formed by transmembrane helices I-I was found to be sensitive to cholesterol. The modulation of dimer interface appears to arise from a combination of direct cholesterol occupancy and indirect membrane effects. Interestingly, the presence of cholesterol at the dimer interface is correlated with increased dimer plasticity and flexibility. These results represent an important step in characterizing the molecular interactions in GPCR organization with potential relevance to therapeutic interventions.
}, issn = {2045-2322}, doi = {10.1038/srep31858}, author = {Prasanna, Xavier and Sengupta, Durba and Chattopadhyay, Amitabha} } @article {43423, title = {Chord length distribution to particle size distribution}, journal = {AICHE Journal}, volume = {62}, year = {2016}, month = {DEC}, pages = {4215-4228}, abstract = {A simple model is presented to extract the particle size distribution (PSD) from the chord length distribution measured using a focused beam reflectance measurement probe. The model can be implemented using simple spread sheeting tools and does not require the description of additional parameters as opposed to previous models. The model was validated for two systems consisting of spherical ceramic beads by comparing model predicted PSD against the PSD obtained through image analysis (IA). Then, the model was evaluated by considering various systems consisting of irregularly shaped particles (sand/zinc dust/plasma alumina). Model predictions accurately predicted the mean but over-predicted the variance of the PSD in comparison with the PSD obtained from IA. However, overall, a reasonable agreement was observed. Finally, the model was shown to be accurate in predicting PSD in comparison with the measured PSD for systems of practical relevance such as for paracetamol and p-aminophenol crystals. (c) 2016 American Institute of Chemical Engineers AIChE J, 62: 4215-4228, 2016}, doi = {10.1002/aic.15338}, author = {Pandit, Ajinkya V. and Ranade, Vivek V.} } @article { ISI:000379369800003, title = {Chromium free high temperature water-gas shift catalyst for the production of hydrogen from waste derived synthesis gas}, journal = {Applied Catalysis A-General}, volume = {522}, year = {2016}, month = {JUL}, pages = {21-31}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A comparative study between monometallic (Me-CeO2, Me =Zn, Cu, Fe and Co) and Ni-doped bimetallic (Me-Ni-CeO2) catalysts has been performed in the high temperature water-gas shift (HT-WGS) reaction using waste derived synthesis gas. Experimental results revealed that Me-Ni-CeO2 exhibited higher catalytic performance than simple Me-CeO2 catalysts. Within the Me-Ni-CeO2 series, Co-Ni-CeO2 exhibited excellent and stable catalytic performance (CO conversion \> 90\%) at a very high GHSV of 143,000 h(-1). The existence of high" concentration of Ce3+ ions and oxygen vacancies on the catalyst surface were responsible for the increased WGS activity of Co-Ni-CeO2. In addition, Co-Ni-CeO2 maintains a stable performance for 50 h. However, commercial Fe2O3-Cr2O3 catalyst showed a steep decline from their initial CO conversion values 15-10\% within 5 h. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {CeO2, Co-Ni-CeO2, Lattice strain, oxygen vacancies, Water-gas shift}, issn = {0926-860X}, doi = {10.1016/j.apcata.2016.04.027}, author = {Jha, Ajay and Jeong, Dae-Woon and Lee, Yeol-Lim and Jang, Won-Jun and Shim, Jae-Oh and Jeon, Kyung-Won and Rode, Chandrashekhar V. and Roh, Hyun-Seog} } @article {42910, title = {Classification and study of near-surface region of active material for gas detection using x-ray photoelectron spectroscopy}, journal = {Advanced Materials Letters}, volume = {7}, year = {2016}, month = {JAN}, pages = {330-336}, abstract = {
We report investigations on resistive material SnO2: Cu (9 wt. \%) evaluated and optimized for the application of gas sensor. SnO2: Cu has been thoroughly characterized by using X-ray photoelectron spectroscopy (XPS). The deconvolution of XPS spectra confirms the existing surface reactive species in the form of states of the metal orbital and the presence of multiple pathways for the detection of CO vis-{\`a}-vis sintering temperature effect. Enhanced CO pickup at the sintering temperature of 650 0C (wide range and low sensitivity) and 750 0C (short range and high sensitivity) has been observed. The CO sensing and XPS data correlates well along with the nonconventional use of variation in average XPS background intensity of general scan seems to be related to optimized sensitivity conditions of various gases. Copyright {\textcopyright} 2016 VBRI Press.
}, doi = {10.5185/amlett.2016.6137}, author = {More, Pravin S. and Late, Dattatray J. and Kondawar, Subhash B.} } @article {43574, title = {"Click" polymerization: a convenient strategy to prepare designer fullerene materials}, journal = {Materials \& Design}, volume = {108}, year = {2016}, month = {OCT}, pages = {34-41}, abstract = {"Click" polymeric assemblies of fullerenes, thiophenes and aryl compounds were prepared for the first time to study their spectroscopic/chemical/electronic characteristics and possible applications in photovoltaic cells. The GPC and NMR spectroscopic data confirmed a moderate to high degree of polymerization while microscopic pictures showed well-defined arrangements of fullerenes. The FTIR studies indicated that the product is free from starting azide materials, whereas thermogravimetric analysis data suggested a good stability. Band gap of the material was determined using UV-Vis spectroscopy, cyclic voltammetric techniques and compared with computational investigation. The fullerene copolymer was fabricated as acceptor material in a bulk heterojunction photovoltaic cell. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.matdes.2016.06.059}, author = {Krishnamurthy, Munusamy and Krishnamoorthy, Kothandam and Arulkashmir, Arulraj and Raghavendra, V. and Murali, Adhigan and Jaisankar, Sellamuthu N. and Murugan, P. and Gurusamy-Thangavelu, Senthil A. and Nasar, A. Sultan and Mandal, Asit Baran and Samanta, Debasis} } @article { ISI:000374920400016, title = {CO oxidation on large high-index faceted Pd nanostructures}, journal = {Journal of Catalysis}, volume = {337}, year = {2016}, month = {MAY}, pages = {138-144}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The structure sensitivity of CO oxidation has been investigated on oxide-supported palladium nanoparticles of different morphologies. The reactivity of concave nanocubes and nanoflowers that expose {3 1 0} and {3 1 1} high-index facets showed a lower onset temperature for CO oxidation than Pd nanospheres of size around 6 nm. These concave nanocubes and nanoflowers were also found to catalyze the CO oxidation reaction more efficiently than simple cubes and spheres of similar size that exposed low-index facets. The enhanced activity of these nanoparticles compared with other morphologies are attributed to the presence of sites of under-coordination on the exposed high-index facets. The larger nanoparticles were also found to be more stable in the reaction environment. (C) 2016 Elsevier Inc. All rights reserved.
}, keywords = {CO oxidation, High-index facets, Pd nanoparticles, structure sensitivity}, issn = {0021-9517}, doi = {10.1016/j.jcat.2016.01.017}, author = {Sreedhala, S. and Sudheeshkumar, V. and Vinod, C. P.} } @article {43425, title = {CO2 Laser direct written MOF-based metal-decorated and heteroatom-doped porous graphene for flexible all-solid-state microsupercapacitor with extremely high cycling stability}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {NOV}, pages = {31841-31848}, abstract = {Over the past decade, flexible and wearable microelectronic devices and systems have gained significant importance. Because portable power source is an essential need of such wearable devices, currently there is considerable research emphasis on the development of planar interdigitated micro energy-torage devices by employing diverse precursor materials to obtain functional materials (functional carbon, oxides, etc.) with the desirable set of properties. Herein we report for the first time the use of metal organic framework (MOF) and zeolitic imidazolate framework (ZIF-67) for high-wavelength photothermal laser direct writing of metal-decorated, heteroatom-doped, porous few-layer graphene electrodes for microsupercapacitor application. We argue that the specific attributes of MOF as a precursor and the high-wavelength laser writing approach (which creates extremely high localized and transient temperature (>2500 degrees C) due to strong absorption by lattice vibrations) are together responsible for the peculiar interesting properties of the carbon material thus synthesized, thereby rendering extremely high cycling stability to the corresponding microsupercapacitor device. Our device exhibits near 100\% retention after 200 000 cycles as well as stability under 150 degrees bending.}, doi = {10.1021/acsami.6b10193}, author = {Basu, Aniruddha and Roy, Kingshuk and Sharma, Neha and Nandi, Shyamapada and Vaidhyanathan, Ramanathan and Rane, Sunit and Rode, Chandrashekhar V. and Ogale, Satishchandra B.} } @article {45848, title = {Cobalt ferrite bearing nitrogen-doped reduced graphene oxide layers spatially separated with microporous carbon as efficient oxygen reduction electrocatalyst}, journal = {ACS Applied Materials and Interfaces}, volume = {8}, year = {2016}, month = {AUG}, pages = {20730-20740}, type = {Article}, abstract = {The present work discloses how high-quality dispersion of fine particles of cobalt ferrite (CF) could be attained on nitrogen-doped reduced graphene oxide (CF/N-rGO) and how this material in association with a microporous carbon phase could deliver significantly enhanced activity toward electrochemical oxygen reduction reaction (ORR). Our study indicates that the microporous carbon phase plays a critical role in spatially separating the layers of CF/N-rGO and in creating a favorable atmosphere to ensure the seamless distribution of the reactants to the active sites located on CF/N-rGO. In terms of the ORR current density, the heat-treated hybrid catalyst at 150 {\textdegree}C (CF/N-rGO-150) is found to be clearly outperforming (7.4 {\textpm} 0.5 mA/cm 2 ) the state-of-the-art 20 wt \% Pt-supported carbon catalyst (PtC) (5.4 {\textpm} 0.5 mA/cm 2 ). The mass activity and stability of CF-N-rGO-150 are distinctly superior to PtC even after 5000 electrochemical cycles. As a realistic system level exploration of the catalyst, testing of a primary zinc-air battery could be demonstrated using CF/N-rGO-150 as the cathode catalyst. The battery is giving a galvanostatic discharge time of 15 h at a discharge current density of 20 mA/cm 2 and a specific capacity of \~{}630 mAh g -1 in 6 M KOH by using a Zn foil as the anode. Distinctly, the battery performance of this system is found to be superior to that of PtC in less concentrated KOH solution as the electrolyte.}, doi = {10.1021/acsami.6b05416}, author = {Kashyap, V. and Singh, S. K. and Kurungot, S.} } @article {42695, title = {Cobalt-catalyzed bis-alkynylation of amides via double C{\textendash}H bond activation}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {FEB}, pages = {812{\textendash}815}, abstract = {
The first example of cobalt-catalyzed selective bis-alkynylation of amides via double C{\textendash}H bond activation with the directing assistance of a removable bidentate auxiliary is reported. The developed alkynylation strategy is simple, efficient, and tolerant of various functional groups including ether, amine, halides, and heterocyclic motifs. The reaction can be scaled up under mild conditions.
}, doi = {10.1021/acs.orglett.6b00095}, author = {Landge, Vinod Gokulkrishna and Jaiswal, Garima and Balaraman, Ekambaram} } @article { ISI:000378973100031, title = {Cobalt-modified covalent organic framework as a robust wateroxidation electrocatalyst}, journal = {Chemistry of Materials}, volume = {28}, number = {12}, year = {2016}, month = {JUN}, pages = {4375-4379}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The development of stable, efficient oxygen evolution reaction (OER) catalyst capable of oxidizing water is one of the premier challenges in the conversion of solar energy to electrical energy, because of its poor kinetics. Herein, a bipyridine-containing covalent organic framework (TpBpy) is utilized as an OER catalyst by way of engineering active Co(II) ions into its porous framework. The as-obtained Co-TpBpy retains a highly accessible surface area (450 m(2)/g) with exceptional stability, even after 1000 cycles and 24 h of OER activity in phosphate buffer under neutral pH conditions with an overpotential of 400 mV at a current density of 1 mA/cm(2). The unusual catalytic stability of Co-TpBpy arises from the synergetic effect of the inherent porosity and presence of coordinating units in the COF skeleton.
}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.6b01370}, author = {Aiyappa, Harshitha Barike and Thote, Jayshri and Shinde, Digambar Balaji and Banerjee, Rahul and Kurungot, Sreekumar} } @article { ISI:000374440100005, title = {Colloidal assembly by ice templating}, journal = {Faraday Discussions}, volume = {186}, year = {2016}, month = {OCT}, pages = {61-76}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We investigate ice templating of aqueous dispersions of polymer coated colloids and crosslinkers, at particle concentrations far below that required to form percolated monoliths. Freezing the aqueous dispersions forces the particles into close proximity to form clusters, that are held together as the polymer chains coating the particles are crosslinked. We observe that, with an increase in the particle concentration from about 106 to 108 particles per ml, there is a transition from isolated single particles to increasingly larger clusters. In this concentration range, most of the colloidal clusters formed are linear or sheet like particle aggregates. Remarkably, the cluster size distribution for clusters smaller than about 30 particles, as well as the size distribution of linear clusters, is only weakly dependent on the dispersion concentration in the range that we investigate. We demonstrate that the main features of cluster formation are captured by kinetic simulations that do not consider hydrodynamics or instabilities at the growing ice front due to particle concentration gradients. Thus, clustering of colloidal particles by ice templating dilute dispersions appears to be governed only by particle exclusion by the growing ice crystals that leads to their accumulation at ice crystal boundaries.
}, issn = {1359-6640}, doi = {10.1039/c5fd00125k}, author = {Kumaraswamy, Guruswamy and Biswas, Bipul and Choudhury, Chandan Kumar} } @article {43422, title = {Comparative evaluation of packed-bed performance of biomass ashes as adsorbents for removal of diuron from aqueous solution}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {DEC}, pages = {28831-28846}, abstract = {The packed-bed performance of biomass ashes (BMA), namely rice husk ash (RHA) and bagasse fly ash (BFA), was investigated for adsorptive removal of diuron (herbicide) under dynamic conditions. The effects of influent concentration (10-30mg/L), flow rate (1-3mL/min), and bed height (3-11cm) were studied at 30 degrees C and results were analyzed using various packed-bed models. The saturation time and capacity of the BFA bed were found to be approximately 1.5 and 1.6 times higher due to higher BET surface area than that of RHA bed. However, the bed utilization of RHA was higher because of smaller mass transfer zone. At a constant influent concentration (20mg/L) and flow rate (1mL/min), the maximum volume of diuron treated was 1,325 and 1,685mL using RHA (bed height 10cm) and BFA (bed height 11cm), respectively. Among the packed-bed models applied, the BDST model revealed the inconsistent MTZ and complex mechanism involving more than one rate-controlling step for the adsorption of diuron on both ashes. The kinetics in the initial part of the breakthrough curve was governed by external mass transfer according to the Bohart-Adams and Wolborska models. Better agreements between experimental and predicted values of bed capacities for each ash and the higher bed capacity of BFA than RHA were demonstrated by the Thomas model. The Yoon-Nelson model was found to be superior for BFA rather than for RHA to estimate 50\% saturation time. However, the deactivation kinetic model, previously discovered and applied only for gas-solid adsorption, was found to be the best for the diuron-BMA (liquid-solid) adsorption system in this study.}, doi = {10.1080/19443994.2016.1196391}, author = {Deokar, Sunil K. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {42999, title = {Comparative functional characterization of eugenol synthase from four different ocimum species: implications on eugenol accumulation}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1864}, year = {2016}, month = {NOV}, pages = {1539-1547}, abstract = {
Isoprenoids and phenylpropanoids are the major secondary metabolite constituents in Ocimum genus. Though enzymes from phenylpropanoid pathway have been characterized from few plants, limited information exists on how they modulate levels of secondary metabolites. Here, we performed phenylpropanoid profiling in different tissues from five Ocimum species, which revealed significant variations in secondary metabolites including eugenol, eugenol methyl ether, estragole and methyl cinnamate levels. Expression analysis of eugenol synthase (EGS) gene showed higher transcript levels especially in young leaves and inflorescence; and were positively correlated with eugenol contents. Additionally, transcript levels of coniferyl alcohol acyl transferase, a key enzyme diverting pool of substrate to phenylpropanoids, were in accordance with their abundance in respective species. In particular, eugenol methyl transferase expression positively correlated with higher levels of eugenol methyl ether in Ocimum tenuiflorum. Further, EGSs were functionally characterized from four Ocimum species varying in their eugenol contents. Kinetic and expression analyses indicated, higher enzyme turnover and transcripts levels, in species accumulating more eugenol. Moreover, biochemical and bioinformatics studies demonstrated that coniferyl acetate was the preferred substrate over coumaryl acetate when used, individually or together, in the enzyme assay. Overall, this study revealed the preliminary evidence for varied accumulation of eugenol and its abundance over chavicol in these Ocimum species. Current findings could potentially provide novel insights for metabolic modulations in medicinal and aromatic plants. (C) 2016 Elsevier B.V. All rights reserved.
}, doi = {10.1016/j.bbapap.2016.08.004}, author = {Anand, Atul and Jayaramaiah, Ramesha H. and Beedkar, Supriya D. and Singh, Priyanka A. and Joshi, Rakesh S. and Mulani, Fayaj A. and Dholakia, Bhushan B. and Punekar, Sachin A. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article { ISI:000373738200010, title = {Comparative investigation of the ionicity of aprotic and protic ionic liquids in molecular solvents by using conductometry and NMR spectroscopy}, journal = {Chemphyschem}, volume = {17}, number = {7}, year = {2016}, month = {APR}, pages = {1006-1017}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Electrical conductivity (sigma), viscosity (), and self-diffusion coefficient (D) measurements of binary mixtures of aprotic and protic imidazolium-based ionic liquids with water, dimethyl sulfoxide, and ethylene glycol were measured from 293.15 to 323.15K. The temperature dependence study reveals typical Arrhenius behavior. The ionicities of aprotic ionic liquids were observed to be higher than those of protic ionic liquids in these solvents. The aprotic ionic liquid, 1-butyl-3-methylimidazolium tetrafluoroborate, [bmIm][BF4], displays 100\% ionicity in both water and ethylene glycol. The protic ionic liquids in both water and ethylene glycol are classed as good ionic candidates, whereas in DMSO they are classed as having a poor ionic nature. The solvation dynamics of the ionic species of the ionic liquids are illustrated on the basis of the (HNMR)-H-1 chemical shifts of the ionic liquids. The self-diffusion coefficients D of the cation and anion of [HmIm][CH3COO] in D2O and in [D-6]DMSO are determined by using H-1 nuclei with pulsed field gradient spin-echo NMR spectroscopy.
}, keywords = {conducting materials, Electrochemistry, electrostatic interactions, Ion pairs, ionic liquids}, issn = {1439-4235}, doi = {10.1002/cphc.201501156}, author = {Thawarkar, Sachin and Khupse, Nageshwar D. and Kumar, Anil} } @article { ISI:000368941700025, title = {Comparative study of dG affinity vs. DNA methylation modulating properties of side chain derivatives of procainamide: insight into its DNA hypomethylating effect}, journal = {RSC Advances}, volume = {6}, number = {7}, year = {2016}, month = {JAN}, pages = {5350-5358}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Procainamide derivatives have been synthesized to investigate the role of side chains in modulating the DNA methylation level in cancer cells and gain insight into its mechanism of action. The synthesized derivatives comprised of flexible (dimethyl), constrained (pyrrolidine, piperidine, morpholine) and planar aromatic (pyridine, phenyl) side chain motifs. The affinity of procainamide and its derivatives towards the deoxyguanosine (dG) base in neutral form has been assessed by performing Differential Pulse Voltammetry (DPV) under physiological conditions. Further, molecular docking with hemimethylated CpG rich DNA acquired from an active mDNMT-1-DNA (PDB ID-4DA4) crystal structure, reveals their preferential non-covalent interaction with dG nucleobase in the intercalation cavity of the minor groove. Differential affinity of the derivatives to dG base in neutral and bound forms (DNA) is correlated with their DNA methylation modulating properties at sub-lethal concentrations. Among all the derivatives, a compound with an aromatic phenyl side chain (1) has shown a highest binding affinity for dG nucleobase in neutral form as well as for partially denatured CpG rich DNA which is attributed to the formation of p/p stacking interaction in addition to N-H/O hydrogen bonding with the pyrimidine ring of dG base. It also shows the highest cytotoxicity and global hypomethylation at a sub-lethal level in the MCF-7 cancer cell line compared to other derivatives and procainamide. A docking study has also illustrated the plausible structural basis of DNA methylation modulating a property of procainamide. Strong association of procainamide with dG bases of partially denatured CpG rich DNA via H-bonding and other non-covalent interactions may alter the active topology of DNA required by the DNA-binding regulatory proteins (e. g. DNMT-1) which is validated by a DNMT-1 inhibition assay. This systematic investigation leads to a new potent alternative to procainamide being found and gives a plausible insight into the DNA hypomethylating effect of procainamide.
}, issn = {2046-2069}, doi = {10.1039/c5ra20012a}, author = {Gawade, Rupesh L. and Chakravarty, Debamitra K. and Debgupta, Joyashish and Sangtani, E. and Narwade, S. and Gonnade, Rajesh G. and Puranik, Vedavati G. and Deobagkar, D. D.} } @article {43031, title = {Complete metagenome sequencing based bacterial diversity and functional insights from basaltic hot spring of Unkeshwar, Maharashtra, India}, journal = {Genomics Data}, volume = {7}, year = {2016}, month = {MAR}, pages = {140-143}, abstract = {
Unkeshwar hot springs are located at geographical South East Deccan Continental basalt of India. Here, we report the microbial community analysis of this hot spring using whole metagenome shotgun sequencing approach. The analysis revealed a total of 848,096 reads with 212.87Mbps with 50.87\% G+C content. Metagenomic sequences were deposited in SRA database with accession number (SUB1242219). Community analysis revealed 99.98\% sequences belonging to bacteria and 0.01\% to archaea and 0.01\% to Viruses. The data obtained revealed 41 phyla including bacteria and Archaea and including 719 different species. In taxonomic analysis, the dominant phyla were found as, Actinobacteria (56\%), Verrucomicrobia (24\%), Bacteriodes (13\%), Deinococcus-Thermus (3\%) and firmicutes (2\%) and Viruses (2\%). Furthermore, functional annotation using pathway information revealed dynamic potential of hot spring community in terms of metabolism, environmental information processing, cellular processes and other important aspects. Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis of each contig sequence by assigning KEGG Orthology (KO) numbers revealed contig sequences that were assigned to metabolism, organismal system, Environmental Information Processing, cellular processes and human diseases with some unclassified sequences. The Unkeshwar hot springs offer rich phylogenetic diversity and metabolic potential for biotechnological applications.
}, doi = {10.1016/j.gdata.2015.12.031}, author = {Mehetre, Gajanan T. and Paranjpe, Aditi S. and Dastager, Syed Gulam and Dharne, Mahesh S.} } @article { ISI:000370464800023, title = {Complexation key to a pH locked redox reaction}, journal = {Journal of Chemical Education}, volume = {93}, number = {2}, year = {2016}, month = {FEB}, pages = {355-361}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An unfavorable pH can block a feasible electron transfer for a pH dependent redox reaction. In this experiment, a series of potentiometric titrations demonstrate the sequential loss in feasibility of iron(II) dichromate redox reaction over a pH range of 0-4. The pH at which this reaction failed to occur was termed as a pH locked reaction. The comparative ability of 10 selected iron binding ligands with varied propensity for the redox potential modification of Fe(III)/Fe(II) redox couple to restore/unlock the pH locked redox reaction is shown using potentiometric titrations. The spectrophotometric speciation analysis of Fe(III) Tiron complexation with pH was carried out to explain the differing ability of EDTA and Tiron to unlock the reaction under different pH Conditions. The experiment illustrates how environmental, biological redox reactions avoid severe laboratory conditions to occur and can be explored in the design of novel redox systems for natural attenuation of environmental toxins to their non- or lesser-toxic forms. The experiment also demonstrates prudent laboratory practice for safe waste disposal.
}, keywords = {Analytical Chemistry, Aqueous Solution Chemistry, Coordination Compounds, Oxidation/Reduction, pH, Physical Chemistry, Potentiometry, Second-Year Undergraduate, Thermodynamics, Titration/Volumetric Analysis, Upper-Division Undergraduate}, issn = {0021-9584}, doi = {10.1021/acs.jchemed.5b00499}, author = {Rizvi, Masood Ahmad and Dangat, Yuvraj B. and Shams, Tahir and Khan, Khaliquz Zaman} } @article { ISI:000381384300031, title = {Composition dependence of the glass forming ability in binary mixtures: the role of demixing entropy}, journal = {Journal of Chemical Physics}, volume = {145}, number = {3}, year = {2016}, month = {JUL}, pages = {Article Number: 034503}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
We present a comparative study of the glass forming ability of binary systems with varying composition, where the systems have similar global crystalline structure (CsCl+fcc). Biased Monte Carlo simulations using umbrella sampling technique show that the free energy cost to create a CsCl nucleus increases as the composition of the smaller particles is decreased. We find that systems with comparatively lower free energy cost to form CsCl nucleus exhibit more pronounced pre-crystalline demixing near the liquid/crystal interface. The structural frustration between the CsCl and fcc crystal demands this demixing. We show that closer to the equimolar mixture, the entropic penalty for demixing is lower and a glass forming system may crystallize when seeded with a nucleus. This entropic penalty as a function of composition shows a non-monotonic behaviour with a maximum at a composition similar to the well known Kob-Anderson (KA) model. Although the KA model shows the maximum entropic penalty and thus maximum frustration against CsCl formation, it also shows a strong tendency towards crystallization into fcc lattice of the larger {\textquoteleft}{\textquoteleft}A{\textquoteright}{\textquoteright} particles which can be explained from the study of the energetics. Thus for systems closer to the equimolar mixture although it is the requirement of demixing which provides their stability against crystallization, for KA model it is not demixing but slow dynamics and the presence of the {\textquoteleft}{\textquoteleft}B{\textquoteright}{\textquoteright} particles make it a good glass former. The locally favoured structure around {\textquoteleft}{\textquoteleft}B{\textquoteright}{\textquoteright} particles is quite similar to the CsCl structure and the incompatibility of CsCl and fcc hinders the fcc structure growth in the KA model. Although the glass forming binary systems studied here are quite similar, differing only in composition, we find that their glass forming ability cannot be attributed to a single phenomenon. Published by AIP Publishing.
}, issn = {0021-9606}, doi = {10.1063/1.4958630}, author = {Nandi, Ujjwal Kumar and Banerjee, Atreyee and Chakrabarty, Suman and Bhattacharyya, Sarika Maitra} } @article { ISI:000370029900002, title = {Compounds with low-valent p-block elements for small molecule activation and catalysis}, journal = {Chemcatchem}, volume = {8}, number = {3}, year = {2016}, month = {FEB}, pages = {486-501}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
The past decade has witnessed staggering progress in the chemistry of compounds with low-valent main-group elements. Although these discoveries are mostly fundamental by nature, these compounds show promising reactivity towards small molecule activation. The reactivity of these compounds stems from the modest HOMO-LUMO energy gap; a characteristic known for the transition metals. The journey began in 2005 with the facile activation of dihydrogen by an alkyne analog of germanium [ArGeGeAr; Ar=2,6-Trip(2)-C6H3 (Trip=2,4,6-iPr(3)-C6H2)]. Subsequently, tremendous progress has been achieved in understanding and elucidating the potential of these compounds to activate small molecules as well as to use them in a variety of stoichiometric and catalytic transformations. In this review, we focus on developments in the activation of H-2, NH3, CO, and CO2 by compounds with multiply bound or open shell main-group elements. Emphasis will be given to their catalytic activity.
}, keywords = {activation, carbenes, main-group elements, silylenes, small molecules}, issn = {1867-3880}, doi = {10.1002/cctc.201501015}, author = {Yadav, Sandeep and Saha, Sumana and Sen, Sakya S.} } @article { ISI:000369480600051, title = {Concentration-dependent apparent partition coefficients of ionic liquids possessing ethyl-and bi-sulphate anions}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {2}, year = {2016}, month = {JAN}, pages = {1105-1113}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This study deals with the concentration dependent apparent partition coefficients log P of the ethyl and bisulfate-based ionic liquids. It is observed that the bisulfate-based ionic liquids show different behaviour with respect to concentration as compared to ethyl sulphate-based ionic liquids. It is significant and useful analysis for the further implementation of alkyl sulfate based ionic liquids as solvents in extraction processes. The log P values of the ethyl sulphate-based ionic liquids were noted to vary linearly with the concentration of the ionic liquid, whereas a flip-flop trend with the concentration for the log P values of the bisulphate-based ionic liquids was observed due to the difference in hydrogen bond accepting basicity and possibility of aggregate formation of these anions. The pi-pi interactions between the imidazolium and pyridinium rings were seen to affect the log P values. The alkyl chain length of anions was also observed to influence the log P values. The hydrophobicity of ionic liquid changes with the alkyl chain in the anion in the order; [HSO4](-) \< [EtSO4](-) \< [BuSO4](-).
}, issn = {1463-9076}, doi = {10.1039/c5cp06611e}, author = {Jain, Preeti and Kumar, Anil} } @article { ISI:000376689000006, title = {Concise enantioselective synthesis of (+)-L-733,060 and (+)-T-2328 via sequential proline catalysis}, journal = {Synlett}, volume = {27}, number = {9}, year = {2016}, month = {JUN}, pages = {1339-1343}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
A new, sequential proline-catalyzed approach to the synthesis of (+)-L-733,060 and (+)-T-2328 in high optical purity (93\% ee) is described starting from phenyl N-Boc imine. The strategy involves proline-catalyzed Mannich reaction of an arylimine with acetaldehyde followed by -aminoxylation/Wittig olefination in a sequential fashion as the key steps.
}, keywords = {Aminoxylation, imine, Mannich reaction, olefination, sequential}, issn = {0936-5214}, doi = {10.1055/s-0035-1561346}, author = {Lalwani, Komal G. and Sudalai, Arumugam} } @article { ISI:000373408800021, title = {Concise enantioselective synthesis of (+)-sertraline and (-)-CP-52002 using proline catalysis}, journal = {Tetrahedron Letters}, volume = {57}, number = {9}, year = {2016}, month = {MAR}, pages = {1053-1055}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A short enantioselective synthesis of (+)-sertraline and its C-4 epimer (-)-CP-52002 with an overall yield of 30\%, respectively, as its hydrochloride has been described. The key steps are the proline catalyzed Mannich reaction of acetaldehyde and acid catalyzed intramolecular Friedel-Crafts{\textquoteright} alkylation reaction of olefin proceeding with high optical purities. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Indatraline, Mannich reaction, Proline catalysis, Sertraline, Tametraline}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2016.01.085}, author = {Kalshetti, Rupali G. and Venkataramasubramanian, V. and Kamble, Sanjay P. and Sudalai, Arumugam} } @article { ISI:000375142200228, title = {Conformational dynamics of GPCR dimers is dependent on membrane cholesterol}, journal = {Biophysical Journal}, volume = {110}, number = {3, 1}, year = {2016}, note = {60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, FEB 27-MAR 02, 2016}, month = {FEB}, pages = {356A-356A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Sengupta, Durba and Prasanna, Xavier and Chattopadhyay, Amitabha} } @article { ISI:000376417400001, title = {Conformational energy landscape of the ritonavir molecule}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {19}, year = {2016}, month = {MAY}, pages = {4331-4340}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Conformational polymorphism of ritonavir, a well-known pharmaceutical drug, is intricately linked to its efficacy in the treatment of acquired immunodeficiency syndrome (AIDS). Polymorphic transition from the crystalline form I to form II leads to the loss of bioactivity. The constituent ritonavir molecules adopt a trans configuration about the carbamate torsion angle in the form I crystal, and a cis configuration in the form II crystal. Investigating the energetics and mechanistic features of conformational transitions at the single molecule level is a key step toward decoding the complex features of the solid state polymorphism. In this work, we employ the energy landscape framework to investigate the conformational transitions of an isolated ritonavir molecule. The landscape is explored using discrete path sampling (DPS) and visualized in terms of disconnectivity graphs. We identify two distinct funnels corresponding to the two molecular forms that are identified by crystallography. The two regions can be reliably distinguished using the carbamate torsion angle, and the corresponding interconversion rates are predicted to follow Arrhenius behavior. The results provide mechanistic insight into pathways for cis \<-\> trans interconversion at the molecular level and may also help in elucidating the polymorphic transitions in the crystal state.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b12272}, author = {Chakraborty, Debayan and Sengupta, Neelanjana and Wales, David J.} } @article {42692, title = {Conformational features of the Aβ42 peptide monomer and its interaction with the surrounding solvent}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, year = {2016}, month = {OCT}, pages = {30144-30159}, doi = {10.1039/C6CP04925G}, author = {Khatua, Prabir and Jose, Jaya C. and Sengupta, Neelanjana and Bandyopadhyay, Sanjoy} } @article { ISI:000366859200017, title = {Conjugated porous polymers as precursors for electrocatalysts and storage electrode materials}, journal = {Chemical Communications}, volume = {52}, number = {2}, year = {2016}, month = {OCT}, pages = {316-318}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Conjugated porous polymers were used as precursors to prepare nitrogen and sulphur doped carbon atoms, which were then used for oxygen reduction and energy storage.
}, issn = {1359-7345}, doi = {10.1039/c5cc08148c}, author = {Bhosale, Manik E. and Illathvalappil, Rajith and Kurungot, Sreekumar and Krishnamoorthy, Kothandam} } @article {43442, title = {Constructing covalent organic frameworks in water via dynamic covalent bonding}, journal = {Iucrj}, volume = {3}, year = {2016}, month = {NOV}, pages = {402-407}, abstract = {The formation of keto-enamine based crystalline, porous polymers in water is investigated for the first time. Facile access to the Schiff base reaction in water has been exploited to synthesize stable porous structures using the principles of Dynamic Covalent Chemistry (DCC). Most credibly, the water-based Covalent Organic Frameworks (COFs) possess chemical as well as physical properties such as crystallinity, surface area and porosity, which is comparable to their solvothermal counterparts. The formation of COFs in water is further investigated by understanding the nature of the monomers formed using hydroxy and non-hydroxy analogues of the aldehyde. This synthetic route paves a new way to synthesize COFs using a viable, greener route by utilization of the DCC principles in conjunction with the keto-enol tautomerism to synthesize useful, stable and porous COFs in water.}, doi = {10.1107/S2052252516013762}, author = {Thote, Jayshri and Aiyappa, Harshitha Barike and Kumar, Raya Rahul and Kandambeth, Sharath and Biswal, Bishnu P. and Shinde, Digambar Balaji and Roy, Neha Chaki and Banerjee, Rahul} } @article {42544, title = {Continuous flow doebner{\textendash}miller reaction and isolation using continuous stirred tank reactors}, journal = {Organic Process Research \& Development}, volume = {20}, year = {2016}, month = {AUG}, pages = {1621{\textendash}1625}, abstract = {
Continuous flow Doebner{\textendash}Miller synthesis of different quinaldines from respective anilines is demonstrated using sulfuric acid as a homogeneous catalyst. The extent of reaction was monitored for various parameters, namely, temperature, residence time, mole ratio of sulfuric acid to substrate, mole ratio of crotonaldehyde to substrate, and so forth. Continuous stirred reactors in series were used as a preferred configuration for this rection that generates byproduct in the form of sticky solid material. The approach has been extended for six different anilines, and the results are compared with batch reactions. Continuous stirred reactors in series with distributed dosing of crotonaldehyde facilitated a continuous flow reaction with lower byproduct formation, increased yields, and continuous workup and is a scalable approach.
}, doi = {10.1021/acs.oprd.6b00179}, author = {Yadav, Maruti B. and Kulkarni, Sourabh and Joshi, Ramesh A. and Kulkarni, Amol A.} } @article {43596, title = {Contriving a catalytically active structure from an inert conformation: a density functionalinvestigation of Al, Hf, and Ge doping of Au-20 tetrahedral clusters}, journal = {Journal of Physical Chemistry C}, volume = {120}, year = {2016}, month = {SEP}, pages = {19636-19641}, abstract = {
The transformation of an inert structure into a catalytically active conformation has immense potential from a structural engineering point of view. In the present work, we explored methods of achieving such a transformation through a density-functional-based study. Au-20 is known be one of the most stable and catalytically inert gold clusters, with a well-known tetrahedral structure. We demonstrate the transformation of the inert Au-20 conformation into a highly active catalytic cluster through selective doping with Hf and Ge atoms. Depending on the dopant, the inert tetrahedral Au-20 cluster evolves into either an endohedral or a hollow-cage-like conformation. The structural changes are manifested in the catalytic properties as well, with the result that the transformed doped cages exhibit extremely low activation barriers for the environmentally important CO oxidation reaction as compared to reported inert Au-20 cluster. The activation barriers for CO oxidation are particularly low (\<0.12 eV) when germanium is directly involved in the CO oxidation. Thus, the current work highlights the importance of engineering structural properties of metal nanoclusters with the help of heteroatom dopants for future applications in efficient catalysis.
}, doi = {10.1021/acs.jpcc.6b04305}, author = {Manzoor, Dar and Krishnamurty, Sailaja and Pal, Sourav} } @article {43640, title = {Controllable synthesis of SnO2 photocatalyst with superior photocatalytic activity for the degradation of methylene blue dye solution}, journal = {Journal of Experimental Nanoscience}, volume = {11}, year = {2016}, month = {MAY}, pages = {1138-1155}, abstract = {SnO2 photocatalyst was successfully synthesised by novel chemical route in hydrothermal environment and annealed at two different temperatures viz 550 and 600 degrees C, respectively. The crystal structure, optical properties, surface and bulk morphology have been characterised using various tools like X-ray diffraction (XRD), UV visible spectroscopy, Fourier transform infrared spectroscopy, transmission electron microscope (TEM) and scanning electron microscope (SEM). Cubic, spheres and porous like morphology of SnO2 photocatalyst was successfully confirmed using SEM micrographs and TEM. In addition to this the photocatalytic activity was evaluated towards the degradation of methylene blue dye solution. SnO2 photocatalyst annealed at 600 degrees C exhibits excellent photocatalytic efficiency which may be attributed to the unique morphology, high crystalline nature and charge separation. The photocatalyst efficiency was further tested towards the concentration of dye, catalyst dosage and pH of the dye. The involvement of center dot OH in the photocatalytic reaction was evidenced using trapping experiment by employing different scavengers. The photocatalyst was moderately active, stable upto its fifth usage and stability of the photocatalyst before and after the photocatalytic reaction was also been studied using XRD and SEM.}, doi = {10.1080/17458080.2016.1188222}, author = {Prakash, K. and Kumar, P. Senthil and Pandiaraj, S. and Saravanakumar, K. and Karuthapandian, S.} } @article { ISI:000380296000007, title = {Controlled synthesis of end-functionalized mannose-6-phosphate glycopolypeptides for lysosome targeting}, journal = {ACS Macro Letters}, volume = {5}, number = {7}, year = {2016}, month = {JUL}, pages = {809-813}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The ubiquitous expression of the mannose-6-phosphate receptor on the majority of human cells makes it a valid target in the quest to deliver therapeutics selectively to the lysosome. In this work end-functionalized polyvalent mannose-6-phosphate glycopolypeptides (M6P-GPs) with high molecular weights (up to 22 kDa) have been synthesized via NCA polymerization. These synthetic M6P-GPs were found to display minimal toxicity to cells in vitro and show exceptional selectivity for trafficking into lysosomes in various cell lines. Comparison of the cellular uptake behavior of M6P-GP and the corresponding mannose-GP polymer reveals that incorporation of the phosphate moiety at the 6-position of mannose completely alters its trafficking behavior and becomes exclusively lysosome specific. We also demonstrate that trafficking of M6P-GPs in mammalian cells is likely associated with the CI-MPR receptor pathway.
}, issn = {2161-1653}, doi = {10.1021/acsmacrolett.6b00297}, author = {Das, Soumen and Parekh, Nimisha and Mondal, Basudeb and Sen Gupta, Sayam} } @article { ISI:000370005300013, title = {Convenient synthesis of alpha,alpha {\textquoteleft}- homo- and alpha,alpha {\textquoteleft}-hetero-bifunctionalized poly(epsilon-caprolactone)s by ring opening polymerization: the potentially valuable precursors for miktoarm star copolymers}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {54}, number = {6}, year = {2016}, month = {MAR}, pages = {844-860}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Two new ring opening polymerization (ROP) initiators, namely, (3-allyl-2-(allyloxy)phenyl)methanol and (3-allyl-2-(prop-2-yn-1-yloxy)phenyl)methanol each containing two reactive functionalities viz. allyl, allyloxy and allyl, propargyloxy, respectively, were synthesized from 3-allylsalicyaldehyde as a starting material. Well defined -allyl, -allyloxy and -allyl, -propargyloxy bifunctionalized poly(epsilon-caprolactone)s with molecular weights in the range 4200-9500 and 3600-10,900 g/mol and molecular weight distributions in the range 1.16-1.18 and 1.15-1.16, respectively, were synthesized by ROP of epsilon-caprolactone employing these initiators. The presence of -allyl, -allyloxy and -allyl, -propargyloxy functionalities on poly(epsilon-caprolactone)s was confirmed by FT-IR, H-1, C-13 NMR spectroscopy, and MALDI-TOF analysis. The kinetic study of ROP of epsilon-caprolactone with both the initiators revealed the pseudo first order kinetics with respect to epsilon-caprolactone consumption and controlled behavior of polymerization reactions. The usefulness of -allyl, -allyloxy functionalities on poly(epsilon-caprolactone) was demonstrated by performing the thiol-ene reaction with poly(ethylene glycol) thiol to obtain (mPEG)(2)-PCL miktoarm star copolymer. -Allyl, -propargyloxy functionalities on poly(epsilon-caprolactone) were utilized in orthogonal reactions i.e copper catalyzed alkyne-azide click (CuAAC) with azido functionalized poly(N-isopropylacrylamide) followed by thiol-ene reaction with poly(ethylene glycol) thiol to synthesize PCL-PNIPAAm-mPEG miktoarm star terpolymer. The preliminary characterization of A(2)B and ABC miktoarm star copolymers was carried out by H-1 NMR spectroscopy and gel permeation chromatography (GPC). (c) 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 844-860
}, keywords = {3-allylsalicyaldehyde, alpha {\textquoteleft}-allyloxy and alpha-allyl, alpha {\textquoteleft}-propargyloxy bifunctionalized poly (epsilon-caprolactone)s, alpha-allyl, atom transfer radical polymerization, orthogonal reactions, ring-opening polymerization, star copolymers}, issn = {0887-624X}, doi = {10.1002/pola.27924}, author = {Patil, Sachin S. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article {45827, title = {Coordination polymers of Fe(III) and Al(III) ions with TCA ligand: distinctive fluorescence, CO2 uptake, redox-activity and oxygen evolution reaction}, journal = {Dalton Transactions}, volume = {45}, year = {2016}, month = {FEB}, pages = {6901-6908}, type = {Article}, abstract = {
Fe and Al belong to different groups in the periodic table, one from the p-block and the other from the d-block. In spite of their different groups, they have the similarity of exhibiting a stable 3+ oxidation state. Here we have prepared Fe(III) and Al(III) based coordination polymers in the form of metal-organic gels with the 4,4{\textquoteright}, 4 {\textquoteleft}{\textquoteright}-tricarboxyltriphenylamine (TCA) ligand, namely Fe-TCA and Al-TCA, and evaluated some important physicochemical properties. Specifically, the electrical conductivity, redox-activity, porosity, and electrocatalytic activity (oxygen evolution reaction) of the Fe-TCA system were noted to be remarkably higher than those of the Al-TCA system. As for the photophysical properties, almost complete quenching of the fluorescence originating from TCA was observed in case of the Fe-TCA system, whereas for the Al-TCA system a significant retention of fluorescence with red-shifted emission was observed. Quantum mechanical calculations based on density functional theory (DFT) were performed to unravel the origin of such discriminative behaviour of these coordination polymer systems.
}, issn = {1477-9226}, doi = {10.1039/c6dt00009f}, author = {Dhara, Barun and Sappati, Subrahmanyam and Singh, Santosh K. and Kurungot, Sreekumar and Ghosh, Prasenjit and Ballav, Nirmalya} } @article {43006, title = {Copolymers comprising monomers with various dipole and quadrupole as active material in organic field effect transistors}, journal = {Journal of Physical Chemistry C}, volume = {120}, year = {2016}, month = {NOV}, pages = {26199-26205}, abstract = {
Copolymers of 4,4-difluoro-4-borata-3a-azonia-4a-aza-s-indacene (BODIPY) and diketopyrrolopyrrole (DPP) were synthesized. The BODIPY has a permanent dipole and the DPP has a quadrupole. The dipole and the quadrupole in the monomers are expected to bring the polymers closer and to improve the charge-transport properties. By judicious choice of these monomers, the electron wave function is evenly distributed through the molecules. However, we notice that the torsional angle at the connecting point of BODIPY and DPP is a function of the methyl moieties at the beta,beta{\textquoteright} position of the BODIPY. We found that the polymer comprising DPP and BODIPY without methyl moiety at beta,beta{\textquoteright} position showed a torsional angle of 27, the lowest among the three polymers studied in this work. The absorption spectrum of the polymer showed transitions because of vibronic coupling indicating linearity along the polymer backbone. The band gap of the polymer was found to be 1.2 eV. The thermally stable polymer showed an ambipolar charge transport of 0.01 cm(2)/(V s).
}, doi = {10.1021/acs.jpcc.6b08225}, author = {Singh, Saumya and Chithiravel, Sundaresan and Krishnamoorthy, Kothandam} } @article { ISI:000375631300006, title = {Correlating Nitrile IR frequencies to local electrostatics quantifies noncovalent interactions of peptides and proteins}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {17}, year = {2016}, month = {MAY}, pages = {4034-4046}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Noncovalent interactions, in particular the hydrogen bonds and nonspecific long-range electrostatic interactions are fundamental to biomolecular functions. A molecular understanding of the local electrostatic environment, consistently for both specific (hydrogen-bonding) and nonspecific electrostatic (local polarity) interactions, is essential for a detailed understanding of these processes. Vibrational Stark Effect (VSE) has proven to be an extremely useful method to measure the local electric field using infrared spectroscopy of carbonyl and nitrile based probes. The nitrile chemical group would be an ideal choice because of its absorption in an infrared spectral window transparent to biomolecules, ease of site-specific incorporation into proteins, and common occurrence as a substituent in various drug molecules. However, the inability of VSE to describe the dependence of IR frequency on electric field for hydrogen-bonded nitriles to date has severely limited nitrile{\textquoteright}s utility to probe the noncovalent interactions. In this work, using infrared spectroscopy and atomistic molecular dynamics simulations, we have reported for the first time a linear correlation between nitrile frequencies and electric fields in a wide range of hydrogen-bonding environments that may bridge the existing gap between VSE and H-bonding interactions. We have demonstrated the robustness of this field-frequency correlation for both aromatic nitriles and sulfur-based nitriles in a wide range of molecules of varying size and compactness, including small molecules in complex solvation environments, an amino acid, disordered peptides, and structured proteins. This correlation, when coupled to VSE, can be used to quantify noncovalent interactions, specific or nonspecific, in a consistent manner.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b02732}, author = {Deb, Pranab and Haldar, Tapas and Kashid, Somnath M. and Banerjee, Subhrashis and Chakrabarty, Suman and Bagchi, Sayan} } @article { ISI:000373408600014, title = {Correlating the role of hydrophilic/hydrophobic nature of Rh(I) and Ru(II) supported organosilica/silica catalysts in organotransformation reactions}, journal = {Applied Catalysis A-General}, volume = {513}, year = {2016}, month = {MAR}, pages = {138-146}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Highly reactive and hydrophobic triphenyl phosphine based rhodium(I) and ruthenium(II) organometallic complexes over benzene containing periodic mesoporous organosilica (PMOB) have been synthesized. This has been achieved by the immobilization of neat metal complexes like RhCl(PPh3)(3) [Wilkinson catalyst], RuHCl(CO)(PPh3)(3) and RuCl2(PPh3)(3) over aminofunctionalized PMOB to get RhCl(PPh3)(2)-PrNH2PMOB, RuHCl(CO)(PPh3)(2)-PrNH2PMOB and RuCl2(PPh3)(3)-PrNH2PMOB, respectively. The physico-chemical properties of the functionalized catalysts were analyzed by elemental analysis, ICP-OES, XRD, N-2 sorption analyses, FT-IR, solid state C-13 and Si-29 NMR spectra, XPS, SEM, TEM and contact angle measurements. The XRD and N-2 sorption analyses showed excellent textural properties with ordered mesoporous channel structure of all synthesized catalysts. The organic moieties anchored in PMOB were confirmed by C-13 CPMAS NMR and Fr-IR spectroscopy with Si-29 CPMAS NMR spectroscopy providing the information about the degree of functionalization of surface silanol groups with organic moiety. The Rh(I) and Ru(II) complexes supported on MCM-41/SBA-15/PMOE (ethane-PMO) were synthesized, and their catalytic activities in hydrogenation and sulfoxidation reactions were compared with Rh(I) and Ru(II) complexes supported on PMOB. The results show that PMOB based catalysts exhibit higher activities and selectivities than MCM-41/SBA-15/PMOB supported catalysts, neat homogeneous complexes and without catalyst. The better catalytic performance of PMOB based catalyst is attributed to the hydrophobic nature and high surface area of the PMOB support. The recycling studies of anchored catalysts show no major deactivation of the catalyst. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Heterogeneous catalysts, Hydrogenation and sulfoxidation, Hydrophobic, Periodic mesoporous organosilica}, issn = {0926-860X}, doi = {10.1016/j.apcata.2015.12.026}, author = {Lazar, Anish and George, Shoy C. and Jithesh, P. R. and Vinod, C. P. and Singh, A. P.} } @article {45645, title = {Counteranion driven homochiral assembly of a cationic C-3-symmetric gelator through ion-pair assisted hydrogen bond}, journal = {Journal of the American Chemical Society}, volume = {138}, year = {2016}, month = {SEP }, pages = {11113-11116}, type = {Article}, abstract = {
The helical handedness in achiral self-assemblies is mostly complex due to spontaneous symmetry breaking or kinetically controlled random assembly formation. Here an attempt has been made to address this issue through chiral anion exchange. A new class of cationic achiral C-3-symmetric gelator devoid of any conventional gelation assisting functional units is found to form both right-and left-handed helical structures. A chiral counteranion exchange-assisted approach is successfully introduced to control the chirality sign and thereby to obtain preferred homochiral assemblies. Formation of anion-assisted chiral assembly was confirmed by circular dichroism (CD) spectroscopy, microscopic images, and crystal structure. The X-ray crystal structure reveals the construction of helical assemblies with opposite handedness for (+)- and (-)-chiral anion reformed gelators. The appropriate counteranion driven ion-pair-assisted hydrogen-bonding interactions are found responsible for the helical bias control in this C-3-symmetric gelator.
}, issn = {0002-7863}, doi = {10.1021/jacs.6b06312}, author = {Maity, Arunava and Gangopadhyay, Monalisa and Basu, Arghya and Aute, Sunil and Babu, Sukumaran Santhosh and Das, Amitava} } @article { ISI:000367840400003, title = {Crosslinked polymer embedded Cu/Ag for comparative drug adsorption and kinetics evaluation}, journal = {International Journal of Polymeric Materials and Polymeric Biomaterials}, volume = {65}, number = {6}, year = {2016}, month = {JAN}, pages = {285-293}, publisher = {TAYLOR \& FRANCIS AS}, address = {KARL JOHANS GATE 5, NO-0154 OSLO, NORWAY}, abstract = {
Two-dimensional crosslinked polymer (2-DCP) was synthesized for evaluation of drug adsorption and kinetics thereof. Further, polymer properties were evaluated and parameters such as contact time and adsorption isotherm were also studied. Herein, contact time demonstrated 83\% and 85\% of drug loading in an acidic medium for two-dimensional crosslinked polymer embedded copper and silver (2-DCP-Cu/Ag), respectively in 24h. Initial 4h is the exponential drug loading period whereas drug loading was increased gradually after 4h. Salbutamol loading was well-fitted to Langmuir adsorption isotherm, which indicated a monolayer drug adsorption with respect to 2-DCP-Cu/Ag. Pseudo first- and pseudo second-order kinetics was evaluated to perceive the drug adsorption mechanism and equilibrium adsorption capacity. Monolayer drug adsorption with chemisorption mechanism was observed for 2-DCP-Cu/Ag. In addition to this, decomposition temperature of polymer was 440 and 325 degrees C while glass transition temperature of polymer was 280 and 200 degrees C before and after metal modification, respectively. (A=aqueous phase; B=organic phase; C=drug solution; D=drug loaded polymer; E=enlarged drug loaded polymer.) [GRAPHICS] .
}, keywords = {Adsorption isotherm, adsorption kinetics, crosslink polymer, drug loading, langmuir adsorption isotherm, salbutamol}, issn = {0091-4037}, doi = {10.1080/00914037.2015.1119684}, author = {Mane, Sachin and Ponrathnam, Surendra and Chavan, Nayaku} } @article {42631, title = {Crystal engineering of a zwitterionic drug to neutral cocrystals: a general solution for floxacins}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {SEP}, pages = {12610-12613}, abstract = {
The transformation of zwitterionic Sparfloxacin (SPX) to the neutral form is achieved by cocrystallization. Neutral forms of drugs are important for higher membrane permeability, while zwitterions are more soluble in water. The twin advantages of higher solubility/dissolution rate and good stability of neutral SPX are achieved in a molecular cocrystal compared to its zwitterionic SPX hydrate. The amine-phenol supra-molecular synthon drives cocrystal formation, with the paraben ester acting as a "proton migrator{\textquoteright}{\textquoteright} for the ionic to neutral transformation.
}, doi = {10.1039/c6cc06627e}, author = {Gunnam, Anilkumar and Suresh, Kuthuru and Ganduri, Ramesh and Nangia, Ashwini} } @article { ISI:000381052600004, title = {Crystal structure, computational studies, and stereoselectivity in the synthesis of 2-aryl-thiazolidine-4-carboxylic acids via insitu imine intermediate}, journal = {Journal of Sulfur Chemistry}, volume = {37}, number = {4}, year = {2016}, month = {MAR}, pages = {401-425}, publisher = {TAYLOR \& FRANCIS LTD}, address = {2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND}, abstract = {
This article presents the synthesis of (2R/2S,4R)-2-aryl-thiazolidine-4-carboxylic acids via nucleophilic addition of L-Cysteine on aromatic aldehydes involving a yield and time-effective room temperature reaction in an aqueous DMSO medium in the presence of NaHCO3 as a base. The synthesized diastereomers were spectroscopically characterized and quantified for diastereomeric excess by liquid chromatography-mass spectrometry analysis. The impact of the type and position of substituent in aromatic aldehydes on reaction time, \% yield, H-1 NMR shift at newly formed chiral center [C(2)-H], and diastereomeric excess (de\%) have been investigated. A plausible mechanism for stereoselectivity via an in situ imine intermediate is proposed using real-time IR monitoring of the synthetic reaction based on the significant signals at 1597, 1593cm(-1) for imine (C=N) stretching. The imine mechanism for stereoselectivity was further supported by NMR studies of azomethine C-13 NMR signals at 159, 160ppm and by the single crystal structure of hitherto unknown (2S,4R)-3-(tert-butoxycarbonyl)-2-(2-hydroxyphenyl)thiazolidine-4-carbox ylic acid (3a) obtained as a major diastereomer in the synthesis of the butyloxy carbonyl (BOC) derivative of (2R/2S,4R)-2-(2-hydroxyphenyl)thiazolidine-4-carboxylic acid. The significant ortho-OH effect of phenolic hydroxyl group leading to strong hydrogen bondings plays a vital role in the formation of 2S,4R BOC derivative stereoselectively. The frontier molecular orbitals, possible electronic excitations, IR band characterizations, and reactivity parameters of newly reported compound (3a) have been predicted using quantum chemical descriptors from density functional theory. The theoretical exploration of experimental spectra using time-dependent DFT indicated a (-*) transition between HOMO and LUMO in the ultraviolet region.
}, keywords = {2-aryl-thiazolidine-4-carboxylic acids, density function theory, frontier molecular orbitals, imine intermediate, X-ray crystal structure}, issn = {1741-5993}, doi = {10.1080/17415993.2016.1156116}, author = {Jagtap, Rohidas M. and Rizvi, Masood A. and Dangat, Yuvraj B. and Pardeshi, Satish K.} } @article { ISI:000377466600023, title = {Crystallization kinetics for carbon dioxide gas hydrate in fixed bed and stirred tank reactor}, journal = {Korean Journal of Chemical Engineering}, volume = {33}, number = {6}, year = {2016}, month = {JUN}, pages = {1922-1930}, publisher = {KOREAN INSTITUTE CHEMICAL ENGINEERS}, address = {F.5, 119, ANAM-RO, SEONGBUK-GU, SEOUL 136-075, SOUTH KOREA}, abstract = {
The phase change from germ nuclei to growth nuclei and subsequent volume transformation in a crystallization process was modeled by Avrami equations. The phase change during the hydrate formation was fitted with the classical Avrami model by utilizing gas uptake data. The idea is to understand the difference in growth behavior of hydrate crystals when in small pores compared to a stirred tank reactor which does not pose any physical restrictions to hydrate growth. The parameters n and k of the Avrami equation were determined explicitly for CO2 hydrate formation.
}, keywords = {Avrami Equation, CO2 Capture \& Sequestration, Fixed Bed, Gas hydrates, kinetics}, issn = {0256-1115}, doi = {10.1007/s11814-016-0040-7}, author = {Kumar, Asheesh and Khatri, Dishant and Lee, Ju Dong and Kumar, Rajnish} } @article {43627, title = {Cu-Catalyzed iminative hydroolefination of unactivated alkynes en route to 4-imino-tetrahydropyridines and 4-aminopyridines}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {OCT}, pages = {13475-13478}, abstract = {A general method for synthesizing 4-imino tetrahydropyridine derivatives is achieved, from readily available beta-enaminones and sulfonyl azides, which comprises a sequential copper catalyzed ketenimine formation and its hitherto inaccessible intramolecular hydrovinylation. The products are shown as ready precursors for highly valuable 4-sulfonamidopyridine derivatives via DDQ mediated oxidation.}, doi = {10.1039/c6cc08081b}, author = {Kumar, Ravi and Thorat, Shridhar H. and Reddy, Maddi Sridhar} } @article { ISI:000366864700006, title = {Cu-catalyzed sequential C-N bond formations: expeditious synthesis of tetracyclic indoloindol-3-ones}, journal = {Organic Chemistry Frontiers}, volume = {3}, number = {1}, year = {2016}, month = {NOV}, pages = {43-46}, publisher = {CHINESE CHEMICAL SOC}, address = {PO BOX 1-18, NANKANG, TAIPEI 115, TAIWAN}, abstract = {
The tetracyclic indoloindol-3-one core has been forged from easily accessible 2,2{\textquoteright}-bis-bromochalcones employing a reaction cascade comprising Cu-catalyzed SNAr with azide; nitrene C-H insertion and intramolecular Ullmann reaction with all three C-N bond formations in one-go.
}, issn = {2052-4129}, doi = {10.1039/c5qo00248f}, author = {Kulkarni, Anand M. and Srinivas, Kolluru and Deshpande, Mukund V. and Ramana, Chepuri V.} } @article {43014, title = {Culture conditions for the production of thermostable lipase by thermomyces lanuginosus}, journal = {Journal of Basic and Applied Sciences}, year = {2016}, month = {NOV}, abstract = {
In the present investigation lipase production by three strains of thermophilic Thermomyces lanuginosus (GSLMBKU-10, GSLMBKU-13 and GSLMBKU-14) was carried out in submerged fermentation process. Olive oil and triacetin (0.1\%) were added to the basal medium, which stimulated the lipase production. The maximum lipase was produced by GSLMBKU-10 and GSLMBKU-13 in yeast extract starch medium supplemented with triacetin (0.1\%). The optimum pH was recorded at 6.0, 6.5 and 7.0 by GSLMBKU-10, GSLMBKU-13 and GSLMBKU-14 respectively. T. lanuginosus GSLMBKU-10 strains failed to produce lipase at pH 8.0. The optimum temperature for lipase production was observed at 45 {\textdegree}C by GSLMBKU-14 and GSLMBKU-10, while that for GSLMBKU-13 was at 50 {\textdegree}C. The marginal temperature ranged from 45 {\textdegree}C to 50 {\textdegree}C for both lipase production and vegetative growth by the three strains of T. lanuginosus under study. In conclusion, the GSLMBKU-13 strain was comparatively superior in the production of lipase than the other two strains under investigation.
}, doi = {10.1016/j.bjbas.2016.11.010}, author = {Sreelatha, B. and Vankudoth, Koteswara Rao and Kumar, R. Ranjith and Girisham, Sivadevuni and Reddy, S. M.} } @article {43622, title = {Cutaneous exposure to clinically-relevant pigeon pea (Cajanus cajan) proteins promote T(H)2-dependent sensitization and IgE-mediated anaphylaxis in Balb/c mice}, journal = {Journal of Immunotoxicology}, volume = {13}, year = {2016}, month = {JAN}, pages = {827-841}, abstract = {Epicutaneous (EC) sensitization to food allergens may occur when the skin has been lightly damaged. The study here tested whether cutaneous exposure to pigeon pea protein(s) may cause allergic sensitization. BALB/c mice were either orally gavaged or epicutaneously sensitized by repeated application of pigeon pea crude protein extract (CPE) on undamaged areas of skin without any adjuvant; afterwards, both groups were orally challenged with the pigeon pea CPE. Anaphylactic symptoms along with measures of body temperature, MCPT-1, TSLP, pigeon pea-specific IgE and IgG(1), myeloperoxidase (MPO) activity, T(H)2 cytokines, T(H)2 transcription factors (TFs) and filaggrin expression were determined. Mast cell staining, eosinophil levels and histopathological analysis of the skin and intestines were also performed. In the epicutaneously-sensitized mice, elevated levels of specific IgE and IgG(1), as well as of MCPT-1, TSLP, T(H)2 cytokines and TFs, higher anaphylactic scores and histological changes in the skin and intestine were indicative of sensitization ability via both routes in the pigeon pea CPE-treated hosts. Elevated levels of mast cells were observed in both the skin and intestine; increased levels of eosinophils and MPO activity were noted only in the skin. Decreased levels of filaggrin in skin may have played a key role in the skin barrier dysfunction, increasing the chances of sensitization. Therefore, the experimental data support the hypothesis that in addition to oral exposure, skin exposure to food allergens can promote T(H)2-dependent sensitization, IgE-mediated anaphylaxis and intestinal changes after oral challenge. Based on this, an avoidance of cutaneous exposures to allergens might prevent development of food anaphylaxis.}, doi = {10.1080/1547691X.2016.1205159}, author = {Gupta, Rinkesh Kumar and Kumar, Sandeep and Gupta, Kriti and Sharma, Akanksha and Roy, Ruchi and Verma, Alok Kumar and Chaudhari, Bhushan P. and Das, Mukul and Ansari, Irfan Ahmad and Dwivedi, Premendra D.} } @article {43405, title = {Cysteine-specific fluorescent switch for monitoring oxidative stress and quantification of aminoacylase-1 in blood serum}, journal = {Analytical Chemistry}, volume = {88}, year = {2016}, month = {DEC}, pages = {12161-12168}, doi = {10.1021/acs.analchem.6b03066}, author = {Anila, H. A. and Ali, Firoj and Kushwaha, Shilpi and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @article {45849, title = {Data of in vitro synthesized dsRNAs on growth and development of helicoverpa armigera}, journal = {Data in Brief}, volume = {7}, year = {2016}, month = {JUN}, pages = {1602-1605}, type = {Article}, abstract = {The data presented in this article is related to the research article "RNAi of selected candidate genes interrupts growth and development of Helicoverpa armigera" (Chikate et al., 2016) [1]. RNA interference (RNAi) is emerging as a potent insect pest control strategy over current methods and their resistance by pest. In this study we tested 15 different in vitro synthesized dsRNAs for gene silencing in Helicoverpa armigera. These dsRNAs were specific against H. armigera enzymes/proteins such as proteases like trypsins (HaTry2, 3, 4 and 6), chymotrypsin (HaChy4) and cysteine proteases such as cathepsin (HaCATHL); glutathione S-transferases (HaGST1a, 6 and 8); esterases (HaAce4, HaJHE); catalase (HaCAT); super-oxide-dismutase (HaCu/ZnSOD); fatty acid binding protein (HaFabp) and chitin deacetylase (HaCda5b). These dsRNAs were fed to second instar larvae at an optimized dose (60 μg/day) for 3 days separately. Effects of dsRNA feeding were observed in terms of larval mass gain, percentage mortality and phenotypic abnormalities in later developmental stages of H. armigera. These findings might provide potential new candidates for designing sequence-specific dsRNA as pesticide in crop protection. }, doi = {10.1016/j.dib.2016.04.026}, author = {Chikate, Y. R. and Dawkar, V. V. and Barbole, R. S. and Tilak, P. V. and Gupta, V. S. and Giri, A. P.} } @article {45850, title = {Data on changes in the fatty acid composition during fruit development and ripening of three mango cultivars (Alphonso, Pairi and Kent) varying in lactone content}, journal = {Data in Brief}, volume = {9}, year = {2016}, month = {DEC}, pages = {480-491}, type = {Article}, abstract = {Data in this article presents fatty acid composition of three mango cultivars; Alphonso, Pairi and Kent through fruit development and ripening. Change in the ω-6 and ω-3 fatty acids level during mango fruit development and ripening is depicted. Also, data on aroma volatile {\textquoteleft}lactones{\textquoteright} composition from pulp and skin tissues of these cultivars at their ripe stage, respectively is provided. Statistical data is also shown, which correlates modulation in lactone content with that of fatty acid composition and content during fruit development and ripening in all the three mango cultivars.}, doi = {10.1016/j.dib.2016.09.018}, author = {Deshpande, A. B. and Chidley, H. G. and Oak, P. S. and Pujari, K. H. and Giri, A. P. and Gupta, V. S.} } @article {43030, title = {Decoding the morphological diversity in two dimensional crystalline porous polymers by core planarity modulation}, journal = {Angewandte Chemie - International Edition}, volume = {55}, year = {2016}, month = {JUN}, pages = {7806-7810}, doi = {10.1002/anie.201600087}, author = {Halder, Arjun and Kandambeth, Sharath and Biswal, Bishnu P. and Kaur, Gagandeep and Roy, Neha Chaki and Addicoat, Matthew A. and Salunke, Jagadish K. and Banerjee, Subhrashis and Vanka, Kumar and Heine, Thomas and Verma, Sandeep and Banerjee, Rahul} } @article {43623, title = {Design and fabrication of mechanically strong nano-matrices of linseed oil based polyesteramide blends}, journal = {Medchemcomm}, volume = {7}, year = {2016}, month = {SEP}, pages = {2299-2308}, abstract = {New nanomaterials of bio-origin with improved mechanical properties are in demand for biomedical application. Therefore, we propose to design and fabricate bioactive nano-matrices with good mechanical strength using polyesteramides derived from linseed oil. Polyesteramide was synthesized from linseed oil and blended with poly(L-lactide) and human serum albumin to enhance the mechanical strength, biodegradation, biocompatibility and hydrophilicity. The various blend solutions with and without drugs (triclosan and metronidazole) were electrospun into non-woven nano-matrices. The morphology of the nano-matrices represented smooth and fine nanofibers with the diameter ranging from 300 to 400 nm. Drug binding efficiency, cytotoxicity, hydrophilicity, thermal and mechanical studies indicated their suitability as biomaterials. To demonstrate their utility, the drug release kinetics and antibacterial properties were evaluated. The metronidazole loaded nano-matrices showed drug release up to 8 h, beyond which no release was observed until 72 h. Antibacterial studies were done using the drugs triclosan and metronidazole. The antibacterial activity of the drug loaded nanofiber mats increased with the increase in drug concentration. The uniqueness of the developed nano-matrices of polyesteramide blends is that their mechanical strength is 3-fold higher than that of the nano-matrices of poly(L-lactide), which is one of the essential features of these nano-matrices to be used as a biomaterial for biomedical applications.}, doi = {10.1039/c6md00380j}, author = {Killi, Naresh and Dhakare, Runali Arjun and Singam, Amarnath and Lokanadham, Metta and Chitikeshi, Harshavardhan and Gundloori, Rathna Venkata Naga} } @article {42942, title = {Design, synthesis and biological evaluation of novel azaspiro analogs of linezolid as antibacterial and antitubercular agents}, journal = {European Journal of Medicinal Chemistry}, volume = {122}, year = {2016}, month = {OCT}, pages = {475-487}, abstract = {
The design, synthesis and antimicrobial evaluation of a novel series of azaspiro analogues of linezolid (1) have been described. Linezolid comprises of a morpholine ring which is known for its metabolism related liabilities. Therefore, the key modification made in the linezolid structure was the replacement of morpholine moiety with its bioisostere, 2-oxa-6-azaspiro[3.3]heptane. Furthermore, the replacement of N-acetyl terminal of 1 with various aromatic or aliphatic functionalities was carried out. The title compounds were evaluated against a panel of Gram-positive and Gram-negative bacteria and Mycobacterium tuberculosis. Subsequent structure-activity relationship (SAR) studies identified several compounds with mixed antibacterial and antitubercular profiles. Compound 22 (IC50 0.72, 0.51, 0.88, 0.49 mu g/mL for Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus subtilis, respectively) exhibited similar antibacterial profile as I. The N-acetyl derivative 18 was similar to 1 in antitubercular profile. Thus, the present study successfully demonstrated the use of azaspiro substructure in the medicinal chemistry of antibacterial and antitubercular agents. (C) 2016 Elsevier Masson SAS. All rights reserved.
}, doi = {10.1016/j.ejmech.2016.07.001}, author = {Gadekar, Pradip K. and Roychowdhury, Abhijit and Kharkar, Prashant S. and Khedkar, Vijay M. and Arkile, Manisha A. and Manek, Hardik and Sarkar, Dhiman and Sharma, Rajiv and Vijayakumar, V. and Sarveswari, S.} } @article {43443, title = {Design, synthesis, and biological evaluation of novel fluorinated pyrazole encompassing pyridyl 1,3,4-oxadiazole motifs}, journal = {Medicinal Chemistry Research}, volume = {25}, year = {2016}, month = {NOV}, pages = {2698-2717}, abstract = {A rational approach was adopted for the synthesis of 1-(2-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl)-3-(aryl)prop-2-en-1-ones (5a-n) using conventional heating as well as microwave irradiation techniques. Compounds 5a-n were tested for their in vitro antimicrobial activity and cytotoxicity. Compounds 5g showed most potent antibacterial activity, while compound 5k emerged as the most effective antifungal agent. The most active compounds 5f, 5g, 5l, and 5m were also screened against methicillin-resistant Staphylococcus aureus. Among these compounds, 5g and 5m inhibited the growth against MRSA at low level of cytotoxicity. A binary quantitative structure-activity relationship based recursive partitioning model was developed to probe the physico-chemical properties influencing the structure-activity relationship for this class of molecules, which was used to correctly classify active and inactive compounds.}, doi = {10.1007/s00044-016-1683-y}, author = {Desai, Nisheeth C. and Kotadiya, Ghanshyam M. and Trivedi, Amit R. and Khedkar, Vijay M. and Jha, Prakash C.} } @article { ISI:000368264800002, title = {Detection of clostridium tetani in human clinical samples using tetX specific primers targeting the neurotoxin}, journal = {Journal of Infection and Public Health}, volume = {9}, number = {1}, year = {2016}, month = {JUL}, pages = {105-109}, publisher = {ELSEVIER SCIENCE LONDON}, address = {84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND}, abstract = {
Tetanus resulting from ear injury remains an important health problem, particularly in the developing world. We report the successful detection of Clostridium tetani using tetX specific primers targeting the Cl. tetani neurotoxin. The sample was obtained from an ear discharge of a case of otogenic tetanus in a 2-year-old male child. Based on the culture results of the ear discharge, Gram staining and virulence testing by genotyping, a diagnosis of tetanus was confirmed. This is the first report from India on the successful detection of Cl. tetani in a human clinical sample using tetX specific primers targeting the Cl. tetani neurotoxin. (C) 2015 King Saud Bin Abdulaziz University for Health Sciences. Published by Elsevier Limited. All rights reserved.
}, keywords = {Cl. tetani, Neurotoxin, Otogenic tetanus, Trismus}, issn = {1876-0341}, doi = {10.1016/j.jiph.2015.06.014}, author = {Ganesh, Madhu and Sheikh, Nasira K. and Shah, Pooja and Mehetre, Gajanan T. and Dharne, Mahesh S. and Nagoba, Basavraj S.} } @conference { ISI:000382147300038, title = {Development of genetic programming based softsensor model for styrene polymerization process and its application in model based control}, booktitle = {2016 Indian Control Conference (ICC)}, year = {2016}, note = {2nd Indian Control Conference (ICC), Indian Inst Technol, Hyderabad, INDIA, JAN 04-06, 2016}, month = {JAN}, pages = {238-244}, publisher = {IEEE Control Syst Soc; Honeywell; Mathworks; ABB R \& D Div; GE; Mahindra Ecole Centrale}, organization = {IEEE Control Syst Soc; Honeywell; Mathworks; ABB R \& D Div; GE; Mahindra Ecole Centrale}, address = {345 E 47th ST, New York, NY 10017 USA}, abstract = {
In recent years, soft sensors have been established as a valuable alternative to the traditional hardware sensors for the acquisition of critical information regarding {\textquoteleft}{\textquoteleft}difficult-to-measure{\textquoteright}{\textquoteright} process variables and/or parameters in chemical process monitoring and control. Soft sensors can also be modified as a novel process identification tool for process monitoring and model based control. Often, in polymer industries the main polymerization reaction is highly nonlinear and complex to model accurately by the conventional {\textquoteleft}{\textquoteleft}first principles{\textquoteright}{\textquoteright} approach. In such cases, genetic programming (GP)-a novel artificial intelligence-based exclusively data driven modeling technique-can be employed for process identification. In this work GP-based soft sensors have been developed for a continuous styrene polymerization reactor. The resulting GP-based models (soft sensor) showed high prediction and generalization performances. The best performing model was successfully utilized in designing a model predictive control (MPC) scheme for the polymerization reactor.
}, keywords = {Artificial intelligence, genetic programming, Model Predictive Control, process identification, Styrene Polymerization}, isbn = {978-1-4673-7993-9}, author = {Ghugare, Suhas B. and Tambe, Sanjeev S.} } @article { ISI:000372756700003, title = {DFT based assay for tailor-made terpyridine ligand-metal complexation properties}, journal = {Molecular Simulations}, volume = {42}, number = {8}, year = {2016}, month = {MAY}, pages = {618-627}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Electron-rich terpyridine ligand and its metal complexes have a potential to grow as responsive surfaces by adapting their physicochemical properties as a function of environment. The responsiveness is brought about by judicious molecular level designing that is currently hindered due to lack of information and control on terpyridine (TPy)-metal (M) interactions at single molecule level. So far there is no organised understanding on the binding of different metals with TPy ligand and ways to modulate it. Being a large conjugated [GRAPHICS] system, TPy has a large scope to be functionalised with electron exchanging groups to alter its electronic structure and consequently its binding with metal atoms. In first report of such a kind, using density functional theory (DFT), we demonstrate that convenient modulation of TPy-M binding is possible through functionalisation of TPy for [GRAPHICS] , Ru, Fe, Mo and Au. Electron donating groups viz., CH [GRAPHICS] , OCH [GRAPHICS] , C [GRAPHICS] H [GRAPHICS] , NH [GRAPHICS] and electron withdrawing groups viz., CF [GRAPHICS] , COOH, CN and NO [GRAPHICS] are considered for functionalisation of TPy ligand. Significantly, the present work focuses on the functionalisation at 4 and 4 [GRAPHICS] positions of TPy molecule. The role of such a functionalisation in influencing the ligands structure-property correlation is missing in the literature to the best of our knowledge. The present investigation quantifies that by pertinent functionalisation of TPy, TPy-M binding energies can be modified up to [GRAPHICS] 60kcal/mol. Our results reveal that functionalisation leads to a considerable charge redistribution within the TPy-M complex with carbon atoms in pyridine rings functioning as major electron sink/source with a corresponding red/blue shift of [GRAPHICS] stretching frequency. This modifies the red-ox, optical and other chemical properties of TPy-M complexes. In brief, the present report illustrates a way to design ligands such as TPy for diverse applications through tailor-made functionalisation using electronic structure methodology.
}, keywords = {Binding energy, charge redistribution, Density functional theory, functionalisation, Metal organic complexes, metal-ligand interactions, terpyridine}, issn = {0892-7022}, doi = {10.1080/08927022.2015.1067368}, author = {Joshi, Krati and Krishnamurty, Sailaja and Singh, Iksha and Selvaraj, Kaliaperumal} } @article { ISI:000370450600006, title = {Diastereoselective synthesis of beta-ether derivatives of artemisinin, an antimalarial drug: the effect of nitrile on stereoselectivity}, journal = {Asian Journal of Organic Chemistry}, volume = {5}, number = {2}, year = {2016}, month = {FEB}, pages = {201-206}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Malaria is a life-threatening disease affecting a major portion of the world{\textquoteright}s population with considerable loss of human life. Artemisinin, isolated from Artemisia annua, its oil- and water-soluble derivatives, and other known antimalarials are recommended for artemisinin combination therapy by the World Health Organization. We have established a method for the stereoselective synthesis of beta-ether derivatives of dihydroartemisinin in high yield and high diastereoselectivity. The reaction either in acetonitrile or dichloromethane/trichloroacetonitrile (6:1) mixtures at 0 degrees C or room temperature, respectively, furnished the antimalarial drugs artemether 3 or arteether 4 in high yield with a high diastereomeric ratio. The effect the nitrile has on the yield and stereoselectivity is mechanistically explained.
}, keywords = {antimalarials, arteethers, artemisinin, nitriles, trichloroacetimidates}, issn = {2193-5807}, doi = {10.1002/ajoc.201500415}, author = {Chand, Hemender R. and Bhattacharya, Asish K.} } @article { ISI:000376479400017, title = {Dietary flaxseed oil and fish oil ameliorates renal oxidative stress, protein glycation, and inflammation in streptozotocin-nicotinamide-induced diabetic rats}, journal = {Journal of Physiology and Biochemistry}, volume = {72}, number = {2}, year = {2016}, month = {JUN}, pages = {327-336}, publisher = {SERVICIO PUBLICACIONES UNIVERSIDAD NAVARRA}, address = {CAMPUS UNIV, CARRETERA DEL SADAR S-N, APARTADO 177, 31080 PAMPLONA, SPAIN}, abstract = {
Protective and prophylactic effects of omega-3 fatty acids on oxidative stress and inflammation are well known. We assessed beneficial effects of flaxseed oil and fish oil on streptozotocin (65 mg/kg; i.p.)-nicotinamide (110 mg/kg; i.p.) induced diabetic rats by studying renal expression of antioxidant and inflammatory genes. Diabetic rats given 10 \% flaxseed oil or 10 \% fish oil diet for 35 days showed significant decrease in renal lipid peroxidation. Flaxseed oil diet resulted in up-regulation of renal superoxide dismutase-1 (SOD-1) (activity and expression) and glutathione peroxidase-1 (GPx-1) expression. Furthermore, both diets up-regulated catalase (CAT) (activity and expression) and down-regulated heme oxygenase-1 (HO-1) expression. Both diets were able to limit the renal advanced glycation end products (AGEs) formation and reduced receptor of AGE (RAGE) protein expression significantly. Expressions of interleukin-6 (IL-6) and NF-kappa B p65 subunit were down-regulated significantly by flaxseed oil or fish oil diet. The histological tubular injuries were also lowered by both diets. These results suggest that dietary omega-3 fatty acids may slow the progression of diabetic nephropathy (DN) associated with oxidative stress, glycation, and inflammation in the kidney.
}, keywords = {Diabetes, Fish oil, Flaxseed oil, Glycation, Kidney, Streptozotocin}, issn = {1138-7548}, doi = {10.1007/s13105-016-0482-8}, author = {Jangale, Nivedita M. and Devarshi, Prasad P. and Bansode, Sneha B. and Kulkarni, Mahesh J. and Harsulkar, Abhay M.} } @article {43613, title = {Diethylamine-catalyzed environmentally benign synthesis of 1-oxo-hexahydroxanthenes and bis-coumarins at ambient temperature}, journal = {Research on Chemical Intermediates}, volume = {42}, year = {2016}, month = {JUL}, pages = {6313-6325}, abstract = {An extremely simple, economical and environmentally benign protocol has been described for one-pot synthesis of 1-oxo-hexahydroxanthenes by pseudo three-component condensation between salicylaldehydes and dimedone, cyclohexane-1,3dione or 5-methyl cyclohexane-1,3-dione using diethylamine as the catalyst. Based upon the mechanism of the reaction, the protocol has been extended towards the synthesis of tetraketones and bis-coumarins.}, doi = {10.1007/s11164-016-2464-4}, author = {Kupwade, Ravindra V. and Pandit, Kapil S. and Desai, Uday V. and Kulkarni, Makarand A. and Wadgaonkar, Prakash P.} } @article { ISI:000371228200017, title = {Differentiating process performance of various coagulants in removal of congo red and orange G dyes}, journal = {International Journal of Chemical Reactor Engineering}, volume = {14}, number = {1}, year = {2016}, month = {FEB}, pages = {195-211}, publisher = {WALTER DE GRUYTER GMBH}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {
Two refractory azo dyes-Congo red and Orange G, especially at high concentrations were subjected to coagulation with different conventional coagulants and newer formulations developed from Aluminum sulfate, Iron (III) chloride, Aluminium chloride, Poly diallydimethylammonium chloride (Poly DADMAC) and Poly Aluminium Chloride (PAC). The highest COD reduction of 99 \% was obtained with PAC SAB 18 (Powder Grade PAC) for Congo red at pH 4.5 while the color removal of 99 \% was achieved with almost all the coagulants in the present study at specific pH within 3-8. The optimum dose for the iron-based coagulant is 200 mg/L while that of aluminum-based coagulants and PAC is 150-200 mg/L. Results showed that Orange G was more difficult to remove with a maximum COD removal of 65 \% and 35 \% color removal using various formulations. The combinational formulations of inorganic-inorganic and inorganic- organic produced a substantial enhancement in COD and color removal and reduced sludge. PAC-Fe30/70 produces the minimum sludge of 50 mL/g on Congo red. pH in the range 3-9 showed high reductions in COD and color (90-99 \%) for Congo red while jerky rise in COD and color reduction was observed in the case of Orange G after pH 9. An attempt to understand the dye coagulation mechanism has been made based on the specific difference in dye structure and cation speciation.
}, keywords = {coagulation, Congo red, dye removal, Orange G, Wastewater treatment}, issn = {2194-5748}, doi = {10.1515/ijcre-2015-0083}, author = {Prajapati, Kavita and Sorokhaibam, Laxmi Gayatri and Bhandari, Vinay M. and Killedar, D. J. and Ranade, Vivek V.} } @article { ISI:000377891600014, title = {Direct synthesis of dimethyl carbonate from CO2 and methanol over CeO2 catalysts of different morphologies}, journal = {Journal of Chemical Sciences}, volume = {128}, number = {6}, year = {2016}, month = {JUN}, pages = {957-965}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
The direct synthesis of dimethyl carbonate (DMC) from carbon dioxide (CO2) and methanol is an attractive approach towards conversion of the greenhouse gas - CO2 into value-added chemicals and fuels. Ceria (CeO2) catalyzes this reaction. But the conversion efficiency of CeO2 is enhanced when the byproduct water in the reaction medium is separated by employing trapping agents like 2-cyanopyridine (2-CP). In this work, the influence of morphology of CeO2 on the direct synthesis of DMC in presence of 2-CP is reported. CeO2 catalysts of cube, rod, spindle and irregular morphology (Ce - C, Ce - R, Ce - S and Ce - N, respectively) were prepared, characterized and studied as catalysts in the said reaction conducted in a batch mode. Among all, Ce - S shows superior catalytic performance with nearly 100 mol\% of DMC selectivity. Catalytic activity correlates with the concentration of acid and base sites of medium strength as well as defect sites. Ce - S has an optimum number of these active sites and thereby shows superior catalytic performance.
}, keywords = {acid-base catalysis, ceria, CO2 utilization, Dimethyl carbonate, influence of morphology}, issn = {0974-3626}, doi = {10.1007/s12039-016-1094-0}, author = {Unnikrishnan, P. and Darbha, Srinivas} } @article { ISI:000371026700006, title = {Disassembly of micelles to impart donor and acceptor gradation to enhance organic solar cell efficiency}, journal = {Chemical Communications}, volume = {52}, number = {17}, year = {2016}, month = {JAN}, pages = {3486-3489}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A transparent, conducting and low surface energy surface was prepared by disassembly of anionic micelles, which altered the orientation of the donor polymer and imparted gradation between the donor and acceptor. This configuration increased the solar cell device efficiency.
}, issn = {1359-7345}, doi = {10.1039/c5cc09603k}, author = {Arulkashmir, Arulraj and Krishnamoorthy, Kothandam} } @article {45851, title = {Disinfection of water using vortex diode as hydrodynamic cavitation reactor}, journal = {Asian Journal of Chemistry}, volume = {28}, year = {2016}, month = {AUG}, pages = {1867-1870}, type = {Article}, abstract = {Hydrodynamic cavitation offers distinct advantages for water disinfection and wastewater treatment particularly at large scales of operations. Vortex Diode is a fluidic device, which is conventionally used as a leaky non-return valve in nuclear industry. Recently this device was shown to be effective hydrodynamic cavitation device. In the present study, we have investigated use of cavitation in vortex diode for water disinfection application. Escherichia coli contaminated water is treated successfully using vortex diode. The operating parameters desirable for the disinfection are investigated. The performance is evaluated based on the reduction in the colony forming unit (CFU/mL) of E. coli count estimated by standard spread plate method. The presented results will be useful for identifying appropriate operating conditions for using vortex diode to effectively reduce the bacterial load and disinfect water.}, doi = {10.14233/ajchem.2016.19991}, author = {Gaikwad, V. and Ranade, V.} } @article { ISI:000372848000021, title = {Disruption of native beta-turns: consequence of folding competition between native and orthanilic acid proline-based pseudo beta-turn}, journal = {European Journal of Organic Chemistry}, number = {7}, year = {2016}, month = {MAR}, pages = {1380-1388}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Five tetrapeptides comprising beta-turn-forming elements and a pseudo beta-turn (C9 H-bonding) based on an SAntPro (orthanilic acid - proline) motif were designed and synthesized. Their extensive conformational investigation by single-crystal X-ray crystallography, solution-state 2D NMR spectroscopic, and nOe-restrained MD simulation studies revealed the formation of C14 or C9 folding and disruption of the native beta-turn (C10 H-bonding) architecture. The striking difference between the psi(psi(2)) angle of {\textquoteleft}{\textquoteleft}i + 2{\textquoteright}{\textquoteright} residues of native beta-turn and designed peptides suggest that formation of the native beta-turn is not favored. The results suggest that other turn-forming motifs can dramatically modulate the stability of the native beta-turn structure.
}, keywords = {Conformation analysis, hydrogen bonds, Peptidomimetics, structure elucidation}, issn = {1434-193X}, doi = {10.1002/ejoc.201501558}, author = {Ingole, Tukaram S. and Vijayadas, Kuruppanthara N. and Chaitanya, K. N. and Kotmale, Amol S. and Gawade, Rupesh L. and Gonnade, Rajesh G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @conference {45852, title = {Diversity of arsenic resistant bacteria from Lonar lake: A meteorite impact alkaline crater lake in Indi}, booktitle = {Arsenic Research and Global Sustainability - Proceedings of the 6th International Congress on Arsenic in the Environment, AS 2016}, year = {2016}, month = {JUN}, publisher = {CRC Press/Balkema}, organization = {CRC Press/Balkema}, address = {Stockholm; Sweden}, abstract = {Lonar lake known for its meteorite impact origin and highly alkaline environment harbors a plethora of diverse organisms. Arsenic transforming microbe diversity from Lonar remains unexplored. We attempted to explore the microorganisms causing arsenic transformation using culture-dependent and independent approaches. Amongst the 67 microbes isolated, Bacillus infantis L4-18 and Bacillus solimangrovi L4-7b could oxidise 15 mM arsenite in 8 days. None of the cultures could reduce arsenate. All the other isolates resisted 2 mM arsenic. In the culture independent approach, microbial diversity revealed Bacteroides (41.9\%), followed by Proteobacteria (17.9\%), Firmicutes (14.2\%), Actinobacteria (13.9\%), occurring in the Lonar sediment sample. This study provides foundation to study microbial arsenic biogeochemical cycle along with other biochemical cycles and microbial function in Lonar lake eco system.}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85017026744\&origin=inward\&txGid=63266bcb17f730d2678898ea486dffa6}, author = {Bagade, A. V. and Paul, D. and Rikame, T. and Giri, A. P. and Dhotre, D. and Pawar, S. and Kodam, K.} } @article { ISI:000377374500003, title = {Does the position of the electron-donating nitrogen atom in the ring system influence the efficiency of a dye-sensitized solar cell? A computational study}, journal = {Journal of Molecular Modeling}, volume = {22}, number = {6}, year = {2016}, month = {JUN}, pages = {121}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
We have reported a number of new metal-free organic dyes (2-6) that have cyclic asymmetric benzotripyrrole derivatives as donor groups with peripheral nitrogen atoms in the ring, fluorine and thiophene groups as pi-spacers, and a cyanoacrylic acid acceptor group. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were employed to examine the influence of the position of the donor nitrogen atom and pi-conjugation on solar cell performance. The calculated electron-injection driving force (Delta G(inject)), electron-regeneration driving force (Delta G(regen)), light-harvesting efficiency (LHE), dipole moment (mu(normal)), and number of electrons transferred (Delta q) indicate that dyes 3, 4, and 6 have significantly higher efficiencies than reference dye 1, which exhibits high efficiency. We also extended our comparison to some other reported dyes, 7-9, which have a donor nitrogen atom in the middle of the ring system. The computed results suggest that dye 6 possesses a higher incident photon to current conversion efficiency (IPCE) than reported dyes 7-9. Thus, the use of donor groups with peripheral nitrogen atoms appears to lead to more efficient dyes than those in which the nitrogen atom is present in the middle of the donor ring system.
}, keywords = {DFT, Dye-sensitized solar cells, Organic dyes, Position effect, TD-DFT}, issn = {1610-2940}, doi = {10.1007/s00894-016-2976-2}, author = {Biswas, Abul Kalam and Barik, Sunirmal and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000374321000015, title = {Dr. V. Jagannathan (1921-2015) Obituary}, journal = {National Academy Science Letters-India}, volume = {39}, number = {2}, year = {2016}, month = {APR}, pages = {135-136}, publisher = {NATL ACAD SCIENCES INDIA}, address = {5 LAJPATRAI RD, ALLAHABAD 211002, INDIA}, issn = {0250-541X}, doi = {10.1007/s40009-016-0456-y}, author = {Rao, Mala and Deshpande, Vasanti and Ingle, Prabhakar} } @article {45854, title = {Draft genome sequence of arthrobacter enclensis NCIM 5488T for secondary metabolism}, journal = {Genome Announcements}, volume = {4}, year = {2016}, month = {JUN}, pages = {e00497-16}, type = {Article}, abstract = {Here, we report the draft genome sequence of Arthrobacter enclensis NCIM 5488T, an actinobacterium isolated from a marine sediment sample from Chorao Island, Goa, India. This draft genome sequence consists of 4,226,231 bp with a G+C content of 67.08\%, 3,888 protein-coding genes, 50 tRNAs, and 10 rRNAs. Analysis of the genome using bioinformatics tools such as antiSMASH and NaPDoS showed the presence of many unique natural product biosynthetic gene clusters.}, doi = {10.1128/genomeA.00497-16}, author = {Neurgaonkar, P. S. and Dharne, M. S. and Dastager, S. G.} } @article {43389, title = {Dynamic, reversible oxidative addition of highly polar bonds to a transition metal}, journal = {Journal of the American Chemical Society}, volume = {138}, year = {2016}, month = {DEC}, pages = {16140-16147}, abstract = {The combination of Pt complexes and indium trihalides leads to compounds that form equilibria in solution between their In X oxidative addition (OA) products (Pt indyl complexes) and their metal-only Lewis pair (MOLP) isomers (LnPt -> InX3). The position of the equilibria can be altered reversibly by changing the solvent, while the equilibria can be reversibly and irreversibly driven toward the MOLP products by addition of further donor ligands. The results mark the first observation of an equilibrium between MOLP and OA isomers, as well as the most polar bond ever observed to undergo reversible oxidative addition to a metal complex. In addition, we present the first structural characterization of MOLP and oxidative addition isomers of the same compound. The relative energies of the MOLP and OA isomers were calculated by DFT methods, and the possibility of solvent-mediated isomerization is discussed.}, doi = {10.1021/jacs.6b10609}, author = {Bertermann, Ruediger and Boehnke, Julian and Braunschweig, Holger and Dewhurst, Rian D. and Kupfer, Thomas and Muessig, Jonas H. and Pentecost, Leanne and Radacki, Krzysztof and Sen, Sakya S. and Vargas, Alfredo} } @article { ISI:000376882500147, title = {Dynamics of colonization and expression of pathogenicity related genes in fusarium oxysporum f.sp ciceri during chickpea vascular wilt disease progression}, journal = {Plos One}, volume = {11}, number = {5}, year = {2016}, month = {MAY}, pages = {Article Number: e0156490}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
Fusarium wilt caused by Fusarium oxysporum f.sp. ciceri (Foc) is a constant threat to chickpea productivity in several parts of the world. Understanding the molecular basis of chickpea-Foc interaction is necessary to improve chickpea resistance to Foc and thereby the productivity of chickpea. We transformed Foc race 2 using green fluorescent protein (GFP) gene and used it to characterize pathogen progression and colonization in wilt-susceptible (JG62) and wilt-resistant (Digvijay) chickpea cultivars using confocal microscopy. We also employed quantitative PCR (qPCR) to estimate the pathogen load and progression across various tissues of both the chickpea cultivars during the course of the disease. Additionally, the expression of several candidate pathogen virulence genes was analyzed using quantitative reverse transcriptase PCR (qRT-PCR), which showed their characteristic expression in wilt-susceptible and resistant chickpea cultivars. Our results suggest that the pathogen colonizes the susceptible cultivar defeating its defense; however, albeit its entry in the resistant plant, further proliferation is severely restricted providing an evidence of efficient defense mechanism in the resistant chickpea cultivar.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0156490}, author = {Upasani, Medha L. and Gurjar, Gayatri S. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article { ISI:000376330800049, title = {Earth abundant iron-rich N-doped graphene based spacer and cavity materials for surface plasmon-coupled emission enhancements}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {19}, year = {2016}, month = {MAY}, pages = {12324-12329}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We demonstrate for the first time the use of Fe based nanoparticles on N-doped graphene as spacer and cavity materials and study their plasmonic effect on the spontaneous emission of a radiating dipole. Fe-C-MF was produced by pyrolizing FeOOH and melamine formaldehyde precursor on graphene, while Fe-C-PH was produced by pyrolizing the Fe-phenanthroline complex on graphene. The use of the Fe-C-MF composite consisting of Fe-rich crystalline phases supported on N-doped graphene presented a spacer material with 116-fold fluorescence enhancements. On the other hand, the Fe-C-PH/Ag based cavity resulted in an 82-fold enhancement in Surface Plasmon-Coupled Emission (SPCE), with high directionality and polarization of Rhodamine 6G (Rh6G) emission owing to Casimir and Purcell effects. The use of a mobile phone as a cost-effective fluorescence detection device in the present work opens up a flexible perspective for the study of different nanomaterials as tunable substrates in cavity mode and spacer applications.
}, keywords = {Casimir effect, fluorescence enhancements, iron carbides, N-doped graphene, Purcell factor, surface plasmon-coupled emission}, issn = {1944-8244}, doi = {10.1021/acsami.5b12038}, author = {Srinivasan, Venkatesh and Vernekar, Dnyanesh and Jaiswal, Garima and Jagadeesan, Dinesh and Ramamurthy, Sai Sathish} } @article { ISI:000382818400001, title = {Editorial: actinobacteria in special and extreme habitats: diversity, function roles, and environmental adaptations}, journal = {Frontiers in Microbiology}, volume = {7}, year = {2016}, month = {SEP}, pages = {Article Number: 1415}, publisher = {FRONTIERS MEDIA SA}, address = {PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND}, keywords = {actinobacteria, activities, diversity, environmental adaptation, omics technologies, special and extreme environments}, issn = {1664-302X}, doi = {10.3389/fmicb.2016.01415}, author = {Qin, Sheng and Li, Wen-Jun and Dastager, Syed Gulam and Hozzein, Wael N.} } @article {43437, title = {Effect of additives on formation and decomposition kinetics of methane clathrate hydrates: application in energy storage and transportation}, journal = {Canadian Journal of Chemical Engineering}, volume = {94}, year = {2016}, month = {NOV}, pages = {2160-2167}, abstract = {Methane gas storage and transportation via clathrate hydrates is proposed to be a potential solution for large-scale energy storage. In this work, we study the formation and decomposition kinetics of methane hydrates (MH) in a laboratory-scale unstirred crystallizer. The present investigation demonstrates comparative studies of hydrate formation and dissociation kinetics in the presence of tetrahydrofuran (55.6 and 27.8mmol/mol, 5.56 and 2.78mol\% THF) and sodium dodecyl sulphate (1mg/g, 0.1wt\% SDS). Moreover, the storage capacity and hydrate formation kinetics in both the systems are discussed. In a recent work, enhanced methane hydrate growth in the presence of THF at close to atmospheric conditions was demonstrated. The emphasis of the current work is to study the stability of hydrates to understand dissociation kinetics by measuring the rate of hydrate decomposition at different temperatures. Hydrate stability measurements were performed at -8, -3, 2, 10, and 20 degrees C to study the decomposition rates of MH and self-preservation in presence of the two additives THF and SDS.}, doi = {10.1002/cjce.22583}, author = {Kumar, Asheesh and Kushwaha, Omkar Singh and Rangsunvigit, Pramoch and Linga, Praveen and Kumar, Rajnish} } @article { ISI:000367235100139, title = {Effect of different fixed bed media on the performance of sodium dodecyl sulfate for hydrate based CO2 capture}, journal = {Materials \& Design}, volume = {90}, year = {2016}, month = {JAN}, pages = {1186-1191}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Sodium Dodecyl Sulfate (SDS) is used as a kinetic promoter in gas hydrate formation. In this work, the performance of SDS for carbon dioxide gas hydrate formation in two different fixed bed media: silica sand and zeolite (5A and 13X) has been evaluated. The concentration of SDS was fixed at 0.5 wt\%. The experiments were carried out in batch mode with the initial pressure fixed at 3.0 MPa, and the temperature kept constant at 274.65 K. The results showed that hydrate of carbon dioxide with fixed bed of silica sand was significantly promoted by the addition of SDS as compared to the other fixed bed medium used in this study: zeolite 13X. (c) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon dioxide, Fixed bed media, Hydrate formation, Kinetic promoter, Silica sand, Zeolite 5A and 13X}, issn = {0261-3069}, doi = {10.1016/j.matdes.2015.06.049}, author = {Arora, Amit and Kumar, Asheesh and Bhattacharjee, Gaurav and Kumar, Pushpendra and Balomajumder, Chandrajit} } @article { ISI:000381232100028, title = {Effect of different temperature on structural, magnetic and dielectric properties of strontium hexaferrite powder synthesised using aloe vera plant extracts}, journal = {Advanced Science Letters}, volume = {22}, number = {4, SI}, year = {2016}, note = {3rd International Conference on Nanotechnology, Pune, INDIA, OCT 14-15, 2014}, month = {APR}, pages = {869-875}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
M-type SrFe12O19 hexaferrite particles synthesized using the aloe vera plant extract. Biological materials of microorganisms, plants, enzymes have been suggested as an ecological alternative for conventional reagents in physical and chemical methods. In present paper we report effect of temperature on structural, morphology, magnetic and dielectric properties of M-type SrFe12O19 particles synthesised by Green synthesis technique using Aloe vera plant extract. The metal nitrates (Sr and Fe) were dissolved in aloe vera extract solution and then mixture was kept in oil bath at 100 degrees C till it become dry. The obtain dried powder calcined in a wide temperature range, from 450 degrees C to 1150 degrees C for 4 hours in a static air atmosphere. The calcined powders were characterised using various instrumental techniques like Fourier transform infrared spectroscopy (FTIR) X-ray diffractometry (XRD), Scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), Vibrating Sample Magnetometry (VSM), and dielectric measurements. XRD, FTIR, SEM, Magnetic and dielectric measurements were carried out at room temperature. XRD analysis confirms the formation of mono phase of strontium hexaferrite at 1150 degrees C.
}, keywords = {Aloe Vera Extract, green synthesis, M-Type Hexaferrite, Strontium Hexaferrite}, issn = {1936-6612}, doi = {10.1166/asl.2016.6935}, author = {Solanki, Neha and Jotania, R. B. and Khomane, Ramdas B. and Kulkarni, B. D.} } @article { ISI:000379531300011, title = {Effect of donors on the activation mechanism in ziegler-natta catalysis: a computational study}, journal = {Chemcatchem}, volume = {8}, number = {10}, year = {2016}, month = {MAY}, pages = {1809-1818}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Full quantum chemical calculations, using density functional theory (DFT), have been conducted to explain the effect of donors on the {\textquoteleft}{\textquoteleft}activation mechanism{\textquoteright}{\textquoteright} in the Ziegler-Natta (Z-N) catalyst system. In the activation mechanism, the inactive (TiCl4)-Cl-IV catalyst converts into the active (TiCl2Et)-Cl-III catalyst with the help of the AlEt3 present in the system. The donors that have been considered in this study are: ethyl benzoate (eb), two representative diether cases, a phthalate donor, and a silyl ester donor. The results indicate that eb and the diether donor cases donor have a negative effect on the barriers for the activation mechanism. However, the eb donor can be displaced from the MgCl2 surface by AlEt3, which matches experimental observations. For the phthalate, silyl ester and TiCl3-OC4H8Cl cases, the results indicate that a significant induction period would be present in Z-N systems employing such donors or having such a catalytic center, before catalysis could commence.
}, keywords = {Alkylation, aluminum, Density functional calculations, surface chemistry, titanium}, issn = {1867-3880}, doi = {10.1002/cctc.201600281}, author = {Kumawat, Jugal and Gupta, Virendra Kumar and Vanka, Kumar} } @article {43593, title = {Effect of heterocycles on field-effect transistor performances of donor-acceptor-donor type small molecules}, journal = {Chemical Physics Letters}, volume = {661}, year = {2016}, month = {SEP}, pages = {107-113}, abstract = {Two D-A-D small molecules comprising triphenylamine and diketopyrrolopyrrole were synthesized having either furan or thiophene connected to the fused lactam ring. In this design, furan/thiophene diketopyrrolopyrrole acts as an acceptor and triphenylamine acts as a donor. Propeller shaped triphenylamine has its effect on packing, processability and plays a vital role in determining the pi-pi molecular orbital stacking in such compounds and thus the mobility of charge carriers. With TDPPT and FDPPT, maximum hole carrier mobility obtained is 2.88 x 10(-3) cm(2) V-1 s(-1) and 1.60 x 10(-3) cm(2) V-1 s(-1), respectively using bottom gate bottom contact field-effect transistor. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cplett.2016.08.073}, author = {Chini, Mrinmoy Kumar and Mahale, Rajashree Y. and Chatterjee, Shyambo} } @article {43394, title = {Effect of mixed acid catalysis on pretreatment and enzymatic digestibility of sugar cane bagasse}, journal = {Energy \& Fuels}, volume = {30}, year = {2016}, month = {SEP}, pages = {7310-7318}, abstract = {Aqueous pretreatment using homogeneous acid catalyst is considered as a low-cost technology in the production of lignocellulosic bioethanol. To establish the synergism of mixed acids, pilot-level aqueous pretreatments of bagasse covering a wide range of combined severity (CS) were carried out. To investigate the effect of application of mixture of acids on xylose hydrolysis as well as glucose hydrolysis via pretreatment and enzymatic hydrolysis, the following three combinations of acids were explored: (1) oxalic acid + sulfuric acid (organic + mineral acid), (2) phosphoric + sulfuric acid (mineral acids), and (3) ferric chloride + sulfuric acid (Lewis acid with a mineral acid). Of the pretreatments evaluated, the synergism was most pronounced for the combination of sulfuric and phosphoric acid, which resulted in more than 90\% conversion of hemicellulose to xylose and 70\% conversion of cellulose to glucose through enzymatic hydrolysis. Fourier transform infrared (FTIR) studies of pretreated samples showed higher syringyl/guaiacyl (S/G) ratio for sulfuric and phosphoric acid combination pretreatment, leading to higher enzymatic conversion. FTIR and dynamic light scattering (DLS) experiments conducted on pretreated sugar cane bagasse provided useful correlation with regard to the pretreatment type, particle size, and enzymatic hydrolysis.}, doi = {10.1021/acs.energyfuels.6b01011}, author = {Pal, Siddhartha and Joy, Shereena and Kumbhar, Pramod and Trimukhe, K. D. and Varma, Anjanikumar and Padmanabhan, Sasisanker} } @article {42547, title = {Effect of number of branches on the performance of fractal impeller in a stirred tank: mixing and hydrodynamics}, journal = {Chemical Engineering Research \& Design}, volume = {108}, year = {2016}, month = {APR}, pages = {164-175}, abstract = {
Number of blades of an impeller, impeller design and its positioning in a stirred tank is known to affect the mixing in a stirred tank reactor. The extent of non-uniformity in mixing from conventional impellers can be reduced significantly using a space-filling impeller like a fractal impeller. In this work, we report the effect of number of branches (and hence the number of blades) of fractal impeller on power consumption, mixing and hydrodynamics. Velocity measurements were carried out using ultrasonic velocity profiler (UVP). Measurements showed that the performance of fractal impeller with different configuration is equivalent, however, better than standard impellers in terms of mixing achieved per unit power consumption. No significant difference was observed in radial and axial mean velocity profiles for three different configurations. However, the tangential velocity was found higher for four branches than two and three branches FL Two distinct circulation loops were observed in upper as well as lower half of the vessel in r-z plane. Strong tangential flow throughout the baffled vessel helps to achieve good mixing even at low rotational speeds. (C) 2016 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
}, keywords = {Fractal impeller; Number of branches; UVP; Tangential velocity; Mixing}, doi = {10.1016/j.cherd.2016.01.025}, author = {Mule, Gunwant M. and Lohia, Rajat and Kulkarni, Amol A.} } @article {45855, title = {Effect of orifice shape on water disinfection efficacy}, journal = {Pollution Research}, volume = {35}, year = {2016}, month = {SEP}, pages = {765-771}, type = {Article}, abstract = {Hydrodynamic cavitation offers distinct advantages for water disinfection and waste watei treatment particularly at large scales of operations. For applying hydrodynamic cavitation foi water disinfection/treatment, water stream to be treated is passed through a fluidic device ir which there exists a low pressure region. Cavities are generated in this region when the pressurt falls below vapour pressure (in absence of any dissolved gases). These cavities are then collapsec when they travel to regions of higher pressure and lead to very high shear, temperatures anc pressures in localized regions. These high pressure/temperature as well as high shear facilitati disinfection as well as reduction in chemical oxygen demand, colour and amonical nitrogen in the water. In this work, we have investigated hydrodynamic cavitation generated by five difieren orifices have been studied which have different shapes with same fractional open area and have tested their effectiveness for water disinfection. The efficacy of generated cavitation on wate disinfection was quantified based on measurements of non-pathogenic E. coli colony forminj units (CFU/mL). The presented results and analysis will be useful for designing hydrodynamii cavitation based systems for water disinfection}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85019205889\&origin=inward\&txGid=ce34b9a17392bdd05364dde2f57a1e52}, author = {Gaikwad, V. and Gaikwad, S. and Ranade, V.} } @article {43311, title = {Effect of out-of-plane alkyl group{\textquoteright}s position in dye-sensitized solar cell efficiency: a structure-property relationship utilizing indoline-based unsymmetrical squaraine dyes}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {DEC}, pages = {35353-35367}, abstract = {
Squaraine dyes are promising chromophores to harvest visible and near-infrared (NIR) photons. A series of indoline-based unsymmetrical squaraine (SQ) dyes that contain alkyl chains at sp(3) C- and N- atoms of indoline moieties with a carboxylic acid anchoring group were synthesized. The optical and electrochemical properties of the SQ dyes in solution were nearly identical as there was no change in the D-A-D SQ framework; however, remarkable changes with respect to the power conversion efficiencies (PCE) were observed depending upon the position of alkyl groups in the dye. Introduction of alkyl groups to the indoline unit that was away from anchoring unit were helped in more dye loading with controlled organization of dyes on surface, increased charge transfer resistance, long electron lifetime, and hence higher PCE than that of the corresponding isomer in which the alkyl groups funtionalized indoline unit contains the carboxylic acid anchoring group. Careful analysis of incident photon-to current conversion efficiency (IPCE) profiles indicated the presence of aggregated structure on the TiO2 surface that contributes to the charge injection in the presence of a coadsorbent. A dye-sensitized solar cell (DSSC) device made out of SQ5 was achieved an efficiency of 9.0\%, with an open-circuit potential (V-oc) of 660 mV and short-circuit current density (J(sc)) of 19.82 mA/cm 2, under simulated AM 1.5G illumination (100 mW/cm(2)). The IPCE profile of SQ5 shows an onset near to 750 nm with a good quantum efficiency (\>80\%) in the range of 550-700 nm, indicating the importance of self-organization of dyes on the TiO2 surface for an efficient charge injection. This present investigation revealed the importance of position of alkyl groups in the squaraine-based dyes for the better PCE.
}, doi = {10.1021/acsami.6b12730}, author = {Alagumalai, Ananthan and Fairoos, Munavvar M. K. and Vellimalai, Punitharasu and Sil, Manik Chandra and Nithyanandhan, Jayaraj} } @article { ISI:000377257000076, title = {Effect of plasma treatment on multilayer graphene: X-ray photoelectron spectroscopy, surface morphology investigations and work function measurements}, journal = {RSC Advances}, volume = {6}, number = {54}, year = {2016}, month = {MAY}, pages = {48843-48850}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report here the effect of plasma treatment on multilayer graphene samples as determined by X-ray photoelectron spectroscopy and surface morphology studies with atomic force microscopy, scanning electron microscopy and transmission electron microscopy. The plasma treatment was modified to introduce controlled levels of defects and functionalities to the graphene samples to give tunable properties. The elemental composition and structure were investigated by XPS and micro Raman spectroscopy. The XPS study showed that there was a slight variation in the sp(2)/sp(3) hybridization ratio between the plasma-treated samples and the pristine sample. Kelvin probe measurements were carried out on all the multilayer graphene samples and indicated a slight variation in the work function of the graphene samples after plasma treatment.
}, issn = {2046-2069}, doi = {10.1039/c6ra03046g}, author = {Patil, Urmila V. and Pawbake, Amit S. and Machuno, Luis G. B. and Gelamo, Rogerio V. and Jadkar, Sandesh R. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000376515100003, title = {Effect of plug temperature on the strain and thickness distribution ofcomponents made by plug assist thermoforming}, journal = {International Polymer Processing}, volume = {31}, number = {2}, year = {2016}, month = {MAY}, pages = {166-178}, publisher = {CARL HANSER VERLAG}, address = {KOLBERGERSTRASSE 22, POSTFACH 86 04 20, D-81679 MUNICH, GERMANY}, abstract = {
Plug temperature is a key parameter affecting the thickness distribution of thermoplastic components made by plug assist thermoforming. For a specified pair of plug and plastic sheet, the variation in plug temperature can alter the coefficient of friction (COF) between the pair. We show here how the temperature dependence of COF influences the nature and extent of biaxial stretching of the sheet and consequently the thickness distribution of the thermoformed component. In the present study, high impact polystyrene (HIPS) sheets were thermoformed into axisymmetric cups using a plug-assist process in which the aluminum plug temperature (T-plug) was varied from ambient to above the glass transition temperature of HIPS (similar to 100 degrees C). Biaxial strain maps on the surfaces of the formed cups were measured and quantified using Grid Strain Analysis (GSA). Thickness distributions of the cups were also measured. Temperature dependent COF between HIPS and aluminum was determined independently using a rotational rheometer. The measured COF was low for T \< 100 degrees C, whereas it increased appreciably at and above 100 degrees C. We conclude that when T-plug \< 100 degrees C the HIPS sheet slips on the plug during forming, and this results in biaxial stretching of the base and walls of the formed cup. In contrast for T-plug \> 100 degrees C, a significant reduction in the magnitude of slip is expected. Here the sheet is gripped at the clamp and by the plug during forming which causes reduced biaxial stretching of the base and increased uniaxial stretching of the walls of the cup. Simulations of plug-assist thermoforming using a temperature dependent COF showed qualitative agreement with the GSA data thereby supporting our inferences.
}, issn = {0930-777X}, doi = {10.3139/217.3060}, author = {Marathe, D. and Rokade, D. and Azad, Lal Busher and Jadhav, Kishor and Mahajan, Sunil and Ahmad, Zubair and Gupta, S. and Kulkarni, S. and Juvekar, Vinay A. and Lele, Ashish K.} } @article {43039, title = {Effect of polyvinylpyrrolidone at methane hydrate-liquid water interface. application in flow assurance and natural gas hydrate exploitation}, journal = {Fuel}, volume = {186}, year = {2016}, month = {DEC}, pages = {613-622}, doi = {10.1016/j.fuel.2016.09.004}, author = {Choudhary, Nilesh and Das, Subhadip and Roy, Sudip and Kumar, Rajnish} } @article { ISI:000362919800035, title = {Effect of process intensifying parameters on the hydrodynamic cavitation based degradation of commercial pesticide (methomyl) in the aqueous solution}, journal = {Ultrasonics Sonochemistry}, volume = {28}, year = {2016}, month = {JAN}, pages = {283-293}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Methomyl, a carbamate pesticide, is classified as a pesticide of category-1 toxicity and hence shows harmful effects on both human and aquatic life. In the present work, the degradation of methomyl has been studied by using hydrodynamic cavitation reactor (HC) and its combination with intensifying agents such as H2O2, fenton reagent and ozone (hybrid processes). Initially, the optimization of operating parameters such pH and inlet pressure to the cavitating device (circular venturi) has been carried out for maximizing the efficacy of hydrodynamic cavitation. Further degradation study of methomyl by the application of hybrid processes was carried out at an optimal pH of 2.5 and the optimal inlet pressure of 5 bar. Significant synergetic effect has been observed in case of all the hybrid processes studied. Synergetic coefficient of 5.8, 13.41 and 47.6 has been obtained by combining hydrodynamic cavitation with H2O2, fenton process and ozone respectively. Efficacy of individual and hybrid processes has also been obtained in terms of energy efficiency and extent of mineralization. HC + Ozone process has proved to be the most effective process having highest synergetic coefficient, energy efficiency and the extent of mineralization. The study has also encompassed the identification of intermediate by-products generated during the degradation and has proposed the probable degradation pathway. It has been conclusively established that hydrodynamic cavitation in the presence of intensifying agents can effectively be used for complete degradation of methomyl. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Advanced Oxidation Processes (AOPs), Hydrodynamic cavitation, Methomyl, Synergetic coefficient, Venturi}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2015.08.004}, author = {Raut-Jadhav, Sunita and Saini, Daulat and Sonawane, Shirish and Pandit, Aniruddha} } @article { ISI:000371139400018, title = {Effect of sequence on the ionization of guanine in DNA}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {9}, year = {2016}, month = {MAR}, pages = {6526-6533}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The accurate estimation of the ionization energies and understanding the nature of the ionized states of the nucleic acid bases (NABs) are crucial to the understanding of the DNA damage mechanism. The vertical ionization energy (VIE) of guanine is the lowest among the NABs and the ionization energies are strongly affected by the environment, such as solvation and characteristics of nearby NABs. Therefore, we investigate the sequence dependence of the VIEs of guanine in B-DNA. We use the equation of motion coupled cluster method for the estimation of ionization potential with single and double excitations (EOM-IP-CCSD) and density functional theory with dispersion corrected omega B97x-D for the estimation of VIEs. A significant amount of non-additivity or cooperativity, directly proportional to charge delocalization, is noticed in the change in VIE due to the interaction with the nearby NABs. While the change in VIE due to base pairing originates predominantly from charge-dipole interactions, stacking between base pairs is a more complicated balance of dispersion and charge-dipole interactions as well as stabilization due to the delocalization of the positive charge. The long range interactions are however dominated by 1/r(3) distance dependence which shows the major role played by charge-dipole interactions. The extent of localization of positive holes on guanine is also estimated for various sequences.
}, issn = {1463-9076}, doi = {10.1039/c5cp07804k}, author = {Chakraborty, Rahul and Ghosh, Debashree} } @conference { ISI:000375945500074, title = {Effect of sintering temperature and vinca petals extract on structural and magnetic properties of delafossite CuFeO2}, booktitle = {International Conference On Condensed Matter and Applied Physics (ICC 2015)}, series = {AIP Conference Proceedings}, volume = {1728}, year = {2016}, note = {International Conference on Condensed Matter and Applied Physics (ICC), Bikaner, INDIA, OCT 30-31, 2015}, month = {MAY}, pages = {020074}, publisher = {Govt Engn Coll}, organization = {Govt Engn Coll}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {
Delathssite CuFeO2, multi ferroic powder was synthesized using Sol-Gel auto combustion method. Influence of vinea flower petals extract on structural and magnetic properly of CuFeO2 were investigated. X-ray analysis of normal samples (synthesized without presence of vinca petals extract) shows formation of hematite and ferrite phases while the sample synthesized in presence of vinca petals extract show only mono phase. The absorption bands in FTIR spectra present between 510-460 cm(-1)in both the samples are due to stretching of Fe-O vibrations. VSM analysis shows that the squareness ratio (Mr/Ms) of the sample prepared using vinca petals extract obtains value of squareness ratio \<0.5, which attributes multi domain formation of samples.
}, isbn = {978-0-7354-1375-7}, issn = {0094-243X}, doi = {10.1063/1.4946125}, author = {Dhruv, Preksha N. and Solanki, Neha and Kulkarni, Shailja and Jotania, R. B.}, editor = {Shekhawat, MS and Bhardwaj, S. and Suthar, B.} } @article { ISI:000376417400010, title = {Effect of solvation on electron detachment and excitation energies of a green fluorescent protein chromophore variant}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {19}, year = {2016}, month = {MAY}, pages = {4410-4420}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Hybrid quantum mechanics/molecular mechanics (QM/MM) is applied to the fluorinated green fluorescent protein (GFP) chromophore (DFHBDI) in its deprotonated form to understand the solvatochromic shifts in its vertical detachment energy (VDE) and vertical excitation energy (VEE). This variant of the GFP chromophore becomes fluorescent in an RNA environment and has a wide range of applications in biomedical and biochemical fields. From microsolvation studies, we benchmark (with respect to full QM) the accuracy of our QM/MM calculations with effective fragment potential (EFP) as the MM method of choice. We show that while the solvatochromic shift in the VEE is minimal (0.1 eV blue shift) and its polarization component is only 0.03 eV, the effect of the solvent on the VDE is quite large (3.85 eV). We also show by accurate calculations on the solvatochromic shift of the VDE that polarization accounts for similar to 0.23 eV and therefore cannot be neglected. The effect of the counterions on the VDE of the deprotonated chromophore in solvation is studied in detail, and a charge-smearing scheme is suggested for charged chromophores.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b03723}, author = {Bose, Samik and Chakrabarty, Suman and Ghosh, Debashree} } @article {45648, title = {Effect of the amino acid L-histidine on methane hydrate growth kinetics}, journal = {Journal of Natural Gas Science and Engineering}, volume = {35}, year = {2016}, month = {SEP}, pages = {1453-1462}, type = {Article}, abstract = {
In the present study, the effect of a polar amino acid, L-histidine on methane hydrate growth kinetics has been investigated. Methane hydrate formation experiments were carried out in a stirred tank reactor setup at pressure and temperature conditions of 274.15 K and 5.0 MPa respectively. Two different concentrations (0.1 and 1 wt \%) of L-histidine were studied. Hydrate growth through molecular dynamic (MD) simulation was also studied; pressure and temperature conditions for the simulations were set at 10.0 MPa and 270.0 K, while the concentration of L-histidine was kept fixed at 0.94 wt \%. Hydrate formation runs using MD simulation were carried out with optimal concentration of methane in water. The presence of L-histidine in the system was found to significantly enhance methane hydrate growth kinetics as compared to pure water for both experimental and MD simulation runs. Final gas consumption with 1 wt \% L-histidine was found to be comparable to that with 1 wt \% SDS, the most commonly used additive for hydrate promotion studies. L-histidine is a benign additive which offers considerable enhancement in methane hydrate formation kinetics and can be utilized for various hydrate based technologies such as methane storage and transport. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Amino acid, Crystal growth, Gas hydrate, kinetics, Molecular dynamic simulation}, issn = {1875-5100}, doi = {10.1016/j.jngse.2016.05.052}, author = {Bhattacharjee, Gaurav and Choudhary, Nilesh and Kumar, Asheesh and Chakrabarty, Suman and Kumar, Rajnish} } @article { ISI:000381384300030, title = {Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities}, journal = {Journal of Chemical Physics}, volume = {145}, number = {3}, year = {2016}, month = {JUL}, pages = {Article Number: 034502}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
In this paper, we present a study of supercooled liquids interacting with the Lennard Jones potential and the corresponding purely repulsive (Weeks-Chandler-Andersen) potential, over a range of densities and temperatures, in order to understand the origin of their different dynamics in spite of their structures being similar. Using the configurational entropy as the thermodynamic marker via the Adam Gibbs relation, we show that the difference in the dynamics of these two systems at low temperatures can be explained from thermodynamics. At higher densities both the thermodynamical and dynamical difference between these model systems decrease, which is quantitatively demonstrated in this paper by calculating different parameters. The study also reveals the origin of the difference in pair entropy despite the similarity in the structure. Although the maximum difference in structure is obtained in the partial radial distribution function of the B type of particles, the rdf of AA pairs and AB pairs gives rise to the differences in the entropy and dynamics. This work supports the observation made in an earlier study [A. Banerjee et al., Phys. Rev. Lett. 113, 225701 (2014)] and shows that they are generic in nature, independent of density. Published by AIP Publishing.
}, issn = {0021-9606}, doi = {10.1063/1.4958627}, author = {Banerjee, Atreyee and Nandi, Manoj Kumar and Sastry, Srikanth and Bhattacharyya, Sarika Maitra} } @article {42853, title = {Effective and selective oxidation of 2-butanol over Mn supported catalyst systems}, journal = {Applied Catalysis A-General}, volume = {525}, year = {2016}, month = {SEP}, pages = {237-246}, abstract = {
Oxidation of alcohols to their corresponding aldehydes/ketones is an important reaction in industries as well as in academic perspective. Selective oxidation (Selox) of alcohols like methanol, ethanol and propanol are well studied in literature; however, alcohols like butanol, pentanol, octanol is a challenging task. Selective oxidation of 2-butanol to methyl ethyl ketone (MEK) is an important reaction due to its wide range of applications. Herein, we demonstrated the selective oxidation of 2-butanol to MEK over Mn supported on different oxide supports. A series of MnxOy-Al2O3 (MA), MnxOy-CeO2 (MC), MnxOy-ZrO2 (MZ) and MnxOy-SiO2 (MS) catalysts were prepared by co-precipitation followed by hydrothermal method. As synthesised catalysts were characterised by various physico-chemical characterisation techniques. It was found that the presence of Mn3O4 species in MA and MZ catalysts is responsible for maximum catalytic activity towards 2-butanol oxidation. MA catalyst conferred a maximum 2-butanol conversion of 51\% and 88\% selectivity towards MEK. XPS analysis revealed that Mn in MA catalyst exists in +2 and +3 oxidation states and responsible for 2-butanol oxidation. Moreover it was found that the acidity of the catalyst also plays an important role in catalytic activity. (C) 2016 Published by Elsevier B.V.
}, doi = {10.1016/j.apcata.2016.08.005}, author = {Prabu, Kandasamy and Prabu, Marimuthu and Venugopal, Ashok Kumar and Venugopalan, Aswathy Thareparambil and Sandilya, W. V. Y. Sai and Gopinath, Chinnakonda S. and Raja, Thirumalaiswamy} } @article {43620, title = {Effective noncovalent functionalization of poly(ethylene glycol) to reduced graphene oxidenanosheets through gamma-radiolysis for enhanced lubrication}, journal = {Journal of Physical Chemistry C}, volume = {120}, year = {2016}, month = {FEB}, pages = {2139-2148}, abstract = {High-quality reduced graphene oxide (rGO) nanosheets (NSs) were synthesized by the oxidation of graphite followed by hydrazine treatment for the reduction of the oxygen functionalities. gamma-Radiolysis was then used for the functionalization of the rGO-NSs with poly(ethylene glycol) 200 (PEG200). The functionalization resulted in the intercalation of PEG200 molecules in rGO through hydrogen bonding between the hydroxyl groups of rGO and the oxygen atoms of PEG200 molecules. This resulted in an increase in the d spacing of the graphene sheets and a decrease in the defect density of the carbon network in the rGO. The friction coefficient and wear of sliding steel surfaces were reduced by 38\% and 55\%, respectively, when 0.03 mg mL(-1) PEG200-functionalized rGO dispersed in PEG200 was used. The lubrication properties can be described by bipolar interactions between PEG200 and rGO, leading to effective dispersion. Chemical analysis of wear particles showed decomposition of rGO into nanosized graphite domains, as exhibited by mechanical energy produced in tribo-contact. Moreover, these domains formed effective and stable tribofilms on the steel wear tracks that easily sheared under the action of contact stress. This significantly enhanced the antifriction and antiwear properties, resulting in improved oxidation resistance of PEG200 under the tribo-contact. It was found that, at high rGO concentrations, the lubrication efficiency decreased as a result of graphene-graphene intersheet collisions, producing mechanical energy and chemical defects at contact interfaces.}, doi = {10.1021/acs.jpcc.5b08762}, author = {Gupta, Bhavana and Kumar, Niranjan and Panda, Kalpataru and Melvin, Ambrose A. and Joshi, Shailesh and Dash, Sitaram and Tyagi, Ashok Kumar} } @article { ISI:000373611700015, title = {Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics}, journal = {Journal of Materials Chemistry C}, volume = {4}, number = {14}, year = {2016}, month = {DEC}, pages = {2793-2801}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Four benzoxazole-substituted GFP chromophores that differ by the length of their alkyl chain (from C1 to C12) were synthesized. In solution, the four compounds showed identical spectroscopic behavior, emitting blue light with moderate quantum yield. In the solid state, the butyl, pentyl and dodecyl derivatives strongly emitted orange light, while the methyl derivative was only weakly emissive. Based on the X-ray data and DFT calculations, emission in the solid state was explained by the formation of excimers. A very unusual {\textquoteleft}{\textquoteleft}hot-dog{\textquoteright}{\textquoteright}-type excimer was found for the dodecyl derivative, in which two overlapping chromophores are separated by an alkyl chain.
}, issn = {2050-7526}, doi = {10.1039/c5tc03776j}, author = {Ghodbane, Abdelhamid and Fellows, W. Brett and Bright, John R. and Ghosh, Debashree and Saffon, Nathalie and Tolbert, Laren M. and Fery-Forgues, Suzanne and Solntsev, Kyril M.} } @article {43395, title = {Effects of thermal treatment of ZnO-ZnCr2O4 catalyst on the particle size and product selectivity in dehydrocyclization of crude glycerol and ethylenediamine}, journal = {Kinetics and Catalysis}, volume = {57}, year = {2016}, month = {SEP}, pages = {602-609}, abstract = {The ZnO-ZnCr2O4 (Zn-Cr-O) sample obtained by decomposition of Zn-Cr hydrotalcite precursor was subjected to the thermal treatment at different temperatures and the physico-chemical properties of the Zn-Cr-O system were compared with its catalytic behavior in dehydrocyclization of crude glycerol and ethylenediamine (EDA). Upon high temperature treatment of Zn-Cr-O the Cr6+ ions underwent autoreduction to form stable Cr3+ species and the particle size of both ZnO and ZnCr2O4 increased dramatically. Thermal effect did not influence the intermolecular cyclisation of EDA to form pyrazine. By contrast, an inversely proportional dependence was found between the rate of formation of 2-methylpyrazine and the particle size of Zn-Cr-O whereas the rate of 2-pyrazinylmethanol was directly proportional to the particle size.}, doi = {10.1134/S0023158416050177}, author = {Sarkari, Reema and Krishna, Vankudoth and Sudhakar, Medak and Rao, Tumula Venkateshwar and Padmasri, Aytam Hari and Srinivas, Darbha and Venugopal, Akula} } @article { ISI:000380417800044, title = {Efficacy of zero-valent copper (Cu-0) nanoparticles and reducing agents for dechlorination of mono chloroaromatics}, journal = {Chemosphere}, volume = {159}, year = {2016}, month = {SEP}, pages = {359-366}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The zero-valent copper (Cu-0) nanoparticles were prepared by chemical reduction method. The morphology of nanoparticles was investigated by using X ray diffraction, scanning electron microscopy-energy dispersive X ray, UV-visible spectrophotometer and Brunauer-Emmett-Teller surface area analyser. The Cu-0 nanoparticles along with reducing agents, NaBH4/5\% acidified alcohol were used for the dechlorination of chloroaromatics at room temperature. Chlorobenzene (Cl-B), chlorotoluene (Cl-T), chloropyridine (Cl-Py) and chlorobiphenyl (Cl-BPh) were selected as the contaminants. The effect of various operating parameters such as pH, concentration of the catalyst and reducing agent (NaBH4), and recycling of the catalyst on dechlorination were studied. Nearly complete dechlorination of all the chloroaromatics were achieved in the presence of Cu-0 nanoparticles (2.5 g L-1) and NaBH4 (1.0 g L-1.) within 12 h. On the contrary, approximately 70\% of dechlorination was observed in the presence of 5\% acidified alcohol at similar experimental conditions. The dechlorination mechanism highlighted the importance of Cu-0 nanoparticles as a surface mediator. The kinetics of the dechlorination of chloroaromatics was investigated and compared with chloroaliphatics. The dechlorination rate differed from 0.23 h(-1) (Cl-B) to 0.15 h(-1) (Cl-BPh) in the presence of Cu-0 nanoparticles and NaBH4. The effectiveness of Cu nanoparticles with NaBH4 (1 g L-1) and 5\% acidified alcohol as electron donors were studied by oxidation-reduction potential and observed to be -1016 mV and -670 mV, respectively. Final products of the dechlorination were benzene, toluene, pyridine and biphenyl, as identified by gas chromatograph mass spectrometer and nuclear magnetic resonance spectroscopy. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Acidified alcohol, ChloroAromatics, Hydrodechlorination, NaBH4, Wastewater treatment, Zero-valent copper (Cu-0) nanoparticles}, issn = {0045-6535}, doi = {10.1016/j.chemosphere.2016.06.031}, author = {Raut, Sandesh S. and Kamble, Sanjay P. and Kulkarni, Prashant S.} } @article { ISI:000378390300022, title = {Efficient access to alkynylated quinalizinones via the gold(I)-catalyzed aminoalkynylation of alkynes}, journal = {Chemical Communications}, volume = {52}, number = {52}, year = {2016}, month = {MAY}, pages = {8152-8155}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The gold-catalyzed aminoalkynylation of alkynes for the synthesis of quinalizinones is reported. For instance, the reaction of pyridinoalkynes with 1-[(triisopropylsilyl)-ethynyl]-1,2-benziodoxol-3(1H)-one (TIPS-EBX) in the presence of a catalytic amount of AuCl at 50 8C afforded alkynylated quinalizinones in 57-87\% yields.
}, issn = {1359-7345}, doi = {10.1039/c6cc03414d}, author = {Shinde, Popat S. and Shaikh, Aslam C. and Patil, Nitin T.} } @article { ISI:000377424600004, title = {Efficient cellular entry of (r-x-r)-type carbamate-plasmid DNA complexes and its implication for noninvasive topical DNA delivery to skin}, journal = {Molecular Pharmaceutics}, volume = {13}, number = {6}, year = {2016}, month = {JUN}, pages = {1779-1790}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Arginine-rich cell penetrating peptides are powerful tools for in vitro as well as in vivo delivery of a wide plethora of biomolecules. However, presence of consecutive arginine residues leads to enhanced amenability for proteolytic degradation as well as steric hindrances for membrane interactions which compromise its bioavailability. In order to overcome these limitations we previously reported a safe and stable octaarginine based oligomer, i.e., (r-x-r)4-carbamate, where the backbone amide linkages were replaced by carbamate linkages and 6-aminohexanoic acid based spacer moieties were incorporated for better flexibility, hydrophobicity, optimal spacing of guanidinium groups, and protection against proteolytic cleavage; resulting in improved transfection efficiency over its amide counterpart. In the present work we have investigated the mechanism behind this enhanced transfection efficiency and, based on our observations, demonstrate how the synergistic effect of rationalized oligomer designing, complex characteristics, and cell type contributes to overall effective intracellular delivery. Our results indicate that the (r-x-r)4-carbamate plasmid DNA complexes primarily utilize lipid raft dependent pathway of cellular entry more than other pathways, and this possibly facilitates their increased entry in the lipid raft rich milieu of skin cells. We also emphasize the utility of oligomer (r-x-r)4-carbamate as an efficient carrier for topical delivery of nucleic acids in skin tissue. This carrier can be utilized for safe, efficient, and noninvasive delivery of therapeutically relevant macromolecular hydrophilic cargo like nucleic acids to skin.
}, keywords = {Cell penetrating peptides, endocytosis, nucleic acid delivery, skin penetration, transfection}, issn = {1543-8384}, doi = {10.1021/acs.molpharmaceut.5b00915}, author = {Vij, Manika and Natarajan, Poornemaa and Yadav, Amit K. and Patil, Kiran M. and Pandey, Tanuja and Gupta, Nidhi and Santhiya, Deenan and Kumar, Vaijayanti A. and Fernandes, Moneesha and Ganguli, Munia} } @inbook {43390, title = {Efficient methods for preparing silicon compounds}, booktitle = {Academic Press}, year = {2016}, chapter = {Efficient methods for preparing silicon compounds}, abstract = {
Efficient Methods for Preparing Silicon Compounds is a unique and valuable handbook for chemists and students involved in advanced studies of preparative chemistry in academia and industry. Organized by the various coordination numbers (from two to six) of the central silicon atom of the reported compounds, this book provides researchers with a handy and immediate reference for any compound or properties needed in the area. Edited by a renowned expert in the field, each chapter explores a different type of compound, thoroughly illustrated with useful schemes and supplemented by additional references. Knowledgeable contributors report on a broad range of compounds on which they have published and which are already used on a broad scale or have the potential to be used in the very near future to develop a new field of research or application in silicon chemistry. Includes contributions and edits from leading experts in the field Includes detailed chemical schemes and useful references for each preparative method Organized by the coordination numbers of the central silicon atom for each compound for easy navigation Serves as a go-to primer for researchers in novel compositions of silicon matter.
}, author = {Sen, Sakya S. and Roesky, H. W.} } @article { ISI:000373519600016, title = {Efficient strategy for the construction of both enantiomers of the octahydropyrroloquinolinone ring system: total synthesis of (+)-aspidospermidine}, journal = {Organic Letters}, volume = {18}, number = {7}, year = {2016}, month = {APR}, pages = {1558-1561}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An efficient and highly stereoselective intramolecular [3 + 2] cycloaddition of nonstabilized azomethine ylide generated from a designed bicyclic aminal precursor is reported for the synthesis of both (-)- and (+)-octahy-dropyrroloquinolinone. One of the enantiomers is further advanced to accomplish the total synthesis of (+)-aspidospermidine.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b00374}, author = {Pandey, Ganesh and Burugu, Shiva Kumar and Singh, Pushpendra} } @article {45835, title = {Efficient synthesis of potent anti-tubercular drug candidate BM212}, journal = {Rasayan Journal of Chemistry}, volume = {9}, year = {2016}, month = {OCT}, pages = {806-811}, type = {Article}, abstract = {
A novel five step total synthesis route for an anti-tubercular drug BM212 starting from 4-chlorophenacyl bromide was developed with 48\% overall yield. The synthesis is amiable for the synthesis of biologically active derivatives of BM 212.
}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85006821396\&origin=inward\&txGid=dd9ebfd9dd46604a8f7c425b110c73d0}, author = {More, N. A. and Patil, M. D. and Garud, D. R. and Gajbhiye, J. M.} } @article {43638, title = {Electrocatalytic water oxidation by a molecular cobalt complex through a high valent cobalt oxo intermediate}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {AUG}, pages = {11787-11790}, abstract = {Biuret-modified tetraamidomacrocyclic cobalt complex [Co-III-bTAML]- is shown to catalyze electrochemical water oxidation at basic pH leading to the formation of O-2. Electrochemical and spectroscopic studies indicate a high valent cobalt oxo intermediate isoelectronic to Co-V(O) as the active oxidant. The kinetic isotope effect of 8.63 indicates an atom proton transfer mechanism.}, doi = {10.1039/c6cc05773j}, author = {Das, Debasree and Pattanayak, Santanu and Singh, Kundan K. and Garai, Bikash and Sen Gupta, Sayam} } @article { ISI:000371103000013, title = {Electron detachment and subsequent structural changes of water clusters}, journal = {Journal of Physical Chemistry A}, volume = {120}, number = {7}, year = {2016}, month = {FEB}, pages = {1065-1073}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A cost-effective equation of motion coupled cluster method, EOMIP-CCSD(2), is used to investigate vertical and adiabatic ionization potential as well as ionization-induced structural changes of water clusters and compared with CCSD(T), CASPT2, and MP2 methods. The moderate N-5 scaling and low storage requirement yields EOMIP-CCSD (2) calculation feasible even for reasonably large molecules and clusters with accuracy comparable to CCSD(T) method at much cheaper computational cost. Our calculations shed light on the authenticity of EOMIP-CCSD(2) results and establish a reliable method to study of ionization energy of molecular clusters. We have further investigated the performance of several classes of DFT functionals for ionization energies of water clusters to benchmark the results and to get a reliable functionals for the same.
}, issn = {1089-5639}, doi = {10.1021/acs.jpca.5b09389}, author = {Das, Susanta and Sengupta, Turbasu and Dutta, Achintya Kumar and Pal, Sourav} } @article { ISI:000377203300030, title = {Electronic structure and properties of layered gallium telluride}, journal = {Chemical Physics Letters}, volume = {651}, year = {2016}, month = {MAY}, pages = {148-154}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Layer-dependent electronic structure and properties of gallium monochalcogenides, GaX where X=S, Se, Te, have been investigated using first-principles calculations based on various functionals, with a motivation to assess their use in photocatalytic water splitting. Since hydrogen evolution by water splitting using visible light provides a promising way for solar energy conversion, both theoretical and experimental studies have been carried out on the photochemical hydrogen evolution by GaTe. We also present the Raman spectra of GaTe examined by both theory and experiment. (C) 2016 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2016.03.045}, author = {Shenoy, U. Sandhya and Gupta, Uttam and Narang, Deepa S. and Late, Dattatray J. and Waghmare, Umesh V. and Rao, C. N. R.} } @article { ISI:000378196000019, title = {Electrostatic interactions are key to C=O n-pi* shifts: an experimental proof}, journal = {Journal of Physical Chemistry Letters}, volume = {7}, number = {12}, year = {2016}, month = {JUN}, pages = {2270-2275}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Carbonyl n-pi* transitions are known to undergo blue shift in polar and hydrogen-bonding solvents. Using semiempirical expressions, previous studies hypothesized several factors like change in dipole moment and hydrogen-bond strength upon excitation to cause the blue shift. Theoretically, ground-state electrostatics has been predicted to be the key to the observed shifts, however, an experimental proof has been lacking. Our experimental results demonstrate a consistent linear correlation between IR (ground-state phenomenon) and n-pi* frequency shifts (involves both ground and excited electronic-states) of carbonyls in hydrogen-bonded and non-hydrogen-bonded environments. The carbonyl hydrogen-bonding status is experimentally verified from deviation in n-pi*/fluorescence correlation. The IR/n-pi* correlation validates the key role of electrostatic stabilization of the ground state toward n-pi* shifts and demonstrates the electrostatic nature of carbonyl hydrogen bonds. n-pi* shifts show linear sensitivity to calculated electrostatic fields on carbonyls. Our results portray the potential for n-pi* absorption to estimate local polarity in biomolecules and to probe chemical reactions involving carbonyl activation/stabilization.
}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.6b01052}, author = {Haldar, Tapas and Bagchi, Sayan} } @article {42425, title = {Employing arynes in diels{\textendash}alder reactions and transition-metal-free multicomponent coupling and arylation reactions}, journal = {Accounts of Chemical Research}, volume = {49}, year = {2016}, month = {SEP}, pages = {1658-1670}, abstract = {
Conspectus

Arynes are highly reactive intermediates having several applications in organic synthesis for the construction of various ortho-disubstituted arenes. Traditionally, arynes are generated in solution from haloarenes under strongly basic conditions. However, the scopes of many of the aryne reactions are limited because of the harsh conditions used for their generation. The renaissance of interest in aryne chemistry is mainly due to the mild conditions for their generation by the fluoride-induced 1,2-elimination of 2-(trimethylsilyl)aryl triflates. This Account is focused on the Diels{\textendash}Alder reaction of arynes and their transition-metal-free application in multicomponent couplings as well as arylation reactions.

The Diels{\textendash}Alder reaction of arynes is a powerful tool for constructing benzo-fused carbocycles and heterocycles. In 2012, we developed an efficient, broad-scope, and scalable Diels{\textendash}Alder reaction of pentafulvenes with arynes affording benzonorbornadiene derivatives. Subsequently, we accomplished the Diels{\textendash}Alder reaction of arynes with dienes such as 1,2-benzoquinones and tropones. Moreover, we uncovered a transition-metal-free protocol for the synthesis of 9,10-dihydrophenanthrenes by the reaction of arynes with styrenes that proceeds via a Diels{\textendash}Alder/ene-reaction cascade. In addition, we demonstrated the reaction of arynes with indene/benzofurans, which proceeds via a tandem [4 + 2]/[2 + 2] sequence.

Multicomponent coupling (MCC) involving arynes mainly comprises the initial addition of a nucleophile to the aryne followed by interception of the aryl anion intermediate with an electrophile (provided the nucleophilic and electrophilic moieties do not belong to the same molecule). We have disclosed aryne MCCs initiated by N-heterocycles such as (iso)quinoline, pyridine, and aziridines. When (iso)quinoline is used as the nucleophilic trigger and N-substituted isatin as the third component, the reaction affords spirooxazino(iso)quinolines via 1,4-dipolar intermediates. Unexpectedly, using pyridine affords indolin-2-ones, where the reaction proceeds via the pyridylidene intermediate. Additionally, we developed the phosphine-triggered aryne MCCs for the synthesis of functionalized benzooxaphospholes. In another phase of our work, we studied the synthetic utility of CO2\ as a one-carbon synthon in aryne MCCs for the synthesis of phthalimides.

Engaging arynes as an aryl source is one of the transition-metal-free methods for arylation reactions. We have demonstrated the N-arylation of aromatic tertiary amines and O-arylation of aliphatic alcohols using arynes.

It is anticipated that the chemistry of arynes will continue to prosper and will lead to surprising developments for the synthesis of various 1,2-disubstituted arenes of molecular complexity and structural diversity. Future challenges in this area include the utility of arynes in enantioselective transformations and the synthesis and reactions of exotic heterocyclic arynes.
}, keywords = {2-Benzoquinones; Cycloaddition, Facile N-arylation; O-arylation; One-Pot; Aldehydes; Benzyne; Amines; Heterocycles; Acids; 1}, doi = {10.1021/acs.accounts.6b00188}, author = {Bhojgude, Sachin Suresh and Bhunia, Anup and Biju, Akkattu T.} } @article { ISI:000366864700011, title = {Employing carboxylic acids in aryne multicomponent coupling triggered by aziridines/azetidines}, journal = {Organic Chemistry Frontiers}, volume = {3}, number = {1}, year = {2016}, month = {NOV}, pages = {71-76}, publisher = {CHINESE CHEMICAL SOC}, address = {PO BOX 1-18, NANKANG, TAIPEI 115, TAIWAN}, abstract = {
The transition-metal-free aryne multicomponent coupling (MCC) involving carboxylic acids initiated by aziridines/azetidines has been reported. The use of aziridines as nucleophiles afforded N-aryl beta-amino alcohol derivatives and the application of azetidines as nucleophilic triggers furnished N-aryl gamma-amino alcohol derivatives in moderate to good yields. These reactions proceed under mild conditions and result in the formation of a new carbon-nitrogen bond and a new carbon-oxygen bond. The utility of carboxylic acids in aryne MCCs has been demonstrated, and the synthetic potential of phenols as acid surrogates in the present aryne MCCs has been realized.
}, issn = {2052-4129}, doi = {10.1039/c5qo00328h}, author = {Roy, Tony and Bhojgude, Sachin Suresh and Kaicharla, Trinadh and Thangaraj, Manikandan and Garai, Bikash and Biju, Akkattu T.} } @article { ISI:000371239900016, title = {Enantioselective modular total synthesis of macrolides Sch725674 and C-4-epi-Sch725674}, journal = {European Journal of Organic Chemistry}, number = {6}, year = {2016}, month = {FEB}, pages = {1215-1226}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
The convergent total synthesis of Sch725674 has been accomplished by starting from (R)-1,2-epoxyheptane and assembling five modules in a highly stereoselective manner to give the final product in 6.6\% overall yield. The same strategy was extended to the synthesis of its C-4 epimer. Key reactions of the synthetic pathway include a Jacobsen hydrolytic kinetic resolution of an epoxide followed by its regioselective opening through a Yamaguchi-Hirao alkynylation, and ring-closing metathesis reaction to furnish the unique 14-membered ring macrolactone. In addition, the influence of protecting groups on the efficiency of the ring-closing metathesis (RCM) macrocyclization has been studied to maximize its yields.
}, keywords = {Asymmetric synthesis, Hydrolytic kinetic resolution, Macrocycles, Metathesis, Natural products}, issn = {1434-193X}, doi = {10.1002/ejoc.201501531}, author = {Sharma, Brijesh M. and Gontala, Arjun and Kumar, Pradeep} } @article { ISI:000368065300033, title = {Enantioselective synthesis of spirocyclohexadienones by NHC-catalyzed formal [3+3] annulation reaction of enals}, journal = {Angewandte Chemie-International Edition}, volume = {55}, number = {1}, year = {2016}, month = {JAN}, pages = {268-272}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
The enantioselective synthesis of pyrazolone-fused spirocyclohexadienones was demonstrated by the reaction of alpha,beta-unsaturated aldehydes with alpha-arylidene pyrazolinones under oxidative N-heterocyclic carbene (NHC) catalysis. This atom-economic and formal [3+3] annulation reaction proceeds through a vinylogous Michael addition/spiroannulation/dehydrogenation cascade to afford spirocyclic compounds with an all-carbon quaternary stereocenter in moderate to good yields and excellent ee values. Key to the success of the reaction is the cooperative NHC-catalyzed generation of chiral alpha,beta-unsaturated acyl azoliums from enals, and base-mediated tandem generation of dienolate/enolate intermediates from pyrazolinones.
}, keywords = {annulation reactions, asymmetric catalysis, N-heterocyclic carbenes, organocatalysis, spiro compounds}, issn = {1433-7851}, doi = {10.1002/anie.201507802}, author = {Yetra, Santhivardhana Reddy and Mondal, Santigopal and Mukherjee, Subrata and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {42902, title = {Enantiospecific formal synthesis of inthomycin C}, journal = {Chemistry Select}, volume = {1}, year = {2016}, month = {MAR}, pages = {495{\textendash}497}, abstract = {
An enantiospecific synthesis of Hatakeyama{\textquoteright}s intermediate enynol has been accomplished in both enantiomeric forms. As these intermediates can be converted to (3R)-inthomycin C and (3S)-inthomycin C through respective enynol intermediates using reported procedures, present effort may be regarded as formal synthesis of inthomycin C in both enantiomeric forms. Our synthesis highlights the use of pantolactone chiral pool and thus reconfirms the previously assigned absolute stereochemistry as 3R to the natural product inthomycin C.
}, doi = {10.1002/slct.201600128}, author = {Athawale, Paresh R. and Kashinath, K. and Reddy, D. Srinivasa} } @article { ISI:000382587400004, title = {Encapsulation of yeast (Saccharomyces cereviciae) by spray drying for extension of shelf life}, journal = {Drying Technology}, volume = {34}, number = {11}, year = {2016}, month = {JAN}, pages = {1307-1318}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
The objective of the present work was to encapsulate yeast using different carrier materials and examine their efficacy in retaining viability of cells after spray drying. Slurry containing yeast cells along with known amount of carrier material (maltodextrin, corn starch, gum arabic, acacia gum, polyethylene glycol 8000, -cyclodextrin, and skimmed milk powder, one at a time) was added and served as feed. Among these carrier materials attempted, corn starch and maltodextrin showed the best results with respect to powder yield (59\%, w/w) and cell survival (80.5\%), respectively. However, considering both survival and powder yield (67 and 59\% w/w, respectively), corn starch was observed to be the most suitable carrier material.
}, keywords = {Cell viability, Encapsulation, freeze-drying, spray drying, Yeast}, issn = {0737-3937}, doi = {10.1080/07373937.2015.1112808}, author = {Chandralekha, A. and Tavanandi, A. Hrishikesh and Amrutha, N. and Hebbar, H. Umesh and Raghavarao, K. S. M. S. and Gadre, Ramchandra V.} } @article { ISI:000371608600013, title = {Endohedrally doped gold nanocages: efficient catalysts for O-2 activation and CO oxidation}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {10}, year = {2016}, month = {MAR}, pages = {7068-7074}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Gold nanocages are the most attractive catalytic materials as all the atoms in the cage type clusters reside on the surface, making them available for chemisorption by reacting molecules. Due to a hollow space at the center, their chemical and catalytic properties can be tuned effectively and easily by endohedral doping. While a significant experimental and theoretical understanding is currently available on the structural and electronic properties of doped gold cages, very little information is available on their reactivity and catalytic behavior. In the present work, with the help of density functional theory calculations we demonstrate that endohedral doping leads to a notable increase in the binding energy of molecular oxygen on the gold nanocages. The enhancement in the O-2 binding energy on the doped gold cages is also confirmed by a significant decrease in the Au-O and an increase in the O-O bond lengths, corroborated by a red shift (similar to 250 cm(-1)) in the O-O stretching frequency as compared to the pristine cage. Furthermore, interestingly, the doped gold cages show very low activation barriers for the environmentally important CO oxidation reaction as compared to the pristine gold cage. Importantly, the decrease in the barrier height is comparatively greater for the rate limiting step of O-O-C-O intermediate formation and as a result the CO oxidation is expected to be more facile on the doped gold cages. Thus, the current study highlights the role of heteroatom doping in imparting new chemical and catalytic properties to gold cages and is expected to spur further research in the design of efficient gold nanocatalysts.
}, issn = {1463-9076}, doi = {10.1039/c5cp05624a}, author = {Manzoor, Dar and Krishnamurty, Sailaja and Pal, Sourav} } @article {43578, title = {Engineering and in vitro evaluation of acid labile cholesterol tethered MG132 nanoparticle fortargeting ubiquitin-proteasome system in cancer}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {OCT}, pages = {5099-5106}, abstract = {In recent years, proteasome has evolved as one of the important alternative targets in cancer chemotherapy. However, selective targeting of proteasome system in cancer cells still remains a major challenge. To address this, a potent peptide based proteasome inhibitor MG132 was chemically conjugated with biocompatible-biodegradable cholesterol by acid cleavable hydrazone linkage. Spherical nanoparticles (MG132-NPs) were engineered from cholesterol-MG132 conjugate. Increased amount of free MG132 was released from these nanoparticles in acidic environment compared to physiological milieu in a slow and controlled manner. These MG132-NPs were taken up by breast cancer MCF7 cells into lysosomes within 6 h. Proteasome system was inhibited by these MG132-NPs leading to stabilization of beta-catenin, cyclin A and cyclin B in HEK-293T cells. Interestingly, MG132-NPs induced much improved cell death in drug resistant MDA-MB-231 cells with insignificant toxicity in healthy cells (HEK293 and L929) even in higher concentration.}, doi = {10.1002/slct.201601117}, author = {Ghosh, Chandramouli and Gupta, Neha and More, Piyush and Sengupta, Poulomi and Mallick, Abhik and Santra, Manas Kumar and Basu, Sudipta} } @article {43441, title = {Engineering crystals that facilitate the acyl-transfer reaction: insight from a comparison of the crystal structures of myo-inositol-1,3,5-orthoformate-derived benzoates and carbonates}, journal = {ACTA Crystallographica Section C-Structural Chemistry}, volume = {72}, year = {2016}, month = {NOV}, pages = {875-+}, abstract = {Minor variations in the molecular structure of constituent molecules of reactive crystals often yield crystals with significantly different properties due to altered modes of molecular association in the solid state. Hence, these studies could provide a better understanding of the complex chemical processes occurring in the crystalline state. However, reactions that proceed efficiently in molecular crystals are only a small fraction of the reactions that are known to proceed (with comparable efficiency) in the solution state. Hence, for consistent progress in this area of research, investigation of newer reactive molecular crystals which support different kinds of reactions and their related systems is essential. The crystal structures and acyl-transfer reactivity of a myo-inositol-1,3,5-orthoformate-derived dibenzoate and its carbonate (4-O-benzoyl-2-O-phenoxycarbonyl-myo-inositol 1,3,5-orthoformate, C21H18O9) and thiocarbonate (4-O-benzoyl-2-O-phenoxythiocarbonyl-myo-inositol 1,3,5-orthoformate, C21H18O8S) analogs are compared with the aim of understanding the relationship between crystal structure and acyl-transfer reactivity. Insertion of an O atom in the acyl (or thioacyl) group of an ester gives the corresponding carbonate (or thiocarbonate). This seemingly minor change in molecular structure results in a considerable change in the packing of the molecules in the crystals of myoinositol-1,3,5-orthoformate-derived benzoates and the corresponding carbonates. These differences result in a lack of intermolecular acyl-transfer reactivity in crystals of myo-inositol-1,3,5-orthoformate-derived carbonates. Hence, this study illustrates the sensitivity of the relative orientation of molecules, their packing and ensuing changes in the reactivity of resulting crystals to minor changes in molecular structure.}, doi = {10.1107/S205322961601603X}, author = {Tamboli, Majid I. and Krishanaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000379102600099, title = {Enhanced clathrate hydrate formation kinetics at near ambient temperatures and moderate pressures: Application to natural gas storage}, journal = {Fuel}, volume = {182}, year = {2016}, month = {OCT}, pages = {907-919}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
SNG (solidified natural gas) technology via clathrate hydrates is a potential method for large scale stationary storage of natural gas. Clathrate hydrate formation kinetics in presence of methane and 5.6 mol\% tetrahydrofuran (THF) was investigated in an unstirred reactor configuration at moderate pressure and temperature conditions. It is well known that the presence of THF generally improves the thermodynamic stability of the resulting hydrate. In order to study the scale-up potential of this approach, kinetics of hydrate growth at temperatures close to ambient conditions and moderate pressures is required. Hydrate formation experiments were performed at three different temperatures - 283.2 K, 288.2 K and 293.2 K and at experimental pressures of 7.2 MPa, 5.0 and 3.0 MPa. Further, we report a synergistic effect of kinetic promotion of mixed methane hydrate formation by coupling THF and sodium dodecyl sulfate (SDS) at 293.2 K. For the first time, we observe rapid mixed methane/THF hydrate formation kinetics at 293.2 K in presence of just 100 ppm sodium dodecyl sulfate surfactant with methane gas uptake of 3.45 (+/- 0.17) kmol/m(3) of water in 1 h. This is also the first study to demonstrate such rapid hydrate formation kinetics with significant methane storage capacity at temperature of 293.2 K (closer to the ambient temperature). Further, substantial methane gas uptake of 3.52 (+/- 0.13) kmol/m(3) of water is possible even at reduced experimental pressure of 3.0 MPa and 283.2 K in 2 h. Minimal energy requirement in an unstirred reactor for mixed methane/THF hydrate formation storage can propel the SNG technology for large scale commercial deployment. Further improvement in the process can be achieved by optimizing the cooling requirement through innovative reactor design and operating the process in a semi-batch or continuous mode. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Methane hydrates, Natural gas storage, Rapid kinetics, surfactant, Tetrahydrofuran, Unstirred reactor}, issn = {0016-2361}, doi = {10.1016/j.fuel.2016.05.068}, author = {Veluswamy, Hari Prakash and Kumar, Sharad and Kumar, Rajnish and Rangsunvigit, Pramoch and Linga, Praveen} } @article {43036, title = {Enhanced drug release by selective cleavage of cross-links in a double-cross-linked hydrogel}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {OCT}, pages = {102453-102461}, abstract = {
In the present paper, we report on the synthesis and characterization of redox sensitive double-cross-linked poly(acrylic acid) hydrogels using two different cross-linking agents, Jeffamine (R) and cystamine. The amount of two cross-linking agents was varied in order to synthesize hydrogels with different mechanical strengths. Jeffamine provides mechanical stability to the hydrogels while cystamine incorporates redox sensitivity. The stress values at the break point of the mono-and double-crosslinked hydrogels were determined from stress-strain plots. The disulphide bonds (S-S) in the cystamine were cleaved selectively in the presence of dithiothreitol, which increased the degree of hydrogel swelling. This phenomenon of in situ breaking of one cross-linking and increasing the swelling ratio could be used in swelling-controlled drug delivery systems. The implication of selective breaking of cross-links on the swelling-controlled release of the anticancer drug doxorubicin was demonstrated. We also successfully prepared Ag nanoparticles in the dual cross-linked hydrogels in order to incorporate antibacterial properties and studied their release by selective cleavage of cystamine bonds. These double-cross-linked hydrogels show great promise in drug delivery and tissue engineering applications.
}, doi = {10.1039/c6ra19443e}, author = {Tiwari, Neha and Badiger, Manohar V.} } @article {43336, title = {Enhanced electrochemical performance of polypyrrole coated MoS2 nanocomposites as electrode material for supercapacitor application}, journal = {Journal of Electroanalytical Chemistry}, volume = {782}, year = {2016}, month = {DEC}, pages = {278-287}, abstract = {Binary nanocomposites of polypyrrole (PPY) and Molybdenum disulfide (MoS2), with varying weight\% of MoS2 viz. MP1, MP2, and MP3 corresponding to 12.5, 25, and 50\% of MoS2 respectively, were prepared via. in-situ polymerization method. X-ray diffraction (XRD), field emission scanning microscopy (FESEM), and transmission electron microscopy (TEM) were employed to study the structure and morphology of the prepared nanocomposites. The electrochemical properties were studied by cyclic voltammetry (CV), galvanostatic charge-discharge (GCD), and electrochemical impedance spectroscopy (EIS) techniques. The nanocomposite electrode material MP2 reached a specific capacitance of 400 F/g at the current density 1 A/g which was higher than that of pure PPY and the other two nanocomposites viz. MP1 and MP3 having different compositions of MoS2 and PPY than that of MP2. It was noteworthy that the maximum capacitance value was obtained only for an optimum dose of MoS2 (MP2 in this case with 25\% of MoS2) and any deviation from which ultimately degraded the capacitive performance of the nanocomposite electrode material. This could be attributed to the occurrence of maximum interaction between MoS2 and PPY in the nanocomposite only at a particular concentration of its host materials. The results showed that the specific capacitance of MP2 nanocomposite declined by 7.2\% after 5000 cycles. Further, MP2 nanocomposite electrode showed much higher energy density (8.88 Wh/kg) as well as power density (2286 W/kg) which were higher than that shown by PPY electrode. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jelechem.2016.10.050}, author = {Thakur, Anukul K. and Choudhary, Ram Bilash and Majumder, Mandira and Gupta, Govind and Shelke, Manjusha V.} } @article { ISI:000377811100004, title = {Enhanced field emission behavior of layered MoSe2}, journal = {Materials Research Express}, volume = {3}, number = {3}, year = {2016}, month = {MAR}, pages = {Article Number: 035003}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Herein, we report one step facile chemical vapor deposition method for synthesis of single-layer MoSe2 nanosheets with average lateral dimension similar to 60 mu m on 300 nm SiO2/Si and n-type silicon substrates and field emission investigation of MoSe2/Si at the base pressure of similar to 1 x 10(-8) mbar. The morphological and structural analyses of the as-deposited single-layer MoSe2 nanosheets were carried out using an optical microscopy, Raman spectroscopy and atomic force microscopy. Furthermore, the values of turn-on and threshold fields required to extract an emission current densities of 1 and 10 mu A cm(-2), are found to be similar to 1.9 and similar to 2.3 V mu m(-1), respectively. Interestingly, the MoSe2 nanosheet emitter delivers maximum field emission current density of similar to 1.5 mA cm(-2) at a relatively lower applied electric field of similar to 3.9 V mu m(-1). The long term operational current stability recorded at the preset values of 35 mu A over 3 hr duration and is found to be very good. The observed results demonstrates that the layered MoSe2 nanosheet based field emitter can open up many opportunities for their potential application as an electron source in flat panel display, transmission electron microscope, and x-ray generation. Thus, the facile one step synthesis approach and robust nature of single-layer MoSe2 nanosheets emitter can provide prospects for the future development of practical electron sources.
}, keywords = {atomically thin nanosheets, chemical vapor deposition, field emission, layered MoSe2}, issn = {2053-1591}, doi = {10.1088/2053-1591/3/3/035003}, author = {Suryawanshi, Sachin R. and Pawbake, Amit S. and Pawar, Mahendra S. and Jadkar, Sandesh R. and More, Mahendra A. and Late, Dattatray J.} } @article { ISI:000368191100026, title = {Enhanced nucleation of polypropylene by metal-organic frameworks (MOFs) based on aluminium dicarboxylates: influence of structural features}, journal = {RSC Advances}, volume = {6}, number = {3}, year = {2016}, month = {DEC}, pages = {1907-1912}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Metal-organic frameworks (MOFs) based on aluminium dicarboxylates provide a new platform for the enhanced nucleation of isotactic polypropylene (iPP). For instance, aluminium dicarboxylates exhibit a unique butterfly-like structure similar to that of carboxylate-alumoxanes and correlates well with the nucleation characteristics of iPP. A subtle change in the structure of the ligand backbone (fumarate/succinate) does not alter the framework structure despite changing the hydrophilic/hydrophobic character and its subsequent nucleation characteristics. This suggests that the nucleating agent should facilitate favourable interaction with hydrophobic iPP for efficient nucleation. Further, a systematic variation of the alkyl chain length in the Al-dicarboxylate does not change the nucleation efficiency considerably, even though it increases the distance between the octahedral alumina chains in the metal-organic framework, suggesting that the butterfly-like structure present in the framework is a key aspect for nucleation. Finally, the significance of the orientational conformation of the dicarboxylate around the metal centre for the nucleation is confirmed by the poor nucleation efficiency of chromium and zirconium suberate MOFs where the orientation of suberate would be different from that of aluminium suberate due to the difference in the ligation of the carboxylate group. The present work thus provides valuable pathways for developing new nucleating agents based on MOFs with appropriate selection and orientation of the organic linkers around the metal centre.
}, issn = {2046-2069}, doi = {10.1039/c5ra22764j}, author = {Mani, Mohan Raj and Chellaswamy, Ramesh and Marathe, Yogesh N. and Pillai, Vijayamohanan K.} } @article {42831, title = {Enhancement in rate of photocatalysis upon catalyst recycling}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {OCT}, pages = {Article Number: 35075}, abstract = {
Recyclability is an important aspect for heterogeneous photo-catalysts. Ease of recovery and stability of the photo-catalyst in terms of efficiency over the number of cycles are highly desired and in fact it is ideal if the efficiency is constant and it should not decrease marginally with each cycle. Presented here is a seminal observation in which the photocatalytic activity is shown to improve with increasing number of catalytic cycles (it is 1.7 times better after the 1st cycle and 3.1 times better after the 2nd cycle). Specifically, nanorods of pure TiO2 and TiO2 doped with controlled amount of tungsten have been used to degrade two model pollutants: Phenol and Rhodamine B under exclusive visible light illumination. It was found that, in case of 1 mol.\% W incorporation, rate of photocatalysis and also the range of visible light absorption of the photocatalyst increased after the photocatalysis as compared to before photocatalysis. This aspect is unique for doped TiO2 and hence provides an intriguing way to mitigate low photoactivity.
}, doi = {10.1038/srep35075}, author = {Sorathiya, Kalpesh and Mishra, Biswajit and Kalarikkal, Abhishek and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S. and Khushalani, Deepa} } @article { ISI:000374350600073, title = {Enhancing the strain sensitivity of CoFe2O4 at low magnetic fields without affecting the magnetostriction coefficient by substitution of small amounts of Mg for Fe}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {15}, year = {2016}, month = {APR}, pages = {10516-10527}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Attaining high magnetostrictive strain sensitivity (d lambda/dH) with high magnetostriction strain (lambda) is desirable for sintered polycrystalline cobalt ferrite for various applications. It is shown that substitution of a small amount of Fe3+ by Mg2+ in CoMgxFe2-xO4 (x \< 0.1) gives a comparable maximum magnetostriction coefficient to that of the unsubstituted counterpart, with large improvement in the strain sensitivity at relatively low magnetic fields. A large increase in the magnetostriction coefficient is obtained at low magnetic fields for the substituted compositions. The magnetostriction parameters are further enhanced by magnetic field annealing of the sintered products. The results are analyzed based on powder XRD, Raman spectroscopy, XPS and magnetic measurements and based on the results from these studies, the changes in the magnetostriction parameters are correlated with the changes in the cation distribution, magnetic anisotropy and microstructure.
}, issn = {1463-9076}, doi = {10.1039/c6cp00369a}, author = {Anantharamaiah, P. N. and Joy, Pattayil Alias} } @inbook {45856, title = {Epilogue}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {737-743}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {This chapter recaptures the key points and the lessons learned from our experience in applying the material discussed in this book to addressing industrially relevant issues. Some comments on future trends in catalysis and catalytic processes are included. We hope that this book will stimulate further work on this very important area from an industrial as well as a scientific point of view.}, issn = {978-012801457-8}, doi = {10.1016/B978-0-12-801457-8.00017-3}, author = {Ranade, V. V. and Joshi, S. S.} } @article {43586, title = {Epoxide ring-opening reaction by using sol-gel-synthesized palladium supported on a strontium hydroxyl fluoride catalyst}, journal = {Comptes Rendus Chimie}, volume = {19}, year = {2016}, month = {OCT}, pages = {1237-1246}, abstract = {Palladium supported on a strontium hydroxyl fluoride catalyst was synthesized by a one-pot fluorolytic sol-gel method. The prepared catalyst was characterized by various physicochemical techniques. The sol-gel method has led to the formation of a high surface area (57 m(2)g(-1)), mesoporous (pore diameter = 13.0 nm) catalyst with uniform dispersion of Pd nanoparticles of size similar to 7 nm on the surface of strontium hydroxyl fluoride. The catalyst was used for epoxide alcoholysis, and 100\% conversion was obtained with 96\% selectivity for beta-alkoxy alcohols under mild conditions: The catalyst could be recycled for up to three catalytic cycles without any appreciable decrease in conversion and selectivity, indicating the stability of the catalyst under the reaction conditions. Further, the mechanism of alcoholysis was proposed on the basis of the physicochemical characteristics of the catalyst and on the basis of the products formed during the catalytic reaction. (C) 2016 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.}, doi = {10.1016/j.crci.2016.07.008}, author = {Acham, Vaibhav R. and Dongare, Mohan K. and Kemnitz, Erhard and Umbarkar, Shubhangi B.} } @article {43571, title = {ESP promoted "on water" click reaction: a highly economic and sustainable protocol for 1,4-disubstituted-1H-1,2,3-triazole synthesis at room temperature}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {NOV}, pages = {6016-6019}, abstract = {A highly economic and green protocol for azide-alkyne cyclo-addition reactions in water has been developed which offers a mild, practical and inexpensive basic alternative to the conventional protocols. The protocol uses readily available, considered as waste material, Egg Shell Powder (ESP) as an additive for CuAAC reaction. The reactions proceeded in water in presence of this basic waste material derived additive under {\textquoteright}external base/ligand/reducing agent/organic solvent{\textquoteright} free conditions affording good to excellent yields of the desired products.}, doi = {10.1002/slct.201601267}, author = {Konwar, Manashjyoti and Ali, Abdul A. and Chetia, Mitali and Saikia, Prakash J. and Khupse, Nageshwar D. and Sarma, Diganta} } @article {42946, title = {[Et3NH][HSO4] catalyzed efficient synthesis of 5-arylidene-rhodanine conjugates and their antitubercular activity}, journal = {Research on Chemical Intermediates}, volume = {42}, year = {2016}, month = {AUG}, pages = {6607-6626}, abstract = {
We have described a highly efficient, safer protocol for the synthesis of 5-arylidene-rhodanine conjugates catalyzed by Bronsted acidic ionic liquid [Et3NH][HSO4] in excellent yields. The protocol offers cost-effective, environmentally benign, solvent-free conditions and recycle-reuse of the catalyst. The synthesized 5-arylidene-rhodanine conjugates were characterized on the basis of (1) H NMR, C-13 NMR and HRMS spectral data. A series of 5-arylidene-rhodanine derivatives 3a-h, 4a-h were synthesized and evaluated for their in vitro antitubercular activity against dormant Mycobacterium tuberculosis H37Ra and M. bovis BCG strains. Moreover, compounds 3a, 3b, 3e, 3f, 3g, 3h and 4f exhibited good antitubercular activity and were also evaluated for anti-proliferative activity against MCF-7, A549 and HCT116 cell lines using modified MTT assay and found to be noncytotoxic. Compounds 3a-h and 4f were further screened for their antibacterial activity against four bacteria strains to assess their selectivity towards M. tuberculosis. Furthermore, in silico ADME prediction of all the tested compounds followed the criteria for orally active drug and, therefore, these compounds may have a good potential for eventual development as oral agents.
}, doi = {10.1007/s11164-016-2484-0}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Nawale, Laxman and Yeware, Amar and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {43436, title = {Evaluating the anticancer activity and nanoparticulate nature of homeopathic preparations of Terminalia chebula}, journal = {Homeopathy}, volume = {105}, year = {2016}, month = {NOV}, pages = {318-326}, abstract = {Background: Breast cancer is the most common cancer diagnosed among women and is the second leading cause of cancer death. Homeopathic medicines are part of the alternative medicines that are given as a supportive therapy in breast cancer. The objective of this study was to investigate the anticancer activity of commercially available homeopathic preparations of Terminalia chebula (TC) and evaluate their nanoparticulate nature. Methods: Mother tincture (MT) and other homeopathic preparations (3X, 6C and 30C) of TC were tested for their effect on the viability of breast cancer (MDAMB231 and MCF7) and non-cancerous (HEK 293) cell lines by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. Cell growth assay was performed to analyze the effect of the different potencies on the growth kinetics of breast cancer cells. MT and 6C were evaluated for the presence of nanoparticles by using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Results: MT decreased the viability of breast cancer (MDAMB231 and MCF7) and non-cancerous (HEK 293) cells. However, the other potencies (3X, 6C and 30C) decreased the viability of only breast cancer cells without affecting the viability of the non-cancerous cells. All the potencies, MT, 3X, 6C and 30C, reduced growth kinetics of breast cancer cells, more specifically at 1:10 dilution at 24, 48 and 72 h. Under SEM, MT appeared as a mesh-like structure whereas under TEM, it showed presence of nanoclusters. On the other hand, 6C potency contained 20 nm sized nanoparticles. Conclusion: The current study reports the anticancer activity of homeopathic preparations of TC against breast cancer and reveals their nanoparticulate nature. These preliminary results warrant further mechanistic studies at both in vitro and in vivo levels to evaluate the potential of TC as nanomedicine in breast cancer.}, doi = {10.1016/j.homp.2016.02.004}, author = {Wani, Kirtee and Shah, Nilesh and Prabhune, Asmita and Jadhav, Arun and Ranjekar, Prabhakar and Kaul-Ghanekar, Ruchika} } @article {43434, title = {Evaluation of uttroside B, a saponin from Solanum nigrum Linn, as a promising chemotherapeutic agent against hepatocellular carcinoma}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {NOV}, pages = {Article Number: 36318}, abstract = {We report, for the first time, the remarkable efficacy of uttroside B, a potent saponin from Solanum nigrum Linn, against liver cancer. The compound has been isolated and characterized from the leaves of Solanum nigrum Linn, a plant widely used in traditional medicine and is a rich resource of several anticancer molecules. Uttroside B, that comprises of beta-D-glucopyranosyl unit at C-26 of the furostanol and beta-lycotetraosyl unit at C-3, is ten times more cytotoxic to the liver cancer cell line, HepG2 (IC50: 0.5 mu M) than sorafenib (IC50: 5.8 mu M), the only FDA-approved drug for liver cancer. Moreover, it induces cytotoxicity in all liver cancer cell lines, irrespective of their HBV status, while being non-toxic to normal immortalized hepatocytes. It induces apoptosis in HepG2 cells by down-regulating mainly the activation of MAPK and mTOR pathways. The drastic reduction in HepG2-xenograft tumor size achieved by uttroside B in NOD-SCID mice and substantiation of its biological safety through both acute and chronic toxicity studies in Swiss albino mice warrants clinical validation of the molecule against hepatic cancer, for which, the chemotherapeutic armamentarium currently has limited weapons.}, doi = {10.1038/srep36318}, author = {Nath, Lekshmi R. and Gorantla, Jaggaiah N. and Thulasidasan, Arun Kumar T. and Vijayakurup, Vinod and Shah, Shabna and Anwer, Shabna and Joseph, Sophia M. and Antony, Jayesh and Veena, Kollery Suresh and Sundaram, Sankar and Marelli, Udaya K. and Lankalapalli, Ravi S. and Anto, Ruby John} } @article { ISI:000367968700030, title = {Evidence for dry molten globule-like domains in the pH-induced equilibrium folding intermediate of a multidomain protein}, journal = {Journal of Physical Chemistry Letters}, volume = {7}, number = {1}, year = {2016}, month = {JAN}, pages = {173-179}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The role of van der Waals (vdW) packing interactions compared to the hydrophobic effect in stabilizing the functional structure of proteins is poorly understood. Here we show, using fluorescence resonance energy transfer, dynamic fluorescence quenching, red-edge excitation shift, and near- and far-UV circular dichroism, that the pH-induced structural perturbation of a multidomain protein leads to the formation of a state in which two out of the three domains have characteristics of dry molten globules, that is, the domains are expanded compared to the native protein with disrupted packing interactions but have dry cores. We quantitatively estimate the energetic contribution of vdW interactions and show that they play an important role in the stability of the native state and cooperativity of its structural transition, in addition to the hydrophobic effect. Our results also indicate that during the pH-induced unfolding, side-chain unlocking and hydrophobic solvation occur in two distinct steps and not in concerted manner, as commonly believed
}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.5b02545}, author = {Acharya, Nirbhik and Mishra, Prajna and Jha, Santosh Kumar} } @article {45635, title = {Evolution of specific 3 {\textquoteleft}-5 {\textquoteleft}-linkages in RNA in pre-biotic soup: a new hypothesis}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, year = {2016}, month = {NOV}, pages = {10123-10133}, type = {Article}, abstract = {
This article reviews the different possibilities towards progression of the formation of DNA/RNA in the chemical world, before life, in enzyme-free conditions. The advent of deoxyribo- and ribopentose-sugars, nucleosides, nucleotides and oligonucleotides in the prebiotic soup is briefly discussed. Further, the formation of early single stranded oligomers, base-pairing possibilities and information transfer based on the stability parameters of the derived duplexes is reviewed. Each theory has its own merits and demerits which we have elaborated upon. Lastly, using clues from this literature, a possible explanation for the specific 3{\textquoteright}-5{\textquoteright}-linkages in RNA is proposed.
}, issn = {1477-0520}, doi = {10.1039/c6ob01796g}, author = {Kumar, Vaijayanti A.} } @article { ISI:000382207700055, title = {Exfoliated 2D black phosphorus nanosheets: field emission studies}, journal = {Journal of Vacuum Science \& Technology B}, volume = {34}, number = {4}, year = {2016}, month = {JUL}, pages = {041803}, publisher = {A V S AMER INST PHYSICS}, address = {STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA}, abstract = {
A few layer black phosphorus (BP) nanosheets are obtained by micromechanical cleavage from a bulk BP crystal. In a typical exfoliation procedure, a layer of BP is peeled off from bulk crystal with the help of Scotch tape and transferred onto SiO2/Si and pristine Si substrates. The morphological and structural analyses of the samples were carried out using an optical microscopy, a transmission electron microscopy, and a Raman spectroscopy. Field emission investigations on a few layered BP nanosheets on Si substrate were carried out at the base pressure of 1 x 10(-8) mbar. The turn-on value, corresponding to emission current density of similar to 1 mu A/cm(2), is found to be similar to 5.1V/mu m for BP nanosheets/Si emitter and high field enhancement factor (beta) similar to 1164, attributed to atomically thin/sharp edges of the BP nanosheets. The emission current shows good stability at a preset value of similar to 5 mu A over a period of more than 8 h. The present results demonstrate the potential of the mechanically exfoliated BP nanosheets/Si field emitter for the development of practical electron sources. (C) 2016 American Vacuum Society.
}, issn = {1071-1023}, doi = {10.1116/1.4945433}, author = {Suryawanshi, Sachin R. and More, Mahendra A. and Late, Dattatray J.} } @article {42693, title = {Expedient cobalt-catalyzed C{\textendash}H alkynylation of (enantiopure) benzylamines}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {OCT}, pages = {5252-5255}, abstract = {
A unified strategy for cobalt-catalyzed ortho-C-H bond alkynylation of benzylamines is reported. Simple, commercially available CoBr2 was used as a cobalt source. The developed alkynylation strategy is robust and efficient and has a broad substrate scope including 1 degrees, 2 degrees, and 3 degrees benzylamines. The mechanistic study shows that C-H bond cleavage is reversible, and the kinetic study illustrates that the rate of reaction depends solely on the catalyst.
}, keywords = {Terminal Alkynes; Bond Activation; Directed Functionalization;Aminoquinoline Benzamides; Ortho-C(Sp(2))-H Bonds; Mechanistic Insights; Selective Access; Carbon-Hydrogen; Nickel; Annulation}, doi = {10.1021/acs.orglett.6b02549}, author = {Landge, Vinod Gokulkrishna and Midya, Siba Prasad and Rana, Jagannath and Shinde, Dinesh R. and Balaraman, Ekambaram} } @article { ISI:000378508900020, title = {Experimental and computational analysis of supramolecular motifs involving C-sp2(aromatic)-F and CF3 groups in organic solids}, journal = {New Journal of Chemistry}, volume = {40}, number = {6}, year = {2016}, month = {JUN}, pages = {4981-5001}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A detailed experimental (SCXRD) and theoretical (PIXEL and QTAIM) investigation of the evolution of different supramolecular motifs formed via the presence of both C(sp(2))/(sp(3))-F groups in the crystal packing has been performed in a series of newly synthesized substituted benzanilides (containing {\textquoteleft}{\textquoteleft}both{\textquoteright}{\textquoteright} the fluorine and the trifluoromethyl group in the same molecule) along with previously reported similarly related crystal structures [CrystEngComm, 2008, 10, 54-67; CrystEngComm, 2012, 14, 1972-1989, CrystEngComm, 2013, 15, 3711-3733]. It was observed that the highest stabilized molecular motifs primarily consist of C(sp(2))-H center dot center dot center dot F-C(sp(2)) H-bonds in preference to C(sp(2))-H center dot center dot center dot F-C(sp(3)) H-bonds in the crystal. The motifs involving C(sp(2))-H center dot center dot center dot F-C(sp(2))/(sp(3)) H bonds were observed to be present over the entire distance range between 2.2 and 2.7 angstrom, albeit the difference in energies of stabilization involving fluorine atoms attached to sp(2) and sp(3) carbon is not significant in molecular crystals. From QTAIM analysis, the C(sp(2))/(sp(3))-F center dot center dot center dot F-C(sp(2))/(sp(3)) interactions were observed to be a closed shell in nature and provide local stabilization, indicating the formation of bonds, similar to weak hydrogen bonds observed in crystals.
}, issn = {1144-0546}, doi = {10.1039/c5nj03211c}, author = {Panini, Piyush and Gonnade, Rajesh G. and Chopra, Deepak} } @article {43401, title = {Experimental investigation to elucidate why tetrahydrofuran rapidly promotes methane hydrate formation kinetics: applicable to energy storage}, journal = {Journal of Physical Chemistry C}, volume = {120}, year = {2016}, month = {DEC}, pages = {29062-29068}, abstract = {Methane storage as SNG (solidified natural gas) in the form of clathrate hydrates is an emerging, economically feasible and environmentally benign technology for large scale storage. Mixed tetrahydrofuran (THF)-methane (CH4) hydrates offer a paradigm shift to milder storage conditions and faster hydrate formation kinetics, providing a promising scenario to scale up the SNG technology. In this work, we synthesize mixed THF-CH4 hydrates in a high pressure microdifferential scanning calorimeter (HP mu-DSC) to elucidate the two-step hydrate formation mechanism of mixed THF-CH4 hydrate identifying the synergism between THF and CH4. Heat flow change during hydrate formation and dissociation of mixed THF-CH4 hydrates formed in the presence of 5.56 mol \% THF (stoichiometric composition) were monitored. The two step-mechanism of mixed THF-CH4 hydrate formation was further confirmed by the pressure-temperature profile and visual observations with a sample volume scale -up of about 350 times that of mu-DSC experiments.}, doi = {10.1021/acs.jpcc.6b11995}, author = {Kumar, Asheesh and Daraboina, Nagu and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000379484200023, title = {Exploration of magnetically separable Ag@AgxNiy core/graded-alloy-shell nanostructures}, journal = {Chemical Communications}, volume = {52}, number = {56}, year = {2016}, month = {JUN}, pages = {8737-8740}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report novel bimetallic Ag@AgxNiy core@graded-alloy-shell nanoparticles (CGAS NPs), i.e. single Ag core NPs shelled by an AgxNiy graded alloy and stabilized by the CTAB surfactant employing a novel synthesis method. These Ag@AgxNiy CGAS NPs demonstrated superior catalytic performance in the synthesis of biologically active 3-amino alkylated indoles under green conditions.
}, issn = {1359-7345}, doi = {10.1039/c6cc04087j}, author = {Kumar, Mukesh and Soni, Kiran and Satpati, Biswarup and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article { ISI:000377515200041, title = {Exploration of the diastereoselectivity in an unusual Grignard reaction and its application towards the synthesis of styryl lactones 7-epi-(+)-goniodiol and 8-epi-(-)-goniodiol}, journal = {RSC Advances}, volume = {6}, number = {56}, year = {2016}, month = {MAY}, pages = {50721-50725}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An unusual diastereoselective Grignard reaction is explored, where the Grignard reagents are derived from 1,n-dihaloalkanes. A steric bias due to the presence of a quaternary centre adjacent to the acetonide ester at the benzylic position is responsible for the formation of an intramolecularly reduced product in almost quantitative yield. This steric hindrance is responsible for the diastereoselectivity observed with a variety of aromatic as well as aliphatic esters. The unusual Grignard reaction furnishes long chain secondary alcohols possessing a terminal olefin, which are synthetically important intermediates. As an application of this method, the diastereoselective synthesis of styryl lactones viz. 7-epi-(+)-goniodiol (29) and 8-epi(-)-goniodiol (30) has been achieved.
}, issn = {2046-2069}, doi = {10.1039/c6ra03192g}, author = {Chavan, Subhash P. and Khatod, Harshali S. and Das, Tamal and Vanka, Kumar} } @article { ISI:000381418000086, title = {Exploration of the presence of bulk-like water in AOT reverse micelles and water-in-oil nanodroplets: the role of charged interfaces, confinement size and properties of water}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {31}, year = {2016}, month = {AUG}, pages = {21767-21779}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The properties of water in a confined environment can be drastically different than the bulk water. In a confined system, e.g. the interior of a reverse micelle, there exist at least two distinct regions namely {\textquoteleft}{\textquoteleft}interfacial water{\textquoteright}{\textquoteright} characterized by markedly slower dynamics, and {\textquoteleft}{\textquoteleft}core water{\textquoteright}{\textquoteright}, which may resemble bulk water for a larger size of the water pool. Using atomistic molecular dynamics simulations, we systematically investigate the presence of bulk-like water in AOT reverse micelles (RMs) with varying size given by w(0) = [H2O]/[AOT] = 10, 15 and 20. In order to understand the effect of the negatively charged interface of the RM, we have performed control studies for the model systems of water-in-oil (isooctane) nanodroplets with the same size of the water pool as the RM systems. In order to quantify the deviations from bulk-like behavior, we have used three kinds of structural order parameters, namely (i) number density to probe the local translational ordering, (ii) tetrahedral order and hydrogen bond distribution to probe the local orientational ordering, and (iii) dipolar orientation relative to the radial vector to capture the global orientational ordering of the water dipoles. We demonstrate that the size of the {\textquoteleft}{\textquoteleft}core water{\textquoteright}{\textquoteright} region that resembles bulk water decreases in the above order, i.e. orientational order parameters of water molecules are perturbed by the charged interface to a larger length scale as compared to the translational order. We have compared the translational and rotational dynamics of the water molecules for the interfacial and core regions to find that the slower dynamics persists even for the core water for the size range that we have studied although to a much lesser extent as compared to the interfacial water. Moreover, we demonstrate that the hydrophobic interface in the water-in-oil nanodroplets has a much weaker effect on the structure and dynamics of the confined water molecules as compared to the anionic RMs. Thus, the major contribution towards the structural ordering and slow dynamics of water in a charged RM system would originate from the strong electrostatic and hydrogen bonded interactions with the interface, and not due to the spatial confinement effect.
}, issn = {1463-9076}, doi = {10.1039/c6cp04378j}, author = {Hande, Vrushali R. and Chakrabarty, Suman} } @article { ISI:000366590300006, title = {Exploring activity differences between the hydroformylation catalysts: Insights from theory}, journal = {Journal of Organometallic Chemistry}, volume = {801}, year = {2016}, month = {JAN}, pages = {30-41}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Hydroformylation catalysis is the most important homogeneous catalysis process of the current day. The current computational investigation aims to understand the nature of the hydroformylation process when monodentate ligands are employed. The complete catalytic cycle for different monodentate ligands bound to the rhodium center has been studied with full quantum chemical calculations, with density functional theory (DFT). To the best of our knowledge, this is the first systematic investigation of the relative free energy surfaces for mono-coordinate monodentate and bi-coordinated monodentate ligands in hydroformylation catalysis. The results indicate that the barriers are lower for the mono-coordinate monodentate species in comparison to the bi-coordinate monodentate, for all the ligand cases studied, indicating higher activity for the mono-coordinate monodentate active species. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Density functional theory (DFT) calculations, Hydroformylation, Monodentate, Rhodium}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2015.10.015}, author = {Dangat, Yuvraj B. and Rizvi, Masood Ahmad and Pandey, Pippalad and Vanka, Kumar} } @article { ISI:000373630800015, title = {Exploring the reducing role of boron: added insights from theory}, journal = {Dalton Transactions}, volume = {45}, number = {14}, year = {2016}, month = {NOV}, pages = {5978-5988}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Carbon-carbon coupling in CO molecules is a challenging proposition, and very few main group complexes have been shown to effect this process. A recently reported triply bonded diboryne system (1) is notable for coupling four CO molecules to produce a (bis) boralactone species. The current full quantum chemical computational investigation with density functional theory (DFT) provides important insights into the nature of the CO coupling process by triply bonded diboryne systems. The complete reaction pathway leading to the formation of the (bis) boralactone has been determined. Factors that make this system so successful in coupling CO groups have been elucidated, and pertinent issues, such as why the coupling process stops after four CO additions, have been explored. Also, importantly, insights have been gained through the natural bond orbital (NBO) analysis into how the back-donation from diboryne activates CO.
}, issn = {1477-9226}, doi = {10.1039/c5dt03799a}, author = {Dangat, Yuvraj B. and Vanka, Kumar} } @article { ISI:000368829000007, title = {Expression of proteins involved in digestion and detoxification are regulated in helicoverpa armigera to cope up with chlorpyrifos insecticide}, journal = {Insect Science}, volume = {23}, number = {1}, year = {2016}, month = {FEB}, pages = {68-77}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Helicoverpa armigera is a key pest in many vital crops, which is mainly controlled by chemical strategies. To manage this pest is becoming challenging due to its ability and evolution of resistance against insecticides. Further, its subsequent spread on nonhost plant is remarkable in recent times. Hence, decoding resistance mechanism against phytochemicals and synthetic insecticides is a major challenge. The present work describes that the digestion, defense and immunity related enzymes are associated with chlorpyrifos resistance in H. armigera. Proteomic analysis of H. armigera gut tissue upon feeding on chlorpyrifos containing diet (CH) and artificial diet (AD) using nano-liquid chromatography-mass spectrometry identified upregulated 23-proteins in CH fed larvae. Database searches combined with gene ontology analysis revealed that the identified gut proteins engrossed in digestion, proteins crucial for immunity, adaptive responses to stress, and detoxification. Biochemical and quantitative real-time polymerase chain reaction analysis of candidate proteins indicated that insects were struggling to get nutrients and energy in presence of CH, while at the same time endeavoring to metabolize chlorpyrifos. Moreover, we proposed a potential processing pathway of chlorpyrifos in H. armigera gut by examining the metabolites using gas chromatography-mass spectrometry. H. armigera exhibit a range of intriguing behavioral, morphological adaptations and resistance to insecticides by regulating expression of proteins involved in digestion and detoxification mechanisms to cope up with chlorpyrifos. In these contexts, as gut is a rich repository of biological information; profound analysis of gut tissues can give clues of detoxification and resistance mechanism in insects.
}, keywords = {chlorpyrifos, Helicoverpa armigera, insecticide resistance, proteomics, real-time PCR}, issn = {1672-9609}, doi = {10.1111/1744-7917.12177}, author = {Dawkar, Vishal V. and Chikate, Yojana R. and More, Tushar H. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000379991000011, title = {Extension of the effective fragment potential method to macromolecules}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {27}, year = {2016}, month = {JUL}, pages = {6562-6574}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The effective fragment potential (EFP) approach, which can be described as a nonempirical polarizable force field, affords an accurate first-principles treatment of noncovalent interactions in extended systems. EFP can also describe the effect of the environment on the electronic properties (e.g., electronic excitation energies and ionization and electron-attachment energies) of a subsystem via the QM/EFP (quantum mechanics/EFP) polarizable embedding scheme. The original formulation of the method assumes that the system can be separated, without breaking covalent bonds, into closed-shell fragments, such as solvent and solute molecules. Here, we present an extension of the EFP method to macromolecules (mEFP). Several schemes for breaking a large molecule into small fragments described by EFP are presented and benchmarked. We focus on the electronic properties of molecules embedded into a protein environment and consider ionization, electron-attachment, and excitation energies (single-point calculations only). The model systems include chromophores of green and red fluorescent proteins surrounded by several nearby amino acid residues and phenolate bound to the T4 lysozyme. All mEFP schemes show robust performance and accurately reproduce the reference full QM calculations. For further applications of mEFP, we recommend either the scheme in which the peptide is cut along the C-alpha-C bond, giving rise to one fragment per amino acid, or the scheme with two cuts per amino acid, along the C-alpha-C and C-alpha-N bonds. While using these fragmentation schemes, the errors in solvatochromic shifts in electronic energy differences (excitation, ionization, electron detachment, or electron-attachment) do not exceed 0.1 eV. The largest error of QM/mEFP against QM/EFP (no fragmentation of the EFP part) is 0.06 eV (in most cases, the errors are 0.01-0.02 eV). The errors in the QM/molecular mechanics calculations with standard point charges can be as large as 0.3 eV.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b04166}, author = {Gurunathan, Pradeep Kumar and Acharya, Atanu and Ghosh, Debashree and Kosenkov, Dmytro and Kaliman, Ilya and Shao, Yihan and Krylov, Anna I. and Slipchenko, Lyudmila V.} } @article {43610, title = {F and CF3 substituted solution processable oligo para-phenylenevinylene for ambipolar and hole-transporting organic field effect transistors}, journal = {Chemical Physics Letters}, volume = {657}, year = {2016}, month = {JUL}, pages = {26-32}, abstract = {We have synthesized benzotrifluoromethyl group substituted para-phenylenevinylene oligomer (denoted as PI) and a cooligomer (denoted as PII) by Gilch polymerization route. The ambipolar field-effect transistor (FET) material PI shows hole and electron mobility 1 x 10 (4) cm(2) V (1) s (1) and 2 x 10 (5) cm(2) V (1) s (1) respectively. PII shows only hole mobility as high as 0.05 cm(2) V (1) s (1) as p-type material. This work highlights the progress of hole-transporting as well as ambipolar material for para-phenylenevinylene derivatives. The results are enlightened on the basis of presence of electronegative substituents and structural modification of the oligomer backbone. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cplett.2016.05.042}, author = {Chini, Mrinmoy Kumar and Das, Chayanika and Chatterjee, Shyambo} } @article { ISI:000378295200030, title = {Facile access to a Ge(II) dication stabilized by isocyanides}, journal = {Chemical Communications}, volume = {52}, number = {50}, year = {2016}, month = {MAY}, pages = {7890-7892}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein, we introduce isocyanide as a ligand in main group chemistry and describe the facile isolation of a Ge(II) dication. The reaction of 2,6-dimethylphenylisocyanide with GeCl2 leads to the formation of a Ge(II) dication with two [GeCl3](-) molecules as counter anions. The dicationic Ge(II) center is bound to four isocyanide ligands and also holds a lone pair of electrons. DFT calculations reveal that the dication is stabilized only by sigma-donation from the four isocyanide ligands. Natural population analysis gives a charge of +0.74 on the Ge(II) center, indicating that the positive charge is shared by the isocyanide substituents.
}, issn = {1359-7345}, doi = {10.1039/c6cc03789e}, author = {Swamy, V. S. V. S. N. and Yadav, Sandeep and Pal, Shiv and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {43604, title = {Facile approach towards fabrication of GdB6-ZnO heteroarchitecture as high currentdensity cold cathode}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {AUG}, pages = {3723-3729}, abstract = {Three dimensional (3D) GdB6-ZnO heteroarchitecture comprised of thin coating of GdB6 on self aligned ZnO urchins with pointed apex has been synthesized employing optimized Pulsed Laser Deposition (PLD) technique. The self aligned ZnO urchins on Zn substrate were obtained using hydrothermal route. The as-synthesized GdB6-ZnO heteroarchitecture was characterized using XRD, SEM, TEM XPS, and UPS in order to reveal its structural, morphological, chemical, and electronic properties. Interestingly, the GdB6-ZnO heteroarchitecture exhibits superior field emission (FE) behviour in contrast to the pristine ZnO urchins envisaged by extraction of very high emission current density of similar to 4.6 mA/cm(2) at an applied field of similar to 4.5 V/mm, against similar to 1.5 mA/cm(2) at an applied field of similar to 5.6 V/mm from the pristine ZnO urchins emitter. Furthermore, the GdB6-ZnOemitter exhibits good emission stability at pre-set value of similar to 5 mA over duration of more than 3 hours. The superior FE behaviour of the GdB6-ZnO is attributed to low work-function of GdB6 and presence of nanometric protrusions on the emitter surface, further enhancing the aspect ratio provided by the ZnO urchins. The present results demonstrate a facile approach towards fabrication of high current density cold cathodes due to rare earth hexaborides via designing hetero-architectures comprised of their well adherent ultrathin coating on high aspect ratio metal oxide nanostructures.}, doi = {10.1002/slct.201600956}, author = {Suryawanshi, Sachin R. and Mistari, Chetan D. and Singh, Anil K. and Phase, Deodatta M. and Late, Dattatray J. and Sinha, Sucharita and More, Mahendra A.} } @article { ISI:000377604100021, title = {Facile green synthesis of BCN nanosheets as high-performance electrode material for electrochemical energy storage}, journal = {Chemistry-A European Journal}, volume = {22}, number = {21}, year = {2016}, month = {MAY}, pages = {7134-7140}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Two-dimensional hexagonal boron carbon nitride (BCN) nanosheets (NSs) were synthesized by new approach in which a mixture of glucose and an adduct of boric acid (H3BO3) and urea (NH2CONH2) is heated at 900 degrees C. The method is green, scalable and gives a high yield of BCN NSs with average size of about 1 mm and thickness of about 13 nm. Structural characterization of the as-synthesized material was carried out by several techniques, and its energy-storage properties were evaluated electrochemically. The material showed excellent capacitive behaviour with a specific capacitance as high as 244 F g(-1) at a current density of 1 A g(-1). The material retains up to 96\% of its initial capacity after 3000 cycles at a current density of 5 A g(-1).
}, keywords = {boron, Doping, Electrochemistry, Nanoparticles, nitrides}, issn = {0947-6539}, doi = {10.1002/chem.201505225}, author = {Karbhal, Indrapal and Devarapalli, Rami Reddy and Debgupta, Joyashish and Pillai, Vijayamohanan K. and Ajayan, Pulickel M. and Shelke, Manjusha V.} } @article {45857, title = {Facile O-glycosylation of glycals using Glu-Fe3O4-SO3H, a magnetic solid acid catalyst}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {AUG}, pages = {30846-30851}, type = {Article}, abstract = {A new glucose derived magnetic solid acid catalyst (Glu-Fe3O4-SO3H) was synthesized in a convenient and ecofriendly manner and well characterized using FTIR, PXRD, EDAX, SEM, and XPS which showed the presence of Fe3O4 embedded on the surface of the catalyst along with -SO3H, -OH and -COOH functional groups. This new heterogeneous catalyst was studied for synthesis of 2-deoxy galactosides/glucosides with good yields and selectivity. Moreover, the catalyst can be easily separated from the reaction with an external magnetic force and reused for a minimum of four times without any significant decrease in the yields of the products after every recycle}, doi = {10.1039/c6ra03305a}, author = {Thombal, R. S. and Jadhav, V. H.} } @article {42847, title = {Facile strategy for accessing 3-alkynylchromones through gold-catalyzed alkynylation/cyclization of o-hydroxyarylenaminones}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {SEP}, pages = {12306-12309}, abstract = {
A strategy based on tandem alkynylation of o-hydroxyarylenaminones followed by intramolecular cyclization has been developed to generate a diverse array of 3-alkynyl chromones. The functionality embedded in these key intermediates enables their facile elaboration into more diverse structures by a variety of functionalizations and ring-forming processes.
}, doi = {10.1039/C6CC07119H}, author = {Akram, Manjur O. and Bera, Saibal and Patil, Nitin T.} } @article { ISI:000371344600012, title = {Facile synthesis of 1,3-thiazolidin-4-ones as antitubercular agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {7}, year = {2016}, month = {APR}, pages = {1704-1708}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
We have developed, highly efficient, one-pot, solvent-free, [Et3NH][HSO4] catalyzed multicomponent reaction protocol for the synthesis of 1,3-thiazolidin-4-ones in excellent yields. For the first time, the 1,3-thiazolidin-4-ones were evaluated in vitro for their antimycobacterial activity against Mycobacterium tuberculosis dormant MTB H37Ra and Mycobacterium bovis BCG strains. Among the synthesized basic 1,3-thiazolidin-4-ones, particularly the compounds 4c, 4d, 4e, 4f, 4h, 4i and 4j displays promising antitubercular activity along with no significant cytotoxicity against the cell lines MCF-7, A549 and HCT-116. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Antitubercular, Cytotoxicity, Green protocol, Multicomponent reaction}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.02.056}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Arkile, Manisha A. and Yeware, Amar and Sarkar, Dhiman and Shingate, Bapurao B.} } @article { ISI:000373993600011, title = {Facile synthesis of new N-sulfonamidyl-4-thiazolidinone derivatives and their biological evaluation}, journal = {New Journal of Chemistry}, volume = {40}, number = {4}, year = {2016}, month = {FEB}, pages = {3047-3058}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The one-pot three-component syntheses of new N-sulfonamide-thiazolidin-4-one derivatives were carried out in excellent yield using [HDBU][HSO4] as an ionic liquid under solvent-free conditions. The newly synthesized compounds were screened against fungal strains and a number of compounds were seen to display excellent antifungal activity. In addition, the synthesized compounds were screened for their scavenging activity of the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical and showed very good antioxidant activity. Finally, theoretical predictions derived from molecular docking studies against the potential target sterol 14 alpha-demethylase (CYP51) helped establish a link between the observed biological activity and the binding affinity, thereby providing insights into the specific bonding and non-bonding interactions governing the activity.
}, issn = {1144-0546}, doi = {10.1039/c6nj00021e}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Khedkar, Vijay M. and Shingate, Bapurao B.} } @article {45858, title = {Fate of inorganic nanoparticles in agriculture}, journal = {Advanced Materials Letters}, volume = {7}, year = {2016}, month = {JAN}, pages = {3-12}, type = {Review}, abstract = {
In modern world, engineered nanoparticles (ENPs) are increasingly becoming an important component of daily life. They are becoming an integral part of a wide range of man-made products including electronics, paints, biomedical products, sunscreens, clothing, automobiles, etc. Rapid progress in the manufacturing of ENPs and the subsequent increase in its commercial applications always have had an impact on agriculture due to the exposure of living things to these ENPs. Also, human beings are directly dependent on the plants because of their nutritional values. Hence, the impact of nanoparticles on agricultural soil and plants is always of topical interest. It is imperative to be aware of the effects of nanoparticles on soil as well as on the soil ecosystem it supports especially the soil microbes and plants; or more specifically whether they have an influence on the agricultural yield and agri-economy. It is also important to study the effects of man-made nanomaterials on the properties of agricultural soil. This work reviews some of the key features of the impact of ENPs on the environment and the fate of ENPs in agriculture.
}, doi = {10.5185/amlett.2016.6048}, author = {Phogat, N. and Khan, S. A. and Shankar, S. and Ansary, A. A. and Uddin, I.} } @conference {45825, title = {Field emission investigation of composites of polypyrrole with graphene oxide, reduced graphene oxide and graphene nanoribbons}, booktitle = {2016 29th International Vacuum Nanoelectronics Conference (IVNC)}, year = {2016}, month = {JUL}, publisher = {IEEE; IEEE Electron Devices Soc; ZEISS; Modern Electron; Amer Vacuum Soci; Paul Scherrer Inst; Elect \& Comp Engn; Univ British Columbia, Peter Wall Inst Adv Studies; Dept Elect \& Comp Engn}, organization = {IEEE; IEEE Electron Devices Soc; ZEISS; Modern Electron; Amer Vacuum Soci; Paul Scherrer Inst; Elect \& Comp Engn; Univ British Columbia, Peter Wall Inst Adv Studies; Dept Elect \& Comp Engn}, address = {345 E 47th St, New York,NY 10017 USA}, abstract = {
The monomer pyrrole has been polymerized by chemical route in the presence of graphene oxide (GO), reduced graphene oxide (rGO) and graphene nanoribbons (GNR) separately to prepare nanocomposites as Polypyrrole-GO (PGO), PPy-rGO (PRGO), PPy-GNR (PGNR), respectively. The morphological, chemical and structural characterization of the as-synthesized products was carried out using scanning electron microscopy (SEM), Raman and fourier transform infrared (FTIR) spectroscopy. Field emission (FE) studies of PGO, PRGO, PGNR emitters were performed at the base pressure of 1x10(-8) mbar in planar {\textquoteleft}diode{\textquoteright} configuration. Onset and threshold field values corresponding to emission current densities of 1 and 100 mu A/cm(2) are observed to be 1.5 and 2.3V/mu m for PGO, 1.4 and 2.2 V/mu m for PRGO and lowest for PGNR as 0.9 and 1.2V/mu m, respectively. The maximum emission current density of 2.5 mA/cm(2) drawn for PGO at the applied electric field of 3.2V/mu m, 1.2 mA/cm(2) at 3.6V/mu m from the PRGO and 8 mA/cm(2) at the field of 2.2 V/mu m from the PGNR emitters. An emission current versus time (I-t) plot shows stable emission behavior for the preset current values.
}, keywords = {field emission, FTIR, polypyrrole, Raman}, isbn = {978-1-5090-2419-3}, author = {Harpale, Kashmira and Bansode, Sanjeewani and More, Mahendra and Late, D. J.} } @article { ISI:000369516100068, title = {Field emission properties of highly ordered low-aspect ratio carbon nanocup arrays}, journal = {RSC Advances}, volume = {6}, number = {12}, year = {2016}, month = {JAN}, pages = {9932-9939}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Herein, we design and develop a field emission device utilizing highly porous carbon nanocup (CNC) films. These three-dimensional (3D) low-aspect ratio CNC structures were fabricated by a combination of anodization and chemical vapor deposition techniques. The low turn-on fields of 2.30 V mu m(-1) were observed to draw an emission current density of 1 mu A cm(-2) and a maximum emission current density of similar to 1.802 mA cm(-2) drawn at an applied field of similar to 4.20 V mu m(-1). The enhanced field emission behavior observed from the CNC films is attributed to an excellent field enhancement factor of 1645. The observed field emission properties of CNC arrays are attributed to a synergistic combination of high aspect ratio, nano-sized radius of curvature, highly organized distribution of the emitters over the whole area of specimen and lower screening effect of the CNC arrays. These observations shed light on the effect of the stacking carbon layers of CNC on their electronic properties and open up possibilities to integrate new morphologies of graphitic carbon in nanotechnology applications. Thus, the low turn on field, high emission current density and better emission current stability enable CNC based future field emission applications.
}, issn = {2046-2069}, doi = {10.1039/c5ra25682h}, author = {Gupta, Bipin Kumar and Kedawat, Garima and Kumar, Pawan and Singh, Satbir and Suryawanshi, Sachin R. and Agrawal, Neetu and Gupta, Govind and Kim, Ah Ra and Gupta, R. K. and More, Mahendra A. and Late, Dattatray J. and Hahm, Myung Gwan} } @article {42990, title = {Fine tuning the composition and nanostructure of Fe-based core-shell nanocatalyst for efficient CO2 hydrogenation}, journal = {Chemnanomat}, volume = {2}, year = {2016}, month = {OCT}, pages = {989-996}, abstract = {
Hydrogenation of CO2 to hydrocarbons is one of the crucial technologies to address the energy deficit and increasing environmental pollution. In this work, we have synthesized and systematically studied the influence of composition and nanostructure of a Fe-based, carbon-coated core shell nanocatalyst. The synthesis method offered good control over the thickness of the carbon coating in the core shell catalyst, which in turn controlled the chemical composition of the core. The results emphasized an optimal amount of Fe3O4, Fe5C2 in the core and partially graphitized carbon in the shell for a high catalytic activity in the conversion of CO2 at atmospheric pressure with higher selectivity to C-2-C-4 olefins.
}, doi = {10.1002/cnma.201600234}, author = {Gupta, Sharad and Jain, Vivek K. and Jagadeesan, Dinesh} } @article { ISI:000374595500025, title = {Fingering instability in the flow of a power-law fluid on a rotating disc}, journal = {Physics of Fluids}, volume = {28}, number = {1}, year = {2016}, month = {JAN}, pages = {Article Number: 013102}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
A computational study of the flow of a non-Newtonian power law fluid on a spinning disc is considered here. The main goal of this work is to examine the effect of non-Newtonian nature of the fluid on the flow development and associated contact line instability. The governing mass and momentum balance equations are simplified using the lubrication theory. The resulting model equation is a fourth order non-linear PDE which describes the spatial and temporal evolutions of film thickness. The movement of the contact line is modeled using a constant angle slip model. To solve this moving boundary problem, a numerical method is developed using a Galerkin/finite element method based approach. The numerical results show that the spreading rate of the fluid strongly depends on power law exponent n. It increases with the increase in the shear thinning character of the fluid (n \< 1) and decreases with the increase in shear thickening nature of the fluid (n \> 1). It is also observed that the capillary ridge becomes sharper with the value of n. In order to examine the stability of these ridges, a linear stability theory is also developed for these power law fluids. The dispersion relationship depicting the growth rate for a given wave number has been reported and compared for different power-law fluids. It is found that the growth rate of the instability decreases as the fluid becomes more shear thinning in nature, whereas it increases for more shear thickening fluids. (C) 2016 AIP Publishing LLC.
}, issn = {1070-6631}, doi = {10.1063/1.4939665}, author = {Arora, Akash and Doshi, Pankaj} } @article { ISI:000379040200026, title = {Fingering instability of a suspension film spreading on a spinning disk}, journal = {Physics of Fluids}, volume = {28}, number = {6}, year = {2016}, month = {JUN}, pages = {063303}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {
The spreading of a thin film of suspension on a spinning disk and the accompanying contact line instability is studied through flow visualization experiments. The critical radius for the onset of instability shows an increase with increase in the particle fraction (phi(p)) before decreasing slightly at the highest value of phi(p) studied, while the instability wavelength (lambda) exhibits a non-monotonic dependence. The value of lambda is close to that for a partially wetting liquid at lower phi(p), it decreases with increasing phi(p) to a minimum before increasing again at largest phi(p). The non-monotonic trends observed for lambda are discussed in light of the linear stability analysis of thin film equations derived for suspensions by Cook et al. [{\textquoteright}{\textquoteright}Linear stability of particle-laden thin films,{\textquoteright}{\textquoteright} Eur. Phys. J.: Spec. Top. 166, 77 (2009)] and Balmforth et al. [{\textquoteright}{\textquoteright}Surface tension driven fingering of a viscoplastic film,{\textquoteright}{\textquoteright} J. Non Newtonian Fluid Mech. 142, 143 (2007)]. Published by AIP Publishing.
}, issn = {1070-6631}, doi = {10.1063/1.4953174}, author = {Kulkarni, Mayuresh and Sahoo, Subhadarshinee and Doshi, Pankaj and Orpe, Ashish V.} } @article { ISI:000367701900032, title = {First total synthesis of gliomasolide C and formal total synthesis of sch-725674}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {1}, year = {2016}, month = {JAN}, pages = {290-296}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Syntheses of two 14-membered macrolides Sch-725674 and Gliomasolide C are described here. The first total synthesis of Gliomasolide C, the short synthesis of Sch-725674, and regios elective Wacker oxidation of internal olefin are the highlights of this disclosure. In addition, a key macrocyde with orthogonal functionalities was designed and synthesized on a gram scale for the generation of analogues.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b02318}, author = {Seetharamsingh, B. and Khairnar, Pankaj V. and Reddy, D. Srinivasa} } @article {43008, title = {Flexible microsupercapacitors using silk and cotton substrates}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {NOV}, pages = {29504-29510}, abstract = {
Flexible microsupercapacitors (MSCs) are needed to power ultrasmall wearable electronic devices. Silk cocoons comprise microfibers of silk, which is an attractive natural resource to fabricate MSCs. These fibers are insulators; hence, they must be converted to conducting surfaces. Polyphenols from green tea have been used as a protective layer that also acted as a reducing agent for silver ions. The reduction of silver ions resulted in the formation of silver nanoparticles that subsequently reduced gold ions to gold. The gold film imparts conductivity to the silk fiber without affecting the mechanical strength of the silk fiber. The mechanical strength of uncoated silk fiber and gold coated silk fiber were found to be 5.2 and 5 GPa, respectively. A pseudocapacitive polymer, poly(3,4-ethylenedioxythiophene), was used as the active material to fabricate MSCs. The MSCs showed an impressive gravimetric capacitance of 500 F/g and areal capacitance of 62 mF/cm(2). The power and energy densities were calculated to be 2458 W/kg and 44 Wh/kg, respectively. The device was coiled on a cylinder, and the performance of the device was found to be same as that of the uncoiled device. To demonstrate that the approach is not specific to silk, we also coated gold on cotton fibers using the protocol used to coat gold on silk. Coiled and uncoiled supercapacitors were fabricated using PEDOT coated cotton fibers. The gravimetric capacitance was found to be 250 F/g with energy and power densities of 5.5 Wh/kg and 1118 W/kg, respectively. We have also demonstrated that the devices can be connected in parallel and series to improve the performance of the miniaturized devices.
}, doi = {10.1021/acsami.6b10431}, author = {Das, Chayanika and Krishnamoorthy, Kothandam} } @article {45647, title = {Fluorescent carbon nanodots for targeted in vitro cancer cell imaging}, journal = {Applied Materials Today}, volume = {4}, year = {2016}, month = {SEP}, pages = {71-77}, type = {Article}, abstract = {
Carbon quantum dots (CQDs or C-dots, \<= 10nm in size) are tiny carbon nanoparticles being envisaged in biosensing, bio-imaging and biomolecular/drug delivery. In the present investigation, green fluorescent carbon quantum/nano dots (GCQDs, similar to 3 nm in size) were synthesized through facile chemical slicing method. Further, folic acid (FA) functionalized GCQDs (GCQDs-FA) were obtained to enhance their targeting ability. FA is known to positively influence the binding potential and penetration into the cancer cells because of high abundance of folate receptors (FR) on various cancer cell membranes. We report high biocompatibility, photoluminescence stability and excellent in vitro cancer cell cytoplasm and nucleus targeting performance of GCQDs-FA on MCF-7 breast cancer cells. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Cancer cell bio-imaging, Carbon quantum/nano dots, Cell cytoplasm and nucleus targeting, Green fluorescence, Photoluminescence stability, Targeting ability}, issn = {2352-9407}, doi = {10.1016/j.apmt.2016.07.001}, author = {Aiyer, Sandhya and Prasad, Rajendra and Kumar, Manoj and Niryikar, K. and Jain, Bhanprakash and Kushwaha, Omkar S.} } @article { ISI:000375245100060, title = {Fluorescent polystyrene microbeads as invisible security ink and optical vapor sensor for 4-nitrotoluene}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {16}, year = {2016}, month = {APR}, pages = {10590-10599}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Color-tunable solid-state emitting polystyrene (PS) microbeads were developed by dispersion polymerization, which showed excellent fluorescent security ink characteristics along with sensitive detection of vapors of nitro aromatics like 4 nitro toluene (4-NT). The fluorophores pyrene and perylenebisimide were incorporated into the PS backbone as acrylate monomer and acrylate cross-linker, respectively. Solid state quantum yields of 94 and 20\% were observed for the pyrene and perylenebisimide, respectively, in the PS/Py and PS/PBI polymers. The morphology and solid state fluorescence was measured by SEM, fluorescence microscopy, and absorbance and fluorescence spectroscopy techniques. The ethanol dispersion of the polymer could be used directly as a fluorescent security {\textquoteleft}{\textquoteleft}invisible{\textquoteright}{\textquoteright} ink, which became visible only under ultraviolet light. The color of the ink could be tuned depending on the amounts of the pyrene and perylenebisimide incorporated with blue and orange-green for pyrene alone or perylenebisimide alone beads respectively and various shades in between including pure white for beads incorporating both the fluorophores. More than 80\% quenching of pyrene emission was observed upon exposure of the polymer in the form of powder or as spin-coated films to the vapors of 4-NT while the emission of perylenebisimide was unaffected. The limit of detection was estimated at 10(-5) moles (2.7 ppm) of 4-NT vapors. The ease of synthesis of the material along with its invisible ink characteristics and nitro aromatic vapor detection opens up new opportunities for exploring the application of these PS-based materials as optical sensors and fluorescent ink for security purposes.
}, keywords = {dispersion polymerization, invisible security ink, Perylenebisimide, pyrene, solid state detection}, issn = {1944-8244}, doi = {10.1021/acsami.5b12325}, author = {Sonawane, Swapnil L. and Asha, S. K.} } @article {43402, title = {Fluorescent probe for bisulfite ions: its application to two-photon tissue imaging}, journal = {Journal of Materials Chemistry B}, volume = {4}, year = {2016}, month = {DEC}, pages = {7888-7894}, abstract = {A benzoxazinone based fluorescent probe for the specific and efficient detection of bisulfite ions in aqueous medium is described. The probe formed a bisulfite/sulphite adduct with an associated turn-on fluorescence response in the red wavelength region. No interference was observed in the detection process from all possible competing anions and molecules, including cyanide ion, cysteine, homocysteine and glutathione. In addition, the probe showed a fast response time, low detection limit, and cell membrane permeability. Furthermore, the probe was two-photon excitable, enabling imaging of endogenous bisulfite ions in HeLa cells as well as in deep tissues from different organs of mouse.}, doi = {10.1039/c6tb02637k}, author = {Agarwalla, Hridesh and Pal, Suman and Paul, Anirban and Jun, Yong Woong and Bae, Juryang and Ahn, Kyo Han and Srivastava, Divesh N. and Das, Amitava} } @article { ISI:000381847500009, title = {Fluoride-assisted synthesis of 1,4,5,6-tetrahydropyridazines via [4+2] cyclodimerization of in situ-generated azoalkenes followed by a C-N bond cleavage}, journal = {Organic Letters}, volume = {18}, number = {16}, year = {2016}, month = {AUG}, pages = {3968-3971}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An unexpected CsF-assisted C-N bond cleavage was exploited to synthesize highly functionalized and biologically important 1,4,5,6-tetralrydropyridazine derivatives from alpha-halo N-acylhydrazohes in excellent yields. The extrusion of nitrogen and the [4 + 2] cycloaddition between in situ-generated azoalkenes is a key reaction in the process. The identified methodology is suitable for synthesizing a wide variety of analogues of tetrahydropyridazines, which are prevalent in many medicinally important small molecules. The reaction conditions are mild, high-yielding, and amenable for the gram scale.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01551}, author = {Shelke, Anil M. and Suryavanshi, Gurunath} } @article {43166, title = {Fluoride-mediated dephosphonylation of α-diazo-β-carbonyl phosphonates}, journal = {Organic Letters}, volume = {19}, year = {2016}, month = {DEC}, pages = {372 - 375}, abstract = {The possibility of fluoride-mediated selective dephosphonylation of α-diazo-β-carbonyl phosphonates such as the Ohira-Bestmann reagent has been proposed and executed. The resulting α-diazocarbonyl intermediates undergo a (3 + 2)-cycloaddition at room temperature with conjugated olefins and benzynes. Interestingly, under the current conditions, the resulting cycloaddition products underwent either N-acylation (with excess α-diazo-β-carbonyl phosphonates) or Michael addition (with conjugated olefins).}, author = {Phatake, Ravindra S. and Mullapudi, Venkanna Babu and Wakchaure, Vivek Chandrakant and Ramana, Chepuri V.} } @article { ISI:000379437100016, title = {Formal enantioselective synthesis of (-)-epiquinamide by proline-catalyzed one-pot sequential -amination/propargylation of aldehyde and asymmetric dihydroxylation of olefin}, journal = {Synlett}, volume = {27}, number = {11}, year = {2016}, month = {JUL}, pages = {1699-1702}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {
Two independent routes to the formal synthesis of (-)-epiquinamide, have been described: the first route utilizes an l-proline-catalyzed one-pot sequential -amination/propargylation of aldehyde, while the second one employs asymmetric dihydroxylation as the key reaction to install the stereochemistry. While the first synthesis was accomplished in nine steps with 24.4\% overall yield and dr 9:1, the second strategy resulted in the synthesis in eight steps with 36.4\% overall yield and with perfect enantiocontrol.
}, keywords = {Amination, diastereoselective, Dihydroxylation, Proline, quinolizidine}, issn = {0936-5214}, doi = {10.1055/s-0035-1561956}, author = {Ahuja, Brij Bhushan and Emmanuvel, Lourdusamy and Sudalai, Arumugam} } @article { ISI:000370108700010, title = {Formal synthesis of pinolide via L-proline-catalyzed sequential alpha-aminooxylation, horner-wadsworth-emmons olefination and sharpless asymmetric dihydroxylation}, journal = {Tetrahedron-Asymmetry }, volume = {27}, number = {2-3}, year = {2016}, month = {FEB}, pages = {142-147}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A convergent, formal enantioselective synthesis of pinolide, a new nonenolide, has been achieved with high enantiomeric purity (99\% ee) starting from readily available raw materials. The main highlight of the synthetic strategy is the application of L-proline catalyzed sequential alpha-aminooxylation and Horner-Wadsworth-Emmons olefination of an aldehyde, Sharpless asymmetric dihydroxylation and Steglich esterification as the key steps for the construction of a key chiral intermediate of the target molecule. (C) 2016 Elsevier Ltd. All rights reserved.
}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2016.01.005}, author = {Shelke, Anil M. and Suryavanshi, Gurunath} } @article { ISI:000368207600006, title = {Formal total synthesis of anti-helicobacter pylori agent (+)-spirolaxine methyl ether}, journal = {Tetrahedron Letters}, volume = {57}, number = {1}, year = {2016}, month = {JAN}, pages = {25-28}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A convergent, formal enantioselective synthesis of anti-Helicobacter pylori agent, (+)-spirolaxine methyl ether 2 has been achieved in high enantiomeric purity starting from commercially available 1,5-pentanediol. The strategy mainly comprises of the Noyori{\textquoteright}s asymmetric reduction and Brown allylation/Cu-catalyzed lactonization as the key step for the construction of key chiral intermediates, spiroketal 3 and phthalide fragment 4. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Brown allylation, Cu-catalyzed lactonization, Noyori{\textquoteright}s asymmetric reduction, Phthalide, Spiroketal}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.11.047}, author = {Gadakh, Sunita K. and Sudalai, Arumugam} } @article {43438, title = {Free energy of bare and capped gold nanoparticles permeating through a lipid bilayer}, journal = {Chemphyschem}, volume = {17}, year = {2016}, month = {NOV}, pages = {3504-3514}, abstract = {Herein, we study the permeation free energy of bare and octane-thiol-capped gold nanoparticles (AuNPs) translocating through a lipid membrane. To investigate this, we have pulled the bare and capped AuNPs from bulk water to the membrane interior and estimated the free energy cost. The adsorption of the bare AuNP on the bilayer surface is energetically favorable but further loading inside it requires energy. However, the estimated free-energy barrier for loading the capped AuNP into the lipid membrane is much higher compared to bare AuNP. We also demonstrate the details of the permeation process of bare and capped AuNPs. Bare AuNP induces the curvature in the lipid membrane whereas capped AuNP creates an opening in the interacting monolayer and get inserted into the membrane. The insertion of capped AuNP induces a partial unzipping of the lipid bilayer, which results in the ordering of the local lipids interacting with the nanoparticle. However, bare AuNP disrupts the lipid membrane by pushing the lipid molecules inside the membrane. We also analyze pore formation due to the insertion of capped AuNP into the membrane, which results in water molecules penetrating the hydrophobic region.}, doi = {10.1002/cphc.201600690}, author = {Mhashal, Anil R. and Roy, Sudip} } @article { ISI:000369572000029, title = {From insertion to multicomponent coupling: temperature dependent reactions of arynes with aliphatic alcohols}, journal = {Chemical Communications}, volume = {52}, number = {8}, year = {2016}, month = {NOV}, pages = {1665-1668}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The temperature dependent selectivity switch in the reaction of arynes with aliphatic alcohols in THF has been reported. At -20 degrees C, arynes smoothly insert into the O-H bond of alcohols to form alkyl aryl ethers. Interestingly, at 60 degrees C, a highly selective multicomponent coupling occurs with the solvent THF acting as the nucleophilic trigger affording (4-(alkoxy)butoxy)arenes.
}, issn = {1359-7345}, doi = {10.1039/c5cc08307a}, author = {Thangaraj, Manikandan and Bhojgude, Sachin Suresh and Mane, Manoj V. and Biju, Akkattu T.} } @article {45655, title = {Functional additives derived from structurally well-defined poly(olefin)s: Structure - function relationships}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {252}, year = {2016}, month = {AUG }, type = {Meeting Abstract}, issn = {0065-7727}, author = {Sivaram, Swaminathan} } @article { ISI:000369200500019, title = {Functional and conformational transitions of mevalonate diphosphate decarboxylase from Bacopa monniera}, journal = {International Journal of Biological Macromolecules}, volume = {83}, year = {2016}, month = {FEB}, pages = {160-170}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Functional and conformational transitions of mevalonate diphosphate decarboxylase (MDD), a key enzyme of mevalonate pathway in isoprenoid biosynthesis, from Bacopa monniera (BmMDD), cloned and overexpressed in Escherichia coli were studied under thermal, chemical and pH-mediated denaturation conditions using fluorescence and Circular dichroism spectroscopy. Native BmMDD is a helix dominant structure with 45\% helix and 11\% sheets and possesses seven tryptophan residues with two residues exposed on surface, three residues partially exposed and two situated in the interior of the protein. Thermal denaturation of BmMDD causes rapid structural transitions at and above 40 degrees C and transient exposure of hydrophobic residues at 50 degrees C, leading to aggregation of the protein. An acid induced molten globule like structure was observed at pH 4, exhibiting altered but compact secondary structure, distorted tertiary structure and exposed hydrophobic residues. The molten globule displayed different response at higher temperature and similar response to chemical denaturation as compared to the native protein. The surface tryptophans have predominantly positively charged amino acids around them, as indicated by higher K-SV for IC as compared to that for CsCl. The native enzyme displayed two different lifetimes, vi (1.203 +/- 0.036 ns) and tau 2 (3.473 +/- 0.12 ns) indicating two populations of tryptophan. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Aggregation, CD spectroscopy, Fluorescence quenching, Mevalonate diphosphate decarboxylase, Unfolding}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2015.11.067}, author = {Shakeel, Abbassi and Patel, Krunal and Khan, Bashir Mohammad and Bhosale, Siddharth H. and Gaikwad, Sushama M.} } @article { ISI:000374800700041, title = {Functional characterization and transient expression manipulation of a new sesquiterpene synthase involved in beta-caryophyllene accumulation in Ocimum}, journal = {Biochemical And Biophysical Research Communications}, volume = {473}, number = {1}, year = {2016}, month = {APR}, pages = {265-271}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
The genus Ocimum has a unique blend of diverse secondary metabolites, with major proportion of terpenoids including mono- and sesquiterpenes. Although, beta-Caryophyllene, bicyclic sesquiterpene, is one of the major terpene found in Ocimum species and known to possess several biological activities, not much is known about its biosynthesis in Ocimum. Here, we describe isolation and characterization of beta-caryophyllene synthase gene from Ocimum kilimandscharicum Gurke (OkBCS- GenBank accession no. KP226502). The open reading frame of 1629 bp encoded a protein of 542 amino acids with molecular mass of 63.6 kDa and pl value of 5.66. The deduced amino acid sequence revealed 50-70\% similarity with known sesquiterpene synthases from angiosperms. Recombinant OkBCS converted farnesyl diphosphate to beta-caryophyllene as a major product (94\%) and 6\% alpha-humulene. Expression variation of OkBCS well corroborated with beta-caryophyllene levels in different tissues from five Ocimum species. OkBCS transcript revealed higher expression in leaves and flowers. Further, agro-infiltration based transient expression manipulation with OkBCS over-expression and silencing confirmed its role in beta-caryophyllene biosynthesis. These findings may potentially be further utilized to improve plant defense against insect pests. (C) 2016 Elsevier Inc. All rights reserved.
}, keywords = {beta-Caryophyllene, Natural product biosynthesis, Ocimum, Terpene synthase, Transient expression}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2016.03.090}, author = {Jayaramaiah, Ramesha H. and Anand, Atul and Beedkar, Supriya D. and Dholakia, Shushan B. and Punekar, Sachin A. and Kalunke, Raviraj M. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article { ISI:000380864900003, title = {Functionalization and isoreticulation in a series of metal-organic frameworks derived from pyridinecarboxylates}, journal = {Inorganic Chemistry}, volume = {55}, number = {15}, year = {2016}, month = {AUG}, pages = {7200-7205}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The partially fluorinated metal-organic frameworks (F-MOFs) have been constructed from 3-fltoro-4-pyridinecarboxylic acid and trans-3-fluoro-4-pyridineacrylic acid linkers using Mn2+, Co2+, and, Cd2+ metals via the solvothetrnal method, which show isostructural isomerism with their nonfluorinated counterparts synthesized using 4-pyridinecarboxylic acid and trans-4-pyridineacrylic acid, respectively. The simultaneous effect of partial fluorination and isoreticulation on structure and H-2 adsorption has been studied systematically in isostructural nonfluorinated and partially fluorinated MOFs, which shows that the increment in the hydrogen uptake properties in F-MOFs is not a universal phenomenon but is rather system-specific and changes from one system to another.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.6b00758}, author = {Pachfule, Pradip and Garai, Bikash and Banerjee, Rahul} } @article {43409, title = {Fungal cell membrane-promising drug target for antifungal therapy}, journal = {Journal of Applied Microbiology}, volume = {121}, year = {2016}, month = {DEC}, pages = {1498-1510}, abstract = {Increase in invasive fungal infections over the past few years especially in immunocompromised patients prompted the search for new antifungal agents with improved efficacy. Current antifungal armoury includes very few effective drugs like Amphotericin B; new generation azoles, including voriconazole and posaconazole; echinocandins like caspofungin and micafungin to name a few. Azole class of antifungals which target the fungal cell membrane are the first choice of treatment for many years because of their effectiveness. As the fungal cell membrane is predominantly made up of sterols, glycerophospholipids and sphingolipids, the role of lipids in pathogenesis and target identification for improved therapeutics were largely pursued by researchers during the last few years. Present review focuses on cell membrane as an antifungal target with emphasis on membrane biogenesis, structure and function of cell membrane, cell membrane inhibitors, screening assays, recent advances and future prospects.}, doi = {10.1111/jam.13301}, author = {Sant, D. G. and Tupe, Santosh Genba and Ramana, Chepuri V. and Deshpande, Mukund V.} } @article {42998, title = {Fungal mediated kinetic resolution of racemic acetates to (R)-alcohols using fusarium proliferatum}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {OCT}, pages = {4563-4567}, abstract = {
Fungal mediated kinetic resolution of seven acyclic/aromatic acetates was achieved using Fusarium proliferatum to furnish (R)-alcohols in high enantiomeric excess (\>95\%). The kinetic resolution was established as one-pot two-step de-esterification/oxidation biocatalytic process. Further, the preparative scale synthesis of (R)-(+)-1-phenylethanol was accomplished through de-esterification/oxidation of (+/-)-1-phenylethyl acetate using the whole cell of F. proliferatum NCIM 1105. (C) 2016 Elsevier Ltd. All rights reserved.
}, doi = {10.1016/j.tetlet.2016.08.084}, author = {Jadhav, Dipesh D. and Patil, Harshal S. and Chaya, Patil S. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000378741200010, title = {Fusarium oxysporum mediates systems metabolic reprogramming of chickpea roots as revealed by a combination of proteomics and metabolomics}, journal = {Plant Biotechnology Journal}, volume = {14}, number = {7}, year = {2016}, month = {JUL}, pages = {1589-1603}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Molecular changes elicited by plants in response to fungal attack and how this affects plant-pathogen interaction, including susceptibility or resistance, remain elusive. We studied the dynamics in root metabolism during compatible and incompatible interactions between chickpea and Fusarium oxysporum f. sp. ciceri (Foc), using quantitative label-free proteomics and NMR-based metabolomics. Results demonstrated differential expression of proteins and metabolites upon Foc inoculations in the resistant plants compared with the susceptible ones. Additionally, expression analysis of candidate genes supported the proteomic and metabolic variations in the chickpea roots upon Foc inoculation. In particular, we found that the resistant plants revealed significant increase in the carbon and nitrogen metabolism; generation of reactive oxygen species (ROS), lignification and phytoalexins. The levels of some of the pathogenesis-related proteins were significantly higher upon Foc inoculation in the resistant plant. Interestingly, results also exhibited the crucial role of altered Yang cycle, which contributed in different methylation reactions and unfolded protein response in the chickpea roots against Foc. Overall, the observed modulations in the metabolic flux as outcome of several orchestrated molecular events are determinant of plant{\textquoteright}s role in chickpea-Foc interactions.
}, keywords = {Chickpea, fusarium oxysporum, Metabolomics, NMR, plant-pathogen interaction, proteomics}, issn = {1467-7644}, doi = {10.1111/pbi.12522}, author = {Kumar, Yashwant and Zhang, Limin and Panigrahi, Priyabrata and Dholakia, Bhushan B. and Dewangan, Veena and Chavan, Sachin G. and Kunjir, Shrikant M. and Wu, Xiangyu and Li, Ning and Rajmohanan, Pattuparambil R. and Kadoo, Narendra Y. and Giri, Ashok P. and Tang, Huiru and Gupta, Vidya S.} } @article {43605, title = {Gadolinium(III)-based porous luminescent metal-organic frameworks for bimodal imaging}, journal = {Chempluschem}, volume = {81}, year = {2016}, month = {AUG}, pages = {728-732}, abstract = {Gd-III-based metal-organic frameworks, Gd-pDBI-1 and Gd-pDBI-2, have been synthesized using the linker pDBI (pDBI=1,4-bis(5-carboxy-1H-benzimidazole-2yl)benzene). They exhibited structural diversity due to subtle change in reaction constituents. Owing to the judicious choice of the fluorescent linker, the materials could be used for bimodal imaging (fluorescent and magnetic resonance) and displayed a modest T1 relaxivity value.}, doi = {10.1002/cplu.201600233}, author = {Kundu, Tanay and Mitra, Shouvik and Diaz Diaz, David and Banerjee, Rahul} } @article { ISI:000371021000006, title = {GAME9 regulates the biosynthesis of steroidal alkaloids and upstream isoprenoids in the plant mevalonate pathway}, journal = {Nature Communications}, volume = {7}, year = {2016}, month = {FEB}, pages = {Article Number: 10654}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
Steroidal glycoalkaloids (SGAs) are cholesterol-derived molecules produced by solanaceous species. They contribute to pathogen defence but are toxic to humans and considered as anti-nutritional compounds. Here we show that GLYCOALKALOID METABOLISM 9 (GAME9), an APETALA2/Ethylene Response Factor, related to regulators of alkaloid production in tobacco and Catharanthus roseus, controls SGA biosynthesis. GAME9 knockdown and overexpression in tomato and potato alters expression of SGAs and upstream mevalonate pathway genes including the cholesterol biosynthesis gene STEROL SIDE CHAIN REDUCTASE 2 (SSR2). Levels of SGAs, C24-alkylsterols and the upstream mevalonate and cholesterol pathways intermediates are modified in these plants. Delta(7)-STEROL-C5(6)-DESATURASE (C5-SD) in the hitherto unresolved cholesterol pathway is a direct target of GAME9. Transactivation and promoter-binding assays show that GAME9 exerts its activity either directly or cooperatively with the SlMYC2 transcription factor as in the case of the C5-SD gene promoter. Our findings provide insight into the regulation of SGA biosynthesis and means for manipulating these metabolites in crops.
}, issn = {2041-1723}, doi = {10.1038/ncomms10654}, author = {Cardenas, Pablo D. and Sonawane, Prashant D. and Pollier, Jacob and Vanden Bossche, Robin and Dewangan, Veena and Weithorn, Efrat and Tal, Lior and Meir, Sagit and Rogachev, Ilana and Malitsky, Sergey and Giri, Ashok P. and Goossens, Alain and Burdman, Saul and Aharoni, Asaph} } @article {42992, title = {Ganglioside GM1 interacts with the serotonin1A receptor via the sphingolipid binding domain}, journal = {Biochimica et Biophysica Acta}, volume = {1858}, year = {2016}, month = {NOV}, pages = {2818-2826}, abstract = {
Glycosphingolipids are minor yet essential components of eukaryotic cell membranes and are involved in a variety of cellular processes. Although glycosphingolipids such as GM1 have been previously reported to influence the function of G protein-coupled receptors (GPCRs), the molecular mechanism remains elusive. In this paper, we have explored the interaction of GM1 with the serotonin1A receptor, an important neurotransmitter receptor that belongs to the GPCR family. To examine the molecular basis of the interaction of GM1 with the serotonin1A receptor, we performed a series of coarse-grain molecular dynamics simulations of the receptor embedded in membrane bilayers containing GM1. Our results show that GM1 interacts with the serotonin1A receptor predominantly at the extracellular loop 1 and specifically at the sphingolipid binding domain (SBD). The SBD motif consists of a characteristic combination of aromatic, basic and turn-inducing residues, and is evolutionarily conserved in case of the serotonin1A receptor. The interaction of the SBD site with GM1 appears to stabilize a {\textquoteright}flip-out{\textquoteright} conformation in which W102 of the extracellular loop 1 flips out from the central lumen of the receptor toward the membrane. The population of the {\textquoteright}flip-out{\textquoteright} conformation is increased in the presence of cholesterol. Our data strongly suggest that a direct interaction between GM1 and the SBD site of the serotonin1A receptor may occur in vivo. In view of the reported role of GM1 and the serotonin1A receptor in neurodegenerative diseases, GM1-receptor interaction assumes significance in the context of malfunctioning of neuronal GPCRs under such conditions.
}, doi = {10.1016/j.bbamem.2016.08.009}, author = {Prasanna, X. and Jafurulla, M. and Sengupta, Durba and Chattopadhyay, Amitabha} } @article { ISI:000372172800019, title = {Gas-solid interaction of H-2-Ce0.95Zr0.05O2: new insights into surface participation in heterogeneous catalysis}, journal = {Catalysis Science \& Technology}, volume = {6}, number = {6}, year = {2016}, month = {OCT}, pages = {1746-1756}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A direct interaction between a reduction medium (H-2) and a Ce0.95Zr0.05O2 (CZ) solid surface was explored through ambient pressure photoelectron spectroscopy (APPES), with conventional X-ray and He-I photon sources, in H-2 atmosphere up to 0.1 mbar pressure and 773 K. A porous CZ thin film was prepared by a combination of sol-gel and spin-coating methods, and was employed to understand the redox nature of ceria under reduction conditions. The maximum of 45\% Ce3+ along with the corresponding oxygen vacancy was observed due to reduction. An unprecedented decrease in the valence band (VB) energy up to 1.4 eV was observed on reduction along with a narrowing of VB. The highest occupied energy band derived from Ce 4f also shifts closer to E-F. H-2 molecular vibration observed in VB-APPES was employed as a probe to explore the surface potential changes along with the dynamic change in the nature of the surface under reduction conditions. The surface potential decreases by 0.27 eV up to 673 K, and then it reverts by 0.24 eV on further reduction at 773 K for different reasons. Further, an enhancement in the Ce 5d-O 2p interaction occurs at the expense of the Ce 4f-O 2p interaction under the above reduction conditions. Vacuum annealing and H-2 reduction after that show significantly more VB shift and enhanced reduction than H-2 reduction alone. Although Ce reduction occurs on high temperature vacuum annealing of CZ, a significantly lower amount of oxygen vacancies appears. This study shows the dynamic changes in the nature of the surface due to a gas (H-2)-solid (CZ) interaction and ensuing electronic structure changes that influence heterogeneous catalysis. It also underscores the necessity to study the catalytic materials under in situ conditions or closer to that.
}, issn = {2044-4753}, doi = {10.1039/c5cy01428j}, author = {Jain, Ruchi and Dubey, Anjani and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S.} } @article { ISI:000373029500086, title = {Glucose sensing and low-threshold field emission from MnCo2O4 nanosheets}, journal = {RSC Advances}, volume = {6}, number = {35}, year = {2016}, month = {MAR}, pages = {29734-29740}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Manganese cobalt oxide (MnCo2O4) nanosheets were grown on nickel (Ni) foam by a simple electrodeposition method. The as-synthesized nanosheets were characterized using X-ray diffraction and scanning electron microscopy. The Ni foam supports the growth of MnCo2O4 nanosheets without any aggregation, thereby increasing its catalytic and electronic properties. The electrochemical studies show that MnCo2O4 exhibits excellent electrocatalytic activity towards glucose sensing applications. The MnCo2O4 based glucose sensor shows a good sensitivity value of 8.2 mA mM(-1) cm(-2), with a response time of 19 s. In addition to this, field emission studies of as-synthesized MnCo2O4 reveal a low turn-on field value of 1.9 V mm(-1) and good emission current stability, demonstrating MnCo2O4 nanosheets as a good field emitter material.
}, issn = {2046-2069}, doi = {10.1039/c6ra01169a}, author = {Naik, Kusha Kumar and Khare, Ruchita T. and More, Mahendra A. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article { ISI:000371105800005, title = {Glucose-derived porous carbon-coated silicon nanowires as efficient electrodes for aqueous micro-supercapacitors}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {7}, year = {2016}, month = {FEB}, pages = {4298-4302}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this study, we report on carbon coating of vertically aligned silicon nanowire (SiNWs) arrays via a simple hydrothermal process using glucose as carbon precursor. Using this process, a thin carbon layer is uniformly deposited on the SiNWs. Under optimized conditions, the coated SiNWs electrode showed better electrochemical energy storage capacity as well as exceptional stability in aqueous system as compared to uncoated SiNWs. The as-measured capacitance reached 25.64 mF/cm(2) with a good stability up to 25000 charging/discharging cycles in 1 M Na2SO4 aqueous solution.
}, keywords = {carbon coating, glucose precursor, hydrothermal, microsupercapacitors, silicon nanowires}, issn = {1944-8244}, doi = {10.1021/acsami.5b11240}, author = {Devarapalli, Rami Reddy and Szunerits, Sabine and Coffinier, Yannick and Shelke, Manjusha V. and Boukherroub, Rabah} } @article {42688, title = {Glycation induces conformational changes in Amyloid-? peptide and enhances its aggregation propensity: molecular insights}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, year = {2016}, month = {OCT}, pages = {31446-31458}, doi = {10.1039/C6CP05041G}, author = {Jana, Asis K. and Batkulwar, Kedar B. and Kulkarni, Mahesh J. and Sengupta, Neelanjana} } @article {45639, title = {Glycopolypeptide-grafted bioactive polyionic complex vesicles (PICsomes) and their specific polyvalent interactions}, journal = {ACS Omega}, volume = {1}, year = {2016}, month = {OCT}, pages = {600-612}, type = {Article}, abstract = {
Glycopolypeptide-based self-assembled nano-/microstructures with surface-tethered carbohydrates are excellent mimics of glycoproteins on the cell surface. To expand the broad repertoire of glycopolypeptide-based supramolecular soft structures such as polymersomes formed via self-assembly of amphiphilic polymers, we have developed a new class of polyionic complex vesicles (PICsomes) with glycopolypeptides grafted on the external surface. Oppositely charged hydrophilic block copolymers of glycopolypeptide(20)-b-poly-L-lysine(100) and PEG(2k)-b-poly-L-glutamate(100) [PEG = poly(ethylene glycol)] were synthesized using a combination of ring-opening polymerization of N-carboxyanhydrides and {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry. Under physiological conditions, the catiomer and aniomer self-assemble to form glycopolypeptide-conjugated PICsomes (GP-PICsomes) of micrometer dimensions. Electron and atomic force microscopy suggests a hollow morphology of the PICsomes, with inner aqueous pool (core) and peripheral PIC (shell) regions. Owing to their relatively large (similar to micrometers) size, the hollowness of the supramolecular structure could be established via fluorescence microscopy of single GP-PICsomes, both in solution and under dry conditions, using spatially distributed fluorescent probes. Furthermore, the dynamics of single PICsomes in solution could be imaged in real time, which also allowed us to test for multivalent interactions between PICsomes mediated by a carbohydrate (mannose)-binding protein (lectin, Con-A). The immediate association of several GP-PICsomes in the presence of Con-A and their eventual aggregation to form large insoluble aggregate clusters reveal that upon self-assembly carbohydrate moieties protrude on the outer surface which retains their biochemical activity. Challenge experiments with excess mannose reveal fast deaggregation of GP-PICsomes as opposed to that in the presence of excess galactose, which further establishes the specificity of lectin-mediated polyvalent interactions of the GP-PICsomes.
}, issn = {2470-1343}, doi = {10.1021/acsomega.6b00142}, author = {Pandey, Bhawana and Mahato, Jaladhar and Cotta, Karishma Berta and Das, Soumen and Sharma, Dharmendar Kumar and Sen Gupta, Sayam and Chowdhury, Arindam} } @article { ISI:000380241600129, title = {Gold incorporated mesoporous silica thin film model surface as a robust SERS and catalytically active substrate}, journal = {Molecules}, volume = {21}, number = {5}, year = {2016}, month = {MAY}, pages = {667}, publisher = {MDPI AG}, address = {ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND}, abstract = {
Ultra-small gold nanoparticles incorporated in mesoporous silica thin films with accessible pore channels perpendicular to the substrate are prepared by a modified sol-gel method. The simple and easy spin coating technique is applied here to make homogeneous thin films. The surface characterization using FESEM shows crack-free films with a perpendicular pore arrangement. The applicability of these thin films as catalysts as well as a robust SERS active substrate for model catalysis study is tested. Compared to bare silica film our gold incorporated silica, GSM-23F gave an enhancement factor of 10(3) for RhB with a laser source 633 nm. The reduction reaction of p-nitrophenol with sodium borohydride from our thin films shows a decrease in peak intensity corresponding to -NO2 group as time proceeds, confirming the catalytic activity. Such model surfaces can potentially bridge the material gap between a real catalytic system and surface science studies.
}, keywords = {gold nanoparticles, model catalysis, SERS, Thin films}, issn = {1420-3049}, doi = {10.3390/molecules21050667}, author = {Sekhar, Anandakumari Chandrasekharan Sunil and Vinod, Chathakudath Prabhakaran} } @article { ISI:000371754000043, title = {Gold vs rhodium catalysis: tuning reactivity through catalyst control in the C-H alkynylation of isoquinolones}, journal = {Organic Letters}, volume = {18}, number = {5}, year = {2016}, month = {MAR}, pages = {1056-1059}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A site-selective C-4/C-8 alkynylation of isoquinolones catalyzed by gold and rhodium complexes is reported. A broad range of synthetically useful functional groups (-F, -Cl, -Br, -CF3, -OMe, alkyl, etc.) were tolerated, providing an efficient and robust protocol for the synthesis either C-4- or C-8-alkynylated isoquinolones.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b00175}, author = {Shaikh, Aslam C. and Shinde, Dinesh R. and Patil, Nitin T.} } @article { ISI:000373636800006, title = {Gold(I) catalyzed [1,3] O -> C rearrangement of benzylvinyl ethers}, journal = {Organic Chemistry Frontiers}, volume = {3}, number = {4}, year = {2016}, month = {JAN}, pages = {453-456}, publisher = {CHINESE CHEMICAL SOC}, address = {PO BOX 1-18, NANKANG, TAIPEI 115, TAIWAN}, abstract = {
A simple procedure for the preparation of 3-(hetero) arylpropionaldehydes has been developed employing a gold-catalyzed [1,3]-rearrangement of vinyl ethers. Using this protocol, Canthoxal, an aromatic aldehyde used in perfumery, has been prepared on a gram scale.
}, issn = {2052-4129}, doi = {10.1039/c5qo00397k}, author = {Kona, Chandrababu Naidu and Patil, Mahesh N. and Ramana, Chepuri V.} } @article { ISI:000374436800034, title = {Gold(I)-catalyzed hydroaminaloxylation and petasis-ferrier rearrangement cascade of aminaloalkynes}, journal = {Organic Letters}, volume = {18}, number = {8}, year = {2016}, month = {APR}, pages = {1844-1847}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An efficient method has been developed to generate a diverse array of indolizidines and quinolizidines from readily available aminaloalkynes via a gold(I)-catalyzed hydroaminaloxylation and Petasis-Ferrier rearrangement cascade. The method enabled a formal synthesis of (+/-)-antofine.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b00585}, author = {Gade, Amol B. and Patil, Nitin T.} } @article {43615, title = {Graphene based nanocomposites for alloy (SnO2), and conversion (Fe3O4) type efficient anodes for Li-ion battery applications}, journal = {Composites Science and Technology}, volume = {130}, year = {2016}, month = {JUN}, pages = {88-95}, abstract = {Two types of trigol reduced one pot synthesized graphene (TRG) based nanocomposites (SnO2-TRG, and Fe3O4-TRG) are examined as potential anodes for Lithium ion battery (LIB) applications. The two specific systems represent different electrode reaction mechanisms, namely alloying, and conversion respectively. The high resolution transmission electron microscopy (HR-TEM) analysis confirms the uniform distribution of SnO2 (similar to 2 nm), and Fe3O4 (similar to 8 nm) particulates on ultrathin TRG nanosheets and highlights the importance of surfactant free synthesis. The SnO2-TRG, and Fe3O4-TRG exhibited the maximum reversible capacity of similar to 947, and similar to 1024 mA h g(-1), respectively. The results show that such graphene based composite materials can be effectively used as prospective anodes for LIB applications. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.compscitech.2016.05.008}, author = {Mhamane, Dattakumar and Aravindan, Vanchiappan and Taneja, Divya and Suryawanshi, Anil and Game, Onkar and Srinivasan, Madhavi and Ogale, Satishchandra B.} } @article {45636, title = {Graphene oxide sheathed ZIF-8 microcrystals: engineered precursors of nitrogen-doped porous carbon for efficient oxygen reduction reaction (ORR) electrocatalysis}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {NOV}, pages = {29373-29382}, type = {Article}, abstract = {
Nitrogen containing mesoporous carbon obtained by the pyrolysis of graphene oxide (GO) wrapped ZIF-8 (Zeolitic Imidazolate Frameworks-8) micro crystals is demonstrated to be an efficient catalyst for the oxygen reduction reaction (ORR). ZIF-8 synthesis in the presence of GO sheets helped to realize layers of graphene oxide over ZIF-8 microcrystals and the sphere-like structures thus obtained, on heat treatment, transformed to highly porous carbon with a nitrogen content of about 6.12\% and surface area of 502 m(2)/g. These catalysts with a typical micromeso porous architecture exhibited an onset potential of 0.88Vvs RHE in a four electron pathway and also demonstrated superior durability in alkaline medium compared to that of the commercial Pt/C catalyst. The N-doped porous carbon derived from GO sheathed ZIF-8 core shell structures could therefore be employed as an efficient electrocatalyst for fuel cell applications.
}, keywords = {alkaline fuel cell, graphene oxide, N-doped carbon, oxygen reduction reaction, porous carbon, ZIF-8}, issn = {1944-8244}, doi = {10.1021/acsami.6b06979}, author = {Thomas, Minju and Illathvalappi, Rajith and Kurungot, Sreekumar and Nair, Balagopal N. and Mohamed, Abdul Azeez Peer and Anilkumar, Gopinathan M. and Yamaguchi, Takeo and Hareesh, U. S.} } @article {43011, title = {Graphene quantum dot-based on-chip electrochemical DNA hybridization sensor for pancreatic cancer}, journal = {Reports in Electrochemistry}, volume = {6}, year = {2016}, month = {NOV}, pages = {31-40}, doi = {10.2147/RIE.S83253}, author = {Joshi, Preeti Nigam and Waghmode, S} } @inbook {43013, title = {Graphene quantum dots - from emergence to nanotheranostic applications}, booktitle = {Smart Drug Delivery System}, year = {2016}, publisher = {Intech}, organization = {Intech}, chapter = {7}, address = {Croatia}, doi = {10.5772/61932}, author = {Joshi, Preeti Nigam and Kundu, Subir and Sanghi, Sunil K. and Sarkar, Dhiman} } @article { ISI:000375520100006, title = {Green approach to dye wastewater treatment using biocoagulants}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {4}, number = {5}, year = {2016}, month = {MAY}, pages = {2495-2507}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The present study focuses on newer biocoagulants, bioformulations, and the understanding of coagulant behavior with biocoagulants in relation to chemical coagulants. Newer biocoagulants, seeds of Azadirachta indica (AI) and pads of Acanthocereus tetragonus, are discussed along with two known biocoagulants, Moringa oleifera and Cicer arietinum seeds. Dye removal studies were carried out using widely reported Congo red dye to facilitate easy comparison with other conventional coagulants and the effect of various parameters such as initial dye concentration, pH, coagulant dose, etc. are discussed in detail. The use of biocoagulant was found to be highly effective, and up to 99\% dye removal was achieved for coagulant doses in the range of 300-1500 mg/L. It was also observed that coagulation is pH sensitive, similar to chemical coagulants. Although the biocoagulant dose is relatively higher than the conventional chemical coagulants, a good value for the sludge volume index, similar to 50 mL/g for 1 h and 30 min, respectively, was obtained for the two coagulants, Acanthocereus tetragonus and Moringa oleifera. A very high particle count compared to chemical coagulants was observed using a focused beam reflectance measurement. Bioformulation with chemical coagulants such as alum, ferric, and aluminum based coagulants can, not only lower doses of biocoagulants (up to one-third) but can also result in significant improvement in the coagulation performance, up to 50\% or more.
}, keywords = {coagulation, dye removal, Effluent treatment, flocculation, pollution}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.5b01553}, author = {Chethana, M. and Sorokhaibam, Laxmi Gayatri and Bhandari, Vinay M. and Raja, S. and Ranade, Vivek V.} } @article {43004, title = {Green chemistry in nanotechnology: opportunities and future challenges}, journal = {Research and Reviews: Journal of Chemistry}, volume = {5}, year = {2016}, month = {JAN}, pages = {3-4}, author = {Joshi, Preeti Nigam} } @article {42855, title = {Green leaf to inorganic leaf: a case study of ZnO}, journal = {Journal of Nanoscienceand Nanotechnology}, volume = {16}, year = {2016}, month = {SEP}, pages = {9203-9208}, abstract = {
Can we use green leaves, available freely in our gardens, as a template for making inorganic leaf, while retaining the nanospace available within the leaf architecture. The answer is {\textquoteright}yes{\textquoteright}, and it is demonstrated with inorganic leaf made up of ZnO, by intercalating Zn2+ ions into the porous channels of the champa (Plumeria, Magnolia champaca) tree leaves. TEM studies reveal a variety of macro-micro-nanospace available in the inorganic leaf ZnO (IL-ZnO), and suggest the possibility of exploiting the same to produce natural nano-architecture for various applications. A speciality of the present work is the maximum suppression of defects in photoluminescence of IL-ZnO leaf, compared to the commercial ZnO, which is exploited for light harvesting through chemical conversion. Benzene to phenol conversion was studied in UV light and IL-ZnO show significant conversion and yield demonstrating C-H activation at ambient temperature.
}, doi = {10.1166/jnn.2016.12912}, author = {Sathu, Naveen K. and Devaraji, Perumal and Gopinath, Chinnakonda S.} } @article { ISI:000365857100003, title = {Green synthesis of silver nanoparticles from purple acid phosphatase apoenzyme isolated from a new source limonia acidissima}, journal = {Journal of Experimental Nanoscience}, volume = {11}, number = {1}, year = {2016}, month = {JAN}, pages = {28-37}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Green synthesis of nanoparticles is regarded as a safe and non-toxic process whereas conventional synthesis using chemical methods produces toxic substance. This study provides a novel insight for enzymatic synthesis method of silver nanoparticles using purple acid phosphatase, isolated from Limonia acidissima (wood apple) as a new source and used in the synthesis of silver nanoparticles. Stable silver nanoparticles were produced by sonochemical method using apoenzyme as a stabilising and capping agent and were characterised by various physicochemical techniques like UV-Visible spectroscopy, Fourier-transform infrared, X-ray diffraction and transmission electron microscopy. X-ray study shows that nanoparticles are composed of silver and silver oxide. The synthesised nanoparticles exhibited excellent antimicrobial activity against Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aureus.
}, keywords = {green synthesis, Limonia acidissima, purple acid phosphatase, silver nanoparticles}, issn = {1745-8080}, doi = {10.1080/17458080.2015.1025300}, author = {Pawar, Omkar and Deshpande, Neelima and Dagade, Sharda and Waghmode, Shobha and Joshi, Preeti Nigam} } @article { ISI:000371177100032, title = {Green synthesis of stable Cu(0) nanoparticles onto reduced graphene oxide nanosheets: a reusable catalyst for the synthesis of symmetrical biaryls from arylboronic acids under base-free conditions (vol 5, pg 1251, 2015)}, journal = {Catalysis Science \& Technology}, volume = {6}, number = {4}, year = {2016}, month = {FEB}, pages = {1234-1234}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Correction for {\textquoteleft}Green synthesis of stable Cu(0) nanoparticles onto reduced graphene oxide nanosheets: a reusable catalyst for the synthesis of symmetrical biaryls from arylboronic acids under base-free conditions{\textquoteright} by Najrul Hussain et al., Catal. Sci. Technol., 2015, 5, 1251{\textendash}1260.
}, issn = {2044-4753}, doi = {10.1039/c6cy90017h}, author = {Hussain, Najrul and Gogoi, Pranjal and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V. and Das, Manash R.} } @article {42940, title = {GSH Induced controlled release of levofloxacin from a purpose-built prodrug: luminescence response for probing the drug release in escherichia coli and staphylococcus aureus}, journal = {Bioconjugate Chemistry}, volume = {27}, year = {2016}, month = {SEP}, pages = {2062-2070}, abstract = {
Fluoroquinolones are third-generation broad spectrum bactericidal antibiotics and work against both Gram-positive and Gram-negative bacteria. Levofloxacin (L), a fluoroquinolone, is widely used in anti-infective chemotherapy and treatment of urinary tract infection and pneumonia. The main pathogen for urinary tract infections is Escherichia colt, and Streptococcus pneumoniae is responsible for pneumonia, predominantly a lower respiratory tract infection. Poor permeability of L leads to the use of higher dose of this drug and excess drug in the outer cellular fluid leads to central nervous system (CNS) abnormality. One way to counter this is to improve the lipophilicity of the drug molecule, and accordingly, we have synthesized two new Levofloxacin derivatives, which participated in the spatiotemporal release of drug via disulfide bond cleavage induced by glutathione (GSH). Recent studies with Streptococcus mutants suggest that it is localized in epithelial lining fluid (ELF) of the normal lower respiratory tract and the effective [GSH] in ELF is similar to 430 mu M. E. coli typically cause urinary tract infections and the concentration of GSH in porcine bladder epithelium is reported as 0.6 mM for a healthy human. Thus, for the present study we have chosen two important bacteria (Gram + ve and Gram - ve), which are operational in regions having high extracellular GSH concentration. Interestingly, this supports our design of new lipophilic Levofloxacin based prodrugs, which released effective drug on reaction with GSH. Higher lipophilicity favored improved uptake of the prodrugs. Site specific release of the drug (L) could be achieved following a glutathione mediated biochemical transformation process through cleavage of a disulfide bond of these purpose-built prodrugs. Further, appropriate design helped us to demonstrate that it is possible also to control the kinetics of the drug release from respective prodrugs. Associated luminescence enhancement helps in probing the release of the drug from the prodrug in bacteria and helps in elucidating the mechanistic pathway of the transformation. Such an example is scarce in the contemporary literature.
}, doi = {10.1021/acs.bioconjchem.6b00324}, author = {Pal, Suman and Ramu, Vadde and Taye, Nandaraj and Mogare, Devraj G. and Yeware, Amar M. and Sarkar, Dhiman and Reddy, D. Srinivasa and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000380823400047, title = {H2S detection using low-cost SnO2 nano-particle Bi-layer OFETs}, journal = {Sensors and Actuators B-Chemical}, volume = {235}, year = {2016}, month = {NOV}, pages = {378-385}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
In this article, a unique platform with an organic field-effect transistor (OFET) integrated with metal oxide nanoparticles for sensing of H2S gas is presented. Metal oxide nanoparticles such as SnO2 and ZnO synthesized using herbal techniques were used in the fabrication of OFETs using a bi-layer technique. The as -synthesized nanoparticles were characterized by Field Effect Scanning Electron Microscopy (FESEM), X-ray diffraction (XRD) and UV-vis Spectroscopy (UV-vis) to establish the material properties. We showed that the SnO2 based OFETs displayed better response for H2S at room temperature (25 degrees C) compared to the OFETs fabricated with ZnO. The characterization of the sensors by using extracted electrical parameters like field-effect mobility ([1), On -Current (Ion), threshold voltage (VT) and saturation current (ID]) establish the fact that the SnO2 based OFETs detect H2S gas at room temperature. Plausible mechanisms explaining the H2S gas detection by bi-layer film were discussed. On the other hand, the sensitivity of these OFETs against other reducing gases was less. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {bi-layer, H2S detection, Metal-oxide, OFETs, Sensor}, issn = {0925-4005}, doi = {10.1016/j.snb.2016.05.096}, author = {Surya, Sandeep G. and Ashwath, B. S. Narayan and Mishra, Sushma and Karthik, A. R. B. and Sastry, A. B. and Bhagavatula L. V. Prasad and Rangappa, Dinesh and Rao, V. Ramgopal} } @article {43597, title = {Heat and mass transfer analysis of a pot-in-pot refrigerator using reynolds flow model}, journal = {Journal of Thermal Science and Engineering Applications}, volume = {8}, year = {2016}, month = {SEP}, pages = {Article Number: 031006}, abstract = {Heat and mass transfer analysis of evaporative cooling process in a pot-in-pot cooling system is done based on Reynolds flow hypotheses. The model proposed herein assumes that the heat transfer due to natural convection is coupled with an imaginary ambient air mass flow rate (gAo) which is an essential assumption in order to arrive at the solution for the rate of water evaporation. Effect of several parameters on the pot-in-pot system performance has been studied. The equations are iteratively solved and detailed results are presented to evaluate the cooling performance with respect to various parameters: ambient temperature, relative humidity (RH), pot height, pot radius, total heat load, thermal and hydraulic conductivity, and radiation heat transfer. It was found that pot height, pot radius, total heat load, and radiation heat transfer play a critical role in the performance of the system. The model predicts that at an ambient temperature of 50 degrees C and RH of 40\%, the system achieves a maximum efficiency of 73.44\% resulting in a temperature difference of nearly 20 degrees C. Similarly, for a temperature of 30 degrees C and RH of 80\%, the system efficiency was minimum at 14.79\%, thereby verifying the usual concept that the pot-in-pot system is best suited for hot and dry ambient conditions.}, doi = {10.1115/1.4033010}, author = {Pandey, Ramendra and Pesala, Bala} } @inbook {45859, title = {Heterogeneous catalysis}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {41-111}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {A majority of industrial catalytic processes use heterogeneous catalysts because of their engineering advantages. At present, heterogeneous catalysis covers almost 80\% of the global market share. The demand for heterogeneous catalysis is growing annually. In 2010, it was about US 14 billion and expected estimation of it in 2015 is around 20 billion. Understanding at the molecular level the way surfaces of solids catalyze chemical reactions is a challenge in this area of research. This chapter introduces the fundamentals of heterogeneous catalysis, current industrial practices using solid catalysts, reaction steps involved in heterogeneous catalysis, conventional and advanced methods of catalyst preparation, catalyst characterization techniques, causes for catalyst deactivation, steps to avoid deactivation, and methods of catalyst reactivation. }, issn = {978-012801457-8}, doi = {10.1016/B978-0-12-801457-8.00003-3}, author = {Unnikrishnan, P. and Srinivas, D.} } @article {43310, title = {Heterotriangulene-based unsymmetrical squaraine dyes: synergistic effects of donor moieties and out-of-plane branched alkyl chains on dye cell performance}, journal = {Journal of Materials Chemistry A}, volume = {4}, year = {2016}, month = {NOV}, pages = {18910-18921}, abstract = {Unsymmetrical squaraine sensitizers with two different donor moieties, triphenylamine (NSQR) and heterotriangulene (NSQ1{\textendash}3), for dye-sensitized solar cells (DSSCs) have been designed and synthesized. These dyes utilize the indolium moiety to control charge recombination dynamics at the TiO2-dye-electrolyte interface by connecting linear and branched alkyl functionalities. In the present study, an efficient heterotriangulene (HT) donor and a branched alkyl group at sp3-C atoms were strategically incorporated to increase the power conversion efficiency (PCE) of zwitterionic dyes by improving photo-current density (Jsc) and open-circuit potential (Voc) of the cell. Among these four dyes, NSQ3 exhibited the highest efficiency of 6.73\% with a Jsc of 18.74 mA cm-2, Voc of 0.53 V, and fill factor (ff) of 68.3\%, without any co-adsorbent under an irradiance of 100 mW cm-2 (simulated AM 1.5G sunlight). In the presence of 3α,7α-dihydroxy-5β-cholanic acid (CDCA), NSQ1, NSQ2 and NSQ3 showed an efficiency of 7.07\%, 7.38\% and 7.17\%, respectively. Despite the low Voc, far red light harvesting efficiency, reduced dye aggregation, long lifetime (τ) of injected electrons and high quantum efficiency of NSQ1{\textendash}3 played constructive roles in achieving high PCE efficiency. Deceleration of charge recombination for NSQ dye cells was further studied by electrochemical impedance spectroscopy (EIS) and open-circuit photo-voltage decay (OCVD) measurements.}, doi = {10.1039/C6TA08651A}, author = {Karjule, Neeta and Munavvar, Fairoos M. K. and Nithyanandhan, Jayaraj} } @article { ISI:000381834800016, title = {Hierarchical K/LTL zeolites: synthesis by alkali treatment, characterization and catalytic performance in knoevenagel condensation reaction}, journal = {Journal of Industrial and Engineering Chemistry}, volume = {40}, year = {2016}, month = {AUG}, pages = {128-136}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {
The hierarchical K/LTL zeolites prepared by post-synthesis modification with aqueous 1.5 M KOH solution by varying alkali volume to K/LTL zeolite (10-70 ml/g) ratios, were examined in Knoevenagel condensation. The physico-chemical properties of the catalysts were thoroughly evaluated by PXRD, ICP, CO2-TPD, XPS, N-2 adsorption/desorption and Si-29 and Al-22 MAS-NMR. Among all the samples, hierarchical K/LTL prepared by treating K/LTL with 50 ml aqueous 1.5 M KOH solution per gram of K/LTL displayed about 1.5 fold higher catalytic activity as compared to parent K/LTL, presumably because of combined effect of enhanced basicity and molecular diffusion through pore channels. (C)2016 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.
}, keywords = {Basicity, Hierarchical zeolite, K/LTL, Knoevenagel condensation, Micro-mesoporous composite}, issn = {1226-086X}, doi = {10.1016/j.jiec.2016.06.016}, author = {Tangale, Nilesh P. and Sonar, Shilpa K. and Niphadkar, Prashant S. and Joshi, Praphulla N.} } @article { ISI:000379250900005, title = {High ash char gasification in thermo-gravimetric analyzer and prediction of gasification performance parameters using computational intelligence formalisms}, journal = {Chemical Engineering Communications}, volume = {203}, number = {8}, year = {2016}, month = {JAN}, pages = {1029-1044}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
The coal gasification is a cleaner and more efficient process than the coal combustion. Although high ash coals are commonly utilized in the energy generation, systematic gasification kinetic studies using chars derived from these coals are scarce. Accordingly, this paper reports the development of the data-driven models for the gasification of chars derived from the high ash coals. Specifically, the models predict two important gasification performance parameters, viz. gasification rate constant and reactivity index. These models have been constructed using three computational intelligence (CI) methods, namely genetic programming (GP), multilayer perceptron (MLP) neural network (NN), and support vector regression (SVR). The inputs to the CI-based models consist of seven parameters representing the gasification reaction conditions and properties of high ash coals and chars. The data used in the modeling were collected by performing extensive gasification experiments in the CO2 atmosphere in a thermo-gravimetric analyzer (TGA) using char samples derived from the Indian coals containing high ash content. Values of the two gasification performance parameters were obtained by fitting the experimental data to the shrinking unreacted core (SUC) model. It has been observed that all the CI-based models possess an excellent prediction accuracy and generalization capability. Accordingly, these models can be gainfully employed in the design and operation of the fixed and fluidized bed gasifiers using high ash coals.
}, keywords = {Char gasification kinetic modeling, Data-driven modeling, genetic programming, Multilayer perceptron neural network, support vector regression, Thermo-gravimetric analyzer}, issn = {0098-6445}, doi = {10.1080/00986445.2015.1135795}, author = {Patil-Shinde, Veena and Saha, Sujan and Sharma, Bijay K. and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @article { ISI:000378715600028, title = {High hydroxide conductivity in a chemically stable crystalline metal-organic framework containing a water-hydroxide supramolecular chain}, journal = {Chemical Communications}, volume = {52}, number = {54}, year = {2016}, month = {JUN}, pages = {8459-8462}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A chemically stable cationic MOF encapsulating an in situ formed water-hydroxide supramolecular anionic chain is realized for high hydroxide (OH-) ion conductivity in the solid-state (Type A). High OH- ion conductivity and low activation energy of the MOF demonstrate the advantage of the in situ incorporation of OH- ions to achieve efficient OH- ion conduction in the solid-state.
}, issn = {1359-7345}, doi = {10.1039/c6cc04436k}, author = {Nagarkar, Sanjog S. and Anothumakkool, Bihag and Desai, Aamod V. and Shirolkar, Mandar M. and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article { ISI:000371753500044, title = {High loading of pd nanoparticles by interior functionalization of mofs for heterogeneous catalysis}, journal = {Inorganic Chemistry}, volume = {55}, number = {5}, year = {2016}, month = {MAR}, pages = {2345-2354}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In this report, the issue related to nanoparticle (NP) agglomeration upon increasing their loading amount into metal-organic frameworks (MOFs) has been addressed by functionalization of MOFs with alkyne groups. The alkynophilicity of the Pd2+ (or other noble metals) ions has been utilized successfully for significant loading of Pd NPs into alkyne functionalized MOFs. It has been shown here that the size and loading amount of Pd NPs are highly dependent on the surface area and pore width of the MOFs. The loading amount of Pd NPs was increased monotonically without altering their size distribution on a particular MOF. Importantly, the distinct role of alkyne groups for Pe(2+) stabilization has also been demonstrated by performing a control experiment considering a MOF without an alkyne moiety. The preparation of NPs involved two distinct steps viz. adsorption of metal ions inside MOFs and reduction of metal ions. Both of these steps were monitored by microscopic techniques. This report also demonstrates the applicability of Pd@MOF NPs as extremely efficient heterogeneous catalysts for Heck-coupling and hydrogenation reactions of aryl bromides or iodides and alkenes, respectively.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b02739}, author = {Gole, Bappaditya and Sanyal, Udishnu and Banerjee, Rahul and Mukherjee, Partha Sarathi} } @article {43585, title = {High performance humidity sensor and photodetector based on SnSe nanorods}, journal = {Materials Research Express}, volume = {3}, year = {2016}, month = {OCT}, pages = {Article Number: 105038}, abstract = {Tin selenide (SnSe) nanorods were synthesized using a. one-step solvothermal route and. their. humidity sensing and photodetection performance at room temperature were investigated. The results depict. that SnSe nanorod-based humidity and photosensors have. good long-term stability, are. highly sensitive and have. fast response and recovery times. In the. case of the. humidity sensor it was observed that the resistance of the films decreased. with increasing relative humidity (RH). The humidity sensing behaviors were investigated in the range. 11-97\% RHat room temperature. A. response time of similar to 68 s and recovery time of similar to 149 s were observed for. the humidity sensor. The photosensing behavior showed. typical response/recovery times of similar to 3 s with highly reproducible behavior.}, doi = {10.1088/2053-1591/3/10/105038}, author = {Pawbake, Amit S. and Jadkar, Sandesh R. and Late, Dattatray J.} } @article {45832, title = {High-index faceted Au nanocrystals with highly controllable optical properties and electro-catalytic activity}, journal = {Nanoscale}, volume = {8}, year = {2016}, month = {NOV}, pages = {19224-19228}, type = {Article}, abstract = {
We introduce a new and naturally abundant mild reducing agent, tannic acid, to improve the seed-mediated growth method for the synthesis of elongated tetrahexahedral Au nanocrystals enclosed with high-index (730) planes, at room-temperature. The control of the dimensions, plasmonics and electro-catalysis of such high-index faceted nanocrystals is remarkable.
}, issn = {2040-3364}, doi = {10.1039/c6nr06922c}, author = {Rajendra, Ranguwar and Gangadharan, Pranav K. and Tripathi, Shalini and Kurungot, Sreekumar and Ballav, Nirmalya} } @article { ISI:000370100200012, title = {Highly active bile salt hydrolase from enterococcus faecalis shows positive cooperative kinetics}, journal = {Process Biochemistry}, volume = {51}, number = {2}, year = {2016}, month = {FEB}, pages = {263-269}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Bile salt hydrolase (BSH; cholylglycine hydrolase, EC 3.5.1.24) is an important enzyme that catalyses the deconjugation of bile acids conjugated with glycine or taurine and assists in the reduction of blood cholesterol levels. In the present study, we report the cloning, overexpression and characterisation of BSH gene from a gut-associated microbe Enterococcus faecalis (EfBSH). The overexpressed protein in Escherichia coli was purified to homogeneity. Optimum pH and temperature for activity were found to be 5.0 and 50 degrees C, respectively. The enzyme was considerably stable in the pH range of 5.0-7.0 and at a temperature of up to 50 degrees C. It showed high specific activity of 1390 U mg(-1) and 1289 U mg-1 for substrates such as glycocholic acid (GCA) and glycodeoxycholic acid (GDCA), respectively. The effect of additives on enzyme activity was assessed, and the detergent Triton X showed a marginally enhanced activity. The enzyme demonstrated unique enzyme kinetics of non-linear regression, thereby displaying positive cooperativity. In addition, the modulating effect of the non-substrate ligand Pen V on the hydrolysing ability of EfBSH towards bile acid such as GDCA was measured. It was observed that Pen V significantly enhanced the BSH activity. This is markedly different from the previously reported competitive inhibition of BSH activity by Pen V. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Allosteric regulation, Bile acids, Bile salt hydrolase, Enzyme kinetics, Gut organism, Penicillin V acylase}, issn = {1359-5113}, doi = {10.1016/j.procbio.2015.12.006}, author = {Chand, Deepak and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000380362700025, title = {Highly efficient nitrogen-doped hierarchically porous carbon supported Ni nanoparticles for the selective hydrogenation of furfural to furfuryl alcohol}, journal = {RSC Advances}, volume = {6}, number = {72}, year = {2016}, month = {JUL}, pages = {67662-67668}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Nickel nanoparticles supported on nitrogen doped hierarchically porous carbon (Ni/CN) are found to be highly efficient and reusable catalysts for the selective hydrogenation of biomass-derived furfural to furfuryl alcohol (FA). Various characterization methods were used to study the structural and morphological features of the catalysts. Furfural conversion of 96\% and 95\% FA selectivity was obtained using a 5 wt\% Ni/CN catalyst. This catalyst showed excellent recyclability without any loss in activity and FA selectivity when it was reused four times. The higher catalytic performance is attributed to the nitrogen incorporated hierarchical porous 3D carbon network.
}, issn = {2046-2069}, doi = {10.1039/c6ra14078e}, author = {Kotbagi, Trupti V. and Gurav, Hanmant R. and Nagpure, Atul S. and Chilukuri, Satyanarayana V. and Bakker, Martin G.} } @article {43411, title = {Highly selective direct azidation of alcohols over a heterogeneous povidone-phosphotungstic solid acid catalyst}, journal = {New Journal of Chemistry}, volume = {40}, year = {2016}, month = {DEC}, pages = {10240-10245}, abstract = {A simple protocol for the selective azidation of alcohols is developed using a solid acid hybrid of a povidone and phosphotungstic acid (PVP-PWA) using azidotrimethylsilane as an azide source at room temperature. In a broad substrate scope, various activated as well as unactivated benzylic and diphenyl alcohols were treated smoothly with TMS-N-3 to selectively produce only azide products with excellent yields in a very short reaction time of 2 h. FT-IR confirmed the stability of the catalyst with retention of the Keggins structure after the reaction. Recycling experiments demonstrated the reusability of the PVP PWA (3:1) several times without losing its original activity.}, doi = {10.1039/c6nj02500e}, author = {Kamble, Sumit and More, Sagar and Rode, Chandrashekhar V.} } @article {45637, title = {Highly stable In-SBA-15 catalyst for vapor phase Beckmann rearrangement reaction}, journal = {Microporous and Mesoporous Materials}, volume = {234}, year = {2016}, month = {NOV }, pages = {293-302}, type = {Article}, abstract = {
The Indium doped SBA-15 material was prepared by sol-gel method and tested for vapor phase Beckman rearrangement reaction. Among three indium loading, In/Si ratio of 2/100 was found as an optimum composition in terms of caprolactam selectivity (100\%) and cyclohexanone oxime conversion (100\%). The catalysts were characterized by N-2 adsorption, small-angle X-rays/neutron scattering (SAXS/SANS), XRD, FESEM, HRTEM, EDX, UV, FTIR and NH3-TPD techniques. In-situ SANS experiment was performed on the adsorption of CO2 to detect the micropores in the mesopore wall. All catalysts samples have highly ordered hexagonal structure with well dispersed indium in the silica matrix. The fine tuning of weak and strong acid sites were found in indium doped SBA-15 (In/Si = 2/100) catalyst. The same catalyst showed optimum catalytic performance, high space time yield 114.4 mol/h/g(cat) and high stability till 6 h of reaction without deactivation. The micro-kinetic analysis showed that there were no external and internal diffusion limitations in the SBA-15 catalyst. The reaction mechanism of Beckmann rearrangement over In-SBA-15 has been elucidated. (C) 2016 Elsevier Inc. All rights reserved.
}, keywords = {e-Caprolactam, In-situ SANS, indium, SAXS, SBA-15}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2016.07.024}, author = {Kumar, Rawesh and Shah, Sneha and Bahadur, Jitendra and Melnichenko, Yuri B. and Sen, Debasis and Mazumder, S. and Vinod, Chathakudath P. and Chowdhury, Biswajit} } @article { ISI:000380052000012, title = {Highly stable laser-scribed flexible planar microsupercapacitor using mushroom derived carbon electrodes}, journal = {Advanced Materials Interfaces}, volume = {3}, number = {11}, year = {2016}, month = {JUN}, pages = {1600057}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A report is presented on the fabrication of all solid-state interdigitated flexible microsupercapacitor using ultrafast and highly scalable laser scribing technique, using highly mesoporous carbon synthesized from biomass (mushroom) with hydrothermal preprocessing. The specific protocol used for carbon synthesis renders some unique property features to the material (surface area of 2604 m(2) g(-1) with hierarchical pore size distribution) in the context of supercapacitor electrode application. A polyvinyl alcohol (PVA)-H2SO4 gel electrolyte is used for electrochemical measurements. The microsupercapacitor shows high cyclic stability up to 15000 cycles. Moreover it shows nearly 90\% stability after 1000 bending cycles at 60 degrees angle. It also retains its performance even under 120 degrees bending condition. This work represents a facile and fast technique for microscaled device fabrication that can be easily commercialized. Moreover, the mushroom-derived carbon used to make the electrodes holds great promise in context of the stability and flexibility of flexible supercapacitors.
}, issn = {2196-7350}, doi = {10.1002/admi.201600057}, author = {Yadav, Poonam and Basu, Aniruddha and Suryawanshi, Anil and Game, Onkar S. and Ogale, Satishchandra} } @article { ISI:000369753300003, title = {Highly stereoselective, intermolecular haloetherification and haloesterification of allyl amides}, journal = {Synthesis-Stuttgart}, volume = {48}, number = {3}, year = {2016}, month = {FEB}, pages = {A25-A28}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, issn = {0039-7881}, author = {Soltanzadeh, Bardia and Jaganathan, Arvind and Borhan, Babak} } @article { ISI:000370211400055, title = {Highly transparent wafer-scale synthesis of crystalline WS2 nanoparticle thin film for photodetector and humidity-sensing applications}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {5}, year = {2016}, month = {FEB}, pages = {3359-3365}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In the present investigation, we report a one-step synthesis method of wafer-scale highly crystalline tungsten disulfide (WS2) nanoparticle thin film by using a modified hot wire chemical vapor deposition (HW-CVD) technique. The average size of WS2 nanoparticle is found to be 25-40 nm over an entire 4 in. wafer of quartz substrate. The low-angle XRD data of WS2 nanoparticle shows the highly crystalline nature of sample along with orientation (002) direction. Furthermore, Raman spectroscopy shows two prominent phonon vibration modes of E12g and A1g at similar to 356 and similar to 420 cm(-1), respectively, indicating high purity of material. The TEM analysis shows good crystalline quality of sample. The synthesized WS2 nanoparticle thin film based device shows good response to humidity and good photosensitivity along with good long-term stability of the device. It was found that the resistance of the films decreases with increasing relative humidity (RH). The maximum humidity sensitivity of 469\% along with response time of similar to 12 s and recovery time of similar to 13 s were observed for the WS2 thin film humidity sensor device. In the case of photodetection, the response time of similar to 51 s and recovery time of similar to 88 s were observed with sensitivity similar to 137\% under white light illumination. Our results open up several avenues to grow other transition metal dichalcogenide nanoparticle thin film for large-area nanoelectronics as well as industrial applications.
}, keywords = {chemical vapor deposition, humidity sensor, nanoparticle, photosensor, thin film, tungsten disulfide}, issn = {1944-8244}, doi = {10.1021/acsami.5b11325}, author = {Pawbake, Amit S. and Waykar, Ravindra G. and Late, Dattatray J. and Jadkar, Sandesh R.} } @article { ISI:000368651100021, title = {High-Performance flexible solid-state supercapacitor with an extended nanoregime interface through in situ polymer electrolyte generation}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {2}, year = {2016}, month = {JAN}, pages = {1233-1241}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
{Here, we report an efficient strategy by which a significantly enhanced electrodeelectrolyte interface in an electrode for supercapacitor application could be accomplished by allowing in situ polymer gel electrolyte generation inside the nanopores of the electrodes. This unique and highly efficient strategy could be conceived by judiciously maintaining ultraviolet-triggered polymerization of a monomer mixture in the presence of a high-surface-area porous carbon. The method is very simple and scalable, and a prototype, flexible solid-state supercapacitor could even be demonstrated in an encapsulation-free condition by using the commercial-grade electrodes (thickness = 150 mu m
}, keywords = {cyclic voltametry, impedance analysis, in situ polymer generation, interface, polymer electrolyte, supercapacitor}, issn = {1944-8244}, doi = {10.1021/acsami.5b09677}, author = {Anothumakkool, Bihag and Torris, Arun A. T. and Veeliyath, Sajna and Vijayakumar, Vidyanand and Badiger, Manohar V. and Kurungot, Sreekumar} } @article {43573, title = {High-performance organic-inorganic hybrid piezo-nanogenerator via interface enhancedpolarization effects for self-powered electronic systems}, journal = {Advanced Materials Interfaces}, volume = {3}, year = {2016}, month = {OCT}, pages = {Article Number: 1600492}, abstract = {An electrospun fi ber based wearable organic-inorganic hybrid piezonanogenerator compose of suitably engineered P(VDF-TrFE) and BaTiO3 nanostructures is reported. In the case of the device with an electrospun mat of piezoelectric beta-phase P(VDF-TrFE) and BaTiO3 nanoparticulates fi lled in the interfi ber open spaces, a power density of 16 mu W cm(-2) is realized at an applied impact of 0.02 MPa (which essentially corresponds to the thumb pressure). A similar device, with BaTiO 3 additionally embedded in the P(VDF-TrFE) fi bers during their formation, renders a signifi cantly higher peak power density of 28 mu W cm(-2) with instantaneous power density of approximate to 8.8 mu W cm(-2) at the same touch pressure. This performance is attributed to the high density of interfaces in such a device and the corresponding enhancement in the dielectric response. It is demonstrated that the power generated from such a hybrid device structure can be used for small scale applications such as charging a mobile phone.}, doi = {10.1002/admi.201600492}, author = {Dhakras, Dipti and Ogale, Satishchandra} } @article { ISI:000375521000042, title = {Humidity sensing and photodetection behavior of electrochemically exfoliated atomically thin-layered black phosphorus nanosheets}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {18}, year = {2016}, month = {MAY}, pages = {11548-11556}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Recent investigations on two-dimensional black phosphorus material mainly highlight work on few atomic layers and multilayers. It is still unknown if the black phosphorus atomically thin sheet is an ideal structure for the enhanced gas solid interactions due to its large surface area. To further investigate this concern, we have synthesized few atomic layer thick nanosheets of black phosphorus using an electrochemical exfoliation method. The surface morphology and thickness of the nanosheet were identified using AFM, TEM, and Raman spectroscopy. The black phosphorus nanosheet thick film device was used for the gas sensing application with exposure to different humidites. Further, the few layer black phosphorus nanosheet based transistor shows good mobility and on/off ratio. The UV light irradiation on the black phosphorus nanosheet shows good response time. The overall results show that the few layer thick film of black phosphorus nanosheets sample exhibits creditable sensitivity and better recovery time to be used in humidity sensor and photodetector applications.
}, keywords = {black phosphorus, electrochemical exfoliation, humidity sensor, photodetector}, issn = {1944-8244}, doi = {10.1021/acsami.5b10247}, author = {Erande, Manisha B. and Pawar, Mahendra S. and Late, Dattatray J.} } @article { ISI:000368563000102, title = {Hybrid perovskite quantum nanostructures synthesized by electrospray antisolvent-solvent extraction and intercalation}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {1}, year = {2016}, month = {JAN}, pages = {854-861}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Perovskites based on organometal lead halides have attracted great deal of scientific attention recently in the context of solar cells and optoelectronic devices due to their unique and tunable electronic and optical properties. Herein, we show that the use of electrospray technique in conjunction with the antisolventsolvent extraction leads to novel low-dimensional quantum structures (especially 2-D nanosheets) of CH3NH3PbI3- and CH3NH3PbBr3-based layered perovskites with unusual luminescence properties. We also show that the optical bandgaps and emission characteristics of these colloidal nanomaterials can be tuned over a broad range of visible spectral region by compositional tailoring of mixed-halide (I- and Br-based) perovskites.
}, keywords = {2D nanostructure systems, antisolvent-solvent extraction, bandgap tuning, electrospray, nanosheets, perovskite, quantum dots}, issn = {1944-8244}, doi = {10.1021/acsami.5b10208}, author = {Naphade, Rounak and Nagane, Satyawan and Shanker, G. Shiva and Fernandes, Rohan and Kothari, Dushyant and Zhou, Yuanyuan and Padture, Nitin P. and Ogale, Satishchandra} } @article {42689, title = {Hydralazine inhibits amyloid beta (Aβ) aggregation and glycation and ameliorates Aβ1{\textendash}42 induced neurotoxicity}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {NOV}, pages = {108768-108776}, doi = {10.1039/C6RA20225J}, author = {Batkulwar, Kedar B. and Jana, Asis K. and Godbole, Rashmi K. and Khandelwal, Puneet and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article {45860, title = {Hydrogel-derived soft materials for biomimetic and energy-related functions}, journal = {Australian Journal of Chemistry}, volume = {69}, year = {2016}, month = {AUG}, pages = {2-7}, type = {Article}, abstract = {Supramolecular assembly of molecules leading to gelation of large amount of solvents is always a fascinating topic of research. In the very recent past, the exciting developments have marked hydrogels as intriguing materials with excellent features. Hydrogel scaffolds enable the accommodation of organic and/or inorganic guest materials to deliver diverse applications. Hydrogels have been exploited to generate soft materials with mechanical anisotropy, tunable rigidity, self-healing properties, as well as photocatalytic capabilities towards H2 production. Remarkably, the combination of a photocatalyst and a light-harvesting system in the gel matrix provides a unique means to photocatalytic H2 production. The biomimetic applications of hydrogels have also generated much attraction due to their potential demonstrations. The diverse applications underline the significance of such a soft gel medium to reach the final goal. Herein, important reports pertaining to the use of hydrogels as an effective way to generate advanced materials for biomimetic and energy-related issues are discussed. }, doi = {10.1071/CH15304}, author = {Goudappagouda, and Wakchaure, V. C. and Ranjeesh, K. C. and Babu, S. S.} } @article { ISI:000377203300035, title = {Hydrogen adsorption in ZIF-7: A DFT and ab-initio molecular dynamics study}, journal = {Chemical Physics Letters}, volume = {651}, year = {2016}, month = {MAY}, pages = {178-182}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Primary H-2 adsorption sites in a zeolitic imidazolate framework, ZIF-7, are identified using ab-initio density functional theory (DFT) based molecular dynamics annealing simulations. The simulations suggest several low energy adsorption sites. The effect of light transition metal decoration on hydrogen storage properties was studied. Our ab-intio DFT calculations illustrate that decorating the ZIF with Sc increases both the number of H-2 molecules, as well as the H-2 binding energy. The binding energy (similar to 25 kJ/mol per H-2) at 8H(2) loading in the pore, suggests that Sc-ZIFs can be potential candidates for hydrogen storage. (C) 2016 Elsevier B.V. All rights reserved.
}, issn = {0009-2614}, doi = {10.1016/j.cplett.2016.03.030}, author = {Dixit, Mudit and Major, Dan Thomas and Pal, Sourav} } @article { ISI:000376119000058, title = {Hydrogenation of cinnamaldehyde to hydrocinnamaldehyde over Pd nanoparticles deposited on nitrogen-doped mesoporous carbon}, journal = {RSC Advances}, volume = {6}, number = {50}, year = {2016}, month = {APR}, pages = {44333-44340}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Palladium nanoparticles deposited on nitrogen-doped mesoporous carbon (NMC) were synthesized by simple ultrasonic-assisted method. This novel Pd-NMC catalyst was highly active and selective for the hydrogenation of cinnamaldehyde (CA) to hydrocinnamaldehyde (HCA) at room temperature (30 degrees C) under low H-2 pressure. The nitrogen-free mesoporous carbon (MC) and activated carbon (AC) were also employed as the support for Pd in the liquid-phase hydrogenation of CA. The incorporation of nitrogen into carbon matrix remarkably enhanced the catalytic activity and C=C bond hydrogenation selectivity (HCA selectivity of 93\% with 100\% CA conversion for Pd-NMC) in CA hydrogenation compared to the catalysts with no nitrogen (HCA selectivity of 66 and 47\% for Pd-MC and Pd-AC, respectively). Moreover, Pd-NMC catalyst demonstrated an excellent recyclability without any loss in activity and HCA selectivity when it was reused for six times. The superior catalytic performance of Pd-NMC catalyst in CA hydrogenation is attributed to the small size of Pd nanoparticles due to presence of high nitrogen content (11.6 wt\%) and mesoporous nature of NMC support.
}, issn = {2046-2069}, doi = {10.1039/c6ra04154j}, author = {Nagpure, Atul S. and Gurrala, Lakshmiprasad and Gogoi, Pranjal and Chilukuri, Satyanarayana V.} } @article {45652, title = {Hydrogen-bonded organic frameworks (HOFs): a new class of porous crystalline proton-conducting materials}, journal = {Angewandte Chemie-International Edition}, volume = {55}, year = {2016}, month = {AUG }, pages = {10667-10671}, type = {Article}, abstract = {
Two porous hydrogen-bonded organic frameworks (HOFs) based on arene sulfonates and guanidinium ions are reported. As a result of the presence of ionic backbones appended with protonic source, the compounds exhibit ultra-high proton conduction values (sigma) 0.75x 10(-2)Scm(-1) and 1.8x10(-2)Scm(-1) under humidified conditions. Also, they have very low activation energy values and the highest proton conductivity at ambient conditions (low humidity and at moderate temperature) among porous crystalline materials, such as metal-organic frameworks (MOFs) and covalent organic frameworks (COFs). These values are not only comparable to the conventionally used proton exchange membranes, such as Nafion used in fuel cell technologies, but is also the highest value reported in organic-based porous architectures. Notably, this report inaugurates the usage of crystalline hydrogen-bonded porous organic frameworks as solid-state proton conducting materials.
}, keywords = {guanidinium, hydrogen-bonded organic frameworks, porous crystalline frameworks, proton conduction, sulfonates}, issn = {1433-7851}, doi = {10.1002/anie.201604534}, author = {Karmakar, Avishek and Illathvalappil, Rajith and Anothumakkool, Bihag and Sen, Arunabha and Samanta, Partha and Desai, Aamod V. and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article { ISI:000372175300004, title = {I-2-mediated regioselective C-3 azidation of indoles}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, number = {11}, year = {2016}, month = {FEB}, pages = {3027-3030}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An unprecedented synthesis of novel 3-azido indoles has been developed using I-2 and NaN3 in high yields and excellent regio-selectivity. The reaction proceeds under metal-free conditions at room temperature. Essentially, an umpolung in reactivity at the C-3 position of indole has been achieved by the activation of indoles with I-2.
}, issn = {1477-0520}, doi = {10.1039/c6ob00295a}, author = {Prasad, Pragati K. and Kalshetti, Rupali G. and Reddi, Rambabu N. and Kamble, Sanjay P. and Sudalai, Arumugam} } @article {42901, title = {Identification of noreremophilane-based inhibitors of angiogenesis using zebrafish assays}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, year = {2016}, month = {OCT}, pages = {1569-1578}, author = {Muthukumarasamy, Kalai Mangai and Handore, Kishor L. and Kakade, Dipti N. and Shinde, Madhuri V. and Ranjan, Shashi and Kumar, Naveen and Sehrawat, Seema and Sachidanandan, Chetana and Reddy, D. Srinivasa} } @article { ISI:000375602300007, title = {Identification of unintuitive features of sumoylation through mathematical modeling}, journal = {Journal of Biological Chemistry}, volume = {291}, number = {18}, year = {2016}, month = {APR}, pages = {9458-+}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {
Sumoylation is a multistep, multienzymatic post-translational modification in which a small ubiquitin-like modifier protein (SUMO) is attached to the target. We present the first mathematical model for sumoylation including enzyme mechanism details such as autosumoylation of E2 and multifunctional nature of SENP. Simulations and analysis reveal three nonobvious properties for the long term response, modeled as an open system: (i) the steady state sumoylation level is robust to variation in several enzyme properties; (ii) even when autosumoylation of E2 results in equal or higher activity, the target sumoylation levels are lower; and (iii) there is an optimal SENP concentration at which steady state target sumoylation level is maximum. These results are qualitatively different for a short term response modeled as a closed system, where e.g. sumoylation always decreases with increasing SENP levels. Simulations with multiple targets suggest that the available SUMO is limiting, indicating a possible explanation for the experimentally observed low fractional sumoylation. We predict qualitative differences in system responses at short post-translational and longer transcriptional time scales. We thus use this mechanism-based model to explain system properties and generate testable hypotheses for existence and mechanism of unexpected responses.
}, issn = {0021-9258}, doi = {10.1074/jbc.M115.676122}, author = {Puntambekar, Shraddha S. and Nyayanit, Dimpal and Saxena, Priyanka and Gadgil, Chetan J.} } @article { ISI:000372657900015, title = {Immobilization of multivalent glycoprobes on gold surfaces for sensing proteins and macrophages}, journal = {Analyst}, volume = {141}, number = {7}, year = {2016}, month = {FEB}, pages = {2250-2258}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The multivalent display of carbohydrates on the cell surface provides cooperative binding to improve the specific biological events. In addition to multivalency, the spatial arrangement and orientation of sugars with respect to external stimuli also trigger carbohydrate-protein interactions. Herein, we report a non-covalent host-guest strategy to immobilize heptavalent glyco-beta-cyclodextrin on gold-coated glass slides to study multivalent carbohydrate-protein interactions. We have found that the localization of sugar entities on surfaces using beta-cyclodextrin (beta-CD) chemistry increased the avidity of carbohydrate-protein and carbohydrate-macrophage interactions compared to monovalent-beta-CD sugar coated surfaces. This platform is expected to be a promising tool to amplify the avidity of sugar-mediated interactions on surfaces and contribute to the development of next generation bio-medical products.
}, issn = {0003-2654}, doi = {10.1039/c5an02336j}, author = {Gade, Madhuri and Khandelwal, Puneet and Sangabathuni, Sivakoti and Bavireddi, Harikrishna and Murthy, Raghavendra Vasudeva and Poddar, Pankaj and Kikkeri, Raghavendra} } @article { ISI:000380625200002, title = {Immobilization of pectinase on reusable polymer support for clarification of apple juice}, journal = {Food and Bioproducts Processing}, volume = {99}, year = {2016}, month = {JUL}, pages = {12-19}, publisher = {INST CHEMICAL ENGINEERS}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {
Pectinase (E.C.3.2.1.15) was successfully immobilized on recyclable polymer matrix. The immobilization matrix was prepared by reaction of polyethyleneimine (mol. wt. 70,000) with epoxy-activated acrylate copolymer DILBEAD-VWR. The enzyme pectinase was first adsorbed on the polymer at pH 7.0 via ion exchange and then stabilized by crosslinking with dextran aldehyde. While the free enzyme shows a pH-optimum of 5.0, the immobilized enzyme exhibited high level of activity in a broad pH range of pH 3.0-7.0. Although the thermal stability of free and immobilized enzymes was similar, at room temperature, the immobilized enzyme could be recycled more than 10 times with loss of less than 5\% of its activity during clarification of apple juice. On the eventual loss of enzyme activity, the immobilized enzyme and dextran aldehyde can be easily removed from the polymer by a simple treatment with 1N HCl and the polymer can be reused for immobilization of a fresh batch of enzyme. This support also can be reused several times, making the process economically attractive. The properties of apple juice treated with immobilized enzyme were similar to those of that treated with free pectinase. (C) 2016 Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
}, keywords = {Apple juice, Dextran aldehyde, Immobilization, Pectinase, Polyethyleneimine, Polymer}, issn = {0960-3085}, doi = {10.1016/j.fbp.2016.03.004}, author = {Rajdeo, Kishor and Harini, Tirunagari and Lavanya, Kuna and Fadnavis, Nitin W.} } @article { ISI:000380735100016, title = {Impact of H2S impurity on carbon dioxide hydrate formation kinetics in fixed bed arrangements}, journal = {Industrial \& Engineering Chemistry Research}, volume = {55}, number = {29}, year = {2016}, note = {13th International Conference on Carbon Dioxide Utilization (ICCDU), Singapore, SINGAPORE, JUL 05-09, 2015}, month = {JUL}, pages = {7964-7972}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In the present work, a combination of silica sand and metallic sheets as a fixed bed media was used for carbon dioxide hydrate formation studies. Two metallic sheets, aluminum and brass, were incorporated into the fixed bed of silica sand to enhance heat transfer properties of the bed. The results obtained from this arrangement of metal sheets were compared with those obtained with a pure silica sand system. Both brass and aluminum systems were found to be good candidates to enhance gas hydrate formation kinetics compared to simply a sand system. Production of fuel gas from coal often contains a toxic gas, hydrogen sulfide (H2S). For the first time, the effect of H2S on the formation kinetics of CO2 + H-2 + H2S hydrates has been studied. It was observed that the presence of H2S does not affect the hydrate formation kinetics and total gas uptake in the presence of H2S is either as good as CO2 + H-2 hydrate or better. However, H2S impurity in the fuel gas mixture shows a corrosive effect on silica sand media.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b04079}, author = {Kumar, Asheesh and Sakpal, Tushar and Bhattacharjee, Gaurav and Kumar, Anupam and Kumar, Rajnish} } @article {43052, title = {Impact of modular substitution on crystal packing: the tale of two ureas}, journal = {CrystEngComm}, volume = {18}, year = {2016}, month = {AUG}, pages = { 7078-7094}, doi = {10.1039/C6CE01324D}, author = {Koshti, Vijay S. and Thorat, Shridhar H. and Gote, Ravindra P. and Chikkali, Samir H. and Gonnade, Rajesh G.} } @article {43432, title = {Improved all-polymer solar cell performance of n-type naphthalene diimide-bithiophene P(NDI2OD-T2) copolymer by incorporation of perylene diimide as coacceptor}, journal = {Macromolecules}, volume = {49}, year = {2016}, month = {NOV}, pages = {8113-8125}, abstract = {
Naphthalene diimide-bithiophene P(NDI2OD-T2) is a well-known donor-acceptor polymer, previously explored as n-type material in all-polymer solar cells (all-PSCs) and organic field effect transistor (OFETs) applications. The optical, bulk, electrochemical, and semiconducting properties of P(NDI2OD-T2) polymer were tuned via random incorporation of perylene diimide (PDI) as coacceptor with naphthalene diimide (NDI). Three random copolymers containing 2,2{\textquoteright}-bithiophene as donor unit and varying compositions of naphthalene diimide (NDI) and perylene diimide (xPDI, x = 15, 30, and 50 mol \% of PDI) as two mixed acceptors were synthesized by Stille coupling copolymerization. Proton NMR spectra recorded in CD Cl-3 showed that the pi-pi stacking induced aggregation among the naphthalene units could be successfully disrupted by the random incorporation of bulky PDI units. The newly synthesized random copolymers were investigated as electron acceptors in BHJ all-PSCs, and their performance was compared with P(NDI2OD-T2) as reference polymer. An enhanced PCE of 5.03\% was observed for BHJ all-PSCs (all-polymer solar cells) fabricated using NDI-Th-PDI30 as acceptor and PTB7-Th as donor, while the reference polymer blend with the same donor polymer exhibited PCE of 2.97\% efficiency under similar conditions. SCLC bulk carrier mobility measured for blend devices showed improved charge mobility compared to reference polymer, with PTB7-Th:NDI-Th-PDI30 blend device exhibiting the high hole and electron mobility of 4.2 x 10(-4) and 1.5 x 10(-4) cm(2)/(V s), respectively. This work demonstrates the importance of molecular design via random copolymer strategy to control the bulk crystallinity, compatibility, blend morphology, and solar cell performance of n-type copolymers.
}, doi = {10.1021/acs.macromol.6b01566}, author = {Sharma, Sandeep and Kolhe, Nagesh B. and Gupta, Vinay and Bharti, Vishal and Sharma, Abhishek and Datt, Ram and Chand, Suresh and Asha, S. K.} } @article { ISI:000369096800004, title = {Improved performance of microcapsules with polymer nanocomposite wall: preparation and characterization}, journal = {Polymer}, volume = {83}, year = {2016}, month = {JAN}, pages = {27-33}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Polyurea/clay nanocomposite microcapsules containing dimethyl phthalate (DMP) as a model compound were prepared by interfacial polymerization technique. Nanoclays namely, montmorillonite Na+ (MMT) and Laponite were incorporated into microcapsule wall and their effects on morphology, thermal properties and release of DMP from microcapsules were investigated. All microcapsules were characterized using scanning electron microscope (SEM), X-ray diffraction (XRD), transmission electron microscope (TEM), thermogravimetric analysis (TGA) and Fourier transform infrared (FTIR) spectroscopy. The present preparation process results in formation of polyurea/clay nanocomposite microcapsule wall with intercalated clay layered as evidenced by XRD and TEM. Nanocomposite microcapsules have shown significant reduction in release of DMP and change in release mechanism as compared to the pristine microcapsules. Nanocomposite microcapsules show good improvement in the fracture strength as compared to pristine microcapsules. The approach used herein is simple and can be adopted to many other polymeric microcapsule systems prepared by different microencapsulation techniques, requiring reduction in release rate and/or mechanism for several applications like pharmaceuticals, agrochemicals, industrially important chemicals, consumer products, etc. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Microcapsules, Nanoclay, Nanocomposites, Polyurea, Release mechanism}, issn = {0032-3861}, doi = {10.1016/j.polymer.2015.12.011}, author = {Jagtap, Siddheshwar B. and Mohan, Muthu Subramanian and Shukla, Parshuram G.} } @article {43570, title = {In situ electrochemical transformation of Ni3S2 and Ni3S2-Ni from sheets to nanodisks: towards efficient electrocatalysis for hydrogen evolution reaction (HER)}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {DEC}, pages = {6708-6712}, abstract = {Transition metal sulphides have been viewed as alternatives to platinum based electrocatalysts for HER. Herein, we report the preparation of Ni3S2 in conjunction with Ni in a novel nanosheet morphology and verified its performance for HER. During cyclic polarization, exotic morphological transformation of Ni-3 S-2-Ni from nanosheets to nanodisks has been noted. This change is accompanied with initial increase in over-potential that passed through maxima (similar to 100mV above the starting potential) and decreased to similar to 50mV below the starting value. Enhanced electrocatalytic activity due to the morphological changes from sheets to nanodisks has been attributed to the formation of more number of exposed edge-planes known to promote HER. Kinetic analysis based on Tafel slope displayed by this composite is comparable to that of Pt based catalysts.}, doi = {10.1002/slct.201601567}, author = {Busupalli, Balanagulu and Battu, Shateesh and Haram, Santosh K. and Bhagavatula L. V. Prasad} } @article {42908, title = {In situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {FEB}, pages = {23508-23517}, abstract = {
In situ synthesis of the orthorhombic Bi2S3 nanowires decorated with hexagonal CdS nanoparticles (nano-heterostructure) has been demonstrated by a facile solvothermal method. The tiny 5-7 nm CdS spherical nanoparticles are decorated on the surfaces of 30-40 nm Bi2S3 nanowires, successfully. Structural, morphological and optical studies clearly show the existence of CdS on the nanowires. A possible sequential deposition growth mechanism is proposed on the basis of experimental results to reveal the formation of the nano heterostructure. The heterostructures have been used as a photocatalyst for hydrogen production as well as degradation of methylene blue under solar light. The maximum hydrogen evolution i.e. 4560 and 2340 mu mol h(-1) 0.5 g was obtained from H2S splitting and glycerol degradation for Bi2S3 NWs decorated with CdS nanoparticles (nano-heterostructure) which is higher than that of the Bi2S3 NWs (3000 and 1170 mu mol h(-1) 0.5 g, respectively). The enhanced photocatalytical hydrogen evolution efficiency of the heterostructures is mainly attributed to its nanostructure. In the nano heterostructure, the CdS nanoparticles control the charge carrier transition, recombination, and separation, while the Bi2S3 nanowire serves as a support for the CdS nanoparticles. The photogenerated electron{\textquoteright}s migration is faster than the holes from the inside of a CdS nanoparticle to its surface or to the phase interface, resulting in a relatively higher hole density inside the CdS nanoparticle leaving electron density at surface of the Bi2S3 NWs. This influences the photocatalytic activity under solar light. Such nano-heterostructures may have potential in other photocatalytic reactions.
}, author = {Panmand, Rajendra P. and Sethi, Yogesh A. and Deokar, Rajashree S. and Late, Dattatray J. and Gholap, Haribhau M. and Baeg, Jin-Ook and Kale, Bharat B.} } @article {42944, title = {In vitro and ex vivo antitubercular activity of diarylheptanoids from the rhizomes of alpinia officinarum hance}, journal = {Natural Product Research}, volume = {30}, year = {2016}, month = {MAR}, pages = {2825-2830}, abstract = {
Phytochemical investigation of methanol extract of the rhizomes of Alpinia officinarum Hance afforded four known diarylheptanoids 1,7-diphenylhept-4-en-3-one (1), 5-hydroxy-1,7-diphenyl-3-heptanone (2), 5-hydroxy-7-(4 {\textquoteright}{\textquoteright}-hydroxy-3 {\textquoteright}{\textquoteright}-methoxyphenyl)-1-phenyl-3-heptanone (3), and 7-(4 {\textquoteright}{\textquoteright}-hydroxy-3 {\textquoteright}{\textquoteright}-methoxyphenyl)-1-phenyl heptan-3-one (4).The acetate derivative of (4), 7-(4 {\textquoteright}{\textquoteright}-actetate-3 {\textquoteright}{\textquoteright}-methoxy phenyl)-1-phenyl heptan-3-one (5), was prepared. These diarylheptanoids exhibited promising in vitro and ex vivo antitubercular activity for the first time against dormant Mycobacterium tuberculosis H37Ra with the IC50 values between 0.3447.69 and 0.1322.91 mu M, respectively. All compounds showed comparable activity against Mycobacterium bovis BCG (dormant phage) and did not show any activity against two gram + ve and two gram -ve bacterial strains. These compounds were also weakly cytotoxic up to 300 mu M against three human cancer cell lines THP-1, Panc-1 and A549.
}, doi = {10.1080/14786419.2016.1149702}, author = {Honmore, Varsha S. and Rojatkar, Supada R. and Nawale, Laxman U. and Arkile, Manisha A. and Khedkar, Vijay M. and Natu, Arun D. and Sarkar, Dhiman} } @article { ISI:000375647900005, title = {Incorporation of rigid polyaromatic groups in polybenzimidazole-based polymeric ionic liquids: assertive effects on gas permeation properties}, journal = {Polymer}, volume = {93}, year = {2016}, month = {JUN}, pages = {30-36}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Polymeric ionic liquids (PILs) have emerged as promising membrane materials for CO2 separation. The present work is aimed at investigating the effects of incorporation of rigid polyaromatic hydrocarbons, viz., pyrene and anthracene, in polybenzimidazole-based PILs. The effects of substituent and anion variation on the gas permeation properties of PILs using pure gases were examined at 20 atm upstream pressure. The results were correlated with physical properties of PILs. The pyrene substituted PIL exhibited similar to 10 fold increase in CO2 permeability as compared to its precursor polymer PBI-BuI. The combination of a CO2 specific anion and bulky group substitution offered higher CO2 permeability as well as appreciable permselectivity than their structural analogue that was devoid of IL functionality. The permeation properties of present PILs were superior to those of conventional glassy polymers such as polysulfone, matrimid and polycarbonate which are widely studied for their gas permeation properties. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Gas permeation, membranes, Polymeric ionic liquids}, issn = {0032-3861}, doi = {10.1016/j.polymer.2016.03.093}, author = {Shaligram, Sayali V. and Rewar, Anita S. and Wadgaonkar, Prakash P. and Kharul, Ulhas K.} } @book {45861, title = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {1-756}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {Industrial Catalytic Processes for Fine and Specialty Chemicals provides a comprehensive methodology and state-of-the art toolbox for industrial catalysis. The book begins by introducing the reader to the interesting, challenging, and important field of catalysis and catalytic processes. The fundamentals of catalysis and catalytic processes are fully covered before delving into the important industrial applications of catalysis and catalytic processes, with an emphasis on green and sustainable technologies. Several case studies illustrate new and sustainable ways of designing catalysts and catalytic processes. The intended audience of the book includes researchers in academia and industry, as well as chemical engineers, process development chemists, and technologists working in chemical industries and industrial research laboratories. Discusses the fundamentals of catalytic processes, catalyst preparation and characterization, and reaction engineering Outlines the homogeneous catalytic processes as they apply to specialty chemicals Introduces industrial catalysis and catalytic processes for fine chemicals Includes a number of case studies to demonstrate the various processes and methods for designing green catalysts.}, issn = {978-012801457-8}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85011771021\&origin=inward\&txGid=7c8f7f226127f1f797c566d20e205f17}, author = {Joshi, S. S. and Ranade, V. V.} } @article {43424, title = {Industrial wastewater treatment for fertilizer industry a case study}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {DEC}, pages = {27934-27944}, abstract = {Wastewaters from chemical fertilizer industry mainly contain organics, alcohols, ammonia, nitrates, phosphorous, heavy metals such as cadmium and suspended solids. The nature of effluent streams varies in terms of its constituents and complexity. The present work attempts to fill the void in the literature that mostly reports synthetic wastewater treatment studies, by evaluating effluent treatment solutions and comparison of different methods for real wastewaters from the fertilizer industry. An attempt has been made to devise suitable methodology mainly using a new device in the form of vortex diode for hydrodynamic cavitation and also using adsorption, for several real wastewater streams from different locations in one major fertilizer industry of Maharashtra, India. The strategy involved characterization of wastewaters, studies on the effective removal of chemical oxygen demand (COD) and devising solutions for effective reduction in ammoniacal nitrogena more serious issue in the fertilizer industry. The characterization of wastewaters from different streams revealed huge variation in COD from 50 to 140,000ppm and ammoniacal nitrogen from 6 to 1,700ppm. Some effluent streams contained alcohol up to 5\%. Hydrodynamic cavitation using vortex diode and adsorption with modified carbons were used to treat these streams. Cavitation studies were carried out on a pilot plant and the effect of pressure drop, cavitating device and process intensification were studied. It was observed that the effluent treatment strategy requires careful identification and application of suitable treatment method on the basis of the nature of the effluent. Also, hydrodynamic cavitation, using vortex diode appears to be techno-economically attractive option in treating fertilizer wastewaters giving a very high reduction in COD and ammoniacal nitrogen (up to 85\%), similar to adsorption. The results clearly identify potential of newer methodologies in the treatment of effluents in the fertilizer industry.}, doi = {10.1080/19443994.2016.1186399}, author = {Bhandari, Vinay M. and Sorokhaibam, Laxmi Gayatri and Ranade, Vivek V.} } @article {43419, title = {Influence of carbon and phosphorus doping on electronic properties of ZnO}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {27}, year = {2016}, month = {DEC}, pages = {12318-12322}, abstract = {ZnO is one of the most promising candidate for photoelectrochemical splitting of water for hydrogen production. To increase the efficiency of ZnO based photoelectrochemical cell, its band-gap and band edges should be tailored to match visible light spectra and water redox potential respectively. In this paper, First-principles density functional theory calculations have been performed to evaluate the effect of non-metal dopants on electronic properties of ZnO. The model structures of X-doped ZnO were constructed using 32-atom 2 x 2 x 2 supercell of wurtzite ZnO with one O atom replaced with X (carbon C, phosphorus P). With respect to the electronic band structure, C (2p), P (3p) states are located above the valence band maximum of ZnO and mixing of these states is feeble to produce significant band gap narrowing. Doping of these non-metals dopants helps in the creation of isolated states which enhances visible light absorption of ZnO. Our theoretical calculations are consistent with the experimental results of C (P) doped ZnO and fully explains its visible light activity on non-metal doping.}, doi = {10.1007/s10854-016-5192-z}, author = {Sharma, Vidhika and Prasad, Mohit and Jadkar, Sandesh and Pal, Sourav} } @article { ISI:000372562000005, title = {Influence of ionic liquids on thermodynamics of small molecule DNA interaction: the binding of ethidium bromide to calf thymus DNA}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {10}, year = {2016}, month = {MAR}, pages = {2691-2700}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Ionic liquids (ILs) are salts with poor ionic coordination, resultantly remaining in liquid state below 100 degrees C and some may retain liquid state even at room temperature. ILs are known to provide a conducive environment for many biological enzymatic reactions, but their interaction with biomacromolecules are poorly understood. In the present study, we investigate the effect of various ionic liquids on DNA small molecule interaction using calf thymus DNA (ctDNA) ethidium bromide (EB) as a model system. The effect of various ionic liquids on these interactions is studied by an array of techniques such as circular dichroism (CD), UV melting, fluorescence exclusion and isothermal titration calorimetry. Interestingly, we observed that presence of IL increased the stability of ctDNA without altering its structure. The binding affinities Kbs for EB binding to ctDNA in the presence of 300 mM ILs are about half order of magnitude smaller than the Kbs in absence of ILs and correspond to a less favorable free energy. We noted that, when adjusted to corresponding buffer condition, the unfavorable shift in AG of ctDNA-EB interaction is attributed to decreased entropy in the case of ILs, whereas the same effect by NaCI was due to increased enthalpy.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b11823}, author = {Mishra, Arpit and Ekka, Mary Krishna and Maiti, Souvik} } @article {45862, title = {Influence of kinetic and thermodynamic promoters on post-combustion carbon dioxide capture through gas hydrate crystallization}, journal = {Journal of environmental chemical engineering}, volume = {4}, year = {2016}, month = {JUN}, pages = {1955-1961}, type = {Article}, abstract = {In the present work, we report enhanced kinetics of hydrate formation in the presence of kinetic and thermodynamic promoters, SDS (sodium dodecyl sulphate) and THF (tetrahydrofuran) respectively. Hydrate formation was carried out in a fixed bed reactor for post-combustion capture of CO2. Silica sand was used as a fixed bed medium to capture CO2 from a CO2/N2/SO2 (17.7 mol\% CO2, 1.05 mol\% SO2 and balance N2) gas mixture by hydrate crystallisation. Experiments were performed at a constant temperature (273.65 K) and at different pressures (9.5 and 2.45 MPa) in batch mode. It was found that the addition of SDS enhances the rate and gas uptake of gas hydrate formation. A higher gas consumption was achieved by using 5.56 mol\% THF compared to 1.0 and 3.0 mol\% THF. }, doi = {10.1016/j.jece.2016.03.021}, author = {Kumar, A. and Bhattacharjee, G. and Barmecha, V. and Diwan, S. and Kushwaha, O. S.} } @article {45641, title = {Inhibition of miR-21 by 3 {\textquoteleft}/5 {\textquoteleft}-serinyl-capped 2 {\textquoteleft}-O-Methyl RNA Interspersed with 2 {\textquoteleft}-O-(2-Amino-3-Methoxypropyl) uridine units}, journal = {Nucleic Acid Therapeutics}, volume = {26}, year = {2016}, month = {OCT}, pages = {327-334}, type = {Article}, abstract = {
miRNAs are highly conserved class of small ncRNAs whose involvement in human pathophysiologies is extensively investigated. MiR-21 is a well established oncogenic miRNA whose deregulation plays a significant role in onset and progression of cancer. The need of novel approaches to downregulate miR-21 is rapidly expanding. Potent inhibition of miR-21 is achieved by chemically modified 2-O-methyl RNA oligonucleotide. The serinol capping at 3 and 5ends and the interspersed 2-O-(R-2-amino-3-methoxypropyl) uridine units enhance the nuclease resistance and efficacy of 2-O-methyl RNA for the inhibition of miR-21. This represents a simple and novel modification for developing oligonucleotide-based therapeutics.
}, keywords = {antagomirs, cancer, microRNA, noncoding RNA, oligonucleotides}, issn = {2159-3337}, doi = {10.1089/nat.2015.0591}, author = {Nahar, Smita and Kotikam, Venubabu and Kumar, Vaijayanti A. and Maiti, Souvik} } @article {43599, title = {Inhibition of quorum-sensing-mediated biofilm formation in Cronobacter sakazakii strains}, journal = {Microbiology-SGM}, volume = {162}, year = {2016}, month = {SEP}, pages = {1708-1714}, abstract = {The present study investigated plant extracts for their anti-quorum-sensing (QS) potential to inhibit the biofilm formation in Cronobacter sakazakii strains. The bioassay based on loss of pigment production by Chromobacterium violaceum 026 and Agrobacterium tumefaciens NTL4 (pZLR4) was used for initial screening of the extracts. Further, the effect of extracts on the inhibition of QS-mediated biofilm in C. sakazakii isolates was evaluated using standard crystal violet assay. The effect on biofilm texture was studied using SYTO9 staining and light and scanning electron microscopy. Among the tested extracts, Piper nigrum and Cinnamomum verum at 100 ppm resulted in 78 and 68\% reduction in the production of violacein as well as blue-green colour in both biosensor strains. A higher inhibitory activity (>50 \%) on biofilm formation in C. sakazakii was observed for Pip. nigrum and Cin. verum, whereas the other extracts possessed moderate (25-50 \%) and minimal (<25 \%) inhibitory activities. Further, the fluorescent and scanning electron microscopic images indicated a major disruption in the architecture of biofilms of tested strains by Pip. nigrum. This study points to the possibility of using Pip. nigrum and Cin. verum as inhibitor of QS-mediated biofilm formation by C. sakazakii that could be further explored for novel bioactive molecules to limit the emerging infections of C. sakazakii}, doi = {10.1099/mic.0.000342}, author = {Singh, Niharika and Patil, Amrita and Prabhune, Asmita and Goel, Gunjan} } @article { ISI:000373419900016, title = {Intensification of degradation of methomyl (carbamate group pesticide) by using the combination of ultrasonic cavitation and process intensifying additives}, journal = {Ultrasonics Sonochemistry}, volume = {31}, year = {2016}, month = {JUL}, pages = {135-142}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
In the present work, the degradation of methomyl has been carried out by using the ultrasound cavitation (US) and its combination with H2O2, Fenton and photo-Fenton process. The study of effect of operating pH and ultrasound power density has indicated that maximum extent of degradation of 28.57\% could be obtained at the optimal pH of 2.5 and power density of 0.155 W/mL. Application of US in combination with H2O2, Fenton and photo-Fenton process has further accelerated the rate of degradation of methomyl with complete degradation of methomyl in 27 min, 18 min and 9 min respectively. Mineralization study has proved that a combination of US and photo -Fenton process is the most effective process with maximum extent of mineralization of 78.8\%. Comparison of energy efficiency and cost effectiveness of various processes has indicated that the electrical cost of 79892.34 Rs./m(3) for ultrasonic degradation of methomyl has drastically reduced to 2277.00 Rs./m(3), 1518.00 Rs./m(3) and 807.58 Rs./m(3) by using US in combination with H2O2, Fenton and photo-Fenton process respectively. The cost analysis has also indicated that the combination of US and photo-Fenton process is the most energy efficient and cost effective process. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Fenton, Hydrogen peroxide, Methomyl, Photo-Fenton, Synergistic coefficient, Ultrasound cavitation}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2015.12.015}, author = {Raut-Jadhav, Sunita and Pinjari, Dipak V. and Saini, Daulat R. and Sonawane, Shirish H. and Pandit, Aniruddha B.} } @article { ISI:000381924900029, title = {Interfacial precipitation and clogging in straight capillaries}, journal = {Chemical Engineering Science}, volume = {153}, year = {2016}, month = {OCT}, pages = {344-353}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Clogging of straight capillaries during interfacial precipitation (of common salt from saturated salt solution and acetone) was studied for a range of conditions that result in different flow regimes. The particle formation and clogging was explored using the images obtained by tracking a moving slug in real time. The flow regimes varied along the capillary length due to continuous mass transfer of acetone to water resulting in elongation of continuous phase slugs. In the slug flow regime, the precipitated particles formed solid shells/hemi spherical caps at the rear of acetone slugs, which eventually get detached from the interface. In the wavy parallel flow regime, where the interface is not flat, salting out was almost instantaneous and it led to faster clogging of the channels. Smaller Ca, i.e. lower flow rates or the use of smaller capillary length or using continuous fluid of relatively higher viscosity or lower interfacial tension can help to avoid or delay clogging. Formation of cohesive shells at the rear of a slug delayed clogging in the capillaries by delaying settling of individual particles. Parallel flow regime with a flat interface delayed the clogging significantly due to poor mass transfer as well as higher superficial velocities. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Clogging time, Flow regime, Interfacial precipitation, Micro-capillary, Porous shells, slug flow}, issn = {0009-2509}, doi = {10.1016/j.ces.2016.07.012}, author = {Pal, Sayan and Kulkarni, Amol A.} } @article { ISI:000367840900002, title = {Interfacial tension approach toward drug loading with two-dimensional crosslinked polymer embedded gold: adsorption kinetics evaluation}, journal = {International Journal Of Polymeric Materials And Polymeric Biomaterials}, volume = {65}, number = {4}, year = {2016}, month = {JAN}, pages = {168-175}, publisher = {TAYLOR \& FRANCIS AS}, address = {KARL JOHANS GATE 5, NO-0154 OSLO, NORWAY}, abstract = {
Interfacial tension of drugs with hydrophilic polymer (A) embedded gold resulting into selective drug adsorption, which also affected the drug adsorption kinetics. Two-dimensional crosslinked polymer embedded gold was synthesized for drug loading application in an acidic buffer. Lower interfacial tension of pantoprazole sodium (B) revealed the exponential loading inversely loading was gradual for chloroquine (C) having more interfacial tension with adsorbent. Initial 2 h was the exponential adsorption period for a pantoprazole sodium whereas exponential adsorption begins after 12 h for a chloroquine. Monolayer drug adsorption was obtained because Langmuir adsorption isotherm was obeyed by both drugs. Moreover, pseudo first-and pseudo second-order kinetics was also evaluated which demonstrated that reactive sites of the adsorbent are homogeneous and drug adsorption mechanism is chemisorption and not the physisorption. Thermal analysis was evaluated to confirm the polymer thermostability and glass transition temperature during catalytic applications in thermal reactions.
}, keywords = {Adsorption isotherm, adsorption kinetics, drug loading, drug polarity, Interfacial tension}, issn = {0091-4037}, doi = {10.1080/00914037.2015.1074911}, author = {Mane, Sachin and Ponrathnam, Surendra and Chavan, Nayaku} } @article { ISI:000371852000031, title = {Interplaying intrinsic and extrinsic proton conductivities in covalent organic frameworks}, journal = {Chemistry of Materials}, volume = {28}, number = {5}, year = {2016}, month = {MAR}, pages = {1489-1494}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A sulfonic-acid-based covalent organic framework (TpPa-SO3H) has been synthesized that exhibits intrinsic proton conductivity under anhydrous conditions. The sulfonic acid groups are aligned on the two-dimensional (2D) layers at periodic intervals and promote the proton hopping inside the hexagonal one-dimensional channel. The intrinsic proton conductivity of TpPa-SO3H was measured as 1.7 X 10(-5) S cm(-1) at 120 degrees C under anhydrous conditions. To enhance the proton conductivity, we have synthesized a hybrid COF TpPa(SO3H-Py) by a ligand-based solid-solution approach that contains sulfonic acid as the acidic site, as well as pyridine as the basic site, in order to immobilize acidic proton carrier molecules. Impregnation of phytic acid molecules inside the framework increases the anhydrous proton conductivity up to 5 x 10(-4) S cm(-1) at 120 degrees C. Such an approach highlights the advantage and first-time use of hybrid COF for interplaying intrinsic to extrinsic proton conductivity.
}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b04947}, author = {Chandra, Suman and Kundu, Tanay and Dey, Kaushik and Addicoat, Matthew A. and Heine, Thomas and Banerjee, Rahul} } @article { ISI:000379456500042, title = {Intramolecular dehydrogenative coupling of 2,3-diaryl acrylic compounds: access to substituted phenanthrenes}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {13}, year = {2016}, month = {JUL}, pages = {5663-5669}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A simple, facile, and environmentally benign intramolecular dehydrogenative coupling of various 1,2-diarylethylenes for the synthesis of phenanthrenes in excellent yield has been described. This new methodology uses ceric ammonium nitrate (CAN) as a promoter at room temperature and has been extended to intermolecular synthesis of biaryl compounds. The electron transfer from methoxyarene to cerium leads to cationic radical formation, which further proceeds to intramolecular coupling. Preliminary mechanistic investigation by EPR spectroscopy and density functional theory calculation suggested a similar view.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.6b00507}, author = {Gupta, Vijay and Rao, V. U. Bhaskara and Das, Tamal and Vanka, Kumar and Singh, Ravi P.} } @article { ISI:000367940900010, title = {Inverse high internal phase emulsion polymerization (i-HIPE) of GMMA, HEMA and GDMA for the preparation of superporous hydrogels as a tissue engineering scaffold}, journal = {Journal of Materials Chemistry B}, volume = {4}, number = {3}, year = {2016}, month = {NOV}, pages = {450-460}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A series of novel superporous hydrogels for regenerative medicine were prepared by oil-in-water (o/w) or inverse high internal phase emulsion (i-HIPE) copolymerization of glycerol monomethacrylate (GMMA), 2-hydroxy ethyl methacrylate (HEMA) and glycerol dimethacrylate (GDMA) as a cross-linker using a non toxic solvent and a redox initiator system at the physiological temperature (37 degrees C). The monomer GMMA was synthesized from glycidyl methacrylate (GMA) by an alternative facile method using Amberlyst-15. The described i-HIPEs showed a significantly wider stability window. The polyHIPE hydrogels were characterized by FTIR, BET method for surface area, mercury porosimetry, SEM, DSC, TGA, XRD, compressive strain and strain recovery. The swelling ratio of the hydrogels and their degradation in 0.007 M NaOH and lipase B (Candida antarctica) solutions were determined gravimetrically and the rate of degradation was explained in terms of the molecular structure of the hydrogels. The morphological studies showed that the pore diameter varied between 20 and 30 mu m and the pore throats (interconnecting windows) diameter was in the range of 4-8 mu m. The described polyHIPE hydrogels were found to have an open cell morphology and interconnected pore architecture, which are important characteristics for scaffold applications. The initial cytotoxicity study performed according to ISO-10993-5 indicated cytocompatibility (97\% cell viability) and the subsequent cell seeding and proliferation study exhibited 55-88\% cell viability (increased monotonously from GHG-1 to GHG-5), which could be attributed to modulation of the physical and chemical properties of the hydrogels. The described super porous hydrogels are considered as potential candidates for scaffold materials in tissue engineering applications.
}, issn = {2050-750X}, doi = {10.1039/c5tb01873k}, author = {Nalawade, Archana C. and Ghorpade, Ravindra V. and Shadbar, Sadiqua and Qureshi, Mohammed Shadbar and Chavan, Nayaku and Khan, Ayesha A. and Ponrathnam, S.} } @article {43618, title = {Inverse problem studies of biochemical systems with structure identification of S-systems by embedding training functions in a genetic algorithm}, journal = {Mathematical Biosciences}, volume = {275}, year = {2016}, month = {MAY}, pages = {93-106}, abstract = {An efficient inverse problem approach for parameter estimation, state and structure identification from dynamic data by embedding training functions in a genetic algorithm methodology (ETFGA) is proposed for nonlinear dynamical biosystems using S-system canonical models. Use of multiple shooting and decomposition approach as training functions has been shown for handling of noisy datasets and computational efficiency in studying the inverse problem. The advantages of the methodology are brought out systematically by studying it for three biochemical model systems of interest. By studying a small-scale gene regulatory system described by a S-system model, the first example demonstrates the use of ETFGA for the multifold aims of the inverse problem. The estimation of a large number of parameters with simultaneous state and network identification is shown by training a generalized S-system canonical model with noisy datasets. The results of this study bring out the superior performance of ETFGA on comparison with other metaheuristic approaches. The second example studies the regulation of cAMP oscillations in Dictyostelium cells now assuming limited availability of noisy data. Here, flexibility of the approach to incorporate partial system information in the identification process is shown and its effect on accuracy and predictive ability of the estimated model are studied. The third example studies the phenomenological toy model of the regulation of circadian oscillations in Drosophila that follows rate laws different from S-system power-law. For the limited noisy data, using a priori information about properties of the system, we could estimate an alternate S-system model that showed robust oscillatory behavior with predictive abilities. (C) 2016 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.mbs.2016.02.014}, author = {Sarode, Ketan Dinkar and Kumar, V. Ravi and Kulkarni, B. D.} } @article {43032, title = {Investigation of microbial diversity in geothermal hot springs in Unkeshwar, India, based on 16S rRNA amplicon metagenome sequencing}, journal = {Genome Announcements}, volume = {4}, year = {2016}, month = {FEB}, abstract = {
Microbial diversity in geothermal waters of the Unkeshwar hot springs in Maharashtra, India, was studied using 16S rRNA amplicon metagenomic sequencing. Taxonomic analysis revealed the presence of Bacteroidetes , Proteobacteria , Cyanobacteria , Actinobacteria , Archeae , and OD1 phyla. Metabolic function prediction analysis indicated a battery of biological information systems indicating rich and novel microbial diversity, with potential biotechnological applications in this niche.
}, doi = {10.1128/genomeA.01766-15}, author = {Mehetre, Gajanan T. and Paranjpe, Aditi and Dastager, Syed Gulam and Dharne, Mahesh S.} } @inbook {45863, title = {Ion exchange resin catalyzed reactions-An overview}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {393-426}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {This chapter gives an overview of ion exchange resins as catalyst for a variety of reactions. Emphasis is placed on the use of resin as a catalyst rather than on reactions. Various aspects of resin catalysis, such as types of reactions where resin can be used, the physical form of resin and activity, and issues pertaining to its application as a catalyst are discussed. Advantages and disadvantages of resins as catalyst for different types of reactions are highlighted. Aspects like reactor configurations, selection of resin, process integration, process separations and the environmental impact of using resins as catalysts are also included. Possible future developments in the ion exchange catalysis area are also highlighted.}, issn = {978-012801457-8}, doi = {10.1016/B978-0-12-801457-8.00009-4}, author = {Bhandari, V. M. and Sorokhaibam, L. G. and Ranade, V. V.} } @article { ISI:000379438200023, title = {Ionic liquids catalyzed lignin liquefaction: mechanistic studies using TPO-MS, FT-IR, RAMAN and 1D, 2D-HSQC/NOSEY NMR}, journal = {Green Chemistry}, volume = {18}, number = {14}, year = {2016}, month = {APR}, pages = {4098-4108}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Valorization of a profusely available alternate resource, biomass and in particular its 3-D intricate component lignin into low molecular weight aromatic products are used as platform chemicals and fuel additives, and developing a low temperature catalytic process is imperative in preserving atom efficiency. Ionic liquids, due to their unique properties, offer an advantage to develop such methods under milder conditions. Herein, we show use of -SO3H functionalized imidazolium based various recyclable Bronsted acidic ionic liquids (BAILs) in catalytic quantity under ambient pressure at 120 degrees C for depolymerization of lignin (60 000 g mol(-1)) into THF soluble products with high efficiency (78\% yield, 95\% +/- 5\% mass balance). The decoding of this efficiency by 1D and 2D (HSQC/NOSEY) NMR, FT-IR and RAMAN studies exemplify that the -OH group(s) interact with the electron deficient BAIL cation. The mechanistic insights unraveled in this study open a plethora of opportunities to design catalysts for developing efficient processes.
}, issn = {1463-9262}, doi = {10.1039/c6gc00771f}, author = {Singh, Sandip K. and Dhepe, Paresh Laxmikant} } @article { ISI:000378303400010, title = {Ir(III)-catalyzed carbenoid functionalization of benzamides: synthesis of N-methoxyisoquinolinediones and N-methoxyisoquinolinones}, journal = {Organic Letters}, volume = {18}, number = {12}, year = {2016}, month = {JUN}, pages = {2828-2831}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A mild and efficient Ir(III)-catalyzed C-H carbenoid functionalization strategy has been developed to access. N-methoxyisoquinolinediones and N-methoxyisoquinolinones. The reaction proceeds efficiently in high yield at room temperature over a broad range of substrates without requirement of any additional oxidants or a base.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01072}, author = {Phatake, Ravindra S. and Patel, Pitambar and Ramana, Chepuri V.} } @article { ISI:000368563200037, title = {Ir(III)-catalyzed synthesis of isoquinoline N-oxides from aryloxime and alpha-diazocarbonyl compounds}, journal = {Organic Letters}, volume = {18}, number = {2}, year = {2016}, month = {JAN}, pages = {292-295}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An efficient Ir(III)-catalyzed C-H activation and annulations of aryloxime with a-diazocarbonyl compounds has been developed for the synthesis of substituted isoquinoline N-oxides. The reaction proceeds under mild atmospheric conditions, without any external oxidants and releases N-2 and H2O as the byproducts. In addition, synthetic applications of the N-oxide products have been established by performing further functionalization. An interesting dimeric iridacyclic complex allied through a bis-silver carboxylate bridge has been isolated that efficiently catalyzed the reaction.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b03462}, author = {Phatake, Ravindra S. and Patel, Pitambar and Ramana, Chepuri V.} } @article { ISI:000372676800002, title = {Isolates of alpinia officinarum hance as COX-2 inhibitors: evidence from anti-inflammatory, antioxidant and molecular docking studies}, journal = {International Immunopharmacology}, volume = {33}, year = {2016}, month = {APR}, pages = {8-17}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Background: Inflammation triggered by oxidative stress can cause various ailments, such as cancer, rheumatoid arthritis, asthma, diabetes etc. In the last few years, there has been a renewed interest in studying the antioxidant and anti-inflammatory action of plant constituents such as flavonoids and diarylheptanoids. Aim: To evaluate the antioxidant, anti-inflammatory activity and the total phenolic content of isolated compounds from Alpinia officinarum rhizomes. Furthermore, molecular docking was performed to study the binding mode of these compounds into the active site of cyclooxygenase-2 (COX -2). Methods: A. officinarum rhizomes were extracted by maceration, using methanol. This extract was further fractionated by partitioning with hexane, chloroform and ethyl acetate and these fractions on further purification resulted in isolation of five pure compounds. Characterization was carried out by using H-1 NMR, C-13 NMR and MS. They were further evaluated for antioxidant and anti-inflammatory activity using carrageenan-induced paw edema model in rats. Molecular docking study was performed using Glide module integrated in Schrodinger molecular modeling software. Results: The compounds were identified as 1,7-diphenylhept-4-en-3-one (1), 5-hydroxy-1,7-diphenyl-3-heptanone (2), 3,5,7-trihydroxyflavone (Galangin, 3), 3,5,7-trihydroxy-4{\textquoteright}-methoxyflavone (Kaempferide, 4) and 5-hydroxy-7-(4 {\textquoteleft}{\textquoteright}-hydroxy-3 {\textquoteleft}{\textquoteright}-methoxyphenyl)-1-phenyl-3-heptanone (5). The compound-3 and compound-5 (10 mg/kg) showed significant (p \< 0.001) antioxidant and anti-inflammatory potential. Moreover, total phenolic content was detected as 72.96 mg and 51.18 mg gallic acid equivalent respectively. All the five isolates were found to be good binders with COX-2 (average docking score -9.03). Conclusions: Galangin and 5-hydroxy-7-(4 {\textquoteleft}{\textquoteright}-hydroxy-3 {\textquoteleft}{\textquoteright}-methoxyphenyl)-1-phenyl-3-heptanone exhibited anti-inflammatory and in-vitro antioxidant activity which may be due to presence of phenolic content in it. The molecular docking study revealed that these compounds have affinity towards COX-2 active site which can further be explored as selective COX-2 inhibitors. The results obtained in this work justify the use of A. officinarum in the treatment of inflammatory disorders like rheumatoid arthritis and inflammatory bowel diseases. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {5-Hydroxy-7-(4 {\textquoteleft}{\textquoteright}-hydroxy-3 {\textquoteleft}{\textquoteright}-methoxyphenyl)-1-phenyl-3-heptanone, Alpinia officinarum, Anti-inflammatory, Antioxidant, COX-2 inhibitors, Galangin}, issn = {1567-5769}, doi = {10.1016/j.intimp.2016.01.024}, author = {Honmore, Varsha S. and Kandhare, Amit D. and Kadam, Parag P. and Khedkar, Vijay M. and Sarkar, Dhiman and Bodhankar, Subhash L. and Zanwar, Anand A. and Rojatkar, Supada R. and Natu, Arun D.} } @article { ISI:000381328300009, title = {Isolation and characterization of new lignin streams derived from extractive-ammonia (EA) pretreatment}, journal = {Green Chemistry}, volume = {18}, number = {15}, year = {2016}, month = {AUG}, pages = {4205-4215}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
One of the key challenges facing lignin conversion to fuels and chemicals is related to the level of carbohydrate and ash impurities found in extracted lignin. Structural modifications of lignin may also occur as a result of biomass pretreatment and harsh lignin extraction protocols. Extractive-Ammonia (EA) is a new pretreatment technology that uses liquid ammonia to cleave lignin-carbohydrate complexes, decrystallize cellulose, solubilize lignin, and selectively extract Lignin from lignocellulosic biomass, enabling better utilization of both lignin and carbohydrate components in a biorefinery. The EA-based biorefinery produces two different lignin-rich streams, with different properties, that could potentially be upgraded to fuels and chemicals using green processes. In this work, a water/ethanol-based fractionation method was developed to enrich the ammonia-soluble extractives, resulting in a major product stream containing 92\% lignin. Detailed characterization of the various streams resulting from EA treatment, including compositional analysis, structural characterization by nuclear magnetic resonance (NMR) spectrometry, elemental analysis, molecular weight analysis, and thermo-gravimetric analysis provides a broad evaluation of the EA derived lignin product stream structures and properties, assessing their potential for commercial applications. In summary, EA-derived lignins preserve much of lignin{\textquoteright}s functionality, including the sensitive (3-aryl ether units. Nitrogen incorporation was observed in the lignin-rich streams, notably due to the presence of hydroxycinnamoyl amides formed during ammonia pretreatment.
}, issn = {1463-9262}, doi = {10.1039/c6gc00298f}, author = {Sousa, Leonardo da Costa and Foston, Marcus and Bokade, Vijay V. and Azarpira, Ali and Lu, Fachuang and Ragauskas, Arthur J. and Ralph, John and Dale, Bruce E. and Balan, Venkatesh} } @article {45864, title = {Isolation and virtual screening of antimicrobial prodigiosin pigment from oxalotrophic Serratia marcescens OX_R strain}, journal = {Journal of Applied Pharmaceutical Science}, volume = {6}, year = {2016}, month = {NOV}, pages = {052-058}, type = {Article}, abstract = {Prodigiosin a multifaceted secondary metabolite produced by Serratia spp. having great potential as a pharmaceutical. In the present study we demonstrate that oxalate supplementation in peptone glycerol production media increased organoleptic characters and yield of prodigiosin pigment extracted from oxalotrophic Serratia marcescens OX_R isolated from Indian bat guano sample. The pigment was demonstrated in-vitro as an antibacterial agent against common opportunistic skin surface pathogen Staphylococcus aureus NCIM 5021 strain as killing activity by agar well diffusion method. The docking analysis and pharmacophore modelling indicated that the probable mechanism of action of the prodigiosin was against Staphylococcus aureus DNA gyrase protein. The pigment was also found to efficiently dye both cotton and latex polymer. In summary, we describe here an oxalotrophic Serratia marcescens which may serve as a potent and economical resource of prodigiosin which owing to its dyeing and anti-bacterial activities finds future avenues to be developed as dressing material for nosocomial subjects or burn victim patients.}, doi = {10.7324/JAPS.2016.601108}, author = {Suryavanshi, M. V. and Waghmode, S. R. and Bharti, N. and Choudhari, P. B. and Hingamire, T. B. and Shouche, Y. S.} } @article {42932, title = {Isolation of lignin by organosolv process from different varieties of rice husk: Understanding their physical and chemical properties}, journal = {Bioresource Technology}, volume = {221}, year = {2016}, month = {SEP}, pages = {310{\textendash}317}, doi = {10.1016/j.biortech.2016.09.042}, author = {Singh, Sandip K. and Dhepe, Paresh Laxmikant} } @article {42557, title = {Isothermal titration calorimetric study of the ionic liquid solutions in alcohols in extreme dilutions: an investigation of ion-solvent interactions}, journal = {Journal of Solution Chemistry}, volume = {45}, year = {2016}, month = {AUG}, pages = {1313{\textendash}1331}, abstract = {
In this work an effort has been made to show the effect of an alcohol-rich environment on imidazolium-based ionic liquids at 298.15 K using an isothermal titration calorimeter. It is divulged from this study that the thermal behavior expressed in terms of excess partial molar enthalpy, \( H_{\text{IL}}^{\text{E}} \), of ionic liquids in various linear alcohols is governed by the increasing hydrophobicity of the residual alkyl group attached to the cation of an ionic liquid and to the alcohol molecules. An interesting observation about the systems consisting of ethylated residuals on both the cations of the ionic liquid and the alcohol molecules is that these systems do not follow the trend exhibited by other ionic liquid{\textendash}alcohol systems. Interesting information on ionic interactions is obtained by using a simple methodology that gives the enthalpic interaction parameter \( H_{{I{\text{L - IL}}}}^{\text{E}} \).
}, keywords = {Ionic liquidsAlcoholsExcess enthalpyIsothermal titration calorimeter}, doi = {10.1007/s10953-016-0502-x}, author = {Rai, Gitanjali and Jain, Preeti and Kumar, Anil} } @article {43393, title = {Kinetic studies on an algal biofilm reactor for raw sewage water treatment}, journal = {Chemical Engineering \& Technology}, volume = {39}, year = {2016}, month = {SEP}, pages = {1629-1635}, abstract = {A packed-bed algae biofilm reactor was developed using porous and nonporous dual packings. The biofilm was cultivated on reticulated polyurethane foam cubes. The nonporous glass Raschig rings were taken as bed support that helps to remove generated gas from the system. The effect of variables such as column length-to-diameter ratio, catalyst cube dimension, and feed flow rate on the treatment of sewage water was studied. The reaction kinetics indicates that the nutrients uptake rate is dependent on both pore and film diffusion. The kinetics of uptake of nutrients follows a pseudo first-order reaction. From the pseudo reaction rate constant, Thiele modulus and effectiveness factor were calculated and a kinetic model equation for fractional nutrient uptake was developed in terms of operating variables. The model can predict the reaction rate with low deviation. The results obtained may be valuable for large-scale treatment of sewage water.}, doi = {10.1002/ceat.201500447}, author = {Gera, Gayatri S. and Yewalkar, Swati N. and Nene, Sanjay and Kulkarni, Bhaskar D. and Kamble, Sanjay P.} } @article { ISI:000369591400061, title = {Large area chemical vapor deposition of monolayer transition metal dichalcogenides and their temperature dependent Raman spectroscopy studies}, journal = {Nanoscale}, volume = {8}, number = {5}, year = {2016}, month = {JAN}, pages = {3008-3018}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We investigate the growth mechanism and temperature dependent Raman spectroscopy of chemical vapor deposited large area monolayer of MoS2, MoSe2, WS2 and WSe2 nanosheets up to 70 mu m in lateral size. Further, our temperature dependent Raman spectroscopy investigation shows that softening of Raman modes as temperature increases from 80 K to 593 K is due to the negative temperature coefficient and anharmonicity. The temperature dependent softening modes of chemical vapor deposited mono-layers of all TMDCs were explained on the basis of a double resonance phonon process which is more active in an atomically thin sample. This process can also be fundamentally pertinent in other emerging two-dimensional layered and heterostructured materials.
}, issn = {2040-3364}, doi = {10.1039/c5nr07401k}, author = {Pawbake, Amit S. and Pawar, Mahendra S. and Jadkar, Sandesh R. and Late, Dattatray J.} } @article {42663, title = {Large reduction in the magnitude and thermal variation of Frank elastic constants in a gold nanorod/nematic composite}, journal = {Journal of Physics D: Applied Physics}, volume = {49}, year = {2016}, month = {SEP}, abstract = {
We report measurements of splay and bend Frank elastic constants in a composite comprising a nematic liquid crystal doped with a small concentration of sterically stabilized gold nanorods. The composite exhibits not only a large reduction in the magnitude of the threshold voltage for switching (Vth, 20\%), as well as of the splay (K11, 40\%) and bend (K33, 40\%) elastic constants, but also presents an unprecedented feature: a substantial diminution in the temperature dependence of these parameters, almost to the point of becoming thermally invariant. This observation is significant because the electro-optic switching of liquid-crystal devices is largely controlled by the K11 and K33 elastic constants. Electrical conductivity measurements also show interesting behavior upon the inclusion of nanorods. Whereas the intrinsic Arrhenius behavior governing the temperature dependence is enhanced, the frequency dependence shows qualitative features of Jonscher{\textquoteright}s universal model, albeit with a higher exponent. Further, photoisomerization of an azobenzene guest component provides an additional influence on the elastic constants. The results are discussed in terms of (a) the effect of the order parameter dependence seen from the viewpoint of an extended mean-field model,and (b) local order. The advantage of incorporating nanorods with photofunctionality is also pointed out.
}, doi = {10.1088/0022-3727/49/42/425304}, author = {Madhuri, P. Lakshmi and Prasad, S.~Krishna and Shinde, Pravin~ and Bhagavatula L. V. Prasad} } @article { ISI:000382349600001, title = {Large trisoctahedral Au nanoparticles encapsulated inside porous silica catalyses CO oxidation at room temperature: probing the effect of encapsulation and the role of step atoms and interfaces}, journal = {Applied Catalysis A-General}, volume = {524}, year = {2016}, month = {AUG}, pages = {1-7}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
As envisaged, a synthesis strategy is reported for encapsulating high index faceted trisoctahedral Au nanoparticles inside porous silica to preserve nanoparticle size by preventing sintering. Further, to probe the role of interfaces an active metal oxide junction was created by decorating trisoctahedral (TOH) Au nanoparticle with nano oxides before silica encapsulation. The activity of these catalysts was tested for CO oxidation reaction. The reaction was found to be facile on these encapsulated large structured Au nanoparticles showing appreciable activity at room temperature compared to non encapsulated counterparts. Apart from preventing sintering, the improved activity is demonstrated due to the retention of morphology and thereby the active centres due to encapsulation. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Defect sites, Encapsulation, High index facets, Metal-oxide active perimeter, Trisoctahedral Au nanoparticles}, issn = {0926-860X}, doi = {10.1016/j.apcata.2016.05.023}, author = {Sreedhala, S. and Maheshwari, Shruti and Betsy, K. J. and Vinod, C. P.} } @article {43625, title = {Laser exfoliation of 2D black phosphorus nanosheets and their application as a field emitter}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {NOV}, pages = {112103-112108}, abstract = {Highly crystalline two dimensional (2D) few layered black phosphorus (BP) nanosheets have been synthesized via a one step facile laser irradiation technique under optimized experimental conditions. The field emission investigations on the few layered black phosphorus nanosheets were carried out at the base pressure 1 x 10(-8) mbar. The morphological, elemental, optical, and structural analysis of the as-synthesized black phosphorus sample was carried out using SEM, AFM, EDAX, TEM, and Raman spectroscopy. The turn-on values of the BP nanosheets emitter were found to be significantly lower than that of earlier reports of BP nanosheets, graphene, and carbon nanotubes based field emitters due to the high field enhancement factor (beta) similar to 2986 associated with atomically thin/sharp edges of the BP nanosheets emitter. The emission current versus time plot depicts the good emission current stability with a pre-set value of 1 mu A for similar to 5 h duration. Our facile synthesis approach and the robust field emitter nature of the BP nanosheets makes them a potential candidate for a practical electron source in vacuum micro/nanoelectronic devices.}, doi = {10.1039/c6ra24526a}, author = {Suryawanshi, Sachin R. and More, Mahendra A. and Late, Dattatray J.} } @article {43575, title = {Laser shielding and thermal ablation characteristics of resorcinol formaldehyde/boronnitride composites for thermal protection systems}, journal = {Industrial \& Engineering Chemistry Research}, volume = {55}, year = {2016}, month = {OCT}, pages = {10645-10655}, abstract = {Resorcinol formaldehyde (RF) composites were modified by incorporating different weight ratios of hexagonal boron nitride (h-BN) through a novel in situ polymerization technique. Temperature modulated SAXS was used to understand the changes in polymer network due to h-BN addition. The ablation performance of RF BN composites was evaluated by pulsed laser and oxyacetylene torch tests. Linear ablation resistance under oxyacetylene conditions improved by 18\%. Laser ablation resistance increased by 44\%. The reasons for improved ablation resistance for RF BN composites were studied using XRD, FTIR, and XPS methods which indicated that h-BN undergoes phase transformation at higher temperatures and also displays typical floral assimilation leading to significant energy consumption. This results in improved ablation resistance. These findings could lead to fabrication of RF BN based thermal protection systems (TPS) having better protection capabilities.}, doi = {10.1021/acs.iecr.6b01443}, author = {Daniel, Alex and Badhe, Yutika and Srikanth, Ivaturi and Gokhale, Suresh and Balasubramanian, Kandasubramanian} } @article {42428, title = {Lewis acid catalyzed selective reactions of donor-acceptor cyclopropanes with 2-naphthols}, journal = {Angewandte Chemie-International Edition}, volume = {55}, year = {2016}, month = {AUG}, pages = {10061-10064}, abstract = {
Lewis acid-catalyzed reactions of 2-substituted cyclopropane 1,1-dicarboxylates with 2-naphthols is reported. The reaction exhibits tunable selectivity depending on the nature of Lewis acid employed and proceed as a dearomatization/rearomatization sequence. With Bi(OTf)(3) as the Lewis acid, a highly selective dehydrative [3+2] cyclopentannulation takes place leading to the formation of naphthalene-fused cyclopentanes. Interestingly, engaging Sc(OTf)(3) as the Lewis acid, a Friedel-Crafts-type addition of 2-naphthols to cyclo-propanes takes place, thus affording functionalized 2-naphthols. Both reactions furnished the target products in high regioselectivity and moderate to high yields.
}, keywords = {annulations; arenes; Lewis acids; reaction mechanisms; small ring systems}, doi = {10.1002/anie.201604373}, author = {Kaicharla, Trinadh and Roy, Tony and Thangaraj, Manikandan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000372981400010, title = {Ligand-free Pd catalyzed cross-coupling reactions in an aqueous hydrotropic medium}, journal = {Green Chemistry}, volume = {18}, number = {7}, year = {2016}, month = {NOV}, pages = {1898-1911}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple, efficient and ligand-free protocol for the Suzuki-Miyaura reaction and base-free Heck-Matsuda reactions under mild reaction conditions have been developed over palladium supported on activated carbon (Pd/C) in an aqueous hydrotropic solution. The catalyst Pd/C was fully characterized by TG-DTA, SEM, EDS, XRD, XPS, BET and ICP-AES analyses. This green methodology represents a cost-effective and operationally convenient method for the synthesis of a variety of biaryls, prochiral ketones, and acrylates under the conditions that are tolerant for a broad range of functional groups with good to excellent yields. The developed Pd/C-aqueous hydrotrope combined catalytic system is well suited for the 3R approach (reducible, robust, and recyclable) for different cross-coupling reactions without an appreciable loss of its activity.
}, issn = {1463-9262}, doi = {10.1039/c5gc02314a}, author = {Jadhav, Sanjay N. and Kumbhar, Arjun S. and Rode, Chadrashekhar V. and Salunkhe, Rajashri S.} } @article { ISI:000373421700057, title = {Liquid exfoliation of black phosphorus nanosheets and its application as humidity sensor}, journal = {Microporous and Mesoporous Materials}, volume = {225}, year = {2016}, month = {MAY}, pages = {494-503}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The bulk crystal of black phosphorus was exfoliated by liquid exfoliation method for a duration of 8 h using N-Methyl-2-Pyrrolidone as the solvent. The exfoliated sample was centrifuged at different rpm such as 3000, 5000 and 10,000 to separate out the 2D black phosphorus nanosheets with different thickness and length. The as synthesized black phosphorus nanosheets collected at these rpm values were characterized with TEM, AFM, Raman spectroscopy and Vis-NIR spectroscopy. Further, we investigated the humidity sensing behaviour of the devices fabricated by using these samples. The results obtained show that the device fabricated with black phosphorus nanosheets and nanoparticles obtained by filtration of the sample collected after 10,000 rpm exhibited better performance as compared to the nanosheets collected at 3000 and 5000 rpm. The response and recovery times of devices are found to be promising and better than those of the black phosphorus gas sensor reported earlier. The present investigations open up a new avenue for further studies in improving the performance of black phosphorus nanosheets based gas sensing devices. (C) 2016 Elsevier Inc. All rights reserved.
}, keywords = {black phosphorus, Humidity sensors, Liquid exfoliation, nanosheets}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2016.01.031}, author = {Late, Dattatray J.} } @article {45630, title = {Low band gap benzimidazole COF supported Ni3N as highly active OER catalyst}, journal = {Advanced Energy Materials}, volume = {6}, year = {2016}, month = {DEC }, pages = {Article No:1601189}, abstract = {
Covalent organic frameworks (COFs) have structures and morphologies closely resembling graphenes, whose modular construction permits atomiclevel manipulations. This, combined with their porous structure, makes them excellent catalyst supports. Here, the high electrocatalytic activity of a composite, formed by supporting Ni3N nanoparticles on a benzimidazole COF, for oxygen evolution reaction is shown. The composite oxidizes alkaline water with a near-record low overpotential of 230 mV @ 10 mA cm(-2) (eta(10)). This high activity is attributed to the ability of the COF to confine the Ni3N nanoparticles to size regimes otherwise difficult to obtain and to its low band gap character (1.49 eV) arising from the synergy between the conducting Ni3N nanoparticles and the pi-conjugated COF. The COF itself, as a metalfree self-standing framework, has an oxygen evolution reaction activity with 10 of 400 mV. The periodic structure of the COF makes it serve as a matrix to disperse the catalytically active Ni3N nanoparticles favoring their high accessibility and thereby good charge-transport within the composite. This is evident from the amount of O-2 evolved (230 mmol h(-1) g(-1)), which, to the best of our knowledge, is the highest reported. The work reveals the emergence of COF as supports for electrocatalysts.
}, issn = {1614-6832}, doi = {10.1002/aenm.201601189}, author = {Nandi, Shyamapada and Singh, Santosh Kumar and Mullangi, Dinesh and Illathvalappil, Rajith and George, Leena and Vinod, Chathakudath P. and Kurungot, Sreekumar and Vaidhyanathan, Ramanathan} } @article { ISI:000369603400025, title = {Low frequency noise and photo-enhanced field emission from ultrathin PbBi2Se4 nanosheets}, journal = {Journal of Materials Chemistry C}, volume = {4}, number = {5}, year = {2016}, month = {DEC}, pages = {1096-1103}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Atomically thin two-dimensional layered materials have gained wide interest owing to their novel properties and potential for applications in nanoelectronic and optoelectronic devices. Here, we present the spectral analysis and photo-enhanced field emission studies of a layered intergrowth PbBi2Se4 nanosheet emitter, performed at the base pressure of similar to 1 x 10(-8) mbar. The emitter shows a turn-on field value of similar to 4.80 V mu m(-1), corresponding to an emission current density of similar to 1 mu A cm(-2). Interestingly, when the cathode was illuminated with visible light, it exhibited a lower turn-on field of B3.90 V mm(-1), and a maximum emission current density of similar to 893 mu A cm(-2) has been drawn at an applied electric field of similar to 8.40 V mu m(-1). Furthermore, the photo-enhanced emission current showed reproducible, step-like switching behavior in synchronous with ON-OFF switching of the illumination source. The emission current-time plots reveal excellent stability over a duration of similar to 6 h. Low-frequency noise is a significant limitation for the performance of nanoscale electronic devices. The spectral analysis performed on a Fast Fourier Transform (FFT) analyzer revealed that the observed noise is of 1/f(alpha) type, with the value of alpha similar to 0.99. The low frequency noise, photo-enhanced field emission, and reproducible switching behavior characterized with very fast rise and fall times propose the layered PbBi2Se4 nanosheet emitter as a new promising candidate for novel vacuum nano-optoelectronic devices.
}, issn = {2050-7526}, doi = {10.1039/c5tc02993g}, author = {Suryawanshi, Sachin R. and Guin, Satya N. and Chatterjee, Arindom and Kashid, Vikas and More, Mahendra A. and Late, Dattatray J. and Biswas, Kanishka} } @article {43408, title = {Low temperature synthesis of metal doped perovskites catalyst for hydrogen production by autothermal reforming of methane (vol 41, pg 14605, 2016)}, journal = {International Journal of Hydrogen Energy}, volume = {41}, year = {2016}, month = {DEC}, pages = {21571-21571}, doi = {10.1016/j.ijhydene.2016.10.008}, author = {Pradhan, Sivaram} } @article {42913, title = {Low turn-on field and high field emission current density from Ag/TiO 2 nanocomposite}, journal = {Chemical Physics Letters}, volume = {657}, year = {2016}, month = {JUL}, pages = {167{\textendash}171}, abstract = {
High current density of 1.24 mA/cm2 was drawn at an applied field of 4.4 V/μm from Ag/TiO2 nanocomposite. Also the turn-on field has been reduced from 3.9 V/μm to 2.7 V/μm for the emission current density of 10 μA/cm2. Ag/TiO2 nanocomposite was synthesized by using UV-switchable reducing agent. TiO2 nanotube wall was decorated by Ag nanoparticles with average diameter of 17 nm. To the best of our knowledge this is the first report on the field emission studies of Ag/TiO2 nanocomposite. Simple synthesis route coupled with superior field emission properties indicate the possible use of Ag/TiO2 nanocomposite for micro/nanoelectronic devices.
}, doi = {10.1016/j.cplett.2016.06.003}, author = {Patil, Girish P. and Deore, Amol B. and Bagal, Vivekanand S. and Late, Dattatray J. and More, Mahendra A. and Chavan, Padmakar G.} } @article { ISI:000379314700006, title = {Low-overpotential electrocatalytic water splitting with noble-metal-free nanoparticles supported in a sp(3) n-rich flexible COF}, journal = {Advanced Energy Materials}, volume = {6}, number = {13}, year = {2016}, month = {JUL}, pages = {Article No. 1600110}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Covalent organic frameworks (COFs) are crystalline organic polymers with tunable structures. Here, a COF is prepared using building units with highly flexible tetrahedral sp(3) nitrogens. This flexibility gives rise to structural changes which generate mesopores capable of confining very small (\<2 nm sized) non-noble-metal-based nanoparticles (NPs). This nanocomposite shows exceptional activity toward the oxygen-evolution reaction from alkaline water with an overpotential of 258 mV at a current density of 10 mA cm(-2). The overpotential observed in the COF-nanoparticle system is the best in class, and is close to the current record of approximate to 200 mV for any noble-metalfree electrocatalytic water splitting system-the Fe-Co-Ni metal-oxide-film system. Also, it possesses outstanding kinetics (Tafel slope of 38.9 mV dec(-1)) for the reaction. The COF is able to stabilize such small-sized NP in the absence of any capping agent because of the COF-Ni(OH)(2) interactions arising from the N-rich backbone of the COF. Density-functional-theory modeling of the interaction between the hexagonal Ni(OH)(2) nanosheets and the COF shows that in the most favorable configuration the Ni(OH)(2) nanosheets are sandwiched between the sp(3) nitrogens of the adjacent COF layers and this can be crucial to maximizing their synergistic interactions.
}, issn = {1614-6832}, doi = {10.1002/aenm.201600110}, author = {Mullangi, Dinesh and Dhavale, Vishal M. and Shalini, Sorout and Nandi, Shyamapada and Collins, Sean and Woo, Tom and Kurungot, Sreekumar and Vaidhyanathan, Ramanathan} } @article { ISI:000377003800038, title = {M. V. Bhatt (1924-2016)}, journal = {Current Science}, volume = {110}, number = {10}, year = {2016}, month = {MAY}, pages = {2026-2028}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Shashidhar, M. S. and Periasamy, M.} } @article { ISI:000374196000022, title = {Mechanically tunable curcumin incorporated polyurethane hydrogels as potential biomaterials}, journal = {Chemistry of Materials}, volume = {28}, number = {7}, year = {2016}, month = {APR}, pages = {2120-2130}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
We report here on the one-pot synthesis and characterization of curcumin incorporated polyethylene glycol polyurethane (PU-CUR) hydrogels using PEG-4000, 4, 4{\textquoteright}-methylenebis (cyclohexyl isocyanate), curcumin in the presence of a cross-linker, 1,2,6 hexanetriol (HT). Besides the physical entrapment, curcumin also provides a partial cross linking in the 3-D structure of the hydrogel. The degree of swelling in hydrogels could be controlled by varying the amount of HT as well as curcumin. The structural characterization of hydrogels was performed using Fourier transform infrared spectroscopy, high-resolution mass spectrometry, UV and fluorescence spectroscopy. The wide-angle X-ray scattering studies revealed the existence of crystalline domains of PEG, and the small-angle X-ray scattering studies showed the presence of lamellar microstructures. Porous structure in the hydrogel was created by cryogenic treatment and lyophilization. Scanning electron microscopy and microcomputed tomography imaging of hydrogels showed the presence of interconnected pores. The mechanical strength of the hydrogels was measured using a universal testing machine. The observed tensile and breaking compression strengths for the equilibrium swollen gels were found to be in the range of 0.22-0.73 MPa and 1.65-4.6 MPa, respectively. Detailed in vitro biological experiments showed the biocompatibility of gels, cytostatic dosage of curcumin, selective toxicity toward cancer cell lines, and antibacterial property. These gels show promising applications as scaffolds and implants in tissue engineering.
}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b04964}, author = {Divakaran, Anumon V. and Azad, Lal Busher and Surwase, Sachin S. and Torris, Arun A. T. and Badiger, Manohar V.} } @article {45634, title = {Mechanistic and spectroscopic investigations of Ru3+-catalyzed oxidative degradation of azidothymidine by heptavalent manganese at environmentally relevant pH}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {DEC}, pages = {28349-28362}, type = {Article}, abstract = {
The rapid increase in the population across the world has increased the consumption of pharmaceutical substances. These pharmaceutical substances have penetrated into the water through various ways. Mechanistic and spectroscopic investigations of Ru3+-catalyzed oxidative degradation of azidothymidine (AZT) by heptavalent manganese was studied for the first time. The values of pH-dependent apparent second-order rate constant show that Ru3+ accelerates the rate of the oxidative degradation of AZT by heptavalent manganese eight times faster than uncatalyzed reaction. Ru3+ catalytic oxidative degradation of AZT by heptavalent manganese was greatly depending on the pH. The removal of the AZT by heptavalent manganese in the presence of Ru3+ shows unit order with respect to heptavalent manganese, Ru3+, and AZT. The influences of dielectric constant, ionic strength, pH, addition of monomer, variation in catalyst concentration, etc. on the rate of the reaction were studied thoroughly and discussed in detail. The eight different products produced during the reaction were analyzed using the high-resolution mass spectrometry. Activation parameters were determined from variation in temperature during the reaction. The catalytic plausible mechanism was projected in which Ru3+ is oxidized to higher oxidation states of ruthenium by heptavalent manganese at environmentally relevant pH.
}, keywords = {Azidothymidine, catalysis, Degradation, Heptavalent manganese, kinetics, Mechanism}, issn = {1944-3994}, doi = {10.1080/19443994.2016.1187090}, author = {Kulkarni, Raviraj M. and Bhamare, Vijaykumar S. and Santhakumari, B.} } @article {42739, title = {Mechanistic insights into pincer-ligated palladium-catalyzed arylation of azoles with aryl Iodides: evidence of a Pd-II-Pd-IV-Pd-II pathway}, journal = {Organometallics}, volume = {35}, year = {2016}, month = {MAR}, pages = {875{\textendash}886}, abstract = {
Pincer-based (R2POCNR'2)PdCl complexes along with CuI cocatalyst catalyze the arylation of azoles with aryl iodides to give the 2-arylated azole products. Herein, we report an extensive mechanistic investigation for the direct arylation of azoles involving a well-defined and highly efficient (iPr2POCNEt2)PdCl (2a) catalyst, which emphasizes a rare PdII{\textendash}PdIV{\textendash}PdII redox catalytic pathway. Kinetic studies and deuterium labeling experiments indicate that the C{\textendash}H bond cleavage on azoles occurs via two distinct routes in a reversible manner. Controlled reactivity of the catalyst 2a underlines the iodo derivative (iPr2POCNEt2)PdI (3a) to be the resting state of the catalyst. The intermediate species (iPr2POCNEt2)Pd-benzothiazolyl (4a) has been isolated and structurally characterized. A determination of reaction rates of compound 4a with electronically different aryl iodides has revealed the kinetic significance of the oxidative addition of the C(sp2){\textendash}X electrophile, aryl iodide, to complex 4a. Furthermore, the reactivity behavior of 4a suggests that the arylation of benzothiazole proceeds via an oxidative addition/reductive elimination pathway involving a (iPr2POCNEt2)PdIV(benzothiazolyl)(Ar)I species, which is strongly supported by DFT calculations.
}, doi = {10.1021/acs.organomet.6b00003}, author = {Khake, Shrikant M. and Jagtap, Rahul A. and Dangat, Yuvraj B. and Gonnade, Rajesh G. and Vanka, Kumar and Punji, Benudhar} } @article { ISI:000369665800035, title = {Mechanochemically synthesized covalent organic framework as a proton-conducting solid electrolyte}, journal = {Journal of Materials Chemistry A}, volume = {4}, number = {7}, year = {2016}, month = {JAN}, pages = {2682-2690}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Mechanochemistry has become an increasingly important synthetic tool for a waste-free environment. However, the poor quality of the so-derived materials in terms of their crystallinity and porosity has been their major drawback for any practical applications. In this report, we have for the first time successfully leveraged such characteristics to show that the mechanochemically synthesized bipyridine based covalent organic framework (COF) outperforms its conventional solvothermal counterpart as an efficient solid-state electrolyte in PEM fuel cells. Marking the first such attempt in COFs, a Membrane Electrode Assembly (MEA) fabricated using the mechanochemically synthesized COF was observed to inhibit the fuel crossover and build up a stable Open Circuit Voltage (OCV = 0.93 V at 50 degrees C), thereby establishing itself as an effective solid electrolyte material (with a proton conductivity of 1.4 x 10(-2) S cm(-1)), while the solvothermally synthesized COF proved ineffective under similar conditions.
}, issn = {2050-7488}, doi = {10.1039/c5ta10521h}, author = {Shinde, Digambar Balaji and Aiyappa, Harshitha Barike and Bhadra, Mohitosh and Biswal, Bishnu P. and Wadge, Pritish and Kandambeth, Sharath and Garai, Bikash and Kundu, Tanay and Kurungot, Sreekumar and Banerjee, Rahul} } @inbook {45865, title = {Memory booster plant Bacopa monniera (brahmi): biotechnology and molecular aspects of bacoside biosynthesis}, booktitle = {Medicinal plants - recent advances in research and development}, year = {2016}, pages = {167-189}, publisher = {Springer }, organization = {Springer }, address = {Singapore}, abstract = {Bacopa monniera (Brahmi) has been used in the Ayurvedic system of medicine as a brain tonic, memory enhancer, antianxiety, cardiotonic, anticancer, anti-inflammatory, analgesic, and anticonvulsant agent since ancient times. These pharmacological properties are mainly attributed to the triterpenoid saponins present in the extracts of the plant. Biosynthesis of triterpenoid saponins starts from the isoprenoid pathway through farnesyl pyrophosphate by cyclization of 2,3-oxidosqualene, resulting in the formation of triterpenoid backbones. The plant produces relatively smaller amounts of bacosides, and to overcome this shortage, a large amount of biomass is used in the pharmaceutical preparations. Despite a wealth of medicinal importance, the molecular characterization and pathway engineering of bacoside biosynthesis in Bacopa remain unexplored. In this chapter, we have briefly discussed the research findings on in vitro plant regeneration, genetic transformation, and molecular characterization of some of the genes involved in the biosynthesis of bacosides.}, isbn = {978-981101085-9}, issn = {978-981101084-2}, doi = {10.1007/978-981-10-1085-9_6}, author = {Vishwakarma, R. K. and Kumari, U. and Khan, B. M.} } @inbook {45866, title = {Metabolic engineering: achieving new insights to ameliorate metabolic profiles in Withania somnifera}, booktitle = {Medicinal plants - recent advances in research and development}, year = {2016}, pages = {191-214}, publisher = {Springer }, organization = {Springer }, address = {Singapore}, abstract = {Withania somnifera, commonly known as Indian ginseng, has been used for centuries in Ayurvedic system of medicine for its antitumor, antioxidant, antiaging, antiserotogenic, and antistress activities. The various medicinal properties of the plant are accredited to the steroidal lactones (withanolides) present in the plant. Withanolides are synthesized by diverting the metabolite flux away from the isoprenoid pathway by the reductive condensation of farnesyl diphosphate to squalene through the activity of the enzyme squalene synthase. This enzyme squalene synthase is a major branch point involved in the regulation of withanolides. Owing to low concentrations of these bioactive compounds in plant, large biomass is utilized for the preparation of medicinal formulations in pharmaceutical industries to fulfill the growing commercial demand. To protect Withania spp. from becoming an endangered species, the activity of squalene synthase has been well exploited. This chapter is focused on the engineering of isoprenoid biosynthetic pathway in W. somnifera by the introduction of squalene synthase gene to improve the yield of desired product. }, issn = {978-981101085-9;978-981101084-2}, doi = {10.1007/978-981-10-1085-9_7}, author = {Patel, N. and Patel, P. and Khan, B. M.} } @article {43416, title = {Metabolic syndrome - a truly psychosomatic disorder? a global hypothesis}, journal = {Medical Hypotheses}, volume = {97}, year = {2016}, month = {DEC}, pages = {46-53}, abstract = {Exact cause of the metabolic syndrome [MS], a global epidemic, is still unclear. Man has same fundamental needs to live as animals but modern man{\textquoteright}s life-style compels him to acquire certainty of resources for all his needs in a complex social network. Today money has become the sole life essential need. Contrarily none of the animals needs to earn money. Brain is also an organ of the human body with a unique thought process to define logical actions to achieve a person{\textquoteright}s goals. This way life is a flow of desires followed by logical actions. The person struggles to attain desired goals via the allostatic load but a perceived insurmountable threat can make his flow of life stalled to freeze him. Published data from varied branches of medical science indicates role of hormones in overall homeostasis. Particularly multifaceted role of serotonin is well documented. Adrenalin being the primary mediator of Cod cycle is also well known. From the integration of observations from published data with reference to common human{\textquoteright}s modern lifestyle, it is hypothesized that a perceived trapped situation in life creates acute chaos of thoughts in brain, which results in acute excess of stress hormones and concurrent depletion of resting hormones, which in turn triggers MS. In global terms, MS indicates an acute imbalance of a few hormones and implies psychosomatic roots of the disorder. This may pave a better way in deciding a personalized holistic protocol with combination of counter regulatory psychoactive medications. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.mehy.2016.10.015}, author = {Ghike, Shrikant Madhukar} } @article {43053, title = {Metal phosphine-sulfonate acetonitrile complex for insertion copolymerization of functional olefins}, number = {PCT/IN2015/050107}, year = {2016}, month = {MAR}, type = {Application}, edition = {C07F9/50, C07F15/00}, chapter = {WO2016038631 A1}, address = {India}, issn = {WO2016038631 A1}, author = {Chikkali, Samir H. and Gaikwad, Shahaji R.} } @article {43637, title = {Micropropagation of Semecarpus anacardium L. from mature tree-derived nodal explants}, journal = {Plant Biosystems}, volume = {150}, year = {2016}, month = {JAN}, pages = {942-952}, abstract = {A protocol was established for micropropagation of Semecarpus anacardium L. from mature tree-derived twigs. Sixty percent of aseptic cultures were obtained by surface sterilization with Bavistin, liquid detergent, and cefotaxime. Elongated twigs collected before flowering were optimum for in vitro culture initiation. Meristematic activity was triggered at all concentrations of thidiazuron (TDZ) incorporated into Woody Plant Medium. TDZ suppressed elongation of axillary buds, resulting into swollen meristems and upon its elimination multiple shoot primordia formation and differentiation were noted. Differentiation and shoot elongation were slower in explants pre-cultured with higher concentrations of TDZ. Swollen axillary meristems pre-cultured on TDZ (9.08 and 13.62 mu M) failed to differentiate, whereas TDZ at 2.27 mu M was optimal for shoot differentiation and elongation. Multiple bud induction was favored by 4.45 mu M of TDZ. Differentiation of multiple shoot primordia by repeated subculturing on growth regulator-free medium and rooting was 100\% in filter-paper supported half-strength liquid medium containing 7.38mM IBA. Rooting was 90\% in shoots placed directly in half-strength liquid medium with 2.46 mu M IBA. Rooted plantlets hardened in soil: sand mixture (1:1) were transferred to green house. Genetic uniformity of in vitro raised clones with mother plant was confirmed by Inter-Simple Sequence Repeat markers.}, doi = {10.1080/11263504.2014.993741}, author = {Panda, B. M. and Mehta, U. J. and Hazra, S.} } @article {43595, title = {Minute-made activated porous carbon from agro-waste for Li-ion battery anode using a low power microwave oven}, journal = {Electrochimica ACTA}, volume = {212}, year = {2016}, month = {SEP}, pages = {535-544}, abstract = {We demonstrate a very simple, cost-effective and superfast process for making Li-ion battery (LIB) anode grade carbon from agro-waste in the form of sugarcane bagasse using a low power microwave system. Activation of this bagasse derived carbon is carefully optimized by using various weight ratios of KOH to obtain the desired properties of functional carbon in terms of porosity and electrical conductivity. Low equivalent series resistance (ESR), low charge transfer resistance with good electrical conductivity, and optimum porosity for efficient ion diffusion make this carbon a good candidate for Li-ion battery anode material rendering a reversible capacity of 757 mAhg (1) at a current density of 100 mAg (1) and a good cycling performance at high current rates. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.electacta.2016.07.011}, author = {Agarkar, Shruti and Yadav, Poonam and Fernandes, Rohan and Kothari, Dushyant and Suryawanshi, Anil and Ogale, Satishchandra} } @article {43354, title = {Mixing of medium viscosity liquids in a stirred tank with fractal impeller}, journal = {Theoretical Foundations of Chemical Engineering}, volume = {50}, year = {2016}, month = {NOV}, pages = {914-921}, abstract = {Mixing of viscous liquids in a stirred tank is a daunting task. The present paper explores the possibility of using a fractal impeller for mixing of viscous liquids in a stirred tank. The analysis includes power consumptions characteristics, mixing characteristics and the flow patterns in the stirred tank. Ultrasonic velocity profiler (UVP) was used to measure the local velocities in the stirred tank. Fractal impeller found to exhibit different power consumption characteristics than known for conventional impellers. For the range of viscosities 0.58-0.192 Pa s, mixing time found to be directly proportional to the power consumption per unit mass. The normalised mean radial velocity profiles were found to be independent of fluid viscosities studied in the present work.}, doi = {10.1134/S0040579516060105}, author = {Mule, Gunwant M. and Kulkarni, Amol A.} } @article { ISI:000370101800013, title = {Mixing studies in unbaffled stirred tank reactor using electrical resistance tomography}, journal = {Flow Measurement and Instrumentation}, volume = {47}, year = {2016}, month = {MAR}, pages = {110-121}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Unbaffled stirred tanks are extensively used in chemical process industries for variety of applications including semi-batch reactions. In un-baffled stirred tanks, impeller rotation generates a vortex and reactants are added into this vortex. There is a growing interest towards understanding the mixing performance of such unbaffled stirred vessels. The present work is aimed at providing experimental results on mixing time and solid particle distribution inside an unbaffled vessel using electrical resistance tomography (ERT). A methodology for using ERT for characterizing vortex and mixing in unbaffled stirred vessel was established. The ERT was used to measure the mixing time with and without solid particles (glass beads, 250 mu m) in a stirred reactor. In this study, ERT technique was effectively applied for imaging solid-liquid flow and developed suitable data processing methodologies. It observed that estimated liquid phase mixing time for Un-baffled vessel was more as compared to baffled vessel. Radial solid concentration profiles showed Gaussian distribution inside the vessel. The presented methodology of using ERT and experimental results will be useful for designing and estimating mixing and solid distribution in unbaffled stirred tanks. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {ERT, Mixing time, Radial solid concentration, Unbaffled stirred tank}, issn = {0955-5986}, doi = {10.1016/j.flowmeasinst.2016.01.003}, author = {Sardeshpande, Madhavi V. and Kumar, Gaurav and Aditya, T. and Ranade, Vivek V.} } @article {43420, title = {Modified photo-electrochemical and photo-voltaic properties of solvothermally crystallised TiO2 nanotube arrays}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {27}, year = {2016}, month = {DEC}, pages = {12427-12437}, abstract = {TiO2 nanotube arrays formed by electrochemical anodization of Ti metal foil are crystallized through a solvothermal technique at 200 A degrees C (as compared to conventional annealing at 550 A degrees C), which results in anatase phase with granular morphology. The photo-current measurements reveal a higher current-density under the visible light for solvothermally crystallized samples. The photo-current behavior has been analysed and correlated with defect state characterization using X-ray photo-electron spectroscopy, Photo-luminescence, Electron paramagnetic resonance and Mott-Schottky measurements. These studies indicate an oxygen vacancy related defect state at 1.14 eV below the conduction band. Also, the density of defect states in solvothermally crystallised samples is an order of magnite, the photo-voltaic properties are studied through dye-sensitised solar cells. I-Vude higher than that in conventionally annealed samples. Furthermor characteristics of DSSC fabricated with solvothermally crystallised samples show comparable efficiency but higher dye-adsorption with respect to the conventionally annealed samples. Such a comparable efficiency at a lower thermal budget leads to reduced {\textquoteright}energy pay-back time{\textquoteright} in solar cells fabricated with solvothermally crystallised TiO2 nanotube arrays. Finally, we demonstrate a proof-of-concept design of flexible solar cell based on TiO2 nanotubes grown on Kapton substrate and crystallised through the solvothermal technique.}, doi = {10.1007/s10854-016-5248-0}, author = {Banki, Manmadha Rao and Tathavadekar, Mukta and Chunchu, Venkatrao and Roy, Somnath C.} } @article { ISI:000382079800019, title = {Modulation of charge carrier mobility by side-chain engineering of bi(thienylenevinylene)thiophene containing PPE-PPVs}, journal = {RSC Advances}, volume = {6}, number = {57}, year = {2016}, month = {MAY}, pages = {51642-51648}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Four 2-dimensional conjugated poly(p-phenylene-ethynylene)-alt-poly(p-phenylene-vinylene) polymers containing a lateral bi(thienylenevinylene)thiophene unit (BTE-PVs) were synthesised and characterised. The investigated polymers share the same conjugated structure, but differ in the anchoring positions of solubilising linear octyloxy/branched 2-ethylhexyloxy side-chains. UV-vis spectra of the polymers in dilute chloroform solutions and as thin films were studied. X-Ray diffraction patterns as well as the bulk charge transport of polymer films cast from chlorobenzene solutions were also investigated. A dramatic effect of the solubilising side-chains on the charge carrier mobility of BTE-PV films was observed, with bulk hole mobility values ranging between 1.3 x 10(-5) cm(2) V-1 s(-1) and 2.2 x 10(-2) cm(2) V-1 s(-1), which is not ascribable to evident structural variations of the polymer films. It is shown that the combination of linear octyloxy and branched 2-ethylhexyloxy side-chains is favorable for the charge transport properties of BTE-PVs, compared to the incorporation of only linear or only branched side-chains.
}, issn = {2046-2069}, doi = {10.1039/c6ra00858e}, author = {Jadhav, Rupali R. and Camaioni, Nadia and Oppelt, Kerstin and Tinti, Francesca and Gazzano, Massimo and Fattori, Valeria and Wadgaonkar, Prakash P. and Rathgeber, Silke and Hoppe, Harald and Egbe, Daniel A. M.} } @article { ISI:000374286500004, title = {Molecular cloning and characterization of O-methyltransferase from mango fruit (mangifera indica cv. alphonso)}, journal = {Molecular Biotechnology}, volume = {58}, number = {5}, year = {2016}, month = {MAY}, pages = {340-350}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {
Flavour of ripe Alphonso mango is invariably dominated by the de novo appearance of lactones and furanones during ripening. Of these, furanones comprising furaneol (4-hydroxy-2,5-dimethyl-3(2H)-furanone) and mesifuran (2,5-dimethyl-4-methoxy-3(2H)-furanone) are of particular importance due to their sweet, fruity caramel-like flavour characters and low odour detection thresholds. We isolated a 1056 bp complete open reading frame of a cDNA encoding S-adenosyl-l-methionine-dependent O-methyltransferase from Alphonso mango. The recombinantly expressed enzyme, MiOMTS showed substrate specificity towards furaneol and protocatechuic aldehyde synthesizing mesifuran and vanillin, respectively, in an in vitro assay reaction. A semi-quantitative PCR analysis showed fruit-specific expression of MiOMTS transcripts. Quantitative real-time PCR displayed ripening-related expression pattern of MiOMTS in both pulp and skin of Alphonso mango. Also, early and significantly enhanced accumulation of its transcripts was detected in pulp and skin of ethylene-treated fruits. Ripening-related and fruit-specific expression profile of MiOMTS and substrate specificity towards furaneol is a suggestive of its involvement in the synthesis of mesifuran in Alphonso mango. Moreover, a significant trigger in the expression of MiOMTS transcripts in ethylene-treated fruits point towards the transcriptional regulation of mesifuran biosynthesis by ethylene.
}, keywords = {Ethylene, expression, Flavour, Mango, Mesifuran, Ripening}, issn = {1073-6085}, doi = {10.1007/s12033-016-9933-2}, author = {Chidley, Hemangi G. and Oak, Pranjali S. and Deshpande, Ashish B. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article {43444, title = {Molecular cloning and in silico studies of physiologically significant trehalase from drosophila melanogaster}, journal = {International Journal of Biological Macromolecules}, volume = {92}, year = {2016}, month = {NOV}, pages = {282-292}, abstract = {Trehalase, a physiologically important glycosidase is known for its crucial role in insect glycometabolism and stress recovery. The present study describes the molecular cloning of a gene fragment, encoding the catalytically active trehalase from Drosophila melanogaster (DmTre) and its heterologous expression in Escherichia coli. The 1275 bp gene was overexpressed in two different vectors viz., pET28a and pCOLD TF and investigated for variable soluble expression, purification and activity of the recombinant enzyme with optimum pH and temperature of enzyme as 6 and 55 degrees C, respectively. The sequence was characterized in silico by subjecting it to homology search, multiple sequence alignment and phylogenetic tree construction revealing its identity to other trehalases which belong to glycoside hydrolase family 37. The deduced amino acid sequence and modeled 3D structure of DmTre possessed all features of trehalase superfamily, including signature motifs and catalytic domain. The active site pocket of recombinant DmTre was compared with the crystal structure of E. coli trehalase identifying Glu424 and Asp226 as the putative catalytic residues. Additionally, enzyme-substrate docking suggests possible involvement of other residues in the catalysis along with Asp226. The present study holds significance in understanding the structural aspects of Drosophila trehalase in spite of unavailabilty of eukaryotic trehalase crystal structure. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.ijbiomac.2016.06.097}, author = {Shukla, Ekta and Thorat, Leena and Bhavnani, Varsha and Bendre, Ameya D. and Pal, J. K. and Nath, B. B. and Gaikwad, Sushama M.} } @article { ISI:000368702300006, title = {Molecular interaction of selected phytochemicals under the charged environment of Plasmodium falciparum chloroquine resistance transporter (PfCRT) model}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {34}, number = {2}, year = {2016}, month = {FEB}, pages = {290-303}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
Phytochemicals of Catharanthus roseus Linn. and Tylophora indica have been known for their inhibition of malarial parasite, Plasmodium falciparum in cell culture. Resistance to chloroquine (CQ), a widely used antimalarial drug, is due to the CQ resistance transporter (CRT) system. The present study deals with computational modeling of Plasmodium falciparum chloroquine resistance transporter (PfCRT) protein and development of charged environment to mimic a condition of resistance. The model of PfCRT was developed using Protein homology/analogy engine (PHYRE ver 0.2) and was validated based on the results obtained using PSI-PRED. Subsequently, molecular interactions of selected phytochemicals extracted from C. roseus Linn. and T. indica were studied using multiple-iterated genetic algorithm-based docking protocol in order to investigate the translocation of these legends across the PfCRT protein. Further, molecular dynamics studies exhibiting interaction energy estimates of these compounds within the active site of the protein showed that compounds are more selective toward PfCRT. Clusters of conformations with the free energy of binding were estimated which clearly demonstrated the potential channel and by this means the translocation across the PfCRT is anticipated.
}, keywords = {homology modeling, molecular dynamics, Plasmodium falciparum chloroquine, resistance transporter model}, issn = {0739-1102}, doi = {10.1080/07391102.2015.1028449}, author = {Patel, Saumya K. and Khedkar, Vijay M. and Jha, Prakash C. and Jasrai, Yogesh T. and Pandya, Himanshu A. and George, Linz-Buoy and Highland, Hyacinth N. and Skelton, Adam A.} } @article { ISI:000380054400005, title = {Molecular-Pillar-supported functionalized reduced graphene-oxide for energy efficient lubrication}, journal = {Advanced Materials Interfaces}, volume = {3}, number = {13}, year = {2016}, month = {JUL}, pages = {1600161}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Molecular-pillar-supported basal plane of reduced graphene oxide (rGO) is fabricated by polymerizing polyaniline (PANI). In the presence of poly(ethylene glycol) (PEG200), the gamma-radiolysis is used for modifying the functionalization and improving the structural symmetry of PANI and PEG grafted rGO (PANI-PEG-g-rGO). The PANI is covalently and noncovalently grafted onto the surface of the graphene sheets. Carboxyl groups of rGO are linked to the nitrogen atoms in the PANI backbone and an accompanying noncovalent interaction between alkyl chains of grafted PANI and hydrooxylated rGO is formed. Raman and Fourier transform infra-red results confirm existence of stretching vibrations of benzenoid and quinonoid rings in PANI-PEG-g-rGO-functionalized composite, indicating grafting between PANI and rGO through pi-pi interaction. Furthermore, PEG-functionalization through hydrogen bonding with rGO is confirmed when hydroxyl group from the rGO combines with oxygen of PEG. X-ray photoelectron spectroscopy reveals significant increase in carbon, while loading PANI network with rGO followed by gamma-irradiation. Antifriction and antiwear properties of graphene nanocomposite are considerably enhanced to 68.4\% and 48\%, respectively, as compared to pristine PEG. The unique lubrication properties are explained by PEG functionalized molecular PANI-pillar structure across basal plane of rGO.
}, issn = {2196-7350}, doi = {10.1002/admi.201600161}, author = {Gupta, Bhavana and Kumar, Niranjan and Panda, Kalpataru and Melvin, Ambrose A. and Joshi, Shailesh and Dash, Sitaram} } @article { ISI:000379577800033, title = {Molecules with O-acetyl group protect protein glycation by acetylating lysine residues}, journal = {RSC Advances}, volume = {6}, number = {70}, year = {2016}, month = {JUL}, pages = {65572-65578}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Pharmaceutical intervention for reduction of advanced glycation end products (AGEs) is considered as a therapeutic strategy to attenuate the pathogenesis of diabetes. Many molecules have been reported to possess antiglycation activity, one such example is acetylsalicylic acid (aspirin). It protects proteins from glycation by acetylating the lysine residues. Therefore, in this study we have synthesized and screened molecules containing free N-acetyl, O-acetyl and acetophenone groups. All the selected molecules in this study showed glycation inhibition but interestingly, only molecules with O-acetyl but not N-acetyl and acetophenone groups were capable of acetylating lysine residue. Furthermore, we have demonstrated that pre-acetylation or aspirin treatment prior to the induction of diabetes helps in reducing HbA1c and AGE formation in the streptozotocin induced diabetic mice. Hence pre-acetylation may have an additional therapeutic efficacy of reducing AGE levels in vivo. Incorporation of O-acetyl group into anti-diabetic molecules could be a useful strategy, as it may have an additive effect in reducing AGEs. Identification of such novel acetylating agents represents a new area in the drug discovery process.
}, issn = {2046-2069}, doi = {10.1039/c6ra11313c}, author = {Vannuruswamy, Garikapati and Jagadeeshaprasad, Mashanipalya G. and Kashinath, K. and Kesavan, Suresh K. and Bhat, Shweta and Korwar, Arvind M. and Chougale, Ashok D. and Boppana, Ramanamurthy and Reddy, D. Srinivasa and Kulkarni, Mahesh J.} } @article {45867, title = {Multifunctional copper dimer: structure, band gap energy, catalysis, magnetism, oxygen reduction reaction and proton conductivity}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {APR}, pages = {37515-37521}, type = {Article}, abstract = {A new dimeric copper complex namely, [Cu2(PDA)2(Ald)2(H2O)2]{\textperiodcentered}8H2O, 1, (where PDA = 2,4-pyridine dicarboxylic acid, Ald = aldrithiol) has been synthesized through a slow diffusion technique. Compound 1 is a molecular structure and assembled through H-bonding forming a supramolecular architecture. The CuO2N3 units bridged through an aldrithiol molecule to form the dimeric structure. The lattice water molecules are linked through H-bonding to form the decameric water cluster. The decameric water clusters are H-bonded to each other to form the 1D chain which resulted in excellent water stability and conduction of protons under humid conditions. Band gap energy and magnetic measurements show that compound 1 is a semiconductor and paramagnetic in nature. Further the compound is shown as a selective heterogeneous catalyst for styrene and cyclohexene epoxidation. This also shows a facile oxygen reduction reaction (ORR) and can be used as a promising Pt-free cathode in alkaline Direct Methanol Fuel Cells (DMFC). The present results suggest that compound 1 is a promising multifunctional material}, doi = {10.1039/C6RA05961A }, author = {Sarkar, D. and Chandra Rao, P. and Aiyappa, H. B. and Kurungot, S. and Mandal, S. and Ramanujam, K. and Mandal, S.} } @article { ISI:000369681000007, title = {Multifunctional nanocatalysts for tandem reactions: a leap toward sustainability}, journal = {Applied Catalysis A-General}, volume = {511}, year = {2016}, month = {FEB}, pages = {59-77}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Design of new multifunctional nanocatalysts is a hot area of research that aims to introduce multiple types of active sites on a single nanocatalyst. Multifunctional nanocatalysts are useful to carry out a multi-step reaction requiring same or different active sites in a single pot. Such catalysts must possess the active sites at spatially distinct locations to avoid neutralization but yet remain active independently or through cooperative actions. The necessity of nanostructuring the active sites have emerged as the key point in a successful design of the catalysts. The review covers the progress in this area of research done in the last five years. It includes the classification of catalysts based on active sites and structure of active sites at the nanoscale. The review covers exhaustively with 250+ references and ample examples to present the concept succinctly. The review covers the evolution of multifunctional catalysts from the perspective of materials chemistry. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Heterogeneous catalysts, Multifunctional nanocatalysts, Nanostructured materials, Tandem reactions}, issn = {0926-860X}, doi = {10.1016/j.apcata.2015.11.033}, author = {Jagadeesan, Dinesh} } @article { ISI:000380599800018, title = {Multi-gram scale synthesis of hunanamycin A, an antibiotic natural product from the marine source}, journal = {Tetrahedron Letters}, volume = {57}, number = {32}, year = {2016}, month = {AUG}, pages = {3662-3663}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A simple, practical, and biomimetic approach to access antibiotic natural product hunanamycin A starting from readily available inexpensive material Riboflavin is disclosed here. The present synthesis consists of three operationally simple, protecting group free steps and it is far superior when compared with the previous route. Using this route one can make multi-gram quantities of the natural product which will help in further biological assays, in particular exploring the potential of treating food infections. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Antibacterial, Biomimetic synthesis, Gram scale synthesis, Natural product, Riboflavin}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2016.07.003}, author = {Shingare, Rahul D. and Farhana, Sa Ada and Reddy, D. Srinivasa} } @article {43582, title = {Mustard plant ash: a source of micronutrient and an adsorbent for removal of 2,4-dichlorophenoxyacetic acid}, journal = {Environmental Science and Pollution Research}, volume = {23}, year = {2016}, month = {OCT}, pages = {20087-20099}, abstract = {The work highlights the utilization of an agricultural waste mustard plant ash (MPA) as a soil additive and an adsorbent. MPA was characterized by X-ray fluorescence (XRF), energy-dispersive X-ray spectroscopy (EDX), proximate analysis, CHNS analysis, Brunauer-Emmett-Teller (BET) surface area analysis, zeta potential measurements, Fourier transform infrared (FTIR), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). XRF analysis confirmed the presence of CaO (31.35 \%), K2O (18.55 \%), and P2O5 (6.99 \%), all of which act as micronutrients to plants. EDX also confirms high amount of elemental O, Ca, K, and P. The adsorptive ability of MPA was investigated using a commonly used herbicide, 2,4-dichlorophenoxyacetic acid (2,4-D), as a representative chemical. Batch adsorption experiments were conducted to study the effect of different operational parameters such as adsorbent dose, initial 2,4-D concentration, contact time, and temperature on the adsorption process. Data from experiments were fitted to various kinetic and isothermal models. The pseudo-second-order kinetic model was found to show the best fit (R (2) > 0.99), with the highest k (2) value of the order 10(5). Based on the study results, dosage of MPA/hectare for different crops has been recommended for effective removal of 2,4-D. To our knowledge, this is the first study in which MPA has been characterized in detail and investigated for dual applications (as an adsorbent and as a soil additive).}, doi = {10.1007/s11356-016-6202-7}, author = {Trivedi, Nikhilesh S. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {43446, title = {N-2 activation on Al metal clusters: catalyzing role of BN-doped graphene support}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, year = {2016}, month = {OCT}, pages = {27721-27727}, abstract = {The successful sustenance of life demands an ambient abiotic process for N-2 activation and dissociation. The Bosch-Haber process remains the only abiotic and synthetic means for N-2 activation and its fixation. Metal nanoclusters have been recently reported for activating molecular nitrogen. Interestingly, the metal clusters explored so far for N-2 activation are free clusters and, hence, are practically not applicable by experimental chemists. Using density functional theory (DFT) based methodology, we propose a potential catalytic system for di-nitrogen activation, viz. supported Al clusters. Al clusters supported on BN doped graphene sheets are seen to activate N-2 molecule with a red shift in the N-N stretching frequency up to 874 cm(-1) with activation barriers as low as 1.14 eV.}, doi = {10.1039/c6cp03342c}, author = {Kumar, Deepak and Pal, Sourav and Krishnamurty, Sailaja} } @article { ISI:000373738000011, title = {Nanoporous graphene enriched with Fe/Co-N active sites as a promising oxygen reduction electrocatalyst for anion exchange membrane fuel cells}, journal = {Advanced Functional Materials}, volume = {26}, number = {13}, year = {2016}, month = {APR}, pages = {2150-2162}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Here, a simple but efficient way is demonstrated for the preparation of nanoporous graphene enriched with Fe/Co-nitrogen-doped active sites (Fe/Co-NpGr) as a potential electrocatalyst for the electrochemical oxygen reduction reaction (ORR) applications. Once graphene is converted into porous graphene (pGr) by a controlled oxidative etching process, pGr can be converted into a potential electrocatalyst for ORR by utilizing the created edge sites of pGr for doping nitrogen and subsequently to utilize the doped nitrogens to build Fe/Co coordinated centers (Fe/Co-NpGr). The structural information elucidated using both XPS and TOF-SIMS study indicates the presence of coordination of the M-N (M = Fe and Co)-doped carbon active sites. Creation of this bimetallic coordination assisted by the nitrogen locked at the pore openings is found to be helping the system to substantially reduce the overpotential for ORR. A 30 mV difference in the overpotential () with respect to the standard Pt/C catalyst and high retention in half wave potential after 10 000 cycles in ORR can be attained. A single cell of an anion exchange membrane fuel cell (AEMFC) by using Fe/Co-NpGr as the cathode delivers a maximum power density of approximate to 35 mWcm(-2) compared to 60 mWcm(-2) displayed by the Pt-based system.
}, keywords = {electrocatalyst, nitrogen doping, oxygen reduction reaction, porous grapheme, quantum dots}, issn = {1616-301X}, doi = {10.1002/adfm.201504765}, author = {Palaniselvam, Thangavelu and Kashyap, Varchaswal and Bhange, Siddeswar N. and Baek, Jong-Beom and Kurungot, Sreekumar} } @article { ISI:000381232100002, title = {Nanostructure oxygen carrier used in chemical looping combustion process-A review}, journal = {Advanced Science Letters}, volume = {22}, number = {4, SI}, year = {2016}, note = {3rd International Conference on Nanotechnology, Pune, INDIA, OCT 14-15, 2014}, month = {APR}, pages = {717-721}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {
Chemical looping combustion (CLC) is an emerging technology with inherent separation of CO2 from combustion of fuels. In this technique contact of air and fuel for combustion is restricted by providing oxygen through oxygen carrier (DC). The functional efficiency of CLC process mainly depends on the ability of oxygen carrier and it{\textquoteright}s reactivity, which undergoes repeated oxidation and reduction cycles. Nanostructure metal oxides have shown great potential application in the field of chemical looping combustion due to their high surface to volume ratio and enhanced structural properties. Synthesis technique of nanostructure metal oxides, their role as oxygen carrier, their reactivity with fuels along with their structural stability are reviewed herein. The contribution of various operating conditions on nanostructure oxygen carrier are considered in this review. These operating conditions and synthesis routes are summarized and classified according to metal oxides.
}, keywords = {Chemical looping combustion, CO2 Emission, Metal Oxide, Nanostructure, Oxygen Carrier}, issn = {1936-6612}, doi = {10.1166/asl.2016.6930}, author = {Badadare, Mansing M. and Adbale, Naina M. and Khomane, Ramdas B. and Kale, Ganesh R.} } @article { ISI:000374073800014, title = {Naphthoquinone based chemosensor 2-(2 {\textquoteleft}-aminoethylpyridine)-3-chloro-1,4-naphthoquinone: detection of metal ions, X-ray -crystal structures and DFT studies}, journal = {Journal of Molecular Structure}, volume = {1114}, year = {2016}, month = {JUN}, pages = {132-143}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Naphthoquinone based Chemosensor 2; 2-(2{\textquoteright}-aminoethylpyridine)-3-chloro-1,4-napthoquinone have been synthesized and characterized. Chemosensor 2 crystallizes in the orthorhombic space group Pbcn and shows extensive intramolecular as well as intermolecular hydrogen bonding interactions. Each molecule of Chemosensor 2 showed interaction with five neighboring molecules via C-H center dot center dot center dot N, N-H center dot center dot center dot N, C-H center dot center dot center dot Cl and C-H center dot center dot center dot O interactions. Slipped pi-pi stacking interaction was observed in adjacent quinonoid and benzenoid rings. Chemosensor abilities of Chemosensor 2 ligand have been evaluated with metal ions viz. Cu2+, Ni2+, Zn2+, Co2+, Fe3+, Mn2+, Cr3+, Hg2+, La3+ and Cd2+ in methanol, methanol-water mixture and in presence of mild base triethylamine. Stoichiometry of Chemosensor 2 with metal ions such as Cu2+, Ni2+, Zn2+ and Co2+ ions was determined by Jobs method in methanol and were found as 1:1 for Cu2+ and 2:1 for Ni2+, Zn2+ Co2+. The variation in the metal ligand ratio is observed in aqueous media for Cu2+. Chemosensor 2 can be used selectively for naked eye detection of Cu2+ ions. The association constant obtained in methanol shows the trend Cu2+\>Ni2+\>Co2+. Cu2+ and two (Ni-1 and Ni-2) Ni2+ complexes were synthesized. Ni-2 complex showed coordination of Chemosensor 2 ligands was through pyridine nitrogen{\textquoteright}s only. The Chemosensor 2 and its deprotonated forms in methanol, water and triethylamine were also studied by TD-DFT studies. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Aminonaphthoquinone, Chemosensor, hydrogen bonding, Naphthoquinone, pi-pi stacking, TD-DFT}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2016.02.065}, author = {Patil, Amit and Ware, Anuja P. and Bhand, Sujit and Chakravarty, Debamitra K. and Gonnade, Rajesh G. and Pingale, Subhash S. and Salunke-Gawali, Sunita} } @article {42936, title = {Naturally occurring anti-TB agents: isolation, chemical transformations and in vitro antitubercular activities of secondary metabolites of rhizomes of alpinia galanga}, journal = {Planta Medica International Open}, volume = {3}, year = {2016}, month = {SEP}, pages = {e55-e59}, abstract = {
A bioactivity-guided chemical examination of the acetone extract of the rhizomes of Alpinia galanga led to the isolation of six sec-ondary metabolites, eucalyptol derivative (1)andphenylpropa-noids (2{\textendash}6). The structures of all of the isolated compounds (1{\textendash}6)wereelucidatedonthebasisoftheirspectraldata.Theisolatedcompounds (1{\textendash}6)werein vitro assayed against active and dor-mant phenotypes of Mycobacterium tuberculosis H37Ra, respec-tively. Interestingly, 1'S-1'-acetoxychavicol acetate (2)showedgood antitubercular activities against both active and dormantphenotypes of M. tuberculosis with IC50 values of 1.04 {\textmu}M and2.69 {\textmu}M, respectively. Tsuji-Trost and homodimerization reac-tions of the active compound (2)respectivelyresultedinthefor-mation of two analogues, 7and 8.Bothofthesesynthesizedana-logues were also found to be active in vitro against active [IC50 sof3.24 and 3.87 {\textmu}M, respectively, for compounds 7and 8]anddor-mant [IC50 sof8.33and2.41{\textmu}M,respectively,forcompounds7and 8]phenotypesofM. tuberculosis H37Ra, respectively.
}, doi = {10.1055/s-0042-112226}, author = {Valkute, Tushar R. and Arkile, Manisha A. and Sarkar, Dhiman and Bhattacharya, Asish K.} } @article {43398, title = {Necking in extrusion film casting: numerical predictions of the maxwell model and comparison with experiments}, journal = {Journal of Macromolecular Science Part B-Physics}, volume = {55}, year = {2016}, month = {SEP}, pages = {984-1006}, abstract = {The role of viscoelasticity in determining the extent of necking of a web of molten polymer extruded in an isothermal steady state extrusion film casting (EFC) process is considered. Following a brief review of experimental and theoretical efforts on this problem, analytical and numerical solutions to a well-established model for extrusion film casting using the Maxwell constitutive equation is presented. The extent of film necking was found to either increase or decrease with draw ratio (DR) depending on the Deborah number (De). The locus of points on the draw ratio-Deborah number diagram at which the draw ratio dependence of the necking width inverts was calculated and compared with the locus that separates the unattainable regime from the experimentally accessible regime. Predicted trends were found to be in qualitative agreement with experimental data for various polyethylene grades.}, doi = {10.1080/00222348.2016.1225556}, author = {Pol, Harshawardhan V. and Thete, Sumeet S.} } @conference {43045, title = {Network structure and enzymatic evolution in Leishmania metabolism: a computational study}, booktitle = {Proceedings of the International Symposium on Mathematical and Computational Biology-BIOMAT 2015}, year = {2016}, month = {JUN}, publisher = {World Scientific }, organization = {World Scientific }, address = {Roorkee, Uttarakhand, India}, doi = {10.1142/9789813141919_0001 }, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article {43624, title = {Nevirapine loaded core shell gold nanoparticles by double emulsion solvent evaporation: invitro and in vivo evaluation}, journal = {Current Drug Delivery}, volume = {13}, year = {2016}, month = {JAN}, pages = {1071-1083}, abstract = {Background: HIV/AIDS is a macrophage resident infection localized in the reticuloendothelial system and remote locations of brain and bone marrow. We present core shell nanoparticles of gold(AuNPs) and nevirapine(NVP) for targeted delivery to the multiple HIV reservoirs. The aim of the study was to design core shell NVP loaded AuNPs with high drug loading and to evaluate biodistribution of the nanoparticles in possible HIV reservoirs in vivo. A specific objective was to assess the possible synergy of AuNPs with NVP on anti-HIV activity in vitro. Method: Core shell nanoparticles were prepared by double emulsion solvent evaporation method and characterized. Results: Glyceryl monostearate-nevirapine-gold nanoparticles(GMS-NVP-AuNPs) revealed high entrapment efficiency (> 70\%), high loading (similar to 40\%), particle size < 250 nm and zeta potential -35.9 +/- 1.41mv and exhibited sustained release with good stability. Surface plasmon resonance indicated shell formation while SEM coupled EDAX confirmed the presence of Au. TEM confirmed formation of spherical core shell nanoparticles. GMS-NVP-AuNPs revealed low hemolysis (< 10 \%) and serum stability upto 6 h. GMS-NVP-AuNPs exhibited rapid, high and sustained accumulation in the possible HIV reservoir organs, including the major organs of liver, spleen, lymph nodes, thymus and also remote locations of brain, ovary and bone marrow. High cell viability and enhanced uptake in PBMC{\textquoteright}s and TZM-bl cells were observed. While uptake in PBMC{\textquoteright}s proposed monocytes/macrophages enabled brain delivery. GMS-NVP-AuNPs demonstrated synergistic anti-HIV activity. Conclusion: The superior anti-HIV activity in vitro coupled with extensive localization of the nanoparticles in multiple HIV reservoirs suggests great promise of the core shell GMS-NVP-AuNPs for improved therapy of HIV.}, doi = {10.2174/1567201813666160114093005}, author = {Dalvi, Bhagyashree R. and Siddiqui, Ejaz A. and Syed, Asad S. and Velhal, Shilpa M. and Ahmad, Absar and Bandivdekar, Atmaram B. and Devarajan, Padma V.} } @conference {45833, title = { New analytical method for rapid analysis and speciation of arsenic in rice}, booktitle = {Arsenic Research and Global Sustainability - Proceedings of the 6th International Congress on Arsenic in the Environment, AS 2016}, year = {2016}, month = {JUN}, publisher = {CRC Press/Balkema}, organization = {CRC Press/Balkema}, address = {Stockholm; Sweden}, abstract = {A new analytical method for the direct quantitative determination of arsenic (As) in rice is presented in this paper. This procedure is capable of performing speciation of As (III) and As (V). Thiamine present in the sample can also be measured by this procedure. Filter-plug inserted inside the reactor cap fixes the hydrogen sulfide gas generated in the reactor vessel. Arsenic along with the hydrogen sulfide is measured by substituting the filter plug with cotton plug without the sulfide absorbent. The hydrogen sulfide also produces pink stain in the detector tube. Arsenic and thiamine are found to be in the molar ratio of 1:1. For determining total As, the arsenate is converted to arsenite by a catalyst incorporated in the reagent, which is converted to arsine by sodium borohydride. The main As species detected in rice samples was inorganic As (III), which is consistent with the reported results. It takes only about 20 minutes to analyze one sample of rice. The present procedure can also analyze biological samples like urine, hair etc.}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85017014788\&origin=inward\&txGid=a426c85a47666658378239ec359b7356}, author = {Nambiar, O. G. B.} } @article {42949, title = {New dinor-cis-labdane diterpene and flavonoids with antimycobacterium activity from colebrookea oppositifolia}, journal = {Planta Medica Letters}, volume = {3}, year = {2016}, month = {MAR}, pages = {e20-e24}, abstract = {
The new 14,15-dinor-cis-labdane diterpene, named (+)-14,15-dinor-9α-hydroxy-cis-labd-11(E)-en-13-one (1), was isolated from the acetone extract of the aerial parts of Colebrookea oppositifolia, along with the known compounds alnustin (2), mosloflavone (3), flindulatin (4), 5,6,7-trimethoxy baicalein (5), tanetin (6), scutellarein 4'-methyl ether (7), apigenin (8), caffeic acid (9), anisofolin A (10), apigetrin (11), and forsythoside A (12). Structures of the new and known compounds were established by detailed analysis of 1D and 2D nuclear magnetic resonance studies. The isolated compounds 1{\textendash}12 were evaluated for their antimycobacterium activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis in both dormant and active phases. Compounds 1, 7, and 8 exhibited inhibitory activity against M. tuberculosis with IC50 values in the range of 8.1{\textendash}55.0 {\textmu}M (MIC 14.4{\textendash}119.7 {\textmu}M) in the active phase and 7.4{\textendash}43.5 {\textmu}M (MIC 11.5{\textendash}123.3 {\textmu}M) in the dormant phase. Similarly 1, 7, and 8 exhibited inhibitory activity against M. bovis with IC50 values in the range of 4.1{\textendash}98.5 {\textmu}M (MIC 13.7{\textendash}161.0 {\textmu}M) in the active phase and 4.1{\textendash}111.1 {\textmu}M (MIC 13.0{\textendash}166.4 {\textmu}M) in the dormant phase.
}, doi = {10.1055/s-0042-102200}, author = {Chinchansure, Ashish A. and Arkile, Manisha A. and Shinde, Dinesh R. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000368583100006, title = {New pimarane diterpenes and other antimycobacterial metabolites from anisochilus verticillatus}, journal = {Natural Product Research}, volume = {30}, number = {6}, year = {2016}, month = {MAR}, pages = {675-681}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
Phytochemical investigation of the acetone extract of the aerial parts of Anisochilus verticillatus afforded a new 8,9-secopimarane diterpene (1), two new isopimarane diterpenes (2, 3) and the known ursolic acid (4), beta-amyrin (5), -amyrin (6), stigmast-5-en-3-one (7) and hydroxychavicol (8). Structures of the new compounds were elucidated with the help of 1D and 2D nuclear magnetic resonance spectroscopic data, and single crystal X-ray crystallography of compound 3. Compounds 2 and 8 inhibited Mycobacterium tuberculosis H37Ra with an IC50 of 11.3 (IC90 of 20.0g/mL) and 12.5g/mL, respectively. Correspondingly, molecular docking studies with Extra Precision Glide revealed a correlation between score and biological activity for these compounds to describe the molecular basis for the most significant SAR results.
}, keywords = {alanine racemase, Anisochilus verticillatus, antimycobacterial activity, diterpenes, Lamiaceae}, issn = {1478-6419}, doi = {10.1080/14786419.2015.1040990}, author = {Kulkarni, Roshan R. and Shurpali, Ketaki and Khedkar, Vijay M. and Puranik, Vedavati G. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000372856300024, title = {New understanding on regulating the crystallization and morphology of the beta-polymorph of isotactic polypropylene based on carboxylate-alumoxane nucleating agents}, journal = {Macromolecules}, volume = {49}, number = {6}, year = {2016}, month = {MAR}, pages = {2197-2205}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Carboxylate alumoxane derived from p-n-alkylbenzoic acids, where n-alkyl group changes from 2 to 8 carbon atoms, exhibits dual nucleating ability and nucleates isotactic polypropylene (iPP) into predominantly in the beta-phase under specific conditions. The selectivity of the beta-phase nucleation depends on the concentration of the nucleating agent, end melting temperature and cooling rate. The beta-phase obtained from p-n-alkylbenzoate-alumoxanes is compared with the beta-phase obtained from calcium pimelate (CaP), an efficient beta-phase selective, nucleating agent, using the results from DSC, WAXS, and SAXS analysis. The lamellar morphology of iPP nucleated with different nucleating agents crystallized at different crystallization temperatures (T-C) under controlled nonisothermal conditions are evaluated using SAXS analysis. The long period increases with increasing crystallization temperature and the long period of the beta-phase is always larger than that of the alpha-phase for a given crystallization temperature. Furthermore, the variation of long period with crystallization temperature clearly brings out two crystallization temperature ranges; the low temperature range and the high temperature range. However, the beta-phase shows a lower changeover temperature compared to that of the alpha-phase. The one-dimensional correlation analysis of the beta-phase shows that the thickness of the crystal lamellae (lc) increases with T-C and exhibits the low and high crystallization temperature ranges, while the thickness, of the amorphous layer (la) more or less remains constant. In-situ high temperature WAXS studies capture the beta-phase to the a-phase transition and the transformed material con-elates well with the lamellar thickness of the beta-phase. The morphological difference between the alpha- and the beta-phases are discussed and attributed to the differences in the impact properties and the melting temperature. This study clearly demonstrates that the lamellar morphology mainly depends on the T-C and not on the nature of the nucleating agents.
}, issn = {0024-9297}, doi = {10.1021/acs.macromol.5b02466}, author = {Mani, Mohan Raj and Chellaswamy, Ramesh and Marathe, Yogesh N. and Pillai, Vijayamohanan K.} } @article { ISI:000374351200005, title = {Next-generation ammonia pretreatment enhances cellulosic biofuel production}, journal = {Energy \& Environmental Science}, volume = {9}, number = {4}, year = {2016}, month = {FEB}, pages = {1215-1223}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A new liquid ammonia pretreatment methodology called Extractive Ammonia (EA) was developed to simultaneously convert native crystalline cellulose I-beta (CI) to a highly digestible cellulose IIII (CIII) allomorph and selectively extract up to B45\% of the lignin from lignocellulosic biomass with near-quantitative retention of all polysaccharides. EA pretreated corn stover yielded a higher fermentable sugar yield compared to the older Ammonia Fiber Expansion (AFEX) process while using 60\% lower enzyme loading. The EA process preserves extracted lignin functionalities, offering the potential to co-produce lignin-derived fuels and chemicals in the biorefinery. The single-stage EA fractionation process achieves high biofuel yields (18.2 kg ethanol per 100 kg untreated corn stover, dry weight basis), comparable to those achieved using ionic liquid pretreatments. The EA process achieves these ethanol yields at industrially-relevant conditions using low enzyme loading (7.5 mg protein per g glucan) and high solids loading (8\% glucan, w/v).
}, issn = {1754-5692}, doi = {10.1039/c5ee03051j}, author = {Sousa, Leonardo da Costa and Jin, Mingjie and Chundawat, Shishir P. S. and Bokade, Vijay V. and Tang, Xiaoyu and Azarpira, Ali and Lu, Fachuang and Avci, Utku and Humpula, James and Uppugundla, Nirmal and Gunawan, Christa and Pattathil, Sivakumar and Cheh, Albert M. and Kothari, Ninad and Kumar, Rajeev and Ralph, John and Hahn, Michael G. and Wyman, Charles E. and Singh, Seema and Simmons, Blake A. and Dale, Bruce E. and Balan, Venkatesh} } @article { ISI:000369072900005, title = {N-heterocyclic-carbene-catalyzed regioselective oxidative ring-opening of epoxides with aromatic aldehydes: a facile entry to alpha-acyloxyketones}, journal = {Asian Journal of Organic Chemistry}, volume = {5}, number = {1}, year = {2016}, month = {JAN}, pages = {48-51}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
A high-yielding synthesis of -acyloxyketones using a N-heterocyclic-carbene (NHC)-catalyzed, oxidative ring-opening of epoxides with aromatic aldehydes is described. This regioselective, oxidative process utilizes a N-bromosuccinimide (NBS)/DMSO combination as the oxidant system and Et3N as the base under mild reaction conditions.
}, keywords = {aldehydes, epoxides, halogen oxidants, N-heterocyclic carbenes, oxygen}, issn = {2193-5807}, doi = {10.1002/ajoc.201500355}, author = {Reddi, Rambabu N. and Gontala, Arjun and Prasad, Pragati K. and Sudalai, Arumugam} } @article {42696, title = {Nickel-catalyzed direct alkynylation of C(sp2)-H bonds of amides: an {\textquotedblleft}inverse sonogashira strategy{\textquotedblright} to ortho-alkynylbenzoic acids. just accepted}, journal = {Catalysis Science \& Technology}, volume = {6}, year = {2016}, month = {OCT}, pages = {1946-1951}, abstract = {
Nickel-catalyzed direct alkynylation of C(sp2){\textendash}H bonds of amides using commercially available, inexpensive 8-aminoquinoline as a removable bidentate directing group is described. The present ortho-alkynylation has a broad substrate scope, functional group tolerance and high regiocontrol, and can be scaled up. The efficiency and selectivity of this strategy provide sustainable routes to a diverse array of ortho-alkynylbenzoic acids under Ni(II)-catalyzed conditions.
}, doi = {10.1039/C5CY01299F}, author = {Landge, Vinod Gokulkrishna and Shewale, Chinmay H. and Jaiswal, Garima and Sahoo, Manoj Kumar and Midya, Siba Prasad and Balaraman, Ekambaram} } @article { ISI:000374790700031, title = {Nitrogen and sulphur co-doped crumbled graphene for the oxygen reduction reaction with improved activity and stability in acidic medium}, journal = {Journal of Materials Chemistry A}, volume = {4}, number = {16}, year = {2016}, month = {MAR}, pages = {6014-6020}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Non-precious dioxygen reduction electrocatalysts have attracted great attention nowadays for the development of stable, cost-effective proton exchange membrane fuel cells. In line with the development of non-precious electrocatalysts, here we report the synthesis of a platinum-free oxygen reduction electrocatalyst based on nitrogen and sulphur co-doped crumbled graphene with trace amounts of iron. The co-doped crumbled graphene structure was obtained by simple oxidative polymerisation of ethylenedioxythiophene in aqueous solution followed by an annealing process under an inert atmosphere. This new electrocatalyst displays improved oxygen reduction activity and electrochemical stability under acidic conditions. The half-cell reaction of the 1000 degrees C annealed polyethylenedioxythiophene (PF-1000) displays only 0.1 V overpotential in both the onset and half-wave potentials compared to state-of-the-art Pt/C in an acidic environment for the ORR. More importantly, the limiting current of PF-1000 clearly surpasses the limiting current displayed by Pt/C, indicating that the crumbled assembly of the graphene flakes helps the system to expose the active sites and the porous network of the material matrix ensures extended accessibility of active sites to the electrolyte and reagent. The dioxygen reduction kinetics of PF-1000 appear similar to those of Pt/C and the system accomplishes the reduction of the dioxygen molecule through the recommended four-electron reduction pathway. The improved activity and electrochemical stability of PF-1000 are mainly attributed to the enriched and well accessible active reaction centres such as graphitic nitrogen, sulphur, and iron coordination and the peculiar morphology of PF-1000. Further, a single cell evaluation of a membrane electrode assembly based on PF-1000 as the cathode catalyst delivered a maximum power density of 193 mW cm(-2) at a cell temperature of 60 degrees C using Nafion as the proton conducting membrane.
}, issn = {2050-7488}, doi = {10.1039/c6ta00073h}, author = {Bhange, Siddheshwar N. and Unni, SreeKuttan M. and Kurungot, Sreekumar} } @article {43020, title = {Nitrogen doping in oxygen-deficient Ca2Fe2O5: a strategy for efficient oxygen reduction oxide catalysts}, journal = {ACS Applied Materials and Interfaces}, volume = {8}, year = {2016}, month = {NOV}, pages = {34387{\textendash}34395}, doi = {10.1021/acsami.6b11718}, author = {Jijil, Chamundi P. and Lokanathan, Moorthi and Chithiravel, Sundaresan and Nayak, Chandrani and Bhattacharyya, Dibyendu and Jha, Shambhu Nath and Babu, P. D. and Kakade, Bhalchandra A. and Devi, R. Nandini} } @article { ISI:000371693900021, title = {No promoter left behind (NPLB): learn de novo promoter architectures from genome-wide transcription start sites}, journal = {Bioinformatics}, volume = {32}, number = {5}, year = {2016}, month = {MAR}, pages = {779-781}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {
Promoters have diverse regulatory architectures and thus activate genes differently. For example, some have a TATA-box, many others do not. Even the ones with it can differ in its position relative to the transcription start site (TSS). No Promoter Left Behind (NPLB) is an efficient, organism-independent method for characterizing such diverse architectures directly from experimentally identified genome-wide TSSs, without relying on known promoter elements. As a test case, we show its application in identifying novel architectures in the fly genome.
}, issn = {1367-4803}, doi = {10.1093/bioinformatics/btv645}, author = {Mitra, Sneha and Narlikar, Leelavati} } @article { ISI:000382652800001, title = {Non-catalytic deep desulphurization process using hydrodynamic cavitation}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {SEP}, pages = {Article Number: 33021}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
A novel approach is developed for desulphurization of fuels or organics without use of catalyst. In this process, organic and aqueous phases are mixed in a predefined manner under ambient conditions and passed through a cavitating device. Vapor cavities formed in the cavitating device are then collapsed which generate (in-situ) oxidizing species which react with the sulphur moiety resulting in the removal of sulphur from the organic phase. In this work, vortex diode was used as a cavitating device. Three organic solvents (n-octane, toluene and n-octanol) containing known amount of a model sulphur compound (thiophene) up to initial concentrations of 500 ppm were used to verify the proposed method. A very high removal of sulphur content to the extent of 100\% was demonstrated. The nature of organic phase and the ratio of aqueous to organic phase were found to be the most important process parameters. The results were also verified and substantiated using commercial diesel as a solvent. The developed process has great potential for deep of various organics, in general, and for transportation fuels, in particular.
}, issn = {2045-2322}, doi = {10.1038/srep33021}, author = {Suryawanshi, Nalinee B. and Bhandari, Vinay M. and Sorokhaibam, Laxmi Gayatri and Ranade, Vivek V.} } @article {43000, title = {Notch1-MAPK signaling axis regulates CD133+ cancer stem cell-mediated melanoma growth and angiogenesis}, journal = {Journal of Investigative Dermatology}, volume = {136}, year = {2016}, month = {DEC}, pages = {2462-2474}, abstract = {
Functional characterization and understanding of the intricate signaling mechanisms in stem-like cells is crucial for the development of effective therapies in melanoma. We have studied whether melanoma cells are phenotypically distinct and hierarchically organized according to their tumorigenic nature. We report that melanoma-specific CD133(+) cancer stem cells exhibit increased tumor-initiating potential, tumor-endothelial cell interaction, and lung metastasis. These cells are able to transdifferentiate into an endothelial-like phenotype when cultured under endothelial differentiation-promoting conditions. Mechanistically, Notch1 upregulates mitogen-activated protein kinase activation through CD133, which ultimately controls vascular endothelial growth factor and matrix metalloproteinase expression in CD133(+) stem cells leading to melanoma growth, angiogenesis, and lung metastasis. Blockade or genetic ablation of Notch1 and mitogen-activated protein kinase pathways abolishes melanoma cell migration and angiogenesis. Chromatin immunoprecipitation and reporter assays revealed that Notch1 intracellular domain regulates CD133 expression at the transcriptional level. Andrographolide inhibits Notch1 intracellular domain expression, Notch1 intracellular domaindependent CD133-mediated mitogen-activated protein kinase and activator protein-1 activation, and epithelial to mesenchymal-specific gene expression, ultimately attenuating melanoma growth and lung metastasis. Human malignant melanoma specimen analyses revealed a strong correlation between Notch1 intracellular domain, CD133, and p-p38 mitogen-activated protein kinase expression and malignant melanoma progression. Thus, targeting Notch1 and its regulated signaling network may have potential therapeutic implications for the management of cancer stem cell-mediated melanoma progression.
}, doi = {10.1016/j.jid.2016.07.024}, author = {Kumar, Dhiraj and Kumar, Santosh and Gorain, Mahadeo and Tomar, Deepti and Patil, Harshal S. and Radharani, Nalukurthi N. V. and Kumar, Totakura V. S. and Patil, Tushar V. and Thulasiram, Hirekodathakallu V. and Kundu, Gopal C.} } @article { ISI:000373739700035, title = {Novel tetrazoloquinoline-rhodanine conjugates: highly efficient synthesis and biological evaluation}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {9}, year = {2016}, month = {MAY}, pages = {2278-2283}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In search of new active molecules against Mycobacterium tuberculosis (MTB) H37Ra and Mycobacterium bovis BCG, a small focused library of rhodanine incorporated tetrazoloquinoline has been efficiently synthesized by using [HDBU][HSO4] acidic ionic liquid. The compound 3c found to be promising inhibitor of MTB H37Ra and M. bovis BCG characterized by lower MIC values 4.5 and 2.0 mu g/mL, respectively. The active compounds were further tested for cytotoxicity against HeLa, THP-1, A549 and PANC-1 cell lines using MTT assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Again, the synthesized compounds were found to have potential antifungal activity. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against a potential target Zmp1 enzyme of MTB H37Ra, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of in vitro and in silico study suggest that these compounds possess ideal structural requirement for the further development of novel therapeutic agents. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {antifungal, Antitubercular, Cytotoxicity, Docking study, Rhodanine derivatives}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.03.045}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Nawale, Laxman and Yeware, Amar and Sarkar, Dhiman and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Shingate, Bapurao B.} } @article {42941, title = {Novel tetrazoloquinoline-thiazolidinone conjugates as possible antitubercular agents: synthesis and molecular docking}, journal = {Medchemcomm}, volume = {7}, year = {2016}, month = {JUL}, pages = {1832-1848}, abstract = {
A novel approach for the synthesis of a new 4-thiazolidinone scaffold was developed by a one-pot three-component cyclocondensation of various tetrazolo quinoline aldehydes 1a-f, acid hydrazide 2a-c, and thioglycolic acid 3 in the presence of [DBUH].OAc] as a catalyst in high yields. All the conjugates were screened for their antimycobacterial activity against MTB H37Ra and M. bovis BCG strains, with the MIC values ranging from 0.99-13.55 mu mol mL(-1) and 0.14-20.11 mu mol mL(-1), respectively. The 4-thiazolidinone-incorporated tetrazoloquinoline derivatives 4a, 4d, 4g, 4j, 4m, and 4p were highly potent against MTB H37Ra and M. bovis BCG strains. The most active compounds were also evaluated for their cytotoxicity against MCF-7, A549, and HCT 116 cell lines and were found to be non-cytotoxic. Further, molecular docking studies into the active site of the InhA enzyme revealed a similar binding mode to the native ligand in the crystal structure, thereby helping us to understand the ligand-protein binding interaction and establish a structural basis for the inhibition of mycobacterium tuberculosis. The results suggest that the tetrazoloquinoline-thiazolidinone conjugates 4a, 4d, 4g, 4j, 4m, and 4p are promising antitubercular agents.
}, doi = {10.1039/c6md00278a}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Shingate, Bapurao B. and Nawale, Laxman and Sarkar, Dhiman and Khedkar, Vijay M.} } @article { ISI:000378303400056, title = {Nucleophilic nitration of arynes by sodium nitrite and its multicomponent reaction leading to double-functionalized arenes}, journal = {Organic Letters}, volume = {18}, number = {12}, year = {2016}, month = {JUN}, pages = {3010-3013}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An unusual nucleophilic nitration of arynes by NaNO2 in the presence of water has been developed, and the concept was further demonstrated to accomplish a double functionalization of arynes using a multicomponent reaction protocol to synthesize pharmaceutically important (2-nitrophenyl)methanol derivatives. Such substitution ortho to -NO2 is difficult by other means. The reaction conditions are mild and avoid the use of strong acids, expensive transition metal catalysts, and additives.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01384}, author = {Dhokale, Ranjeet A. and Mhaske, Santosh B.} } @article { ISI:000375445700073, title = {Observation of enhanced field emission properties of Au/TiO2 nanocomposite}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {122}, number = {5}, year = {2016}, month = {MAY}, pages = {560}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Simple and low-cost method of thermal annealing was used to decorate Gold (Au) nanoparticles on aligned TiO2 nanotubes. The aligned TiO2 nanotubes were decorated by Au nanoparticles with an average diameter of 9, 18 and 28 nm (aligned TiO2 nanotubes referred as specimen A and TiO2 nanotubes decorated by Au nanoparticles with average diameter of 9, 18 and 28 nm are referred as specimen B, C and D, respectively). The detailed characterization such as structural, morphological and elemental analysis of TiO2 and Au/TiO2 nanocomposite have been carried out using X-ray diffraction, field emission scanning electron microscope, transmission electron microscope, X-ray photoelectron spectroscopy and Raman spectroscopy. Furthermore, the meticulous comparative field emission characteristics of the aligned TiO2 nanotubes and Au/TiO2 nanocomposite have been performed. The turn-on field defined for the current density of 10 mu A/cm(2) has been found to be 3.9, 2.8, 3.2 and 3.7 V/mu m for specimen A, B, C and D, respectively. The observed low turn-on field of specimen B has been found to be superior than the other semiconducting nanocomposites reported in the literature. The emission current stability over a period of 3 h is found to be better for all the specimens. To the best of our knowledge, a systematic field emission study of Au/TiO2 nanocomposite has not been explored. The observed superior field emission study of Au/TiO2 nanocomposite indicates their possible use in micro/nanoelectronic devices.
}, issn = {0947-8396}, doi = {10.1007/s00339-016-0090-z}, author = {Patil, Girish P. and Bagal, Vivekanand S. and Suryawanshi, Sachin R. and Late, Dattatray J. and More, Mahendra A. and Chavan, Padmakar G.} } @article { ISI:000371479000046, title = {Observation of magnetic anomalies in one-step solvothermally synthesized nickel-cobalt ferrite nanoparticles}, journal = {Nanoscale}, volume = {8}, number = {9}, year = {2016}, month = {JAN}, pages = {5200-5213}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Magnetic anomalies corresponding to the Verwey transition and reorientation of anisotropic vacancies are observed at 151 K and 306 K, respectively, in NiCoFe2O4 nanoparticles (NPs) synthesized by a modified-solvothermal method followed by annealing. Cationic disorder and spherical shape induced non-stoichiometry suppress the Verwey transition in the as-synthesized NPs. On the other hand, reorientation of anisotropic vacancies is quite robust. XRD and electron microscopy investigations confirm a single phase spinel structure and the surface morphology of the as-synthesized NPs changes from spherical to octahedral upon annealing. Rietveld analysis reveals that the Ni2+ ions migrate from tetrahedral (A) to octahedral (B) sites upon annealing. The Mossbauer results show canted spins in both the NPs and the strength of superexchange is stronger in Co-O-Fe than Ni-O-Fe. Magnetic force images show that the as-synthesised NPs are single-domain whereas the annealed NPs are multi-domain octahedral particles. The FMR study reveals that both the NPs have a broad FMR line-width; and resonance properties are consistent with the random anisotropy model. The broad inhomogeneous FMR line-width, observation of the Verwey transition, tuning of the magnetic domain structure as well as the magnetic properties suggest that the NiCoFe2O4 ferrite NPs may be promising for future generation spintronics, magneto-electronics, and ultra-high-density recording media as well as for radar absorbing applications.
}, issn = {2040-3364}, doi = {10.1039/c5nr06791j}, author = {Datt, Gopal and Sen Bishwas, Mousumi and Raja, M. Manivel and Abhyankar, A. C.} } @article {43600, title = {Olfactory stimulation of apis cerana indica towards different doses of volatile constituents: SEM and EAG approaches}, journal = {Journal of Asia-Pacific Entomology}, volume = {19}, year = {2016}, month = {SEP}, pages = {847-859}, abstract = {Morphological and peripheral olfactory responses of antennal chemosensilla of Apis cerana indica, worker honeybee, to commonly occurring plant volatiles were recorded using SEM and EAG techniques, respectively. The antennae of A. cerana indica reveal the predominance of olfactory sensilla besides gustatory and mechanoreceptor cells. Ten different types of olfactory sensilla including sensilla basiconica, placodea type A and B, chaetica, coeloconica, coelocapitula, trichodea type A, B, C and D were reported. Of these, trichodea B and placodea A types were reported to be maximum. Responses to 47 commonly occurring plant volatiles (including 10 aromatic, 12 aliphatic, 04 green leaf volatile, 10 hydrocarbon monoterpene, 08 oxygenated monoterpenes and 03 sesquiterpenes compounds) were shown to elicit the response. Normalized EAG response, relative to the standard 1-hexanol, reveal significant differences between the chemicals and were concentration dependent. At 0.1 mg/mL dose, the largest amplitude was obtained with p-cymene (119.74 +/- 6.94) followed by cinnamaldehyde (97.07 +/- 4.94) and veratrol (92.99 +/- 7.82). Furthermore, at 1.0 mg/mL, maximum stimulation was reported with cinnamaldehyde (92.02 +/- 4.26) followed by phenethyl alcohol (86.02 +/- 2.63), benzyl alcohol (70.53 +/- 2.47), 2-heptanone (67.71 +/- 5.02) and 1-heptanol (67.56 +/- 2.8). Again, amplitude of the response was found to be maximum with cinnamaldehyde (115.59 +/- 6.73) followed by 1-heptanol (105.69 +/- 2.45) and citral (100.78 +/- 4.93) at 5.0 mg/mL, whereas, at 10.0 mg/mL, phenethyl alcohol (93.45 +/- 1.87) and 2-heptanone (93.14 +/- 1.85) showed highest stimulation followed by 2-pentanone (92.22 +/- 0.43). These documentations provide valuable information regarding how diversity in chemoreceptive antennal sensilla reveals better ability to sense a diversity of odors that are important cues to help honeybee distinguish among species of various flowering plants. (C) 2016 Korean Society of Applied Entomology, Taiwan Entomological Society and Malaysian Plant Protection Society. Published by Elsevier B.V. All rights reserved.}, doi = {10.1016/j.aspen.2016.07.014}, author = {Bhowmik, Biswanath and Lakare, Sachin and Sen, Ayalokiteswar and Bhadra, Kakali} } @article { ISI:000372856600027, title = {Omniphilic polymeric sponges by ice templating}, journal = {Chemistry of Materials}, volume = {28}, number = {6}, year = {2016}, month = {MAR}, pages = {1823-1831}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Sponges that absorb a large quantity of solvent relative to their weight, independent of the solvent polarity, represent useful universal absorbents for laboratory and industrial spills. We report the preparation of macroporous polymer sponges by ice templating of polyethylenimine aqueous solutions and their cross-linking in the frozen state. The as-prepared monolith is hydrophilic and absorbs over 30 fold its weight in water. Modification of this sponge using valeroyl chloride renders it omniphilic; viz., a modified sponge absorbs over 10-fold its dry weight of either water or hexane. Modification using palmitoyl chloride that has a longer chain length results in the preparation of a hydrophobic sponge with a water contact angle around 130, which retains its oleophilicity underwater. The solvent absorbed in these sponges can be simply squeezed out, and the sponges are stable to several hundred cycles of compression. The large pore sizes of these sponges allow rapid absorption of even high viscosity solvents such as pump oil. Finally, we demonstrate that these sponges are also able to separate apolar oils that are emulsified in water using surfactants. These high porosity sponges with controllable solvophilicity represent inexpensive, high performance universal absorbents for general solvent spills.
}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b04988}, author = {Chatterjee, Soumyajyoti and Sen Gupta, Sayam and Kumaraswamy, Guruswamy} } @article { ISI:000370104700016, title = {Optimization by box-behnken experimental design fur synthesis of n-hexyl levulinate biolubricant over hierarchical H-ZSM-5: an effort towards agricultural waste minimization}, journal = {Process Safety and Environmental Protection}, volume = {99}, year = {2016}, month = {JAN}, pages = {159-166}, publisher = {INST CHEMICAL ENGINEERS}, type = {Article}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {
The present study is devoted to develop efficient catalytic process for conversion of agricultural waste feedstock to value added chemicals. In this context, the n-hexyl levulinate, a renewable biolubricant was synthesized by esterification of biomass derived levulinic acid (LA) with n-hexanol in a closed batch system. Hierarchical-HZ-5 (modified H-ZSM-5) was used as a heterogeneous acid catalyst. There are no reports available on the synthesis of n-hexyl levulinate biolubricant using renewable levulinic acid. The process variables such as catalyst to LA ratio (X-1), n-hexanol to LA molar ratio (X-2), reaction time (X-3) and reaction temperature (X-4) were optimized by response surface methodology (RSM), using the Box-Behnken model. Analysis of variance was done to check the suitability and significance of the quadratic model. The yield of n-hexyl levulinate obtained was 97\% with 100\% selectivity at optimum process parameters. The RSM analysis predicted that catalyst to LA ratio is most significant (value of p \< 0.0001) and n-hexanol to LA molar ratio is least significant (value of p = 0.0064) process parameter in esterification. The quadratic model established was revealed to be suitable and statistically precise with correlation value (R-2) of 0.9837 to predict the yield of n-hexyl levulinate. (C) 2015 The Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
}, keywords = {Agricultural waste feedstock, Esterification, Hierarchical-HZ-5, n-Hexyl levulinate, Optimization, Response surface methodology}, issn = {0957-5820}, doi = {10.1016/j.psep.2015.11.003}, author = {Nandiwale, Kakasaheb Y. and Bokade, Vijay V.} } @article { ISI:000369771800068, title = {O-Quinone methides via oxone-mediated benzofuran oxidative dearomatization and their intramolecular cycloaddition with carbonyl groups: an expeditious construction of the central tetracyclic core of integrastatins, epicoccolide A, and epicocconigrone A}, journal = {Organic Letters}, volume = {18}, number = {3}, year = {2016}, month = {FEB}, pages = {612-615}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The intramolecular cycloaddition of o-quinone methides (o-QMs) with a carbonyl group has been envisaged and executed successfully in the context of constructing the complex and rare [6,6,6,6]-tetracyclic core found in the integrastatins, epicoccolide A, and epicocconigrone A. These transient o-QMs were generated easily from the oxidative dearomatization of the corresponding C2-(aryl)benzofuran by employing Oxone in acetone-water at rt. The subsequent cydoaddition with the carbonyl (or conjugated olefin) present on the C2-aryl group was spontaneous.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b03707}, author = {More, Atul A. and Ramana, Chepuri V.} } @article { ISI:000376695700026, title = {Organocatalytic route to enantioselective synthesis of ceramide trafficking inhibitor HPA-12}, journal = {Tetrahedron Letters}, volume = {57}, number = {22}, year = {2016}, month = {JUN}, pages = {2445-2447}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A new organocatalytic approach to the synthesis of ceramide trafficking inhibitor HPA-12 has been described starting from phenacyl bromide. The strategy involves chiral CBS reduction of gamma-ketoester and proline-catalyzed alpha-amination reaction of aldehyde followed by reduction as the key chirality inducing steps. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {alpha-Amination, CBS reduction, Ceramide, Organocatalytic, Proline}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2016.04.087}, author = {Lalwani, Komal G. and Sudalai, Arumugam} } @article {43057, title = {Organofunctionalization of vanadium(III) acetylacetonate complex over aminofunctionalized SBA-15 for sulfoxidation reactions}, journal = {Advanced Porous Materials}, volume = {4}, year = {2016}, month = {DEC}, pages = {212-218}, publisher = {American Scientific Publishers}, abstract = {
Recyclable SBA-15 supported aminopropyl vanadium(III) acetylacetonate heterogeneous catalyst has been synthesized by covalent anchoring of vanadium(III) acetylacetonate over aminofunctionalized SBA-15 via. post grafting method, V(III)(acac)3NH2@SBA-15. The synthesized catalyst was characterized by elemental analysis, ICP-OES, XRD, N2 sorption analysis, FT-IR, 29Si NMR spectroscopy, XPS, SEM and TEM. The percentage of nitrogen and vanadium in V(III)(acac)3NH2@SBA-15 was determined by elemental analysis and ICP-OES, respectively. XRD and N2 sorption analyses provide the information about the structural integrity (Mesoporous structure) and textural properties of all synthesized catalysts. The presence and degree of organofunctionalization on SBA-15 were monitored by FT-IR and 29Si NMR spectroscopy, respectively. Moreover, the oxidation state and the chemical environment of vanadium metal in V(III)(acac)3NH2@SBA-15 were revealed by XPS spectroscopy. Eventually, the morphology and topographic information of the synthesized catalysts were confirmed by SEM and TEM imaging. The synthesized catalyst was evaluated in oxidation of various sulfides and the results show that V(III)(acac)3NH2@SBA-15 catalyst exhibits higher conversion and selectivity towards the sulfoxidation reaction compared to the neat V(III)(acac)3 complex and blank reaction. The synthesized catalyst was recycled four times.
}, doi = {10.1166/apm.2016.1118}, author = {Lazar, Anish and Sanjush, K. S. and Singh, A. P.} } @article { ISI:000367335200014, title = {Orientation effect induced selective chelation of Fe2+ to a glutamic acid appended conjugated polymer for sensing and live cell imaging}, journal = {Journal of Materials Chemistry B}, volume = {4}, number = {2}, year = {2016}, month = {DEC}, pages = {299-308}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Intracellular detection and imaging of labile iron(II) pools is very important in tracking physiological processes that demand new and rapid sensing probes. In this report, we present a water soluble polymer based probe for the fluorescence sensing and live cell imaging of labile Fe2+ ions with high selectivity for the first time. The polymer probe was based on conjugated polyfluorene which was appended with amino acid (L-glutamic acid). The biocompatibility of the polymer was confirmed from an MTT assay which demonstrated \>90\% cell viability even at 300 mu g ml(-1) loading of polymers. Simple glutamic acid did not show selectivity towards any of the divalent ions. However, glutamic acid appended polyfluorene exhibited selective chelation to Fe2+ ions resulting in immediate sensing activity for Fe2+ ions in water and living cells with fluorescence turn-off response. The limit of detection of the PF-Ph-GA polymer probe was 46 (+/- 2) nM which indicated high sensitivity for Fe2+ over other ions reported in the literature. The polymer also exhibited improved sensing activity in the range of intracellular pH (5-9) which is advantageous in differentiating endogenous changes. The probe was successfully applied for the fluorescence imaging of intracellular and supplemented labile iron(II) pools in living HeLa cells.
}, issn = {2050-750X}, doi = {10.1039/c5tb02293b}, author = {Senthilkumar, T. and Parekh, Nimisha and Nikama, Shrikant B. and Asha, S. K.} } @article {45826, title = {Oxidation of linezolid by permanganate in acidic medium: Pd(II) catalysis, kinetics and pathways}, journal = {Progress in Reaction Kinetics and Mechanism}, volume = {41}, year = {2016}, month = {OCT}, pages = {245-257}, type = {Article}, abstract = {
The uncatalysed and Pd(II)-catalysed oxidation of linezolid (LNZ) by permanganate (PMGT) in acidic medium was carried out in the pH range from 3.0 to 6.0. The second order rate constants were found to decrease with increase in pH. The apparent second order rate constants for the uncatalysed reaction were, for example, k {\textquoteleft}{\textquoteright}(app)= 6.32 dm(3) mol(-1) at pH 3.0 and k {\textquoteleft}{\textquoteright}(app). = 2.64 dm(3) mol(-1) s(-1) at pH 6.0 and at 25 +/- 0.2 degrees C and for the Pd(II)-catalysed reaction the total apparent second order rate constants were k {\textquoteleft}{\textquoteright}(app) = 75.5 dm(3) mol(-1) s(-1) at pH 3.0 and k {\textquoteleft}{\textquoteright}(app). = 45.66 dm(3) mol(-1) s(-1) at pH 6.0 and at 25 +/- 0.2 degrees C. The rate constant of the Pd(II)-catalysed reaction was thus ten times higher than for the uncatalysed reaction. The oxidation products of the reaction were identified using high resolution LC-MS. The reaction progresses via formation of a Pd-LNZ complex, which reacts with acidic PMGT to form an intermediate compound, which then decomposes to give oxidised products. The dependence of the rate of reaction on various parameters, such as pH, temperature, [LNZ], [PMGT], [Pd(II)], dielectric constant and ionic strength were studied and activation parameters for the reaction were evaluated and discussed.
}, issn = {1468-6783}, doi = {10.3184/146867816X14696298762238}, author = {Kulkarni, Raviraj M. and Hanagadakar, Manjunath S. and Malladi, Ramesh S. and Santhakumari, B. and Nandibewoor, Sharanappa T.} } @article {42843, title = {Oxidative intramolecular 1,2-amino-oxygenation of alkynes under Au(I)/Au(III)-catalysis: discovery of pyridinium-oxazole dyad as novel lonic fluorophore}, journal = {Angewandte Chemie International Edition}, year = {2016}, month = {JAN}, doi = {10.1002/anie.201609335R1}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh S. and Rajamohanan, Pattuparambil R. and Kulkarni, Prasad P. and Patil, Nitin T.} } @article {45829, title = {Oxidative transformation of antiretroviral drug zidovudine during water treatment with permanganate: reaction kinetics and pathways}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {FEB}, pages = {24999-25010}, type = {Article}, abstract = {
The presence of the pharmaceutical substances in the water has been reported by many studies and has attracted attention across the world. The mechanistic insight into oxidation of antiretroviral drug zidovudine (ZDV) by potassium permanganate was investigated between the pH values 3.0 and 9.0. The pH-dependent second-order rate constants were determined and rate constants decreased with an increase in pH. The products of the reaction were identified by high-resolution mass spectrometry. A probable mechanism is proposed which involves the formation of an intermediate complex between permanganate and ZDV, which further undergoes degradation in subsequent fast steps to form various oxidized products. The different parameters like effect of initially added products, solvent polarity, ionic strength, temperature, and pH on the rate of the oxidative degradation of ZDV by permanganate were systematically studied. The various activation parameters were determined from the effect of variation in temperature on the oxidative degradation of ZDV by permanganate in acidic medium and discussed in detail.
}, keywords = {Degradation, kinetics, Mechanism, Permanganate, Zidovudine}, issn = {1944-3994}, doi = {10.1080/19443994.2016.1149110}, author = {Kulkarni, Raviraj M. and Bhamare, Vijaykumar S. and Santhakumari, B.} } @article { ISI:000381302400017, title = {P4VP and oligo(phenylenevinylene)-perylenebisimide mixed donor-acceptor supramolecular comb polymer complexes with improved charge carrier mobility}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {54}, number = {15}, year = {2016}, month = {AUG}, pages = {2403-2412}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Random donor-acceptor (D-A) supramolecular comb polymers were formed when hydroxyl functionalized donor and acceptor small molecules based on Oligo(phenylenevinylene) (named OPVCN-OH) and Perylenebisimide (named UPBI-PDP), respectively, were complexed with Poly(4-vinyl pyridine) (P4VP). A series of random D-A supramolecular comb polymers were formed by varying the ratios of UPBI-PDP and OPVCN-OH with P4VP. A 100\% P4VP-donor polymer complex [P4VP(OPV1.00)] and a 100\% P4VP-acceptor polymer complex [P4VP(UPBI1.00)] were also synthesized and characterized. Complex formation was confirmed by FT-IR and H-1 NMR spectroscopy. Solid state structural studies carried out using small angle X-ray scattering and wide angle X-ray diffraction experiments revealed altered packing of the D and A molecules in the complexes. Transmission electron microscopy images showed lamellar structures in the \<10 nm scale for the P4VP(OPV1.00), P4VP(UPBI1.00), and mixed P4VP (D-A) complexes. The effect of the nanoscopic D-A self-assembly on the bulk mobility of the materials was probed using SCLC measurements. The mixed D-A random complexes exhibited ambipolar charge transport characteristics with higher values for the average bulk hole mobility estimate. P4VP(OPV0.25+UPBI0.75) exhibited an average hole mobility in the order of 10(-2) cm(2) V-1 s(-1) and electron mobility 10(-5) cm(2) V-1 s(-1). (C) 2016 Wiley Periodicals, Inc.
}, keywords = {donor-acceptor, oligo(phenylenevinylene), P4VP, Perylenebisimide, Self-assembly, structure-property relations, supramolecular comb polymer, supramolecular structures}, issn = {0887-624X}, doi = {10.1002/pola.28115}, author = {Saibal, B. and Chithiravel, Sundaresan and Asha, S. K.} } @article {42854, title = {Palladium supported on fluorite structured redox CeZrO4-δ for heterogeneous suzuki coupling in water: a green protocol}, journal = {Chemistry Select}, volume = {1}, year = {2016}, month = {JUL}, pages = {2673{\textendash}2681}, abstract = {
Pd on redox CeZrO4-δ catalysts was prepared, characterized and their activity was evaluated for Suzuki coupling reaction in water under reflux condition. Fresh and reduced form of 5 \% Pd (R-Pd5) on CeZrO4-δ catalyst exhibited 100 \% conversion in 2.5 and 1 h, respectively. R-Pd5 shows significant activity for wide range of substrate compatibility and for less reactive aryl bromides too. The mechanistic investigations proved the important role of redox CeZrO4-δ support on the catalytic activity. It was observed that the presence of oxygen vacancy along with Ce3+ enhances the activity. 1 wt \% Pd photodeposited on pre-reduced CeZrO4-δ support requires a mere 20 min. for 100 \% conversion of Suzuki coupling. Effect of metal dispersion and particle size on catalytic activity is also discussed. High Pd dispersion with small particle size (4{\textpm}1 nm), particle size preservation after reaction, strong metal-support interaction and no leaching fully suggest the heterogeneous mechanism is operative for Suzuki coupling on 1 wt \% Pd photodeposited on reduced CeZrO4-δ support. Present work hints the possibility of achieving high conversion for Suzuki reaction with very small amount of Pd through better dispersion by taking advantage of redox support and in water.
}, doi = {10.1002/slct.201600655}, author = {Burange, Anand S. and Shukla, Rakesh and Tyagi, Avesh Kumar and Gopinath, Chinnakonda S.} } @article { ISI:000380182400035, title = {Palladium-catalyzed internal nucleophile-assisted hydration-olefin insertion cascade: diastereoselective synthesis of 2,3-dihydro-1H-inden-1-ones}, journal = {Organic Letters}, volume = {18}, number = {14}, year = {2016}, month = {JUL}, pages = {3442-3445}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A novel palladium-catalyzed hydration-olefin insertion cascade assisted by internal nucleophiles was developed for the synthesis of biologically significant 2,3-dihydro-1H-inden-1-ones under mild conditions. A detailed mechanistic study revealed that the assistance of the internal nucleophiles is crucial to trigger the cascade reaction via nucleopalladation of the alkyne moiety. The overall reaction is equivalent to regioselective hydration of alkynes followed by intramolecular Michael addition. This highly efficient and 100\% atom-economical domino sequence afforded cis-2,3-disubstituted 2,3-dihydro-1H-inden-1-ones in excellent yields (up to 99\%) with complete diastereoselectivity.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01623}, author = {Vinoth, Perumal and Nagarajan, Subbiah and Maheswari, C. Uma and Sudalai, Arumugam and Pace, Vittorio and Sridharan, Vellaisamy} } @article {43619, title = {Parasitism by Chelonus blackburni (Hymenoptera) affects food consumption and development of Helicoverpa armigera (Lepidoptera) and cellular architecture of the midgut}, journal = {Journal of Asia-Pacific Entomology}, volume = {19}, year = {2016}, month = {MAR}, pages = {65-70}, abstract = {Biological control agents are vital components of an integrated pest management strategy, and this is frequently referred to as natural control. Natural enemies of insect pests include predators, parasitoids, and pathogens. Among them, a parasitoid, Chelonus blackburni (Cameron), was found to be the best biological control agent for the polyphagous pest, Helicoverpa armigera (Hubner). C. blackburni alters the feeding performance of H. annigera larvae upon parasitism and as a result severely affects growth and development. Moreover, it shortens the feeding period of H. armigera and increases mortality. Furthermore, total hemocyte count (THC) was significantly decreased in parasitized larvae than control. Parasitized H. armigera had 26\% less number of blood cells compared to healthy larvae. Histological studies showed that the structure of midgut of H. annigera is drastically affected by C. blackburni leading to reduced food consumption, which ultimately led to larval death. The present study provides an insight to changes involved in H. annigera due to parasitism by C blackburni, a parasite that could be used as an effective biocontrol agent to manage H. armigera. (C) 2015 Korean Society of Applied Entomology, Taiwan Entomological Society and Malaysian Plant Protection Society. Published by Elsevier B.V. All rights reserved.}, doi = {10.1016/j.aspen.2015.11.005}, author = {Sanap, Yogita and Dawkar, Vishal V. and Giri, Ashok P. and Sen, Avalokiteswar and Pandit, Radhakrishna S.} } @article {42606, title = {Passive microrheology in the effective time domain: analysing time dependent colloidal dispersions}, journal = {Soft Matter}, volume = {12}, year = {2016}, month = {AUG}, pages = {8167-8176}, abstract = {
We studied the aging dynamics of an aqueous suspension of LAPONITE (R), a model time dependent soft glassy material, using a passive microrheology technique. This system is known to undergo physical aging during which its microstructure evolves progressively to explore lower free energy states. Optical microscopy is used to monitor the motion of micron-sized tracer probes embedded in a sample kept between two glass plates. The mean square displacements (MSD) obtained from the motion of the tracer particles show a systematic change from a purely diffusive behavior at short aging times to a subdiffusive behavior as the material ages. Interestingly, the MSDs at all the aging times as well as different LAPONITE (R) concentrations superpose remarkably to show a time-aging time master curve when the system is transformed from the real time domain to the effective time domain, which is obtained by rescaling the material clock to account for the age dependent relaxation time. The transformation of the master curve from the effective time domain to the real time domain leads to the prediction of the MSD in real time over a span of 5 decades when the measured data at individual aging times are only over 2 decades. Since the MSD obtained from microrheology is proportional to the creep compliance of a material, by using the Boltzmann superposition principle along with the convolution relation in the effective time domain, we predict the stress relaxation behavior of the system in real time. This work shows that the effective time approach applied to microrheology facilitates the prediction of long time creep and relaxation dynamics of a time dependent soft material by carrying out short time experiments at different aging times.
}, doi = {10.1039/c6sm00829a}, author = {Vyas, Bhavna M. and Orpe, Ashish V. and Kaushal, Manish and Joshi, Yogesh M.} } @article { ISI:000368754700011, title = {Pb2+-N bonding chemistry: recycling of polyaniline-pb nanocrystals waste for generating high-performance supercapacitor electrodes}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {2}, year = {2016}, month = {JAN}, pages = {911-918}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Understanding of Pb-N bonding chemistry is not only fundamentally important in the view of relativistic inert-pair effect but also is important for therapeutic as well as environmental applications. In the present study, an unusual reactivity of N-containing pi-conjugated polyaniline emeraldine base (EB) toward aqueous Pb2+ ions has been identified. In the course of sequestering Pb2+ ions by EB, cuboid-shaped nanocrystals were isolated. Synchrotron-based X-ray absorption near-edge structure and extended X-ray absorption fine structure techniques were employed to understand Pb-N bonding chemistry in EB-Pb nanocrystals. The adopted methodology of slow exposure of HCl vapor to EB-Pb nanomaterial facilitated the isolation of polyaniline emeraldine-salt (ES) with unique morphological patterns, porosity and electrical conductivity. The electrochemical device based on recycled ES showed high-capacitance value (similar to 606 F/g @1 A/g and similar to 663 F/g @10 mV/s), high-energy density (similar to 14.8 Wh/kg at power density of similar to 663 W/kg) and excellent-cycling stability (only similar to 15\% degradation after 1100 continued cycles at current density of 5 A/g). Notably, ES materials prepared directly from EB and upon exposing HNO3 vapor exhibited greatly inferior device performance.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b11217}, author = {Jha, Plawan Kumar and Singh, Santosh K. and Gatla, Suresh and Mathon, Olivier and Kurungot, Sreekumar and Ballav, Nirmalya} } @article { ISI:000369203800013, title = {Pd-catalyzed reductive cleavage of N-N bond in dibenzyl-1-alkylhydrazine-1,2-dicarboxylates with PMHS: application to a formal enantioselective synthesis of (R)-sitagliptin}, journal = {Tetrahedron Letters}, volume = {57}, number = {6}, year = {2016}, month = {FEB}, pages = {684-687}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
An environmentally benign approach involving Pd-catalyzed reductive N-N bond cleavage in dibenzyl-1-alkylhydrazine-1,2-dicarboxylates leading to the synthesis of N-(tert-butoxy)carbamates under very mild conditions has been described. PMHS serves as an inexpensive source of hydride in MeOH/deionized H2O medium. This protocol has been successfully applied in the formal synthesis of (R)-sitagliptin, an anti-diabetic drug. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {anti-Diabetic, Environmentally benign, Hydrazine, PMHS, Reductive cleavage}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.12.116}, author = {Dey, Soumen and Gadakh, Sunita K. and Ahuja, Brij Bhushan and Kamble, Sanjay P. and Sudalai, Arumugam} } @article { ISI:000381236300089, title = {Pd(II)-catalyzed intramolecular tandem olefin amidation/C-H activation protocol for the syntheses of the protoberberine class of natural products}, journal = {Organic Letters}, volume = {18}, number = {15}, year = {2016}, month = {AUG}, pages = {3862-3865}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A Pd(II)-catalyzed intramolecular tandem olefin amidation/C-H activation protocol has been developed for the synthesis of an 8-oxoprotoberberine core. It was successfully applied for the syntheses of (+/-)-8-oxocanadine, (+/-)-8-oxotetrahydropalmitine, and (+/-)-8-oxostylopine, which can be easily converted to the respective protoberberine natural products. The short synthetic route demonstrated would be useful for the synthesis of a large number of natural products and their analogues featuring a protoberberine scaffold.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01868}, author = {Garad, Dnyaneshwar N. and Mhaske, Santosh B.} } @article {45868, title = {Peeping into genomic architecture by re-sequencing of Ochrobactrum intermedium M86 strain during laboratory adapted conditions}, journal = {Genomics Data}, volume = {8}, year = {2016}, month = {JUN}, pages = { 72-76}, type = {Article}, abstract = {Advances in de novo sequencing technologies allow us to track deeper insights into microbial genomes for restructuring events during the course of their evolution inside and outside the host. Bacterial species belonging to Ochrobactrum genus are being reported as emerging, and opportunistic pathogens in this technology driven era probably due to insertion and deletion of genes. The Ochrobactrum intermedium M86 was isolated in 2005 from a case of non-ulcer dyspeptic human stomach followed by its first draft genome sequence in 2009. Here we report re-sequencing of O. intermedium M86 laboratory adapted strain in terms of gain and loss of genes. We also attempted for finer scale genome sequence with 10 times more genome coverage than earlier one followed by comparative evaluation on Ion PGM and Illumina MiSeq. Despite their similarities at genomic level, lab-adapted strain mainly lacked genes encoding for transposase protein, insertion elements family, phage tail-proteins that were not detected in original strain on both chromosomes. Interestingly, a 5 kb indel was detected in chromosome 2 that was absent in original strain mapped with phage integrase gene of Rhizobium spp. and may be acquired and integrated through horizontal gene transfer indicating the gene loss and gene gain phenomenon in this genus. Majority of indel fragments did not match with known genes indicating more bioinformatic dissection of this fragment. Additionally we report genes related to antibiotic resistance, heavy metal tolerance in earlier and re-sequenced strain. Though SNPs detected, there did not span urease and flagellar genes. We also conclude that third generation sequencing technologies might be useful for understanding genomic architecture and re-arrangement of genes in the genome due to their ability of larger coverage that can be used to trace evolutionary aspects in microbial system. }, doi = {10.1016/j.gdata.2016.04.003}, author = {Gohil, K. N. and Neurgaonkar, P. S. and Paranjpe, A. and Dastager, S. G. and Dharne, M. S.} } @article { ISI:000367612000010, title = {Penicillin acylases revisited: importance beyond their industrial utility}, journal = {Critical Reviews In Biotechnology}, volume = {36}, number = {2}, year = {2016}, month = {MAR}, pages = {303-316}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {
It is of great importance to study the physiological roles of enzymes in nature; however, in some cases, it is not easily apparent. Penicillin acylases are pharmaceutically important enzymes that cleave the acyl side chains of penicillins, thus paving the way for production of newer semi-synthetic antibiotics. They are classified according to the type of penicillin (G or V) that they preferentially hydrolyze. Penicillin acylases are also used in the resolution of racemic mixtures and peptide synthesis. However, it is rather unfortunate that the focus on the use of penicillin acylases for industrial applications has stolen the spotlight from the study of the importance of these enzymes in natural metabolism. The penicillin acylases, so far characterized from different organisms, show differences in their structural nature and substrate spectrum. These enzymes are also closely related to the bacterial signalling phenomenon, quorum sensing, as detailed in this review. This review details studies on biochemical and structural characteristics of recently discovered penicillin acylases. We also attempt to organize the available insights into the possible in vivo role of penicillin acylases and related enzymes and emphasize the need to refocus research efforts in this direction.
}, keywords = {beta-lactam, choloyl glycine, in vivo role, Ntn hydrolases, pathogenicity, quorum sensing, regulation, signalling}, issn = {0738-8551}, doi = {10.3109/07388551.2014.960359}, author = {Avinash, Vellore Sunder and Pundle, Archana Vishnu and Ramasamy, Sureshkumar and Suresh, Cheravakkattu Gopalan} } @article { ISI:000378715600002, title = {Pharmaceutical cocrystals: walking the talk}, journal = {Chemical Communications}, volume = {52}, number = {54}, year = {2016}, month = {MAY}, pages = {8342-8360}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Pharmaceutical cocrystals belong to a sub-class of cocrystals wherein one of the components is a drug molecule (or an active pharmaceutical ingredient, API) and the second is a benign food or drug grade additive (generally regarded as safe, GRAS). The two components are hydrogen-bonded in a fixed stoichiometric ratio in the crystal lattice. In the past decade, pharmaceutical cocrystals have demonstrated significant promise in their ability to modify the physicochemical and pharmacokinetic properties of drug substances, such as the solubility and dissolution rate, bioavailability, particle morphology and size, tableting and compaction, melting point, physical form, biochemical and hydration stability, and permeability. In this feature review, we highlight some prominent examples of drug cocrystals which exhibit variable hardness/softness and elasticity/plasticity depending on coformer selection, improvement of solubility and permeability in the same cocrystal, increase of the melting point for solid formulation, enhanced color performance, photostability and hydration stability, and a longer half-life. Cocrystals of flavanoids and polyphenols can make improved pharmaceuticals and also extend to the larger class of nutraceuticals. The application of crystal engineering to assemble ternary cocrystals expands this field to drug-drug cocrystals which may be useful in multi-drug resistance, mitigating side effects of drugs, or attenuating/enhancing drug action synergistically by rational selection. The advent of new techniques for structural characterization beyond the standard X-ray diffraction will provide a better understanding of drug phases which are at the borderline of crystalline-amorphous nature and even newer opportunities in the future.
}, issn = {1359-7345}, doi = {10.1039/c6cc02943d}, author = {Bolla, Geetha and Nangia, Ashwini} } @article { ISI:000369603400016, title = {Phenothiazine and carbazole substituted pyrene based electroluminescent organic semiconductors for OLED devices}, journal = {Journal of Materials Chemistry C}, volume = {4}, number = {5}, year = {2016}, month = {DEC}, pages = {1009-1018}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Due to their easy availability, low cost and opportunities for exploiting reactions of bromo substituents, 1,3,6,8-tetrabromopyrene has attracted major attention in the organic electronics community for designing and constructing novel classes of pyrene based organic semiconducting functional materials. In the present work, 1,3,6,8-tetrabromo pyrene was transformed into the corresponding tetrasubstituted carbazole and phenothiazine derivatives using the classical Suzuki coupling reaction. These newly synthesized materials with a carbazole substituent (PY-CA) and a phenothiazine substituent (PY-PH) were characterised thoroughly and were successfully used as an active light-emitting layer in organic light emitting diodes which resulted in blue and green emission with promising device performance. PY-CA exhibited the maximum brightness at around 2500 cd m(-2) and the power efficiency of 1.5 lm W-1 while that of PY-PH exhibited 2116 cd m(-2) and 0.45 lm W-1 respectively.
}, issn = {2050-7526}, doi = {10.1039/c5tc03690a}, author = {Salunke, Jagadish K. and Wong, F. L. and Feron, Krishna and Manzhos, Sergei and Lo, Ming Fai and Shinde, Durgaprasad and Patil, Abhijeet and Lee, C. S. and Roy, V. A. L. and Sonar, Prashant and Wadgaonkar, Prakash P.} } @article { ISI:000369533400015, title = {Phenylacetylene hydrogenation on Au@Ni bimetallic core-shell nanoparticles synthesized under mild conditions}, journal = {Catalysis Science \& Technology}, volume = {6}, number = {3}, year = {2016}, month = {JAN}, pages = {708-712}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The synthesis of Au@Ni bimetallic core-shell nanoparticles through an energy efficient (lower temperature) route in oleylamine following a sequential reduction strategy is reported. The method is found to be useful for the synthesis of a very thin nickel shell (2 nm) over a gold core (15 nm). Synergistic effects are observed in catalyzing phenylacetylene hydrogenation under different solvent conditions.
}, issn = {2044-4753}, doi = {10.1039/c5cy02005k}, author = {Vysakh, A. B. and Lazar, Anish and Yadukiran, V. and Singh, A. P. and Vinod, C. P.} } @article { ISI:000368554000002, title = {Photocatalytic degradation of ciprofloxacin center dot HCl using Aeroxide (R) P-25 TiO2 photocatalyst: comparative evaluation of solar and artificial radiation}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {55}, number = {1}, year = {2016}, month = {JAN}, pages = {16-22}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {
The photocatalytic degradation of ciprofioxacin (CFX) has been investigated using Aeroxide (R) P-25 TiO2 photocatalyst in the presence of solar as well as artificial radiation. The effects of different operating parameters like initial concentration of CFX, catalyst loading, pH of solution and effect of co-existing ions on photocatalytic degradation of CFX have been investigated with a view to establish the optimum operating conditions. It is observed that as the initial concentration of CFX increases, the rate of photocatalytic degradation decreases. Optimum catalyst loading is observed at 1 g L-1 for CFX concentration of 100 mg L-1. Over the pH range 3-11, maximum degradation rate occurs at pH 9. The mechanism and intermediates formed during the photocatalytic degradation of CFX are discussed based on UPLC-MS/MS analysis. From kinetic studies, it is found that the photocatalytic degradation obeys pseudo-first order kinetics. The degradation rate constant using solar radiation is about 1.7 times higher than that under artificial radiation.
}, keywords = {Advanced oxidation process, Aeroxide (R) P-25 TiO2, Artificial radiation, Ciprofloxacin center dot HCl, Degradation, Pharmaceutical micropollutants, Photocatalysis, Solar radiation}, issn = {0376-4710}, author = {Shetty, Rohit and Kothari, Gaurav and Tambe, Amruta S. and Kulkarni, Bhaskar D. and Kamble, Sanjay P.} } @article { ISI:000374195700036, title = {Photocatalytic degradation of methylene blue on Sn-doped titania nanoparticles synthesized by solution combustion route}, journal = {Materials Research Bulletin}, volume = {76}, year = {2016}, month = {APR}, pages = {264-272}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Series of tin-doped titania nanoparticles with varying tin content in the range 0-20 mol\% have been prepared by solution combustion synthesis route using urea as a fuel. The structure, surface morphology and optical activity of Sn-doped TiO2 nanoparticles were investigated by various analytical techniques such as powder XRD, SEM, TEM, UV-vis and N-2 adsorption study. The crystalline structures of the various phases were studied by rietveld refinement of the XRD data. The photocatalytic performance of Sn-doped titania nanoparticles were tested for degradation of MB under UV and visible light irradiation. The results reveal that the photocatalytic activity increases with increase in tin content which may be due to decrease in crystallite size with increase in surface area. The doping of Sn into TiO2 lattice hinders the recombination of electrons and holes thus enhance the quantum efficiency of photocatalytic reaction. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Catalytic properties, composites, Nanostructures, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2015.12.041}, author = {Bhange, P. D. and Awate, S. V. and Gholap, Ramkrishna S. and Gokavi, G. S. and Bhange, Deu S.} } @article { ISI:000372684900009, title = {Photocatalytic H-2 evolution from water-methanol mixtures on InGaO3(ZnO)(m) with an anisotropic layered structure modified with CuO and NiO cocatalysts}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {415}, year = {2016}, month = {MAY}, pages = {82-88}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
InGaO3(ZnO)(m) series of oxides is found to be active for photocatalytic H-2 evolution from water-methanol mixtures. The structure of this series is highly anisotropic with InO6 octahedral layers sandwiching Ga/ZnOn polyhedra. The structural anisotropy in which the conducting layer is spatially separated from the charge generation sites may help in suppressing charge recombination and consequently enhance catalytic activity. The band gaps of the series obtained from absorption spectra are above 3.6 eV and hence they are not active under visible light irradiation. H-2 evolution is considerably enhanced under UV light on employing NiO as cocatalyst due to facile electron transfer from InGaO3(ZnO)(m). to NiO. However, when CuO is used as cocatalyst, visible light activity could be brought out. Due to the very low band gap of CuO, it can act as a sensitizer absorbing in visible light. The band positions become conducive for H-2 evolution due to band alignments consequent to electron accumulation in CuO conduction band. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {InGaO3(ZnO)(m), photocatalytic water splitting, visible light, XPS, XRD}, issn = {1381-1169}, doi = {10.1016/j.molcata.2016.01.018}, author = {Narendranath, Soumya B. and Thekkeparambil, Saranya V. and George, Leena and Thundiyil, Shibin and Devi, R. Nandini} } @article { ISI:000371021900071, title = {Photochromic metal-organic frameworks for inkless and erasable printing}, journal = {Chemical Science}, volume = {7}, number = {3}, year = {2016}, month = {DEC}, pages = {2195-2200}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Inkless and erasable printing is the key solution towards a more sustainable paper industry, in terms of reducing paper wastages and the associated environmental hazards from waste paper processing. However, only a few cases have been reported in the literature where inkless printing has been tested in some practical systems. In an attempt to address this solution, we used photochromic metal-organic frameworks (MOFs) and tested their capability as inkless and erasable printing media. The printing was performed using sunlight as the light source on MOF-coated papers. The resulting printing had good resolution and stability, and was capable of being read both by the human eye and smart electronic devices; furthermore, the paper could be reused for several cycles without any significant loss in intensity. Interestingly, different coloured printing with a similar efficiency was achieved by varying the structure of the MOF.
}, issn = {2041-6520}, doi = {10.1039/c5sc04450b}, author = {Garai, Bikash and Mallick, Arijit and Banerjee, Rahul} } @article { ISI:000370900600019, title = {Photoluminescent tetrahedral d(10)-metal Schiff base complexes exhibiting highly ordered mesomorphism}, journal = {Polyhedron}, volume = {105}, year = {2016}, month = {FEB}, pages = {150-158}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A series of four-coordinate d(10)-metal complexes of the type [ML2] {M = Zn, Cd, Hg; L = 4-nitro-2-((octadecylimino)methyl)phenol}, incorporating a new N-alkylated bidentate [N,O]-donor salicylaldimine Schiff base ligand, has been synthesized and characterized by elemental analyses, FT-IR, UV-Vis, H-1 NMR and FAB-mass spectroscopies. The ligand is non-mesomorphic and devoid of any photoluminescence. The zinc(II) and cadmium(II) complexes displayed highly ordered mesophases reminiscent of soft crystals. The phases have been characterized by polarizing optical microscopy (POM), differential scanning calorimetry (DSC) and powder X-ray diffraction (PXRD) studies. The complex of mercury(II) decomposed prior to melting. An orthogonal symmetry with a {\textquoteleft}herringbone{\textquoteright} array for the zinc complex and a primitive triclinic symmetry (p(1)) for the cadmium complex, respectively, has been proposed. The complexes exhibited fluorescence at room temperature, both in the solution and in the solid state, with emission maxima in the blue region. Density functional theory (DFT) calculations carried out using the GAUSSIAN 09 program at the B3LYP level revealed a distorted tetrahedral geometry around the metal center in all the complexes. Natural bond orbital (NBO) analysis suggested appreciable charge transfer from the ligand to the metal center in the complexes. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Density functional theory, Luminescence, Mesophase, Schiff base, X-ray diffraction}, issn = {0277-5387}, doi = {10.1016/j.poly.2015.11.053}, author = {Chakraborty, Sutapa and Purkayastha, Debraj Dhar and Das, Gobinda and Bhattacharjee, Chira R. and Mondal, Paritosh and Prasad, S. Krishna and Rao, D. S. Shankar} } @article { ISI:000375611100047, title = {Photoresponsive assemblies of linear-dendritic copolymers containing azobenzene in the dendron interior: the effect of the dendron structure on dye encapsulation and release}, journal = {RSC Advances}, volume = {6}, number = {49}, year = {2016}, month = {APR}, pages = {43163-43170}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Hydrophobic dendrons with different numbers and positions of azobenzenes as well as different groups benzyl and dodecyl, on the periphery were synthesised and attached to poly(ethylene glycol) using copper-catalysed azide-alkyne cycloaddition to obtain linear-dendritic copolymers. Self-assembly of the polymers in aqueous solution was characterised using dynamic light scattering (DLS), transmission electron microscopy (TEM) and critical micelle concentration (cmc). Formation of H-aggregates during micellisation was shown for polymers with a higher number of azobenzene units. Photoisomerisation of azobenzene in the assemblies was studied and the rate constant of thermal photoisomerisation was calculated. Release of hydrophobic dye Nile red upon photoisomerisation of azobenzene occurred without disruption of micellar aggregates. Dye release varied with the pathway - thermal or visible light irradiation, followed for cis-trans isomerisation. The encapsulation capacity of the micelles and extent of dye release in either pathway were found to be influenced by the dendron structure. A polymer with a lower number of azobenzenes and aliphatic periphery on the dendron showed significantly different behaviour than polymers with a larger number of aromatic units.
}, issn = {2046-2069}, doi = {10.1039/c6ra02250b}, author = {Kalva, Nagendra and Basutkar, Nitin B. and Ambade, Ashootosh V.} } @article { ISI:000372425600097, title = {Physicochemical and antimicrobial photodynamic chemotherapy of unsymmetrical indium phthalocyanines alone or in the presence of magnetic nanoparticles}, journal = {New Journal of Chemistry}, volume = {40}, number = {3}, year = {2016}, month = {JAN}, pages = {2710-2721}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An AB(3) type photosensitiser, consisting of 4-pyridylsulfanyl units (denoted as B-3) and one aminophenoxy (denoted as A) group (complex 3) was synthesized. Complex 3 was then quaternized to form complex 4. The aminophenoxy substituent of complex 3 was used for the formation of the amide linkage with the carboxylic functionalised magnetic nanoparticles. Complexes 3 and 4 and their conjugates with magnetic nanoparticles were then used for photodynamic antimicrobial chemotherapy on E. coli. The cationic photosensitiser 4 showed a high efficiency for photodynamic antimicrobial chemotherapy at a very low concentration compared to its conjugate on E. coli.
}, issn = {1144-0546}, doi = {10.1039/c5nj01922b}, author = {Osifeko, Olawale L. and Uddin, Imran and Mashazi, Philani N. and Nyokong, Tebello} } @article {43642, title = {Phytase production by solid-state fermentation of groundnut oil cake by Aspergillus niger: A bioprocess optimization study for animal feedstock applications}, journal = {Preparative Biochemistry \& Biotechnology}, volume = {46}, year = {2016}, month = {JUL}, pages = {531-538}, abstract = {This investigation deals with the use of agro-industrial waste, namely groundnut oil cake (GOC), for phytase production by the fungi Aspergillus niger NCIM 563. Plackett-Burman design (PBD) was used to evaluate the effect of 11 process variables and studies here showed that phytase production was significantly influenced by glucose, dextrin, distilled water, and MgSO4 center dot 7H(2)O. The use of response surface methodology (RSM) by Box-Behnken design (BBD) of experiments further enhanced the production by a remarkable 36.67-fold from the original finding of 15 IU/gds (grams of dry substrate) to 550 IU/gds. This is the highest solid-state fermentation (SSF) phytase production reported when compared to other microorganisms and in fact betters the best known by a factor of 2. Experiments carried out using dried fermented koji for phosphorus and mineral release and also thermal stability have shown the phytase to be as efficient as the liquid enzyme extract. Also, the enzyme, while exhibiting optimal activity under acidic conditions, was found to have significant activity in a broad range of pH values (1.5-6.5). The studies suggest the suitability of the koji supplemented with phytase produced in an SSF process by the "generally regarded as safe" (GRAS) microorganism A. niger as a cost-effective value-added livestock feed when compared to that obtained by submerged fermentation (SmF).}, doi = {10.1080/10826068.2015.1045606}, author = {Buddhiwant, Priyanka and Bhavsar, Kavita and Kumar, V. Ravi and Khire, Jayant M.} } @article { ISI:000375559600001, title = {Phytogenic silver, gold, and bimetallic nanoparticles as novel antitubercular agents}, journal = {International Journal of Nanomedicine}, volume = {11}, year = {2016}, month = {MAY}, pages = {1889{\textemdash}1897}, publisher = {DOVE MEDICAL PRESS LTD}, address = {PO BOX 300-008, ALBANY, AUCKLAND 0752, NEW ZEALAND}, abstract = {
Purpose: Multi- and extensively drug-resistant tuberculosis (TB) is a global threat to human health. It requires immediate action to seek new antitubercular compounds and devise alternate strategies. Nanomaterials, in the present scenario, have opened new avenues in medicine, diagnosis, and therapeutics. In view of this, the current study aims to determine the efficacy of phytogenic metal nanoparticles to inhibit mycobacteria. Methods: Silver (AgNPs), gold (AuNPs), and gold-silver bimetallic (Au-AgNPs) nanoparticles synthesized from medicinal plants, such as Barleria prionitis, Plumbago zeylanica, and Syzygium cumini, were tested against Mycobacterium tuberculosis and M. bovis BCG. In vitro and ex vivo macrophage infection model assays were designed to determine minimum inhibitory concentration (MIC) and half maximal inhibitory concentration of nanoparticles. Microscopic analyses were carried out to demonstrate intracellular uptake of nanoparticles in macrophages. Besides this, biocompatibility, specificity, and selectivity of nanoparticles were also established with respect to human cell lines. Results: Au-AgNPs exhibited highest antitubercular activity, with MIC of \<2.56 mu g/mL, followed by AgNPs. AuNPs did not show such activity at concentrations of up to 100 mu g/mL. In vitro and ex vivo macrophage infection model assays revealed the inhibition of both active and dormant stage mycobacteria on exposure to Au-AgNPs. These nanoparticles were capable of entering macrophage cells and exhibited up to 45\% cytotoxicity at 30 mu g/mL (ten times MIC concentration) after 48 hours. Among these, Au-AgNPs synthesized from S. cumini were found to be more specific toward mycobacteria, with their selectivity index in the range of 94-108. Conclusion: This is the first study to report the antimycobacterial activity of AuNPs, AgNPs, and Au-AgNPs synthesized from medicinal plants. Among these, Au-AgNPs from S. cumini showed profound efficiency, specificity, and selectivity to kill mycobacteria. These should be investigated further to develop novel TB nanoantibiotics.
}, keywords = {Antimycobacterial agent, Cytotoxicity, drug resistance, Mycobacteria, Nanoparticles, tuberculosis}, issn = {1178-2013}, doi = {10.2147/IJN.S102488}, author = {Singh, Richa and Nawale, Laxman and Arkile, Manisha A. and Wadhwani, Sweety and Shedbalkar, Utkarsha and Chopade, Snehal and Sarkar, Dhiman and Chopade, Balu Ananda} } @article { ISI:000379457400028, title = {Pick and choose the spectroscopic method to calibrate the local electric field inside proteins}, journal = {Journal of Physical Chemistry Letters}, volume = {7}, number = {13}, year = {2016}, month = {JUL}, pages = {2456-2460}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Electrostatic interactions in proteins play a crucial role in determining the structure function relation in biomolecules. In recent years, fluorescent probes have been extensively employed to interrogate the polarity in biological cavities through dielectric constants or semiempirical polarity scales. A choice of multiple spectroscopic methods, not limited by fluorophores, along with a molecular level description of electrostatics involving solute-solvent interactions, would allow more flexibility to pick and choose the experimental technique to determine the local electrostatics within protein interiors. In this work we report that ultraviolet/visible-absorption, infrared-absorption, or C-13 NMR can be used to calibrate the local electric field in both hydrogen bonded and non-hydrogen bonded protein environments. The local electric field at the binding site of a serum protein has been determined using the absorption wavelength as well as the carbonyl stretching frequency of its natural steroid substrate, testosterone. Excellent agreement is observed in the results obtained from two independent spectroscopic techniques.
}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.6b00852}, author = {Haldar, Tapas and Kashid, Somnath M. and Deb, Pranab and Kesh, Sandeep and Bagchi, Sayan} } @article { ISI:000363852200028, title = {Polybenzimidazole based polymeric ionic liquids possessing partial ionic character: effects of anion exchange on their gas permeation properties}, journal = {Journal of Membrane Science}, volume = {497}, year = {2016}, month = {JAN}, pages = {282-288}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Polymeric ionic liquids (PILs) are emerging as promising membrane materials for CO2 separation. Present work is in continuation with our earlier efforts on evaluating gas permeation properties (especially, CO2) of film forming PILs based on polybenzimidazoles and efforts towards improving their permeability by structural tuning. This work specifically aims at evaluating effect of anion variation in chosen PILs possessing partial N-quaternization of imidazole moiety of PBI-Bul. Three anions (viz., Tf2N-, BF4- and Ac-) were chosen for the bromide exchange of two PILs, viz., [TBzPBI-Bul][Br](10) and [TBzPBI-Bul][Br](18), possessing degree of PEI N-quaternization (DQ) as 10 and 18\%, respectively. Concurrent effects of variation in anion and DQ were analyzed in terms of physical and gas permeation properties of the resulting PILs. All of them possessed amorphous nature, adequate thermal stability ( \>= 250 degrees C) and solvent solubility, which are primary requisites towards their applicability as a membrane material. PILs possessing BF4- anion exhibited improved CO2 permeability coefficient as well as its permselectivity over CH4 and N-2, in comparison to their counterparts with other anions. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Anion exchange, Gas separation, Polybenzimidazole, Polymeric ionic liquids (PILs)}, issn = {0376-7388}, doi = {10.1016/j.memsci.2015.09.019}, author = {Rewar, Anita S. and Shaligram, Sayali V. and Kharul, Ulhas K.} } @article { ISI:000375520700048, title = {Polyhedral oligomeric silsesquioxane-containing thiol-ene fibers with tunable thermal and mechanical properties}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {17}, year = {2016}, month = {MAY}, pages = {11050-11059}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Polyhedral oligomeric silsesquioxanes (POSS) are versatile inorganic-organic hybrid building blocks that have potential applications as reinforcement nanofillers, thermal stabilizers, and catalyst supports for metal nano particles. However, fabrication of fibrous materials with high POSS content has been a challenge because of the aggregation and solubility limits of POSS units. In this paper, we describe a robust and environmentally friendly fabrication approach of inorganic-organic hybrid POSS fibers by integrating UV initiated thiol-ene polymerization and centrifugal fiber spinning. The use of monomeric liquids in this approach not only reduces the consumption of heat energy and solvent, but it also promotes homogeneous mixing of organic and inorganic components that allows integration of large amount of POSS (up to 80 wt \%) into the polymer network. The POSS containing thiol-ene fibers exhibited enhanced thermomechanical properties compared to purely organic analogs as revealed by substantial increases in residual weight and a factor of 4 increase in modulus after thermal treatment at 1000 degrees C. This simple fabrication approach combined with the tunability in fiber properties afforded by tailoring monomer composition make POSS containing thiol-ene fibers attractive candidates for catalyst supports and filtration media, particularly in high-temperature and harsh environments.
}, keywords = {cross-linked fiber, enhanced thermomechanical properties, inorganic-organic hybrid fiber, POSS, reactive centrifugal spinning, thiol-ene photopolymerization}, issn = {1944-8244}, doi = {10.1021/acsami.6b01692}, author = {Fang, Yichen and Ha, Heonjoo and Shanmuganathan, Kadhiravan and Ellison, Christopher J.} } @article {43572, title = {PolyHIPE derived freestanding 3D carbon foam for cobalt hydroxide nanorods based highperformance supercapacitor}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {OCT}, pages = {Article Number: 35490}, abstract = {The current paper describes enhanced electrochemical capacitive performance of chemically grown Cobalt hydroxide (Co(OH)(2)) nanorods (NRs) decorated porous three dimensional graphitic carbon foam (Co(OH)(2)/3D GCF) as a supercapacitor electrode. Freestanding 3D porous GCF is prepared by carbonizing, high internal phase emulsion (HIPE) polymerized styrene and divinylbenzene. The PolyHIPE was sulfonated and carbonized at temperature up to 850 degrees C to obtain graphitic 3D carbon foam with high surface area (389 m(2) g(-1)) having open voids (14 mu m) interconnected by windows (4 mu m) in monolithic form. Moreover, entangled Co(OH)(2) NRs are anchored on 3D GCF electrodes by using a facile chemical bath deposition (CBD) method. The wide porous structure with high specific surface area (520 m(2) g(-1)) access offered by the interconnected 3D GCF along with Co(OH)(2) NRs morphology, displays ultrahigh specific capacitance, specific energy and power. The Co(OH)(2)/3D GCF electrode exhibits maximum specific capacitance about similar to 1235 F g(-1) at similar to 1 Ag-1 charge-discharge current density, in 1 M aqueous KOH solution. These results endorse potential applicability of Co(OH)(2)/3D GCF electrode in supercapacitors and signifies that, the porous GCF is a proficient 3D freestanding framework for loading pseudocapacitive nanostructured materials.}, doi = {10.1038/srep35490}, author = {Patil, Umakant M. and Ghorpade, Ravindra V. and Nam, Min Sik and Nalawade, Archana C. and Lee, Sangrae and Han, Haksoo and Jun, Seong Chan} } @article {42861, title = {Porous thin films towards bridging the material gap in heterogeneous catalysis}, journal = {Catalysis, Structure \& Reactivity}, volume = {2}, year = {2016}, month = {MAR}, pages = {1-12}, type = {Article}, abstract = {
An attempt has been made to bridge the material gap, existing between ideal single crystals and real-world powder nanocatalyst employed in surface science and heterogeneous catalysis, respectively. Simple wet chemical method (sol{\textendash}gel and spin-coating deposition) has been applied to make continuous Ce1 - xZrxO2 (x = 0{\textendash}1) (CZ) thin films with uniform thickness (~40 nm) and smooth surface characteristics. Uniform thickness and surface smoothness of the films over a large area was supported by a variety of measurements. Molecular beam (MB) studies of O2 adsorption on CZ surfaces reveals the oxygen storage capacity (OSC), and sticking coefficient increases from 400 to 800 K. Porous nature of Ce-rich CZ compositions enhances O2 adsorption and OSC, predominantly due to O-diffusion and redox nature, even at 400 K. A good correlation exists between MB measurements made on CZ films for oxygen adsorption, and OSC, and ambient pressure CO oxidation on powder form of CZ; this demonstrates the large potential to bridge the material gap. CZ was particularly chosen as a model system for the present studies, since it has been well-studied and a correlation between surface science properties made on thin films and catalysis on powder CZ materials could be a litmus test. Ambient catalysis on ceria-zirconia nanocatalyst correlates well with surface properties measured through molecular beam on thinfilm and close the material gap.
}, doi = {10.1080/2055074X.2015.1133269}, author = {Dubey, Anjani and Kolekar, Sadhu K. and Gnanakumar, Edwin S. and Roy, Kanak and Vinod, C. P. and Gopinath, Chinnakonda S.} } @article { ISI:000368189500001, title = {Potential dual role of eugenol in inhibiting advanced glycation end products in diabetes: proteomic and mechanistic insights}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {JAN}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
Medicinally important genus Ocimum harbors a vast pool of chemically diverse metabolites. Current study aims at identifying anti-diabetic candidate compounds from Ocimum species. Major metabolites in O. kilimandscharicum, O. tenuiflorum, O. gratissimum were purified, characterized and evaluated for anti-glycation activity. In vitro inhibition of advanced glycation end products (AGEs) by eugenol was found to be highest. Preliminary biophysical analysis and blind docking studies to understand eugenol-albumin interaction indicated eugenol to possess strong binding affinity for surface exposed lysines. However, binding of eugenol to bovine serum albumin (BSA) did not result in significant change in secondary structure of protein. In vivo diabetic mice model studies with eugenol showed reduction in blood glucose levels by 38\% likely due to inhibition of alpha-glucosidase while insulin and glycated hemoglobin levels remain unchanged. Western blotting using anti-AGE antibody and mass spectrometry detected notably fewer AGE modified peptides upon eugenol treatment both in vivo and in vitro. Histopathological examination revealed comparatively lesser lesions in eugenol-treated mice. Thus, we propose eugenol has dual mode of action in combating diabetes; it lowers blood glucose by inhibiting a-glucosidase and prevents AGE formation by binding to epsilon-amine group on lysine, protecting it from glycation, offering potential use in diabetic management.
}, issn = {2045-2322}, doi = {10.1038/srep18798}, author = {Singh, Priyanka and Jayaramaiah, Ramesha H. and Agawane, Sachin B. and Vannuruswamy, Garikapati and Korwar, Arvind M. and Anand, Atul and Dhaygude, Vitthal S. and Shaikh, Mahemud L. and Joshi, Rakesh S. and Boppana, Ramanamurthy and Kulkarni, Mahesh J. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article { ISI:000371228200032, title = {Prediction of reactivity ratios in free radical copolymerization from monomer resonance-polarity (Q-e) parameters: genetic programming-based models}, journal = {International Journal of Chemical Reactor Engineering}, volume = {14}, number = {1}, year = {2016}, month = {FEB}, pages = {361-372}, publisher = {WALTER DE GRUYTER GMBH}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {
The principal deficiency of the widely utilized Alfrey-Price (AP) scheme for computing reactivity ratios in the widely used free radical copolymerization is that it ignores important factors, such as the steric effects. This often leads to inaccurate reactivity ratio predictions by AP model. Accordingly, in this study, exclusively data-driven, Q-e parameter-based new models have been developed for the reactivity ratio prediction in free radical copolymerization. In the model development, a novel artificial intelligence formalism known as {\textquoteleft}{\textquoteleft}genetic programming (GP){\textquoteright}{\textquoteright} that performs symbolic regression has been employed. The GP-based models possess a different functional form than AP model. Further, parameters of GP-based models were fine-tuned using Levenberg-Marquardt (LM) nonlinear regression method. A comparison of AP, GP and GP-LM as well as artificial neural network (ANN)-based models indicates that GP and GP-LM models exhibit superior reactivity ratio prediction accuracy and generalization performance (with correlation coefficient magnitudes close to or greater than 0.9) when compared with AP and ANN models. The GPbased reactivity ratio prediction models developed here due to their higher accuracy and generalization capability have the potential of replacing the widely used AP models.
}, keywords = {Alfrey-Price scheme, free radical copolymerization, genetic programming, reactivity ratio, symbolic regression}, issn = {2194-5748}, doi = {10.1515/ijcre-2014-0039}, author = {Shrinivas, K. and Kulkarni, Rahul P. and Shaikh, Saif and Ghorpade, Ravindra V. and Vyas, Renu and Tambe, Sanjeev S. and Ponrathnam, S. and Kulkarni, Bhaskar D.} } @article {43413, title = {Preparation and characterization of microcapsules containing industrially important reactive water-soluble polyamine}, journal = {Colloid and Polymer Science}, volume = {294}, year = {2016}, month = {DEC}, pages = {2039-2050}, abstract = {Polyurea microcapsules containing water-soluble reactive polyamine, namely, polyaziridine (A33), were prepared by interfacial polymerization technique in non-aqueous medium, wherein (i) A33 was encapsulated for the first time as a neat amine without forming its salt or adduct and (ii) microcapsules formed were without any deleterious effect on A33. A systematic study was conducted by preparing microcapsules with different polyurea wall architectures. Fourier transform infrared (FTIR) and proton nuclear magnetic resonance (H-1 NMR) spectroscopic analysis of extracted A33 from microcapsules do not show any structural changes during microencapsulation. A titration method was developed to analyze the amount of encapsulated A33 quantitatively. Polyurea microcapsules obtained from reaction of ethylene diamine (E) and isophorone diisocyanate (I) monomers have shown better properties such as encapsulation efficiency and extent of agglomeration. Significant reduction in the size was observed when microcapsules of EI wall material were prepared by homogenizing the initial emulsion of A33 in paraffin oil. The process described in this paper for the preparation of microcapsules is cost-effective and industrially viable, which can find applications in agrochemicals, coatings, self-healing composites, etc.}, doi = {10.1007/s00396-016-3966-8}, author = {Shukla, Parshuram G. and Jagtap, Siddheshwar B. and Biradar, Satish C. and Charpe, Vaibhav P. and Jadhav, Arun S.} } @article { ISI:000378935400002, title = {Pretreatment and enzymatic process modification strategies to improve efficiency of sugar production from sugarcane bagasse}, journal = {3 Biotech}, volume = {6}, year = {2016}, month = {JUN}, pages = {Article Number: 126}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {
Pretreatment and enzymatic hydrolysis play a critical role in the economic production of sugars and fuels from lignocellulosic biomass. In this study, we evaluated diverse pilot-scale pretreatments and different post-pretreatment strategies for the production of fermentable sugars from sugarcane bagasse. For the pretreatment of bagasse at pilot-scale level, steam explosion without catalyst and combination of sulfuric and oxalic acids at low and high loadings were used. Subsequently, to enhance the efficiency of enzymatic hydrolysis of the pretreated bagasse, three different post-pretreatment process schemes were investigated. In the first scheme (Scheme 1), enzymatic hydrolysis was conducted on the whole pretreated slurry, without treatments such as washing or solid-liquid separation. In the second scheme (Scheme 2), the pretreated slurry was first pressure filtered to yield a solid and liquid phase. Following filtration, the separated liquid phase was remixed with the solid wet cake to generate slurry, which was then subsequently used for enzymatic hydrolysis. In the third scheme (Scheme 3), the pretreated slurry was washed with more water and filtered to obtain a solid and liquid phase, in which only the former was subjected to enzymatic hydrolysis. A 10 \% higher enzymatic conversion was obtained in Scheme 2 than Scheme 1, while Scheme 3 resulted in only a 5-7 \% increase due to additional washing unit operation and solid-liquid separation. Dynamic light scattering experiments conducted on post-pretreated bagasse indicate decrease of particle size due to solid-liquid separation involving pressure filtration provided increased the yield of C6 sugars. It is anticipated that different process modification methods used in this study before the enzymatic hydrolysis step can make the overall cellulosic ethanol process effective and possibly cost effective.
}, keywords = {Dilute acid treatment, High-solid enzymatic hydrolysis, Pilot-scale pretreatment, Pressure filtration, Solid-liquid separation}, issn = {2190-5738}, doi = {10.1007/s13205-016-0446-2}, author = {Pal, Siddhartha and Joy, Shereena and Trimukhe, Kalpana D. and Kumbhar, Pramod S. and Varma, Anjani J. and Padmanabhan, Sasisanker} } @article { ISI:000371428800003, title = {Probing the ATP-induced conformational flexibility of the PcrA helicase protein using molecular dynamics simulation}, journal = {Journal of Molecular Modeling}, volume = {22}, number = {3}, year = {2016}, month = {MAR}, pages = {54}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
Helicases are enzymes that unwind double-stranded DNA (dsDNA) into its single-stranded components. It is important to understand the binding and unbinding of ATP from the active sites of helicases, as this knowledge can be used to elucidate the functionality of helicases during the unwinding of dsDNA. In this work, we investigated the unbinding of ATP and its effect on the active-site residues of the helicase PcrA using molecular dynamic simulations. To mimic the unbinding process of ATP from the active site of the helicase, we simulated the application of an external force that pulls ATP from the active site and computed the free-energy change during this process. We estimated an energy cost of similar to 85 kJ/mol for the transformation of the helicase from the ATP-bound state (1QHH) to the ATP-free state (1PJR). Unbinding led to conformational changes in the residues of the protein at the active site. Some of the residues at the ATP-binding site were significantly reoriented when the ATP was pulled. We observed a clear competition between reorientation of the residues and energy stabilization by hydrogen bonds between the ATP and active-site residues. We also checked the flexibility of the PcrA protein using a principal component analysis of domain motion. We found that the ATP-free state of the helicase is more flexible than the ATP-bound state.
}, keywords = {ATP, DNA helicase, PcrA, Residue reorientation, Translocation, Umbrella sampling, Unwinding}, issn = {1610-2940}, doi = {10.1007/s00894-016-2922-3}, author = {Mhashal, Anil R. and Choudhury, Chandan Kumar and Roy, Sudip} } @article { ISI:000377425900059, title = {Problem solving and environmentally benign approach toward diversity oriented synthesis of novel 2-amino-3-phenyl (or Alkyl) sulfonyl-4H-chromenes at ambient temperature}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {4}, number = {6}, year = {2016}, month = {JUN}, pages = {3450-3464}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A problem solving, environmentally benign, and diversity oriented protocol has been described for multi component synthesis of medicinally privileged 2-amino-3-phenyl (or methyl) sulfonyl-4H-chromenes by one-pot, three component condensation among aldehydes, phenyl (or methyl) sulphonyl acetonitrile, and alpha-naphthol, 3-dimethylamino phenol, 4-hydroxy-N-methyl-quinoline-2-one as well as 4-hydroxycarbazole, using diethylamine as an efficient organo catalyst. The catalyst employed is commercially available, inexpensive, and nontoxic. Ambient reaction conditions, very high yields, wide scope, and avoidance of conventional isolation as well as chromatographic purification have improved the practical utility of this protocol manifold.
}, keywords = {2-Amino-3-methylsulfonyl-4H-chromenes, 2-Amino-3-phenylsulfonyl-4H-chromenes, diethylamine, green chemistry, Multicomponent synthesis, organocatalyst}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.6b00484}, author = {Pandit, Kapil S. and Kupwade, Ravindra V. and Chavan, Pramod V. and Desai, Uday V. and Wadgaonkar, Prakash P. and Kodam, Kisan M.} } @article { ISI:000364655000057, title = {Processing of TGA data: analysis of isoconversional and model fitting methods}, journal = {Fuel}, volume = {165}, year = {2016}, month = {FEB}, pages = {490-498}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Thermogravimetric analysis (TGA) is routinely used to characterize coal. Apart from proximate analysis, TGA data is also used to characterize kinetics of devolatilization and char combustion. Various methods have been proposed to process the TGA data [isoconversional or model free methods such as Friedman method, Kissinger method, Flynn-Wall-Ozawa method (FWO), Kissinger-Akahira-Sunose method (KAS) or single or multi-reaction models (SRMs/MRMs) and distributed activation energy models (DAEMs)]. In this work, we have critically examined various models for processing TGA data obtained with typical Indian coal. A generalized equation has been proposed to encompass different models as special cases. We have also considered a model based on a possibility of distribution of frequency factor along with constant or distribution of activation energies. The results of TGA data described by different models were critically analyzed. The presented results and methodology will be useful for selecting appropriate strategy for processing TGA data. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {DAEM, High ash coal, Isoconversional methods, Pyrolysis, TGA}, issn = {0016-2361}, doi = {10.1016/j.fuel.2015.10.042}, author = {Jain, Ankit A. and Mehra, Anurag and Ranade, Vivek V.} } @article {43038, title = {Product distribution in hydrogenation of styrene oxide over Pd/chitosan catalyst}, journal = {Research on Chemical Intermediates}, volume = {42}, year = {2016}, month = {OCT}, pages = {7581-7595}, abstract = {
Palladium-decorated chitosan catalyst was synthesized by an impregnation method by varying the Pd loading in the range of 1-6 \%, and was evaluated for the regioselective hydrogenation of styrene oxide. In order to correlate the chemical and textural properties with the catalytic activity, all the prepared catalysts were characterized by techniques such as Fourier transform infrared spectroscopy, X-ray diffraction, scanning electron microscopy, transmission electron spectroscopy, thermo-gravimetric analysis, temperature-programmed desorption of NH3, and CO2 and N-2 physisorption. The synthesized catalysts were utilized for the efficient and regioselective ring opening of styrene oxide by hydrogenation under different conditions. The complete conversion of styrene oxide with 65 \% selectivity for 2-phenyl ethanol and 33 \% for 1-phenyl ethanol were obtained using 4 \% Pd/CS catalyst at 70 degrees C temperature and 3 MPa pressure. The mechanism for the regio selective ring opening of styrene oxide to 1- and 2-phenyl ethanol was also proposed on the basis of properties of the catalyst support, catalytic activity and selectivity. These results indicated that the catalytic activity and selectivity of the catalysts were affected by the nature of support. Further, the basic properties of the support play an important role in the selectivity of the styrene oxide hydrogenation reaction.
}, doi = {10.1007/s11164-016-2554-3}, author = {Viswanadhan, Maya and Potdar, Aparna and Divakaran, Anumon V. and Badiger, Manohar V. and Rode, Chandrashekhar} } @article { ISI:000375900200001, title = {Production of bikaverin by a Fusarium fujikuroi mutant in submerged cultures}, journal = {AMB Express}, volume = {6}, year = {2016}, month = {MAY}, pages = {Article Number: 34}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {
A variety of mutants having different colony characteristics, morphology and soluble pigmentation were generated from Fusarium fujikuroi by exposure to UV radiation. Mutants were selected that formed dry, compact, small colonies with reddish-violet pigment on regeneration agar plates. The production of bikaverin by Mut-4 was examined in shake flasks in media with different nitrogen and carbon sources. The optimal C: N ratio for the maximal bikaverin production by Mut-4 was 150: 1. It produced still higher bikaverin (6.3 g l(-1)) in a medium containing defatted cottonseed meal as nitrogen source, in combination with glucose. Bikaverin produced was extracted, purified and characterized by UV-visible and NMR spectroscopy. Bikaverin production in the present investigation was substantially higher than that reported by earlier investigators in submerged and solid-state fermentations.
}, keywords = {Bikaverin, Fusarium fujikuroi, Gibberella fujikuroi, Pigment production, Submerged cultures}, issn = {2191-0855}, doi = {10.1186/s13568-016-0205-0}, author = {Lale, Geetanjali and Gadre, R. V.} } @article {43616, title = {Proline catalyzed enantioselective synthesis of (2S,3S)-3-hydroxypipecolic acid and formal synthesis of (+)-swainsonine}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {MAY}, pages = {2021-2024}, abstract = {A short enantioselective synthesis of (2S,3S)-3-hydroxypipecolic acid (overall yield: 18.8\%; 96\% ee) and formal synthesis of (+)-swainsonine (overall yield: 13.6\%; 96\% ee) have been described starting from commercially available acrolein. The synthetic strategy involves a high enantioselective L-proline catalyzed sequential c-amination and diastereoselective (dr > 99:1) Barbier allylation of aldehyde in one-pot as the key reaction. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2016.03.042}, author = {Aher, Ravindra D. and Sudalai, Arumugam} } @article {43633, title = {Promising field electron emission performance of vertically aligned one dimensional (1D) brookite (beta) TiO2 nanorods}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {OCT}, pages = {98722-98729}, abstract = {We evidence field-electron emission (FE) studies on the large-area array of one-dimensional (1D) brookite (beta) TiO2 nanorods. The pure 1D beta-TiO2 nanorods of 10 nm width and 760 nm long were synthesized on Si substrate utilizing hot-filament metal vapor deposition technique. X-ray diffraction (XRD) and transmission electron microscopy (TEM) analysis evidenced the beta-TiO2 nanorods to be composed of orthorhombic crystals in brookite (beta) phase. X-ray photoemission spectroscopy (XPS) revealed the formation of pure stoichiometric (i.e. 1 : 1.98) 1D TiO2 nanorods. The values of turn-on field, required to draw current density of 10 mA cm(-2), was observed 3.9 V mu m(-1) for pristine 1D beta-TiO2 nanorods emitters, which were found significantly lower than doped/undoped 1D TiO2 nanostructures (i.e. nanotubes, nanowires, nanorods) based field emitters. The enhanced FE behavior of the TiO2/Si emitter can be attributed to modulation of electronic properties due to the high aspect ratio of vertically aligned TiO2 nanorods. Furthermore, the orthodox emission situation of pristine TiO2/Si emitters exhibit good emission stability and reveal their potentials as promising FE material.}, doi = {10.1039/c6ra20747b}, author = {Devan, Rupesh S. and Ma, Yuan-Ron and More, Mahendra A. and Khare, Ruchita T. and Antad, Vivek V. and Patil, Ranjit A. and Thakare, Vishal P. and Dhayal, Rajendra S. and Schmidt-Mende, Lukas} } @article { ISI:000369508800059, title = {Promotional effect of Fe on the performance of supported Cu catalyst for ambient pressure hydrogenation of furfural}, journal = {RSC Advances}, volume = {6}, number = {5}, year = {2016}, month = {DEC}, pages = {3888-3898}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A noble-metal free FeCu based bimetallic catalyst system prepared by facile co-impregnation method was found to be highly admirable for vapour phase selective hydrogenation of furfural to furfuryl alcohol at ambient pressure. Monometallic Cu/gamma-Al2O3, Fe/gamma-Al2O3 and bimetallic FeCu/gamma-Al2O3 catalysts with different Fe loadings were prepared. Structural and morphological features of the catalysts were thoroughly investigated by several physico-chemical characterization techniques. The influence of various reaction parameters, such as Fe loading, reaction temperature and flow of reactants was examined with respect to furfural conversion and furfuryl alcohol yield. The results clearly showed that an optimum amount of Fe is necessary to enhance the catalytic activity of monometallic Cu/gamma-Al2O3 for the selective hydrogenation of furfural. The catalyst FC-10 with 10 wt\% Fe exhibited excellent activity which led to high furfural conversion (\>93\%) and furfuryl alcohol selectivity (\>98\%) under mild reaction conditions. The higher activity of bimetallic FeCu/gamma-Al2O3 compared to monometallic Cu/gamma-Al2O3 is ascribed to the formation of FeCu bimetallic particles and the existence of oxygen vacancies in the Fe oxide system. The superior activity after Fe loading on the Cu-based catalyst was attributed to the synergy between Cu and Fe. A plausible mechanism is proposed to explain the promoting effect of Fe, which involves synergism between Fe sites with strong oxophilic nature and Cu sites with a high ability for hydrogen activation. Based on the activity results, prolonged catalytic activity and spent catalyst analysis, the developed FeCu/gamma-Al2O3 catalyst is inexpensive, eco-benign and robust, which makes it a promising candidate for the efficient conversion of biomass-derived substrates to fine chemicals and drop-in biofuels.
}, issn = {2046-2069}, doi = {10.1039/c5ra24742j}, author = {Manikandan, Marimuthu and Venugopal, Ashok Kumar and Nagpure, Atul S. and Chilukuri, Satyanarayana V. and Raja, Thirumalaiswamy} } @article {42993, title = {Protein-dependent membrane interaction of a partially disordered protein complex with oleic acid : Implications for cancer lipidomics}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {OCT}, abstract = {
Bovine α-lactalbumin (BLA) forms cytotoxic complexes with oleic acid (OA) that perturbs tumor cell membranes, but molecular determinants of these membrane-interactions remain poorly understood. Here, we aim to obtain molecular insights into the interaction of BLA/BLA-OA complex with model membranes. We characterized the folding state of BLA-OA complex using tryptophan fluorescence and resolved residue-specific interactions of BLA with OA using molecular dynamics simulation. We integrated membrane-binding data using a voltage-sensitive probe and molecular dynamics (MD) to demonstrate the preferential interaction of the BLA-OA complex with negatively charged membranes. We identified amino acid residues of BLA and BLA-OA complex as determinants of these membrane interactions using MD, functionally corroborated by uptake of the corresponding α-LA peptides across tumor cell membranes. The results suggest that the α-LA component of these cytotoxic complexes confers specificity for tumor cell membranes through protein interactions that are maintained even in the lipid complex, in the presence of OA.
}, doi = {10.1038/srep35015}, author = {Chaudhuri, Arunima and Prasanna, Xavier and Agiru, Priyanka and Chakraborty, Hirak and Rydstrom, Anna and Ho, James C. S. and Svanborg, Catharina and Sengupta, Durba and Chattopadhyay, Amitabha} } @article { ISI:000377822900018, title = {Proteomic insight reveals elevated levels of albumin in circulating immunecomplexes in diabetic plasma}, journal = {Molecular \& Cellular Proteomics}, volume = {15}, number = {6}, year = {2016}, month = {JUN}, pages = {2011-2020}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {
A Hyperglycemic condition in diabetes promotes formation of advanced glycation end products, which are known to elicit immune response and form complexes with immunoglobulins called circulating immune complexes. To investigate the involvement of advanced glycation end product (AGE)-modified proteins in the elicitation of an immune response, circulating immune complexes were isolated and proteins associated were identified and characterized. Label-free-based mass spectrometric analysis of circulating immune complexes in clinical plasma of prediabetic, newly diagnosed diabetes, and diabetic microalbuminurea revealed elevated levels of serum albumin in the circulating immune complexes, which were also observed to be AGE modified. Further, to examine the role of glycation, circulating immune complexeswere analyzed in the streptozotocin-induced diabetic mice treated with or without aminoguanidine, a prototype glycation inhibitor. Mass spectrometric analysis of circulating immune complexes showed elevated levels of serum albumin in plasma from diabetic mice over that of control animals. Aminoguanidine-treated diabetic mice displayed decreased AGE modification of plasma albumin, accompanied by a reduced level of albumin in the circulating immune complexes. In addition, elevated levels of proinflammatory cytokines such as IL-1b, IL-2, and TNF-alpha were observed in diabetes, which were reduced with aminoguanidine treatment, suggesting the involvement of glycation in the immune response.
}, issn = {1535-9476}, doi = {10.1074/mcp.M116.058008}, author = {Bhat, Shweta and Jagadeeshaprasad, Mashanipalya G. and Patil, Yugendra R. and Shaikh, Mahemud L. and Regin, Bhaskaran S. and Mohan, Viswanathan and Giri, Ashok P. and Balasubramanyam, Muthuswamy and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000380943900048, title = {Proton play in the formation of low molecular weight chitosan (LWCS) by hydrolyzing chitosan with a carbon based solid acid}, journal = {Carbohydrate Polymers}, volume = {151}, year = {2016}, month = {OCT}, pages = {417-425}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Low molecular weight chitosan (LWCS) constitute a special class of value added chemicals that are primarily obtained from crustacean shells, which are the main water pollutants from crabs and shrimp processing centers. Unlike chitin and chitosan, LWCS possess improved solubility in water and aqueous solutions, making them widely applicable in numerous fields ranging from drug delivery to waste water treatment. Among the methods employed for their production, chemical breakdown by strong liquid acids has yielded good success. However, this method is met with severe concerns arising from the harsh nature of liquid acids, which may corrode the reactors for commercial synthesis, and their limited reusability. The physical methods like ultrasound and microwave are energy intensive in nature, while the enzymatic methods are expensive and offers limited scope for reuse. We have attempted to overcome these problems by employing carbon based solid acid (CSA) for hydrolyzing chitosan to LWCS. CSA can be easily produced using activated carbon, a cost-effective and easily available raw material. Reactions were carried out between chitosan and CSA in a hydrothermal glass reactor and the products, separated by cold centrifugation, were purified and dried. The dried products were characterized for their molecular weight and solubility. Results indicated more than ten-fold decrease in the molecular weight of chitosan and the product exhibited water solubility. The CSA could be used upto four times, without regeneration, to give a consistent quality product. The aqueous solution of resulting LWCS exhibited a pH of 6.03 +/- 0.11, as against the acidic pH range of solutions of commercially available LWCS, indicating its suitability for biomedical applications. Our investigation facilitates a {\textquoteleft}green approach{\textquoteright} that may be employed for commercial production of value added chemicals from waste products of marine industry. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Carbon based solid acid, Chitosan, green synthesis, Hydrolysis, Low molecular weight chitosan}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2016.05.082}, author = {Krishnan, R. Akhil and Deshmukh, Pranjal and Agarwal, Siddharth and Purohit, Poorvi and Dhoble, Deepa Arun and Waske, Prashant and Khandekar, Dileep and Jain, Ratnesh and Dandekar, Prajakta} } @article {43452, title = {Proton-coupled electron transfer in a hydrogen-bonded charge transfer complex}, journal = {Journal of Physical Chemistry B}, volume = {120}, year = {2016}, month = {OCT}, pages = {10780-10785}, abstract = {A proton-coupled electron transfer (PCET) reaction in a hydrogen bonded charge-transfer (CT) complex of 4-([2,2{\textquoteright}-bipyridin]-4-yl)phenol (bpy-phenol) with a F- ion has been investigated by ultrafast time-resolved transient absorption spectroscopy. The phenolic receptor molecule, bpy-phenol, binds to the F- ion through a hydrogen bond and senses the F- ion-via the Stokes-shifted CT band. Upon photoexcitation, CT from the phenol residue to the bpy residue promotes proton transfer from the phenol radical cation (ArOH center dot+) to the fluoride ion at ultrafast time scales of <150 fs (instrument response function limited) and 3 ps, separately. The fast and slow proton-transfer times are linked to two different types of hydrogen-bonding networks between the phenol residue and fluoride ion. Crystalline water in the fluoride salt hydrates mediates the proton-transfer reaction. This work demonstrates the participation of a hydrogen-bonded water bridge within a PCET reaction in a water restricted environment.}, doi = {10.1021/acs.jpcb.6b06032}, author = {Verma, Sandeep and Aute, Sunil and Das, Amitava and Ghosh, Hirendra N.} } @article { ISI:000368563000067, title = {Pt- and TCO-free flexible cathode for DSSC from highly conducting and flexible PEDOT paper prepared via in situ interfacial polymerization}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {1}, year = {2016}, month = {JAN}, pages = {553-562}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Here, we report the preparation of a flexible, free-standing, Pt- and TCO-free counter electrode in dye-sensitized solar cell (DSSC)-derived from polyethylenedioxythiophene (PEDOT)-impregnated cellulose paper. The synthetic strategy of making the thin flexible PEDOT paper is simple and scalable, which can be achieved via in situ polymerization all through a roll coating technique. The very low sheet resistance (4 Omega/square) obtained from a film of 40 mu m thick PEDOT paper (PEDOT-p-5) is found to be superior to the conventional fluorine-doped tin oxide (FTO) substrate. The high conductivity (357 S/cm) displayed by PEDOT-p-5 is observed to be stable under ambient conditions as well as flexible and bending conditions. With all of these features in place, we could develop an efficient Pt- and TCO-free flexible counter electrode from PEDOT-p-5 for DSSC applications. The catalytic activity toward the tri-iodide reduction of the flexible electrode is analyzed by adopting various electrochemical methodologies. PEDOT-p-5 is found to display higher exchange current density (7.12 mA/cm(2)) and low charge transfer resistance (4.6 Omega) compared to the benchmark Pt-coated FTO glass (2.40 mA/cm(2) and 9.4 Omega, respectively). Further, a DSSC fabricated using PEDOT-p-5 as the counter electrode displays a comparable efficiency of 6.1\% relative to 6.9\% delivered by a system based on Pt/FTO as the counter electrode.
}, keywords = {counter electrode, dye-sensitized solar cell, flexible and thin devices, impedance analysis, interfacial polymerization, polyethylenedioxythiophene}, issn = {1944-8244}, doi = {10.1021/acsami.5b09579}, author = {Anothumakkool, Bihag and Agrawal, Ishita and Bhange, Siddheshwar N. and Soni, Roby and Game, Onkar S. and Ogale, Satishchandra B. and Kurungot, Sreekumar} } @article {43590, title = {Pulsed laser-deposited nanocrystalline GdB6 thin films on W and Re as field emitters}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {122}, year = {2016}, month = {OCT}, pages = {Article Number: 899}, abstract = {Gadolinium hexaboride (GdB6) nanocrystalline thin films were grown on tungsten (W), rhenium (Re) tips and foil substrates using optimized pulsed laser deposition (PLD) technique. The X-ray diffraction analysis reveals formation of pure, crystalline cubic phase of GdB6 on W and Re substrates, under the prevailing PLD conditions. The field emission (FE) studies of GdB6/W and GdB6/Re emitters were performed in a planar diode configuration at the base pressure similar to 10(-8) mbar. The GdB6/W and GdB6/Re tip emitters deliver high emission current densities of similar to 1.4 and 0.811 mA/cm(2) at an applied field of similar to 6.0 and 7.0 V/mu m, respectively. The Fowler-Nordheim (F-N) plots were found to be nearly linear showing metallic nature of the emitters. The noticeably high values of field enhancement factor (beta) estimated using the slopes of the F-N plots indicate that the PLD GdB6 coating on Wand Re substrates comprises of high-aspect-ratio nanostructures. Interestingly, the GdB6/W and GdB6/Re planar emitters exhibit excellent current stability at the preset values over a long-term operation, as compared to the tip emitters. Furthermore, the values of workfunction of the GdB6/W and GdB6/Re emitters, experimentally measured using ultraviolet photoelectron spectroscopy, are found to be same, similar to 1.6 +/- 0.1 eV. Despite possessing same workfunction value, the FE characteristics of the GdB6/W emitter are markedly different from that of GdB6/Re emitter, which can be attributed to the growth of GdB6 films on W and Re substrates.}, doi = {10.1007/s00339-016-0423-y}, author = {Suryawanshi, Sachin R. and Singh, Anil K. and Phase, Deodatta M. and Late, Dattatray J. and Sinha, Sucharita and More, Mahendra A.} } @article {43594, title = {Purification and characterization of an extracellular beta-xylosidase from Pseudozyma hubeiensis NCIM 3574 (PhXyl), an unexplored yeast}, journal = {AMB Express}, volume = {6}, year = {2016}, month = {SEP}, pages = {Article Number: 73}, abstract = {This paper reports on the production of beta-xylosidase from an unexplored yeast, Pseudozyma hubeinsis. The expression of this enzyme could be induced by beech wood xylan when the yeast was grown at 27 degrees C. The enzyme was purified to homogeneity as a glycoprotein with 23 \% glycosylation. The purification protocol involved ammonium sulphate precipitation, QAE-Sephadex A50 ion exchange chromatography and sephacryl-200 column chromatography which resulted in 8.3-fold purification with 53.12 \% final recovery. The purified enzyme showed prominent single band on SDS-PAGE. It is a monomeric protein of 110 kDa molecular weight confirmed by SDS-PAGE followed by MALDI-TOF mass spectrometry (112.3 kDa). The enzyme was optimally active at 60 degrees C and pH 4.5 and stable at pH range (4-9) and at 50 degrees C for 4 h. Chemical modification studies revealed that active site of the purified enzyme comprised of carboxyl, tyrosine and tryptophan residues. The carboxyl residue is involved in catalysis and tryptophan residue is solely involved in substrate binding. The best match from the search of the NCBInr database was with gi vertical bar 808364558 glycoside hydrolase of Pseudozyma hubeiensis SY62 with 26 \% sequence coverage confirming that it is a glycoside hydrolase/beta-glucosidase. From the search of customized SWISSPROT database, it was revealed that SWISSPROT does not contain any entries that are similar to the purified enzyme.}, doi = {10.1186/s13568-016-0243-7}, author = {Mhetras, Nutan and Liddell, Susan and Gokhale, Digambar} } @article { ISI:000382535600016, title = {Purification and partial characterization of novel penicillin V acylase from Acinetobacter sp AP24 isolated from loktak lake, an indo-burma biodiversity hotspot}, journal = {Preparative Biochemistry \& Biotechnology}, volume = {46}, number = {5}, year = {2016}, month = {OCT}, pages = {524-530}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
Members of the bacterial genus Acinetobacter have attracted great attention over the past few decades, on account of their various biotechnological applications and clinical implications. In this study, we are reporting the first experimental penicillin V acylase (PVA) activity from this genus. Penicillin acylases are pharmaceutically important enzymes widely used in the synthesis of semisynthetic beta-lactam antibiotics. The bacterium, identified as Acinetobacter sp. AP24, was isolated from the water of Loktak Lake (Manipur, India), an Indo-Burma biodiversity hotspot. PVA production was increased threefold in an optimized medium with 0.2\% sodium glutamate and 1\% glucose as nitrogen and carbon sources respectively, after 24hr of fermentation at 28 degrees C and pH 7.0 with shaking at 180rpm. The enzyme was purified to homogeneity by cation-exchange chromatography using SP-sepharose resin. The PVA is a homotetramer with subunit molecular mass of 34 kD. The enzyme was highly specific toward penicillin V with optimal hydrolytic activity at 40 degrees C and pH 7.5. The enzyme was stable from pH 5.0 to 9.0 at 25 degrees C for 2hr. The enzyme retained 75\% activity after 1hr of incubation at 40 degrees C at pH 7.5.
}, keywords = {6-APA, Acinetobacter, Loktak Lake, Penicillin V acylase}, issn = {1082-6068}, doi = {10.1080/10826068.2015.1084636}, author = {Philem, Pushparani Devi and Sonalkar, Vidya V. and Dharne, Mahesh S. and Prabhune, Asmita} } @article {43644, title = {PVAc/PEDOT:PSS/graphene-iron oxide nanocomposite (GINC): an efficient thermoelectric material}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {FEB}, pages = {22453-22460}, abstract = {A green method for the synthesis of a graphene-iron oxide nanocomposite (GINC) and its PVAc based polymer nanocomposites was reported in an earlier communication. The fabricated PVAc-GINC film exhibited a conductivity of 2.18 x 104 S m(-1) with a Seebeck coefficient of 38.8 mu V K-1. Hence, the power factor (PF) reached a value of 32.90 mu W m(-1) K-2 which is 27 fold higher than a thermoelectric material based on a PVAc-graphene composite as reported in the contemporary literature. In continuation of the above mentioned study, PEDOT:PSS was used to further enhance the power factor (PT) and figure of merit (ZT) of the system. During evaluation, a PEDOT: PSS/GINC composite (5 : 95) showed a remarkable increase in various thermoelectric properties like electrical conductivity (8.0 x 10(4) S m(-1)) with a Seebeck coefficient of 25.42 mu V K-1 and thermal conductivity 0.90 m(-1) K-1. Hence PF and ZT reach up to 51.93 mW m(-1) K-2 and 0.017, respectively. To improve the mechanical strength of the polymer composite, cellulose fibre was also employed. By the addition of cellulose fibre, though the mechanical strength of the composite increases the PF reaches 5.6, which is 10 times lower than the PEDOT:PSS/GINC composite.}, doi = {10.1039/c5ra26138d}, author = {Dey, Abhijit and Maity, Arunava and Khan, Md Abdul Shafeeuulla and Sikder, Arun Kanti and Chattopadhyay, Santanu} } @article {45657, title = {Pyramiding PvPGIP2 and TAXI-III but not PvPGIP2 and PMEI enhances resistance against fusarium graminearum}, journal = {Molecular Plant-Microbe Interactions}, volume = {29}, year = {2016}, month = {AUG}, pages = {629-639}, type = {Article}, abstract = {
Plant protein inhibitors counteract the activity of cell wall degrading enzymes (CWDEs) secreted by pathogens to breach the plant cell-wall barrier. Transgenic plants expressing a single protein inhibitor restrict pathogen infections. However, since pathogens secrete a number of CWDEs at the onset of infection, we combined more inhibitors in a single wheat genotype to reinforce further the cell-wall barrier. We combined polygalacturonase (PG) inhibiting protein (PGIP) and pectin methyl esterase inhibitor (PMEI), both controlling the activity of PG, one of the first CWDEs secreted during infection. We also pyramided PGIP and TAXI-M, a xylanase inhibitor that controls the activity of xylanases, key factors for the degradation of xylan, a main component of cereal cell wall. We demonstrated that the pyramiding of PGIP and PMEI did not contribute to any further improvement of disease resistance. However, the presence of both pectinase inhibitors ensured a broader spectrum of disease resistance. Conversely, the PGIP and TAXI-HI combination contributed to further improvement of Fusarium head blight (FHB) resistance, probably because these inhibitors target the activity of different types of CWDEs, i.e., PGs and xylanases. Worth mentioning, the reduction of FHB symptoms is accompanied by a reduction of deoxynivalenol accumulation with a foreseen great benefit to human and animal health.
}, issn = {0894-0282}, doi = {10.1094/MPMI-05-16-0089-R}, author = {Tundo, Silvio and Kalunke, Raviraj and Janni, Michela and Volpi, Chiara and Lionetti, Vincenzo and Bellincampi, Daniela and Favaron, Francesco and D{\textquoteright}Ovidio, Renato} } @article { ISI:000378514600006, title = {Quenching effect of uranyl species in the photoluminescence emission and visible-light-driven water dissociation activity of CdS and TiO2 photocatalysts}, journal = {Photochemical \& Photobiological Sciences}, volume = {15}, number = {6}, year = {2016}, month = {APR}, pages = {758-766}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Anchoring of uranyl species (2-4 mol\%) led to the complete quenching of photoluminescence emission and the visible-light-driven water photodissociation activity of TiO2 (Degussa-P25) and a hydrothermally synthesized CdS photocatalyst. Photophysical measurements revealed a fast relaxation and the transfer of photogenerated electrons/energy from the TiO2 or CdS substrate to the acceptor uranyl moieties. Besides the position of flat band levels, significant overlap of the absorption/emission spectra of the host matrix and the surface-bound UO22+ species is responsible for this reverse energy transfer from a wide bandgap semiconductor to a material with a smaller band-to-band energy gap.
}, issn = {1474-905X}, doi = {10.1039/c6pp00022c}, author = {Gupta, Narendra M. and Kelkar, Sarika A. and Korake, Prakash V.} } @article {43631, title = {Racemic drug resolution: a comprehensive guide}, journal = {Analytical Methods}, volume = {8}, year = {2016}, month = {OCT}, pages = {7567-7586}, abstract = {The human body is amazingly chirally selective, and consequently enantiopure drugs are essential for treating disease. Nearly 50\% of drugs are chiral wherein pharmacological activity resides with the eutomer (pharmacologically active enantiomer) whereas the distomer (inactive/less potent/equally potent/different pharmacological activity/toxic enantiomer) metabolizes by a different pathway and creates unnecessary burden on the body. A teratogenic (toxic) isomer in a racemic drug creates sideeffects, genetic diseases, or may cause death in the case of high dosage. Nowadays, market approval of enantiopure drugs has increased exponentially whereas it has tremendously decreased for racemic and achiral drugs. An expensive process is the main drawback in obtaining enantiopure drugs. Different methods such as chromatography, spectroscopy, and thermal analysis are available for optical purity determination. However, only a few chromatographic methods are useful on an industrial scale. In the present review, racemic resolution and optical purity determination methods are discussed with examples. In addition to this, eutomers and distomers of different drugs containing a single chiral center are also reported.}, doi = {10.1039/c6ay02015a}, author = {Mane, Sachin} } @article { ISI:000381418000084, title = {Radical attached aluminum nanoclusters: an alternative way of cluster stabilization}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {31}, year = {2016}, month = {AUG}, pages = {21746-21759}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The stability and electronic structure of radical attached aluminum nanoclusters are investigated using density functional theory (DFT). A detailed investigation shows good correlation between the thermodynamic stability of radical attached clusters and the stability of the attached radical anions. All other calculated parameters like HOMO-LUMO gap and charge transfer are also found to be consistent with the observed thermodynamic stabilities of the complexes. Investigation of the electronic structure of radical attached complexes further shows the presence of jellium structures within the core similar to the ligated clusters. Comparison with available experimental and theoretical data also proves the validity of superatomic complex theory for the radical attached clusters as well. Based on the evaluated thermodynamic parameters, selected radical attached clusters are observed to be more thermodynamically stable in comparison with experimentally synthesized ligated clusters. Stabilization of small metal clusters is one of the greatest challenges in current cluster science and the present investigation confirms the fact that radical attached clusters can provide a viable alternative to ligated clusters in the future.
}, issn = {1463-9076}, doi = {10.1039/c6cp03601e}, author = {Sengupta, Turbasu and Pal, Sourav} } @article { ISI:000380182400037, title = {Radical beckmann rearrangement and its application in the formal total synthesis of antimalarial natural product isocryptolepine via C-H activation}, journal = {Organic Letters}, volume = {18}, number = {14}, year = {2016}, month = {JUL}, pages = {3450-3453}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The Beckmann rearrangement of ketoximes, mediated by ammonium persulfate-dimethyl sulfoxide as a reagent, has been achieved under neutral conditions. Based on the radical trapping and O-18-labeling experiments, the transformation follows a mechanism involving a radical pathway. The scope and generality of the developed protocol has been demonstrated by 19 examples. The developed protocol and Pd-catalyzed intramolecular double C-H activation were used as key steps in the formal total synthesis of antimalarial natural product isocryptolepine.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01634}, author = {Mahajan, Pankaj S. and Humne, Vivek T. and Tanpure, Subhash D. and Mhaske, Santosh B.} } @article {43601, title = {Radio-frequency triggered heating and drug release using doxorubicin-loaded LSMO nanoparticles for bimodal treatment of breast cancer}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {145}, year = {2016}, month = {SEP}, pages = {878-890}, abstract = {Radio-frequency responsive nanomaterials combined with drugs for simultaneous hyperthermia and drug delivery are potential anti-cancer agents. In this study, chitosan coated La0.7Sr0.3MnO3 nanoparticles (C-LSMO NPs) were synthesized and characterized by X-ray diffraction, dynamic light scattering, Fourier transform infra red spectroscopy, vibrating sample magnetometer, scanning electron and atomic force microscopy, Under low radio-frequency (365 kHz, RF), C-LSMO NPs (90 nm) showed good colloidal stability (+22 mV), superparamagnetic nature (15.4 emu/g) and heating capacity (57.4W/g SAR value). Chitosan facilitated doxorubicin entrapment (76\%) resulted in DC-LSMO NPs that showed drug release upon a 5 min RF exposure. MCF-7 and MDA-MB-231 cancer cells responded to a 5 min RF exposure in the presence of bimodal DC-LSMO NPs with a significant decrease in viability to 73\% and 88\% (Pearson correlation, r = 1, P<0.01) respectively, as compared to hyperthermia alone. Internalization of DC-LSMO NPs via the endosomal pathway led to an efficient localization of doxorubicin within the cell nucleus. The ensuing DNA damage, heat shock protein induction, and caspase production triggered apoptotic cell death. Moreover, DC-LSMO NPs successfully restricted the migration of metastatic MDA-MB-231 cancer cells. These data suggest that DC-LSMO NPs are potential bimodal therapeutic agents for cancer treatment and hold promise against disease recurrence and drug resistance. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.colsurfb.2016.06.010}, author = {Kulkarni, Vaishnavi M. and Bodas, Dhananjay and Dhoble, Deepa and Ghormade, Vandana and Paknikar, Kishore} } @article { ISI:000371560100018, title = {Rapid methane hydrate formation to develop a cost effective large scale energy storage system}, journal = {Chemical Engineering Journal}, volume = {290}, year = {2016}, month = {APR}, pages = {161-173}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Natural gas (NG) is the cleanest burning fossil fuel and its usage can significantly reduce CO2 emissions from power plants. With its widespread use, there is an ever increasing need to develop technologies to store NG on a large scale. NG storage via clathrate hydrates is the best option for a large scale storage system because of its non-explosive nature, mild storage conditions, high volumetric capacity and being an environmentally benign process. In this work, we demonstrate a new method to achieve rapid methane hydrate formation in an unstirred tank reactor configuration (UTR) at moderate temperature and pressure conditions employing tetrahydrofuran (THF) as a promoter. For the first time, THF is reported to act both as a thermodynamic and an excellent kinetic promoter for methane hydrate formation. We demonstrate a multi-scale experimental validation of our method to a volumetric sample scale-up factor of 120 and internal reactor diameter scale-up factor of 10. Further, new insights on the dissociation behavior of the hydrates are reported. There is a competitive edge for storing NG via clathrate hydrates compared to compressed natural gas storage both in terms of cost and safety. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Energy storage, Enhanced kinetics, Gas hydrates, Natural gas storage, Tetrahydrofuran, Unstirred tank reactor}, issn = {1385-8947}, doi = {10.1016/j.cej.2016.01.026}, author = {Veluswamy, Hari Prakash and Wong, Alison Jia Hui and Babu, Ponnivalavan and Kumar, Rajnish and Kulprathipanja, Santi and Rangsunvigit, Pramoch and Linga, Praveen} } @article { ISI:000371566100001, title = {Recent advances in N-heterocyclic carbene (NHC)-catalysed benzoin reactions}, journal = {Beilstein Journal of Organic Chemistry}, volume = {12}, year = {2016}, month = {MAR}, pages = {444-461}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {
N-Heterocyclic carbenes (NHCs) have emerged as a powerful class of organocatalysts that mediate a variety of organic transformations. The Benzoin reaction constitutes one of the earliest known carbon-carbon bond-forming reactions catalysed by NHCs. The rapid growth of NHC catalysis in general has resulted in the development of a variety of benzoin and benzoin-type reactions. An overview of such NHC-catalysed benzoin reactions is presented.
}, keywords = {acyloin reaction, benzoin reaction, N-heterocyclic carbenes, organocatalysis, umpolung}, issn = {1860-5397}, doi = {10.3762/bjoc.12.47}, author = {Menon, Rajeev S. and Biju, Akkattu T. and Nair, Vijay} } @article {42420, title = {Recent advances in N-heterocyclic carbene (NHC)-catalysed benzoin reactions (vol 12, pg 444, 2016)}, journal = {Beilstein Journal of Organic Chemistry}, volume = {12}, year = {2016}, month = {OCT}, pages = {2124-2124}, keywords = {acyloin reaction; benzoin reaction; N-heterocyclic carbenes; organocatalysis; umpolung}, doi = {10.3762/bjoc.12.201}, author = {Menon, Rajeev S. and Biju, Akkattu T. and Nair, Vijay} } @article { ISI:000375837100034, title = {Reclassification of bacillus isronensis shivaji et al. 2009 as solibacillus isronensis comb. nov and emended description of genus solibacillus krishnamurthi et al. 2009}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {66}, number = {5}, year = {2016}, month = {MAY}, pages = {2113-2120}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {
An investigation into the taxonomic position of Bacillus isronensis MTCC 7902(T) revealed that the strain shares a common phylogenetic lineage with Solibacillus silvestris MTCC 10789(T). It displays considerable overlap in phenotypic properties with the genus Solibacillus, including endospore shape and position, oxidase and catalase activities, presence of iso-C-15 : 0, C-16 : (1)omega 7c alcohol and iso-C-17 : 1 omega 7c as major cellular fatty acids, A4 alpha-type cell-wall peptidoglycan, polar lipids and menaquinone pattern. These features reinforce the findings of molecular phylogenetic analyses based on 16S rRNA gene, gyrB gene and 16S-23S internal transcribed spacer (ITS) region sequences and, in line with the recommendations of Kampfer et al. [Int J Syst Evol Microbiol 56 (2006), 781-786], provide justification for the transfer of Bacillus isronensis from the genus Bacillus to Solibacillus as Solibacillus isronensis comb. nov. The type strain is B3W22(T) (=MTCC 7902(T) =DSM 21046(T) =JCM 13838(T)). An emended description of the genus Solibacillus is also provided.
}, issn = {1466-5026}, doi = {10.1099/ijsem.0.000982}, author = {Mual, Poonam and Singh, Nitin Kumar and Verma, Ashish and Schumann, Peter and Krishnamurthi, Srinivasan and Dastager, Syed Gulam and Mayilraj, Shanmugam} } @article {45869, title = {Recursive orthogonal least square based soft sensor for batch distillation}, journal = {Chemical product and process modeling}, volume = {11}, year = {2016}, month = {SEP}, pages = {241-263}, type = {Article}, abstract = {A multiple-input and multiple-output (MIMO) model, namely Recursive Orthogonal Least Square (ROLS) based radial basis function (RBF) is developed to estimate product compositions in a batch distillation process from temperature measurements. The process data is generated by simulating the differential equations of the batch distillation process, changing the initial feed composition and boiluprate from batch to batch. Moreover, the reflux ratio is also randomly varied within each batch to represent the exact dynamics of the batch distillation. Temperature and distillate composition is correlated by the RBF trained by ROLS algorithm. A Single RBF network estimate the quality of products in real-time. The results show that ROLS based estimator give correct composition estimations for a batch distillation process. The robustness of the ROLS algorithm and low computational requirement makes the estimator attractive for on-line use. }, doi = {10.1515/cppm-2015-0071}, author = {Mehta, S. and Ramani, H. and Yelgatte, N. N. and Rahman, I.} } @article {43602, title = {Red mud and li-ion batteries: a magnetic connection}, journal = {Chemsuschem}, volume = {9}, year = {2016}, month = {AUG}, pages = {2193-2200}, abstract = {Exceptional Li-ion battery performance is presented with the oxide component of the anode was extracted from red mud by simple magnetic separation and applied directly without any further processing. The extracted material has -Fe2O3 as the major phase with inter-dispersed phases of Ti, Al, and Si oxides. In a half-cell assembly, the phase displayed a reversible capacity (approximate to 697mAhg(-1)) with excellent stability upon cycling. Interestingly, the stability is rendered by the multiphase constitution of the material with the presence of other electrochemically inactive metal oxides, such as Al2O3, SiO2, and Fe2TiO4, which could accommodate the strain and facilitate release during the charge-discharge processes in the electrochemically active maghemite component. We fabricated the full-cell assembly with eco-friendly cathode LiMn2O4 by adjusting the mass loading. Prior to full-cell assembly, an electrochemical pre-lithiation was enforced to overcome the irreversible capacity loss obtained from the anode. The full-cell delivered a capacity of approximate to 100mAhg(-1) (based on cathode loading) with capacity retention of approximate to 61\% after 2000cycles under ambient conditions.}, doi = {10.1002/cssc.201600561}, author = {Suryawanshi, Anil and Aravindan, Vanchiappan and Madhavi, Srinivasan and Ogale, Satishchandra B.} } @article {45632, title = {Reduced graphene oxide modified electrodes for sensitive sensing of gliadin in food samples}, journal = {ACS Sensors}, volume = {1}, year = {2016}, month = {DEC}, pages = {1462-1470}, type = {Article}, abstract = {
Incidences of food allergies are on the rise, which can greatly affect the well-being of children as well as adults. Intolerance to gluten, a protein composite of gliadin and glutenin, present in wheat, barley, and rye and several cereals, can be the causative agent of celiac disease (CD) and other allergic reactions. A gluten-free diet has become essential for people affected by CD, and consequently, the amount of gluten in food products needs to be strictly controlled. In this paper, we report an electrochemical label-free immunosensor for ultrasensitive and specific detection of gliadin. The sensor takes advantage of the specific properties of porous reduced graphene oxide (prGO) covalently functionalized with anti-gliadin antibodies using 1-pyrenecarboxylic acid as linker molecule. Using differential pulse voltammetry (DPV) and [Fe(CN)6](3-/4-) as a redox probe, a decrease of current is linked to the presence of gliadin. The sensor achieved a detection limit of 1.2 ng mL(-1) over a 1.2-34 ng mL(-1) linear range with high selectivity. The advantages offered by this sensor are the possibility to regenerate the surface of the immunosensor, its rapid and ease of production, as well as applicability for the screening of gliadin concentrations in real food samples, as shown here.
}, keywords = {anti-gliadin antibody, food samples, gliadin, Immunosensor, Porous reduced graphene oxide}, issn = {2379-3694}, doi = {10.1021/acssensors.6b00608}, author = {Chekin, Fereshteh and Singh, Santosh K. and Vasilescu, Alina and Dhavale, Vishal M. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {43403, title = {Reductive cyclization of levulinic acid to gamma-valerolactone over non-noble bimetallic nanocomposite}, journal = {Industrial \& Engineering Chemistry Research}, volume = {55}, year = {2016}, month = {DEC}, pages = {13032-13039}, abstract = {Bimetallic nanoparticles have diverse applications in catalytic processes owing to the differences in individual properties that contribute to their increased catalytic activity. To further improve the efficiency, they are dispersed in an inert support that enhances the catalytic activity toward organic transformations. In this study, we report simple, facile, and cost-effective chemical route for the fabrication of nanocomposites with Fe-Ni bimetallic nanoparticles supported on montmorillonite (MMT) possessing variation in the Fe and Ni content. These composites are characterized with X-ray diffraction, transmission electron microscopy surface area, and NH3-TPD. Fe Ni bimetallic nanoparticles are well-dispersed within MMT structure having particle sizes of about 30-40 nm. Among various compositions of Fe-Ni/MMT catalysts, composite with 25\% Fe and 25\% Ni exhibits >99\% LA conversion with 98\% selectivity to GVL within 1 h. IPA is found to be better solvent for levulinic acid (LA) to gamma-valerolactone (GVL) conversion, while substantial leaching of iron takes place when water is used as a solvent. It is observed that bimetallic sites are responsible for reduction of LA, while strong acidic sites of MMT are favoring subsequent cyclization to GVL. XPS analysis of fresh and reused Fe-Ni/MMT composites suggest that the catalyst surface does not undergo any chemical change during successive cycles, and the catalytic activity is retained up to six cycles. The plausible mechanism for LA to GVL conversion involves reductive cyclization processes through formation of levulinate ester that undergoes lactonization due to synergism in bimetallic nanoparticles and MMT clay.}, doi = {10.1021/acs.iecr.6b03900}, author = {Kadu, Brijesh S. and Hengne, Amol M. and Biradar, Narayan S. and Rode, Chandrashekhar V. and Chikate, Rajeev C.} } @article { ISI:000378392200016, title = {Reductive nitrosylation of nickel(II) complex by nitric oxide followed by nitrous oxide release}, journal = {Dalton Transactions}, volume = {45}, number = {25}, year = {2016}, month = {MAY}, pages = {10200-10208}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Ni(II) complex of ligand L (L = bis(2-ethyl-4-methylimidazol-5-yl)methane) in methanol solution reacts with an equivalent amount of NO resulting in a corresponding Ni(I) complex. Adding further NO equivalent affords a Ni(I)-nitrosyl intermediate with the {NiNO}(10) configuration. This nitrosyl intermediate upon subsequent reaction with additional NO results in the release of N2O and formation of a Ni(II)-nitrito complex. Crystallographic characterization of the nitrito complex revealed a symmetric eta(2)-O,O-nitrito bonding to the metal ion. This study demonstrates the reductive nitrosylation of a Ni(II) center followed by N2O release in the presence of excess NO.
}, issn = {1477-9226}, doi = {10.1039/c6dt00826g}, author = {Ghosh, Somnath and Deka, Hemanta and Dangat, Yuvraj B. and Saha, Soumen and Gogoi, Kuldeep and Vanka, Kumar and Mondal, Biplab} } @article { ISI:000369545400074, title = {Re-engineering of PIP3-antagonist triazole PITENIN{\textquoteright}s chemical scaffold: development of novel antifungal leads}, journal = {RSC Advances}, volume = {6}, number = {14}, year = {2016}, month = {JAN}, pages = {11691-11701}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A novel 4-(1-phenyl-1-hydroxyethyl)-1-(o-hydroxyphenyl)-1H-1,2,3-triazole was designed by integrating the structural features of triazole PITENIN anticancer agents and the azole class of antifungal drugs. A two-step protocol comprising the Barbier propargylation and Cu-catalyzed azide-alkyne cycloaddition was established to synthesise a diverse set of compounds of this class. Their screening against a wide range of human fungal pathogens led to identification of several potential antifungal hits and some of them displayed better antifungal activity than fluconazole against Candida glabrata, Cryptococcus neoformans, Aspergillus fumigatus and Aspergillus niger. Mode of action studies revealed that their antifungal activity was resulting either from the inhibition of lanosterol 14 alpha-demethylase enzyme (leading to ergosterol depletion) or by the generation of reactive oxygen species (ROS).
}, issn = {2046-2069}, doi = {10.1039/c5ra25145a}, author = {Pulya, Sravani and Kommagalla, Yadagiri and Sant, Duhita G. and Jorwekar, Shweta U. and Tupe, Santosh G. and Deshpande, Mukund V. and Ramana, Chepuri V.} } @article { ISI:000369771800040, title = {Regioselective oxo-amination of alkenes and enol ethers with N-bromosuccinimide-dimethyl sulfoxide combination: a facile synthesis of alpha-amino-ketones and esters}, journal = {Organic Letters}, volume = {18}, number = {3}, year = {2016}, month = {FEB}, pages = {500-503}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An unprecedented conversion of alkenes and enol ethers to the corresponding a-imido carbonyl compounds with excellent regioselectivity and yields has been developed. This oxo-amination process employs readily available N-bromosuccinimide (NBS) and secondary amines as N-sources and dimethyl sulfoxide (DMSO) as the oxidant and also leads to the production of amino alcohols in a single step on reduction, thus broadening the scope of this operationally simple reaction. For the first time, the formation of reactive Me2S+-O-Br species generated by the interaction of NBS with DMSO has been proven.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b03540}, author = {Prasad, Pragati K. and Reddi, Rambabu N. and Sudalai, Arumugam} } @article { ISI:000377497000004, title = {Relativistic coupled-cluster study of RaF as a candidate for the parity- and time-reversal-violating interaction}, journal = {Physical Review A}, volume = {93}, number = {6}, year = {2016}, month = {JUN}, pages = {062506}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {
We have employed both the Z-vector method and the expectation-value approach in the relativistic coupled-cluster framework to calculate the scalar-pseudoscalar (S-PS) P, T-odd interaction constant W-s and the effective electric field E-eff experienced by the unpaired electron in the ground electronic state of RaF. Further, the magnetic hyperfine structure constants of Ra-223 in RaF and Ra-223(+) are also calculated and compared with the experimental values wherever available to judge the extent of the accuracy obtained with the employed methods. The outcome of our study reveals that the Z-vector method is superior to the expectation-value approach in terms of accuracy obtained for the calculation of ground-state property. The Z-vector calculation shows that RaF has a high Eeff (52.5 GV/cm) and W-s (141.2 kHz), which makes it a potential candidate for the electric dipole moment of the electron (eEDM) experiment. An estimation of uncertainty associated with our final results is made, and it is found that it lies below 10\%.
}, issn = {2469-9926}, doi = {10.1103/PhysRevA.93.062506}, author = {Sasmal, Sudip and Pathak, Himadri and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {42619, title = {Relativistic equation-of-motion coupled-cluster method for the electron attachment problem}, journal = {Computational and Theoretical Chemistry}, volume = {1076}, year = {2016}, month = {JAN}, pages = {94-100}, abstract = {
The article considers the successful implementation of relativistic equation-of-motion coupled cluster method for the electron attachment problem (EA-EOMCC) at the level of single- and double- excitation approximation. The implemented relativistic EA-EOMCC method is employed to calculate ionization potential values of alkali metal atoms (Li, Na, K, Rb, Cs, Fr) and the vertical electron affinity values of LiX (X = H, F, Cl, Br), NaY (Y = H, F, Cl) starting from their closed-shell configuration. Both four component and exact two-component calculations are done for all the opted systems. Further, we have shown the effect of spin-orbit interaction considering the atomic systems. The results of our atomic calculations are compared with the values from the NIST database and the results are found to be very accurate (\<1\%). (C) 2015 Elsevier B.V. All rights reserved.
}, doi = {10.1016/j.comptc.2015.12.015}, author = {Pathak, Himadri and Sasmal, Sudip and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {45870, title = {Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: application to ionization potential}, journal = {Journal of Chemical Physics}, volume = {145}, year = {2016}, month = {AUG}, type = {Article}, chapter = {074110}, abstract = {The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximations using the Dirac-Coulomb Hamiltonian. At the first attempt, the implemented method is employed to calculate ionization potential value of heavy atomic (Ag, Cs, Au, Fr, and Lr) and molecular (HgH and PbF) systems, where the effect of relativity does really matter to obtain highly accurate results. Not only the relativistic effect but also the effect of electron correlation is crucial in these heavy atomic and molecular systems. To justify the fact, we have taken two further approximations in the four-component relativistic equation-of-motion framework to quantify how the effect of electron correlation plays a role in the calculated values at different levels of theory. All these calculated results are compared with the available experimental data as well as with other theoretically calculated values to judge the extent of accuracy obtained in our calculations. }, doi = {10.1063/1.4960954}, author = {Pathak, H. and Sasmal, S. and Nayak, M. K. and Vaval, N. and Pal, S.} } @article {45871, title = {Relevance of small laboratory animals as models in translational research: challenges and road ahead}, journal = {Journal of Applied Pharmaceutical Science}, volume = {6}, year = {2016}, month = {MAY}, pages = {198-209}, type = {Article}, abstract = {Translational research using small laboratory animals is being done to demonstrate proof of concept, to study pharmacokinetics as well as to understand efficacy and safety of new drug molecules. During the evaluation of a drug candidate, the assessment of efficacy and safety is normally performed in different experiments using various animal models. In such experiments, efficacy is assessed by mimicking the disease state in animal model while safety is investigated in healthy animals. Inventing new drugs using biotechnological and nanotechnological approaches is becoming a major thrust area in drug research. Apart from this, the development of medicine from traditional knowledge like Ayurveda has emerged as major area for drug industry. Use of conventional in-vivo approaches may not prove useful to answer many questions. Transgenic/knock-out/knock-in animals are now getting space in pharmaceutical research for target identification and validation. Predictability of in-vivo research depends on scientific protocols and methods adopted for model selection and development. Various alternative approaches for in-vivo research are being followed. It is a fact that no animal model is 100 \% capable of mimicking the complex human body but still, researchers have not yet found any alternative model which can completely replace in-vivo models. This review is a holistic approach explaining the various animal models being used for translational research, animal ethical issues, alternative approaches available and provides a critical analysis of major issues/challenges faced in translational research using in-vivo approaches. }, doi = {10.7324/JAPS.2016.60531}, author = {Siddiqui, E. A. and Jagdale, P. and Ahire, K. and Jadhav, S. and Khan, S. A. and Bhosle, S. and Pal, A. and Jamdagni, P. and Chaudhari, B.} } @inbook {45872, title = {Remediation of domestic and industrial effluents using algae}, booktitle = {Algal Biorefinery: An Integrated Approach}, year = {2016}, pages = {401-437}, publisher = {Springer International Publishing}, organization = {Springer International Publishing}, abstract = {In the environment, microbial activity is considered as one of the most important mechanisms for the abatement of water-borne pollutants. In the natural and anthropogenic environment the wide range of contaminates are not eliminated by single specie but by the complex interaction of a mixed microbial population performing complementary reactions. This principle is very much applicable for the treatment of the industrial and domestic wastewater, which has excess of nitrogenous compounds (N) and phosphates (P). N and P along with various organic pollutants, if not properly treated, would create a devastating impact on natural aquatic ecosystems. Among the many other disturbing impacts, most prevalent is the phenomenon of eutrophication, which is the accumulation of high levels of organic matter and the decomposing organisms, which deplete the oxygen in water, and causing the death of other organisms, such as fish. The excess nutrients in the aquatic ecosystem support the growth of various phytoplanktons. It not only spoils the water quality but also adversely affects the whole aquatic ecosystem. This chapter will address the possibility of effectively utilizing a natural microbial flora/consortium, enriched with the rapidly growing algae for the remediation of polluted water bodies.}, issn = {978-331922813-6;978-331922812-9}, doi = {10.1007/978-3-319-22813-6_18}, author = {Nene, S. N. and Gera, G. and Yewalkar, S. N.} } @article {45877, title = {Removal of arsenite [As(III)] and arsenate [As(V)] ions from wastewater using TFA and TAFA resins: computational intelligence based reaction modeling and optimization}, journal = {Journal of environmental chemical engineering}, volume = {4}, year = {2016}, month = {DEC}, pages = {4275-4286}, type = {Article}, abstract = {Being significantly toxic, removal of arsenic forms an important part of the drinking- and waste-water treatment. Tannin is a polyphenol-rich substrate that efficiently and adsorptively binds to the multivalent metal ions. In this study, tannin-formaldehyde (TFA) and tannin-aniline-formaldehyde (TAFA) resins were synthesized and employed successfully for an adsorptive removal of arsenite [As(III)] and arsenate [As(V)] ions from the contaminated water. Next, a computational intelligence (CI) based hybrid strategy was used to model and optimize the resin-based adsorption of As(III) and As(V) ions for securing optimal reaction conditions. This strategy first uses an exclusively reaction data driven modeling strategy, namely, genetic programming (GP) to predict the extent (\%) of As(III)/As(V) adsorbed on TFA and TAFA resins. Next, the input space of the GP-based models consisting of the reaction condition variables/parameters was optimized using genetic algorithm (GA) method; the objective of this optimization was to maximize the adsorption of As(III) and As(V) ions on the two resins. Finally, the sets of optimal reaction conditions provided by GP-GA hybrid method were verified experimentally the results of which indicate that the optimized conditions have lead to 0.3\% and 1.3\% increase in the adsorption of As(III) and As(V) ions on TFA resin. More significantly, the optimized conditions have increased the adsorption of As(III) and As(V) on TAFA resin by 3.02\% and 12.77\%, respectively. The GP-GA based strategy introduced here can be gainfully utilized for modeling and optimization of similar type of contaminant-removal processes. }, doi = {10.1016/j.jece.2016.09.030}, author = {Patil-Shinde, V. and Mulani, K. B. and Donde, K. and Chavan, N. N. and Ponrathnam, S. and Tambe, S. S.} } @article { ISI:000381235800004, title = {Replica exchange molecular dynamics study of dimerization in prion protein: multiple modes of interaction and stabilization}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {30}, year = {2016}, month = {AUG}, pages = {7332-7345}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The pathological forms of prions are known to be a result of misfolding, oligomerization, and aggregation of the cellular prion. While the mechanism of misfolding and aggregation in prions has been widely studied using both experimental and computational tools, the structural and energetic characterization of the dimer form have not garnered as much attention. On one hand dimerization can be the first step toward a nucleation-like pathway to aggregation, whereas on the other hand it may also increase the conformational stability preventing self-aggregation. In this work, we have used extensive all-atom replica exchange molecular dynamics simulations of both monomer and dimer forms of a mouse prion protein to understand the structural, dynamic, and thermodynamic stability of dimeric prion as compared to the monomeric form. We show that prion proteins can dimerize spontaneously being stabilized by hydrophobic interactions as well as intermolecular hydrogen bonding and salt bridge formation. We have computed the conformational free energy landscapes for both monomer and dimer forms to compare the thermodynamic stability and misfolding pathways. We observe large conformational heterogeneity among the various modes of interactions between the monomers and the strong intermolecular interactions may lead to as high as 20\% beta-content. The hydrophobic regions in helix-2, surrounding coil regions, terminal regions along with the natively present beta-sheet region appear to actively participate in prion-prion intermolecular interactions. Dimerization seems to considerably suppress the inherent dynamic instability observed in monomeric prions, particularly because the regions of structural frustration constitute the dimer interface. Further, we demonstrate an interesting reversible coupling between the Q160-G131 interaction (which leads to inhibition of beta-sheet extension) and the G131-V161 H-bond formation.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b03690}, author = {Chamachi, Neharika G. and Chakrabarty, Suman} } @article { ISI:000373762400005, title = {Reporter nanoparticle that monitors its anticancer efficacy in real time}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {113}, number = {15}, year = {2016}, month = {APR}, pages = {E2104-E2113}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {
The ability to monitor the efficacy of an anticancer treatment in real time can have a critical effect on the outcome. Currently, clinical readouts of efficacy rely on indirect or anatomic measurements, which occur over prolonged time scales postchemotherapy or postimmunotherapy and may not be concordant with the actual effect. Here we describe the biology-inspired engineering of a simple 2-in-1 reporter nanoparticle that not only delivers a cytotoxic or an immunotherapy payload to the tumor but also reports back on the efficacy in real time. The reporter nanoparticles are engineered from a novel two-staged stimuli-responsive polymeric material with an optimal ratio of an enzyme-cleavable drug or immunotherapy (effector elements) and a drug function-activatable reporter element. The spatiotemporally constrained delivery of the effector and the reporter elements in a single nanoparticle produces maximum signal enhancement due to the availability of the reporter element in the same cell as the drug, thereby effectively capturing the temporal apoptosis process. Using chemotherapy-sensitive and chemotherapy-resistant tumors in vivo, we show that the reporter nanoparticles can provide a real-time noninvasive readout of tumor response to chemotherapy. The reporter nanoparticle can also monitor the efficacy of immune checkpoint inhibition in melanoma. The self-reporting capability, for the first time to our knowledge, captures an anticancer nanoparticle in action in vivo.
}, keywords = {chemotherapy, immunotherapy, monitoring, nanoparticle, reporter}, issn = {0027-8424}, doi = {10.1073/pnas.1603455113}, author = {Kulkarni, Ashish and Rao, Poornima and Natarajan, Siva and Goldman, Aaron and Sabbisetti, Venkata S. and Khater, Yashika and Korimerla, Navya and Chandrasekar, Vineethkrishna and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article {42900, title = {Repurposing of a drug scaffold: identification of novel sila analogues of rimonabant as potent antitubercular agents}, journal = {European Journal of Medicinal Chemistry}, volume = {122}, year = {2016}, month = {OCT}, pages = {723-730}, abstract = {
The structural similarity between an MmpL3 inhibitor BM212, and a cannabinoid receptor modulator rimonabant, prompted us to investigate the anti-tubercular activity of rimonabant and its analogues. Further optimization, particularly through incorporation of silicon into the scaffold, resulted in new compounds with significant improvement in anti-tubercular activity against Mycobacterium tuberculosis (H37Rv). The sila analogue 18a was found to be the most potent antimycobacterial compound (MIC, 31 ng/mL) from this series with an excellent selectivity index. (C) 2016 Elsevier Masson SAS. All rights reserved.
}, doi = {10.1016/j.ejmech.2016.07.009}, author = {Ramesh, Remya and Shingare, Rahul D. and Kumar, Vinod and Anand, Amitesh and Swetha, B. and Veeraraghavan, Sridhar and Viswanadha, Srikant and Ummanni, Ramesh and Gokhale, Rajesh S. and Reddy, D. Srinivasa} } @article { ISI:000374876700814, title = {Repurposing of old drugs: identification of novel sila analogues of rimonabant as potent antitubercular agents}, journal = {International Journal of Infectious Diseases}, volume = {45}, number = {1}, year = {2016}, month = {APR}, pages = {407-408}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, issn = {1201-9712}, doi = {10.1016/j.ijid.2016.02.870}, author = {Ramesh, R. and Shingare, R. and Anand, Amitesh and Veeraraghavan, S. and Viswanadha, S. and Ummanni, R. and Gokhale, R. and Reddy, D. S.} } @article { ISI:000374349600022, title = {Residue dependent hydrogen-bonding preferences in orthanilic acid-based short peptide beta-turn motifs}, journal = {RSC Advances}, volume = {6}, number = {42}, year = {2016}, month = {MAR}, pages = {35328-35331}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
This communication describes the competition between native beta-turn (C10) and 2-aminobenzenesulfonic acid (SAnt)( orthanilic acid)-based pseudo beta-turn (C11) in their hybrid peptides. Solid-state crystal structure and solution-state NMR studies revealed that C10 and C11 can be simultaneously observed under appropriate conditions. The variable temperature NMR coefficient data suggest that the isolated C11/C14 hydrogen bond is weaker in comparison with the consecutive C10 and C11 turns.
}, issn = {2046-2069}, doi = {10.1039/c6ra05684a}, author = {Jedhe, Ganesh S. and Vijayadas, Kuruppanthara N. and Kotmale, Amol S. and Sangtani, Ekta and Shinde, Dinesh R. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000373481000005, title = {Restricted diet breadth of the larvae of antheraea assamensis and the role of the labrum-epipharynx and galeal sensilla}, journal = {Entomological Research}, volume = {46}, number = {2}, year = {2016}, month = {MAR}, pages = {128-138}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
The silkworm, Antheraea assamensisHelfer (Lepidoptera: Saturniidae), grows primarily on Persea bombycina and Litsea polyantha. To understand if the restricted diet breadth is due to the specific role of gustatory sensilla of the larvae of A.assamensis, the same fifth instar larvae retaining only labrum-epipharynx or galeal sensilla were subjected to food choice tests. The foods used were leaves of two host-plant and two non-host-plant species. Mean per cent consumption and per cent of choosing larvae were used as parameters for drawing conclusions. The finding indicated involvement of the labrum-epipharynx for acceptance and galeal sensilla for rejection of a non-host-plant species. Scanning electron microscope studies revealed the presence of two sensilla on the galea, one lateral and one medial sensilla styloconicum and two gustatory sensilla in the epipharynx of A.assamensis. The study revealed the key role of galeal sensilla in the restrictive diet-breadth of A.assamensis.
}, keywords = {food choice, galea, gustatory organs, labrum}, issn = {1738-2297}, doi = {10.1111/1748-5967.12159}, author = {Bora, Dipsikha S. and Deka, Bhabesh and Sen, Avolikiteswar} } @article { ISI:000371664700022, title = {Rhodium-catalyzed ortho C-H bond activation of arylamines for the synthesis of quinoline carboxylates}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, number = {10}, year = {2016}, month = {FEB}, pages = {2969-2977}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
The rhodium catalyzed annulation of anilines with alkynic esters allowing for the high-yield synthesis of quinoline carboxylates with excellent regioselectivity is described. This unprecedented reaction employs either formic acid as the C1 source and reductant or copper(II) as the oxidant and is proposed to proceed via rhodacycle of in situ generated amide and enamine ester followed by ortho C-H activation of arylamines with rhodium as the catalyst.
}, issn = {1477-0520}, doi = {10.1039/c6ob00170j}, author = {Gadakh, Sunita K. and Dey, Soumen and Sudalai, A.} } @article {43589, title = {RNAi of selected candidate genes interrupts growth and development of Helicoverpa armigera}, journal = {Pesticide Biochemistry and Physiology}, volume = {133}, year = {2016}, month = {OCT}, pages = {44-51}, abstract = {Helicoverpa armigera is one of the major crop pests and is less amenable to current pest control approaches. RNA interference (RNAi) is emerging as a potent arsenal for the insect pest control over current methods. Here, we examined the effect on growth and development in H. armigera by targeting various enzymes/proteins such as proteases like trypsins (HaTry2, 3, 4 and 6), chymotrypsin (HaChy4) and cysteine protease like cathepsin (HaCATHL); glutathione S-transferases (HaGST1a, 6 and 8); esterases (HaAce4, HaJHE); catalase (HaCAT); super-oxide-dismutase (HaCu/ZnSOD); fatty acid binding protein (HaFabp) and chitin deacetylase (HaCda5b) through dsRNA approach. Significant downregulation of cognate mRNA expression and reduced activity of trypsin and GST-like enzyme were evident upon feeding candidate dsRNAs to the larvae. Among these, the highest mortality was observed in HaAce4 dsRNA fed larvae followed by HaJHE; HaCAT; HaCuZnSOD; HaFabp and HaTry3 whereas remaining ones showed relatively lower mortality. Furthermore, the dsRNA fed larvae showed significant reduction in the larval mass and abnormalities at the different stages of H. armigera development compared to their control diets. For example, malformed larvae, pupae and moth at a dose of 60 pg/day were evident in high number of individual insects fed on dsRNA containing diets. Moreover, the growth and development of insects and moths were retarded in dsRNA fed larvae. These findings might provide potential new candidates for designing effective dsRNA as pesticide in crop protection. (C) 2016 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.pestbp.2016.03.006}, author = {Chikate, Yojana R. and Dawkar, Vishal V. and Barbole, Ranjit S. and Tilak, Priyadarshini V. and Gupta, Vidya S. and Giri, Ashok P.} } @article {43579, title = { Robust highly flexible all-solid-state micro pseudocapacitor based on ternary oxide CuCo2O4 having ultrathin porous nanowall type morphology blended with CNT}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {OCT}, pages = {5159-5164}, abstract = {In this work we demonstrate a facile approach to the fabrication of all solid state flexible interdigitated micro pseudocapacitor device using pre-synthesized CuCo2O4 (CCO) ternary metal oxide as the electrode material. The hydrothermally synthesized CCO exhibits a peculiar 3D interconnected aligned porous nanowall type morphology which is highly desirable for storage as well as charge transfer. The device is fabricated using CO2 laser scribing technique and the PVA-H3PO4 gel electrolyte is used as the electrolyte. The as-synthesized CCO as well as its blend with 10 wt.\% CNT are examined for the electrochemical performance. CNT blending is shown to reduce the charge transfer resistance dramatically, thereby enhancing the pseudo capacitance. The areal capacitance of 2.29 mF cm(-2) is obtained from the solid state device. Moreover, the CCO-CNT electrode also shows a high stability upto 9000 cycles without a sign of further decay. Importantly, the devices also retain over 65\% of their initial capacitance after 1000 large angle (608) bending cycles and 93\% of the initial capacitance under 1208 bending condition, thanks to the mechanical flexibility afforded by CNTs without disrupting conducting paths.}, doi = {10.1002/slct.201601348}, author = {Basu, Aniruddha and Bhardwaj, Monika and Gawli, Yogesh and Rode, Chandrasekhar V. and Ogale, Satishchandra B.} } @article {43591, title = {Role of acceptor strength on OFET properties of small molecular organic semiconducting materials with D-A-D architecture}, journal = {Synthetic Metals}, volume = {220}, year = {2016}, month = {OCT}, pages = {236-246}, abstract = {Two organic semiconducting materials 2,5-didodecyl-3,6-bis(4-(11-dodecyl-11H-benzo[a]carbazol-8yl)phenyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione. (BCDPP) and 1,5-didodecyl-3,7-bis(4-(11-dodecyl-11H-benzo[a]carbazol-8-yl)phenyl)dipyrrolo[3,2-b:3{\textquoteright},2{\textquoteright}-e]pyrazine-2,6(1H,5H)-dione (BCPzDP) with D-A-D architecture have been designed, synthesized and well characterized. Both the materials have benzocarbazole donor end-capping units. While BCDPP contains well explored diketopyrrolopyrrole (DPP), BCPzDP possesses electron deficient dipyrrolopyrazinedione (PzDP) as acceptor moiety. The importance of the nature of acceptor moiety in tuning the charge transport properties of the synthesized materials is explored. Thermal, photo-physical and electrochemical properties of these materials are measured and solution processed OFETs are fabricated. OFETs with BCDPP show unipolar p-type semiconducting properties with hole mobility of 1.02 x 10(-4) cm(2) V-1 s(-1) and OFETs of BCPzDP exhibit ambipolar charge transport behaviour with optimal saturation hole and electron mobilities of 0.0054 and 0.0013 cm(2) V-1 s(-1), respectively. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.synthmet.2016.06.006}, author = {Sasikumar, M. and Bharath, D. and Kumar, G. Siva and Chereddy, Narendra Reddy and Chithiravel, S. and Krishnamoorthy, K. and Shanigaram, Balaiah and Bhanuprakash, K. and Rao, V. Jayathirtha} } @article {43592, title = {Role of aliasing and interacting factors in the enhanced production of dehalogenase from Yarrowia lipolytica for degradation of brominated compounds}, journal = {Journal of Industrial and Engineering Chemistry}, volume = {41}, year = {2016}, month = {SEP}, pages = {114-121}, abstract = {Use of persistent organobromines for industrial applications has led to their accumulation in environment. Yarrowia lipolytica NCIM 3589, a tropical marine yeast, degrades and detoxifies bromocompounds by an initial hydrolytic step. By optimizing culture conditions with 1-bromodecane as reference compound, the dehalogenase involved was remarkably enhanced 13-fold (384.13 U/ml) by a hybrid statistical Plackett-Burman and Box-Behnken design of experiments. Studies bring out in a novel way the role of aliasing and other masked interactions in growth media factors. Importantly, the enzyme acted on C3-C16 bromoalkanes and bromoaromatics, thereby generalizing the {\textquoteright}green chemistry{\textquoteright} applicability of optimized media formulation for biotechnological applications. (C) 2016 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jiec.2016.07.015}, author = {Vatsal, Aakanksha and Potdar, Chirag and Smita S. Zinjarde and Kumar, V. Ravi and Kulkarni, Bhasker D. and RaviKumar, Ameeta} } @article { ISI:000370489600002, title = {Role of aliphatic hydrocarbon content in non-solvating porogens toward porosity of cross-linked microbeads}, journal = {Polymer}, volume = {86}, year = {2016}, month = {MAR}, pages = {8-14}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {
Megaporous spherical acrylate copolymer beads were synthesized by suspension polymerization using non-solvating porogens. Non-solvating porogens with higher aliphatic hydrocarbon content generated megaporous morphology with lower surface area. Surface area increased and inversely megaporosity was decreased with decrease in the aliphatic hydrocarbon content of porogen. Megaporosity (5.47 mu m) and pore volume of 5.52 cm(3)/g was obtained with n-decanol. Thermal property of copolymer is a function of type (rigidity/flexibility/elemental composition) and concentration (cross-link density) of monomer and cross-linker. Copolymer containing rigid cross-linker (divinylbenzene) had better thermal stability over copolymer with flexible cross-linker (ethylene dimethacrylate). Further, higher concentration of rigid cross-linker or lower concentration of flexible cross-linker enhanced the thermal stability. Porous polymers are potentially recognized as a solid support for solid-phase synthesis. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Cross-linked microbeads, Interfacial tension, Megaporosity, Non-solvating porogens, Thermal properties}, issn = {0032-3861}, doi = {10.1016/j.polymer.2016.01.022}, author = {Mane, Sachin and Badiger, Manohar V. and Rajan, C. R. and Ponrathnam, Surendra and Chavan, Nayaku} } @article {45873, title = {Role of helical spring locked washer in bolted join tanalysis: A review}, journal = {International Journal of Structural Integrity}, volume = {7}, year = {2016}, month = {JUN}, pages = {346-358}, type = {Article}, abstract = {Purpose-The purpose of this paper is to give a brief introduction of helical spring locked washer along with extensive literatures survey on role of helical spring locked washer in bolted joint analysis. It is very small component of bolted joint assembly, but it play vital role in holding the assembly components together. Helical shape of it produces spring effect in the assembly which is used for keeping the assembly in tension and that is lock the assembly under dynamic loading due to vibrations to avoid the accident. Design/methodology/approach-The critical literatures survey identifies role of helical spring locked washer in different areas such as design optimization, mechanism of loosening-resistant components, bolted joint analysis, finite element-based modeling, analysis and simulation. The related literatures show contribution of helical spring washers in evaluation of anti-loosening performance of assemblies as compare to other types of washers. Findings-It proposed that design optimization of helical spring locked washer is needed as it improves the performance in the form of load-deflection characteristics, load bearing capacity and provides the best locking force for optimize functionality. Originality/value-The originality or value of this paper is to finding research gaps in literatures by dividing literatures into seven different research areas and concentrating the only on role of helical spring locked washer in bolted joint analysis. }, doi = {10.1108/IJSI-04-2015-0012}, author = {Wagh, H. K. and Desale, G. R. and Tripathi, K.} } @article { ISI:000377239000034, title = {Role of primary and secondary surfactant layers on the thermal conductivity of lauric acid coated magnetite nanofluids}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {21}, year = {2016}, month = {JUN}, pages = {11640-11651}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Lauric (dodecanoic) acid coated magnetite nanoparticles with different amounts of primary and secondary surfactant layers on the surface of the nanoparticles have been synthesized. Two sets of the surfactant coated nanoparticles are prepared; one with a comparable amount of primary surfactant and the other with a comparable amount of secondary surfactant. Nanofluids are prepared by dispersing the surfactant coated nanoparticles in toluene. Stability of the nanofluids is found to decrease with increasing amount of secondary surfactant on the surface of the nanoparticles, due to the increased hydrophilic nature of the particles in the nonpolar solvent. Thermal conductivity and viscosity of the nanofluids are found to increase with increasing amount of the secondary surfactant layer on the surface of the nanoparticles. The enhanced thermal conductivity for fluids with particles having a larger amount of secondary surfactant is ascribed to the lower dispersibility of the particles in toluene due to the exposure of the acid group of the surfactant to the hydrophobic solvent, leading to aggregation of the particles. Only a small increase in the thermal conductivity is observed for fluids with a larger amount of primary surfactant on the surface of the nanoparticles due to the increased dispersibility owing to the large number of hydrophobic tail groups of the surfactant. A larger enhancement in the thermal conductivity is observed in the presence of a small magnetic field for the fluids containing particles with a lower amount of the secondary surfactant. The overall results suggest that the thermal conductivity of the nanofluids depend on the amount and nature of the primary and secondary surfactants on the dispersed particles which in turn determine the interaction between the base fluid and the surfactant and therefore the dispersibility and stability of the nanofluids.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b12476}, author = {Lenin, Ramanujam and Joy, Pattayil Alias} } @conference {45823, title = {Role of Rhamnolipid: A biosurfactant in methane gas hydrate formation kinetics}, booktitle = {Proceedings of The First International Conference on Recent Advances in Bioenergy Research}, year = {2016}, month = {FEB}, publisher = {Sardar Swaran Singh Natl Inst Bio-Energy}, organization = {Sardar Swaran Singh Natl Inst Bio-Energy}, address = {7th Floor, Vijaya Building, 17, Barakhamba Rd, New Delhi, 110 001, India}, abstract = {
Naturally occurring methane gas hydrate is a vast source of methane gas which is trapped in crystalline ice-like structure present in permafrost regions and under the sea in outer continental margins. It is purposed that total amount of carbon in the form of methane hydrates is almost twice the carbon content in all the fossil fuel reserves put together, and hence these are supposed to be the future potential energy resource. This paper investigates the laboratory investigations on effect of a biosurfactant rhamnolipid on methane hydrate formation kinetics. Rhamnolipid was produced by Pseudomonas aeruginosa strain A11. The presence of P. aeruginosa has been reported in Gulf of Mexico gas hydrate samples. Biosurfactant reduced the surface tension of water from 72 to 36 mN/m with CMC of 70 mg/L. The biosurfactant dose is studied at two different concentrations in the solution at 100 and 1000 ppm. Kinetic of hydrate formation and growth is compared at 0, 100, and 1000 ppm of rhamnolipid showing that rhamnolipid acts as a hydrate promoter at these concentrations. Thus, small dosages of rhamnolipids produced by P. aeruginosa strain A11 must clearly affect the gas hydrate formation kinetics in natural sites (as in Gulf of Mexico).
}, keywords = {Induction time, methane hydrate, Potential energy resource, Pseudomonas aeruginosa, Rhamnolipid}, isbn = {978-81-322-2773-1; 978-81-322-2771-7}, doi = {10.1007/978-81-322-2773-1_25}, author = {Arora, Amit and Cameotra, Swaranjit Singh and Kumar, Rajnish and Singh, Anil Kumar and Kumar, Pushpendra and Balomajumder, Chandrajit and Laik, Sukumar}, editor = {Kumar, S and Khanal, SK and Yadav, YK} } @article { ISI:000374626200020, title = {Role of surface synergistic effect on the performance of Ni-based hydrotalcite catalyst for highly efficient hydrogenation of furfural}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {417}, year = {2016}, month = {JUN}, pages = {153-162}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
The selective vapor phase hydrogenation of furfural at ambient pressure has been investigated using a facile and robust hydrotalcite derived Ni containing mixed oxide catalyst. The systematic characterization results conferred that the difficulty in the reduction of Ni species due to the strong interaction between Ni and support, which facilitated from the homogeneous distribution of hydrotalcite structure. It was also found that the structure and catalytic performance of the catalysts were greatly influenced by Ni loading. Through fine-tuned surface elemental sites and reaction conditions, furfural conversion of 98\% with 95\% of furfuryl alcohol selectivity was achieved over a MAN-2 catalyst containing two molar ratio of Ni. The results have demonstrated that the incorporation of Mg significantly enhances the Ni-support interaction, Ni dispersion and catalytic performance. The high efficiency of the Ni-based hydrotalcite derived catalyst was mainly attributed to the surface synergistic interaction between the catalytically active metallic Ni sites and the strong basic sites, which furnished an eco-benign and sustainable catalyst for the selective hydrogenation of furfural. Furthermore, the spent catalyst analysis substantiated that no significant difference in the catalyst phase was observed even after 48 h of reaction stream. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {alcohol-hydrotalcites-selective, Biomass-frurfural-furfuryl, Hydrogenation}, issn = {1381-1169}, doi = {10.1016/j.molcata.2016.03.019}, author = {Manikandan, Marimuthu and Venugopal, Ashok Kumar and Prabu, Kandasamy and Jha, Ratnesh Kumar and Thirumalaiswamy, Raja} } @article { ISI:000375520100009, title = {RuO2 center dot nH(2)O nanoparticles anchored on carbon nano-onions: an efficient electrode for solid state flexible electrochemical supercapacitor}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {4}, number = {5}, year = {2016}, month = {MAY}, pages = {2528-2534}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A flexible solid state electrochemical capacitor based on hydrous RuO2 nanoparticles, supported onto the nonporous and highly accessible ion adsorptive carbon nano onions (CNOs), is fabricated in a novel process of modifying a conducting carbon paper to a flexible conducting substrate, separated with a poly(vinyl alcohol)/H2SO4 gel electrolyte. The sol-gel technique tends to form homogeneously dispersed RuO2 nanoparticles with the average size of similar to 2.3 nm on the positive surface curvatures of multilayer fullerene (CNOs), which helps the high diffusivity of ions in both the aqueous and solid state gel electrolytes. The flexible substrate worked excellently as an electrical conductor as well as a stable mechanical support. This solid state flexible energy storage device showed a maximum energy density of 10.62 Whkg(-1) and a maximum power density of 4.456 kWkg(-1) for the hydrous RuO2/CNOs nanocomposite with 94.47\% cycling stability even after 4000 cycles.
}, keywords = {Carbon nano-onions, Electrochemical capacitor, Flexible conducting substrate, Flexible energy storage device, Hydrous ruthenium oxide nanoparticles}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.5b01627}, author = {Muniraj, Vedi Kuyil Azhagan and Kamaja, Chaitanya Krishna and Shelke, Manjusha V.} } @article {45633, title = {Ru-TiO2 semiconducting nanoparticles for the photo-catalytic degradation of bromothymol blue}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {27}, year = {2016}, month = {DEC}, pages = {13065-13074}, type = {Article}, abstract = {
Photo-catalytic degradation of bromothymol blue (BTB) in an aqueous medium by Ru-TiO2 using UVC (254 nm) irradiation was investigated for a pH range of 4.0-8.0. The liquid impregnation method was used to synthesize 0.2, 0.4 and 0.8 \% ruthenium doped TiO2 (Ru-TiO2) nanoparticles. The characterizations of resulting nanoparticles were done using X-ray diffraction, scanning electron microscopy, fourier transform infrared spectroscopy, transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy analysis. The crystallite sizes of doped and undoped nanoparticles were determined from X-ray diffraction spectra using Scherrer equation. The average crystallite size of undoped TiO2 was found to be 17.00 nm, whereas the crystallite sizes of 0.2, 0.4 and 0.8 \% Ru-TiO2 were 16.67, 15.70 and 14.40 nm respectively. The TEM images confirm the particle sizes to be 10-40 nm. Pseudo-first order rate constants (k(obs)) determined were found to decrease with increase in pH. The effect of BTB Concentration, catalyst dosage, a percentage of doping of photo catalyst, pH and UV light intensity of BTB on the degradation rate were also examined.
}, issn = {0957-4522}, doi = {10.1007/s10854-016-5449-6}, author = {Kulkarni, R. M. and Malladi, R. S. and Hanagadakar, M. S. and Doddamani, M. R. and Santhakumari, B. and Kulkarni, S. D.} } @inbook {45874, title = {Salvia miltiorrhiza: A medicinal herb from metabolites to pathway engineering}, booktitle = {Medicinal plants - recent advances in research and development}, year = {2016}, pages = {215-238}, publisher = {Springer }, organization = {Springer }, address = {Singapore}, abstract = {The dried, red-colored roots of Salvia miltiorrhiza (Lamiaceae) also called {\textquotedblleft}danshen{\textquotedblright} in colloquial language in China have been used in traditional Chinese medicine for thousands of years to treat hypertension and other cardiovascular ailments. The main constituents of danshen are hydrophilic phenolic acids and lipophilic tanshinones. The various uses of danshen in traditional as well as modern medicines have motivated an intensive research on compounds in S. miltiorrhiza. In recent years, more than 110 compounds have been isolated from S. miltiorrhiza and their structure was identified. Tanshinones and their derivatives have been demonstrated to possess properties of slowing down or curing various ailments related to cardiovascular, cerebrovascular, respiratory, liver, nervous system, cancer, Alzheimer{\textquoteright}s, and Parkinson{\textquoteright}s diseases. With the increasing demand of this herb, an unrestricted collection to supply raw materials and the extraction of its constituents have severely threatened the natural habitats of S miltiorrhiza. This has prompted the researchers to develop alternative strategies for metabolite production. Several in vitro methodologies have been established to generate callus, cell suspension culture, hairy roots, and plant regeneration. Different regulators and elicitors for plant growth have been employed to enhance levels of different constituents. The advent of sequencing technologies, whole genome, and expression data has helped to provide insights and identification of pathway genes involved in the biosynthesis. This book chapter gives a brief description of in vitro methodologies, use of different elicitors, gene functions, genetic modifications, expression profiling for a better understanding, and enhancement of the constituents in S. miltiorrhiza. }, doi = {10.1007/978-981-10-1085-9_8}, author = {Gupta, S. K. and Sharma, P. and Agrawal, D. C. and Tsay, H.-S.} } @article {43617, title = {Scalability of coarse-grained potentials generated from iterative boltzmann inversion forpolymers: case study on polycarbonates}, journal = {Macromolecular Theory and Simulations}, volume = {25}, year = {2016}, month = {MAY}, pages = {274-286}, abstract = {Using systematic coarse-grained (CG) techniques such as iterative Boltzmann inversion (IBI) is an efficient means to simulate high molecular weight polymer melts within reasonable computational time. One drawback of such an approach is however the need to carry out extensive atomistic simulations in order to extrapolate the necessary distributions to derive the inter and intrabead force field parameters. Here it is shown that it is possible to use atomistic simulations of relative short oligomers to develop the CG model for high molecular weight polymers. In particular for the specific case of polycarbonates, it is found that the structural properties (end-to-end distance, radius of gyration and their distributions) are similar irrespective of whether the CG potentials are derived from 5-mer or 10-mer melt systems. Dynamical properties of the CG systems are smoother and faster than the atomistic ones. Scaling factor, derived by overlapping the CG mean square displacement curves (obtained from different CG IBI potentials) over the atomistic ones, also scales the autocorrelation functions. A prediction of the dynamical scaling factor in the case of the unavailability of atomistic simulations is also discussed. The dynamical properties of the CG melts are modeled reasonably well by all the CG potentials derived from atomistic simulations of short oligomers.}, doi = {10.1002/mats.201500079}, author = {Choudhury, Chandan Kumar and Carbone, Paola and Roy, Sudip} } @article { ISI:000377612300015, title = {Scandium triflate catalyzed unexpected cleavage of C-C bonds in ynones}, journal = {Arkivoc}, number = {2}, year = {2016}, month = {NOV}, pages = {223-232}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
An unexpected C-C bond cleavage in ynones in the presence of catalytic amounts of Sc(OTf)(3) in methanol under microwave irradiation has been discussed. The effect of substituent on the regioselectivity of C-C bond cleavage has carefully been addressed by employing various ynones derivatives. The mechanism has been proposed for the observed regioselectivity.
}, keywords = {C-C bond cleavage, Esters, Ketones, scandium triflate, ynones}, issn = {1551-7004}, doi = {10.3998/ark.5550190.p009.244}, author = {Kavthe, Rahul D. and Bansode, Avinash H. and Patil, Nitin T.} } @article {42621, title = {Search for parity and time reversal violating effects in HgH: relativistic coupled-cluster study}, journal = {Journal of Chemical Physics}, volume = {144}, year = {2016}, month = {MAR}, pages = {Article No. 124307}, abstract = {
The high effective electric field (E-eff) experienced by the unpaired electron in an atom or a molecule is one of the key ingredients in the success of electron electric dipole moment (eEDM) experiment and its precise calculation requires a very accurate theory. We, therefore, employed the Z-vector method in the relativistic coupled-cluster framework and found that HgH has a very large E-eff value (123.2 GV/cm) which makes it a potential candidate for the next generation eEDM experiment. Our study also reveals that it has a large scalar-pseudoscalar (S-PS) P, T-violating interaction constant, W-s = 284.2 kHz. To judge the accuracy of the obtained results, we have calculated parallel and perpendicular magnetic hyperfine structure (HFS) constants and compared with the available experimental values. The results of our calculation are found to be in nice agreement with the experimental values. Therefore, by looking at the HFS results, we can say that both E-eff and W-s values are also very accurate. Further, We have derived the relationship between these quantities and the ratio which will help to get model independent value of eEDM and S-PS interaction constant. (C) 2016 AIP Publishing LLC.
}, doi = {10.1063/1.4944673}, author = {Sasmal, Sudip and Pathak, Himadri and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article { ISI:000369658100031, title = {Seeding of Au on CdSe/CdS nanoplates using Langmuir-Blodgett technique}, journal = {RSC Advances}, volume = {6}, number = {18}, year = {2016}, month = {JAN}, pages = {14658-14665}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Oleyl amine capped CdSe/CdS nanoplates were synthesized by hot injection technique which formed a stable monolayer over both a water subphase and an aqueous HAuCl4 subphase using a Langmuir-Blodgett trough. Au islands were generated at the edge as well as on one specific surface of the flat nanoplates by exploiting the reducing capacity of oleyl amine to form Au nanoseeds from AuCl4- ions. The initial Au nanoseeds changed to a shell surrounding these nanoplates on prolonged exposure to the subphase containing the Au precursor. Monolayer of the hybrid structures was deposited onto suitable substrates for characterization by a number of different techniques and to study the photocatalytic activity. The same substrate with the monolayers could be re-used in several cycles of photocatalysis.
}, issn = {2046-2069}, doi = {10.1039/c5ra26018c}, author = {Das, Subhasis and Satpati, Biswarup and Chauhan, Himani and Deka, Sasanka and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000368952100001, title = {Selective detection of Fe3+, Cr3+ and Cu2+ in water using highly luminescent Gd2O3:Eu3+ nanoparticles}, journal = {Journal of Luminescence}, volume = {171}, year = {2016}, month = {MAR}, pages = {1-8}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Rod shaped Eu3+ doped Gd2O3 nanoparticles were synthesised by a simple wet-chemical method followed by high temperature heating at 700 degrees C. The nanoparticles were characterised by X-ray diffraction (XRD), infra-red (IR), transmission electron microscopy (TEM), x-ray photonelectron spectroscopy (XPS), photoluminescence (PL) studies and lifetime measurement. The particles show strong host sensitised luminescence in water. Luminescence in water is selectively quenched by Fe3+, Cr3+ and Cu2+ ions. This luminescence quenching phenomenon has been utilised to detect metal ions in synthetic water and environmental water samples. Results obtained by luminescence quenching for environmental water samples are in good agreement with the results obtained from inductively coupled plasma atomic emission spectroscopy (ICP-AES) study. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Detection, Luminescence, Nanoparticles, Quenching, Sensitization}, issn = {0022-2313}, doi = {10.1016/j.jlumin.2015.10.020}, author = {Ghosh, Debasish and Luwang, Meitram Niraj} } @article { ISI:000362736300014, title = {Selective solid-phase extraction of metal for water decontamination}, journal = {Journal of Applied Polymer Science}, volume = {133}, number = {1}, year = {2016}, month = {JAN}, pages = {42849}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Metal-contaminated industrial effluent is a major concern for human health. Therefore, the removal of metal is of primary importance. In this study, metals were selectively extracted from water. Selective metal recovery was studied with a crown-ether-based polymer, wherein the selectivity was observed for strontium over lead. Parameters influencing the metal recovery, such as the contact time, adsorbent dosage, and metal-ion concentration, were evaluated. Interestingly, the adsorption rate of strontium was exponentially increased for the initial 4 h, and lead was adsorbed exponentially after 6 h. Notably, 98\% strontium adsorption and 64\% lead adsorption were obtained in 24 h. The Langmuir adsorption isotherm was in good agreement and demonstrated that the reactive sites of the adsorbent were homogeneous with monolayer metal adsorption with an adsorbent. The Freundlich adsorption isotherm was not obeyed by both metals. The pseudo-first-order and pseudo-second-order kinetics indicated that strontium was adsorbed by chemisorption and lead was adsorbed by physisorption. (c) 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 132, 42849.
}, keywords = {Adsorption, copolymers, crosslinking, kinetics, radical polymerization}, issn = {0021-8995}, doi = {10.1002/app.42849}, author = {Mane, Sachin and Ponrathnam, Surendra and Chavan, Nayaku} } @article {42430, title = {Selective synthesis of N-unsubstituted and N-arylindoles by the reaction of arynes with azirines}, journal = {Journal of Organic Chemistry}, volume = {81}, year = {2016}, month = {SEP}, pages = {8604-8611}, abstract = {
The transition-metal-free and temperature-dependent highly selective reaction of arynes with 2H-azirines allowing the synthesis of either N-unsubstituted or N-arylindoles has been developed. At 60 degrees C, arynes generated from 2-(trimethylsilyl)aryl triflates smoothly insert into 2H-azirines to form 2,3-diarylindoles with high selectivity. Interestingly, when the reaction was performed at -10 degrees C, the selectivity was switched to the formation of 1,2,3-triarylindoles in good yields.
}, doi = {10.1021/acs.joc.6b01472}, author = {Thangaraj, Manikandan and Bhojgude, Sachin Suresh and "Jain, Shailja" and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {42546, title = {Selectivity engineering of the diazotization reaction in a continuous flow reactor}, journal = {Reaction Chemistry \& Engineering}, volume = {1}, year = {2016}, month = {APR}, pages = {387-396}, abstract = {
In situ generated diazonium salts are useful intermediates for the synthesis of fine chemicals and active pharmaceutical ingredients. This paper presents a methodology for selectivity engineering of the diazotization reaction in a continuous reactor. The yield of diazotization was found to depend on mixing, dispersion, reaction kinetics, operating temperature and residence time. Initially, experimental data and an isothermal axial dispersion model were used for estimating mixing time. A correlation for estimating mixing time for different flow reactors is proposed. The model predictions were compared with the experimental data. The validated axial dispersion model and Central Composite Design (CCD) were used to optimize diazotization in a straight tube reactor (1.78 mL). The model was then used for scaling-up of aniline diazotization from a straight tube reactor to a proprietary AmAR3 reactor (scale-up ratio of \~{}20). The initial concentration, inlet temperature, average heat capacity of the reaction mixture, mixing, residence time (distribution) and available heat transfer area per unit volume of the reactor were found to be the key parameters for scaling-up of the diazotization reaction. The presented approach and results will be useful to practicing chemists and engineers for enhancing the selectivity of diazotization reactions in continuous reactors.
}, doi = {10.1039/C5RE00056D}, author = {Shukla, C. A. and Kulkarni, Amol A. and Ranade, Vivek V.} } @article {43609, title = {Selenium-containing fused bicyclic heterocycle diselenolodiselenole: field effect transistorstudy and structure property relationship}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {JUL}, pages = {18222-18230}, abstract = {The first application of the diselenolodiselenole (C4Se4) heterocycle as an active organic field effect transistor materials is demonstrated here. C4Se4 derivatives (2a-2d) were obtained by using a newly developed straightforward diselenocyclization protocol, which includes the reaction of diynes with selenium powder at elevated temperature. C4Se4 derivatives exhibit strong donor characteristics and planar structure (except 2d). The atomic force microscopic analysis and thin-film X-ray diffraction pattern of compounds 2a-2d indicated the formation of distinct crystalline films that contain large domains. A scanning electron microscopy study of compound 2b showed development of symmetrical grains with an average diameter of 150 nm. Interestingly, 2b exhibited superior hole mobility, approaching 0.027 cm(2) V-1 s(-1) with a transconductance of 9.2 mu S. This study correlate the effect of p-stacking, Se center dot center dot center dot Se intermolecular interaction, and planarity with the charge transport properties and performance in the field effect transistor devices. We have shown that the planarity in C4Se4 derivatives was achieved by varying the end groups attached to the C4Se4 core. In turn, optoelectronic properties can also be tuned for all these derivatives by end-group variation.}, doi = {10.1021/acsami.6b02154}, author = {Debnath, Sashi and Chithiravel, Sundaresan and Sharma, Sagar and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article {42665, title = {Self- assembly of isomannide-based monoesters of C18-fatty acids and their cellular uptake studies}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {JUL}, pages = { 72074-72079}, type = {Article}, abstract = {
The self-assembling behavior of oleic, elaidic and stearic acid-isomannide glycolipids is revealed. Amongst these, oleic and elaidic acid-based isomannide lipids self-assembled to form microspheres which were efficiently taken up by cancer cell lines enabling their usage for drug delivery applications.
}, issn = {2046-2069}, doi = {10.1039/C6RA05608C}, author = {Dhasaiyan, Prabhu and Parekh, Nimisha and Reddy, T. Vijai Kumar and Rani, G. Sandhya and Devi, B. L. A. Prabhavathi and Bhagavatula L. V. Prasad} } @article { ISI:000382122200014, title = {Self-assembled vesicles of urea-tethered foldamers as hydrophobic drug carriers}, journal = {Chemical Communications}, volume = {52}, number = {71}, year = {2016}, month = {AUG}, pages = {10771-10774}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Molecular self-assembly of nonamphiphilic alpha,beta-hybrid foldamers based on urea-tethered anthranilic acid-proline (Ant-Pro) foldamers is reported. These self-assembled hollow vesicular architectures can take up and release the anticancer hydrophobic drug curcumin.
}, issn = {1359-7345}, doi = {10.1039/c6cc05079d}, author = {Ingole, Tukaram S. and Kale, Sangram S. and Sukumaran, Santhosh Babu and Sanjayan, Gangadhar J.} } @inbook {43302, title = {Self-assembly of biohybrid polymers}, booktitle = {Macromolecular self-assembly}, year = {2016}, pages = {193-229}, publisher = {John Wiley \& Sons, Inc.}, organization = {John Wiley \& Sons, Inc.}, chapter = {7}, address = {New York :}, abstract = {
Self-assembly is considered to be the process through which building blocks spontaneously organize into well-defined frequently functional structures. The tailoring of properties of such structures has drawn attention in various fields, in particular, in enzymatic cascade reactions, drug delivery, amphiphilic copolymer nanocontainers, and nanoreactors. Polymer-DNA hybrid self-assemblies, in addition to responsiveness to ionic strength, are sensitive to hybridization, which renders the establishment of a theoretical framework challenging when both specific hydrogen bonding between complementary sequences and association are to be taken into consideration. Numerous various highly characterized self-assemblies are recognized to organize through nucleation dependent polymerization, including microtubule formation, sickle-cell fibril formation, flagellum assembly, among others. Interpolyelectrolyte complexes (IPECs) have attracted attention due to the large number of emerging and potential applications. Environmental factors such as the medium also play a role in the complex formation process, especially pH and ionic strength.
}, doi = {10.1002/9781118887813.ch7 }, author = {Kedracki, Dawid and Abraham, Jancy Nixon and Prado, Enora and Nardin, Corinne} } @article {43662, title = {Self-exfoliated metal-organic nanosheets through hydrolytic unfolding of metal-organic polyhedra}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2016}, month = {MAY}, pages = {7361-7366}, chapter = {7361-7366}, abstract = {Few-layers thick metal-organic nanosheets have been synthesized using water-assisted solid-state transformation through a combined top-down and bottom-up approach. The metal-organic polyhedra (MOPs) convert into metal-organic frameworks (MOFs) which subsequently selfexfoliate into few-layered metal-organic nanosheets. These MOP crystals experience a hydrophobicity gradient with the inner surface during contact with water because of the existence of hydrophobic spikes on their outer surface. When the amount of water available for interaction is higher, the resultant layers are not stacked to form bulk materials; instead few-layered nanosheets with high uniformity were obtained in high yield. The phenomenon has resulted high yield production of uniformly distributed layered metal-organic nanosheets from three different MOPs, showing its general adaptability.}, doi = {10.1002/chem.201700848}, author = {Garai, Bikash and Mallick, Arijit and Das, Anuja and Mukherjee, Rabibrata and Banerjee, Rahul} } @article {42554, title = {Sequence characterization and in silico structure prediction of fatty acid desaturases in linseed varieties with differential fatty acid composition}, journal = {Journal of the Science of Food and Agriculture}, volume = {96}, year = {2016}, month = {DEC}, pages = {4896-4906}, abstract = {
BACKGROUND: Linseed is the richest agricultural source of alpha-linolenic acid (ALA), an omega-3 fatty acid (FA) that offers several nutritional benefits. In the present study, sequence characterization of six desaturase genes (SAD1, SAD2, FAD2, FAD2-2, FAD3A and FAD3B) and 3D structure prediction of their proteins from ten Indian linseed varieties differing in ALA content were performed to determine whether the nucleotide and amino acid (AA) sequence variants have any functional implications in differential accumulation of ALA or other FAs in linseed. RESULTS: The SAD and FAD2 genes exhibited few sequence variations among the ten varieties, forming only one or two protein isoforms. In contrast, the FAD3A and FAD3B genes showed more sequence variations and three or four protein isoforms. Interestingly, the two high-ALA varieties NL260 and Padmini had the same FAD3B nucleotide and protein isoforms, which differed from all other varieties. Surprisingly, no AA changes altered the 3D structures of the desaturase proteins. CONCLUSION: Several nucleotide and AA sequence variations in desaturase genes were observed; however, they did not alter the 3D structure of any desaturase protein and were not correlated with FA levels among the ten linseed varieties, which had different ALA contents. This suggests a complex regulatory process of biosynthesis of FAs in linseed. (C) 2016 Society of Chemical Industry
}, doi = {10.1002/jsfa.7775}, author = {Rajwade, Ashwini V. and Joshi, Rakesh S. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article { ISI:000374811300057, title = {Shape and size engineered cellulosic nanomaterials as broad spectrum anti-microbial compounds}, journal = {International Journal of Biological Macromolecules}, volume = {87}, year = {2016}, month = {JUN}, pages = {460-465}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Oxidized celluloses have been used for decades as antimicrobial wound gauzes and surgical cotton. We now report the successful synthesis of a next generation narrow size range (25-35 nm) spherical shaped nanoparticles of 2,3,6-tricarboxycellulose based on cellulose I structural features, for applications as new antimicrobial materials. This study adds to our previous study of 6-carboxycellulose. A wide range of bacteria such as Escherichia coli, Staphloccocus aureus, Bacillus subtilis and Mycobacterium tuberculosis (non-pathogenic as well as pathogenic strains) were affected by these polymers in in vitro studies. Activity against Mycobacteria were noted at high concentrations (MIC99 values 250-1000 mu g/ml, as compared to anti-TB drug Isoniazid 0.3 mu g/ml). However, the broad spectrum activity of oxidized celluloses and their nanoparticles against a wide range of bacteria, including Mycobacteria, show that these materials are promising new biocompatible and biodegradable drug delivery vehicles wherein they can play the dual role of being a drug encapsulant as well as a broad spectrum anti-microbial and anti-TB drug. (C) 2016 Published by Elsevier B.V.
}, keywords = {Anti-microbial, cellulose, Spherical nanoparticles, Tricarboxycellulose}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2016.02.024}, author = {Sharma, Priyanka R. and Kamble, Sunil and Sarkar, Dhiman and Anand, Amitesh and Varma, Anjanikumar} } @article {43421, title = {Shear stress increases cytotoxicity and reduces transfection efficiency of liposomal gene delivery to CHO-S cells}, journal = {Cytotechnology}, volume = {68}, year = {2016}, month = {DEC}, pages = {2529-2538}, abstract = {Animal cells in suspension experience shear stress in different situations such as in vivo due to hemodynamics, or in vitro due to agitation in large-scale bioreactors. Shear stress is known to affect cell physiology, including binding and uptake of extracellular cargo. In adherent cells the effects of exposure to shear stress on particle binding kinetics and uptake have been studied. There are however no reports on the effect of shear stress on extracellular cargo delivery to suspension cells. In this study, we have evaluated the effect of shear stress on transfection of CHO-S cells using Lipofectamine 2000 in a simple flow apparatus. Our results show decreased cell growth and transfection efficiency upon lipoplex assisted transfection of CHO-S while being subjected to shear stress. This effect is not seen to the same extent when cells are exposed to shear stress in absence of the lipoplex complex and subsequently transfected, or if the lipoplex is subjected to shear stress and subsequently used to transfect the cells. It is also not seen to the same extent when cells are exposed to shear stress in presence of liposome alone, suggesting that the observed effect is dependent on interaction of the lipoplex with cells in the presence of shear stress. These results suggest that studies involving liposomal DNA delivery in presence of shear stress such as large scale transient protein expression should account for the effect of shear during lipoplex assisted DNA delivery.}, doi = {10.1007/s10616-016-9974-1}, author = {Rawat, Jyoti and Gadgil, Mugdha} } @article { ISI:000372612600009, title = {Signatures of protein thermal denaturation and local hydrophobicity in domain specific hydration behavior: a comparative molecular dynamics study}, journal = {Molecular Biosystems}, volume = {12}, number = {4}, year = {2016}, month = {FEB}, pages = {1139-1150}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We investigate, using atomistic molecular dynamics simulations, the association of surface hydration accompanying local unfolding in the mesophilic protein Yfh1 under a series of thermal conditions spanning its cold and heat denaturation temperatures. The results are benchmarked against the thermally stable protein, Ubq, and behavior at the maximum stability temperature. Local unfolding in Yfh1, predominantly in the beta sheet regions, is in qualitative agreement with recent solution NMR studies; the corresponding Ubq unfolding is not observed. Interestingly, all domains, except for the beta sheet domains of Yfh1, show increased effective surface hydrophobicity with increase in temperature, as reflected by the density fluctuations of the hydration layer. Velocity autocorrelation functions (VACF) of oxygen atoms of water within the hydration layers and the corresponding vibrational density of states (VDOS) are used to characterize alteration in dynamical behavior accompanying the temperature dependent local unfolding. Enhanced caging effects accompanying transverse oscillations of the water molecules are found to occur with the increase in temperature preferentially for the beta sheet domains of Yfh1. Helical domains of both proteins exhibit similar trends in VDOS with changes in temperature. This work demonstrates the existence of key signatures of the local onset of protein thermal denaturation in solvent dynamical behavior.
}, issn = {1742-206X}, doi = {10.1039/c6mb00017g}, author = {Chatterjee, Prathit and Sengupta, Neelanjana} } @inbook {43049, title = {Silanetriols and aluminosilicates}, booktitle = {Efficient methods for preparing silicon compounds}, year = {2016}, pages = {221-231}, publisher = {Academic Press, Elsevier}, organization = {Academic Press, Elsevier}, chapter = {17}, address = {Netherland}, author = {Sen, Sakya S. and Roesky, Herbert W.} } @article {45642, title = {Silk fibroin-sophorolipid gelation: deciphering the underlying mechanism}, journal = {Biomacromolecules}, volume = {17}, year = {2016}, month = {OCT}, pages = {3318-3327}, type = {Article}, abstract = {
Silk fibroin (SF) protein, produced by silkworm Bombyx mori, is a promising biomaterial, while sophorolipid (SL) is an amphiphilic functional biosurfactant synthesized by nonpathogenic yeast Candida bombicola. SL is a mixture of two forms, acidic (ASL) and lactonic (LSL), which when added to SF results in accelerated gelation of silk fibroin. LSL is known to have multiple biological functionalities and hence hydrogels of these green molecules have promising applications in the biomedical sector. In this work, SANS, NMR, and rheology are employed to examine the assembling properties of individual and mixed SLs and their interactions with SF to understand the mechanism that leads to rapid gelation. SANS and NMR studies show that ASL assembles to form charged micelles, while LSL forms micellar assemblies and aggregates of a mass fractal nature. ASL and LSL together form larger mixed micelles, all of which interact differently with SF. It is shown that preferential binding of LSL to SF causes rapid unfolding of the SF chain leading to the formation of intermolecular beta sheets, which trigger fast gelation. Based on the observations, a mechanism for gelation of SF in the presence of different sophorolipids is proposed.
}, issn = {1525-7797}, doi = {10.1021/acs.biomac.6b01069}, author = {Dubey, Parul and Kumar, Sugam and Aswal, Vinod K. and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R. and Prabhune, Asmita and Nisal, Anuya} } @article {42669, title = {Silver nanoparticles: a new perspective in endodontic therapy}, journal = {OAB Journal}, volume = {7}, year = {2016}, month = {JUN}, pages = { 77-81}, abstract = {
Silver has been in use in medicine since time immemorial because of its antimicrobial properties. But due to the emergence of antibiotics the use of silver has been declined. Several pathogenic bacteria have developed resistance against various antibiotics. This has led to reemergence of silver. Recently nano science and nanotechnology are gaining tremendous popularity. The small size of nanoparticles provides larger surface area and hence increases the effectiveness of nanoparticles. Silver nanoparticles are used in medical and dental applications ranging from silver based wound dressings, silver coated medicinal devices like catheters, endotrachial tubes, bone cements, in gels, lotions, cosmetics, in dental restorative materials, endodontic cements, dental implants caries inhibitory agents, and in prosthesis. The purpose of this article is to discuss briefly the potential role of silver nano particles in endodontic therapy.
}, author = {Jadhav, Rajashree and Bhide, Shrinivas and Bhagavatula L. V. Prasad and Kunchiraman, Bipinraj and Shimpi, Jayesh and Nandhini, Usha} } @article { ISI:000372425600066, title = {Simple, phosphine free, reusable Pd(II)-2,2 {\textquoteleft}-dihydroxybenzophenone-SBA-15 catalyst for arylation and hydrogenation reactions of alkenes}, journal = {New Journal of Chemistry}, volume = {40}, number = {3}, year = {2016}, month = {JAN}, pages = {2423-2432}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An efficient, simple, phosphine and co-catalyst free C-C coupling reaction heterogeneous catalyst via a post grafting method is developed and reported. A covalently anchored phosphine free Pd(II) based 2,2{\textquoteright}-dihydroxybenzophenone (DHBP) complex over organofunctionalized SBA-15 has been synthesized by the reaction between aminofunctionalized SBA-15 (NH(2)SBA-15) and a 2,2{\textquoteright}-dihydroxybenzophenone (DHBP) ligand, and further complexation with Pd(II)Cl-2 to get Pd(II)-DHBP@ SBA-15. The synthesized catalysts were characterized by elemental analysis, XRD, N-2 sorption analyses, TG, DTA, FT-IR, solid state C-13 and Si-29 NMR spectra, XPS, UV-Visible, SEM, EDAX and TEM. The synthesized catalysts were screened in arylation (Heck reactions) and hydrogenation reactions of alkenes, and the results show that Pd(II)-DHBP@ SBA-15 exhibits high conversion and selectivity towards arylation and hydrogenation reactions of alkenes with high stability. The anchored solid catalysts can be recycled effectively and reused several times without major loss in activity.
}, issn = {1144-0546}, doi = {10.1039/c5nj02686e}, author = {Lazar, Anish and Vinod, Chathakudath P. and Singh, Anand Pal} } @article { ISI:000381122100030, title = {Single pot transfer hydrogenation and aldolization of furfural over metal oxide catalysts}, journal = {Catalysis Letters}, volume = {146}, number = {8}, year = {2016}, month = {AUG}, pages = {1611-1619}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {
One pot catalytic transfer hydrogenation (CTH) of furfural to furfuryl alcohol (FAL) by using hydrogen producing alcohols and simultaneous aldolization of carbonyl compounds produced during CTH, with furfural was achieved over non-noble metal oxides with bifunctional sites. Basic sites of MgO responsible for abstraction of proton showed complete conversion of furfural to give FAL and C8 monomer in a ratio of 3:1, respectively, the later altered to 1:1 by incorporating Al into MgO. Catalyst stability was established by its four cycles study. [GRAPHICS]
}, keywords = {Aldol, furfural, Furfuryl alcohol, Metal oxides, transfer hydrogenation}, issn = {1011-372X}, doi = {10.1007/s10562-016-1786-6}, author = {Biradar, Narayan S. and Hengne, Amol M. and Sakate, S. S. and Swami, R. K. and Rode, Chandrashekhar V.} } @conference {45824, title = {Single SnO2 Nanowire: field emission investigations}, booktitle = {2016 29th International Vacuum Nanoelectronics Conference (IVNC)}, year = {2016}, month = {JUL}, publisher = {IEEE, 345 E 47th St, New York, NY 10017 USA}, organization = {IEEE, 345 E 47th St, New York, NY 10017 USA}, address = {345 E 47th St, New York, NY 10017 USA}, abstract = {
The present work deals with the field emission study on multiple SnO2 nanowires synthesized by simple thermal evaporation method. For the realistic analysis of the Fowler Nordheim plot of the semiconducting SnO2, field emission behavior of a single nanowire is studied. A relevant model explaining the field emission mechanism from the single SnO2 nanowire is also proposed by the authors.
}, keywords = {SnO2 nanowire}, isbn = {978-1-5090-2419-3}, author = {Joshi, D. and Joag, Dilip S. and Mulla, Imtiaz S. and Late, Dattatray J.} } @article { ISI:000380038000012, title = {Site-selective synthesis and characterization of BODIPY-acetylene copolymers and their transistor properties}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {54}, number = {13}, year = {2016}, month = {JUL}, pages = {1978-1986}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
To study the effect of site-selective copolymerization of borondipyrromethene (BODIPY) with acetylene on the structural and optoelectronic properties, three copolymers P1-P3 were synthesized by the Sonogashira cross-coupling of BODIPY units with diacetylene and bromine capping through all the possible linkages: alpha-alpha (P1), alpha-beta (P2), and beta-beta (P3). The optoelectronic properties of the polymers were investigated systematically to understand the effect of site-selective polymerization. The HOMO levels of the polymers were significantly tuned from P1 to P3 with negligible change in the LUMO levels. Broadening of absorption spectra from P3 to P1 was observed because of increase in the extent of conjugation. Additionally, the charge transport properties of these polymers in organic thin-film transistors (OTFTs) revealed that P1 and P3 exhibited only p-type mobility, whereas P2 exhibited electron mobility. Notably, the further investigations of the surface morphology of polymer films by atomic force microscopy (AFM) unveiled that comb like nanostructural arrangements in P3 was beneficial for the charge-carrier mobility over the circular arrangements in P1 and P2. (C) 2016 Wiley Periodicals, Inc.
}, keywords = {acetylene, BODIPY, DFT, low-band gap}, issn = {0887-624X}, doi = {10.1002/pola.28064}, author = {Debnath, Sashi and Singh, Saumya and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article { ISI:000372253200047, title = {Situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application}, journal = {RSC Advances}, volume = {6}, number = {28}, year = {2016}, month = {FEB}, pages = {23508-23517}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In situ synthesis of the orthorhombic Bi2S3 nanowires decorated with hexagonal CdS nanoparticles (nano-heterostructure) has been demonstrated by a facile solvothermal method. The tiny 5-7 nm CdS spherical nanoparticles are decorated on the surfaces of 30-40 nm Bi2S3 nanowires, successfully. Structural, morphological and optical studies clearly show the existence of CdS on the nanowires. A possible sequential deposition growth mechanism is proposed on the basis of experimental results to reveal the formation of the nano heterostructure. The heterostructures have been used as a photocatalyst for hydrogen production as well as degradation of methylene blue under solar light. The maximum hydrogen evolution i.e. 4560 and 2340 mu mol h(-1) 0.5 g was obtained from H2S splitting and glycerol degradation for Bi2S3 NWs decorated with CdS nanoparticles (nano-heterostructure) which is higher than that of the Bi2S3 NWs (3000 and 1170 mu mol h(-1) 0.5 g, respectively). The enhanced photocatalytical hydrogen evolution efficiency of the heterostructures is mainly attributed to its nanostructure. In the nano heterostructure, the CdS nanoparticles control the charge carrier transition, recombination, and separation, while the Bi2S3 nanowire serves as a support for the CdS nanoparticles. The photogenerated electron{\textquoteright}s migration is faster than the holes from the inside of a CdS nanoparticle to its surface or to the phase interface, resulting in a relatively higher hole density inside the CdS nanoparticle leaving electron density at surface of the Bi2S3 NWs. This influences the photocatalytic activity under solar light. Such nano-heterostructures may have potential in other photocatalytic reactions.
}, issn = {2046-2069}, doi = {10.1039/c6ra01488g}, author = {Panmand, Rajendra P. and Sethi, Yogesh A. and Deokar, Rajashree S. and Late, Dattatray J. and Gholap, Haribhau M. and Baeg, Jin-Ook and Kale, Bharat B.} } @article { ISI:000369211700025, title = {Small molecule activation by constrained phosphorus compounds: insights from theory}, journal = {Inorganic Chemistry}, volume = {55}, number = {2}, year = {2016}, month = {JAN}, pages = {558-565}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
An exciting new development in main group chemistry has been the use of a constrained, flat, phosphorus-based complex to mediate in reactions such as the dehydrogenation of ammonia borane (AB), and the activation of the NH bond in primary amines. Its importance is based on the fact that it shows that main group compounds, when properly designed, can be as effective as transition metal complexes for doing significant chemical transformations. What the current computational study, employing density functional theory (DFT), reveals is that a common, general mechanism exists that accounts for the behavior of the flat phosphorus compound in the different reactions that have been experimentally reported to date. This mechanism, which involves the mediation by a base as a proton transfer agent, is simpler and energetically more favorable than the previous mechanisms that have been proposed for the same reactions in the literature. It is likely that the knowledge gained from the current work about the chemical behavior of this phosphorus compound can be utilized to design new constrained phosphorus-based compounds.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b01074}, author = {Pal, Amrita and Vanka, Kumar} } @article {43629, title = {SnS2 nanoflakes for efficient humidity and alcohol sensing at room temperature}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {OCT}, pages = {105421-105427}, abstract = {We report a one step facile hydrothermal synthesis of layered SnS2 nanoflakes. The as-synthesized nanosheets are characterized using X-ray diffraction, Raman spectroscopy and Transmission Electron Microscopy (TEM). The humidity sensing behavior of SnS2 nanoflake sensor device were investigated in the range of 11-97\% of relative humidity (RH) at room temperature. The response time of similar to 85 s and recovery time of similar to 6 s were observed for the SnS2 nanoflake based humidity sensor. A maximum sensitivity of 11.300\% is recorded. We also investigate the SnS2 nanoflake based alcohol sensing properties towards methanol, ethanol and iso-propyl alcohol. An exclusive selectivity towards methanol with a response of 1580 is shown as compared to other analytes. The response time of similar to 67 s and recovery time of just 5 s were observed for the SnS2 nanoflake based methanol sensor.}, doi = {10.1039/c6ra21252b}, author = {Bharatula, Lakshmi Deepika and Erande, Manisha B. and Mulla, Imtiaz S. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000365050700016, title = {Sol-gel synthesised WO3 nanoparticles supported on mesoporous silica for liquid phase nitration of aromatics}, journal = {Applied Catalysis B-Environmental}, volume = {182}, year = {2016}, month = {MAR}, pages = {142-152}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
A series of WO3/SiO2 catalysts have been prepared by sol-gel method using ammonium metatungstate and ethyl silicate-40 (ES-40) as WO3 and SiO2 precursors respectively. The sol-gel method has led to the formation of WO3 nano-particles of 2-5 nm well dispersed on mesoporous silica along with some WO3{\textquoteright} agglomerates. Formation of monoclinic WO3 was seen on the catalysts above 5 wt\% WO3 loading by XRD analysis. Silica has shown very high surface area of 606 m(2)/g which decreased gradually upto 368 m(2)/g with 20 wt\% WO3 loading. 20 wt\% WO3/SiO2 catalyst has shown maximum acidity (0.56 mmol NH3/g) with presence of both Lewis and Bronsted acidity. UV-vis DRS analysis showed formation of polytungstate species along with WO3 on silica surface. The prepared catalysts were used for liquid phase nitration of aromatics using 70\% nitric acid as nitrating agent without using any sulfuric acid. Very high conversion (99\%) was obtained for p-cresol nitration with very high selectivity (99\%) for 2-nitro p-cresol. The water formed during the reaction was removed azeotropically using ethylene dichloride as solvent. In case of o-xylene 74\% conversion was obtained with 54\% selectivity for 4-nitro o-xylene. The effect of different WO3 precursors on nitration efficiency was studied using sodium tungstate and tungstic acid as precursors. However,ammonium metatungstate showed the highest acidity. Sodium tungstate showed formation of dimer of sodium tungstate which did not show any acidity and hence no activity for nitration. The mechanism for nitration using WO3/SiO2 has been proposed based on polarisation of water on tungsten centre generating Bronsted acidity which can further generate nitronium ion giving subsequently nitration of the aromatic ring. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Aromatic nitration, heterogeneous catalysis, Regioselective, Sol-gel synthesis, Water polarization}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2015.09.020}, author = {Kulal, A. B. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @article { ISI:000370664300002, title = {Solid acid catalyzed synthesis of furans from carbohydrates}, journal = {Catalysis Reviews-Science and Engineering}, volume = {58}, number = {1}, year = {2016}, month = {JAN}, pages = {36-112}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
The alternative feedstock, biomass (particularly lignocelluloses), having the profuse availability, is promising for the synthesis of several value-added chemicals which are currently obtained from fossil feedstock. In this article, the synthesis of two extremely significant furan chemicals viz. furfural and 5-hydroxymethylfurfural (HMF) are discussed. In the synthesis of furans from biomass, numerous challenges, i.e., use of edible sugars as substrates, selectivity to furans, their isolation in pure form, reuse of catalyst, environmental issues, etc., are perceived and in the recent past researchers tried to resolve those by developing advance methodologies. This article comprehensively summarizes the latest progress made in the above-mentioned areas and also provides commentary on the analyses of results, rationale for observed activity and mechanisms, etc. It also discusses future aspects of this work.
}, keywords = {Biomass conversion, carbohydrates, cellulose, furans, furfural, hemicelluloses, HMF, solid acid catalyst}, issn = {0161-4940}, doi = {10.1080/01614940.2015.1099894}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article { ISI:000369515700086, title = {Solution chemistry-based nano-structuring of copper dendrites for efficient use in catalysis and superhydrophobic surfaces}, journal = {RSC Advances}, volume = {6}, number = {10}, year = {2016}, month = {JAN}, pages = {8416-8430}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Despite their performance and economic advantages over Ag and Au, there have been no focused research efforts on the nano-structuring of Cu dendrites with respect to fine-tuning their structure/morphology towards the efficiency enhancement of suitable applications. Reported here is a simple, versatile, environmentally-friendly and galvanic replacement reaction-based solution chemistry methodology to synthesize highly nano-structured copper dendrites targeted towards the efficiency enhancement of desired applications. Herein, copper is deposited galvanically on an Al foil in the presence of NaCl/HCl, wherein the chloride anions augment an uninterrupted replacement reaction. The growth process of Cu dendrites has been probed in detail. The presence of acid, the type of Cu2+ precursor salt, the Cu2+ ion concentration, the surfactant concentration and the reaction temperature are all demonstrated to provide useful means of modulating the surface structure/morphology of the dendrites. Notably, dendrites formed in the presence of acid are found to be highly nano-structured. Moreover, it is also found that the morphology/structure of the obtained Cu deposit depends considerably upon the choice of the Cu2+ precursor salt, a parameter that has been completely overlooked in the past. The acid-induced nano-structuring of the dendrites is exploited for enhancing their efficiency in the catalytic reduction of para-nitrophenol and for fabricating self-cleaning superhydrophobic surfaces. These nano-structured dendrites are demonstrated to have the highest ever normalized rate constant for the catalytic reduction reaction. Superhydrophobic surfaces fabricated using these dendrites demonstrate excellent self-cleaning abilities, showing a high contact angle (159 degrees) with low contact angle hysteresis (2 degrees). This facile synthetic strategy for the fabrication of highly nano-structured Cu dendrites is expected to open up avenues for the production of Cu-based low-cost functional nano/micro-materials.
}, issn = {2046-2069}, doi = {10.1039/c5ra22683j}, author = {Bakthavatsalam, Rangarajan and Ghosh, Subrata and Biswas, Ratul Kumar and Saxena, Aayushi and Raja, Alagar and Thotiyl, Musthafa Ottakam and Wadhai, Sandip and Banpurkar, Arun G. and Kundu, Janardan} } @article {42897, title = {Solution-phase synthesis of the macrocyclic core of teixobactin}, journal = {European Journal of Organic Chemistry}, volume = {25}, year = {2016}, month = {SEP}, pages = {4289-4293}, abstract = {
Towards the total chemical synthesis of the exceptionally potent antibiotic teixobactin, we synthesized the macrocyclic core of a natural product by using a solution-phase approach. The gramscale synthesis of L-allo-enduracididine and Shiina macrolactonization are highlights of the present disclosure.
}, author = {Dhara, Santu and Gunjal, Vidya B. and Handore, Kishor L. and Reddy, D. Srinivasa} } @article {43632, title = {Spatially branched CdS-Bi2S3 heteroarchitecture: single step hydrothermal synthesis approach with enhanced field emission performance and highly responsive broadband photodetection}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {SEP}, pages = {95092-95100}, abstract = {This report explores the controlled hierarchical synthesis of CdS nanostructure branches on Bi2S3 nanorod cores via a facile single step hydrothermal route. Morphological and structural studies reveal the formation of CdS-Bi2S3 heteroarchitecture with excellent stoichiometry between the constituent elements. The growth of CdS over Bi2S3 strongly depends on optimization of the reaction conditions, especially low PVP concentration. Furthermore, the as-synthesized CdS-Bi2S3 heteroarchitecture demonstrates multifunctionality in field emission and photoresponse. Interestingly, the CdS-Bi2S3 heteroarchitecture shows enhanced field emission properties such as low turn-on field (similar to 1.8 V mu m(-1) for 10 mu A cm(2)), high emission current density and better current stability in comparison to Bi2S3 and other nanostructures. The as-synthesized CdS-Bi2S3 heteroarchitecture exhibits considerable response and recovery times, similar to 207 ms and 315 ms, respectively in comparison to bare Bi2S3 nanostructures (similar to 655 ms and 678 ms). The present results demonstrate CdS-Bi2S3 heteroarchitecture as a potential candidate for future optoelectronic device applications.}, doi = {10.1039/c6ra21085f}, author = {Bankar, Prashant K. and Pawar, Mahendra S. and Pawbake, Amit S. and Warule, Sambhaji S. and Late, Dattatray J. and More, Mahendra A.} } @article { ISI:000375346500029, title = {Specific receptor for hydrazine: mapping the in situ release of hydrazine in live cells and in an in vitro enzymatic assay}, journal = {Chemical Communications}, volume = {52}, number = {36}, year = {2016}, month = {MAR}, pages = {6166-6169}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
We report a new chemodosimetric reagent capable of detecting hydrazine in the presence of several other competing amine derivatives and ionic analytes of biological relevance. This reagent has been utilized for real time monitoring of in situ N2H4 release during the metabolism of a crucial tuberculosis drug, isoniazid, in live HepG2 cells. The fluorescence response of the reagent based on its specific reaction with N2H4 is used for developing an in vitro assay for aminoacylase-1.
}, issn = {1359-7345}, doi = {10.1039/c6cc01787h}, author = {Ali, Firoj and Anila, H. A. and Taye, Nandaraj and Mogare, Devraj G. and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000381182700004, title = {Spectacular rate enhancement of the diels-alder reaction at the ionic liquid/n-hexane interface}, journal = {Chemphyschem}, volume = {17}, number = {13}, year = {2016}, month = {JUL}, pages = {1969-1972}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
The use of the ionic liquid/n-hexane interface as a new class of reaction medium for the Diels-Alder reaction gives large rate enhancements of the order of 10(6) to 10(8) times and high stereoselectivity, as compared to homogeneous media. The rate enhancement is attributed to the H-bonding abilities and polarities of the ionic liquids, whereas the hydrophobicity of ionic liquids was considered to be the factor in controlling stereoselectivity.
}, keywords = {Diels-Alder reaction, Interfaces, ionic liquids, kinetics, stereoselectivity}, issn = {1439-4235}, doi = {10.1002/cphc.201600006}, author = {Beniwal, Vijay and Manna, Arpan and Kumar, Anil} } @article { ISI:000381593700007, title = {Spectroscopy and catalytic activity study of gold supported on barium titanate nanotubes for styrene epoxidation}, journal = {Applied Catalysis A-General}, volume = {523}, year = {2016}, month = {AUG}, pages = {61-72}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Gold (0.5-5 wt.\%) supported on barium titanate nanotubes (Au/BaTNT) were prepared, characterized and for the first time, investigated as catalysts for selective oxidation of styrene with oxygen (O-2 or H-2 + O-2) and peroxides (H2O2 or TBHP). Conversion of styrene enhanced when H-2 was co-added to O-2 in the reactions. Au/BaTNT activated O-2 and H-2 and produced H2O2 in situ for use in oxidations. Peroxides were found better oxidants than O-2. At optimized conditions, styrene oxide selectivity of 80.1 wt.\% at styrene conversion of 60.5 wt.\% was achieved over Au(1 wt.\%)/BaTNT using TBHP. Au particles (5.0-7.4 nm) were dispersed and decorated on the walls of BaTNT. They exhibited superior performance to the known Au catalysts in styrene oxidation. Reactive oxygen species formed during oxidation reactions were followed with in situ spectral characterizations (diffuse reflectance UV-vis and FT -Raman). Au/BaTNT was reusable in four recycles with little loss in catalytic activity. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Au Nanoparticles, reactive oxygen species, spectroscopy, Styrene Oxidation, Titanate nanotubes}, issn = {0926-860X}, doi = {10.1016/j.apcata.2016.05.014}, author = {Nepak, Devadutta and Srinivas, Darbha} } @article {43641, title = {State-of-the-art catechol porphyrin COF catalyst for chemical fixation of carbon dioxide via cyclic carbonates and oxazolidinones}, journal = {Catalysis Science \& Technology}, volume = {6}, year = {2016}, month = {MAY}, pages = {6152-6158}, abstract = {A highly porous, crystalline catechol porphyrin COF was synthesized and applied as an organocatalyst for the chemical fixation of carbon dioxide to synthesize value-added chemicals such as cyclic carbonates and oxazolidinones under solvent-free and transition-metal-free conditions. The high surface area and the functionalities of the COF catalyst act synergistically to activate the starting material. The 2,3-DhaTph shows excellent activity towards cyclic carbonates at the atmospheric pressure of carbon dioxide. Additionally, this catalytic system is recyclable in nature and provides a higher turnover number than previously reported organocatalysts.}, doi = {10.1039/c6cy00362a}, author = {Saptal, Vitthal and Shinde, Digambar Balaji and Banerjee, Rahul and Bhanage, Bhalchandra M.} } @article {43001, title = {Stereoselective quenching of cedryl carbocation in epicedrol biosynthesis}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {MAR}, pages = {1161-1164}, abstract = {
Epicedrol synthase catalyzes the cyclization of achiral diphosphate substrate, (E,E)-farnesyldiphosphate (FPP) into epicedrol. GC-MS analysis of assay extracts obtained by incubating FPP with epicedrol synthase in 21.6 at \% H2(18)O buffer showed the molecular ion of 224 for epicedrol. The labeled oxygen study presented here unambiguously demonstrates that the hydroxyl group of the epicedrol synthase enzymatic product, epicedrol, is derived from a water molecule, not from the phosphate moiety of the FPP. (C) 2016 Elsevier Ltd. All rights reserved.
}, doi = {10.1016/j.tetlet.2016.01.109}, author = {Shinde, Sandip S. and Navale, Govinda R. and Said, Madhukar S. and Thulasiram, Hirekodathakallu V.} } @article {43626, title = {Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, year = {2016}, month = {OCT}, pages = {10394-10406}, abstract = {Starting from (-)-acetoxyglutarimide, the enantioselective multistep synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine has been demonstrated via a common hydroxyl-lactam intermediate with very good overall yields. The acetoxy function from (-)-acetoxyglutarimide was initially used as a handle to induce enantioselectivity and then as a latent source of the ketone carbonyl group. Most importantly, substrate dependent reversal of the diastereoselectivity in ester aldol reactions of hexahydroindolo[2,3-a] quinolizinones has been reported.}, doi = {10.1039/c6ob01438k}, author = {Mondal, Pravat and N. P. Argade} } @article {45638, title = {Strategic Preparation of Efficient and Durable NiCo Alloy Supported N-Doped Porous Graphene as an Oxygen Evolution Electrocatalyst: A Theoretical and Experimental Investigation}, journal = {Advanced Materials Interfaces}, volume = {3}, year = {2016}, month = {OCT }, pages = {1600532}, type = {Article}, abstract = {
Development of an efficient and durable water splitting electrocatalyst holds a great commitment for the future energy devices. The real application of oxygen evolution reaction (OER) catalysts mainly suffers from sluggish kinetics and high overpotential except for the Ir and Ru-based systems. However, the high cost and vulnerability of the Ir and Ru metals are the main hostiles to use them for marketization. Herein, a high-performance OER electrocatalyst consisting of NiCo alloy nanoparticles supported on high surface area N-doped porous graphene (NiCo/pNGr(75: 25)) is reported. The importance of the doped-N for achieving the uniform dispersion-cum-effective interaction of the size controlled NiCo alloy nanoparticles has been explicitly investigated by transmission electron microscopy, X-ray diffraction, X-ray photo electron spectroscopy, Raman, density functional theory (DFT) calculations, etc. The electrochemical analysis of NiCo/pNGr(75: 25) shows an overpotential of approximate to 260 mV at 10 mA cm(-2) with a smaller Tafel slope of approximate to 87 mV dec(-1) and long catalytic durability. DFT calculations are done to check the interaction between the NiCo alloy nanoparticles and the defective sites of pNGr and also with the doped-N, which could be attained for maintaining long catalytic durability. Furthermore, NiCo/pNGr(75: 25) is used as an OER catalyst to fabricate an electrolyzer, which works at very low potential of 1.5 V in 1 M KOH.
}, issn = {2196-7350}, doi = {10.1002/admi.201600532}, author = {Singh, Santosh K. and Kumar, Deepak and Dhavale, Vishal M. and Pal, Sourav and Kurungot, Sreekumar} } @article { ISI:000370135100007, title = {Streptomyces lonarensis sp nov., isolated from lonar lake, a meteorite salt water lake in India}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {109}, number = {2}, year = {2016}, month = {FEB}, pages = {225-235}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
A novel alkaliphilic actinomycete, strain NCL716(T), was isolated from a soil sample collected from the vicinity of Lonar Lake, an alkaline salt water meteorite lake in Buldhana district of Maharashtra State in India. The strain was characterised using a polyphasic taxonomic approach which confirmed that it belongs to the genus Streptomyces. Growth was observed over a pH range of 7-11 at 28 A degrees C. The cell wall was found to contain ll-diaminopimelic acid and traces of meso-diaminopimelic acid. The major fatty acid components were identified as iso-C-16:0 (46.8 \%), C-17:1 (12.4 \%), anteiso-C-15:0 (5.1 \%) and anteiso-C-17:1 (4.8 \%). The major polar lipids were identified as diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol and phosphatidylinositol. The major menaquinones were determined to be MK-9 (H-6) (70.3 \%), MK-9 (H-4) (15.5 \%) and MK-9 (H-8) (7.2 \%). The G+C content of the DNA of the type strain was determined to be 71.4 mol \%. The 16S rRNA gene sequence has been deposited in GenBank with accession number FJ919811. Although the 16S rRNA gene sequence analysis revealed that strain NCL716(T) shares \> 99 \% similarity with that of Streptomyces bohaiensis strain 11A07(T), DNA-DNA hybridization revealed only 33.2 +/- A 3.0 \% relatedness between them. Moreover, these two strains can be readily distinguished by some distinct phenotypic characteristics. Hence, on the basis of phenotypic and genetic analyses, it is proposed that strain NCL716(T) represents a novel species of the genus Streptomyces, for which the name Streptomyces lonarensis sp. nov., is proposed. The type strain is NCL 716(T) (=DSM 42084(T) = MTCC 11708(T) = KCTC 39684(T)).
}, keywords = {Alkaliphile, DDH analysis, Polyphasic taxonomy, Streptomyces lonarensis sp nov.}, issn = {0003-6072}, doi = {10.1007/s10482-015-0626-9}, author = {Sharma, Trupti K. and Mawlankar, Rahul R. and Sonalkar, Vidya V. and Shinde, Vidhya K. and Zhan, Jing and Li, Wen-Jun and Rele, Meenakshi V. and Dastager, Syed Gulam and Kumar, Lalitha Sunil} } @article { ISI:000368973000001, title = {Structural analysis of a penicillin V acylase from pectobacterium atrosepticum confirms the importance of two Trp residues for activity and specificity}, journal = {Journal of Structural Biology}, volume = {193}, number = {2}, year = {2016}, month = {FEB}, pages = {85-94}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Penicillin V acylases (PVA) catalyze the deacylation of the beta-lactam antibiotic phenoxymethylpenicillin (Pen V). They are members of the Ntn hydrolase family and possess an N-terminal cysteine as the main catalytic nucleophile residue. They form the evolutionarily related cholylglycine hydrolase (CGH) group which includes bile salt hydrolases (BSH) responsible for bile deconjugation. Even though a few PVA and BSH structures have been reported, no structure of a functional PVA from Gram-negative bacteria is available. Here, we report the crystal structure of a highly active PVA from Gram-negative Pectobacterium atrosepticum (PaPVA) at 2.5 angstrom resolution. Structural comparison with PVAs from Gram-positive bacteria revealed that PaPVA had a distinctive tetrameric structure and active site organization. In addition, mutagenesis of key active site residues and biochemical characterization of the resultant variants elucidated the role of these residues in substrate binding and catalysis. The importance of residue Trp23 and Trp87 side chains in binding and correct positioning of Pen V by PVAs was confirmed using mutagenesis and substrate docking with a 15 ns molecular dynamics simulation. These results establish the unique nature of Gram-negative CGHs and necessitate further research about their substrate spectrum. (C) 2015 Elsevier Inc. All rights reserved.
}, keywords = {Aromatic stacking, Cholylglycine hydrolase, molecular dynamics, Mutagenesis, Oligomeric interactions}, issn = {1047-8477}, doi = {10.1016/j.jsb.2015.12.008}, author = {Avinash, Vellore Sunder and Panigrahi, Priyabrata and Chand, Deepak and Pundle, Archana and Suresh, Cheravakattu Gopalan and Ramasamy, Sureshkumar} } @article { ISI:000369515700061, title = {Structural and conformational properties of polybenzimidazoles in melt and phosphoric acid solution: a polyelectrolyte membrane for fuel cells}, journal = {RSC Advances}, volume = {6}, number = {10}, year = {2016}, month = {DEC}, pages = {8211-8221}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Poly[2,2{\textquoteright}-(p-phenylene)-5,5{\textquoteright}-bibenzimidazole (PBI) and poly(2,5-benzimidazole) (ABPBI) doped with phosphoric acid (PA) are considered as potential polymer electrolyte membranes for high temperature fuel cells. Conformational and structural properties of polymer chains in the presence of PA govern the function of the membrane. Therefore, in this work, a single chain conformational analysis of ABPBI and PBI in melt as well as in PA was performed using classical molecular dynamics simulations. End-to-end distance and the radius of gyration reveal significant changes in the conformations of PBI and ABPBI in PA. The structural changes are analyzed locally segment-wise as well as globally in these polymers. The shape and nature of the curvature along the chain is found to be significantly different for ABPBI and PBI. The role of the solvent (PA) on the chain backbone structure is explored for PA doped ABPBI and PBI chains. The PA arrangement along the backbone confirms that benzimidazole density in the case of both of the polymers determines the PA absorbing capacity. The H-bonding interactions between various atoms of the polymer backbone and the atoms of the PA molecules are evaluated along the polymer chain which relates to the arrangement of PA along the backbone. The reasons for the varying number of H-bonds along ABPBI and PBI which in turn has a significant effect on the stiffness of the chains are investigated.
}, issn = {2046-2069}, doi = {10.1039/c5ra22159e}, author = {Pahari, Swagata and Roy, Sudip} } @article { ISI:000375723900014, title = {Structural insight into self assembly of sophorolipids: a molecular dynamics simulation study}, journal = {Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry \& Chemical Physics}, volume = {230}, number = {5-7, SI}, year = {2016}, month = {MAY}, pages = {819-836}, publisher = {WALTER DE GRUYTER GMBH}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {
Sophorolipids contain hydrophilic head groups at the ends of a long hydrophobic tail. As a result, sophorolipids can self assemble into variety of structures in water. Atomistic self assembly simulations of sophorolipids are performed in water. Two sophorolipids, oleic acid sophorolipid and linolenic acid sophorolipid, differing in number of double bonds in the hydrophobic tail are considered for this study. Long time self assembly simulations are performed considering 1 :3 lipid to water ratio by weight for both oleic and linolenic acid sophorolipids. In addition to 1 : 3 ratio, long time self assembly simulations are also performed with 1 : 1 and 1 : 2 ratios for linolenic acid sophorolipids. Distinctions in structural arrangements of sophorolipid molecules in the self assembled configuration for all the systems are investigated. The present study aims to provide structural insight into the different self assembled configurations of sophorolipids in water.
}, keywords = {MD Simulation, self assembly, sophorolipids, United Atom Force Field}, issn = {0942-9352}, doi = {10.1515/zpch-2015-0719}, author = {Pandey, Prithvi Raj and Dhasaiyan, Prabhu and Bhagavatula L. V. Prasad and Roy, Sudip} } @article { ISI:000373935600005, title = {Structural insight of NICD-MAML interactions: virtual screening, docking and molecular dynamics study for the identification of potential inhibitor}, journal = {Letters in Drug Design \& Discovery}, volume = {13}, number = {4}, year = {2016}, month = {JAN}, pages = {301-313}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Activation of Notch signalling pathway is triggered by binding of NICD to transcription factor CSL and transcriptional co-activator MAML, which involves in various biological functions as well as progression of diseases. Recent prediction shows suppression of cancer causing genes of this pathway through inhibition of NICD-MAML interaction. Through virtual screening against {\textquoteleft}{\textquoteleft}NCI Diversity 3{\textquoteright}{\textquoteright} of Zinc database, we identified a potential inhibitor {\textquoteleft}{\textquoteleft}ZINC01690699{\textquoteright}{\textquoteright} (1-N,4-N-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide; 1-N, 4-dicarboxamide) possessing highest binding affinity to block the two distinct Binding Sites of NICD to inhibit NICD-MAML interaction and also found the most imperative and essential Binding Site (Site I). Inhibition of this interaction caused by binding of ZINC01690699 is validated by protein-protein docking and the prolonged binding as well as stability of NICD-Inhibitor complex is supported by molecular dynamics simulation. The study not only identifies the best inhibitor but also proposes a potential drug for the treatment of cancers.
}, keywords = {free energy of binding, MAML, NICD, Notch signalling, potential inhibitor, ZINC01690699}, issn = {1570-1808}, doi = {10.2174/1570180812666150819003634}, author = {Sinha, Noopur and Chowdhury, Saikat and Sarkar, Ram Rup} } @article { ISI:000374037600002, title = {Structural insights and functional implications of inter-individual variability in beta(2)-adrenergic receptor}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {APR}, pages = {24379}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {
The human beta(2)-adrenergic receptor (beta(2)AR) belongs to the G protein-coupled receptor (GPCR) family and due to its central role in bronchodilation, is an important drug target. The inter-individual variability in beta(2)AR has been implicated in disease susceptibility and differential drug response. In this work, we identified nine potentially deleterious non-synonymous single nucleotide polymorphisms (nsSNPs) using a consensus approach. The deleterious nsSNPs were found to cluster near the ligand binding site and towards the G-protein binding site. To assess their molecular level effects, we built structural models of these receptors and performed atomistic molecular dynamics simulations. Most notably, in the Phe290Ser variant we observed the rotameric flip of Trp286(6.48), a putative activation switch that has not been reported in beta(2)AR thus far. In contrast, the variant Met82Lys was found to be the most detrimental to epinephrine binding. Additionally, a few of the nsSNPs were seen to cause perturbations to the lipid bilayer, while a few lead to differences at the G-protein coupling site. We are thus able to classify the variants as ranging from activating to damaging, prioritising them for experimental studies.
}, issn = {2045-2322}, doi = {10.1038/srep24379}, author = {Tandale, Aditi and Joshi, Manali and Sengupta, Durba} } @article {45643, title = {Structural-functional insights and studies on saccharide binding of Sophora japonica seed lectin}, journal = {International Journal of Biological Macromolecules}, volume = {91}, year = {2016}, month = {OCT}, pages = {75-84}, type = {Article}, abstract = {
Functional and conformational transitions of the Sophora japonica seed lectin (SJL) were studied in detail using bioinformatics and biophysical tools. Homology model of the lectin displayed all the characteristics of the legume lectin monomer and the experimental observations correlated well with the structural information. In silico studies were performed by protein-ligand docking, calculating the respective binding energies and the residues involved in the interactions were derived from LigPlot(+) analysis. Fluorescence titrations showed three times higher affinity of T-antigen disaccharide than N-acetyl galactosamine (GaINAc) towards SJL indicating extended sugar binding site of the lectin. Thermodynamic parameters of T-antigen binding to SJL indicated the process to be endothermic and entropically driven while those of GaINAc showed biphasic process. SDS-PAGE showed post-translationally modified homotetrameric species of the lectin under native conditions. In presence of guanidine hydrochloride (0.5-5.0 M), the tetramer first dissociated into dimers followed by unfolding of the protein as indicated by size exclusion chromatography, fluorescence and CD spectroscopy. Different structural rearrangements were observed during thermal denaturation of SJL at physiological pH 7.2, native pH 8.5 and molten globule inducing pH 1.0. Topological information revealed by solute quenching studies at respective pH indicated differential hydrophobic environment and charge density around tryptophan residues. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Dissociation, docking, Homology model, Ligand binding, Sophora japonica seed lectin, Thermal transitions}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2016.05.047}, author = {Yadav, Priya and Shahane, Ganesh and Ramasamy, Sureshkumar and Sengupta, Durba and Gaikwad, Sushama} } @article { ISI:000381165300025, title = {Studies of synergy between metal-support interfaces and selective hydrogenation of HMF to DMF in water}, journal = {Journal of Catalysis}, volume = {340}, year = {2016}, month = {AUG}, pages = {248-260}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Metal-support interfaces play a very important role in heterogeneous catalysis. The interfacial interactions not only are responsible for stabilizing the necessary oxidation state to facilitate the reaction but also enhance the stability of the catalyst system. Nano dispersion of Ni on mesoporous nitrogen-rich carbon material has been achieved using two different synthesis methods. It was observed that nickel (0) gets stabilized by strong interfacial interaction with the nitrogen atoms of the support material, and the material was found to be very economic and efficient for the conversion of HMF to DMF in aqueous medium. The material shows \>= 99\% conversion to 5-(hydroxymethyl) furfural (HMF) within 6 h of reaction with 98.7\% DMF selectivity. A unique correlation between synthesis methods and particle sizes with catalytic performance has been observed for these newly developed materials. Furthermore, a DFT calculation has been performed to predict the reaction mechanism. (C) 2016 Elsevier Inc. All rights reserved.
}, keywords = {biofuels, Biomass, Hydrogenation, mesoporous carbon, Ni-CNx}, issn = {0021-9517}, doi = {10.1016/j.jcat.2016.05.012}, author = {Goyal, Reena and Sarkar, Bipul and Bag, Arijit and Siddiqui, Nazia and Dumbre, Deepa K. and Lucas, Nishita and Bhargava, Suresh Kumar and Bordoloi, Ankur} } @article { ISI:000380167200011, title = {Studies on the static and dynamic properties of different types of polyester industrial yarns}, journal = {Journal of the Textile Institute}, volume = {107}, number = {9}, year = {2016}, month = {OCT}, pages = {1175-1184}, publisher = {TAYLOR \& FRANCIS LTD}, address = {2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND}, abstract = {
Four major types of polyester industrial yarns, viz. high tenacity (HT), high modulus low shrinkage (HMLS), low shrinkage (LS) and super low shrinkage (SLS) polyester yarns, were studied for their static and dynamic properties. An attempt has been made to establish a linkage between static and dynamic properties of these yarns with its structure and with its end applications. HMLS and HT polyester yarns have lower tan delta and work loss, which are the desired characteristics required for its end applications which include tire and conveyer belt. Higher overall orientation and higher fraction of tie molecules helped to achieve these properties in HT and HMLS polyester yarns. LS and SLS polyester yarns are mostly used for static applications. Low thermal shrinkage is the key requirement for the downstream processes of these yarns. Lower amorphous orientation in these two yarns is primarily responsible for achieving very low thermal shrinkage. A good co-relation has been established between the peak temperature of work loss (in slow speed hysteresis test) and the peak temperature of tan delta (in high-speed dynamic test).
}, keywords = {creep, modulus, polyester, shrinkage, tan delta, work loss}, issn = {0040-5000}, doi = {10.1080/00405000.2015.1097087}, author = {Samui, Barun Kumar and Dasgupta, Saikat and Mukhopadhyay, R. and Ramesh, C. and Chakrabarty, Debabrata} } @article {43643, title = {Study of magnetic and thermal properties of SmCrO3 polycrystallites}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {AUG}, pages = {82014-82023}, abstract = {In the present work, we have studied the magnetic and thermal properties of sol gel derived samarium chromite (SCO) polycrystallites. The magnetic measurements of SCO polycrystallites show a characteristic antiferromagnetic transition T-N similar to 190 K and spin reorientation temperature T-SR similar to 33 K, which is in the region of interest to study a possible magnetocaloric effect (MCE). The isothermal magnetic entropy change (Delta S-M) is estimated by an indirect method from the isothermal magnetization curves measured in this temperature range. The SCO polycrystallites possesses both inverse (positive) and normal (negative) MCE at and above around the spin reorientation transition (TSR) with Delta S-M(max) M values of similar to -24 x 10(-2) \& 13 x 10(-2) J kg(-1) K-1, respectively. The SCO also shows another normal (negative) MCE peak around its Neel transition (T-N) with -Delta S-M(max) M similar to 11 x 10(-2) J kg(-1) K-1. The presence of two successive MCE peaks in SCO in the temperature range of 3-50 K, leads to an similar to 47 K operating temperature window with one thermodynamic cycle. In addition, the low temperature heat capacity (C-P) measurements of SCO polycrystallites reveal a lambda-shaped peak at T-N which is associated with a conventional second- order, paramagnetic to antiferromagnetic (AFM), phase transition. The temperature and magnetic field dependence of the specific heat capacity was studied and analyzed to estimate the adiabatic temperature change (Delta T-ad). In addition the C-P vs. T curve in SCO also shows a weak anomaly around the similar to T-SR along with a Schottky anomaly below 10 K.}, doi = {10.1039/c6ra17203b}, author = {Gupta, Preeti and Poddar, Pankaj} } @article { ISI:000375255500006, title = {Study of magnetic entropy and heat capacity in ferrimagnetic Fe3Se4 nanorods}, journal = {Journal Of Physics D-Applied Physics}, volume = {49}, number = {19}, year = {2016}, month = {MAY}, pages = {195003}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
Change in the magnetic entropy and specific heat capacity in Fe3Se4 nanorods synthesized by a wet-chemical method in a broad temperature (215-340 K) and magnetic field range (0-60 k Oe) was studied. The isothermal magnetic entropy change (Delta S-M) is estimated by an indirect method from the isothermal magnetization curves measured in this temperature range. S-M(max) of -46 x 10(-2) J kg(-1).K-1 was obtained at similar to 317 K when the field was changed from 0 to 60 kOe. The maximum in the isothermal magnetic entropy change (Delta S-M) is observed in close proximity to TC (similar to 323 K), which is linked to the order-disorder transition. The nature of this transition was analyzed by universal curve behavior. The temperature and magnetic field dependence of specific heat capacity was studied and analyzed to estimate the adiabatic temperature change (Delta T-ad). The magnetic entropy change of Fe3Se4 nanoparticles is found to be comparable with similar ferrite and manganite nanoparticle systems and a broad operating temperature window of similar to 30 K was observed around room temperature.
}, keywords = {heat capacity, iron selenide, Magnetic anisotropy, magnetic entropy, order-disorder phase transition}, issn = {0022-3727}, doi = {10.1088/0022-3727/49/19/195003}, author = {Sen Bishwas, Mousumi and Poddar, Pankaj} } @article {42429, title = {Substrate-controlled selectivity switch in the three-component coupling involving arynes, aromatic tertiary amines, and CO2}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {OCT}, pages = {5424{\textendash}5427}, abstract = {
The transition-metal-free multicomponent coupling involving arynes, aromatic tertiary amines, and CO2\ is reported. The reaction exhibits switchable selectivity depending on the electronic nature of the aromatic amines used. With amines bearing electron-releasing/neutral groups as the nucleophilic trigger, the reaction afforded 2-arylamino benzoates via a nitrogen to oxygen alkyl group migration. Employing electron-deficient amines in the reaction furnished 2-aminoaryl benzoates proceeding via the aryl to aryl amino group migration resembling a Smiles rearrangement.
}, doi = {10.1021/acs.orglett.6b02845}, author = {Bhojgude, Sachin Suresh and Roy, Tony and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000373019700004, title = {Sulfonated graphene oxide as highly efficient catalyst for glycosylation}, journal = {Journal of Carbohydrate Chemistry}, volume = {35}, number = {1}, year = {2016}, month = {JAN}, pages = {57-68}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
Heterogeneous sulfonated graphene oxide for the first time has been used as a green and efficient catalyst for atom-economic glycosylation of unprotected, unactivated glycosyl donors or 2,3,4,6-tetra-O-acetylglycosyltrichloroacetimidate with various acceptors basically in the absence of solvent. The unprotected, unactivated glycosyl donors afforded mixtures of alpha- and beta-glycosides, while the 2,3,4,6-tetra-O-acetylglycosyltrichloroacetimidate afforded beta-glycosylated products with high yields and selectivity. The main advantages of this methodology are easy catalyst preparation, no need for dry reagents and reaction conditions, easy catalyst separation and recycling, and high product yields.
}, keywords = {glycol donor, glycosyl acceptor, glycosylation, reusability, Sulfonated graphene oxide}, issn = {0732-8303}, doi = {10.1080/07328303.2015.1120874}, author = {Thombal, Raju S. and Jadhav, Vrushali H.} } @article { ISI:000369537900099, title = {Sunlight assisted degradation of dye molecules and reduction of toxic Cr(VI) in aqueous medium using magnetically recoverable Fe3O4/reduced graphene oxide nanocomposite}, journal = {RSC Advances}, volume = {6}, number = {13}, year = {2016}, month = {JAN}, pages = {11049-11063}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In view of the significant impact of magnetically recoverable catalysts in photocatalytic applications, Fe3O4/reduced graphene oxide (rGO) nanocomposite photocatalyst was synthesized by adopting an eco-friendly solution chemistry approach and has been characterized by high resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and photoluminescence (PL) spectroscopy. Fe3O4/rGO nanocomposite is efficiently utilized towards photocatalytic degradation of carcinogenic and mutagenic cationic as well as anionic dye molecules namely methyl green (MG), methyl blue (MB) and rhodamine B (RhB) under direct sunlight irradiation. The Fe3O4/rGO nanocomposite also demonstrated excellent photocatalytic reduction of aqueous Cr(VI) solution to nontoxic aqueous Cr(III) solution of more than 96\% within 25 min under sunlight irradiation. Moreover, reusability of the magnetically recovered photocatalyst was studied efficiently up to 10 cycles in the degradation process. The catalyst was also characterized after the degradation of the dye molecule and the particle size of the Fe3O4 nanoparticles on the rGO sheets remained unchanged. The present investigation focuses on the importance of the use of Fe3O4/rGO nanocomposite towards photocatalytic degradation of waste water containing organic dye pollutants and toxic Cr(VI), as an easily recoverable and reusable photocatalyst with potential for many environmental remediation applications.
}, issn = {2046-2069}, doi = {10.1039/c5ra25035h}, author = {Boruah, Purna K. and Borthakur, Priyakshree and Darabdhara, Gitashree and Kamaja, Chaitanya Krishna and Karbhal, Indrapal and Shelke, Manjusha V. and Phukan, Pallabi and Saikia, Dulen and Das, Manash R.} } @article { ISI:000375810400037, title = {Supramolecular metallogel that imparts self-healing properties to other gel networks}, journal = {Chemistry of Materials}, volume = {28}, number = {9}, year = {2016}, month = {MAY}, pages = {3210-3217}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A unique proton conductive and moldable supramolecular metallogel (CuA-Ox-gel) made upon mixing at room temperature well-defined stock solutions of Cu(OAc)(2). H2O and oxalic acid dehydrate was found to have self-healing properties. Remarkably, the system also displayed an unprecedented ability to impart self-healing properties to other gel networks lacking this capacity. A self-healed CuA-Ox metallogel was found to have essentially the same nanofibrillar morphology, thermal stability, rheological properties, and conductivity as the freshly prepared sample. The discovery also allowed the fabrication of self-healing conductive composites containing conductive carbonaceous materials. Overall, this work serves as a proof of concept for the transfer of self-healing properties between completely different gel networks.
}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.6b01144}, author = {Feldner, Tobias and Haering, Marleen and Saha, Subhadeep and Esquena, Jordi and Banerjee, Rahul and Diaz, David Diaz} } @article {43404, title = {Surface chemical bonds, surface-enhanced Raman scattering, and dielectric constant of SiO2 nanospheres in-situ decorated with Ag-nanoparticles by electron-irradiation}, journal = {Journal of Applied Physics}, volume = {120}, year = {2016}, month = {DEC}, pages = {Article Number: 234901}, abstract = {Nanostructures of dielectric materials decorated with metal nanoparticles are of great scientific interest; however, the involved synthesis methods are complicated and require multistep chemical processing, including functionalization of the dielectric surfaces. In the present work, without chemical processes, silver nanoparticles of average sizes in the range of 11 to 15 nm were in-situ synthesized and decorated on SiO2 nanospheres in a single step process by irradiating a solution (AgNO3-polyvinylpyrrolidone (PVP)-SiO2 nanospheres) with 6 MeV electrons at 1.5 x 10(15) e(-)/cm(2), 3.0 x 10(15) e(-)/cm(2), and 4.5 x 10(15) e(-)/cm(2) fluences. The electron irradiated solutions were characterized with different surface and other techniques. The results revealed that the SiO2 nanospheres were uniformly decorated with Ag nanoparticles, and the prominent chemical bonds involved were Ag-O, Si-O-Ag, and Si-Ag. Moreover, the sizes and the decoration density of Ag nanoparticles could be tailored by varying electron fluence. The Surface-enhanced Raman scattering (SERS) of 4-aminothiophenol (4-ATP) solutions was studied using substrates in the form of thin coatings of the solutions of Ag-decorated SiO2 nanospheres. The appearance of the characteristic SERS peaks of both 4-ATP and 4, 4{\textquoteright}-dimercaptoazobenzene (4, 4{\textquoteright}-DMAB) in Raman spectra confirmed the conversion of a fraction of 4-ATP into 4, 4{\textquoteright}-DMAB in the presence of Ag nanoparticles. Composites in the form of thin films were synthesized from the mixture solutions of PVP and Ag-decorated SiO2 nanospheres. The dielectric constant of each thin film was higher as compared to polymers, and could be tailored by varying electron fluence used for decorating Ag nanoparticles. Published by AIP Publishing.}, doi = {10.1063/1.4971866}, author = {Phatangare, A. B. and Dhole, S. D. and Dahiwale, S. S. and Mathe, V. L. and Bhoraskar, S. V. and Late, Dattatray J. and Bhoraskar, V. N.} } @article { ISI:000375270600080, title = {Surface modification of aligned CdO nanosheets and their enhanced field emission properties}, journal = {RSC Advances}, volume = {6}, number = {47}, year = {2016}, month = {APR}, pages = {41261-41267}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Porous aligned CdO nanosheets were grown on a cadmium (Cd) substrate by the simple and cost effective method of thermal annealing. Further, decoration of gold (Au) nanoparticles on the porous aligned CdO nanosheets (specimen A) was achieved by coating with a Au thin film and subsequent annealing treatment. The average diameters of decorated Au nanoparticles were found to be 15 nm, 21 nm and 28 nm for the Au thin films with 20 s, 40 s and 60 s (specimens B, C, and D) coating times. Detailed characterizations, such as structural and morphological analysis of porous CdO nanosheets and Au/CdO nanocomposite (Au decorated porous CdO nanosheets), have been carried out using a Field Emission Scanning Electron Microscope (FESEM), X-ray diffraction (XRD) and a Transmission Electron Microscope (TEM). Field emission studies of specimens A, B, C and D were carried out in the planar diode configuration. Turn-on fields of 1.9 V mu m(-1), 1.1 V mu m(-1), 2.4 V mu m(-1) and 2.8 V mu m(-1) have been found for the emission current density of 10 RA cm(-2) for specimens A, B, C and D, respectively. The observed low turn -on field of specimen B (Au diameter of 15 nm) was found to be superior to other semiconducting nanostructures reported in the literature. The field emission current stability over a period of 3 h at the preset current density of 1 RA cm(-2) is found to be excellent for all specimens. To the best of our knowledge, field emission studies along with surface modification of porous aligned CdO nanosheets have not been reported in the literature. The simple synthesis route, facile surface modification and the superior field emission results make the present emitter very suitable for micro/nano electronic devices.
}, issn = {2046-2069}, doi = {10.1039/c5ra28000a}, author = {Bagal, Vivekanand S. and Patil, Girish P. and Deore, Amol B. and Suryawanshi, Sachin R. and Late, Dattatray J. and More, Mahendra A. and Chavan, Padmakar G.} } @article { ISI:000372766400005, title = {Surface tailored PS/TiO2 composite nanofiber membrane for copper removal from water}, journal = {Journal of Colloid and Interface Science}, volume = {469}, year = {2016}, month = {MAY}, pages = {31-37}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Polystyrene (PS)/TiO2 composite nanofiber membranes have been fabricated by electrospinning process for Cu2+ ions removal from water. The surface properties of the polystyrene nanofibers were modulated by introducing TiO2 nanoparticles. The contact angle of the PS nanofiber membrane was found to be decreased with increasing concentration of TiO2, depicted enhanced hydrophilicity. These membranes were highly effective in adsorbing Cu2+ ions from water. The adsorption capacity of these membranes was found to be 522 mg/g, which is significantly higher than the results reported by other researchers. This was attributed to enhanced hydrophilicity of the PS/TiO2 composite nanofiber membranes and effective adsorption property of TiO2 nanoparticles. (C) 2016 Elsevier Inc. All rights reserved.
}, keywords = {electrospinning, Metal ion adsorption, Nanofiber, TiO2, Water treatment/purification}, issn = {0021-9797}, doi = {10.1016/j.jcis.2016.01.054}, author = {Wanjale, Santosh and Birajdar, Mallinath S. and Jog, Jyoti Prakash and Neppalli, Ramesh and Causin, Valerio and Karger-Kocsis, Jozsef and Lee, Jonghwi and Panzade, Prasad} } @article {43058, title = {Sustainable catalytic process for synthesis of triethyl citrate plasticizer over phosphonated USY zeolite}, journal = {Bulletin of Chemical Reaction Engineering and Catalysis}, volume = {11}, year = {2016}, month = {OCT}, pages = {292-298}, abstract = {
Fruits wastage is harmful to health and environment concerning spreading diseases and soil pollution, respectively. To avoid this issue, use of citrus fruit waste for the production of citric acid (CA) is one of viable mean to obtain value added chemicals. Moreover, synthesis of triethyl citrate (TEC), a non-toxic plasticizer by esterification of CA with ethanol over heterogeneous catalyst would be renewable and sustainable catalytic process. In this context, parent Ultrastable Y (USY) and different percentage phosphonated USY (P-USY) zeolites were used for the synthesis of TEC in a closed batch reactor, for the first time. The synthesized catalysts were characterized by N2-adsorption desorption isotherm, powder X-ray diffraction (XRD) and NH3 temperature programmed desorption (TPD. Effect of reaction conditions, such as the molar ratio of ethanol to CA (5:1 - 20:1), the catalyst to CA ratio (0.05-0.25) and reaction temperature (363-403 K), were studied in view to maximizing CA conversion and TEC yield. Phosphonated USY catalysts were found to be superior in activity (CA conversion and TEC yield) than parent USY, which is attributed to the increased in total acidity with phosphonation. Among the studied catalysts, the P2USY (2\% phosphorous loaded on USY) was found to be an optimum catalyst with 99\% CA conversion and 82\% TEC yield, which is higher than the reported values. This study opens new avenues of research demonstrating principles of green chemistry such as easy separable and reusable catalyst, non-toxic product, bio-renewable synthetic route, milder operating parameters and waste minimization.
}, doi = {10.9767/bcrec.11.3.569.292-298}, author = {Nandiwaleand, Kakasaheb Y. and Bokade, Vijay V.} } @article {42694, title = {Sustainable Iron-catalyzed direct imine formation by acceptorless dehydrogenative coupling of alcohols with amines}, journal = {Green Chemistry}, volume = {18}, year = {2016}, month = {MAY}, pages = {3232-3238}, abstract = {
The Acceptorless Dehydrogenative Coupling (ADC) of alcohols with amines is reported using a heterogeneous Fe-catalyst. The reaction operates under mild conditions with the liberation of dihydrogen and water as the byproducts. The developed ADC strategy is simple, efficient, exhibits wide functional group tolerance and can be scaled up. The present catalytic approach possesses a dual role; acting as a catalyst as well as being magnetically separable. The sustainable reuse of a heterogeneous iron catalyst is also shown.
}, doi = {10.1039/C6GC00565A}, author = {Jaiswal, Garima and Landge, Vinod Gokulkrishna and Jagadeesan, Dinesh and Balaraman, Ekambaram} } @article {43426, title = {Switch-on NIR probe for specific detection of Hg2+ ion in aqueous medium and in mitochondria}, journal = {Inorganic Chemistry}, volume = {55}, year = {2016}, month = {NOV}, pages = {12052-12060}, abstract = {A new 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY)-based probe molecule (L) is synthesized for specific binding to Hg2+ ion in physiological condition with an associated luminescence ON response in the near-IR region of the spectrum. Appropriate functionalization in the 5-position of each of two pyrrole moieties with styryl functionality in a BODIPY core helped us in achieving the extended conjugation and a facile intramolecular charge transfer transition with a narrow energy gap for frontier orbitals. This accounted for a poor emission quantum yield for the probe molecule L. Binding to. Hg2+ helped in interrupting the facile intramolecular charge transfer (ICT) process that was initially operational for L. This resulted in a hypsochromic shift of absorption band and a turn-on luminescence response with lambda(Em)(max) of 650 nm on specific binding to Hg2+. Observed spectral changes are rationalized based on quantum chemical calculations. Interestingly, this reagent is found to be localized preferentially in the mitochondria of the live human colon cancer (Hct116) cells. Mitochondria is one of the major targets for localization of He2+, which actually decreases the mitochondrial membrane potential and modifies various proteins having sulfudryl functionality(ies) to cause cell apoptosis. Considering these, ability of the present reagent to specifically recognize Hg2+] in the mitochondrial region of the live Hct116 cells has significance.}, doi = {10.1021/acs.inorgchem.6b02233}, author = {Agarwalla, Hrideshg and Mahajan, Pankaj S. and Sahu, Debashis and Taye, Nandaraj and Ganguly, Bishwajit and Mhaske, Santosh B. and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000380574100052, title = {Synthesis and antitubercular activity of new 1,3,4-oxadiazoles bearing pyridyl and thiazolyl scaffolds}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {15}, year = {2016}, month = {AUG}, pages = {3646-3651}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In search of more potent and safe new antitubercular agents, here new 2-pyridinyl substituted thiazolyl-5-aryl-1,3,4-oxadiazoles (6a-o), have been designed and synthesized using thionicotinamide as a starting, following novel multistep synthetic route. An intermediate, pyridinyl substituted thiazolyl acid hydrazide (4) when condensed with benzoic acids/nicotinic acids (5a-o) in the presence of silica supported POCl3 yielded better to excellent yields of the title compounds. All the synthesized compounds (6a-o) and intermediate acid hydrazide (4) have been screened for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG. Amongst them, 6f, 6j, 6l and 6o have revealed promising activity against M. bovis BCG at concentrations less than 3 mu g/mL. These compounds have shown low cytotoxicity (CC50: \> 100 mu g/mL) towards four human cancer cell lines. Molecular docking study has also been performed against mycobacterial enoyl reductase (InhA) enzyme to gain an insight into the binding modes of these molecules and recorded good binding affinity. The ADME properties the title products have also been analyzed. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {1, 3, 4-Oxadiazole, Antitubercular activity, Cytotoxicity, Molecular docking, Pyridine, Thiazole}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.05.093}, author = {Dhumal, Sambhaji T. and Deshmukh, Amarsinh R. and Bhosle, Manisha R. and Khedkar, Vijay M. and Nawale, Laxman U. and Sarkar, Dhiman and Mane, Ramrao A.} } @article { ISI:000381452800005, title = {Synthesis and antitubercular activity of new benzo[b]thiophenes}, journal = {ACS Medicinal Chemistry Letters}, volume = {7}, number = {8}, year = {2016}, month = {AUG}, pages = {751-756}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
In vitro and ex vivo efficacies of four series of benzo[b]thiophene-2-carboxylic acid derivatives were studied against Mycobacterium tuberculosis H37Ra (MTB). Benzo[b]thiophenes were also tested in vitro against multidrug resistant Mycobacterium tuberculosis H37Ra (MDR-MTB), and 7b was found to be highly active against A- and DMDR-MTB/MTB (MIC ranges 2.73-22.86 mu g/mL). The activity of all benzo[b]-thiophenes against M. bovis BCG (BCG) was also assessed grown under aerobic and under conditions of oxygen depletion. Compounds 8c and 8g showed significant activity with MICs of 0.60 and 0.61 mu g/mL against dormant BCG. The low cytotoxicity and high selectivity index data against human cancer cell lines, HeLa, Panc-1, and THP-1 indicate the potential importance of the development of benzo[b]thiophene-based 1,3-diketones and flavones as lead candidates to treat mycobacterial infections. Molecular docking studies into the active site of DprE1 (Decaprenylphosphoryl-beta-n-ribose-2{\textquoteright}-epimerase) enzyme revealed a similar binding mode to native ligand in the crystal structure thereby helping to understand the ligand protein interactions and establish a structural basis for inhibition of MTB. In summary, its good activity in in vitro and ex vivo model, as well as its activity against multidrug-resistant M. tuberculosis H37Ra in a potentially latent state, makes 7b an attractive drug candidate for the therapy of tuberculosis.
}, keywords = {Benzo[b]thiophene, Cytotoxicity, M. Bovis BCG, MDR-MTB, Molecular docking}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.6b00077}, author = {Mahajan, Pravin S. and Nikam, Mukesh D. and Nawale, Laxman U. and Khedkar, Vijay M. and Sarkar, Dhiman and Gill, Charansingh H.} } @article { ISI:000367329700060, title = {Synthesis and bioactivity of novel triazole incorporated benzothiazinone derivatives as antitubercular and antioxidant agent}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {2}, year = {2016}, month = {JAN}, pages = {561-569}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
In search of new active molecules against Mycobacterium tuberculosis (MTB) H37Ra and M. bovis BCG, a small focused library of benzothiazinone based 1,2,3-triazoles has been efficiently prepared via click chemistry approach. Several derivatives were found to be promising inhibitors of MTB and M. bovis BCG characterized by lower MIC values (27.34-29.37 mu g/mL). Among all the synthesized compounds, 6c and 6e is the most active compound against MTB and M. bovis BCG. The compounds were further tested for anti-proliferative activity against HeLa, A549 and A431 cell lines using MTT assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antioxidant activity with IC50 range = 14.14-47.11 mu g/mL. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against a potential target MTB DprE1, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of the in vitro and in silico study suggest that the triazole incorporated benzothiazinone may possess the ideal structural requirements for further development of novel therapeutic agents. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {1, 2, 3-Triazole, ADME prediction, Antioxidant, Antitubercular, Docking study}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2015.11.071}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Arkile, Manisha A. and Khedkar, Vijay M. and Jadhav, Nandadeep J. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {42896, title = {Synthesis and biological evaluation of palmyrolide a macrocycles as sodium channel blockers towards neuroprotection}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, year = {2016}, month = {AUG}, pages = {8457-8473}, abstract = {
Palmyrolide A is a neuroprotective macrolide isolated by Gerwick and coworkers in 2010. This natural product is known to suppress neuronal spontaneous calcium ion oscillations through its voltage-gated sodium channel blocking ability which is of significant interest in CNS drug discovery. Herein, we give a detailed account on total synthesis of (+)-palmyrolide A and synthesis of a focused library of macrocycles around the scaffold, followed by their biological evaluation. Use of the chiral pool approach, Zhu{\textquoteright}s oxidative homologation, access to unnatural cis-palmyrolide A, preparation of 18 new analogues and identification of macrolides with improved sodium channel blocking activity are the important features of the present paper. As a measure of potency as voltage-gated sodium channel blockers, all the synthesized analogues were profiled for their ability to inhibit the veratridine-stimulated Na+ influx in murine primary neuronal cultures. Four macrocycles were found to be more potent or comparable to that of the natural product (-)-palmyrolide A. The most potent compound from this series 20 was structurally simplified and readily accessible in good quantities for further biological profiling.
}, author = {Philkhana, Satish Chandra and Mehrotra, Suneet and Murray, Thomas F. and Reddy, D. Srinivasa} } @article {45646, title = {Synthesis and characterization of FeTiO3 ceramics}, journal = {Arabian Journal of Chemistry}, volume = {9}, year = {2016}, month = {SEP}, pages = {S429-S432}, type = {Article}, abstract = {
Nanocrystalline FeTiO3 ceramics powders were prepared by the sol-gel process combined with a surfactant-assisted template method. The resulting powders were calcined at different temperatures ranging from 150 degrees C to 600 degrees C for 2 h in an air. The results revealed that a pure hexagonal phase of FeTiO3 could be obtained at low temperature, 600 degrees C. The phase evolution of FeTiO3 was investigated by X-ray diffraction patterns (XRD), Fourier-transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy (XPS). Particle size and morphology was studied by transmission electron microscopy (TEM). (C) 2011 Production and hosting by Elsevier B.V. on behalf of King Saud University.
}, keywords = {Electron microscopy, hexagonal phase, Nanoparticles, sol-gel process, Ti-O bond}, issn = {1878-5352}, doi = {10.1016/j.arabjc.2011.05.012}, author = {Gambhire, Anil B. and Lande, Machhindra K. and Rathod, Sandip B. and Arbad, Balasaheb R. and Vidhate, Kaluram N. and Gholap, Ramakrishna S. and Patil, Kashinath R.} } @article { ISI:000374588500013, title = {Synthesis and characterization of nanoporous silica SBA-15 diaminocyclohexane and its application in removal of Cu(II) and Ni(II) from aqueous solution}, journal = {Desalination and Water Treatment}, volume = {57}, number = {33}, year = {2016}, month = {JUL}, pages = {15397-15409}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
A new nanoporous 1,2-diaminocyclohexane-functionalized SBA-15 (Dach@SBA-15) silica sorbent was prepared. The structure and physicochemical properties of the material were characterized by elemental analysis, X-ray diffraction, transmission electron microscopy (TEM), scanning electron microscopy, FT-IR spectroscopy, nitrogen adsorption-desorption isotherms and thermogravimetric analysis. TEM image clearly showed the sheet-like structure of Dach@SBA-15. The organic functional groups were successfully grafted onto the SBA-15 surface and the ordering of the support was not affected by the chemical modification. The Dach@SBA-15was used as a sorbent for removal of Cu(II) and Ni(II) from aqueous solution. Experimental parameters like effect of pH, contact time and metal ion concentration were studied and optimized. The adsorption isotherm data fitted well to Langmuir isotherm model and the monolayer adsorption capacity values for Cu(II) was 90.09 and for Ni (II) was 84.03 mg/g at 303 K. The experimental kinetic data fitted very well to the pseudosecond- order model. The Dach@SBA-15 could be used as a sorbent for removal of Cu(II) and Ni(II) from aqueous medium.
}, keywords = {Adsorption, BET, FAAS, FT-IR, Heavy metals, Nanoporous silica}, issn = {1944-3994}, doi = {10.1080/19443994.2015.1072741}, author = {Sreenu, Bhogineni and Sharma, Priti and Seshaiah, Kalluru and Singh, A. P.} } @article {45828, title = {Synthesis and characterization of novel polymer-hybrid silver nanoparticles and its biomedical study}, journal = {Materials Today: Proceedings}, volume = {3}, year = {2016}, month = {JUN}, pages = {1949-1957}, type = {Article}, abstract = {
Hybrid polymer metal nanoparticles have advantages over conventional metal nanoparticles with respect to their stability, chemical resistance, antibacterial activity and drug delivery properties. In the current work, we have synthesized novel stimuli-responsive polymer hybrid silver nanoparticles using green synthesis method, where the plant extract is used as a reducing agent in the synthesis. Encapsulating metal nanoparticles with stimuli-responsive soft-polymeric system is novel and provides additional versatility whose functions and properties can be tailored by controlling any of the stimuli such as pH, temperature, ionic strength with respect to their antibacterial activity and physiological condition. Moreover, green synthesis methods have advantages over conventional methods involving chemical reducing agents that are often associated with environmental toxicity because of their enhanced antibacterial and other biological effects. The synthesized hybrid particles were characterized using Dynamic light scattering, UV-Visible spectroscopy and Small angle x-ray scattering. Further, we have investigated the antibacterial and cytotoxicity effect of these hybrid particles against different bacterial cells ( Salmonella) and mammalian cell lines (HCT116) respectively. These results are discussed in the light of previous studied work and these results suggest that our synthesized polymer hybrid nanoparticles are more antibacterial and less cytotoxic than the usual silver nanoparticles. (C) 2015Elsevier Ltd.All rights reserved.
}, keywords = {Antibacterial effect, Cytotoxicity, Polymeric hybrid particless, silver nanoparticles}, doi = {10.1016/j.matpr.2016.04.096}, author = {Verma, Suresh Kumar and Jha, Ealisha and Kiran, K. J. and Bhat, Suresh and Suar, Mrutyunjay and Mohanty, P. S.} } @article {43612, title = {Synthesis and characterization of simple cost-effective trans-A(2)BC porphyrins with various donor groups for dye-sensitized solar cells}, journal = {New Journal of Chemistry}, volume = {40}, year = {2016}, month = {JUL}, pages = {5704-5713}, abstract = {We have designed and synthesized a series of simple cost-effective {\textquoteright}push-pull{\textquoteright} Zn(II) porphyrin dyes containing various electron donors such as 2-thienyl, pyrenyl, phenyl, 4{\textquoteright}-bromophenyl, 4{\textquoteright}-tbutylphenyl and 4{\textquoteright}-carboxyphenyl acceptor moieties in three steps. Their optical absorption spectra, electrochemical redox and photovoltaic properties have been investigated in detail. The overall power conversion efficiencies (Z) of DSSCs based on these dyes are in the range of 2.1 to 4.2\% and highly depend on their donor moiety. The incorporation of trans-10,20-dimesityl groups is highly beneficial for preventing the p-p aggregation among the porphyrin moieties, thus favorably suppressing the charge recombination and intermolecular interaction. Among all, pyrenyl appended Zn(II) porphyrin has exhibited a higher power conversion efficiency of 4.2\% under 1 sun illumination due to the extended p-conjugation and electron donating ability of the pyrenyl moiety.}, doi = {10.1039/c5nj02610e}, author = {Kumar, Ravi and Sankar, Muniappan and Sudhakar, Vediappan and Krishnamoorthy, Kothandam} } @article { ISI:000374104500001, title = {Synthesis and characterization of superhydrophobic-superoleophilic surface}, journal = {Journal of Sol-Gel Science and Technology}, volume = {78}, number = {3}, year = {2016}, month = {JUN}, pages = {475-481}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
The binary superhydrophobic-superhydrophilic surface has been successfully achieved by a combination of nanoscale texture roughness on micro-textured cotton thread network by layer-by-layer deposition method through the single-step sol-gel route. Furthermore, microstructures with improved wettability were produced, in which silica nanotextures were grown without modifying the chemical method to form superoleophilic and superhydrophobic networks. A superoleophilic surface (oil contact angle 0A degrees) and a superhydrophobic coated cotton fabric with surface free energy of gamma (total) = 13. 23 +/- A 0.37 mJ m(-2) (water contact angle of 167 +/- A 1A degrees and a small sliding angle of 4 +/- A 1A degrees) were successfully obtained. The results were exemplified here by the creation of immiscible oils separation membranes, and the innumerable applications of this technology also include self-cleaning fabrics, antistaining fabrics, water purification, and antiwetting fabrics for military applications.
}, keywords = {contact angle, Layer-by-layer deposition method, sol-gel processing, Superhydrophobic-superoleophilic surface}, issn = {0928-0707}, doi = {10.1007/s10971-016-3974-7}, author = {Mahadik, Satish A. and Pedraza, Fernado D. and Relekar, Brahmanand P. and Parale, Vinayak. G. and Lohar, Gaurav M. and Thorat, Sagar S.} } @article { ISI:000370420000003, title = {Synthesis and characterization of thermally stable polyimides with a pendent phenothiazine unit based on new diamine 10-(3,5-diaminobenzoyl)phenothiazine}, journal = {High Performance Polymers}, volume = {28}, number = {1}, year = {2016}, month = {FEB}, pages = {26-33}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {
A novel diamine 10-(3,5-diaminobenzoyl)phenothiazine (DBPT) with a side chain containing phenothiazine unit was synthesized. A new family of polyimides (PIs) containing phenothiazine unit in the side chains has been successfully synthesized by direct polycondensation of DBPT with pyromellitic dianhydride, 3,3{\textquoteright},4,4{\textquoteright}-benzophenone tertacarboxylic dianhydride, and 4,4{\textquoteright}-oxydiphthalic anhydride (ODA) via a conventional two-step chemical imidization process. The yield of polymers was good enough, which were soluble in most organic solvents. The molecular orbital energy gaps, thermal stability, and crystallinity of PIs were investigated by molecular modeling, thermogravimetric analysis, and wide-angle X-ray scattering, respectively. Thermal properties of polymers were good enough to permit the use of these PIs in various applications; only 49\% weight loss is detected at 900 degrees C in nitrogen atmosphere. X-Ray diffraction clearly reveals the amorphous nature of PIs. A quantum modeling study (density functional theory) has shown the influence of dianhydride structure on the energy difference of highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels.
}, keywords = {phenothiazine-containing diamine, Polyimide, thermally stable polymer}, issn = {0954-0083}, doi = {10.1177/0954008314568877}, author = {Ghorpade, Ravindra V. and Thorave, Asmita K. and Rajan, C. R. and Chavan, Nayaku and Ponrathnam, S.} } @article { ISI:000367915800019, title = {Synthesis and characterization of well-defined random and block copolymers of epsilon-caprolactone with l-lactide as an additive for toughening polylactide: Influence of the molecular architecture}, journal = {Journal of Applied Polymer Science}, volume = {133}, number = {14}, year = {2016}, month = {APR}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Well-defined multiarmed star random and block copolymers of epsilon-caprolactone with l-lactide with controlled molecular weights, low polydispersities, and precise numbers of arms were synthesized by the ring-opening polymerization of respective cyclic ester monomers. The polymers were characterized by H-1-NMR and C-13-NMR to determine their chemical composition, molecular structure, degree of randomness, and proof of block copolymer formation. Gel permeation chromatography was used to establish the degree of branching. Star-branched random copolymers exhibited lower glass-transition temperatures (T-g{\textquoteright}s) compared to a linear random copolymer. When the star random copolymers were melt-blended with poly(l-lactic acid) (PLA), we observed that the elongation of the blend increased with the number of arms of the copolymer. Six-armed block copolymers, which exhibited higher T-g{\textquoteright}s, caused the maximum improvement in elongation. In all cases, improvements in the elongation were achieved with no loss of stiffness in the PLA blends. (c) 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43267.
}, keywords = {biodegradable, copolymers, differential scanning calorimetry, mechanical properties, ring-opening polymerization}, issn = {0021-8995}, doi = {10.1002/app.43267}, author = {Deokar, Megha D. and Idage, Susheela B. and Idage, Bhaskar B. and Sivaram, Swaminathan} } @article { ISI:000373739700025, title = {Synthesis and docking studies of pyrazine-thiazolidinone hybrid scaffold targeting dormant tuberculosis}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {9}, year = {2016}, month = {MAY}, pages = {2224-2228}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
The persistence of Mycobacterium tuberculosis (MTB) in dormant stage assists the pathogen to develop resistance against current antimycobactrial drugs. To address this issue, we report herein the synthesis of N-(4-oxo-2 substituted thiazolidin-3yl) pyrazine-2-carbohydrazide derivatives designed by following the molecular hybridization approach using pyrazine and thiazolidenone scaffolds. The compounds were evaluated against MTB H37Ra and Mycobacterium bovis BCG in dormancy model. Most of the compounds had IC50 values in 0.3-1 mu g/ml range. The active compounds were further tested for anti-proliferative activity against THP-1, Panc-1, A549, and MCF-7 cell lines using MTT assay and exhibited no significant cytotoxicity. We also report molecular docking studies using active analogs and MTB Decaprenylphosphoryl-beta-D-ribose-2{\textquoteright}-epimerase (DprE1) to rationalize the biological activity and to provide an insight into the probable mechanism of action and binding mode of hybridized structures. The results obtained validate the use of molecular hybridization approach and also suggest that reported compounds can provide a novel pharmacophore to synthesize lead compounds against dormat MTB. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {docking, Dormant, Hybrid design, Pyrazine, Thiazolidenone, tuberculosis}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.03.055}, author = {Chitre, T. S. and Asgaonkar, K. D. and Miniyar, P. B. and Dharme, A. B. and Arkile, Manisha A. and Yeware, A. and Sarkar, Dhiman and Khedkar, Vijay M. and Jha, Prakash C.} } @article { ISI:000370693900022, title = {Synthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents (vol 6, pg 2209, 2015)}, journal = {Medchemcomm}, volume = {7}, number = {2}, year = {2016}, month = {DEC}, pages = {379}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2040-2503}, doi = {10.1039/c5md90062j}, author = {Borate, Hanumant B. and Annadate, Ritesh A. and Vagh, Sandip S. and Pisal, Mahesh M. and Deokate, Sagar B. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Nawale, Laxman U. and Sarkar, Dhiman} } @article { ISI:000373492800012, title = {Synthesis and properties of poly(arylene ether)s based on 3-pentadecyl 4,4{\textquoteright}-biphenol}, journal = {Polymer International}, volume = {65}, number = {5}, year = {2016}, month = {MAY}, pages = {567-576}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
A new biphenol, 3-pentadecyl 4,4-biphenol, was synthesized starting from 3-pentadecylphenol and was polycondensed with 4,4-difluorobenzophenone, 1,3-bis(4-fluorobenzoyl)benzene and bis(4-fluorophenyl)sulfone to obtain poly(arylene ether)s with biphenylene linkages in the backbone and pendent pentadecyl chains. Inherent viscosities and number-average molecular weights (M-n) of the poly(arylene ether)s were in the range 0.50 - 0.81 dL g(-1) and 2.2 x 10(4) - 8.3 x 10(4), respectively. Detailed NMR spectroscopic studies of the poly(arylene ether)s indicated the presence of constitutional isomerism which existed because of the non-symmetrical structure of 3-pentadecyl 4,4-biphenol. The poly(arylene ether)s readily dissolved in common organic solvents such as dichloromethane, chloroform and tetrahydrofuran and could be cast into tough, transparent and flexible films from their chloroform solutions. The poly(arylene ether)s exhibited T-g values in the range 35-60 degrees C which are lower than that of reference poly(arylene ether)s without pentadecyl chains. The 10\% decomposition temperatures (T-10) of the poly(arylene ether)s were in the range 410-455 degrees C indicating their good thermal stability. A gas permeation study of poly(ether sulfone) containing pendent pentadecyl chains revealed a moderate increase in permeability for helium, hydrogen and oxygen. However, there was a large increase in permeability for carbon dioxide which could be attributed to the internal plasticization effect of pendent pentadecyl chains. (c) 2016 Society of Chemical Industry
}, keywords = {cashew nut shell liquid (CNSL), gas permeation study, pentadecyl, poly(arylene ether)s, thermal stability}, issn = {0959-8103}, doi = {10.1002/pi.5095}, author = {Tawade, Bhausaheb V. and Shaligram, Sayali V. and Valsange, Nitin G. and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article { ISI:000369679500020, title = {Synthesis and self-assembly of dumbbell shaped ZnO sub-micron structures using low temperature chemical bath deposition technique}, journal = {Materials Chemistry and Physics}, volume = {169}, year = {2016}, month = {FEB}, pages = {152-157}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
We report well dispersed horizontal growth of ZnO sub-micron structures using simplest technique ever known i.e. chemical bath deposition (CBD). A set of samples were prepared under two different cases A) dumbbell shaped ZnO grown in CBD bath and B) tubular ZnO structures evolved from dumbbell shaped structures by dissolution mechanism. Single phase wurtzite ZnO formation is confirmed using X-ray diffraction (XRD) technique in both cases. From the morphological investigations performed using scanning electron microscopy (SEM), sample prepared under case A indicate formation of hex bit tool (HBT) shaped ZnO crystals, which observed to self-organize to form dumbbell structures. Further these microstructures are then converted into tubular structures as a fragment of post CBD process. The possible mechanism responsible for the self-assembly of HBT units to form dumbbell structures is discussed. Observed free excitonic peak located at 370 nm in photoluminescence (PL) spectra recorded at 18 K indicate that the micro/nanostructures synthesized using CBD are of high optical quality. (C) 2015 Elsevier B.V. All rights reserved.
}, keywords = {Electron microscopy (STEM, Microstructure, Nanostructures, Optical properties, Photoluminescence spectroscopy, Raman spectroscopy and scattering, TEM and SEM)}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2015.11.042}, author = {Borade, P. and Joshi, K. U. and Gokarna, A. and Lerondel, G. and Walke, P. and Late, Dattatray J. and Jejurikar, S. M.} } @article {43636, title = {Synthesis and structural characterization of twin liquid crystalline perylenebisimides}, journal = {New Journal of Chemistry}, volume = {40}, year = {2016}, month = {AUG}, pages = {8471-8478}, abstract = {A series of twin perylenebisimide (PBI) molecules were synthesized and characterized having the structure PBI-(methylene spacer)-n-PBI where the length of the central polymethylene spacer segment was varied from n = 1 to 12. The PBI unit was imidized with an ethyl hexyl branched alkyl segment at the terminal and pentadecyl phenol at the other end which was linked through the polymethylene spacer to form the twin molecules. The differential packing afforded by the odd and even spacer central methylene segments resulted in an odd-even oscillation of the melting transitions as well as their enthalpies with higher values observed for the even twins. The odd-even oscillation was quite prominent for the spacers up to n < 7 after which it tapered off. PBI-T1 and PBI-T3 exhibited tendencies to form smectic liquid crystalline (LC) phases while most of the higher membered twin molecules exhibited tendencies for high temperature nematic phases. The ability to control the crystalline or mesogenic nature of the PBI molecules, which constitute an important member of the n type rylenebisimide family that finds application as electron transporters in field effect transistors (FETs) and organic solar cells, is promising as it provides a handle to design systems whose bulk packing is pre-defined to suit the requirements of the application.}, doi = {10.1039/c6nj00524a}, author = {Prajitha, K. P. and Asha, S. K.} } @article {43621, title = {Synthesis and study of calixarene-doped polypyrrole-TiO2/ZnO composites: antimicrobial activity and electrochemical sensors}, journal = {Journal of Polymer Research}, volume = {23}, year = {2016}, month = {JAN}, abstract = {The present communication describes the synthesis of an electroactive nanocomposite of calixarene- doped polypyrrole ( PPY) containing an oxide of Ti/ Zn. The additive TiO2/ ZnO serves as an oxidizing agent for the polymerization, thus avoiding the use of hazardous organic solvents while calixarene doping stabilizes the polymer. The materials synthesized herein were characterized by UV- visible spectroscopy, FT- IR spectroscopy, scanning electron microscopy ( SEM), transmission electron microscopy ( TEM), energy- dispersive X- ray spectroscopy ( EDX), X- ray photoelectron spectroscopy ( XPS), and cyclic voltammetry ( CV) of synthesized nanocomposites. It was revealed that the resulting calixarene- doped polypyrrole- TiO2/ ZnO nanocomposite has ( 1) long- time stability, ( 2) significant electrochemical activity for sensing formaldehyde, and ( 3) good antimicrobial activity.}, doi = {10.1007/s10965-016-0921-9}, author = {Waghmode, Babasaheb J. and Husain, Zahid and Joshi, Meenal and Sathaye, Shivaram D. and Patil, Kashinath R. and Malkhede, Dipalee D.} } @article { ISI:000368533200012, title = {Synthesis and tyrosinase inhibition activity of trans-stilbene derivatives}, journal = {Bioorganic Chemistry}, volume = {64}, year = {2016}, month = {FEB}, pages = {97-102}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {
Synthesis of a focussed library of trans-stilbene compounds through Wittig and other base catalysed condensation reactions is presented. The synthesized stilbenes were screened for their inhibitory potential against murine tyrosinase activity to explore the structure activity relationship (SAR). Presence of electron withdrawing group (-CN) at the double bond and hydroxyl group or halogen atom especially at para-position on the aromatic rings was found to significantly elevate the inhibitory activity. Among all the compounds screened, compounds 2, 6, 8, 10, 11, 15 and 21 were found to exhibit appreciable inhibitory activity. Compound 21 ((E)-2,3-bis(4-Hydroxyphenyl) acryonitrile) was found to be the most active with an IC50 value of 5.06 mu M which is less than half of the value 10.78 mu M observed for resveratrol (common standard used in murine tyrosinase activity studies) under similar conditions. The results obtained from the present study reveal structural/functional group sensitivity for the tyrosinase inhibitory activity of stilbenoid moieties and are expected to be very helpful for the design and synthesis of novel, selective and effective tyrosinase inhibitors. (C) 2016 Elsevier Inc. All rights reserved.
}, keywords = {Electron withdrawing groups, Murine tyrosinase activity, Resveratrol, Stilbenoids, Tyrosinase inhibitors, Wittig reaction}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2016.01.001}, author = {Ismail, Tabasum and Shafi, Syed and Srinivas, Jada and Sarkar, Dhiman and Qurishi, Yasrib and Khazir, Jabeena and Alam, Mohammad Sarwar and Kumar, Halmuthur Mahabalarao Sampath} } @article { ISI:000371304100018, title = {Synthesis, biological evaluation and molecular docking of novel coumarin incorporated triazoles as antitubercular, antioxidant and antimicrobial agents}, journal = {Medicinal Chemistry Research}, volume = {25}, number = {4}, year = {2016}, month = {APR}, pages = {790-804}, publisher = {SPRINGER BIRKHAUSER}, address = {233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USA}, abstract = {
A series of new coumarin-based 1,2,3-triazole derivatives were designed, synthesized and evaluated for their antitubercular activity in vitro against Mycobacterium tuberculosis H37Ra, antioxidant activity by DPPH radical scavenging assay, antimicrobial activity in vitro against three gram-positive bacteria (Staphylococcus aureus, Micrococcus luteus and Bacillus cereus) and three gram-negative bacteria (Escherichia coli, Pseudomonas fluorescens and Flavobacterium devorans as well as three fungi (Aspergillus niger, Penicillium chrysogenum and Curvularia lunata). The bioactive assay showed that some synthesized coumarin triazoles displayed comparable or even better antitubercular, antioxidant, antibacterial and antifungal efficacy in comparison with reference drugs. Furthermore, docking study has been performed against DprE1 enzyme of M. tuberculosis that showed good binding interactions. Moreover, the synthesized compounds were also analyzed for ADME properties and showed potential to build up as good oral drug candidates. New coumarin-based 1,2,3-triazole derivatives were designed, synthesized and evaluated for their antitubercular, antioxidant, antibacterial and antifungal activity. Some of the coumarin-based triazole derivatives displayed comparable or even better efficacy in comparison with reference drugs. Molecular docking study has been performed against DprE1 enzyme of Mycobacterium tuberculosis showed good binding interactions. [GRAPHICS] .
}, keywords = {1, 2, 3-Triazole, ADME prediction, Antimicrobial, Antioxidant, Antitubercular, Click chemistry, Docking study}, issn = {1054-2523}, doi = {10.1007/s00044-016-1519-9}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Shingate, Bapurao B. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Khedkar, Vijay M. and Nawale, Laxman and Sarkar, Dhiman and Navale, Govinda R. and Shinde, Sandip S.} } @article { ISI:000372031300074, title = {Synthesis, biological evaluation and molecular docking studies of N-acylheteroaryl hydrazone derivatives as antioxidant and anti-inflammatory agents}, journal = {Research on Chemical Intermediates}, volume = {42}, number = {3}, year = {2016}, month = {MAR}, pages = {2707-2729}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {
In search of new therapeutics with greater potency, three new series of 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide derivatives have been synthesized and evaluated for their in vitro antioxidant and anti-inflammatory activities. The hydrazones bearing a core pyrazole, chromone and tetrazolo[1,5-a]quinoline scaffold showed promising activities. Interestingly, compounds 3a (EC50 = 06.00 +/- A 2.36) and 5c (EC50 = 07.21 +/- A 0.67) showed the most potent antioxidant activity, while compounds 3a (EC50 = 10.25 +/- A 1.08), 7b (EC50 = 10.50 +/- A 0.99) and 7c (EC50 = 11.18 +/- A 0.15) showed significant anti-inflammatory activity. Furthermore, molecular docking studies also revealed a significant correlation between the binding score and biological activity for these compounds to describe the molecular basis for the structure activity relationship (SAR) results. As these compounds are good cyclooxygenase inhibitors, isoenzyme inhibitory potency studies are warranted.
}, keywords = {Anti-inflammatory, Antioxidant, Docking study, N-Acylhydrazones, Structure-activity relationship}, issn = {0922-6168}, doi = {10.1007/s11164-015-2176-1}, author = {Mahajan, Pravin S. and Nikam, Mukesh D. and Khedkar, Vijay M. and Jha, Prakash C. and Sarkar, Dhiman and Gill, Charansingh H.} } @article { ISI:000371344600027, title = {Synthesis, biological evaluation and molecular docking study of some novel indole and pyridine based 1,3,4-oxadiazole derivatives as potential antitubercular agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {7}, year = {2016}, month = {APR }, pages = {1776-1783}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A series of indole and pyridine based 1,3,4-oxadiazole derivatives 5a-t were synthesized and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG both in active and dormant state. Compounds 5b, 5e, 5g and 5q exhibited very good antitubercular activity. All the newly synthesized compounds 5a-t were further evaluated for antiproliferative activity against HeLa, A549 and PANC-1 cell lines using modified MTT assay and found to be noncytotoxic. On the basis of cytotoxicity and MIC values against Mycobacterium bovis BCG, selectivity index (SI) of most active compounds 5b, 5e, 5g and 5q was calculated (SI = GI(50)/MIC) in active and dormant state. Compounds 5b, 5e and 5g demonstrated SI values \>= 10 against all three cell lines and were found to safe for advance screening. Compounds 5a-t were further screened for their antibacterial activity against four bacteria strains to assess their selectivity towards MTB. In addition, the molecular docking studies revealed the binding modes of these compounds in active site of enoyl reductase (InhA), which in turn helped to establish a structural basis of inhibition of mycobacteria. The potency, low cytotoxicity and selectivity of these compounds make them valid lead compounds for further optimization. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {1, 3, 4-Oxadiazole, Antitubercular activity, Cytotoxicity, Indole, Molecular docking, Pyridine}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.02.043}, author = {Desai, N. C. and Somani, Hardik and Trivedi, Amit and Bhatt, Kandarp and Nawale, Laxman and Khedkar, Vijay M. and Jha, Prakash C. and Sarkar, Dhiman} } @article { ISI:000371304100013, title = {Synthesis, biological valuation, and QSAR studies of novel pyrazole bearing pyridyl oxadiazole analogues as potential antimicrobial agents}, journal = {Medicinal Chemistry Research}, volume = {25}, number = {4}, year = {2016}, month = {APR}, pages = {712-727}, publisher = {SPRINGER BIRKHAUSER}, address = {233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USA}, abstract = {
A new series of 1-(2-(3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-(pyridin-4-yl)-1,3,4 -oxadiazol-3(2H)-yl)-3-(aryl)prop-2-en-1-ones (5a-l) were synthesized by a simple and efficient synthetic protocol. The newly synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR and Mass spectroscopy. The resulting structural diversity was screened for its antimicrobial activity the following bacterial and fungal strains: two Gram-positive bacteria [Staphylococcus aureus (MTCC-96), Streptococcus pyogenes (MTCC-442)], two Gram-negative bacteria [Escherichia coli (MTCC-443), Pseudomonas aeruginosa (MTCC-1688)] and three fungal species (C. albicans, A. niger and A. clavatus). Following this, in vitro cytotoxicity activity against HeLa cell lines was measured by MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide] assay. The observations derived from the diverse assays were utilized for building classification models based on a binary QSAR approach termed recursive partitioning (RP) analysis to probe the physic-chemical properties influencing the SAR for molecules. The decision tree derived from RP analysis could highlight structural characteristics that discriminate the actives from inactives which can serve as guide to design molecules with improved potency. In silico ADME predictions were performed to gauge their pharmacokinetic, safety and drug likeness profile.
}, keywords = {1, 3, 4-Oxadiazole, Antimicrobial activity, Cytotoxicity, Pyrazole, Pyridine, QSAR}, issn = {1054-2523}, doi = {10.1007/s00044-016-1511-4}, author = {Desai, N. C. and Kotadiya, G. M. and Trivedi, A. R. and Khedkar, Vijay M. and Jha, Prakash C.} } @article { ISI:000373619000021, title = {Synthesis, microstructure, optical and field emission studies of iron vanadium oxide nanosheets}, journal = {Journal of Physics D-Applied Physics}, volume = {49}, number = {14}, year = {2016}, month = {APR}, pages = {145301}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {
We report a single step growth of thin graphene-like, densely packed FeV3O8 (FVO) nanosheets on silicon substrates via facile hydrothermal synthesis. These nanosheets have dimensions of a few microns with thin edges, offering very high aspect ratio. These FVO nanosheets exhibit excellent field emission behaviour with low turn on and threshold voltages of 1.3 V mu m(-1) and 1.7 V mu m(-1), respectively. The corresponding emitter delivers high emission current density of (similar to 1.650 mA cm(-2)) at fairly low applied field (similar to 4.00 V mu m(-1)).
}, keywords = {FeV3O8, field emission, nanosheets}, issn = {0022-3727}, doi = {10.1088/0022-3727/49/14/145301}, author = {Badadhe, Satish S. and Suryawanshi, Sachin R. and Naphade, Rounak A. and Chaudhary, Minakshi V. and More, Mahendra A. and Shelke, Manjusha V. and Ogale, Satishchandra B.} } @article { ISI:000379253100009, title = {Synthesis of 2-phenoxy-2-phenylethyl acrylate and copolymerization with 2-phenylethyl acrylate: estimation of monomer reactivity ratios, thermal and optical properties}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {53}, number = {7}, year = {2016}, month = {MAY}, pages = {457-464}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
A new aromatic based monomer 2-phenoxy-2-phenylethyl acrylate (PPEA) was synthesized. Copolymers of PPEA with 2-phenylethyl acrylate (PEA) were prepared by free radical polymerization. The reactivity ratios were estimated using various graphical methods. Structural parameters of the copolymers were obtained by calculating the dyad monomer sequence fractions and the mean sequence length. Optical properties of polymers such as refractive indices and UV-Visible absorption were investigated. The glass transition temperature and thermal degradation behavior of the copolymers were studied. Combined with the RI, transparency and thermal properties, prepared copolymers hold great promise as materials for intraocular lens applications.
}, keywords = {2-Phenoxy-2-phenylethyl acrylate, 2-phenylethyl acrylate, copolymerization, Optical properties, reactivity ratios, Thermal properties}, issn = {1060-1325}, doi = {10.1080/10601325.2016.1176447}, author = {Ghorpade, Ravindra V. and Ponrathnam, Surendra and Chavan, Nayaku} } @article {42431, title = {Synthesis of 4H-chromenes by an unexpected, K3PO4-mediated intramolecular rauhut{\textendash}currier type reaction}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, year = {2016}, month = {APR}, pages = {5612-5616}, abstract = {
In an attempt to develop the umpolung of Michael acceptors using chalcones having an enoate moiety under N-heterocyclic carbene (NHC) catalysis, a K3PO4-mediated intramolecular Rauhut{\textendash}Currier type reaction was observed. This C(sp2){\textendash}C(sp2) coupling reaction afforded the biologically important 4H-chromenes in moderate to good yields. It is likely that the enol ether functionality acts as the nucleophilic trigger in this reaction.
}, doi = {10.1039/C6OB00654J}, author = {Bhunia, Anup and Yetra, Santhivardhana Reddy and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {45830, title = {Synthesis of Au@Ni bimetallic core shell nanoparticle and nanochains in soyabean oil and their catalytic hydrogenation reactions}, journal = {ChemistrySelect}, volume = {1}, year = {2016}, month = {FEB}, pages = {140-146}, type = {Article}, abstract = {
Synthesis of Au@Ni bimetallic core shell nanostructures using commercially available soya bean oil as the solvent through a sequential reduction strategy is reported. The energy efficiency and economic viability comes from the much milder temperatures and replacement of expensive and environmentally hazardous solvents like long chain organic amines and acids previously reported for synthesis. Thus, core shell nanoparticles having size regime of 10-15 nm with an excellent control over the nickel shell thickness (2 nm) over the gold core (8-10 nm) and Au@Ni nanochains is achieved. The synthesized materials are demonstrated to synergistically catalyze hydrogenation of nitro and C-C multiple bonds with much better efficiency as compared to individual nanoparticle counterparts.
}, keywords = {Bimetallic nanoparticles, Gold catalysis, hydrogenation reactions, synergistic effects}, issn = {2365-6549}, doi = {10.1002/slct.201500006}, author = {Bharathan, Vysakh A. and Yadukiran, V. and Lazar, Anish and Singh, Anand. P. and Vinod, Chathakudath P.} } @article {45875, title = {Synthesis of fuel intermediates from HMF/fructose}, journal = {Catalysis Letters}, volume = {146}, year = {2016}, month = {OCT}, pages = {1984-1990}, type = {Article}, abstract = {Alkylation of toluene, anisole and mesitylene with HMF and fructose is reported using Glu{\textendash}Fe3O4{\textendash}SO3H solid acid catalyst. HMF was found to alkylate toluene, anisole and mesitylene in high yields and high selectivity under solvent free conditions. Polyalkylation and self etherification of HMF was not observed. The alkylated product on hydrodeoxygenation forms liquid alkanes of different chain lengths which have properties of transportation fuels or diesel fuels. The catalyst was easily recoverable and reusable minimum 5 times to achieve good yields and high selectivity of alkylated product.}, doi = {10.1007/s10562-016-1836-0}, author = {Nale, S. D. and Jadhav, V. H. and } } @article {43167, title = {Synthesis of functionalized 6-hydroxy-2-oxindole derivatives by phenoxide cyclization}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {DEC}, pages = {6264-6267}, abstract = {An apparent intramolecular cross-dehydrogenative coupling of N-(3-hydrox)monoanilide of maleic esters comprising base promoted phenoxide cyclization and subsequent base-mediated aerobic oxidation was developed to synthesize a variety of 2-(6-hydroxy-2-oxoindolin-3-ylidene)-acetate derivatives. The isolation of intermediate cyclized products during the large scale reactions and their ready dehydrogenation with 1 equiv of base support this proposed two-step path.}, author = {Reddy, B. Narendraprasad and Ramana, Chepuri V.} } @article { ISI:000379431000015, title = {Synthesis of functionalized amino epoxides by a three-component coupling involving aziridines, arynes and aldehydes}, journal = {Chemical Communications}, volume = {52}, number = {58}, year = {2016}, month = {JAN}, pages = {9044-9047}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A transition-metal-free three-component coupling involving N-substituted aziridines, arynes and aldehydes resulting in the formation of trisubstituted N-aryl alpha-amino epoxides has been demonstrated. The reaction likely proceeds via the highly strained cyclic nitrogen ylide intermediates generated from aziridines and arynes.
}, issn = {1359-7345}, doi = {10.1039/c6cc00057f}, author = {Roy, Tony and Thangaraj, Manikandan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000373440600012, title = {Synthesis of new hybrid sorbent 2-mercaptobenzaldehyde SBA-15 and its application in solid phase extraction of Cd(II) from water and food samples}, journal = {Analytical Methods}, volume = {8}, number = {14}, year = {2016}, month = {MAR}, pages = {2947-2954}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
In this paper, a new mesoporous hybrid material was fabricated by anchoring 2-mercaptobenzaldehyde (2MB) onto the surface of SBA-15. The adsorbent (2MB-SBA-15) was characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), nitrogen adsorption-desorption isotherm measurements and thermogravimetric analysis (TGA) and applied as a sorbent in the preconcentration of Cd(II) in water samples and food samples. The effect of various analytical parameters such as pH, dose of sorbent, amount of eluent, sample flow rate and interfering ions was investigated. The preconcentration capacity of the prepared material under optimized conditions for Cd(II) was 0.94 +/- 0.01 mmol g(-1). The Cd collected onto the sorbent was eluted out with 10 mL of 1 M HNO3 and determined by AAS. The LOD, LOQ and preconcentration factor of the present method were found to be 6.93 x 10(-6), 1.21 x 10(-5) mM and 100, respectively. The relative standard deviation for four preconcentration experiments was found to be \<= 5\%.
}, issn = {1759-9660}, doi = {10.1039/c5ay03031e}, author = {Sreenu, B. and Imran, K. and Seshaiah, K. and Sharma, Priti and Singh, A. P.} } @article {43628, title = {Synthesis of Ni-doped ZnO nanostructures by low-temperature wet chemical method and their enhanced field emission properties}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {OCT}, pages = {104318-104324}, abstract = {In this study, we report an enhancement in the field emission (FE) properties of ZnO nanostructures obtained by doping with Ni at a base pressure of similar to 1 x 10(-8) mbar, which were grown by a simple wet chemical process. The ZnO nanostructures exhibited a single-crystalline wurtzite structure up to a Ni doping level of 10\%. FESEM showed a change in the morphology of the nanostructures from thick nanoneedles to nanoflakes via thin nanorods with an increase in the Ni doping level in ZnO. The turn-on field required to generate a field emission (FE) current density of 1 mu A cm(-2) was found to be 2.5, 2.3, 1.8 and 1.7 V mu mcm(-2) for ZnO (Ni0\%), ZnO (Ni5\%), ZnO (Ni7.5\%) and ZnO (Ni10\%), respectively. A maximum current density of similar to 872 mu A cm(-2) was achievable, which was generated at an applied field of 3.1 V mu m cm(-2) for a Ni doping level of 10\% in ZnO. Long-term operational current stability was recorded at a preset value of 5 mA for a duration of 3 h and was found to be very high. The experimental results indicate that Ni-doped ZnO-based field emitters can open up many opportunities for their potential use as an electron source in flat panel displays, transmission electron microscopy, and the generation of X-rays. Thus, the simple low-temperature (similar to 80 degrees C) wet chemical synthesis approach and the robust nature of the ZnO nanostructure field emitter can provide prospects for the future development of cost-effective electron sources.}, doi = {10.1039/c6ra21190a}, author = {Rana, Amit Kumar and Bankar, Prashant and Kumar, Yogendra and More, Mahendra A. and Late, Dattatray J. and Shirage, Parasharam M.} } @article { ISI:000374810700032, title = {Synthesis of novel Cu2S nanohusks as high performance counter electrode for CdS/CdSe sensitized solar cell}, journal = {Journal of Power Sources}, volume = {315}, year = {2016}, month = {MAY}, pages = {277-283}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
An important component of quantum dot sensitized solar cells (QDSSC) is the counter electrode which mediates the regeneration of oxidized quantum dots by reducing the polysulphide electrolyte. However, design and synthesis of an efficient counter electrode material is a challenging task. Herein, we report the synthesis of a unique Cu2S nanohusks directly on FTO coated glass substrates by electrodeposition and used as a counter electrode in QDSSC. When these electrodes are used for the reduction of polysulfide electrolyte in QDSSC, they exhibit higher catalytic activity and photovoltaic performance as compared to the Platinum counter electrode. The power conversion efficiency of about 4.68\% has been achieved by optimizing the deposition time of Cu2S. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {counter electrode, Cu2S electrodeposition, Cu2S nanohusks, Quantum dot-sensitized solar cell}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2016.03.027}, author = {Kamaja, Chaitanya Krishna and Devarapalli, Rami Reddy and Dave, Yasha and Debgupta, Joyashish and Shelke, Manjusha V.} } @article {43372, title = {Synthesis of ophiocerins A, B and C, botryolide E, decarestrictine O, stagonolide C and 9-epi-stagonolide C employing chiral hexane-1,2,3,5-tetraol derivatives as building blocks}, journal = {European Journal of Organic Chemistry}, volume = {27}, year = {2016}, month = {SEP}, pages = {4696-4710}, abstract = {An organocatalytic approach to the synthesis of (2R,3S)-hexane-1,2,3,5-tetraol (11) derivatives (in the forms of different stereoisomers and bearing different protecting groups) has been developed. The key chiral intermediates 11 were prepared with complete stereocontrol through the proline-catalyzed intermolecular aldol reaction between acetone and d-glyceraldehyde acetonide. The synthetic utility of the intermediates was demonstrated by their transformation into the title hydroxylated pyrans and a variety of unsaturated lactones through standard synthetic protocols.}, doi = {10.1002/ejoc.201600625}, author = {Show, Krishanu and Kumar, Pradeep} } @article {42572, title = {Synthesis of (-)-phaitanthrin D and (+)-dihydropyrroloindoloquinazolinone}, journal = {Synthesis-Stuttgart}, volume = {48}, year = {2016}, month = {SEP}, pages = {2896-2903}, abstract = {
The synthesis of (-)-phaitanthrin D and (+)-dihydropyrroloindoloquinazolinone are reported starting from the corresponding especially designed enantiomerically pure pivotal anthranilamide based building blocks using HMDS/ZnCl2 and NaHMDS.
}, doi = {10.1055/s-0035-1562098}, author = {Vaidya, Sagar D. and N. P. Argade} } @article {43417, title = {Synthesis of polyhydroxylated conidine alkaloid as a conformationally restricted azasugar}, journal = {Synlett}, volume = {27}, year = {2016}, month = {DEC}, pages = {2799-2802}, abstract = {A conformationally restricted polyhydroxylated 1-azabicyclo[4.2.0]octane core has been synthesized in search for a potent selective glycosidase inhibitor. The key feature of the synthesis involves the high stereoselective photoelectron-transfer-promoted cyclization of the strained alpha-trimethylsilylmethylazetidine moiety to the tethered pi functionality.}, doi = {10.1055/s-0036-1588312}, author = {Pal, Sujit and Dumbre, Shrinivas G.} } @article {42735, title = {Synthesis of quinoline-based NNN-pincer nickel(II) complexes: a robust and improved catalyst system for C{\textendash}H bond alkylation of azoles with alkyl halides}, journal = {Organometallics}, volume = {35}, year = {2016}, month = {MAY}, pages = {1785{\textendash}1793}, abstract = {
The quinoline-based pincer nickel(II) complexes κN,κN,κN-{R2N-C6H4-(μ-N)-C9H6N}NiX ((R2NNNQ)NiCl: R = Me, 2a; R = Et, 2b) were synthesized by the reaction of the ligand precursors (R2NNNQ)H (R = Me, 1a; R = Et, 1b) with (DME)NiCl2 in the presence of Et3N. Similarly, the pincer nickel(II) derivatives (R2NNNQ)NiX (R = Me, X = Br, 3a; R = Et, X = Br, 3b; R = Me, X = OAc, 4a) were obtained by treatment of the ligands (R2NNNQ)H with the nickel precursor (THF)2NiBr2 or Ni(OAc)2. All of these complexes were characterized by 1H and 13C NMR spectroscopy as well as by elemental analysis. Further, the molecular structures of 2a and 3a,b were elucidated by X-ray crystallography. Complex 2a is found to be an efficient catalyst for the direct C{\textendash}H bond alkylation of substituted benzothiazoles and oxazoles with various unactivated alkyl halides containing β-hydrogens under mild reaction conditions. The catalyst 2a is very robust and was recycled and reused five times for the alkylation reaction without a decrease in its catalytic activity. Preliminary studies reveal that the catalyst 2a acts as an active catalyst and the alkylation reaction appears to operate via a radical pathway.
}, doi = {10.1021/acs.organomet.6b00201}, author = {Patel, Ulhas N. and Pandey, Dilip K. and Gonnade, Rajesh G. and Punji, Benudhar} } @article { ISI:000380018700009, title = {Synthesis of renewable copolyacetals with tunable degradation}, journal = {Macromolecular Chemistry and Physics}, volume = {217}, number = {12}, year = {2016}, month = {JUN}, pages = {1396-1410}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Acetal metathesis copolymerization (AMCP) of renewable isohexide diacetals and aliphatic long-chain diacetals is reported and access to a small family of copolyacetals has been established. Crucial 1-2D NMR and MALDI-ToF-MS findings unambiguously confirm the existence of a copolymeric structure. In a stark contrast to the earlier reported isohexide-polyacetals, the current copolyacetals reveal very slow degradation. Hydrolytic degradation of copolyacetal pellets is extremely slow at pH 7, whereas only 30\% degradation over a period of 15 d is observed in 9 M hydrochloric acid solution. GPC investigations reveal that with increasing chain-length the rate of degradation reduces, whereas copolyacetals with short-chain aliphatic segments display a faster degradation profile. The reduced rate of degradation can be attributed to the hydrophobic nature of long-chain acetal segments. In situ NMR spectroscopy reveals the existence of formates, hemiacetals, and diols as degradation products. Thus, the rate of degradation can be tuned by the judicious choice of isohexide-diacetal and linear-diacetals in a copolyacetal.
}, keywords = {copolyacetals, degradable polymers, diacetals, isohexides, renewable polymers}, issn = {1022-1352}, doi = {10.1002/macp.201600071}, author = {Rajput, Bhausaheb S. and Chander, Umesh and Arole, Kailash and Stempfle, Florian and Menon, Shamal K. and Mecking, Stefan and Chikkali, Samir H.} } @article { ISI:000377612300008, title = {Synthesis of revised structure of klaivanolide (acetylmelodorinol)}, journal = {Arkivoc}, number = {2}, year = {2016}, month = {OCT}, pages = {116-122}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {
Klaivanolide (acetylmelodorinol) is an anti-leishmanial/anti-trypanosomal agent isolated from Uvaria klaineana and the structure was originally assigned as a 7-membered lactone with extended conjugation and S-configuration at the lactone junction. Very recently, the structure of klaivanolide was revised as previously known compound acetylmelodorinol. Now, we have synthesized the revised structure in racemic form using a short route.
}, keywords = {acetylmelodorinol, Klaivanolide, leishmaniasis, Natural product}, issn = {1551-7004}, doi = {10.3998/ark.5550190.p009.231}, author = {Raut, Gajanan N. and Wagh, Sachin B. and Reddy, D. Srinivasa} } @inbook {43050, title = {Synthesis of silicon(II) compounds and their reactions}, booktitle = {Efficient methods for preparing silicon compounds}, year = {2016}, pages = {233-242}, publisher = {Academic Press, Elsevier}, organization = {Academic Press, Elsevier}, chapter = {18}, address = {Netherland}, author = {Sen, Sakya S. and Roesky, Herbert W.} } @article { ISI:000372156200013, title = {Synthesis of Sn-containing anatase (TiO2) by sol-gel method and their performance in catalytic water splitting under visible light as a function of tin content}, journal = {Materials Letters}, volume = {171}, year = {2016}, month = {MAY}, pages = {50-54}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {
Sol-gel route was employed to prepare a series of Sn-containing anatase with different molar (Ti/Sn) ratios ranging from 49 to 1. Samples were characterized by powder XRD, UV-vis, XPS, SEM, EDAX, low temperature N-2 sorption technique and Raman Spectroscopy. Except anatase phase, no other crystalline phase was observed when Ti/Sn molar ratio was varied from 49 to 9 and for Sn free sample. However, further decrease in the ratio lead to the appearance of additional SnO2 phase whose peak intensities were increased with the increase in the tin content. Irrespective of tin content, all samples showed red-shift in UV-vis spectra. Moreover, samples showed Raman shift to higher vibration side from 143 cm(-1) to 147 cm(-1) indicating the doping of Sn2+ into TiO2. By virtue of low band gap, anatase crystallite size and an absence of XRD visible SnO2, ST (19) has shown maximum photocatalytic activity upon 1 wt\% Pt loading. It has exhibited the highest rate (0.1264 mmole/g/h) for visible light induced hydrogen evolution by water splitting. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Semiconductors, Sn2+ doped titania, SnO2/TiO2, Sol-gel preparation, visible light, water splitting}, issn = {0167-577X}, doi = {10.1016/j.matlet.2016.02.055}, author = {Tangale, N. P. and Niphadkar, P. S. and Samuel, V. and Deshpande, Suvarna S. and Joshi, P. N. and Awate, S. V.} } @article {43435, title = {Synthesis of (+/-)-thia-calanolide A, its resolution and in vitro biological evaluation}, journal = {Arabian Journal of Chemistry}, volume = {9}, year = {2016}, month = {NOV}, pages = {S1597-S1602}, abstract = {A synthesis of (+/-)-thia-calanolide A 3 has been successfully accomplished starting from 3,5-dimethoxythiophenol 4, in six steps in an overall yield of 4.5\%. The key reaction involved Friedel-Crafts tigloylation of 5,7-dihydroxy-4-n-propyl thiocoumarin 6 employing an appropriate solvent of CS2-PhNO2 in a ratio of 7:3. In its biological evaluation for anti-HIV activity, (+/-)-thia-calanolide A 3 demonstrated comparatively less activity with calanolide A and its synthetic analogue aza-calanolide. Further, (+/-)-3 has been resolved by chiral HPLC to (+) and (-)-3. (C) 2012 Production and hosting by Elsevier B.V. on behalf of King Saud University.}, doi = {10.1016/j.arabjc.2012.04.027}, author = {Chopade, Anil U. and Chopade, Manojkumar U. and Chanda, Bhanu M. and Sawaikar, Dilip D. and Sonawane, Kiran B. and Gurjar, Mukund K.} } @article {45876, title = {Synthesis of tyrosyl-DNA phosphodiesterase i inhibitors}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {JUN}, pages = {2652-2654}, type = {Article}, abstract = {The first report for the synthesis of tyrosyl-DNA phosphodiesterase I inhibitors 3,4-dimethoxyphenol-1-β-d-(6'-O-galloyl)glucopyranoside 3 and 3-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol 2-β-d-(6'-O-galloyl) glucopyranoside 5 has been accomplished starting from readily available d-glucose as a starting material. An efficient and general approach has been reported for the synthesis of compounds 3 and 5 with an overall yield of 26\% and 27\%, respectively.}, doi = {10.1016/j.tetlet.2016.05.017}, author = {Nale, S. D. and Jadhav, V. H.} } @article { ISI:000380968200060, title = {Syringic acid: structural elucidation and co-crystallization}, journal = {Crystal Growth \& Design}, volume = {16}, number = {8}, year = {2016}, month = {AUG}, pages = {4679-4687}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Syringic acid (SYRA) is a potential antioxidant used in traditional Chinese medicine and is an emerging nutraceutical. Current reports claim its potential anti-angiogenic, anti-glycating, anti-hyperglycaemic, neuroprotective, and memory-enhancing properties in various animal models. To date, SYRA crystal structure has not been elucidated, and no crystal engineering studies have been reported. This study reports the crystal structure of SYRA for the first time along with its nicotinamide (SNCT-E) and urea (SU-EA-M) co-crystals. All forms were successfully characterized using single crystal X-ray diffraction (XRD), powder XRD, and differential scanning calorimetry. Single crystal analysis revealed that SYRA crystallized in the C2/c space group, whereas SNCT-E (2:1) and SU-EA-M (1:2) crystallized in the P21/n and Cmca space group, respectively. Novel co-crystals have shown improved solubility, modified dissolution profiles, and improved flow and compressibility. Cytotoxic effects were explored in DU145 prostate cancer cell lines for the first time, and significant enhancement in cytotoxicity by the co-crystals was observed compared to plain components. A two-fold increase in \% cytotoxicity of SNCT-E was observed when compared to the corresponding physical mixture. These studies shed light on potential utility of SYRA as a coformer for various pharmaceutical applications to design synergistic and organ-protective co-crystals.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.6b00750}, author = {Thipparaboina, Rajesh and Mittapalli, Sudhir and Thatikonda, Sowjanya and Nangia, Ashwini and Naidu, V. G. M. and Shastri, Nalini R.} } @article {43406, title = {Systematic evaluation of biophysical and functional characteristics of selenomethylene-locked nucleic acid-mediated inhibition of miR-21}, journal = {Biochemistry}, volume = {55}, year = {2016}, month = {DEC}, pages = {7023-7032}, abstract = {miRNAs constitute an important layer of gene regulation mediated by sequence-specific targeting of mRNAs. Aberrant expression of miRNAs contributes to a host of pathological states. Promoting cancer, miR-21 is upregulated in variety of cancers and promotes tumor progresion by suppressing a network of tumor suppressor genes. Here we describe a novel class of bicyclic RNA analogues, selenomethylene-locked nucleic acid (SeLNA), that display high affinity, improved metabolic stability, and increased potency for miR-21 inhibition. The thermal stability (T-m) for duplexes was increased significantly with incorporation of SeLNA monomers as compared to that of the unmodified DNA RNA hybrid. A comprehensive thermodynamic profile obtained by isothermal titration calorimetry revealed a favorable increase in the enthalpy of hybridization for SeLNA containing DNA and target RNA heteroduplexes. SeLNA modifications displayed remarkable binding affinity for miR-21 target RNA with a K-a of <= 1.05 x 10(8) M-1. We also observed enhanced serum stability for SeLNA RNA duplexes with a half-life of <= 36 h. These in vitro results were well correlated with the antisense activity in cancer cells imparting up to similar to 91\% inhibition of miR-21. The functional impact of SeLNA modifications on miR-21 inhibition was further gauged by investigating the migration and invasion characterisitics of cancer cells, which were drastically reduced to similar to 49 and similar to 55\%, respectively, with SeLNA having four such modifications. Our findings demonstrate SeLNA as a promising candidate for therapeutics for disease associated miRNAs.}, doi = {10.1021/acs.biochem.6b00895}, author = {Nahar, Smita and Singh, Amrita and Morihiro, Kunihiko and Moai, Yoshihiro and Kodama, Tetsuya and Obika, Satoshi and Maiti, Souvik} } @article { ISI:000381180000001, title = {Targeted quantification of N-1-(carboxymethyl) valine and N-1-(carboxyethyl) valine peptides of beta-hemoglobin for better diagnostics in diabetes}, journal = {Clinical Proteomics}, volume = {13}, year = {2016}, month = {MAR}, pages = {Article Number: 7}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {
Background: N-1-(Deoxyfructosyl) valine (DFV) beta-hemoglobin (beta-Hb), commonly referred as HbA1c, is widely used diagnostic marker in diabetes, believed to provide glycemic status of preceding 90-120 days. However, the turnover of hemoglobin is about 120 days, the DFV-beta-Hb, an early and reversible glycation product eventually may undergo irreversible advanced glycation modifications such as carboxymethylation or carboxyethylation. Hence quantification of N-1-(carboxymethyl) valine (CMV) and N-1-(carboxyethyl) valine (CEV) peptides of beta-Hb would be useful in assessing actual glycemic status. Results: Fragment ion library for synthetically glycated peptides of hemoglobin was generated by using high resolution-accurate mass spectrometry (HR/AM). Using parallel reaction monitoring, deoxyfructosylated, carboxymethylated and carboxyethylated peptides of hemoglobin were quantified in clinical samples from healthy control, pre-diabetes, diabetes and poorly controlled diabetes. For the first time, we report N-1-beta-valine undergoes carboxyethylation and mass spectrometric quantification of CMV and CEV peptides of beta-hemoglobin. Carboxymethylation was found to be the most abundant modification of N-1-beta-valine. Both CMV-beta-Hb and CEV-beta-Hb peptides showed better correlation with severity of diabetes in terms of fasting glucose, postprandial glucose and microalbuminuria. Conclusions: This study reports carboxymethylation as a predominant modification of N-1-beta-valine of Hb, and quantification of CMV-beta-Hb and CEV-beta-Hb could be useful parameter for assessing the severity of diabetes.
}, keywords = {Diabetes, Diagnosis, Glycation, Glycemic control, HbA1c, Mass spectrometry}, issn = {1542-6416}, doi = {10.1186/s12014-016-9108-y}, author = {Jagadeeshaprasad, Mashanipalya G. and Batkulwar, Kedar B. and Meshram, Nishita N. and Tiwari, Shalbha and Korwar, Arvind M. and Unnikrishnan, Ambika G. and Kulkarni, Mahesh J.} } @book {43012, title = {Taxonomy of mycotoxigenic fungi}, year = {2016}, publisher = {Scientific Publisher}, organization = {Scientific Publisher}, abstract = {
Mycotoxins, toxic metabolites of molds elaborated during their colonization of foods and feeds, pose a threat to human and animal life. Molds are the diverse group of fungi, which grow in compatatively dry and warm environments, produce copious amount of spores and promote the elaboration of these mycotoxins. Mycotoxigenic fungi, which are unique their sporulating apparatus and exhibit wide variation in their morphology, poses a challenge in their identification. There are numerous examples of their misidentification leading to wrong conclusions. Precise information on taxonomy of these fungi is lacking. Therefore, this book fulfills the need of providing comprehensive information and keys helpful for the accurate identification of these moulds. The book also provides comprehensive account of morphology, mycotoxins produced and factors leading to the elaboration of mycotoxins. Information on their molecular detection, anamorphic and teleomorphic relationships is also included.
}, author = {Vankudoth, Koteswara Rao and Sivadevuni, Girisham and Reddy S. M.} } @article {43580, title = {Temperature dependent raman spectroscopy and sensing behavior of few layer SnSe2nanosheets}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {OCT}, pages = {5380-5387}, abstract = {Two- dimensional (2D) tin diselenide (SnSe2) nanosheets were synthesized using solvothermal route in one step and perform its humidity sensing, photo sensing and temperature dependant Raman spectroscopy studies. The sensor devices based on few layer SnSe2 nanosheets were prepared and which shows fast response as well as recovery time along with good long-term stability and high sensitivity. The photo sensing behavior shows the typical response time and recovery time to be similar to 310 ms and similar to 340 ms respectively for visible light illumination. The room temperature humidity sensing behaviors were studied in the range of 11-97\% relative humidity (RH). The ob-served sensitivity of similar to 81\% with response time of similar to 74 sec and recovery time of similar to 30 sec were calculated for the few layer SnSe2 nanosheets based humidity sensor. The humidity sensing results confirms the high stability of the device even after six months of time. The temperature dependent Raman spectroscopy investigation in the range of 80 K to 593 K were carried out which shows the negative temperature coefficient and softening of Raman modes as we increases the temperature. The softening modes of SnSe2 nanosheets due to temperature were explained on the basis of a double resonance process which is more active in an atomically thin sample.}, doi = {10.1002/slct.201601347}, author = {Pawbake, Amit S. and Date, Abhijit and Jadkar, Sandesh R. and Late, Dattatray J.} } @article {43635, title = {Temperature dependent Raman spectroscopy of electrochemically exfoliated few layer black phosphorus nanosheets}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {AUG}, abstract = {The present investigation deals with temperature dependant Raman spectroscopy of electrochemically exfoliated few layer black phosphorus nanosheets. The temperature dependent study illustrates that softening of the A(g)(1), B-2g and A(g)(2) modes occurs as the temperature increases from 78 K to 573 K. The calculated temperature coefficients for the A(g)(1), B-2g and A(g)(2) modes were found to be -0.028 cm(-1) K-1, -0.028 cm(-1) K-1 and -0.018 cm(-1) K-1 respectively. The observed phenomenon can be utilized for characterizing other emerging two-dimensional inorganic layered materials with atomic thickness.}, doi = {10.1039/c6ra15996f}, author = {Pawbake, Amit S. and Erande, Manisha B. and Jadkar, Sandesh R. and Late, Dattatray J.} } @article {43433, title = {Temperature sensitive emission color tuning and white light emission in segmented OPV polymer: perylene bisimide supramolecular complex}, journal = {Macromolecules}, volume = {49}, year = {2016}, month = {NOV}, pages = {8134-8145}, abstract = {An oligo(phenylenevinylene) (OPV) based segmented polymer (POPV) and its small molecule model compound (SOPV) were designed with a carboxyl functionality in the side chain. The polymer and small molecule were complexed with pyridine functiorialized perylene bisimide (UPBIPy) and the properties of the donor: acceptor (D:A) complexes were compared. Both polymer and small molecule D:A complexes formed lamellar morphologies in the <10 nm length scale, which could be visualized by TEM and AFM imaging. The flexibility of the segmented polymer architecture imparted special properties to the polymer and its complex. The polymer complex (POPVC) exhibited white light emission with CIE color coordinates (0.27, 0.32) due to partial energy transfer from POPV to UPBIPy. The analogous model OPV complex (SOPVC) continued to show characteristic blue OPV emission in the complex also. The higher sensitivity of polymers toward temperature was made use of to tune the emission color in the complex from white (0.27, 0.32) at 30 degrees C to yellow-green (0.29, 0.31) at 100 degrees C and back to white (0.27, 0.31) upon cooling to 30 degrees C. Such a temperature sensitive emission color tuning was not observed in the small molecule complex under identical conditions.}, doi = {10.1021/acs.macromol.6b01708}, author = {Shinde, Shekhar and Asha, S. K.} } @article {45631, title = {Temperature-dependent phonon shifts in atomically thin MoTe2 nanosheets}, journal = {Applied Materials Today}, volume = {5}, year = {2016}, month = {DEC}, pages = {98-102}, type = {Article}, abstract = {
The present investigations deal with temperature-dependent Raman spectroscopy of bi-layer and few-layer molybdenum telluride (MoTe2) nanosheets prepared by micromechanical exfoliation method on a 300 nm SiO2/Si substrate. The temperature-dependent Raman spectroscopy was carried out using 633 nm laser excitation over the wider temperature range of 123-523 K. The temperature-dependent study illustrates the softening of A(1g), E-2g(1), and B-2g modes as temperature increases from 123 K to 523 K. The calculated temperature coefficients for A(1g), E-2g(1) and B-2g modes of the bi-layer MoTe2, nanosheet sample were found to be -0.00911 cm(-1) K-1, -0.01297 cm(-1) K-1 and -0.0159 cm(-1) K-1,respectively. For few-layer MoTe2 nanosheet sample, the temperature coefficient values were found to be -0.0113 cm(-1) K-1 (A(1g)), -0.0129 cm(-1) K-1 (E-2g(1)) and -0.0149 cm(-1) K-1 (B-2g), respectively. The present work highlights the temperature-dependent lattice vibration consequence of 2D MoTe2 nanosheet, which can be fundamentally pertinent in other promising and emerging 2D ultrathin layer and heterostructured materials to be used in future optoelectronic and nanoelectronic devices. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Layered material, MoTe2, Phonon vibration, Raman spectroscopy, thermal effect}, issn = {2352-9407}, doi = {10.1016/j.apmt.2016.09.013}, author = {Late, Dattatray J.} } @article {42997, title = {Template determines whether chemically identical nanoparticle scaffolds show elastic recovery or plastic failure}, journal = {Langmuir}, volume = {32}, year = {2016}, month = {NOV}, pages = {11623-11630}, abstract = {
Subtle variations in the preparation of ice-templated nanoparticle assemblies yield monoliths that are chemically identical but exhibit qualitatively different mechanical behavior. We ice template aqueous dispersions to prepare macroporous monoliths largely comprising silica nanoparticles held together by a crosslinked polymer mesh. When the polymer is crosslinked in the presence of ice crystals, we obtain an elastic sponge that is capable of recovery after imposition of large compressive strains (up to 80\%). If, however, the ice is lyophilized before the polymer is crosslinked, we obtain a plastic monolith that fails even for modest strains (less than 10\%). The elastic sponge and the plastic monolith are chemically identical; they have the same organic content, the same ratio of polymer to crosslinker, and the same average crosslink density. Atomic force microscopy (AFM) was used to probe the local mechanical properties of the crosslinked polymer mesh. These measurements indicate that plastic monoliths dissipate significantly more energy and have a larger spatial variation in local mechanical response relative to the elastic sponges. We believe that this behavior might correlate with a wider spatial distribution of crosslinks in plastic scaffolds relative to elastic scaffolds.
}, doi = {10.1021/acs.langmuir.6b03173}, author = {Suresh, Karthika and Patil, Shivprasad and Rajamohanan, Pattuparambil Ramanpillai and Kumaraswamy, Guruswamy} } @article {43587, title = {Template-free sol-gel synthesis of high surface area mesoporous silica based catalysts for esterification of di-carboxylic acids}, journal = {Comptes Rendus Chimie}, volume = {19}, year = {2016}, month = {OCT}, pages = {1247-1253}, abstract = {High surface area mesoporous silica based catalysts have been prepared by a simple hydrolysis/sol-gel process without using any organic template and hydrothermal treatment. A controlled hydrolysis of ethyl silicate-40, an industrial bulk chemical, as a silica precursor, resulted in the formation of very high surface area (719 m(2)/g) mesoporous (pore size 67 angstrom and pore volume 1.19 cc/g) silica. The formation of mesoporous silica has been correlated with the polymeric nature of the ethyl silicate-40 silica precursor which on hydrolysis and further condensation forms long chain silica species which hinders the formation of a close condensed structure thus creating larger pores resulting in the formation of high surface mesoporous silica. Ethyl silicate-40 was used further for preparing a solid acid catalyst by supporting molybdenum oxide nanoparticles on mesoporous silica by a simple hydrolysis sol gel synthesis procedure. The catalysts showed very high acidity as determined by NH3-TPD with the presence of Lewis as well as Brensted acidity. These catalysts showed very high catalytic activity for esterification: a typical acid catalyzed organic transformation of various mono- and di-carboxylic acids with a range of alcohols. The in situ formed silicomolybdic acid heteropoly-anion species during the catalytic reactions were found to be catalytically active species for these reactions. Ethyl silicate-40, an industrial bulk silica precursor, has shown a good potential for its use as a silica precursor for the preparation of mesoporous silica based heterogeneous catalysts on a larger scale at a lower cost. (C) 2016 Published by Elsevier Masson SAS on behalf of Academie des sciences.}, doi = {10.1016/j.crci.2016.02.001}, author = {More, Pavan M. and Umbarkar, Shubhangi B. and Dongare, Mohan K.} } @article {45654, title = {Theoretical study of the ground and excited state tautomersim in curcumin using DFT based methods}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {252}, year = {2016}, month = {AUG }, type = {Article}, issn = {0065-7727}, author = {Grewal, Baljinder and Ghosh, Debashree} } @article {42857, title = {Is there any real effect of low dimensional morphologies towards light harvesting? a case study of Au-rGO-TiO2 nanocomposites}, journal = {Chemistry Select }, volume = {1}, year = {2016}, month = {APR}, pages = {917{\textendash}923}, abstract = {
Nanotube and nanosheet morphologies have been celebrated for their electron transport properties. Present work has been explored to exploit the same by combining 1D TiO2 nanotube (1D-TN) with 2D reduced graphene oxide (rGO) along with nano gold for visible light sensitization for photocatalytic H2 generation under one sun condition and visible light (λ>= 400 nm). Vertical and horizontal electron transport in 1D-TN and rGO, respectively, is combined with the visible light absorption capability of Au nanoparticle. H2 yield (HY) varies between 100 and 655 {\textmu}mol/g.h with an apparent quantum yield between 0.45 and 3.2 \%, respectively, depending on Au/rGO/1D-TN preparation method and reaction conditions. It has been demonstrated that interfacial contact between rGO/1D-TN and Au is crucial for high photocatalytic HY. Preparation method influences charge utilization, and hence HY, to a large extent. Nonetheless, the maximum HY reported in the present work is just comparable to HY reported in literature with the most commonly found spherical morphology, and this leads to a question of, is there any real influence of 1D and/or 2D materials, particularly, towards light harvesting applications?
}, doi = {10.1002/slct.201600182}, author = {Melvin, Ambrose A. and Bharad, Pradnya A. and Illath, Kavya and Lawrence, Meenu P. and Gopinath, Chinnakonda S.} } @article {43009, title = {Thermal stimuli-responsive behavior of pyrene end-functionalized PDMS through tunable P{\textendash}P interactions}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {54}, year = {2016}, month = {JAN}, pages = {159-168}, abstract = {
Pyrene end-functionalized, telechelic poly(dimethyl siloxane) (PDMS) materials were synthesized and their response to different thermal stimuli was evaluated. The incorporation of pyrene end groups introduces strong pi-pi interactions that facilitated a broad range of thermally responsive properties, in some circumstances forming pyrene nanocrystals that serve as physical crosslinks leading to elastic materials. By synthesizing different chain lengths, samples exhibiting a 7 orders of magnitude change in storage modulus in response to thermal stimuli were produced by modifying only the end-groups (0.6 wt \% of all polymer segments). Repeated thermal cycling during rheological experiments revealed that pi-pi interaction and crystallization/melting kinetics of pyrene chain-ends plays a key role in their thermal responsiveness. The properties of these materials were tuned by adding free pyrene, neat PDMS, or graphene oxide (GO) nanoparticles, making them attractive for many applications (e.g., tunable damping materials, heat/light sensors, conductive gels, or light repositionable adhesives). For example, nanocomposites containing 1 wt \% GO caused the melting temperature for pyrene crystal domains to more than double, and even induced pyrene end-group crystallization in samples that did not exhibit crystals in neat form. It is hypothesized that these features originate from pi-pi interactions between pyrene ends and GO surfaces. (C) 2015 Wiley Periodicals, Inc.
}, doi = {10.1002/polb.23805}, author = {Ha, Heonjoo and Shanmuganathan, Kadhiravan and Fei, Yunping and Ellison, Christopher J.} } @article {43577, title = {Thickness tunable transport in alloyed WSSe field effect transistors}, journal = {Applied Physics Letters}, volume = {109}, year = {2016}, month = {OCT}, pages = {Article Number: 142101}, abstract = {We report the field effect transistor characteristics of exfoliated transition metal dichalcogenide alloy tungsten sulphoselenide. WSSe is a layered material of strongly bonded S-W-Se atoms having weak interlayer van der Waals forces with a significant potential for spintronic and valleytronic applications due to its polar nature. The X-ray photoelectron spectroscopy measurements on crystals grown by the chemical vapor transport method indicate a stoichiometry of the form WSSe. We report flake thickness tunable transport mechanism with n-type behavior in thin flakes (<= 11 nm) and ambipolarity in thicker flakes. The devices with flake thicknesses of 2.4 nm-54.8nm exhibit a maximum electron mobility of similar to 50 cm(2)/V s along with an I-ON/I-OFF ratio > 10(6). The electron Schottky barrier height values of 35 meV and 52meV extracted from low temperature I-V measurements for 3.9 nm and 25.5 nm thick flakes, respectively, indicate that an increase in hole current with thickness is likely due to lowering of the bandgap through an increase in energy of the valence band maximum. Published by AIP Publishing.}, doi = {10.1063/1.4964289}, author = {Karande, Shruti D. and Kaushik, Naveen and Narang, Deepa S. and Late, Dattatray and Lodha, Saurabh} } @article {42858, title = {Three way catalytic converter reactions aspects at near ambient temperatures on modified pd-surfaces}, journal = {Comptes Rendus Chimie}, volume = {19}, year = {2016}, month = {OCT}, pages = {1363-1369}, abstract = {
The dissolution of oxygen in palladium plays an important role in palladium catalysis. The present study shows that the surface modification (SM) due to the dissolution of atomic oxygen into the subsurfaces of palladium can be used as a control to tune its catalytic activity. CO oxidation and NO + H-2 + O-2 reaction was separately carried out on metallic Pd and on surface modified Pd using a molecular beam instrument and the results were compared. The metallic Pd does not show activity below 400 K for both reactions, whereas the SM-Pd shows activity at near-ambient temperatures. The electronic change due to SM was investigated using ambient pressure photoelectron spectroscopy, and the investigation clearly shows the effect of subsurface oxygen in the ambient temperature activity of palladium. (C) 2016 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.
}, doi = {10.1016/j.crci.2015.11.019}, author = {Roy, Kanak and Jain, Ruchi and Ghosalya, Manoj Kumar and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @inbook {45878, title = {Three-phase slurry reactors}, booktitle = {Multiphase catalytic reactors: theory, design, manufacturing, and applications}, year = {2016}, pages = {132-155}, publisher = {Wiley Blackwell}, organization = {Wiley Blackwell}, abstract = {
Many of the chemical reactors employed in various sectors of the process andchemical industries, suchas petroleumrefining,downstream processing and petrochemicals, bulk and specialty chemicals, and pharmaceuticals, involve reactants and products in three phases. The ubiquitous presence of three-phase reactors comes from the fact that many of the reactants are liquids under reaction conditions, to be treated with a gas like hydrogen, and in the presence of a heterogeneous catalyst that is usually a solid. This requirement leads to two broad modes of contacting one in which the catalyst is held stationary in a "fixed" or a "packed bed" and one in which the catalyst is set free to move, along with the flowing fluid phases, during their sojourn through the reactor vessel.The choice ofwhether the catalyst should be fixed ormoving is usually dictated by the relative dominance of transport rates and intrinsic kinetics. If the reaction chemistry is intrinsically slow (when external and internalmass transfer of chemical species from the fluid phases to the porous catalyst is not rate limiting), packed bed reactor that allows very high catalyst loading is usually preferred. Packed beds, however, do not constitute the main topic of discussion in this monograph. Still, three-phase packed beds and slurry reactors are really parts of the same continuum of three-phase catalytic reactors andhave beendiscussedcomprehensively about three decades back in the classic book by P.A. Ramachandran and R.V. Chaudhari (Three Phase Catalytic Reactors. NewYork:Gordon and Breach Science Publishers; 1983). The same authors published earlier a review of three-phase slurry reactors (Chaudhari RV, Ramachandran PA. Three phase slurry reactors. AIChE J. 1980;26(2):177-199). This chapter builds on these authors{\textquoteright} works and attempts to update the reader on developments in the field over the past few decades while retaining the essential reactionandreactorengineering aspects.The focus isonthe design, scale-up, and operation of three-phase slurry reactor systems
}, isbn = {978-111811576-3 }, issn = {978-111924849-1}, doi = {10.1002/9781119248491.ch6}, author = {Buwa, V. V. and Roy, S. and Ranade, V. V.} } @article { ISI:000371948100113, title = {TiO2 modification by gold (Au) for photocatalytic hydrogen (H-2) production}, journal = {Renewable \& Sustainable Energy Reviews}, volume = {58}, year = {2016}, month = {MAY}, pages = {1366-1375}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
TiO2 is indeed one of the widely used semiconductors employed for photocatalytic hydrogen production. Most of its photocatalytic activity-is achieved in its crystalline form. However, its photocatalytic activity is limited to ultraviolet region. For making TiO2 visible light active; Au deposition is strongly recommended due to its surface plasmon feature. Au deposition enhances the photocatalytic activity of both crystalline and nanocrystalline TiO2. Efficiency of photocatalytic activity is controlled by shape and size of Au nanoparticle subsequently the synthetic methodology plays an important role. Herein, we furnish a brief description of TiO2-Au nanocomposite synthesis by different methods viz. sol-gel, photodeposition, deposition-precipitation simple reducing method and dispersion method. A discussion on physical properties of the resultant material is also provided. Three different types of mechanism has been described depending on the type of irradiation and form of TiO2 (crystalline and nanocrytalline). A comparative hydrogen production yield is also tabulated to get an idea about the best synthesis methodology and form of TiO2 for efficient photocatalysis. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Gold nanoparticle, Hydrogen generation, Nanocomposite, Photocatalysis, TiO2}, issn = {1364-0321}, doi = {10.1016/j.rser.2015.12.236}, author = {Gupta, Bhavana and Melvin, Ambrose A. and Matthews, Tom and Dash, Sitaram and Tyagi, A. K.} } @article { ISI:000372915400016, title = {Total synthesis and structural assignment of hexaketide xylarinolb and its C1-epimer}, journal = {Asian Journal of Organic Chemistry}, volume = {5}, number = {3}, year = {2016}, month = {MAR}, pages = {417-422}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
The total synthesis of two isomeric hexaketides isolated along with sordarial, which have the proposed relative arabino and ribo configurations, has been executed. A Rh-catalyzed [2+2+2]-alkyne cyclotrimerization has been employed as the key reaction to construct the central dihydroisobenzofuran core. The absolute configuration of the xylarinolB hexaketide has been established as l-arabino. This is the first natural product of this family for which the absolute configuration has been determined, and this can be extended to provide structural details of several of related hexaketides.
}, keywords = {hexaketides, sordarial, Wilkinson{\textquoteright}s catalyst, xylarinolB, {[2+2+2]-cyclotrimerization}, issn = {2193-5807}, doi = {10.1002/ajoc.201500511}, author = {Mullapudi, Venkanna Babu and Ramana, Chepuri V.} } @article { ISI:000379493900061, title = {Total synthesis of (-)-(6R,11R,14S)-colletallol via proline catalyzed alpha-aminoxylation and Yamaguchi macrolactonization}, journal = {RSC Advances}, volume = {6}, number = {68}, year = {2016}, month = {JUN}, pages = {63607-63612}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A simple and efficient synthesis of the 14-membered macrolide (-)-(6R,11R,14S)-colletallol was achieved in a highly diastereoselective manner with high overall yield. The stereogenic centre was generated using a proline catalyzed alpha-aminoxylation reaction and the ring was constructed using Yamaguchi protocol.
}, issn = {2046-2069}, doi = {10.1039/c6ra08484b}, author = {Kauloorkar, Shruti Vandana and Kumar, Pradeep} } @article { ISI:000372664600061, title = {Total synthesis of integrastatin B enabled by a benzofuran oxidative dearomatization cascade}, journal = {Organic Letters}, volume = {18}, number = {6}, year = {2016}, month = {MAR}, pages = {1458-1461}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The first total synthesis of integrastatin B, a potent HIV-1 integrase inhibitor, has been accomplished in seven steps with a 17.9\% overall yield employing easily accessible starting compounds. The Oxone-mediated oxidative benzofuran dearomatization cascade has been employed as the key skeletal construct to forge the central tetracyclic nucleus.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b00404}, author = {More, Atul A. and Ramana, Chepuri V.} } @article { ISI:000368207600013, title = {Total synthesis of isocladosporin and 3-epi-isocladosporin}, journal = {Tetrahedron Letters}, volume = {57}, number = {1}, year = {2016}, month = {JAN}, pages = {53-55}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
A convergent total synthesis of isocladosporin and 3-epi-isocladosporin is reported starting from commercially available homoallyl alcohol in 10 longest linear steps with 28\% overall yield. The key steps involved in the synthesis are cross-metathesis, tandem isomerization followed by C-O and C-C bond formation reactions for the synthesis of trans-2,6-disubstituted dihydropyrans developed by us, acylation reaction and Luche reaction. (C) 2015 Elsevier Ltd. All rights reserved.
}, keywords = {Acylation reaction, Cross-metathesis, Iodocyclization, Isocladosporin 3-epi-Isodadosporin, Luche reduction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.11.060}, author = {Mohapatra, Debendra K. and Maity, Saurabh and Banoth, Shivalal and Gonnade, Rajesh G. and Yadav, J. S.} } @article { ISI:000382768400020, title = {Total synthesis of (-)-nardoaristolone B}, journal = {European Journal of Organic Chemistry}, number = {22}, year = {2016}, month = {AUG}, pages = {3804-3808}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
A stereoselective total synthesis of (-)-Nardoaristolone B, a nor-aristolane sesquiterpenoid natural product with an unusual 3/5/6 tricyclic ring system is described. The highlights of the present work includes use of (+)-(R)-Pulegone as a chiral-pool starting material, ring-closing metathesis, allylic oxidation and stereoselective cyclopropanation. In addition, a new analogue of Nardoaristolone B (minor product from the final step) was isolated in pure form and fully characterized with the help of single-crystal X-ray analysis.
}, keywords = {Chiral pool, cyclopropanation, Nardoaristolone B, Natural products, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201600538}, author = {Ople, Rohini S. and Handore, Kishor L. and Kamat, Nidhi S. and Reddy, D. Srinivasa} } @article { ISI:000379455300035, title = {Total synthesis of the marine natural product solomonamide B necessitates stereochemical revision}, journal = {Organic Letters}, volume = {18}, number = {13}, year = {2016}, month = {JUL}, pages = {3178-3181}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The first total synthesis of the proposed structure of solomonamide B has been achieved. However, the H-1 and C-13 NMR spectral data of the synthesized compound was not exactly matching with that of the natural solomonamide B. This prompted us to revise the originally proposed structure, in particular, the stereochemistry of the nonpeptide part, which was confirmed by its total synthesis. During the course of the synthesis, we have developed an interesting hydroxy group directed Wacker oxidation of internal olefins in a macrocyclic setting.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01395}, author = {Kashinath, K. and Jachak, Gorakhnath R. and Athawale, Paresh R. and Marelli, Udaya Kiran and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000369001500017, title = {Toughening of epoxy novolac resin using cardanol based flexibilizers}, journal = {Journal of Applied Polymer Science}, volume = {133}, number = {16}, year = {2016}, month = {APR}, pages = {43318}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
In this work, two different cardanol based epoxies (Cardolite NC-514 and Cardanol NC-547) were employed as flexibilizers to toughen an epoxy novolac resin namely, poly[(phenylglycidyl ether)-co-formaldehyde] (PPGEF). 4,4-Diamino-3,3-dimethyl dicyclohexyl methane (BMCHA) was used as a curing agent. Differential scanning calorimetry and dynamic mechanical thermal analysis of the composites showed a gradual decrease in glass transition temperatures (T-g) with increase in cardolite content confirming the incorporation of flexible moieties into the brittle resin matrix. Improvement in toughening of PPGEF/Cardolite composites was manifested by increase in the izod impact strength of both the composites. The tensile strength increased marginally for composites with increasing amount of Cardolite NC-514 but decreased for the composites containing Cardolite NC-547. This was attributed to the lack of rotational motion in the chain due to close proximity of rigid phenyl rings in NC-547. SEM of the cryo-fractured surfaces of composites showed good compatibility between PPGEF and cardanol based flexibilizers. (c) 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43318.
}, keywords = {composites, crosslinking, glass transition}, issn = {0021-8995}, doi = {10.1002/app.43318}, author = {Gour, Rajeshwari S. and Kodgire, Vivek V. and Badiger, Manohar V.} } @article {42630, title = {Tracing the architecture of caffeic acid phenethyl ester cocrystals: studies on crystal structure, solubility, and bioavailability implications}, journal = {Crystal Growth \& Design}, volume = {16}, year = {2016}, month = {OCT}, pages = {5710-5716}, abstract = {
Caffeic acid phenethyl ester (CAPE) is a polyphenolic active compound present in popular apiproduct, "propolis", obtained from beehives, Though it has broad therapeutic capability, the bioavailability of CAPE is limited due to poor solubility. In this study, we report novel cocrystals of CAPE engineered using coformers such as caffeine (CAP), isonicotinamide (INIC), and nicotinamide (NIC) with enhanced solubility and bioavailability of CAPE. The cocrystals were prepared by microwave-assisted cocrystallization and characterized using PXRD, DSC, and Raman spectroscopy. PXRD and DSC confirm the successful formation and phase purity of CAPE-CAF, CAPE-INIC, and CAPE-NIC cocrystals. Raman spectra of CAPE cocrystals complement these results in confirming the formation of novel crystalline phases. CAPE-NIC cocrystal was further subjected X-ray crystallography to understand its molecular arrangement and hydrogen bonding in the crystal structure. The CAPE-NIC cocrystal structure is found to be stabilized by a rare 1,2-benzenediol-amide heterosynthon. Cocrystallization of CAPE with NIC improved its aqueous solubility and pharmacokinetic profile, thereby demonstrating a 2.76-fold escalation in bioavailability.
}, doi = {10.1021/acs.cgd.6b00759}, author = {Ketkar, Sameer and Pagire, Sudhir K. and Goud, N. Rajesh and Mahadik, Kakasaheb R. and Nangia, Ashwini and Paradkar, Anant} } @article { ISI:000379350100109, title = {Transfer hydrogenation of biomass-derived levulinic acid to gamma-valerolactone over supported Ni catalysts}, journal = {RSC Advances}, volume = {6}, number = {64}, year = {2016}, month = {JUN}, pages = {59753-59761}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
A sustainable process of catalytic transfer hydrogenation (CTH) of levulinic acid (LA) to gamma-valerolactone (GVL) was investigated over Ni on various supports (Al2O3, ZnO, MMT and SiO2) in the presence of isopropanol (IPA) as the H-donor. Among these, the montmorillonite (MMT) supported Ni catalyst showed almost complete LA conversion (\>99\%) and selectivity (\>99\%) to GVL within 1 h. XRD and XPS results showed that the concentration of the metallic species significantly enhanced (two to four times) in the recovered sample as compared to the freshly prepared Ni/MMT. This was due to the in situ reduction of Ni2+ species present on the catalyst surface, through liberated H-2 under the reaction conditions. The strong acid strength of MMT, evidenced by NH3-TPD and py-IR, facilitated the esterification of LA as well as cyclization to GVL. The conversion-selectivity pattern was found to decrease in the IPA-water mixture while, it remained unchanged in the IPA-acetone mixture. Our catalyst could be efficiently recycled up to five times with consistent CTH activity and selectivity to GVL. The plausible mechanism of LA to GVL conversion involves the formation of a levulinate ester with IPA that favours its simultaneous hydrogenation and cyclization in a spontaneous manner to give GVL and regenerating IPA for sustainability.
}, issn = {2046-2069}, doi = {10.1039/c6ra08637c}, author = {Hengne, Amol M. and Kadu, Brijesh S. and Biradar, Narayan S. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article { ISI:000370421500054, title = {Transferability of different classical force fields for right and left handed alpha-helices constructed from enantiomeric amino acids}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {7}, year = {2016}, month = {FEB}, pages = {5550-5563}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Amino acids can form D and L enantiomers, of which the L enantiomer is abundant in nature. The naturally occurring L enantiomer has a greater preference for a right handed helical conformation, and the D enantiomer for a left handed helical conformation. The other conformations, that is, left handed helical conformations of the L enantiomers and right handed helical conformations of the D enantiomers, are not common. The energetic differences between left and right handed alpha helical peptide chains constructed from enantiomeric amino acids are investigated using quantum chemical calculations (using the M06/6-311g(d,p) level of theory). Further, the performances of commonly used biomolecular force fields (OPLS/AA, CHARMM27/CMAP and AMBER) to represent the different helical conformations (left and right handed) constructed from enantiomeric (D and L) amino acids are evaluated. 5- and 10-mer chains from D and L enantiomers of alanine, leucine, lysine, and glutamic acid, in right and left handed helical conformations, are considered in the study. Thus, in total, 32 a-helical polypeptides (4 amino acids x 4 conformations of 5-mer and 10-mer) are studied. Conclusions, with regards to the performance of the force fields, are derived keeping the quantum optimized geometry as the benchmark, and on the basis of phi and psi angle calculations, hydrogen bond analysis, and different long range helical order parameters.
}, issn = {1463-9076}, doi = {10.1039/c5cp06715d}, author = {Biswas, Santu and Sarkar, Sujit and Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000375969000054, title = {Transition metal doped aluminum clusters: an account of spin}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {18}, year = {2016}, month = {MAY}, pages = {10027-10040}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
The influence of spin on the properties of small sized transition metal doped aluminum clusters are investigated in the framework of density functional theory (DFT). Detailed analysis on minimum spin doped aluminum clusters has shown prominent indication of odd even oscillation in various calculated properties, supporting the presence of jellium shell structures within them. However, optimized high spin ground state counterparts, on the other hand, show rather smooth trends consistent with the properties of bulk materials. Resemblance to the bulk transition metals is further reflected in the gradual declining trends of heat of adsorption of CO2 molecule on cluster surface by sequentially changing the dopant atom from scandium to zinc. All the observations are also compared and found to be consistent with the earlier theoretical and experimental findings as obtained in the current literature. The similarities in the properties between atomic clusters and the bulk material is of utter importance and indeed precious considering the promising influence of the acquired information in understanding the process of evolution of nanoparticles from constituent atoms.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.6b00510}, author = {Sengupta, Turbasu and Das, Susanta and Pal, Sourav} } @article { ISI:000375507300036, title = {Treatment of the pesticide industry effluent using hydrodynamic cavitation and its combination with process intensifying additives (H2O2 and ozone)}, journal = {Chemical Engineering Journal}, volume = {295}, year = {2016}, month = {JUL}, pages = {326-335}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {
Hydrodynamic cavitation (HC) and its combination with H2O2 and ozone have been applied in the present work for the treatment of industrial pesticide effluent. Initially, the effect of dilution of the effluent on the efficacy of hydrodynamic cavitation has been studied using circular venturi as a cavitator. Although an increase in the extent of dilution has not shown any beneficial effect on the actual moles of pollutant degraded, hybrid processes have been studied using 1:5 dilution due to very high TDS content of the effluent. Treatment of the industrial pesticide effluent using HC + ozone (3 gbh) process has demonstrated that the biodegradability index (BI) of the effluent increases from 0.123 to 0.324 after 2 h of operation. The rate of COD and TOC reduction has also increased by many folds by using HC in combination with ozone. In addition this, the treatment of industrial pesticide effluent using HC + H2O2 has also indicated that the rate of COD and TOC reduction increases significantly by using HC in combination with various loadings of H2O2. The study of interference of added H2O2 on the COD analysis has exhibited that the COD equivalence is 0.441 mg/L for 1 mg/L of H2O2. The energy efficiency and operating cost of various hybrid processes have been compared based on the cavitational yield and the cost of electricity. The combined process of HC and H2O2 has observed to be the most cost-effective one due to its higher cavitational yield and lower power consumption. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Biodegradability index, Hydrodynamic cavitation, Hydrogen peroxide, Industrial pesticide effluent, Ozone, Venturi}, issn = {1385-8947}, doi = {10.1016/j.cej.2016.03.019}, author = {Raut-Jadhav, Sunita and Badve, Mandar P. and Pinjari, Dipak V. and Saini, Daulat R. and Sonawane, Shirish H. and Pandit, Aniruddha B.} } @article { ISI:000369875900008, title = {Tunable nanocarrier morphologies from glycopolypeptide-based amphiphilic biocompatible star copolymers and their carbohydrate specific intracellular delivery}, journal = {Biomacromolecules}, volume = {17}, number = {2}, year = {2016}, month = {FEB}, pages = {466-475}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Nanocarriers with carbohydrates on the surface represent a very interesting class of drug-delivery vehicles because carbohydrates are involved in biomolecular recognition events in vivo. We have synthesized biocompatible miktoarm star copolymers comprising glycopolypeptide and poly(e-caprolactone) chains using ring-opening polymerization and {\textquoteleft}{\textquoteleft}click chemistry{\textquoteright}{\textquoteright}. The amphiphilic copolymers were self-assembled in water into morphologies such as nanorods, polymersomes, and micelles with carbohydrates displayed on the surface. We demonstrate that the formation of nanostructure could be tuned by chain length of the blocks and was not affected by the type of sugar residue. These nanostructures were characterized in detail using a variety of techniques such as TEM, AFM, cryogenic electron microscopy, spectrally resolved fluorescence imaging, and dye encapsulation techniques. We show that it is possible to sequester both hydrophobic as well as hydrophilic dyes within the nanostructures. Finally, we show that these noncytotoxic mannosylated rods and polymersomes were selectively and efficiently taken up by MDA-MB-231 breast cancer cells, demonstrating their potential as nanocarriers for drug delivery.
}, issn = {1525-7797}, doi = {10.1021/acs.biomac.5b01354}, author = {Pati, Debasis and Das, Soumen and Patil, Naganath G. and Parekh, Nimisha and Anjum, Dalaver H. and Dhaware, Vinita and Ambade, Ashootosh V. and Sen Gupta, Sayam} } @article { ISI:000369212900018, title = {Tuning emission responses of a triphenylamine derivative in host-guest complexes and an unusual dynamic inclusion phenomenon}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {2}, year = {2016}, month = {JAN}, pages = {512-521}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
A newly synthesized triphenylamine derivative (1Cl(3)) shows significant differences in inclusion complex formation with two different macrocyclic hosts, cucurbit[7]uril (CB[7]) and beta-cyclodextrin (beta-CD). Detailed investigations by NMR spectroscopy reveal that CB[7] forms a 1:3 host-guest complex ([1 center dot 3{CB[7]}]Cl-3) in which three arms of 1Cl(3) are bound to three host molecules. On the other hand, beta-CD forms a dynamic 1:1 inclusion complex ([1 center dot{beta-CD}]Cl-3) by binding to only one of the three arms of 1Cl(3) at a given time. The formation of a 1:1 host-guest complex with beta-CD and 1:3 host-guest complex with CB[7] was also confirmed from the results of the isothermal titration calorimetric studies. Interestingly, 1Cl(3) exhibits a rare dual emission property in solution at room temperature with the lower and higher energy bands arising from a locally excited state and an intramolecular charge-transfer transition, respectively. The difference in inclusion complex formation behavior of 1Cl(3) with the two macrocyclic hosts results in the stabilization of different emission states in the two inclusion complexes. The fundamental difference in the electrostatic surface potentials, cavity polarities, and shapes of the two macrocyclic hosts could account for the formation of the different inclusion complexes with distinct luminescence responses.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b02353}, author = {Gangopadhyay, Monalisa and Mandal, Amal K. and Maity, Arunava and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R. and Das, Amitava} } @article { ISI:000368530300005, title = {Two chitotriose-specific lectins show anti-angiogenesis, induces caspase-9-mediated apoptosis and early arrest of pancreatic tumor cell cycle}, journal = {Plos One}, volume = {11}, number = {1}, year = {2016}, month = {JAN}, pages = {Article Number: e0146110}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {
The antiproliferative activity of two chito-specific agglutinins purified from Benincasa hispida (BhL) and Datura innoxia (DiL9) of different plant family origin was investigated on various cancer cell lines. Both lectins showed chitotriose specificity, by inhibiting lectin hemagglutinating activity. On further studies, it was revealed that these agglutinins caused remarkable concentration-dependent antiproliferative effect on human pancreatic cancerous cells but not on the normal human umbilical vein endothelial cells even at higher doses determined using MTT assay. The GI(50) values were approximately 8.4 mu g ml(-1) (0.247 mu M) and 142 mu g ml(-1) (14.8 mu M) for BhL and DiL9, respectively, against PANC-1 cells. The growth inhibitory effect of these lectins on pancreatic cancer cells were shown to be a consequence of lectin cell surface binding and triggering G(0)/G(1) arrest, mitochondrial membrane depolarization, sustained increase of the intracellular calcium release and the apoptotic signal is amplified by activation of caspases executing cell death. Interestingly, these lectins also showed anti-angiogenic activity by disrupting the endothelial tubulogenesis. Therefore, we report for the first time two chito-specific lectins specifically binding to tumor glycans; they can be considered to be a class of molecules with antitumor activity against pancreatic cancer cells mediated through caspase dependent mitochondrial apoptotic pathway.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0146110}, author = {Singh, Ruby and Nawale, Laxman and Sarkar, Dhiman and Suresh, C. G.} } @article { ISI:000375739900014, title = {Two-layer spin coating flow of newtonian liquids: a computational study}, journal = {Computers \& Fluids}, volume = {131}, year = {2016}, month = {JUN}, pages = {180-189}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {
Spin coating is the most commonly used method in industries to form coating films of desired thickness and functionality. In case of two-layer spin coating process, stratified layers of two immiscible liquids are deposited onto the substrate simultaneously, which spread and thin to form two-layer coating film of finite thickness. Questions concerning the effect of surface/interfacial tension on uniformity of these films and contact line evolution are relevant and need thorough investigation. Therefore, an axisymmetric model governing the flow of two-layer spin coating process is developed here. Liquids used for the study are assumed to be Newtonian and fully wetting. The contact line singularity is resolved using a precursor layer model and the governing equations are simplified using lubrication approximation. A Galerkin finite-element method (G/FEM) based scheme is developed to solve the resulting fourth order non-linear PDEs. Simulation results reveal that the fluid properties like ratio of the viscosity of upper layer fluid to lower layer and ratio of the upper gas-liquid surface tension to inner liquid-liquid interfacial tension have profound impact on the time evolution of the film profile, contact radius and shape of the capillary ridges. It is observed that a uniform two-layer film surrounded by thin single layer film is formed when the viscosity ratio is small. On the contrary, when viscosity ratio is large, a thin two-layer film surrounded by bulky capillary ridges is formed. Similarly, the results also show that sharpness of capillary ridge increases with decrease in the surface tension ratio. Further, it is found that increase in the precursor layer thickness increases the spreading rate, thereby making the film more uniform. Finally, the uniformity of the final two-layer film does not get affected by the initial volume of fluid present in the upper layer. (C) 2016 Elsevier Ltd. All rights reserved.
}, keywords = {Axisymmetric flow, Mathematical modeling, Multi-layer coating, Precursor layer model, Thin-film flow, Two-layer spin coating}, issn = {0045-7930}, doi = {10.1016/j.compfluid.2016.03.016}, author = {Sahoo, Subhadarshinee and Arora, Akash and Doshi, Pankaj} } @article { ISI:000374185000009, title = {Two-phase flow boiling in 19mm tube: experiments and CFD modelling}, journal = {Canadian Journal of Chemical Engineering}, volume = {94}, number = {5}, year = {2016}, month = {MAY}, pages = {872-885}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {
Boiling flows are encountered in a wide range of industrial applications such as boilers, nuclear reactors, electronic cooling, and various types of chemical reactors. Heat transfer coefficients, flow boiling regimes, flow instabilities, pressure drops, and conditions like dry-out are some of the key issues in every boiling flow study. It is observed that a limited experimental database is available for the 19mm ID channel diameter, i.e. a typical tube diameter of steam generator. Therefore, in the present work, the experimental setup was designed for studying boiling flows in a 19mm ID tube in such a way that different flow regimes occurring in a steam generator tube (from pre-heating of sub-cooled water to dry-out) could be investigated by varying inlet conditions. The reported results cover a reasonable range: 8-27kW/m(2) and 2.9-5.9kg/m(2)s heat and mass flux conditions, respectively. A basic computational flow model was also developed to facilitate interpretation of the obtained data. The presented design of the experimental setup and the approach of mimicking different types of steam generator tubes as well as presented experimental and simulated results are useful for gaining insight into complex boiling flows in tubes, and provide a sound basis for further work in this area.
}, keywords = {CFD, Flow regimes, two-phase flow boiling, vapour quality}, issn = {0008-4034}, doi = {10.1002/cjce.22455}, author = {Sardeshpande, Madhavi V. and Raymond, Barlev and Ranade, Vivek V.} } @article {43581, title = {Two-phase flow boiling pressure drop in small channels}, journal = {International Journal of Heat and Fluid Flow}, volume = {61}, year = {2016}, month = {OCT}, pages = {636-649}, abstract = {Two-phase flow boiling in small channels finds a variety of applications in power and process industries. Heat transfer, boiling flow regimes, flow instabilities, pressure drop and dry out are some of the key issues related to two-phase flow boiling in channels. In this work, the focus is on pressure drop in two-phase flow boiling in tubes of 19 mm diameter. These tubes are typically used in steam generators. Relatively limited experimental database is available on 19 mm ID tube. Therefore, in the present work, the experimental set-up is designed for studying flow boiling in 19 mm ID tube in such a way that any of the different flow regimes occurring in a steam generator tube (from pre-heating of sub-cooled water to dry-out) can be investigated by varying inlet conditions. The reported results cover a reasonable range of heat and mass flux conditions such as 9-27 kW/m(2) and 2.9-5.9 kg/m(2) s respectively. In this paper, various existing correlations are assessed against experimental data for the pressure drop in a single, vertical channel during flow boiling of water at near-atmospheric pressure. A special feature of these experiments is that time-dependent pressures are measured at four locations along the channel. The steady-state pressure drop is estimated and the identification of boiling flow regimes is done with transient characteristics using time series analysis. Experimental data and corresponding results are compared with the reported correlations. The results will be useful for understanding key aspects of flow boiling in small channels. (C) 2016 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.ijheatfluidflow.2016.07.008}, author = {Sardeshpande, Madhavi V. and Shastri, Parikshit and Ranade, Vivek V.} } @article {43608, title = {Ultrahydrophobic fluorous metal-organic framework derived recyclable composite as apromising platform to tackle marine oil spills}, journal = {Chemistry-A European Journal}, volume = {22}, year = {2016}, month = {JUL}, pages = {10937-10943}, abstract = {Derived from a strategically chosen hexafluorinated dicarboxylate linker aimed at the designed synthesis of a superhydrophobic metal-organic framework (MOF), the fluorine-rich nanospace of a water-stable MOF (UHMOF-100) exhibits excellent water-repellent features. It registered the highest water contact angle (approximate to 176 degrees) in the MOF domain, marking the first example of an ultrahydrophobic MOF. Various experimental and theoretical studies reinforce its distinc-tive water-repellent characteristics, and the conjugation of superoleophilicity and unparalleled hydrophobicity of a MOF material has been coherently exploited to achieve real-time oil/water separation in recyclable membrane form, with significant absorption capacity performance. This is also the first report of an oil/water separating fluorinated ultrahydrophobic MOF-based membrane material, with potential promise for tackling marine oil spillages.}, doi = {10.1002/chem.201601724}, author = {Mukherjee, Soumya and Kansara, Ankit M. and Saha, Debasis and Gonnade, Rajesh and Mullangi, Dinesh and Manna, Biplab and Desai, Aamod V. and Thorat, Shridhar H. and Singh, Puyam S. and Mukherjee, Arnab and Ghosh, Sujit K.} } @article { ISI:000380241600003, title = {Ultrasound- and molecular sieves-assisted synthesis, molecular docking and antifungal evaluation of 5-(4-(benzyloxy)-substituted phenyl)-3-((phenylamino)methyl)-1,3,4-oxadiazole-2(3H)-thiones}, journal = {Molecules}, volume = {21}, number = {5}, year = {2016}, month = {MAY}, pages = {484}, publisher = {MDPI AG}, address = {ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND}, abstract = {
A novel series of 5-(4-(benzyloxy) substituted phenyl)-3-((phenyl amino) methyl)-1,3,4-oxadiazole-2(3H)-thione Mannich bases 6a-o were synthesized in good yield from the key compound 5-(4-(benzyloxy) phenyl)-1,3,4-oxadiazole-2(3H)-thione by aminomethylation with paraformaldehyde and substituted amines using molecular sieves and sonication as green chemistry tools. The antifungal activity of the new products was evaluated against seven human pathogenic fungal strains, namely, Candida albicans ATCC 24433, Candida albicans ATCC 10231, Candida glabrata NCYC 388, Cryptococcus neoformans ATCC 34664, Cryptococcus neoformans PRL 518, Aspergillus fumigatus NCIM 902 and Aspergillus niger ATCC 10578. The synthesized compounds 6d, 6f, 6g, 6h and 6j exhibited promising antifungal activity against the tested fungal pathogens. In molecular docking studies, derivatives 6c, 6f and 6i showed good binding at the active site of C. albicans cytochrome P450 enzyme lanosterol 14 alpha-demethylase. The in vitro antifungal activity results and docking studies indicated that the synthesized compounds have potential antifungal activity and can be further optimized as privileged scaffolds to design and develop potent antifungal drugs.
}, keywords = {1, 3, 4-oxadiazoles, Antifungal activity, Mannich reaction, Molecular docking, Molecular sieves, Ultrasound}, issn = {1420-3049}, doi = {10.3390/molecules21050484}, author = {Nimbalkar, Urja D. and Tupe, Santosh G. and Seijas Vazquez, Julio A. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Nikalje, Anna Pratima G.} } @article {45640, title = {Understanding endothelial dysfunction in diabetic cardiovascular complications using mass spectrometry-based proteomics}, journal = {Heart}, volume = {102}, year = {2016}, month = {OCT}, pages = {A16-A17}, type = {Article}, issn = {1355-6037}, doi = {10.1136/heartjnl-2016-310696.51}, author = {Banarjee, Reema and Sharma, Akshay and Bai, Shakuntala and Deshmukh, Arati and Kazi, Rubina and Kulkarni, Mahesh J.} } @article { ISI:000382107200047, title = {Understanding positive and negative deviations in polarity of ionic liquid mixtures by pseudo-solvent approach}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {34}, year = {2016}, month = {SEP}, pages = {23853-23863}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Physico-chemical properties of liquid mixtures in general display large deviations from linear behaviour, arising out of complex specific and non-specific intermolecular interactions. The polarity of liquid mixtures displaying large positive and negative deviations can be minimized and linear mixing can be achieved in liquids using a pseudo-solvent methodology. The work described herein is designed to investigate the influence of different physical parameters on the linear pseudo-solvent composition in ionic liquid mixtures. For this purpose, we have determined the deviations from linearity, Delta E-T(N) values (defined as Delta E-T(N) = E-Texp.(N) - E-Tlin mix.(N) with E-Tlin mix.(N) given by Sigma(n)(i=0) E-Ti(N0) x(i)) for binary mixtures of a variety of ionic liquids, including two molecular solvents, DMSO and formamide. Firstly, the investigations were carried out in three 1-butyl-3-methylimidazolium cation based aprotic ionic liquids and the roles of anionic structure and hydrogen bond acceptor basicities (beta values) of the ionic liquids were determined. The influence of the cationic structure, i.e., the hydrogen bond donor acidity (alpha values) and non-associative nature of the ionic liquids, was determined using C2-methylated analogs, 1-butyl-2,3-dimethylimidazolium cation based ionic liquids. The role of the protic nature of ionic liquids was studied in two protic ionic liquids, viz., 1-methylimidazolium formate and 1-methylimidazolium acetate. The effects of the temperature, pseudo-solvent structure and solvatochromic probe structure on the Delta E-T(N) values were also explored.
}, issn = {1463-9076}, doi = {10.1039/c6cp04440a}, author = {Beniwal, Vijay and Kumar, Anil} } @article { ISI:000381436500019, title = {Understanding the electron transfer process in ZnO-naphthol azobenzoic acid composites from photophysical characterisation}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {32}, year = {2016}, month = {AUG}, pages = {22179-22187}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Semiconductor nanoparticles surface modified with organic molecules capable of visible light absorption and effectively transferring the electrons to the catalytic sites have the potential to be good photocatalysts. ZnO nanoparticles of size similar to 3 nm are grafted with two azonaphthols, one conjugated and the other non-conjugated. The photophysical properties of modified ZnO indicate an effective electron transfer from the conjugated azonaphthol to ZnO but not in the case of the non-conjugated molecule. It is also observed from lifetime studies that the conjugated molecule stabilises the defect sites on ZnO nanoparticles. It is possible that excited electrons from the conjugated molecule are transferred to specific defect sites in ZnO. This apparently does not occur in the non-conjugated molecule, bringing to focus the importance of the photophysical characteristics of organic modifiers in designing visible light active photocatalysts.
}, issn = {1463-9076}, doi = {10.1039/c6cp02908f}, author = {George, Leena and Kunhikannan, Athira K. and Illathvalappil, Rajith and Ottoor, Divya and Kurungot, Sreekumar and Devi, R. Nandini} } @article {43447, title = {Understanding the role of Keggin type heteropolyacid catalysts for glycerol acetylation using toluene as an entrainer}, journal = {Applied Catalysis A-General}, volume = {527}, year = {2016}, month = {OCT}, pages = {9-18}, abstract = {The heterogeneously catalyzed esterification (acetylation) of glycerol toward triacetin in batch mode in presence of toluene as entrainer was studied. Silicotungstic acid, tungstophosphoric acid and phosphomolybdic acid as heteropolyacids (HPAs) supported on silica, alumina or silica-alumina were used as catalysts. The course of the reaction was found to be very sensitive to the nature of the HPA as well as the support. Solid characterization by Raman spectroscopy, XRD, and pyridine-FTIR revealed that only combinations of tungsten-based HPAs and silica support were able to preserve the structure of active component throughout the preparation process, which was essential to obtain active and selective catalysts. The interaction between HPA and support was decisive for stability and dispersion of the catalytically active species. With the best performing catalyst H4SiW12O40/SiO2, selectivity to triacetin reached 71\% at complete conversion within 24h. The high selectivity to triacetin is attributed the Brensted acidic sites originated from stabilized Keggin structure and continuous removal of water during course of reaction. Toluene is able to form azeotropic mixtures with water and acetic acid and keeps the reaction temperature below the boiling point of acetic acid. Thus, water-free reaction conditions can be established. The catalyst was reusable; however, the activity and selectivity towards triacetin slightly decreased in a repetition run due to loss of active sites. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apcata.2016.08.016}, author = {Kale, S. S. and Armbruster, U. and Eckelt, R. and Bentrup, U. and Umbarkar, Shubhangi B.} } @article { ISI:000374049700040, title = {Unified approach to pyrrole-embedded aza-heterocyclic scaffolds based on the RCM/isomerization/cyclization cascade catalyzed by a Ru/B-H binary catalyst system}, journal = {RSC Advances}, volume = {6}, number = {41}, year = {2016}, month = {MAR}, pages = {34428-34433}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
An easy and straightforward preparation of pyrrole-embedded aza-heterocyclic scaffolds employing a Ru/B-H binary catalyst system has been developed. The strategy generates a diverse array of privileged scaffolds from 2-aminophenyl group appended pyrroles that can be prepared by a two-step process from corresponding aminoaryl-substituted pyrroles. The technique of incorporating 2-aminoaromatic groups in the heterocycles and their subsequent ring-closing-metathesis (RCM) isomerization followed by subsequent Pictet-Spengler type reaction should also be applicable to other heterocycles for generating a library of multi-ring compounds in an efficient manner.
}, issn = {2046-2069}, doi = {10.1039/c6ra05646f}, author = {Inamdar, Suleman M. and Chakrabarty, Indradweep and Patil, Nitin T.} } @article {42738, title = {Unified strategy for nickel-catalyzed C-2 Alkylation of indoles through chelation assistance}, journal = {ACS Catalysis}, volume = {6}, year = {2016}, month = {JUL}, pages = {5666{\textendash}5672}, abstract = {
A nickel-catalyzed direct C-2 alkylation of indoles through monodentate-chelation assistance has been described. This reaction proceeds via an unusual strategy by the use of a well-designed and defined (quinolinyl)amido{\textendash}nickel catalyst, [{κN,κN,κN-Et2NCH2C(O)(μ-N)C9H6N}Ni(OAc)], providing a solution to the limitations associated with bidentate-chelate auxiliaries. The method allows coupling of indoles with various unactivated primary and secondary alkyl halides with ample substrate scope. This uniquely strategized alkylation proceeded through crucial C{\textendash}H activation and via an alkyl radical intermediate. The reaction by this approach represents a rare example of Ni-catalyzed monodentate-chelate-assisted C{\textendash}H functionalization.
}, doi = {10.1021/acscatal.6b02003}, author = {Soni, Vineeta and Jagtap, Rahul A. and Gonnade, Rajesh G. and Punji, Benudhar} } @article { ISI:000371953000024, title = {Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {8}, year = {2016}, month = {FEB}, pages = {5910-5924}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {
Emerging nanotechnology has rapidly broadened interfacial prospects of biological molecules with carbon nanomaterials (CNs). A prerequisite for effectively harnessing such hybrid materials is a multifaceted understanding of their complex interfacial interactions as functions of the physico-chemical characteristics and the surface topography of the individual components. In this article, we address the origins of the curvature dependence of polypeptide adsorption on CN surfaces (CNSs), a phenomenon bearing an acute influence upon the behavior and activity of CN-protein conjugates. Our benchmark molecular dynamics (MD) simulations with the amphiphilic full-length amyloid beta (A beta) peptide demonstrate that protein adsorption is strongest on the concave (inner) CN-surface, weakest on the convex (outer) surface, and intermediary on the planar surface, in agreement with recent experimental reports. The curvature effects, however, are found to manifest non-uniformly between the amino acid subtypes. To understand the underlying interplay of the chemical nature of the amino acids and surface topography of the CNs, we performed high-level quantum chemical (QM) calculations with amino acid analogs (MA) representing their five prominent classes, and convex, concave and planar CN fragments. Molecular electrostatic potential maps reveal pronounced curvature dependence in the mixing of electron densities, and a resulting variance in the stabilization of the non-covalentty bound molecular complexes. Interestingly, our study revealed that the interaction trends of the high-level QM calculations were captured well by the empirical force field. The findings in this study have important bearing upon the design of carbon based bio-nanomaterials, and additionally, provide valuable insights into the accuracy of various computational techniques for probing non-bonded interfacial interactions.
}, issn = {1463-9076}, doi = {10.1039/c5cp04675k}, author = {Jana, Asis K. and Tiwari, Mrityunjay K. and Vanka, Kumar and Sengupta, Neelanjana} } @article { ISI:000380045400014, title = {Unravelling the mechanism of electrochemical degradation of PANI in supercapacitors: achieving a feasible solution}, journal = {Chemelectrochem}, volume = {3}, number = {6}, year = {2016}, month = {JUN}, pages = {933-942}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
Herein, we have investigated the mode of electrochemical degradation of polyaniline (PANI) when it was utilized as electrodes for supercapacitors. The PANI-based electrodes in supercapacitor devices were biased at a constant potential of 0.80 V, and the performance characteristics and property changes were carefully investigated as a function of the difference in the polarity of the electrodes. Subsequent to this, the analysis of the individual electrodes [positive (POS-PANI) and negative (NEG-PANI)] shows that the degradation mainly occurs at POS-PANI in comparison to NEG-PANI. Moreover, NEG-PANI retains a maximum capacitance of 510 Fg(-1), with a low charge-transfer resistance (R-CT) of 1.84 Omega and similar redox behavior in comparison to the fresh PANI (f-PANI). In contrast to this case, POS-PANI shows significant loss in capacitance (250 Fg(-1)) and increase in R-CT (3.5 Omega) with a disappearance of the characteristic redox behavior normally displayed by PANI. Furthermore, the drastic drop in the electrical conductivity for POS-PANI (1.2 Scm(-1)) compared to f-PANI (3.4 Scm(-1) and NEG-PANI (2.4 Scm(-1)) shows that the degradation of PANI occurs mainly at the anode (POS-PANI) and, thus, contributes to reduce the net performance of the cell. Hence, to ensure this potential-induced degradation of PANI in supercapacitors and also to promote the system stability, we made an asymmetric supercapacitor (ASC) by keeping PANI as a negative electrode and using carbon as a positive electrode. The derived system is found to display stable capacitance behavior before and after the potential application, in contrast to the ASC fabricated by using conventional method, that is, by keeping PANI as the positive electrode and carbon as the negative electrode. Furthermore, the durability analysis of the prototype solid-state ASC shows an enhanced durability of 27000 cycles with excellent columbic efficiency. The findings of the present study will be helpful in the development of highly stable supercapacitors and other similar energy systems when a material like PANI should be utilized for the electrode applications.
}, keywords = {asymmetric supercapacitors, cycle stability, electrochemical degradation, polarization, redox chemistry}, issn = {2196-0216}, doi = {10.1002/celc.201500502}, author = {Sekar, Pandiaraj and Anothumakkool, Bihag and Vijayakumar, Vidyanand and Lohgaonkar, Apurva and Kurungot, Sreekumar} } @article {45651, title = {Urinary proteome alterations in HER2 enriched breast cancer revealed by multipronged quantitative proteomics}, journal = {Proteomics}, volume = {16}, year = {2016}, month = {SEP}, pages = {2403-2418}, type = {Article}, abstract = {
Globally, breast cancer is the second most common cancer among women. Although biomarker discoveries through various proteomic approaches of tissue and serum samples have been studied in breast cancer, urinary proteome alterations in breast cancer are least studied. Urine being a noninvasive biofluid and a significant source of proteins, it has the potential in early diagnosis of breast cancer. This study used complementary quantitative gel-based and gel-free proteomic approaches to find a panel of urinary protein markers that could discriminate HER2 enriched (HE) subtype breast cancer from the healthy controls. A total of 183 differentially expressed proteins were identified using three complementary approaches, namely 2D-DIGE, iTRAQ, and sequential window acquisition of all theoretical mass spectra. The differentially expressed proteins were subjected to various bioinformatics analyses for deciphering the biological context of these proteins using protein analysis through evolutionary relationships, database for annotation, visualization and integrated discovery, and STRING. Multivariate statistical analysis was undertaken to identify the set of most significant proteins, which could discriminate HE breast cancer from healthy controls. Immunoblotting and MRM-based validation in a separate cohort testified a panel of 21 proteins such as zinc-alpha2-glycoprotein, A2GL, retinol-binding protein 4, annexin A1, SAP3, SRC8, gelsolin, kininogen 1, CO9, clusterin, ceruloplasmin, and alpha 1-antitrypsin could be a panel of candidate markers that could discriminate HE breast cancer from healthy controls.
}, keywords = {2D-DIGE, Biomedicine, Breast cancer, HER2 enriched, SWATH, Urinary biomarkers}, issn = {1615-9853}, doi = {10.1002/pmic.201600015}, author = {Gajbhiye, Akshada and Dabhi, Raju and Taunk, Khushman and Vannuruswamy, Garikapati and RoyChoudhury, Sourav and Adhav, Ragini and Seal, Shubhendu and Mane, Anupama and Bayatigeri, Santhakumari and Santra, Manas K. and Chaudhury, Koel and Rapole, Srikanth} } @conference { ISI:000382147300037, title = {Use genetic programming for selecting predictor variables and modeling in process identification}, booktitle = {2016 Indian Control Conference (ICC)}, year = {2016}, note = {2nd Indian Control Conference (ICC), Indian Inst Technol, Hyderabad, INDIA, JAN 04-06, 2016}, month = {JAN}, pages = {230-237}, publisher = {IEEE Control Syst Soc; Honeywell; Mathworks; ABB R \& D Div; GE; Mahindra Ecole Centrale}, organization = {IEEE Control Syst Soc; Honeywell; Mathworks; ABB R \& D Div; GE; Mahindra Ecole Centrale}, address = {345 E 47th ST, New York, NY 10017 USA}, abstract = {
Availability of an accurate and robust dynamic model is essential for implementing the model dependent process control. When first principles based modeling becomes difficult, tedious and/or costly, a dynamic model in the black-box form is obtained (process identification) by using the measured input-output process data. Such a dynamic model frequently contains a number of time delayed inputs and outputs as predictor variables. The determination of the specific predictor variables is usually done via a trial and error approach that requires an extensive computational effort. The computational intelligence (CI) based data-driven modeling technique, namely, genetic programming (GP) can search and optimize both the structure and parameters of a linear/nonlinear dynamic process model. It is also capable of choosing those predictor variables that significantly influence the model output. Thus usage of GP for process identification helps in avoiding the extensive time and efforts involved in the selection of the time delayed input-output variables. This advantageous GP feature has been illustrated in this study by conducting process identification of two chemical engineering systems. The results of the GP-based identification when compared with those obtained using the transfer function based identification clearly indicates the outperformance by the former method.
}, keywords = {dynamic model, genetic programming, predictor variable, process identification, Sensitivity analysis}, isbn = {978-1-4673-7993-9}, author = {Verma, Devendra and Goel, Purva and Patil-Shinde, Veena and Tambe, Sanjeev S.} } @article {42628, title = {Use of the term "crystal engineering" in the regulatory and patent literature of pharmaceutical solid forms. some comments}, journal = {Crystal Growth \& Design}, volume = {16}, year = {2016}, month = {AUG}, pages = {5585-5587}, doi = {10.1021/acs.cgd.6b01070}, author = {Desiraju, Gautam R. and Nangia, Ashwini} } @article { ISI:000371799000029, title = {Utilization of banana peel for the removal of benzoic and salicylic acid from aqueous solutions and its potential reuse}, journal = {Desalination and Water Treatment}, volume = {57}, number = {27}, year = {2016}, month = {JUN}, pages = {12717-12729}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
We report on the adsorptive removal of benzoic acid (BA) and salicylic acid (SA) using banana peel (BP), an abundantly available agricultural waste material, for the first time. BP was characterized by proximate analysis, FT-IR, scanning electron microscopy, BET surface area, and XRF. The number of basic sites on BP (4.9mmolg(-1)) is relatively more than acidic sites (0.75mmolg(-1)). The Langmuir uptake capacity values obtained are 6.62mgg(-1) for BA and 9.80mgg(-1) for SA. A mechanism for binding acid molecule to the BP surface is proposed.
}, keywords = {Adsorption, Banana peel, Benzoic acids, Salicylic acid, Wastewater treatment}, issn = {1944-3994}, doi = {10.1080/19443994.2015.1051589}, author = {Pathak, Pranav D. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article { ISI:000371102800019, title = {Validation of force fields of rubber through glass-transition temperature calculation by microsecond atomic-scale molecular dynamics simulation}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {7}, year = {2016}, month = {FEB}, pages = {1367-1379}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Microsecond atomic-scale molecular dynamics simulation has been employed to calculate the glass-transition temperature (T-g) of cis- and trans-1,4-polybutadiene (PB) and 1,4-polyisoprene (PI). Both all-atomistic and united-atom models have been simulated using force fields, already available in literature. The accuracy of these decade old force fields has been tested by comparing calculated glass-transition temperatures to the corresponding experimental values. T-g depicts the phase transition in elastomers and substantially affects various physical properties of polymers, and hence the reproducibility of T-g becomes very crucial from a thermodynamic point of view. Such validation using T-g also evaluates the ability of these force fields to be used for advanced materials like rubber nanocomposites, where T-g is greatly affected by the presence of fillers. We have calculated T-g for a total of eight systems, featuring all-atom and united-atom models of cis- and trans-PI and-PB, which are the major constituents of natural and synthetic rubber. Tuning and refinement of the force fields has also been done using quantum-chemical calculations to obtain desirable density and T-g. Thus, a set of properly validated force fields, capable of reproducing various macroscopic properties of rubber, has been provided. A novel polymer equilibration protocol, involving potential energy convergence as the equilibration criterion, has been proposed. We demonstrate that not only macroscopic polymer properties like density, thermal expansion coefficient, and T-g but also local structural characteristics like end-to-end distance (R) and radius of gyration (R-g) and mechanical properties like bulk modulus have also been equilibrated using our strategy. Complete decay of end-to-end vector autocorrelation function with time also supports proper equilibration using our strategy.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b10789}, author = {Sharma, Pragati and Roy, Sudip and Karimi-Varzaneh, Hossein Ali} } @article {43414, title = {Valorization of banana peel: a biorefinery approach}, journal = {Reviews in Chemical Engineering}, volume = {32}, year = {2016}, month = {DEC}, pages = {651-666}, abstract = {Banana peel (BP) is an agrowaste produced in large volumes annually, especially by food-processing industries; however, its disposal is of significant concern. However, recent research suggests that BP is a valuable source of bioactive compounds, which can be converted into value-added products. This article reviews the conversion process of value-added products from BP and provides an outline on the chemical composition of BP and its possible applications. In addition, we also discuss the - utilization of BP as a substrate to produce animal feed, biofertilizer, dietary fibers, clean energy, industrial enzymes, as well as its use in the synthesis of nanomaterials. Based on the research conducted so far, it is obvious that BP has a wide variety of applications, and thus, developing a biorefinery approach to adequately utilize BP will help realize its economic benefits to the fullest. Based on the valorization of BP, a scheme for BP biorefinery has been proposed. A material balance for BP biorefinery for 1-ton bone-dry BP is presented and our results show that 432 kg of protein or 170 kg of citric acid, 170 kg of pectin, 325 m(3) of ethanol, and 220 m(3) of methane can be produced.}, doi = {10.1515/revce-2015-0063}, author = {Pathak, Pranav D. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {45831, title = {Valorization of coffee bean waste: a coffee bean waste derived multifunctional catalyst for photocatalytic hydrogen production and electrocatalytic oxygen reduction reactions}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {AUG}, pages = {82103-82111}, type = {Article}, abstract = {
Here, we report the valorization of coffee bean waste (CBW) by producing nitrogen doped porous carbon (p-Cof) having both photocatalytic and electrocatalytic properties using a silica templating method. Morphological investigation of p-Cof reveals the presence of assemblies of highly porous flat carbon blocks. p-Cof exhibits a high surface area (1213 m(2) g(-1)) and a wide range of micro-and mesopores with good electrical conductivity. Along with this, the surface of p-Cof displays the presence of graphitic and pyridone-type nitrogen coordinations, which help p-Cof to perform as a multifunctional catalyst as revealed from its catalytic activities towards photocatalytic hydrogen production (PHP) and electrocatalytic oxygen reduction reactions. p-Cof produces 334 mu mol h(-1) g(-1) of hydrogen from water under visible light and 575 mmol h(-1) g(-1) of hydrogen under solar light irradiation with excellent stability. Along with this, p-Cof also displays improved oxygen reduction reaction (ORR) activity in alkaline medium. A better onset potential (0.91 V vs. RHE) and half-wave potential (0.75 V vs. RHE) are displayed by p-Cof compared to the catalyst derived from the simple annealing of CBW without employing the silica template. Along with the better electrochemical activity, p-Cof shows excellent ORR kinetics and electrochemical stability compared to the current state-of-the-art Pt/C.
}, issn = {2046-2069}, doi = {10.1039/c6ra14907c}, author = {Unni, SreeKuttan M. and George, Leena and Bhange, Siddheshwar N. and Devi, R. Nandini and Kurungot, Sreekumar} } @article { ISI:000374873100022, title = {Various types of separation membranes}, journal = {Current Science}, volume = {110}, number = {8}, year = {2016}, month = {APR}, pages = {1426-1438}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {
Membrane-based separation is a superior alternative to conventional processes in many separation problems of practical importance. For maximum effectiveness, both high selectivity and flux are desirable. This article summarizes the global efforts at designing new membrane materials, particularly carbon nanotube (CNT)-based membranes, to achieve the twin objectives mentioned above. Interest in CNT emanates from the excellent transport property of molecules through its frictionless smooth walls, with/without functionalization at the end tips. Permeation of water through graphene oxide (GO) channels, which are otherwise impermeable to solutes, has also generated considerable interest, and GO is being viewed as a promising material for separations. The performances of conducting polymers like polypyrrole, polyaniline, polythiophene-3, 4-ethylenedioxythiophene and their different composites have been studied as a function of changes in morphology and redox behaviour, and this aspect too is covered in the present article. Also, the dependence of the separation performances based on the size, charge and hydrophobic/hydrophilic properties has been discussed in detail. Advances in understanding will have an important bearing on future developments in separation science.
}, keywords = {carbon nanotube, conducting polymers, flux, graphene oxide, permeability, separation membranes}, issn = {0011-3891}, author = {Das, Debasree and Datta, Anindya and Contractor, Aliasgar Qutub} } @article { ISI:000369482900030, title = {Venkataraman Jagannathan (1921-2015)}, journal = {Current Science}, volume = {110}, number = {2}, year = {2016}, month = {JAN}, pages = {263}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Deshpande, Mukund V.} } @article { ISI:000371419200030, title = {Versatile Cu-II metal-organic framework exhibiting high gas storage capacity with selectivity for CO2: conversion of CO2 to cyclic carbonate and other catalytic abilities}, journal = {Chemistry-A European Journal}, volume = {22}, number = {10}, year = {2016}, month = {MAR}, pages = {3387-3396}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {
A linear tetracarboxylic acid ligand, H4L, with a pendent amine moiety solvothermally forms two isostructural metal-organic frameworks (MOFs) L-M (M=Zn-II, Cu-II). Framework L-Cu can also be obtained from L-Zn by post- synthetic metathesis without losing crystallinity. Compared with L-Zn, the L-Cu framework exhibits high thermal stability and allows removal of guest solvent and metal-bound water molecules to afford the highly porous, L-Cu. At 77K, L-Cu absorbs 2.57wt\% of H-2 at 1bar, which increases significantly to 4.67wt\% at 36bar. The framework absorbs substantially high amounts of methane (238.38cm(3)g(-1), 17.03wt\%) at 303K and 60bar. The CH4 absorption at 303K gives a total volumetric capacity of 166cm(3)(STP)cm(-3) at 35bar (223.25cm(3)g(-1), 15.95wt\%). Interestingly, the NH2 groups in the linker, which decorate the channel surface, allow a remarkable 39.0wt\% of CO2 to be absorbed at 1bar and 273K, which comes within the dominion of the most famous MOFs for CO2 absorption. Also, L-Cu shows pronounced selectivity for CO2 absorption over CH4, N-2, and H-2 at 273K. The absorbed CO2 can be converted to value-added cyclic carbonates under relatively mild reaction conditions (20bar, 120 degrees C). Finally, L-Cu is found to be an excellent heterogeneous catalyst in regioselective 1,3-dipolar cycloaddition reactions (click reactions) and provides an efficient, economic route for the one-pot synthesis of structurally divergent propargylamines through three-component coupling of alkynes, amines, and aldehydes.
}, keywords = {click reactions, CO2 absorption, cyclic carbonate, heterogeneous catalysis, metal-organic frameworks}, issn = {0947-6539}, doi = {10.1002/chem.201504747}, author = {De, Dinesh and Pal, Tapan K. and Neogi, Subhadip and Senthilkumar, S. and Das, Debasree and Sen Gupta, Sayam and Bharadwaj, Parimal K.} } @article { ISI:000380565100006, title = {Virtual screening techniques to probe the antimalarial activity of some traditionally used phytochemicals}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {19}, number = {7}, year = {2016}, month = {JUL}, pages = {572-591}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {
Malaria parasites show resistance to most of the antimalarial drugs and hence developing antimalarials which can act on multitargets rather than a single target will be a promising strategy of drug design. Here we report a new approach by which virtual screening of 292 unique phytochemicals present in 72 traditionally important herbs is used for finding out inhibitors of plasmepsin-2 and falcipain-2 for antimalarial activity against P. falciparum. Initial screenings of the selected molecules by Random Forest algorithm model of Weka using the bioassay datasets AID 504850 and AID 2302 screened 120 out of the total 292 phytochemicals to be active against the targets. Toxtree scan cautioned 21 compounds to be either carcinogenic or mutagenic and were thus removed for further analysis. Out of the remaining 99 compounds, only 46 compounds offered drug-likeness as per the {\textquoteleft}rule of five{\textquoteright} criteria. Out of ten antimalarial drug targets, only two target proteins such as 3BPF and 3PNR of falcipain-2 and 1PFZ and 2BJU of plasmepsin-2 are selected as targets. The potential binding of the selected 46 compounds to the active sites of these four targets was analyzed using MOE software. The docked conformations and the interactions with the binding pocket residues of the target proteins were understood by {\textquoteleft}Ligplot{\textquoteright} analysis. It has been found that 8 compounds are dual inhibitors of falcipain-2 and plasmepsin-2, with the best binding energies. Compound 117 (6aR, 12aS)-12a-Hydroxy-9-methoxy-2,3-dimethylenedioxy-8-prenylrotenone (Usaratenoid C) present in the plant Millettia usaramensis showed maximum molecular docking score.
}, keywords = {ADME, malaria, Molecular docking, molecular operating environment, Plasmodium falciparum, virtual screening, weka}, issn = {1386-2073}, doi = {10.2174/1386207319666160420141200}, author = {Shibi, Indira G. and Aswathy, Lilly and Jisha, Radhakrishnan S. and Masand, Vijay H. and Gajbhiye, Jayant M.} } @article { ISI:000368032100012, title = {Vitro and in silico antifungal efficacy of nitrogen- doped carbon nanohorn ( NCNH) against rhizoctonia solani}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {34}, number = {1}, year = {2016}, month = {JAN}, pages = {152-162}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {
We have investigated in vitro antifungal efficiency of nitrogen-doped carbon nanohorn (NCNH) against Rhizoctonia solani (R. solani) plant pathogenic fungi. NCNH with size of 50-60nm and concentrations of 10, 50, 100, and 150gmL(-1) were used. The results showed that growth of fungi in the presence of NCNH was significantly (p\>.05) inhibited at 150gmL(-1) (85.13 +/-.97) after 72h. The results were validated through computational approaches. Molecular docking analysis of NCNH with endochitinase protein of R. solani was performed to validate the potential of antifungal activity of NCNH. Docking results showed different conformations of interaction of NCNH with endochitinase enzyme. The conformation with least binding energy -13.54kcal/mol was considered further. It is likely that NCNH interacts with the pathogens by mechanically wrapping, which may be one of the major toxicity actions of NCNH against R. solani. The analysis showed that NCNH might interwinds to endochitinase of R. solani leading to the deactivation of the enzyme. To best of our knowledge, this is the first report of antifungal efficacy of NCNH against R. solani and provides useful information about the application of NCNH in resisting crop disease.
}, keywords = {docking, endochitinase, nitrogen-doped carbon nanohorn, Rhizoctonia solani}, issn = {0739-1102}, doi = {10.1080/07391102.2015.1018841}, author = {Dharni, Seema and Sanchita and Unni, SreeKuttan M. and Kurungot, Sreekumar and Samad, Abdul and Sharma, Ashok and Patra, Dharani Dhar} } @inbook { ISI:000375719300020, title = {What can simulations tell us about GPCRs: integrating the scales}, booktitle = {G Protein-Coupled Receptors: Signaling, Trafficking and Regulation}, series = {Methods in Cell Biology}, volume = {132}, year = {2016}, pages = {429-452}, publisher = {Elsevier Academic Press Inc.}, organization = {Elsevier Academic Press Inc.}, address = {525 B Street, Suite 1900, San Diego, CA 92101-4495 USA :}, abstract = {
The functional dynamics of G protein-coupled receptors (GPCRs) encompasses multiple spatiotemporal scales, ranging from femtoseconds to seconds and Angstroms to micrometers. Computational approaches, often in close collaboration with experimental methods, have been invaluable in unraveling GPCR structure and dynamics at these various hierarchical levels. The binding of natural and synthetic ligands to the wild-type and naturally occurring variant receptors have been analyzed by several computational methods. The activation of receptors from the inactive to the active state has been investigated by atomistic simulations and ongoing work on several receptors will help uncover general and receptor-specific mechanisms. The interaction of GPCRs with complex membranes that contain phospholipids and cholesterol have been probed by coarse-grain methods and shown to directly influence receptor association. In this chapter, we discuss computational approaches that have been successful in analyzing each scale of GPCR dynamics. An overview of these approaches will allow a more judicious choice of the appropriate method. We hope that an appreciation of the power of current computational approaches will encourage more critical collaborations. A comprehensive integration of the different approaches over the entire spatiotemporal scales promises to unravel new facets of GPCR function.
}, isbn = {978-0-12-803612-9; 978-0-12-803595-5}, issn = {0091-679X}, doi = {10.1016/bs.mcb.2015.11.007}, author = {Sengupta, Durba and Joshi, Manali and Athale, Chaitanya A. and Chattopadhyay, Amitabha}, editor = {Shukla, AK} } @article {43430, title = {Wide band gap and conducting tungsten carbide(WC) thin films prepared by hot wire chemical vapor deposition(HW-CVD) method}, journal = {Materials Letters}, volume = {183}, year = {2016}, month = {NOV}, pages = {315-317}, abstract = {
In this letter, we report synthesis of tungsten carbide (WC) thin films having wide band gap(3.22-3.3 eV) with high electrical conductivity (80-1260 S/cm) by HW-CVD using heated using heated W filament and Tetra-fluoro-methane (CF4) gas. Formation of WC was confirmed by low angle XRD, Raman spectroscopy and x-ray photoelectron spectroscopy. UV-Visible spectroscopy analysis revealed that the synthesized films have high transmission at wavelength 500 nm. Electrical properties measured using Hall measurement show that these films are semiconductor. The obtained results imply that the growth of WC thin films is mainly from the atomic species(W and C) evaporated from the hot filament. The HW-CVD opens a novel route to synthesize wide band gap and conducting WC at a cost-efficient way for DSSCs and hydrogen evolution reaction (HER). (C) 2016 Elsevier B. V. All rights reserved.
}, doi = {10.1016/j.matlet.2016.07.132}, author = {Pawbake, Amit and Waykar, Ravindra and Jadhavar, Ashok and Kulkarni, Rupali and Waman, Vaishali and Date, Abhijit and Late, Dattatray J. and Pathan, Habib and Jadkar, Sandesh} } @article {42825, title = {[3+2]-Annulation of platinum-bound azomethine ylides with distal C[double bond, length as m-dash]C bonds of N-allenamides}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JAN}, pages = {196-199}, type = {Article}, abstract = {
A Pt-catalyzed, highly regioselective reaction between N-allenamides and imino-alkynes leading to pyrrolo[1,2-a] indoles is described. This represents the first example of [3+2]-annulation of Pt-bound azomethine ylides with the distal CQC bond of N-allenamides. The mechanism of the reaction was established by computational studies.
}, doi = {10.1039/c6cc07874e}, author = {Chakrabarty, Indradweep and Inamdar, Suleman M. and Akram, Manjur O. and Gade, Amol B. and Banerjee, Subhrashis and Bera, Saibal and Patil, Nitin T.} } @article {43801, title = {4-Phenyl quinoline derivatives as potential serotonin receptor ligands with antiproliferative activity}, journal = {European Journal of Medicinal Chemistry}, volume = {136}, year = {2017}, month = {AUG}, pages = {246-258}, type = {Article}, abstract = {Antagonists of signaling receptors are often effective non-toxic therapeutic agents. Over the years, there have been evidences describing the role of serotonin or 5-hydroxytryptamine (5-HT) in development of cancer. Although there are reports on the antiproliferative effects of some serotonin receptor antagonists, there are very few investigations related to understanding their structure-activity relationships. In this study, we report the screening of a library of 4-phenyl quinoline derivatives for their antiproliferative activities. Preliminary docking studies indicated that these ligands had the ability to bind to two of the serotonin. receptors, 5-HT1B and 5-HT2B. The results of the in silico experiments were validated by performing in vitro studies on MCF-7 breast cancer cell line. The ethylpiperazine derivatives showed maximum toxicity against this cancer cell line. The compounds inhibited Calcium ion efflux (induced by serotonin) and ERK activation. One of the most active 4-phenyl quinoline derivatives (H3a) also induced apoptosis, thereby, suggesting the use of this scaffold as a potential anticancer drug. (C) 2017 Elsevier Masson SAS. All rights reserved.}, doi = {10.1016/j.ejmech.2017.05.002}, author = {Joshi, Pranaya V. and Sayed, Alim A. and RaviKumar, Ameeta and Puranik, Vedavati G. and Zinjarde, Smita S.} } @article {43932, title = {Abundance matters: role of albumin in diabetes, a proteomics perspective}, journal = {Expert Review of Proteomics}, volume = {14}, year = {2017}, month = {JUL}, type = {Article}, abstract = {Introduction: Human serum albumin (HSA) is a multifaceted protein with vital physiological functions. It is the most abundant plasma protein with inherent capability to bind to diverse ligands, and thus susceptible to various post-translational modifications (PTMs) which alter its structure and functions. One such PTM is glycation, a non-enzymatic reaction between reducing sugar and protein leading to formation of heterogeneous advanced glycation end products (AGEs). Glycated albumin (GA) concentration increases significantly in diabetes and is implicated in development of secondary complications. Areas covered: In this review, we discuss in depth formation of GA and its consequences, approaches used for characterization and quantification of GA, milestones in GA proteomics, clinical relevance of GA as a biomarker, significance of maintaining abundant levels of albumin and future perspectives. Expert commentary: Elevated GA levels are associated with development of insulin resistance as well as secondary complications, in healthy and diabetic individuals respectively. Mass spectrometry (MS) based approaches aid in precise characterization and quantification of GA including early and advanced glycated peptides, which can be useful in prediction of the disease status. Thus GA has evolved to be one of the best candidates in the pursuit of diagnostic markers for prediction of prediabetes and diabetic complications.}, doi = {10.1080/14789450.2017.1352473}, author = {Bhat, Shweta and Jagadeeshaprasad, Mashanipalya G. and Venkatasubramani, Vinashya and Kulkarni, Mahesh J.} } @article {43833, title = {Access to fused tricyclic gamma-butyrolactones, a natural product -like scaffold}, journal = {Journal Of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUL}, pages = {7614-7620}, type = {Article}, abstract = {Serendipitous findings of an acid mediated skeletal rearrangement of bicydo-beta-ketoester having cyclopropyl ring to access fused tricyclic gamma-butyrolactones has been described. This novel transformation has been optimized to 30 mol\% p-toluenesulfonic acid (p-TSA) in toluene using Dean Stark apparatus, where the aldol condensation, cyclopropyl ring opening followed by cyclization took place in a single-pot operation. The resulting tricyclic compounds are interesting chemotype with natural product resemblance and may find useful applications in the future.}, doi = {10.1021/acs.joc.7b00794}, author = {Kalmode, Hanuman P. and Handore, Kishor L. and Reddy, D. Srinivasa} } @article {43716, title = { Acemetacin cocrystal structures by powder X-ray diffraction}, journal = {Iucrj}, volume = {4}, year = {2017}, month = {MAY}, pages = {206-214}, type = {Article}, abstract = {Cocrystals of acemetacin drug (ACM) with nicotinamide (NAM), p-aminobenzoic acid (PABA), valerolactam (VLM) and 2-pyridone (2HP) were prepared by melt crystallization and their X-ray crystal structures determined by high-resolution powder X-ray diffraction. The powerful technique of structure determination from powder data (SDPD) provided details of molecular packing and hydrogen bonding in pharmaceutical cocrystals of acemetacin. ACM-NAM occurs in anhydrate and hydrate forms, whereas the other structures crystallized in a single crystalline form. The carboxylic acid group of ACM forms theacid-amide dimer three-point synthon R-3(2)(9) R-2(2)(8) R-3(2)(9) with three different syn amides (VLM, 2HP and caprolactam). The conformations of the ACM molecule observed in the crystal structures differ mainly in the mutual orientation of chlorobenzene fragment and the neighboring methyl group, being anti (type I) or syn (type II). ACM hydrate, ACM-NAM, ACM-NAM-hydrate and the piperazine salt of ACM exhibit the type I conformation, whereas ACM polymorphs and other cocrystals adopt the ACM type II conformation. Hydrogen-bond interactions in all the crystal structures were quantified by calculating their molecular electrostatic potential (MEP) surfaces. Hirshfeld surface analysis of the cocrystal surfaces shows that about 50\% of the contribution is due to a combination of strong and weak O center dot center dot center dot H, N center dot center dot center dot H, Cl center dot center dot center dot H and C center dot center dot center dot H interactions. The physicochemical properties of these cocrystals are under study.}, doi = {10.1107/S2052252517002305}, author = {Bolla, Geetha and Chernyshev, Vladimir and Nangia, Ashwini} } @article {43493, title = {Acetone and methanol fruit extracts of terminalia paniculata inhibit HIV-1 infection in vitro}, journal = {Natural Product Research}, volume = {31}, year = {2017}, month = {JAN}, pages = {1468-1471}, abstract = {In this study, we report the in vitro anti-HIV1 activity of acetone and methanol extracts of fruit of Terminalia paniculata. Cytotoxicity tests were conducted on TZM-bl cells and peripheral blood mononuclear cells (PBMC), the CC50 values of both the extracts were 260g/mL. Using TZM-bl cells, the extracts were tested for their ability to inhibit replication of two primary isolates HIV-1 (X4, Subtype D) and HIV-1 (R5, Subtype C). The activity against HIV-1 primary isolate (R5, Subtype C) was confirmed using activated PBMC and by quantification of HIV-1 p24 antigen. Both the extracts showed anti-HIV1 activity in a dose-dependent manner. The EC50 values of the acetone and methanol extracts of T. paniculata were 10.3g/mL. The enzymatic assays were performed to determine the mechanism of action which indicated that the anti-HIV1 activity might be due to inhibition of reverse transcriptase (77.7\% inhibition) and protease (69.9\% inhibition) enzymes. }, doi = {10.1080/14786419.2016.1258561}, author = {Durge, Ankita and Jadaun, Pratiksha and Wadhwani, Ashish and Chinchansure, Ashish A. and Said, Madhukar and Thulasiram, H. V. and Joshi, Swati P. and Kulkarni, Smita S.} } @article {45709, title = {Achmatowicz reaction: A versatile tool in bioactive natural products synthesis}, journal = {Current Organic Chemistry}, volume = {21}, year = {2017}, month = {APR}, pages = {503-545}, type = {Article}, abstract = {
Achmatowicz reaction has emerged as an efficient tool in organic synthesis since its discovery in 1971 by Achmatowicz Jr. The original protocol went through several advantageous variations. Biocatalytic and metal catalyzed versions of this reaction are some of the significant achievements, which further enhanced its effectiveness. The pyranone product of the Achmatowicz reaction is a versatile building block for the synthesis of bioactive scaffolds, drugs and natural products. The present review covers the application of the Achmatowicz reaction in the synthesis of natural products and bioactive molecules reported from 1971 to date. It has been divided into seven sections on the basis of the core structures of the natural products synthesized utilizing the Achmatowicz reaction. We believe that this comprehensive review will attract many more organic chemists to explore its utility in organic synthesis, especially in the synthesis of bioactive natural products as well as drugs in their efficient and atom economical synthesis.
}, keywords = {Achmatowicz reaction, carbohydrates, Furanols, Natural products, pyranones, Total synthesis}, issn = {1385-2728}, doi = {10.2174/1385272821666161208154754}, author = {Mahajan, Pankaj S. and Humne, Vivek T. and Mhaske, Santosh B.} } @article {43882, title = {Activity tuning of cobalt ferrite nanoparticles anchored on N-doped reduced graphene oxide as a potential oxygen reduction electrocatalyst by Zn substitution in the spinel matrix}, journal = {Chemistry Select}, volume = {2}, year = {2017}, month = {SEP}, pages = {7845-7853}, type = {Article}, abstract = {
Development of highly efficient and durable ORR catalysts by using non-platinum group metals (such as Co, Fe, Mn, and Zn) is a challenging task in the forward path towards the realization of low-cost energy devices in the commercial stream. The present work deals with an effective strategy wherein an efficient Pt-free electrocatalyst for oxygen reduction reaction (ORR) is prepared by stoichiometrically substituting some fraction of Fe with Zn in cobalt ferrite and anchoring these spinel nanoparticles on nitrogen doped reduced graphene oxide (N-rGO). Zn substitution is found to be significantly altering the ratio of Fe2+/Fe3+ in the cobalt ferrite nanocrystal system with a concomitant promotional influence on its electrocatalytic activity towards ORR. The nanoparticle composition with a Co, Fe and Zn molar ratio of 1.0:1.7:0.3, represented by the formula CoFe1.7Zn0.3O4(CFZn(0.3)), supported over N-rGO has shown 10 mV and 20 mV positive shift in the onset and half-wave potentials, respectively, for ORR in 0.1 M KOH in comparison to the nanoparticles of CoFe2O4 supported over N-rGO (CF/N-rGO). The optimum Zn substitution is found to be narrowing down the difference with the state-of-the-art Pt/C for ORR by 100 and 110 mV in terms of the onset and half-wave potentials, respectively. Most significantly, the homemade catalyst is found to be clearly outperforming the Pt catalyst in terms of the limiting current density and electrochemical durability.
}, keywords = {Carbon Nano-fiber, Cathod Catalyst, CoFe2O4, Evolution, Magnetic-properties, Membrane fuel- Cell, Metal-Air Batteries, N-doped graphene, Nanocrystalline, nanocrystals, oxygen reduction reaction, performance, Platinium, solvothermal synthesis, Zn substituted cobalt ferrite}, issn = {2365-6549}, doi = {10.1002/slct.201701684}, author = {Kashyap, Varchaswal and Singh, Santosh K. and Kurungot, Sreekumar} } @article {43999, title = {Acyclic αγα-tripeptides with fluorinated- and nonfluorinated-furanoid sugar framework: importance of fluoro substituent in reverse-turn induced self-assembly and transmembrane ion-transport activity}, journal = {Journal Of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUN}, chapter = {5826-5834}, abstract = {
Acyclic αγα-tripeptides derived from fluorinated-furanoid sugar amino acid frameworks act as reverse-turn inducers with a U-shaped conformation, whereas the corresponding nonfluorinated αγα-tripeptides show random peptide conformations. The NMR studies showed the presence of bifurcated weak intramolecular hydrogen bonding (F{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}HN) and N+{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}Fδ- charge-dipole attraction compel the amide carbonyl groups to orient antiperiplanar to the C-F bond, thus, demonstrating the role of the fluorine substituent in stabilizing the U-shaped conformation. The NOESY data indicate that the U-shaped tripeptides self-assembly formation is stabilized by the intermolecular hydrogen bonding between C=O{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}HN with antiparallel orientation. This fact is supported by ESI-MS data, which showed mass peaks up to the pentameric self-assembly, even in the gas phase. The morphological analysis by FE-SEM, on solid samples, showed arrangement of fibers into nanorods. The antiparallel self-assembled pore of the fluorinated tripeptides illustrates the selective ion-transport activity. The experimental findings were supported by DFT studies.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b00661}, author = {Burade, S. S. and Shinde, S. V. and Bhuma, N. and Kumbhar, N. and Kotmale, A. and Rajamohanan, P. R. and Gonnade, R. G. and Talukdar, P. and Dhavale, D. D.} } @article {43830, title = {AgOTf-catalyzed dehydrative [3+2] annulation of aziridines with 2-naphthols}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUL}, pages = {8219-8222}, abstract = {The reaction of 2-naphthols with aziridines in the presence of AgOTf resulting in a dehydrative, formal [3+2] annulation is reported. The reaction allows the synthesis of functionalized benzoindolines, and tolerates a broad range of functional groups. A preliminary study on themechanism of this reaction indicates an SN1-type ring-opening of aziridines. This method is demonstrated for the one-pot synthesis of benzoindoles.}, doi = {10.1039/c7cc03425c}, author = {Kaicharla, Trinadh and Jacob, Anu and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {43534, title = {Agro-industrial wastes for production of biosurfactant by bacillus subtilis ANR 88 and its application in synthesis of silver and gold nanoparticles}, journal = {Frontiers in Microbiology}, volume = {8}, year = {2017}, month = {MAR}, pages = {Article Number: 492}, type = {MAR}, abstract = {
Biosurfactants, surface-active amphiphilic compounds, despite having a wide range of applications, have a high cost of production, which severely restricts their use. For cheaper production of biosurfactant, we investigated the potential of the indigenously isolated biosurfactant producing organism, Bacillus subtilis ANR 88, to grow on different cheap carbon sources (molasses, whey, and extracts of potato peels, orange peels, banana peels, and bagasse). We found that, B. subtilis ANR 88 used significant amounts of total sugar to produce cell biomass and biosurfactant. The biosurfactant production in minimal medium containing glucose as sole source of carbon was 0.207 g/l and the same with molasses as carbon source was 0.241 g/l. With whey as carbon source, isolate failed to produce biosurfactant. Amongst the extracts of the agro-wastes, the extracts of bagasse and orange peels gave 0.127 and 0.089 g/l of biosurfactant respectively. One-variable-at-a-time (OVAT) studies carried out to optimize the production of biosurfactant by B. subtilis ANR 88 resulted into maximum biosurfactant yield of 0.513 g/l in medium: molasses 4\%, ammonium ferric citrate 0.25\%, pH 7. Plackett-Burman design based statistical method for optimization increased the production of biosurfactant to 0.746 g/l, which is 3.6-fold of that produced on glucose. The biosurfactant produced by B. subtilis ANR 88 was analyzed by Fourier Transform Infrared Spectroscopy (FT-IR); it showed that the biosurfactant contained alkyl as well as peptide groups. The biosurfactant of B. subtilis ANR 88 was found effective in the synthesis of silver as well as gold nanoparticles in the total absence of conventional chemical reducing agents. Interestingly, nanoparticles produced were almost uniform in their size and shapes i.e., spherical silver (4-18 nm) and hexagonal gold nanoparticles (40-60 nm), as evident in TEM images.
}, doi = {10.3389/fmicb.2017.00492}, author = {Rane, Ashwini N. and Baikar, Vishakha V. and Kumar, D. V. Ravi and Deopurkar, Rajendra L.} } @article {43979, title = {Allostreptomyces indica sp. nov., isolated from India}, journal = {Journal of Antibiotics}, volume = {70}, year = {2017}, month = {OCT}, pages = {1000-1003}, type = {Journal Article}, abstract = {A novel actinobacterium, designated strain YIM 75704T, was isolated from a limestone quarry located at Gulbarga, Karnataka, India. The novel strain has showed typical morphological and chemotaxonomic characteristics of the family Streptomycetaceae. Comparison of 16S rRNA gene sequences indicated that this strain represents a novel member of the family Streptomycetaceae and exhibited 99.0\% 16S rRNA gene sequence similarities with the type species of the recently described novel genus Allostreptomyces, that is, Allostreptomyces psammosilenae, whereas other species of Streptomyces were below 95\% sequence similarity. The cell hydrolysates contained the LL-isomer of diaminopimelic acid and the predominant quinones were MK-9 (H 6, H 8 and H 4). The polar lipid profile consisted of diphosphatidylglycerol, phosphatidylinositolmannosides and three unknown phospholipids. The DNA G+C content was 75.0 mol\%. A polyphasic study of the strain with morphological, phenotypic, phylogenetic and with DNA-DNA hybridization evidence with related members showed that this strain represents novel species of Allostreptomyces for which the name Allostreptomyces indica sp. nov., is proposed. The type strain is YIM 75704 T (= DSM 41985T =CCTCC AA 209051T = NCIM 5485T).}, doi = { 10.1038/ja.2017.82}, author = {Sahu, A.K.}, editor = {Quadri, S.R} } @article {45684, title = {All-solid-state-supercapacitor possessing a non-aqueous gel polymer electrolyte prepared using a UV-assisted in situ polymerization strategy}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {MAY}, pages = { 8461-8476}, type = {Article}, abstract = {
In this work, we report the synthesis of a high ionic conducting and mechanically stable non-aqueous gel polymer electrolyte (GPE) in which a liquid electrolyte (LiClO4/propylene carbonate) is entrapped in a poly(2-hydroxy-3-phenoxy propyl acrylate) matrix by a UV assisted in situ polymerisation strategy. Unlike conventional dry and quasi-solid non-aqueous GPEs, our system (H-P-L-3M-80\%) shows an excellent ionic conductivity of 4.7 x 10(-3) S cm(-1), a value which is comparable to those of non-aqueous liquid electrolytes. The high mechanical stability of GPE arises due to the covalent cross-links present in the polymer matrix as well as the reversible non-covalent cross-links between the solvent and the polymer matrix through the Li+ cations. Subsequently, the GPE has been prepared in situ on the inner and the outer surface of the electrode material to fabricate a 2.0 V supercapacitor device with a high mass loading (3.8 mg cm(-2)) of the active material (YP-80F, a high surface area porous carbon). The device shows an equivalent series resistance (ESR) as low as 2.2 Omega, which is close to that of the device fabricated from the corresponding liquid electrolyte and is far better than those of the devices evolved from conventional GPEs and dry polymer electrolytes. The mass specific capacitance of 113 F g(-1) obtained at a current density of 2 mA cm(-2) shows 81\% retention even at a high current density of 20 mA cm(-2). The scalability of the strategy is demonstrated by fabricating a large area (area = 16 cm(2), loading = 4.0 mg cm(-2)) all-solid-state flexible-supercapacitor (H-P-L-3M-S-4.0) device which can be operated at a potential window of 2.5 V. The device was found to show a mass specific capacitance of 111 F g(-1) at a current density of 1 mA cm(-2) (0.25 A g(-1)), all the while, retaining a very low ESR of 2.2 Omega. The potential of the strategy to mimic the liquid-like electrode-electrolyte interface, augmented with the ability to tune further, opens up new horizons for energy storage devices.
}, doi = {10.1039/c7ta01514c}, author = {Vijayakumar, V. and Anothumakkool, B. and Torris, A. T. A. and Nair, S. B. and Badiger, M. V. and Kurungot, S.} } @article {44156, title = {Alternatively packed dry molten globule-like intermediate in the native state ensemble of a multidomain protein}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {OCT}, pages = {9336-9347}, type = {Article}, abstract = {It has been difficult to quantify the degree of side-chain conformational heterogeneity in the native (N) state ensemble of proteins and the relative energetic contributions of the side-chain packing and the hydrophobic effect in protein stability. Here, we show using multiple site specific spectroscopic probes and tools of thermodynamics that the N state ensemble of a multidomain protein contains an equilibrium intermediate (I) whose interdomain region resembles a dry molten globule. In the I state, a tryptophan residue in the interdomain region is alternatively packed, but its secondary structure and intradomain packing are N-like. The I state also has a larger interdomain distance, but the domain-domain interface is dry and molten. Our results indicate that hydrophobic desolvation and side-chain packing are decoupled during protein folding and that interdomain packing interactions have an important energetic contribution in protein stability. Dynamic interconversion between alternatively packed N-like states could be important for multiple allosteric and ligand binding functions of this protein.}, doi = {10.1021/acs.jpcb.7b07032}, author = {Mishra, Prajna and Jha, Santosh Kumar} } @article {44032, title = {Amaranthus caudatus lectin with polyproline II fold: conformational and functional transitions and molecular dynamics}, journal = {Journal of biomolecular Structure \& Dynamics}, volume = {1}, year = {2017}, month = {JUL}, type = {Article}, abstract = {Polyproline II (PPII) fold, a peculiar structural element was detected in the Amaranthus caudatus seed lectin (ACL) based on far UV circular dichroism spectrum, conformational transitions of the lectin and a distinct isodichroic point in thermal denaturation. It was confirmed by using PolyprOnline database to estimate the percentage of amino acids contributing to PPII fold and showed the values as 13.5\% and 13.9\% for PROSS and XTLSSTR, respectively. Investigations of the functional and conformational transitions of ACL during thermal, pH and guanidine hydrochloride (GdnHCl) induced denaturation were carried out using biochemical and biophysical techniques and molecular dynamics (MD) simulations approach. The lectin got aggregated at 60 {\textdegree}C with instantaneous structural alterations. The aggregation-prone regions in ACL were predicted using online servers viz. AGGRESCAN, AmylPred, FoldAmyloid and Waltz that were represented by Visual Molecular Dynamics tools. Nine conserved regions were identified by these softwares as being {\textquoteleft}hot-spots{\textquoteright} for aggregation. MD simulation studies of the lectin at 60 {\textdegree}C revealed increase in radius of gyration. The loss of PPII fold in 2.0 M GdnHCl was reversible. The partially unfolded intermediate of ACL with diminished PPII fold formed at pH 1.0 was stable up to 90 {\textdegree}C. The polyproline II fold has been rarely detected in lectins, ACL being the second after the potato lectin.}, doi = {10.1080/07391102.2017.1345328}, author = {Yadav, Priya and Shahane, Ganesh and Gaikwad, Sushama M.} } @article {42892, title = {Ambient CO oxidation on in-situ generated Co3O4 spinel surfaces with random morphology}, journal = {ChemistrySelect}, year = {2017}, month = {JAN}, pages = {431{\textendash}432}, abstract = {
The influence of the Co3O4 morphology on its redox behavior and catalytic performance in the CO oxidation reaction is studied. Three different Co3O4 morphologies were synthesized by precipitation and hydrothermal methods. TEM and SEM observations clearly show the different obtained morphologies: rods, wires and a mixture of plates and cubes. The textural properties depend on the morphology and the redox ones on the particle size. XRD analysis reveals a spinel structure in all solids but a preferential exposition of the [110] plane is presented in the Co3O4 rods. This preferential exposition, along with its higher specific surface area provides the rods with more efficient oxygen storage capacity resulting in an excellent catalytic performance compared to the other two morphologies.
}, doi = {10.1002/slct.201602010}, author = {Dubey, Anjani and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @article {44018, title = {Ammonia-modified graphene sheets decorated with magnetic Fe3O4 nanoparticles for the photocatalytic and photo-Fenton degradation of phenolic compounds under sunlight irradiation}, journal = {Journal of hazardous materials }, volume = {325}, year = {2017}, month = {NOV}, type = {Article}, abstract = {Synthesis of easily separable and eco-friendly efficient catalyst with both photocatalytic and photo-Fenton degradation properties is of great importance for environment remediation application. Herein, ammonia-modified graphene (AG) sheets decorated with Fe3O4 nanoparticles (AG/Fe3O4) as a magnetically recoverable photocatalyst by a simple in situ solution chemistry approach. First, we have functionalized graphene oxide (GO) sheets by amide functional group and then Fe3O4 nanoparticles (NPs) are doped onto the functionalized GO surface. The AG/Fe3O4 nanocomposite showed efficient photocatalytic activity towards degradation of phenol (92.43\%), 2-nitrophenol (2-NP) (98\%) and 2-chlorophenol (2-CP) (97.15\%) within 70{\textendash}120 min. Consequently, in case of photo-Fenton degradation phenomenon, 93.56\% phenol, 98.76\% 2-NP and 98.06\% of 2-CP degradation were achieved within 50{\textendash}80 min using AG/Fe3O4 nanocomposite under sunlight irradiation. The synergistic effect between amide functionalized graphene and Fe3O4 nanoparticles (NPs) enhances the photocatalytic activity by preventing the recombination rate of electron-hole-pair in Fe3O4 NPs. Furthermore, the remarkable reusability of the AG/Fe3O4 nanocomposite was observed up to ten cycles during the photocatalytic degradation of these phenolic compounds.}, doi = {10.1016/j.jhazmat.2016.11.023}, author = {Boruah, Purna K. and Sharma, Bhagyasmeeta and Karbhal, Indrapal and Shelke, Manjusha V. and Das, Manash R.} } @article {43825, title = {Amphi-functional mesoporous silica nanoparticles for dye separation}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {JUL}, pages = {14914-14921}, type = {Article}, abstract = {Synthesis of amphi-functional mesoporous silica nanoparticles (similar to 80 nm) by stepwise chemical modifications of outer and inner pore surfaces is reported. These materials display a clear "Janus" like character and are able to selectively and completely separate hydrophobic dyes form a mixture of dyes. Our results clearly suggest a clear partition of more hydrophobic dyes into the pores from a mixture of two dyes. In addition this material displays a remarkable recycling ability for 10 cycles with up to similar to 99\% dye removal from water.}, doi = {10.1039/c7ta03904b}, author = {Shinde, Pravin and Sen Gupta, Sayam and Singh, Baljeet and Polshettiwar, Vivek and Prasad, Bhagavatula L. V.} } @article {43747, title = {Analysis of electrical and thermal conductivities of polyethersulfone-graphite based hybrid nanocomposites}, journal = {Macromolecular Research}, volume = {25}, year = {2017}, month = {APR}, pages = {311-316}, type = {Article}, abstract = {Polyethersulfone (PES)-7 wt\% graphite- x wt\% filler (carbon black (CB), carbon nanofiber (CNF), expanded graphite (ExGr)) hybrid composites are synthesized by solution blending route. The electrical percolation threshold in hybrid composites varies exponentially with the aspect ratio of the second conducting filler. The aspect ratio of the second conducting filler has been found to vary in the order CB < CNF < ExGr. The percolation threshold is identified at 0.05 wt\%, 0.4 wt\%, 1.3 wt\% for ExGr, CNF and CB added PES-7 wt\% graphite composites. Through plane thermal conductivity of PES-x wt\% graphite-y wt\% CB (x=10, 20, 30, 40, 50, 60, y=0, 3, 7) hybrid composites has been found to increase with the addition of CB. Thermal conductivity has been increased to 0.42 W/m-K when 7 wt\% CB is added to PES-60 wt\% graphite from 0.2 W/m-K. Reduction of interparticular distance with the increased loading of CB facilitates better thermal transport. Aspect ratios of second conducting fillers have been found out from transmission electron microscopy and scanning electron microscopy analysis.}, doi = {10.1007/s13233-017-5045-5}, author = {Ramanujam, B. T. S. and Radhakrishnan, S. and Deshpande, Shripad D.} } @article {43933, title = {Anti-microbial activity of chrysomycin a produced by streptomyces sp. against mycobacterium tuberculosis}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {JUL}, pages = {36335-36339}, type = {Article}, abstract = {Limited efficacy of the BCG (Bacillus Calmette{\textendash}Gu{\'e}rin) vaccine against adult tuberculosis and the emergence of resistance to existing anti-tuberculosis drugs compel discovery of novel antibiotics against Mycobacterium tuberculosis. Actinomycetes are still an attractive platform for the discovery of new antimicrobials, especially from untapped natural hotspots, despite the belief that they are an exhausted resource after repeated re-discoveries. Herein we report the isolation and identification of chrysomycin A from an actinomycete isolated from a coastal area in Kerala. We show for the first time that it has antimycobacterial activity. It was found to be bactericidal to planktonic and intracellular M. tuberculosis with an MIC of 3.125 μg mL$^{-}${\textonesuperior}; it is non-hemolytic and has negligible cytotoxicity. The actinomycete that produces chrysomycin A was found to be a Streptomyces sp. through 16S rRNA gene sequencing.}, doi = {10.1039/C7RA05576E}, author = {Balaji, Muralikrishnan and Dan, Vipin Mohan and Joseph, Vinodh and Jamsheena, Vellekkatt and Ramachandran, Ranjit and Thomas, Sabu and Dastager, Syed Gulam and Kumar, K. Santhosh and Lankalapalli, Ravi Shankar and Kumar, R. Ajay} } @article {45677, title = {Anti-proliferative effect of novel primary cetyl alcohol derived sophorolipids against human cervical cancer cells HeLa}, journal = {Plos One}, volume = {12 }, year = {2017}, month = {APR}, pages = {e0174241}, type = {Article}, abstract = {Sophorolipids (SLs) are glycolipid biosurfactants that have been shown to display anticancer activity. In the present study, we report anti-proliferative studies on purified forms of novel SLs synthesized using cetyl alcohol as the substrate (referred as SLCA) and their anticancer mechanism in human cervical cancer cells. Antiproliferative effect of column purified SLCA fractions (A, B, C, D, E and F) was examined in panel of human cancer cell lines as well as primary cells. Among these fractions, SLCA B and C significantly inhibited the survival of HeLa and HCT 116 cells without affecting the viability of normal human umbilical vein endothelial cells (HUVEC). The two fractions were identified as cetyl alcohol sophorolipids with non-hydroxylated tail differing in the degree of acetylation on sophorose head group. At an IC50 concentration SLCA B (16.32 mu g ml(-1)) and SLCA C (14.14 mu g ml(-1)) blocked the cell cycle progression of HeLa cells at G1/S phase in time-dependent manner. Moreover, SLCA B and SLCA C induced apoptosis in HeLa cells through an increase in intracellular Ca2+ leading to depolarization of mitochondrial membrane potential and increase in the caspase-3, -8 and -9 activity. All these findings suggest that these SLCAs could be explored for their chemopreventive potential in cervical cancer.}, doi = {10.1371/journal.pone.0174241}, author = {Nawale, Laxman and Dubey, Parul and Chaudhari, Bhushan and Sarkar, Dhiman and Prabhune, Asmita} } @article {43546, title = {Application of unusual grignard reaction for the stereoselective synthesis of antidepressant drug (R)-(-)-venlafaxine}, journal = {Synthesis-Stuttgart}, volume = {49}, year = {2017}, month = {MAR}, pages = {1410-1418}, abstract = {An enantioselective synthesis of antidepressant drug (R)-(-)-venlafaxine is accomplished as an application of recently explored unusual Grignard reaction. An innovative method for the generation of chirality at extremely reactive benzylic center along with determination of absolute stereochemistry has been discussed. The key steps involved in the synthesis include Sharpless asymmetric dihydroxylation for the induction of chirality and an unusual Grignard reaction.}, doi = {10.1055/s-0036-1588911}, author = {Chavan, Subhash P. and Khatod, Harshali S.} } @article {45702, title = {Aromatic polyesters containing pendent 4-(phenylsulfonyl)phenyl groups: synthesis and characterization}, journal = {Journal of Polymer Research}, volume = {24}, year = {2017}, month = {MAR }, pages = {57}, type = {Article}, abstract = {
A new bisphenol, 1,1-bis-[(4-hydroxyphenyl)-1-(4-phenylsulfonyl) phenyl)] ethane (DPSBP) was synthesized starting from diphenylsulfide and was characterized by spectroscopic methods. DPSBP was polycondensed with isophthalic acid chloride (IPC), terephthalic acid chloride (TPC) and a mixture of IPC and TPC (50: 50 mol\%) by phase-transfer catalysed interfacial polymerization method to obtain aromatic polyesters containing pendent 4-(phenylsulfonyl)phenyl groups. A series of copolyesters was also obtained by polycondensation of varying molar proportions of DPSBP and bisphenol-A (BPA) with TPC. (Co) polyesters exhibited inherent viscosities in the range 0.56-1.57 dLg(-1) and number average molecular weights (Mn) were in the range 28,650-80,230 g/mol. Polyesters dissolved readily in common organic solvents such as dichloromethane, chloroform, tetrahydrofuran and aprotic polar solvents such as N-methylpyrrolidone, and N, N-dimethylacetamide. Tough, transparent and flexible films of polyesters could be cast from their chloroform solutions. X-Ray diffraction studies indicated amorphous nature of aromatic polyesters. Polyesters showed T-g values in the range 223-257 degrees C while T-10 values were in the range of 469-484 degrees C indicating their excellent thermal stability.
}, keywords = {Aromatic polyesters, Bulky pendent group, solubility, thermal stability}, issn = {1022-9760}, doi = {10.1007/s10965-017-1217-4}, author = {Bapat, Snehalata P. and Jadhav, Sushilkumar A. and Valsange, Nitin G. and Tawade, Bhausaheb V. and Honkhambe, Pandurang N. and Chavan, Nayaku N. and Wadgaonkar, Prakash P.} } @article {43949, title = {Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {MAY}, pages = {515-531}, type = {Article}, abstract = {
Abstract: Molecular Property Diagnostic Suite (MPDS TB) is a web tool (http://mpds.osdd.net) designed to assist the in silico drug discovery attempts towards Mycobacterium tuberculosis (Mtb). MPDS TB tool has nine modules which are classified into data library (1{\textendash}3), data processing (4{\textendash}5) and data analysis (6{\textendash}9). Module 1 is a repository of literature and related information available on the Mtb. Module 2 deals with the protein target analysis of the chosen disease area. Module 3 is the compound library consisting of 110.31 million unique molecules generated from public domain databases and custom designed search tools. Module 4 contains tools for chemical file format conversions and 2D to 3D coordinate conversions. Module 5 helps in calculating the molecular descriptors. Module 6 specifically handles QSAR model development tools using descriptors generated in the Module 5. Module 7 integrates the AutoDock Vina algorithm for docking, while module 8 provides screening filters. Module 9 provides the necessary visualization tools for both small and large molecules. The workflow-based open source web portal, MPDS TB 1.0.1 can be a potential enabler for scientists engaged in drug discovery in general and in anti-TB research in particular. Graphical Abstract: SYNOPSIS: A web-based MPDS TB Galaxy tool is developed for assessing therapeutic potential of molecules. MPDS TB is categorized into Data Library, Data Processing and Data Analysis. It can be a potential enabler for scientists engaged in drug discovery in general and in anti-TB research in particular. [Figure not available: see fulltext.] {\textcopyright} 2017, Indian Academy of Sciences.
}, keywords = {chemical analysis, Chemoinformatics, computational chemistry, Diagnosis, Drug discovery portal, Information analysis, Libraries, Molecular graphics, Molecules, Neglected diseases, Open science, Portals, tuberculosis, Web-based technology, Websites}, issn = {0974-3626}, doi = {10.1007/s12039-017-1268-4}, author = {Gaur, A. S. and Bhardwaj, A. and Sharma, A. and John, L. and Vivek, M. R. and Tripathi, N. and Bharatam, P. V. and Kumar, R. and Janardhan, S. and Mori, A. and Banerji, A. and Lynn, A. M. and Hemrom, A. J. and Passi, A. and Singh, A. and Kumar, A. and Muvva, C. and Madhuri, C. and Choudhury, C. and Kumar, D. A. and Pandit, D. and Bharti, D. R. and Kumar, D. and Singam, E. A. and Raghava, G. P. and Sailaja, H. and Jangra, H. and Raithatha, K. and Tanneeru, K. and Chaudhary, K. and Karthikeyan, M. and Prasanthi, M. and Kumar, N. and Yedukondalu, N. and Rajput, N. K. and Saranya, P. S. and Narang, P. and Dutta, Prantu and Krishnan, R.} } @article {45660, title = {Auger decay rates of core hole states using equation of motion coupled cluster method}, journal = {Chemical Physics}, volume = {482 }, year = {2017}, month = {JAN}, pages = {160-164}, type = {Article}, abstract = {The recent development of Linac coherent light source high intense X-ray laser makes it possible to create double core ionization in the molecule. The generation of double core hole state and its decay is identified by Auger spectroscopy. The decay of this double core hole (DCH) states can be used as a powerful spectroscopic tool in chemical analysis. In the present work, we have implemented a promising approach, known as CAP-EOMCC method, which is a combination of complex absorbing potential (CAP) and equation -of-motion coupled cluster (EOMCC) approach to calculate the lifetime of single and double core hole states. We have applied this method to calculate the lifetime of the single core hole (K-LL) and double core hole (KK-KLL) states of CH4, NH3 and HF molecules. The predicted lifetime is found to be extremely short. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.chemphys.2016.09.038}, author = {Ghosh, Aryya and Vaval, Nayana and Pal, Sourav} } @article {43912, title = {Automating multistep flow synthesis: approach and challenges in integrating chemistry, machines and logic}, journal = {Beilstein Journal of Organic Chemistry}, volume = {13}, year = {2017}, month = {APR}, pages = {960{\textendash}987}, type = {Article}, abstract = {The implementation of automation in the multistep flow synthesis is essential for transforming laboratory-scale chemistry into a reliable industrial process. In this review, we briefly introduce the role of automation based on its application in synthesis viz. auto sampling and inline monitoring, optimization and process control. Subsequently, we have critically reviewed a few multistep flow synthesis and suggested a possible control strategy to be implemented so that it helps to reliably transfer the laboratory-scale synthesis strategy to a pilot scale at its optimum conditions. Due to the vast literature in multistep synthesis, we have classified the literature and have identified the case studies based on few criteria viz. type of reaction, heating methods, processes involving in-line separation units, telescopic synthesis, processes involving in-line quenching and process with the smallest time scale of operation. This classification will cover the broader range in the multistep synthesis literature.}, doi = {10.3762/bjoc.13.97}, author = {Shukla, Chinmay and Kulkarni, Amol A.} } @article {43771, title = {Band alignment and charge transfer pathway in three phase anatase-rutile-brookite TiO2 nanotubes: an efficient photocatalyst for water splitting}, journal = {Applied Catalysis B-Environmental}, volume = {128}, year = {2017}, month = {DEC}, pages = {9-19}, type = {Journal Article}, abstract = {The study reports electrochemical synthesis, phase evolution and hydrogen generation efficiency of anatase, anatase-rutile and anatase-rutile-brookite (ARB) TiO2 nanotubes for the first time. The SEM and TEM micrographs confirm the tubular morphology of the samples. The presence of anatase, rutile and brookite phases in a single nanotube is confirmed from high resolution TEM analysis. The water splitting efficiency of the three systems are studied under one sun illumination. It is observed that the anatase-rutile-brookite TiO2 nanotubes are highly efficient compared to anatase-rutile or anatase TiO2 nanotubes. The hydrogen generated by ARB composites, after four hours of one sun illumination, is found to be nearly twice that of anatase TiO2 nanotubes and 1.6 times that of anatase-rutile TiO2 nanotubes. The results suggest that the ARB in single nanotube having two junction interfaces, highly facilitate interparticle charge transfer compared to single junction anatase-rutile or bare anatase TiO2 nanotubes. From the deconvolution of PL spectra and the synchrotron radiation assisted valence band edge analysis, the band diagram for the anatase-rutile-brookite phase is constructed. The charge separation and its transfer pathway for efficient photo-assisted water splitting are delineated. This opens a new route for the simple synthesis and study of tri-phase TiO2 for efficient photocatalytic water splitting compared to the widely studied two phase TiO2. (C) 2017 Published by Elsevier B.V.}, keywords = {Anatase-Rutile-Brookite, Hydrogen generation, nanotubes, Photocatalysis, photoluminescence, Valence band edge}, doi = {10.1016/j.apcatb.2017.06.033}, author = {Preethi, L. K. and Mathews, Tom and Nand, Mangla and Jha, S. N. and Chinnakonda, Gopinath S. and Dash, Sitaram} } @article {43905, title = {Base-free and catalyst-free synthesis of functionalized dihydrobenzoxazoles via vinylogous carbonate to carbamate rearrangement}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {OCT}, type = {Article}, abstract = {An unexpected, catalyst-free, and base-free intramolecular cyclization of N-aryloxyacrylate aldimines, under thermal conditions leading to the synthesis of functionalized dihydrobenzoxazoles, is reported. The reaction features a unique rearrangement of vinylogous carbonates to vinylogous carbamates resulting in a new carbon{\textendash}oxygen and carbon{\textendash}nitrogen bond construction. The reaction tolerates a broad range of functional groups and the desired products are formed in moderate to good yields.}, doi = {10.1021/acs.orglett.7b02733}, author = {Das, Tamal Kanti and Mondal, Santigopal and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {45666, title = {Benz-amidinato calcium iodide catalyzed aldehyde and ketone hydroboration with unprecedented functional group tolerance}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {APR}, pages = {4562-4564}, type = {Article}, abstract = {A benz-amidinato calcium compound, [PhC(NiPr)(2)Cal] (1), catalyzed hydroboration of a wide range of aldehydes and ketones using pinacolborane (HBpin) at room temperature is reported. The catalyst shows functional group tolerance even towards OH and NH groups. The strategy was further extended to imines.}, doi = {10.1039/c7cc02311a}, author = {Yadav, S. and Pahar, S. and Sen, S. S.} } @article {43904, title = {Binding selectivity of vitamin K3 based chemosensors towards nickel(II) and copper(II) metal ions}, journal = {Journal of molecular Structure}, volume = {1143}, year = {2017}, month = {SEP}, chapter = {495-514}, abstract = {
The vitamin K3 derivatives 2-methyl-3-[(pyridin-2-ylmethyl)-amino]-1,4-naphthoquinone (M-1), 2-methyl-3-[(pyridin-2-ylethyl)-amino]-1,4-naphthoquinone (M-2), 2-methyl-3-((2-(thiophen-2-yl) methyl)amino)naphthalene-1,4-dione (M-3) and 2-methyl-3-((2-(thiophen-2-yl)ethyl)amino)naphthalene-1,4-dione (M-4) have been synthesized, characterized and studied for their chemosensor abilities towards transition metal ions. Crystal structures of M-1 to M-4 revealed a variety of N-H center dot center dot O, C-H center dot center dot center dot O, C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions. Minor variations in such interactions by chemical stimuli such as metal ions, results in change in color that can be visualized by naked eyes. It has been shown that electronic structure and H-1 NMR, vibrational as well as electronic spectra from the density functional theory agree well with the experiments. The metal ion binding in ethanol, ethanol-water and in mild base triethylamine brings forth recognizing ability of M-1 toward Ni2+ whereas M-2 exhibits large sensing ability for Cu2+ ion. Interestingly M-1 display varying metal ion binding specificity in different solvents with the association constant in ethanol being 11,786 M-1 for Ni2+ compared to 9462 M-1 for the Cu2+. A reversal in preferential binding of M-2 with the respective association constants being 4190 M-1 and 6370 M-1 is discernible. (C) 2017 Elsevier B.V. All rights reserved.
}, keywords = {Aminonaphthoquinone Molecular-structures, Anthraquinone, Aqueous-solution, Chemosensor, Crystal-structures, Cu(II), Derivatives, DFT, Fluorometric Chemosensors, hydrogen bonding, Naphthoquinone, pi-pi stacking, Recognition, sensors}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2017.04.094}, author = {Patil, Amit and Lande, Dipali N. and Nalkar, Archana and (Gejji, Shridhar P. and Chakrovorty, Debamitra and Gonnade, Rajesh and Moniz, Tania and Rangel, Maria and Pereira, Eulalia and Salunke-Gawali, Sunita} } @article {43558, title = {Biocompatible superhydrophobic coating material for biomedical applications}, journal = {Journal of Sol-Gel Science and Technology}, volume = {81}, year = {2017}, month = {MAR}, pages = {791-796}, abstract = {Biomaterials and wettability have played a crucial role in the biocompatibility with a host matrix of body fluid and cells. We discuss designing superhydrophobic biomaterials for novel applications such as temporally implant, contact lenses, controlled drug release coatings, coating on medical instruments, etc. Such Superhydrophobic coating surfaces were created with the simple dip coating method by single step base catalyst sol-gel method. Methyltriethoxysilane/trimethoxymethylsilane-based deposition at different dip periods introduces interesting properties in the region, including superhydrophobicity, biocompatibility and transparency. This works reveal the impact of interaction bone marrow mesenchymal stem cells and surface free energy on the biocompatibility of superhydrophobic biomaterial.}, doi = {10.1007/s10971-016-4244-4}, author = {Mahadik, Satish A. and Pedraza, F. and Mahadik, Sarika S. and Relekar, Brahmanand P. and Thorat, Sagar S.} } @article {44136, title = {Biology and development of xanthopimpla pedator (hymenoptera: ichneumonidae): pupal endoparasitoid of antheraea mylitta (Lepidoptera: Saturniidae)}, journal = {Annals of the Entomological Society of America}, volume = {110}, year = {2017}, month = {NOV}, pages = {544-550}, type = {Article}, abstract = {The Antheraea mylitta (Drury) (Lepidoptera: Saturniidae) is a commercially important species for the production of tasar silk. However, the Xanthopimpla pedator (F.) (Hymenoptera: Ichneumonidae) is a major pupal endoparasitoid of A. mylitta, which affects the total tasar silk production in India. A gravid female X. pedator parasitizes the pupae of A. mylitta by depositing an egg, which produces a single offspring per host. We studied the development of immature forms of X. pedator by dissecting parasitized pupae of A. mylitta under laboratory conditions at 28-30 degrees C and 40-60\% relative humidity. All immature stages of the parasitoid develop within the host in 20-22 d, by devouring the entire pupal content, resulting in dead or seedless cocoons. The total life cycle of X. pedator is completed inside the host pupa and the adult emerges out by rupturing the peduncle end of the cocoon. During development of X. pedator, five preimaginal stages, viz., egg, larval instars, prepupa, pupa, and a pharate adult, were observed. Xanthopimpla pedator passes through five larval instars identified by structural and morphometric variations. These include primary larva (L1), the intermediate larvae (L2-L4), and the finalinstar larva (L5). Biometric study and larval head width permitted the morphological separation of all five larval instars. In the present study, the biology and development of X. pedator inside the pupa of A. mylitta are reported for the first time with detailed photomicrographs. Therefore, the study may enable the information concerning physiological interactions between A. mylitta and its endoparasitoid, X. pedator.}, doi = {10.1093/aesa/sax049}, author = {Gathalkar, Ganesh B. and Barsagade, Deepak D. and Sen, Avalokiteswar} } @conference {45756, title = {Biomedical literature mining for protein-protein interactions analysis using electronic mailing system}, booktitle = {253rd National Meeting of the American-Chemical-Society (ACS) on Advanced Materials, Technologies, Systems, and Processes}, year = {2017}, month = {APR }, publisher = {Amer chemical soc, 1155 16TH ST, NW, Washington, DC 20036 USA}, organization = {Amer chemical soc, 1155 16TH ST, NW, Washington, DC 20036 USA}, address = { San Francisco, CA}, author = {Karthikeyan, Muthukumarasamy and Vyas, Renu} } @article {43920, title = {Biomimetic synthesis of CdSe nanoparticles with potential bioimaging applications}, journal = {International Journal of Pharmaceutical Sciences and Research}, year = {2017}, month = {JUN}, pages = {2526-2532}, type = {Article}, abstract = {This study presents in vitro biomimetic synthesis of CdSe nanoparticles using the enzyme, NADPH dependent-Nitrate reductase purified from fungus, Fusarium oxysporum. The synthesis of CdSe nanoparticles was accomplished in the presence of a synthetic peptide having amino acid sequence (γ-Glu-Cys-Glu-Cys)-Gly, which acted as binding molecule. The nanoparticles were synthesized in the size range of 3.9{\textendash}9.0 nm was analysed using TEM. Further characterization of nanoparticles was done using techniques such as UV, PL, XPS, and FTIR. The as-synthesized CdSe nanoparticles were water dispersible containing free reactive amino groups. These CdSe nanoparticles were conjugated with bi-antennary and tri-antennary glycopeptides opening up the possibilities for their applications in bioimaging. These significant observations will help better understand the mechanism of biosynthesis of fluorescent nanoparticles using fungi. These findings promise an alternative strategy for an eco-friendly, economical, and large-scale synthesis of water dispersible CdSe nanoparticles. These CdSe nanoparticles have promising biomedical-imaging applications without a need for further functionalization.}, doi = {10.13040/IJPSR.0975-8232.8(6).2526-32}, author = {Ansary, Abu Ayoobul and Uddin, Imran and Khan, Muhammed I.} } @article {43851, title = {Biomimetic total synthesis of angiopterlactone B and other potential natural products}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {JUL}, pages = {3564-3567}, type = {Article}, abstract = {A one-pot biomimetic synthesis of (-)-angiopterlactone B and its enantiomer (+)-angiopterlactone B has been accomplished via TBAF-catalyzed tandem ring contraction followed by oxa-Michael/Michael addition sequence. Comparison of specific optical rotations, absolute configurations, and CD spectra of natural, synthesized (-)-angiopterlactone B and (+)-angiopterlactone B unequivocally proves that the isolated angiopterlactone B must be levorotatory. Synthesis of hitherto undiscovered natural products 18 and 20 and analogues of angiopterlactone B demonstrate the versatility of this method.}, doi = {10.1021/acs.orglett.7b01525}, author = {Kotammagari, Tharun K. and Gonnade, Rajesh G. and Bhattacharya, Asish K.} } @article {43978, title = {Biosurfactant surfactin as a kinetic promoter for methane hydrate formation}, journal = {Energy Procedia}, volume = {105}, year = {2017}, month = {MAY}, pages = {5011-5017}, type = {Article}, abstract = {In the present study, the effect of the biosurfactant Surfactin on methane hydrate formation kinetics was studied. Initially, several marine derived species were screened for the presence of Surfactin. The polymerase chain reaction technique was used as the preliminary screening step for Surfactin which was then followed up by a couple of different assays to provide conclusive evidence of the same. Based on these tests, the D-9 bacterial strain was identified as a producer of Surfactin. Once the presence of Surfactin had been proven, its effect on methane hydrate formation kinetics was investigated upon by carrying out hydrate formation experiments in a stirred tank reactor. The cell free supernatant containing Surfactin was itself used as the hydrate forming solution without any further processing. It was found that the presence of Surfactin in the system greatly enhances hydrate formation kinetics as compared to pure water. In fact the kinetics in presence of Surfactin also surpassed that obtained with 1 wt\% SDS, the most commonly used synthetic kinetic hydrate promoter. This basic study can pave the way for more sophisticated research on the use of biosurfactants as kinetic promoters with a view on rapid methane hydrate formation kinetics for applications such as methane separation, storage and transport.}, doi = {10.1016/j.egypro.2017.03.1050}, author = {Bhattacharjee, Gaurav and Barmecha, Vivek and Pradhan, Darshan and Naik, Rajesh and Zare, Kirti and Mawlankar, Rahul R. and Dastager, Syed Gulam and Kushwaha, Omkar Singh and Kumar, Rajnish} } @article {45674, title = {Biosynthesis of glycomonoterpenes to attenuate quorum sensing associated virulence in bacteria}, journal = {Biotechnology and Applied Biochemistry}, volume = {181 }, year = {2017}, month = {APR}, pages = {1533-1548}, type = {Article}, abstract = {The acquisition of multidrug resistance in bacteria has become a bigger threat of late, mainly due to the bacterial signaling phenomenon, quorum sensing (QS). QS, among a population of bacteria, initiates the formation of biofilms and offers myriad advantages to bacteria. Burgeoning antibiotic resistance in biofilm-producing bacteria has motivated efforts toward finding new alternatives to these traditional antimicrobials. In the present study, we report the increased solubility and additional quorum quenching as well as biofilm disruption activity of glyco-derivatives of monoterpenes (citral and citronellal). Glycomonoterpenes of citral and citronellal were synthesized via conjugation of the monoterpenes with glucose by the non-pathogenic yeast Candida bombicola (ATCC 22214). Structural elucidation of newly synthesized glycomonoterpenes showed that one synthesized using citronellal contains three major lactonic forms with molecular weight 492.43, 473.47, and 330.39 Da whereas the one produced using citral has an acidic form with molecular weight 389.33 and 346.23 Da. The glycomonoterpenes were able to individually inhibit QS, mediated through various medium-chain and long-chain N-acyl homoserine lactones (AHLs). These new compounds are interesting additions to the known range of quorum sensing inhibitors (QSIs) and could be further explored for potential clinical applications.}, doi = {10.1007/s12010-016-2300-8}, author = {Patil, Amrita and Joshi-Navre, Kasturi and Mukherji, Ruchira and Prabhune, Asmita} } @inbook {45774, title = {Biotechnological interventions to modulate terpenoid indole alkaloid pathway in catharanthus roseus using in vitro tools and approaches}, booktitle = {Catharanthus Roseus: Current Research and Future Prospects}, year = {2017}, pages = {247-275}, publisher = {Springer International Publishing}, organization = {Springer International Publishing}, chapter = {18}, address = { Switzerland}, abstract = {
Catharanthus roseus plant is valued for harboring more than 130 bioactive terpenoid indole alkaloids (TIAs) including the two of its leaf derived bisindole alkaloids-vinblastine and vincristine which are indispensible constituents of antineoplastic drugs used in metastatic malignancy associated with acute lymphoblastic leukaemia{\textquoteright}s and Hodgkin{\textquoteright}s/Non-Hodgkin{\textquoteright}s lymphomas. The extremely low in planta occurrence of TIAs in C. roseus plants resulting in high commercial demand and exorbitant price have brought this herb in focus of an intense scientific scrutiny in last 30 years. Research efforts have so far advanced in two major directions: towards understanding the enzymology and genetic regulation of the concerned metabolic pathway(s) leading to TIAs biosynthesis in plant and, secondly, exploring the possibility of developing cell/tissue culture based platforms for in vitro TIAs production to meet the industry{\textquoteright}s demand. Designing plants, free from such metabolic constraints, can be a possible approach to enhance the production of plant based medicines. This subject of plant metabolic engineering is gaining lot of attention these days. Pathway manipulation using the modern tools of genetic engineering to over-express a limiting enzyme or to suppress the expression of an enzyme using a shared substrate of a branched pathway are attractive options of metabolic engineering for diverting the metabolic flux towards the synthesis of a desired end product. Knowledge, thus gained, indicates that TIAs biogenetic route is characterized by extensive metabolic cross-talk and shuttling of at least 35 intermediates synthesized via 30 enzymatic reactions occurring in four different types of tissues (epidermis, internal phloem parenchyma, idioblasts and leticifers) and five different sub-cellular compartments (cytosol, vacuole, thyllakoid membrane, nucleus and endoplasmic reticulum). The complexity is further compounded by extremely high level of recalcitrancy of C. roseus plant for regeneration and Agrobacterium- mediated genetic transformation for pathway engineering. As a consequence, all genetic modulation efforts so far made in C. roseus are confined to cell suspension and transformed hairy root cultures that lack the required level of cyto- and tissue- differentiation essential for the expression of entire TIAs pathway genes and enzymes. A perusal of published work in C. roseus clearly suggests that inspite of several pathway manipulation/engineering attempts, the level of TIAs production in cell/tissue/hairy root cultures of this herb could never be enhanced to the level of expectations. The enzymatic, developmental and environmental rigidity/complexi- ties associated with the biosynthetic pathway of these alkaloids have often been cited as possible reasons for these disappointing outcomes Therefore, three major areas of investigation are in focused attention of Catharanthus researchers{\textquoteright} the world over are: (1) how to select or design the starting cells or tissue(s) to realize the full potential of applying metabolic engineering tools for up-regulating the TIAs pathway in them; (2) how to overcome the strong recalcitrancy of Catharanthus plant tissues for de novo organogenesis and in vitro plant regeneration for whole plant-level expression of a transgene coding either for a limiting pathway enzyme or a transcription factor that can control the global expression of several pathway genes and, (3) how to overcome the inability of non-differentiated cell cultures to execute those pathway steps that are expressed only in specialized tissues/cells of C. roseus plants. Various biotechnological approaches and generation of novel tissue types have been discussed in the present chapter for the modulation and increased TIAs flux in C. Roseus.
}, isbn = {978-331951619-6}, doi = {10.1007/978-3-319-51620-2_10}, author = {Verma, P. and Khan, S. A. and Parasharami, V. and Mathur, A. K.} } @article {43507, title = {Biotransformation of penicillin V to 6-aminopenicillanic acid using immobilized whole cells of E. coli expressing a highly active penicillin V acylase}, journal = {Preparative Biochemistry \& Biotechnology}, volume = {47}, year = {2017}, month = {JAN}, pages = {52-57}, abstract = {The production of 6-aminopenicillanic acid (6-APA) is a key step in the manufacture of semisynthetic antibiotics in the pharmaceutical industry. The penicillin G acylase from Escherichia coli has long been utilized for this purpose. However, the use of penicillin V acylases (PVA) presents some advantages including better stability and higher conversion rates. The industrial application of PVAs has so far been limited due to the nonavailability of suitable bacterial strains and cost issues. In this study, whole-cell immobilization of a recombinant PVA enzyme from Pectobacterium atrosepticum expressed in E. coli was performed. Membrane permeabilization with detergent was used to enhance the cell-bound PVA activity, and the cells were encapsulated in calcium alginate beads and cross-linked with glutaraldehyde. Optimization of parameters for the biotransformation by immobilized cells showed that full conversion of pen V to 6-APA could be achieved within 1 hr at pH 5.0 and 35 degrees C, till 4\% (w/v) concentration of the substrate. The beads could be stored for 28 days at 4 degrees C with minimal loss in activity and were reusable up to 10 cycles with 1-hr hardening in CaCl2 between each cycle. The high enzyme productivity of the PVA enzyme system makes a promising case for its application for 6-APA production in the industry.}, doi = {10.1080/10826068.2016.1163580}, author = {Avinash, Vellore Sunder and Chauhan, Palna Dinesh and Gaikwad, Shraddha and Pundle, Archana} } @article {43838, title = {Bronsted acid catalyzed enantioselective pericyclic reactions}, journal = {Tetrahedron}, volume = {73}, year = {2017}, month = {JUL}, pages = {4023-4038}, type = {Article}, abstract = {Pericyclic reactions can be challenging processes to render asymmetric, due to the concerted and non polar nature of the transition states. Several examples have been reported in which a suitable catalyst binds to a heteroatom-containing substituent in the substrate and accelerates the reaction rate. The requirement of coordinating functionalized substrates has limited the generality of such asymmetric transformations. Multifunctional Bronsted acids are promising catalysts that represent a new paradigm in asymmetric pericyclic reactions. These chiral catalysts rely on multiple non-covalent interactions in the transition state for asymmetric induction, which has been utilized to activate more general substrate classes. In this review, we will cover recent advances in Bronsted acid catalyzed pericyclic reactions and discuss the impact of catalyst design on the expansion of substrate scope for highly enantioselective processes. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tet.2017.02.059}, author = {Sleet, Christopher E. and Tambar, Uttam K. and Maity, Pradip} } @article {43848, title = {Calculation of the magnetic hyperfine structure constant of alkali metals and alkaline-earth-metal ions using the relativistic coupled-cluster method}, journal = {Physical Review A}, volume = {96}, year = {2017}, month = {JUL}, pages = {Article Number: 012510}, type = {Article}, abstract = {The Z-vector method in the relativistic coupled-cluster framework is used to calculate the magnetic hyperfine structure constant (A(J)) of alkali metals and singly charged alkaline earth metals in their ground state electronic configuration. The Z-vector results are in very good agreement with the experiment. The A(J) values of Li, Na, K, Rb, Cs, Be+, Mg+, Ca+, and Sr+ obtained in the Z-vector method are compared with the extended coupled-cluster results taken from Phys. Rev. A 91, 022512 (2015). The same basis and cutoff are used for the comparison purpose. The comparison shows that the Z-vector method with the single and double approximation can produce a more precise wave function in the nuclear region than the ECC method.}, doi = {10.1103/PhysRevA.96.012510}, author = {Sasmal, Sudip} } @article {43973, title = {Calixarene based nanocomposite materials for high performance supercapacitor electrode}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {JUL}, type = {Article}, abstract = {A functionalised calixarene {4-Sulphatocalix [6] arene Hydrate (SC6)} stabilises MoS2/partially reduced graphene oxide (rGO) nanosheet. Such stabilised SC6-rGO/SC6-MoS2 and SC6 doped polyaniline (PANI) together forms a nanocomposite hybrid material for supercapacitor electrode. It was fabricated by an in situ polymerization method. Transmission electron microscopy (TEM) results suggest that PANI nanostructures grow homogeneously onto the surfaces of SC6 functionalised MoS2. Calixarene acts as a dopant for PANI as well as a stabiliser for the 2D nanosheets of rGO/MoS2. The characterisation of composites together with basic components was done by using various techniques namely, solid-state FT-IRspectroscopy, X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD). The electrochemical performance was analysed by cyclic voltammetry (CV), galvanostatic charge/discharge and electrochemical impedance spectrometry (EIS). It was found that the SC6 functionalised MoS2 and SC6 doped PANI formed a uniform nanocomposite. The synthesised composites show high specific capacitance (691 F/g) and good cycling stability during the charge-discharge process when used as supercapacitor electrodes. The improvement in electrochemical performance of composites is assigned to synergistic effect of SC6 stabilised MoS2 and doped PANI. Our investigation highlighted the importance of use of calixarene in composites for above stated supercapacitor performance. The role of calixarene in the present study opens a way for the application of alike materials in the composite supercapacitors for energy storage applications.}, doi = {10.1039/C7NJ01125C}, author = {Waghmode, Babasaheb J. and Soni, Roby and Patil, Kashinath Rangu and Malkhede, Dipalee D.} } @article {44093, title = {Camptothecin-producing endophytic bacteria from pyrenacantha volubilis hook. (Icacinaceae): a possible role of a plasmid in the production of camptothecin}, journal = {Phytomedicine}, volume = {36}, year = {2017}, month = {DEC}, pages = {160-167}, type = {Article}, abstract = {Background: Camptothecin (CPT), a quinoline alkaloid, is a potent inhibitor of eukaryotic topoisomerase I. Because of this property, several derivatives of CPT are used as chemotherapeutic agents. CPT is produced by several plant species belonging to the Asterid clade as well as by a number of endophytic fungal associates of these plants. In this study, we report the production of CPT by four bacterial endophytes and show the possible role of a plasmid in the biosynthesis of CPT. Methods: Endophytic bacteria were isolated from leaves, stems and fruits of Pyrenacantha volubilis Hook. (Icacinanceae). The bacterial isolates were purified and analyzed for production of CPT by ESI-MS/MS and NMR analysis. Bacterial identity was established based on the morphology and 16s rRNA sequence analysis. Crude extracts of the bacterial endophytes were evaluated for their cytotoxicity using colon cancer cell lines. The role of plasmid in the production of CPT was studied by purging the plasmid, using acriflavine, as well as reconstituting the bacteria with the plasmid. Results: Four bacterial isolates, Bacillus sp. (KP125955 and KP125956), Bacillus subtilis (KY741853) and Bacillus amyloliquefaciens (KY741854) were found to produce CPT in culture. Both based on ESI-MS/MS and NMR analysis, the identity of CPT was found to be similar to that produced by the host plant. The CPT was biologically active as evident by its cytotoxicity against colon cancer cell line. The production of CPT by the endophyte (Bacillus subtilis, KY741853) attenuated with sub-culture. A likely role of a plasmid in the production of CPT was established. A 5 kbp plasmid was recovered from the bacteria. Bacterial isolate cured of plasmid failed to produce CPT. Conclusion: Our study implies a possible role of a plasmid in the production of CPT by the endophytic bacteria and opens up further work to unravel the exact mechanisms that might be involved.}, doi = {10.1016/j.phymed.2017.09.019}, author = {Soujanya, K. N. and Siva, R. and Kumara, P. Mohana and Srimany, Amitava and Ravikanth, G. and Mulani, F. A. and Aarthy, T. and Thulasiram, H. V. and Santhoshkumar, T. R. and Nataraja, Karaba N. and Shaanker, R. Uma} } @article {43967, title = {Can fungi compete with marine sources for chitosan production?}, journal = {International Journal of Biological Macromolecules}, volume = {104}, year = {2017}, month = {NOV}, pages = {1415-1421}, type = {Journal Article}, abstract = {
Chitosan, a β-1,4-linked glucosamine polymer is formed by deacetylation of chitin. It has a wide range of applications from agriculture to human health care products. Chitosan is commercially produced from shellfish, shrimp waste, crab and lobster processing using strong alkalis at high temperatures for long time periods. The production of chitin and chitosan from fungal sources has gained increased attention in recent years due to potential advantages in terms of homogenous polymer length, high degree of deacetylation and solubility over the current marine source. Zygomycetous fungi such as Absidia coerulea, Benjaminiella poitrasii, Cunninghamella elegans, Gongrenella butleri, Mucor rouxii, Mucor racemosus and Rhizopus oryzae have been studied extensively. Isolation of chitosan are reported from few edible basidiomycetous fungi like Agaricus bisporus, Lentinula edodes and Pleurotus sajor-caju. Other organisms from mycotech industries explored for chitosan production are Aspergillus niger, Penicillium chrysogenum, Saccharomyces cerevisiae and other wine yeasts. Number of aspects such as value addition to the existing applications of fungi, utilization of waste from agriculture sector, and issues and challenges for the production of fungal chitosan to compete with existing sources, metabolic engineering and novel applications have been discussed to adjudge the potential of fungal sources for commercial chitosan production.
}, keywords = {Cell wall, Chitin/chitosan, Waste Mycelial Biomass, Zygomycetous Fungi}, doi = {10.1016/j.ijbiomac.2017.01.112}, author = {Ghormade, V.}, editor = {Pathan, E.K.} } @article {43871, title = {Capillary uptake in macroporous compressible sponges}, journal = {Soft Matter}, volume = {13}, year = {2017}, month = {SEP}, chapter = { 5731-5740}, abstract = {
The capillarity-driven uptake of liquid in swellable, highly porous sponges is of significant industrial importance. Sponges prepared using polymers and their composites with carbon nanotubes and graphene have been reported, with extraordinary solvent uptake capacities and with the ability to separate oil from water. However, the effect of systematic variation of sponge characteristics on solvent uptake has not been investigated. Here, we report experiments that study capillary uptake in a variety of flexible, centimetre-sized macroporous cylindrical sponges. We used ice-templating to prepare a series of model macroporous sponges in which the porosity, modulus and composition were systematically varied. We investigated two kinds of sponge: (a) those composed purely of cross-linked polymers and (b) those prepared as composites of inorganic particles and polymers. Both kinds of sponge are flexible and exhibit elastic recovery after large compressive deformation. All sponges were characterized thoroughly with respect to their pore microstructure and elastic modulus. When one end of a sponge is plunged into a large reservoir, water rises through capillary action against gravity. We observed a transition from an inertial capillary regime, where the liquid column height rose linearly with time, t, to a viscous capillary regime, where the liquid height rose with time t(0.5). We showed that these results can be rationalized using analyses developed for rigid sponges. We combined differential momentum balance equations for uptake in rigid capillaries with the phenomenological Ergun-Forchheimer relations to account for the effect of the sponge microstructure. This approach works remarkably well in the viscous capillary regime and shows that capillary uptake is governed primarily by the total porosity and pore dimensions of soft sponges.
}, keywords = {aerogels, Building blocks, Catalyst Supports, Contact-angels, Dynamics, flow, Organic Liquids, Porous-Media, Rise}, issn = {1744-683X}, doi = {10.1039/c7sm00826k}, author = {Chatterjee, Soumyajyoti and Doshi, Pankaj and Kumaraswamy, Guruswamy} } @inbook {45783, title = {Carbene or C1 polymerization}, booktitle = {Metal-catalyzed polymerization: fundamentals to applications}, year = {2017}, pages = {117-136}, publisher = {CRC Press}, organization = {CRC Press}, chapter = {Ring-opening polymerization and metathesis polymerizations}, abstract = {
As noted in Chapter 2, metal-catalyzed polymerization of carbon-carbon double bond (C=C) containing monomers is most widely known and today we produce roughly 180 million tons of polyolefins every year. 1 In this so-called olefin polymerization or vinyl insertion polymerization method, each monomer delivers two carbon (C2) atoms in each propagation step. Insertion polymerization of monomers delivering only one carbon unit in each chain growth step is named as C1 or carbene polymerization (see Figure 3.1). 2 In the recent past, C1 polymerization techniques are being viewed as a valuable alternative to the classical C2 polymerization methods. Not only this but also C1 polymerization offer distinct advantages over C2 polymerization and thus opens up new avenues for the development of new material with polymer properties that are very difficult to achieve using traditional C2 polymerization methods. In this chapter we will discuss the significance of C1 polymerization and the different methods used for C1 polymerization, will summarize the recent developments, and will highlight the elementary steps involved in it.
}, isbn = {978-149876757-6}, issn = {978-149876758-3}, doi = {10.1201/b19905}, author = {De Bruin, B. and Chikkali, S.H.} } @article {43921, title = {Carbonylation of glycerol with urea to glycerol carbonate over supported Zn catalysts}, journal = {Applied Petrochemical Research}, volume = {7}, year = {2017}, month = {APR}, chapter = {41-53}, abstract = {
Glycerol carbonylation with urea is a very feasible option to produce glycerol carbonate with a net result of CO2 fixation through urea synthesis. The prerequisite of an efficient catalyst for this reaction is to possess both acid and basic sites together. Several acidic supports were screened for ZnO catalyst in this work and Zn/MCM-41 was found to exhibit the best activity and almost complete selectivity to glycerol carbonate (GC). Although, non-catalytic glycerol carbonylation resulted in GC formation but glycerol conversion achieved was twice with Zn/MCM-41 as a catalyst. Further to that increase in Zn loading from 2 to 5\% resulted in increase in glycerol conversion from 63 to 82\%. The prepared catalysts were characterized by XRD, NH3 and CO2-TPD and effects of reaction parameters such as catalyst loading, glycerol to urea mole ratio and temperature on glycerol conversion and GC selectivity in batch mode of operation were also studied. Time on stream activity of 5\% Zn/MCM-41 catalyst for continuous carbonylation of glycerol was also studied for ~100 h with an average conversion of ~55\% and complete selectivity to GC. This indicated five times lower productivity of GC per h due to lower residence time than that in a batch operation as compared to that of a continuous operation. Activation energy estimated from the Arrhenius plot was found to be 39.82 kJ mol-1 suggesting that the reaction is kinetically controlled. A reaction pathway mediated by acid and basic sites of the Zn/MCM-41 catalyst is also proposed.
}, keywords = {Acid{\textendash}base ratio, Continuous process, Glycerol carbonate, Glycerol-urea carbonylation, reaction pathway, Supported Zn, Zn loading}, issn = {2190-5533}, doi = {10.1007/s13203-017-0177-2}, author = {Kondawar, S. E. and Mane, R. B. and Vasishta, A. and More, S. B. and Dhengale, S. D. and Rode, C. V.} } @article {43340, title = {Carboxymethyl cellulose-grafted mesoporous silica hybrid nanogels for enhanced cellular uptake and release of curcumin}, journal = {Gels}, volume = {3}, year = {2017}, month = {FEB}, abstract = {
Mesoporous silica nanoparticles (MSNs) with ordered pore structure have beensynthesized and used as carriers for the anticancer drug curcumin. MSNs were functionalizedwith amine groups and further attached with carboxymethyl cellulose (CMC) using 1-ethyl-3-(3-dimethylaminopropyl)-carbodiimide (EDC) coupling chemistry, which increased the hydrophilicityand biocompatibility of MSNs. The functionalized MSNs (MSN-NH2and MSN-CMC) werecharacterized using Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM),Dynamic Light Scattering (DLS), N2adsorption, X-Ray Diffraction (XRD), Thermo GravimetricAnalysis (TGA) and Fourier Transform Infrared Spectroscopy (FT-IR). Thein vitrorelease of curcuminfrom the {\textendash}NH2and CMC functionalized MSNs (MSN-cur-NH2and MSN-cur-CMC) was performedin 0.5\% aqueous solution of sodium lauryl sulphate (SLS). The effect of CMC functionalization ofMSNs towards cellular uptake was studied in the human breast cancer cell line MDA-MB-231 andwas compared with that of MSN-NH2and free curcumin (cur). Both MSN-NH2and MSN-CMCshowed good biocompatibility with the breast cancer cell line. The MTT assay study revealedthat curcumin-loaded MSN-cur-CMC showed better uptake as compared to curcumin-loadedMSN-cur-NH2. Free curcumin was used as a control and was shown to have much less internalizationas compared to the curcumin-loaded functionalized MSNs due to poor bioavailability. Fluorescencemicroscopy was used to localize the fluorescent drug curcumin inside the cells. The workdemonstrates that CMC-functionalized MSNs can be used as potential carriers for loading and releaseof hydrophobic drugs that otherwise cannot be used effectively in their free form for cancer therapy.
}, doi = {10.3390/gels3010008}, author = {Tiwari, Neha and Nawale, Laxman U. and Sarkar, Dhiman and Badiger, Manohar V.} } @article {43852, title = {Cascade energy transfer and tunable emission from nanosheet hybrids: locating acceptor molecules through chiral doping}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUL}, pages = {7072-7075}, type = {Article}, abstract = {Light harvesting donor-acceptor assemblies are indispensable to efficiently tap photons. In an attempt to improve the light harvesting efficiency of an acceptor doped assembly, we design and synthesize a donor-acceptor-donor triad which exhibits an exceptional intramolecular energy transfer with excellent efficiency. Moreover, a facile cascade energy transfer (energy funnelling) is observed in the presence of a series of second acceptors (63-91\% efficiency) with tunable emission colours. Self-assembled nanosheets formed by the triad in the presence of acceptors exhibit cascade energy transfer assisted tunable emission. In addition, use of chiral acceptors induces chirality to the triad and results in the formation of chiral nanosheets alongwith cascade energy transfer. Here chiral induction, nanosheet formation and cascade energy transfer in the presence of chiral acceptors are used as tools to probe the intercalation of acceptor molecules in the donor scaffold.}, doi = {10.1039/c7cc02994b}, author = {Goudappagouda and Wakchaure, Vivek Chandrakant and Ranjeesh, Kayaramkodath Chandran and Abhai, Chalona Antony Ralph and Babu, Sukumaran Santhosh} } @article {44147, title = {Cascade reductive etherification of bioderived aldehydes over Zr-based catalysts}, journal = {ChemSusChem}, volume = {10}, year = {2017}, month = {OCT}, pages = {4090-4101}, type = {Article}, abstract = {An efficient one-pot catalytic cascade sequence has been developed for the production of value-added ethers from bioderived aldehydes. Etherification of 5-(hydroxymethyl)furfural with different aliphatic alcohols over acidic Zr-montmorillonite (Zr-Mont) catalyst produced a mixture of 5-(alkoxymethyl)furfural and 2-(dialkoxymethyl)-5-(alkoxymethyl)furan. The latter was selectively converted back into 5-(alkoxymethyl)furfural by treating it with water over the same catalyst. The synthesis of 2,5-bis(alkoxymethyl)furan was achieved through a cascade sequence involving etherification, transfer hydrogenation, and re-etherification over a combination of acidic Zr-Mont and the charge-transfer hydrogenation catalyst [ZrO(OH)(2)]. This catalyst combination was further explored for the cascade conversion of 2-furfuraldehyde into 2-(alkoxymethyl)furan. The scope of this strategy was then extended for the reductive etherification of lignin-derived arylaldehydes to obtain the respective benzyl ethers in >80\% yield. Additionally, the mixture of Zr-Mont and ZrO(OH)(2) does not undergo mutual destruction, which was proved by recycling experiments and XRD analysis. Both the catalysts were thoroughly characterized using BET, temperature-programmed desorption of NH3 and CO2, pyridine-FTIR, XRD, inductively coupled plasma optical emission spectroscopy, and X-ray photoelectron spectroscopy techniques.}, doi = {10.1002/cssc.201701275}, author = {Shinde, Suhas and Rode, Chandrashekhar} } @article {45752, title = {Catalyst-free oxidation of sulfides to sulfoxides and diethylamine catalyzed oxidation of sulfides to sulfones using oxone as an oxidant}, journal = {Research on Chemical Intermediates}, volume = {43}, year = {2017}, month = {DEC}, pages = {6875-6888}, type = {Article}, abstract = {
We describe here our journey from the failure of our attempts in controlled oxidation of sulfides to sulfoxides using an Oxone(A (R))-KBr combination to our success in the development of a catalyst-free protocol for the oxidation of sulfides to sulfoxides using Oxone as an oxidant. We also describe the failure of our attempts at the oxidation of sulfides to sulfones using an excess of Oxone-KBr as well as Oxone, and our success towards the development of a rapid, scalable and chromatography-free protocol for the oxidation of sulfides to sulfones using diethylamine-Oxone as an unprecedented catalyst-oxidant combination. [GRAPHICS] .
}, keywords = {diethylamine, organocatalysis, Oxidation, Oxone, Sulfones, Sulfoxides}, issn = {0922-6168}, doi = {10.1007/s11164-017-3026-0}, author = {Kupwade, R. V. and Khot, S. S. and Lad, U. P. and Desai, U. V. and Wadgaonkar, P. P.} } @article {42850, title = {Catalytic branching cascades in diversity oriented synthesis}, journal = {ChemCatChem}, volume = {9}, year = {2017}, month = {OCT}, pages = { 30-40}, type = {Article}, abstract = {
Diversity oriented synthesis (DOS) aims to generate small molecules with great structural diversity in an efficient manner. Recent years have witnessed significant achievements in the field, which help to validate the usefulness of DOS as a tool for the discovery of novel, biologically interesting small molecules. Catalytic branching cascades have emerged as a promising strategy because of their potential to transform a common type of substrate into diverse and distinct molecular frameworks. The details of the concept are presented herein.
}, doi = {10.1002/cctc.201600766}, author = {Bansode, Avinash H. and Chimala, Prathyusha and Patil, Nitin T.} } @article {43831, title = {Catalytic conversion of biomass}, journal = {Chemcatchem}, volume = {9}, year = {2017}, month = {JUL}, pages = {2613-2614}, type = {Article}, doi = {10.1002/cctc.201700884}, author = {Dhepe, Paresh and Tomishige, Keiichi and Wu, Kevin C. -W.} } @article {43359, title = {Catalytic enantioselective aza-piancatelli rearrangement}, journal = {Synlett}, volume = {28}, year = {2017}, month = {JUN}, pages = {1096-1100}, type = {Article}, abstract = {The design and development of an enantioselective aza-Piancatelli rearrangement reaction are described. In the presence of a chiral phosphoric acid catalyst, furylcarbinols react with anilines to afford highly functionalized cyclopentenones with excellent diastereo-and enantioselectivities. The process was shown to be scalable, and up to 1 gram of starting material could be employed under mild reaction conditions.}, doi = {10.1055/s-0036-1558952}, author = {Gade, Amol B. and Patil, Nitin T.} } @article {43560, title = {Catalytic macroporous biohydrogels made of ferritin-encapsulated gold nanoparticles}, journal = {Chempluschem}, volume = {82}, year = {2017}, month = {FEB}, pages = {225-232}, abstract = {Reported is a modular approach for the incorporation and stabilization of gold nanoparticles inside a three-dimensional macroporous hydrogel made of ferritin. The strategy, which involves the dynamic templating of surfactant H-1 domains, demineralization, and remineralization helps to overcome aggregation and degradation issues usually associated with bare-metal-based nanocatalysts. The catalytic activity of the so-synthesized bionanocomposite hydrogel was demonstrated in both nitroaldol (Henry) and nitroreduction model reactions in aqueous solution at room temperature. An interesting synergistic effect between basic residues of the protein and the gold nanoparticles was found in the nitroaldol reaction when carried out in water in the presence of a phase-transfer catalyst. Furthermore, the reduction of 4-nitrophenol and 4-nitroaniline catalyzed by the nanocomposite scaffold in the presence of NaBH4 proceeded significantly faster than that using other known Au- and Ag-based catalysts under similar conditions.}, doi = {10.1002/cplu.201600454}, author = {Kumari, Sushma and Haring, Marleen and Sen Gupta, Sayam and Diaz, David Diaz} } @article {43649, title = {Catalytic ozonation of clofibric acid over copper-based catalysts: in situ ATR-IR studies}, journal = {Applied Catalysis B-Environmental}, volume = {209}, year = {2017}, month = {JUL}, pages = {523-529}, abstract = {The current study describes the catalytic ozonation of clofibric acid (CFA) under ambient conditions using copper oxide catalysts synthesized by different methods. The objective of this study is to provide novel catalysts and reaction mechanism for the degradation of emerging pharmaceutical compounds in aqueous solution. Among the various Cu catalysts screened in this study, the Cut-Ali oxide catalyst showed an excellent activity and stability in the degradation and mineralization of CFA. In situ attenuated total reflection IR (ATR-IR) spectroscopy was used to examine the interaction of ozone with the active sites of the catalyst in presence of water and to investigate the possible catalytic mechanism. The presence of Lewis acid sites in the Cut-Ali catalyst increased the amount of chemisorbed water enhancing stronger interaction of ozone to form surface activated species, resulting in higher catalytic activity. The results obtained from in-situ ATR-IR study indicate that surface hydroxyl groups and Lewis acid sites are responsible for promoting the generation of hydroxyl radicals (OHS) from aqueous ozone. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apcatb.2017.02.071}, author = {Sable, Shailesh S. and Ghute, P. P. and Fakhrnasova, D. and Mane, R. B. and Rode, Chandrashekhar V. and Medina, F. and Contreras, S.} } @article {45718, title = {Cell culture processes for biopharmaceutical manufacturing}, journal = {Current Science}, volume = {112}, year = {2017}, month = {APR }, pages = {1478-1488}, type = {Article}, abstract = {
Recombinant proteins manufactured using animal cell culture processes comprise a significant fraction of biopharmaceuticals. With the expiry of patents on this class of therapeutics, there is also a significant interest in manufacture of biosimilar versions of such therapeutics. This article provides a birds-eye view of upstream process development for animal cell culture processes, with a focus on advances pertinent to the development of processes for biosimilars.
}, keywords = {Biopharmaceutical, Cell line development, CHO, glycosylation, monoclonal antibody}, issn = {0011-3891}, doi = {10.18520/cs/v112/i07/1478-1488}, author = {Gadgil, Mugdha} } @article {44148, title = {Cerium-based metal-organic framework having inherent oxidase-like activity applicable for colorimetric sensing of biothiols and aerobic oxidation of thiols}, journal = {Crystengcomm}, volume = {19}, year = {2017}, month = {OCT}, pages = {5915-5925}, type = {Article}, abstract = {A cerium-basedmetal-organic framework (MOF; 1) with a UiO-66 (UiO: University of Oslo) framework topology was synthesized solvothermally by employing 3,4-dimethylthieno[2,3-b] thiophene-2,5-dicarboxylic acid as a ligand. The MOF was thoroughly characterized by X-ray photoelectron spectroscopy (XPS), X-ray powder diffraction, infrared spectroscopy, and thermogravimetric and N-2 sorption analyses. The activated material (1{\textquoteright}) retained its structural integrity in water, acetic acid and 1 M HCl solution. XPS investigation reveals the presence of both Ce(III) and Ce(IV) ions in 1. Owing to the presence of mixed-valence cerium ions, 1{\textquoteright} was able to oxidize the chromogenic peroxidase substrate 3,3{\textquoteright}, 5,5{\textquoteright}-tetramethylbenzidine (TMB) or 2,2{\textquoteright}azinobis.3- ethylbenzothizoline-6-sulfonic acid) (AzBTS) in the absence of an external oxidizing agent. Thus, it showed inherent oxidase-like catalytic properties. Inspired by the excellent oxidase-mimicking activity of 1{\textquoteright}, a protocol was developed for the rapid colorimetric sensing of biothiols in NaAc buffer (0.2 M, pH = 4). The sensing ability of 1{\textquoteright} towards cysteine was also demonstrated in human blood plasma. Furthermore, the redox-active cerium ions enabled 1{\textquoteright} to exhibit excellent heterogeneous catalytic performance in aerobic oxidation catalysis of thiol compounds. The material is reusable (both as a sensor and as a catalyst), lowcost and highly stable, which renders it a promising candidate for the monitoring of biothiols in immunoassays and medical diagnosis as well as for industrial oxidation catalysis.}, doi = {10.1039/c7ce01053b}, author = {Dalapati, Rana and Sakthivel, Balasubramanian and Ghosalya, Manoj K. and Dhakshinamoorthy, Amarajothi and Biswas, Shyam} } @proceedings {44010, title = {CH3NH3PbI3 based solar cell: modified by antisolvent treatment}, volume = {1832}, year = {2017}, month = {MAY}, publisher = {American Institute of Physics Inc.}, chapter = {080065}, address = {KIIT University Bhubaneswar, Odisha; India.}, abstract = {
Solar cells based on new class of organic inorganic hybrid perovskite CH3NH3PbI3 were prepared by Ethyl acetate (EA); antisolvent treatment for the first time. This treatment results in new morphology for CH3NH3PbI3 thin film. FESEM image shows microrod type structures of CH3NH3PbI3 after EA antisolvent treatment. Energy band diagram was constructed using photoluminescence and photoemission studies. A better power conversion efficiency was achieved in EA treated film compare to without EA treated film.
}, keywords = {CH3NH3PbI3, Perovskite solar cell}, issn = {0094-243X}, doi = {10.1063/1.4980525}, author = {Nandi, P. and Giri, C. and Bansode, U. and Topwal, D.} } @inbook {43964, title = {Chapter 5: Experimental and computational approaches to study membranes and lipid-protein interactions}, booktitle = {Computational biophysics of membrane proteins}, year = {2017}, pages = {137-160}, publisher = {Royal Society of Chemistry}, organization = {Royal Society of Chemistry}, chapter = {Experimental and computational approaches to study membranes and lipid-protein interactions}, abstract = {
Biological membranes are complex two-dimensional, non-covalent assemblies of a diverse variety of lipids and proteins. A hallmark of membrane organization is varying degrees of spatiotemporal heterogeneity spanning a wide range. Membrane proteins are implicated in a wide variety of cellular functions, and comprise \~{}30\% of the human proteome and \~{}50\% of the current drug targets. Their interactions with membrane lipids are recognized as crucial elements in their function. In this article, we provide an overview of experimental and theoretical approaches to analyze membrane organization, dynamics, and lipid-protein interactions. In this context, we highlight the wide range of time scales that membrane events span, and approaches that are suitable for a given time scale. We discuss representative fluorescence-based approaches (FRET and FRAP) that help to address questions on lipid-protein and protein-cytoskeleton interactions in membranes. In a complimentary fashion, we discuss computational methods, atomistic and coarse-grain, that are required to address a given membrane problem at an appropriate scale. We believe that the synthesis of knowledge gained from experimental and computational approaches will enable us to probe membrane organization, dynamics, and interactions at increasing spatiotemporal resolution, thereby providing a robust model for the membrane in health and disease.
}, doi = {10.1039/9781782626695-00137}, author = {Sengupta, Durba and Kumar, G. Aditya and Prasanna, Xavier and Chattopadhyay, A.} } @inbook {43968, title = {Characterizing clinically relevant natural variants of GPCRs using computational approaches}, booktitle = {Methods in cell biology}, year = {2017}, abstract = {
G protein-coupled receptors (GPCRs) are an important class of drug targets owing to their physiological role. A large number of clinically relevant single nucleotide polymorphisms (SNPs) have been observed in GPCRs that are linked to disease susceptibility and adverse drug response. It is therefore important to characterize the variants in order to improve GPCR therapeutics. Here, we discuss computational methods coupling molecular dynamics simulations with docking and free energy calculations to characterize the functional differences in GPCR variants. The hallmark of this approach is the explicit incorporation of receptor and membrane dynamics that allows us to analyze short- and long-range effects in the variant receptors. We use the SNPs reported in β2-adrenergic receptor (β2AR) as a test case and highlight the recent successes in analyzing structural and dynamic differences in a series of population variants. The computational approach we discuss here has a twofold benefit: it helps to unravel the molecular mechanisms underlying hypo- or hyperfunctionality of variant receptors as well as prioritizing novel variants that must be experimentally tested.
}, doi = {10.1016/bs.mcb.2017.07.013}, author = {Sengupta, Durba and Sonar, Krushna and Joshi, Manali} } @article {45796, title = {Chemistry that impacts us (and the scientists behind them)}, journal = {Resonance}, volume = {22}, year = {2017}, month = {NOV}, pages = {979-981}, type = {Editorial}, issn = {09718044}, doi = {10.1007/s12045-017-0565-z}, author = {Kumaraswamy, G.} } @article {43809, title = {Chickpea-fusarium oxysporum interaction transcriptome reveals differential modulation of plant defense strategies}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {AUG}, type = {Article}, abstract = {Fusarium wilt is one of the major biotic stresses reducing chickpea productivity. The use of wilt-resistant cultivars is the most appropriate means to combat the disease and secure productivity. As a step towards understanding the molecular basis of wilt resistance in chickpea, we investigated the transcriptomes of wilt-susceptible and wilt-resistant cultivars under both Fusarium oxysporum f.sp. ciceri (Foc) challenged and unchallenged conditions. Transcriptome profiling using LongSAGE provided a valuable insight into the molecular interactions between chickpea and Foc, which revealed several known as well as novel genes with differential or unique expression patterns in chickpea contributing to lignification, hormonal homeostasis, plant defense signaling, ROS homeostasis, R-gene mediated defense, etc. Similarly, several Foc genes characteristically required for survival and growth of the pathogen were expressed only in the susceptible cultivar with null expression of most of these genes in the resistant cultivar. This study provides a rich resource for functional characterization of the genes involved in resistance mechanism and their use in breeding for sustainable wilt-resistance. Additionally, it provides pathogen targets facilitating the development of novel control strategies.}, doi = {10.1038/s41598-017-07114-x}, author = {Upasani, Medha L. and Limaye, Bhakti M. and Gurjar, Gayatri S. and Kasibhatla, Sunitha M. and Joshi, Rajendra R. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article {44111, title = {Chiral discrimination through h-1 nmr and luminescence spectroscopy: dynamic processes and solid strip for chiral recognition}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {DEC}, pages = {18303-18313}, type = {Article}, abstract = {The appropriate choice of the host molecules with well-defined optical activity (S-H/R-H) helps in the differentiation between two secondary ammonium ion-derivative guest molecules with different optical activities (R-G/S-G) based on the fluorescence resonance energy transfer (FRET)based luminescence responses. Crown ether-based host molecules with opposite chiral configurations (R-H, S-H) have been derived from 1,1{\textquoteright}-bi-2-naphthol (BINOL) derivatives that have axially chiral biaryl centers. These chiral crown ethers form host-guest complexes (i.e., [2] pseudoro-taxanes) with chiral secondary ammonium ion derivatives (R-G, S-G). NMR spectroscopic studies show that the complexes are in a dynamic equilibrium in solution. Results of the H-1 NMR and fluorescence spectroscopic studies indicate a head-on orientation of the host and guest in the [2] pseudorotaxanes. The difference in the efficiency in the FRET-based responses between anthracene and the BINOL derivatives allow efficient chiral discrimination of the guests. Isothermal titration calorimetry and NMR investigations reveal that inclusion complexes between hosts and guests of the same chirality (R-H center dot R-G, S-H center dot S-G) are more stable relative to those of opposite chirality (R-H center dot S-G, S-H center dot R-G). However, FRET-based energy-transfer efficiency is higher for R-H center dot S-G and S-H center dot R-G complexes. NMR spectroscopic studies show that the relative orientation of the guest in the host cavity is significantly different when the host binds a guest of the same or opposite chirality; furthermore, the latter is more favorable for FRET, thus enabling discrimination between enantiomers. Interestingly, chiral discrimination of guest ions could also be achieved by using silica surfaces modified with chiral host molecules.}, doi = {10.1002/chem.201704837}, author = {Gangopadhyay, Monalisa and Maity, Arunava and Dey, Ananta and Rajamohanan, P. R. and Ravindranathan, Sapna and Das, Amitava} } @article {44175, title = {Chitosan intercalated metal organic gel as a green precursor of fe entrenched and fe distributed N-doped mesoporous graphitic carbon for oxygen reduction reaction}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {SEP}, pages = {8762-8770}, type = {Article}, abstract = {
Herein, we present Metal-Organic Gel intercalated with chitosan, a {\textquoteleft}green{\textquoteright}{\textquoteright} precursor for the synthesis of intrinsic N-doped Fe entrenched (CHI-TMA-Fe-CW) and Fe distributed mesoporous graphitic carbon structures (CHI-TMA-Fe-CW-M1) with appreciable Oxygen Reduction Reaction (ORR) activity in alkaline medium. Modulation of the synthetic protocol as a function of reaction kinetics and gelation time while maintaining identical pyrolysis conditions (900 degrees C, flowing N-2 atmosphere) improves the microstructure, surface area and Fe distribution of the graphitic structures (CHI-TMA-Fe-CW-M1). CHI-TMA-Fe-CW has a Fe entrenched graphitic nanocapsule like morphology while Fe distributed mesoporous graphitic carbon sheets, with a specific surface area value of 565 m(2) g(-1) obtained by modulating the synthesis chemistry in CHI-TMA-Fe-CW-M1. The higher percentage of graphitic N in CHI-TMA-Fe-CW-M1 apparent from the XPS data validate that the modified synthetic method favours creation of more graphitic N sites contributing for better catalytic performance. CHI-TMA-Fe-CW-M1 catalyst exhibited comparable electrocatalytic activity with that of the commercially available Pt/C via an efficient four-electron-dominant ORR pathway with a positive onset potential value of 0.925 V vs RHE. Good durability of CHI-TMA-Fe-CW-M1 after 5000 cycles further confirm the prospects of MOG-chitosan and the feasibility to be used as a potential catalyst for ORR.
}, keywords = {electrocatalyst, fuel cell, Metal-Organic-Gel, oxygen reduction reaction}, issn = {2365-6549}, doi = {10.1002/slct.201701416}, author = {Shijina, Kottarathil and Illathvalappil, Rajith and Kurungot, Sreekumar and Nair, Balagopal N. and Mohamed, A. Peer and Yamaguchi, Takeo and Anilkumar, Gopinathan M. and Hareesh, U. S. and Sailaja, G. S.} } @article {43952, title = {CHO Cells Adapted to Inorganic Phosphate Limitation Show Higher Growth and Higher Pyruvate Carboxylase Flux in Phosphate Replete Conditions}, journal = {Biotechnology progress}, volume = {33}, year = {2017}, month = {MAY}, pages = {749-758}, type = {Article}, abstract = {Inorganic phosphate (P-i) is an essential ion involved in diverse cellular processes including metabolism. Changes in cellular metabolism upon long term adaptation to P-i limitation have been reported in E. coli. Given the essential role of P-i, adaptation to P-i limitation may also result in metabolic changes in animal cells. In this study, we have adapted CHO cells producing recombinant IgG to limiting P-i conditions for 75 days. Not surprisingly, adapted cells showed better survival under P-i limitation. Here, we report the finding that such cells also showed better growth characteristics compared to control in batch culture replete with P-i ( higher peak density and integral viable cell density), accompanied by a lower specific oxygen uptake rate and cytochrome oxidase activity towards the end of exponential phase. Surprisingly, the adapted cells grew to a lower peak density under glucose limitation. This suggests long term P-i limitation may lead to selection for an altered metabolism with higher dependence on glucose availability for biomass assimilation compared to control. Steady state U-C-13 glucose labeling experiments suggest that adapted cells have a higher pyruvate carboxylase flux. Consistent with this observation, supplementation with aspartate abolished the peak density difference whereas supplementation with serine did not abolish the difference. This supports the hypothesis that cell growth in the adapted culture might be higher due to a higher pyruvate carboxylase flux. Decreased fitness under carbon limitation and mutations in the sucABCD operon has been previously reported in E. coli upon long term adaptation to P-i limitation, suggestive of a similarity in cellular response among such diverse species. (C) 2017 American Institute of Chemical Engineers}, doi = {10.1002/btpr.2450}, author = {Maralingannavar, Vishwanathgouda; and Parmar, Dharmeshkumar and Pant, Tejal and Gadgil, Chetan and Panchagnula, Venkateswarlu and Gadgil, Mugdha} } @article {43502, title = {Cisplatin-induced self-assembly of graphene oxide sheets into spherical nanoparticles for damaging sub-cellular DNA}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JAN}, pages = {1409-1412}, abstract = {This report describes the hitherto unobserved cisplatin induced self-assembly of 2D-graphene oxide sheets into 3D-spherical nano-scale particles. These nanoparticles can encompass dual DNA damaging drugs simultaneously. A combination of confocal microscopy, gel electrophoresis and flow cytometry studies clearly demonstrated that these novel nanoparticles can internalize into cancer cells by endocytosis, localize into lysosomes, and damage DNA, leading to apoptosis. Cell viability assays indicated that these nanoparticles were more cytotoxic towards cancer cells compared to healthy cells.}, doi = {10.1039/c6cc09006k}, author = {Nandi, Aditi and Mallick, Abhik and More, Piyush and Sengupta, Poulomi and Ballav, Nirmalya and Basu, Sudipta} } @article {43376, title = {Clickable polyurethanes based on s- triazine ring containing aromatic diisocyanate bearing pendent alkyne group: synthesis and postmodification}, journal = {Journal of Polymer Science Part A Polymer Chemistry}, volume = {55}, year = {2017}, month = {MAR}, pages = {1008-1020}, type = {Article}, abstract = {A new s-triazine ring containing aromatic diisocyanate bearing a pendent alkyne group, namely, 2,4-bis(4-isocyanatophenoxy)-6-(prop-2-yn-1-yloxy)-1,3,5-triazine was synthesized and reacted with various diols viz., 1,10-decanediol, tetraethylene glycol and polyethylene glycols in the presence of dibutyltin dilaurate as the catalyst to obtain a series of linear polyurethanes. The selected polyurethanes possessing pendent alkyne groups were postmodified with chemically diverse azides viz., 1-(azidomethyl)benzene, 1-(azidomethyl)pyrene, and methoxy end-caped poly(ethylene glycol) azide via copper-catalysed azide-alkyne Huisgen 1,3-dipolar cycloaddition. FTIR and 1H NMR spectra indicated quantitative click reaction. UV{\textendash}vis and fluorescence spectroscopic analysis confirmed complete incorporation of pyrenyl groups indicating the formation of fluorescence active polyurethane by postmodification with 1-(azidomethyl)pyrene. TG analysis of polyurethanes indicated two stage weight loss and their thermal stability, as judged by T10 values, was governed by weight percent of urethane linkages. The water contact angle measurements revealed improved wettability with increased content of PEG either in the backbone of polyurethanes or as grafted chains. DLS and TEM studies confirmed that certain polyurethanes possessing PEG segments displayed self-assembly in aqueous solution, which was further supported by pyrene encapsulation studies using UV{\textendash}vis spectroscopy. {\textcopyright} 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 1008{\textendash}1020}, keywords = {Click chemistry, Diisocynate, Polyethelene Glycol, polyurethanes, Self- Assembly}, doi = {10.1002/pola.28461}, author = {Garg, Kavita and Chatterjee, Deepshikha and Wadgaonkar, Prakash} } @article {43781, title = {Click-chemistry-based multicomponent condensation approach for design and synthesis of spirochromene-tethered 1,2,3-triazoles as potential antitubercular agents}, journal = {Research on Chemical Intermediates}, volume = {43}, year = {2017}, month = {OCT}, pages = {5675-5690}, type = {Article}, doi = {10.1007/s11164-017-2955-y}, author = {Chavan, Pramod V. and Pandit, Kapil S. and Desai, Uday V. and Wadgaonkar, Prakash P. and Nawale, Laxman and Bhansali, Sujit and Sarkar, Dhiman} } @article {44173, title = {Clues from crystal structures pave the way to access chiral myo-inositol derived versatile synthons: resolution of racemic 4-o-allyl-myo-inositol-1,3,5-orthoesters via corresponding dicamphanates by crystallization}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {OCT}, pages = {5432-5440}, type = {Article}, abstract = {Racemic 4-O-allyl-myo-inositol-1,3,5-orthoesters were resolved as the corresponding diastereomeric dicamphanates by crystallization from alcoholic solvents. Crystals of the two diastereomers of myo-inositol orthoacetate and one diastereomer each of myo-inositol orthoformate and myo-inositol orthobenzoate were obtained in \>99\% purity, on gram scale. The configuration of all these diastereomers was established by conversion to known chiral myo-inositol derivatives as well as by single crystal structure analysis. It is interesting to note that the procedures for the separation of diastereomeric myo-inositol orthoesters could be evolved due to the knowledge of crystal growth and crystal structures of inositol derivatives of comparable molecular structures. Due to the synthetic versatility of myo-inositol orthoesters, the methods described provide rapid and convenient access to a variety of chiral inositol derivatives with high synthetic potential.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.7b00895}, author = {Patil, Nivedita T. and Shashidhar, Mysore S. and Tamboli, Majid I. and Gonnade, Rajesh G.} } @article {45701, title = {Co-catalytic metal oxide nanoparticles decorated silicon/hematite core shell nanowire arrays as efficient photo electrodes for water splitting}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {MAR }, pages = {2544-2551}, type = {Article}, abstract = {
By looking global energy demands, development of highly efficient stable semiconductor photoelectrodes for photoelectrochemical (PEC) water splitting is highly desirable. Herein, we have fabricated co-catalytic nanoparticles decorated Silicon nanowire (SiNWs)/Hematite(Fe2O3) core sell structures as photo anodes and studied the PEC water oxidation properties. As, Fe2O3 possess weak oxidation kinetics, decoration of NiO and Co3O4 nanoparticles on SiNW/Fe2O3 by hydrothermal method, which acts as co-catalysts to improves the water oxidation reactions. It was found that decoration of Co3O4 nanoparticles enhances the photocurrent up to 2.6 times, whereas for NiO nanoparticles improvement is of 1.5 times when compared to the undecorated electrodes. Along with enhancement of photocurrents, it also shows shift of onset potentials. The effect of the co-catalytic nanoparticles on the enhancement of photocurrent and charge transfer resistance at the interface of electrode-electrolyte have been studied by electrochemical impedance spectroscopy. Further, flat band potentials of the photo electrodes have been measured by using Mott-schottky analysis.
}, keywords = {Co-catalysts, photo anodes, Photoelectrochemical cell, silicon nanowires, water splitting}, issn = {2365-6549}, doi = {10.1002/slct.201700083}, author = {Devarapalli, Rami Reddy and Kamaja, Chaitanya Krishna and Shelke, Manjusha V.} } @article {44400, title = {Colloidal nanocomposite of TiN and N-doped few-layer graphene for plasmonics and electrocatalysis}, journal = {ACS Energy Letters}, volume = {2}, year = {2017}, month = {OCT}, pages = {2251-2256}, abstract = {
A combination of high carrier density, high surface area, solution processability, and low cost is desired in a material for electrocatalytic applications, including H-2 evolution and a counter electrode of a solar cell. Also, plasmonic-based applications in biological systems can be derived from such material. In this regard, a colloidal nanocomposite of TiN and N-doped few-layer graphene (TiN NFG) is synthesized from molecular precursors. TiN nano crystals (NCs) provide free electrons for electrical conductivity and plasmonics, whereas NFG is responsible for charge transport, high surface area, and colloidal stability. Colloidal TiN NFG nano composites exhibit a localized surface plasmon resonance band at around 700 nm. Coatings of the nanocomposite form a counter electrode for efficient (8.9\%) dye-sensitized solar cells. Furthermore, the nanocomposite acts as an efficient electrocatalyst for hydrogen evolution reaction, exhibiting an overpotential similar to 161 mV at a current density of 10 mA/cm(2).
}, doi = {10.1021/acsenergylett.7b00741}, author = {Shanker, G. Shiva and Markad, Ganesh B. and Jagadeeswararao, Metikoti and Bansode, Umesh and Nag, Angshuman} } @article {43541, title = {Colossal photo-conductive gain in low temperature processed TiO2 films and their application in quantum dot solar cells}, journal = {Applied Physics Letters}, volume = {110}, year = {2017}, month = {MAR}, pages = {Article Number: 123902}, abstract = {Colloidal quantum dot (QD) solar cells have seen remarkable progress in recent past to reach the certified efficiency of 10.6\%. Anatase titanium oxide (TiO2) is a widely studied n-type widow layer for the collection of photogenerated electrons in QD solar cells. Requirement of high temperature (similar to 500 degrees C) processing steps proved to be disadvantageous for its applications in flexible solar cells and roll to roll processing, and it also has adverse commercial implications. Here, we report that solar light exposure to low temperature processed (80 degrees C-150 degrees C) TiO2 and niobium doped TiO2 films leads to unprecedented enhancement in their electron densities and electron mobilities, which enables them to be used as efficient n-type layers in quantum dot solar cells. Such photoinduced high conducting states in these films show gradual decay over hours after the light bias is taken off and can be retrieved under solar illumination. On the contrary, TiO2 films processed at 500 degrees C show marginal photo induced enhancements in their characteristics. In bilayer configuration with PbS QDs, photovoltaic devices based on low temperature processed TiO2 films show improved performance over high temperature processed TiO2 films. The stability of photovoltaic devices also improved in low temperature processed TiO2 films under ambient working conditions. Published by AIP Publishing.}, doi = {10.1063/1.4978766}, author = {Mandal, Debranjan and Goswami, Prasenjit N. and Rath, Arup K.} } @article {43913, title = {Comparable ionicity of the solutions of aprotic and protic ionic liquids by anion substitution}, journal = {Journal of Solution Chemistry}, volume = {46}, year = {2017}, month = {JUN}, pages = {1-13 }, type = {Article}, abstract = {Temperature dependent molar conductances and fluidities of bisulfate and ethyl sulfate anion-based ionic liquids were measured. The extent of dissociation of the ionic liquids was estimated from the Walden plot in term of ionicity. The ionicity mainly depends on the magnitude of Coulombic forces, altered by the anion{\textquoteright}s Lewis basicity. Aqueous solutions of aprotic ionic liquids, in general, possesses ionicity in the range of ≈70{\textendash}99\%. This article reveals that the substitution of the anion by bisulfate and ethylsulfate reduces the ionicity of aqueous solution of these ionic liquids to the range of 10{\textendash}37\%. This is very close to that exhibited by some of the protic ionic liquids and phosphonium based ionic liquids with sweetner anions. The concentration dependent molar conductance of these ionic liquids has been fitted to Mahiuddin and Ismail{\textquoteright}s equation. To our surprise, the molar conductances of bisulfate-based aprotic ionic liquids are remarkably high, even though these ionic liquids possess lower ionicity.}, doi = {10.1007/s10953-017-0640-9}, author = {Jain, Preeti and Kumar, Anil} } @article {43812, title = {Comparative analysis of extractive and pressure swing distillation for separation of THF-water separation}, journal = {Computers \& Chemical Engineering}, volume = {103}, year = {2017}, month = {AUG}, pages = {188-200}, type = {Article}, abstract = {In the present work, extractive and pressure-swing distillation methods are analyzed in detail through steady state ASPEN Plus simulations to propose the most economic method for separation of equimolar mixture of THF-Water. Various solvents were evaluated and DMSO was identified as the most appropriate solvent, as it gave minimum Total Annual Cost (TAC) for desired purity. In case of pressure swing distillation, various pressure ranges were explored to achieve minimum TAC. Configurations for extractive and pressure swing distillation with heat integration were also worked out. The optimum designs of extractive and pressure swing distillation with and without heat integration were compared on a common basis of feed conditions and purity constraints. Results indicate that TAC of extractive distillation with heat integration is 5.2\% less than that of PSD with partial heat integration. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.compchemeng.2017.03.019}, author = {Ghuge, Pravin D. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {45667, title = {Compositional dependence of electrical conduction in solution grown Zn1-xCrxSe thin films: a correlation}, journal = {Journal of Materials Science: Materials in Electronics}, volume = {28 }, year = {2017}, month = {MAR}, pages = {5070-5074}, type = {Article}, abstract = {Zinc selenide (ZnSe) has a typical band gap of 2.7 eV suitable for window application and can easily be synthesized using a liquid phase chemical bath deposition. An attempt is made to tune its band gap and other characteristics to cope with a maxima of the solar spectrum by deliberate addition of Cr3+. ZnSe and Zn1-xCrxSe (0 <= x <= 0.35) thin films were obtained under the controlled deposition conditions (temperature = 70 A degrees C, time = 210 min, pH = 10, etc). The compositional analysis showed Zn2+ replacement by Cr3+. The X-ray photoelectron spectroscopy revealed chemical states of the constituents Zn, Cr and Se as 2(+), 3(+) and 2(-) respectively. The electrical conductivity and thermo-power measurements in the 300-550 K temperature range showed semiconducting nature of the material and that the electrical conduction is of the n-type. The electrical conductivity is found to be increased continuously up to x = 0.05 and then decreased for further increase in x. The Hall-probe measurements also confirmed n-type conduction. The average Hall coefficient for pure ZnSe is -1.03 x 10(7) cm(3)/C whereas, it is -4.55 x 10(6) cm(3)/C for a sample with x = 0.35.}, doi = {10.1007/s10854-016-6144-3}, author = {Deshmukh, S. L. and Pingale, P. C. and Chavan, G. T. and Pawar, S. T. and Prakshale, V. M. and Kamble, S. S. and Jadkar, S. R. and Chaure, N. B. and Gopinath, C. S. and Maldar, N. N. and Deshmukh, L. P.} } @article {45799, title = {Computational intelligence based models for prediction of elemental composition of solid biomass fuels from proximate analysis}, journal = {International Journal of Systems Assurance Engineering and Management}, volume = {8}, year = {2017}, month = {DEC}, pages = {2083-2096}, type = {Article}, abstract = {Biomass is a renewable and sustainable source of {\textquotedblleft}green{\textquotedblright} energy. The elemental composition comprising carbon (C), hydrogen (H) and oxygen (O) as major components, is an important measure of the biomass fuel{\textquoteright}s energy content. Its knowledge is also valuable in: (a) computing material balance in a biomass-based process, (b) designing and operating biomass utilizing efficient and clean combustors, gasifiers and boilers, (c) fixing the quantity of oxidants required for biomass combustion/gasification, and (d) determining the volume and composition of the combustion/gasification gases. Obtaining the elemental composition of a biomass fuel via ultimateanalysis is an expensive and time-consuming task. In comparison, proximate analysis that determines fixed carbon, ash, volatile matter and moisture content is a cruder characterization of the fuel and easier to perform. Thus, there exists a need for models possessing high accuracies for predicting the elemental composition of a solid biomass fuel from its proximate analysis constituents. Accordingly, this study utilizes three computational intelligence (CI) formalisms, namely, genetic programming, artificial neural networks and support vector regression, for developing nonlinear models for the prediction of C, H and O fractions of solid biomass fuels. A large database of 830 biomasses has been used in the stated model development. A comparison of the prediction accuracy and generalization performance of the nine CI-based models (three each for C, H and O) with that of the currently available linear models indicates that the CI-based models have consistently and significantly outperformed their linear counterparts. The models developed in this study have proved to be the best models for the prediction of elemental composition of solid biomass fuels from their proximate analyses. }, issn = {09756809}, doi = {10.1007/s13198-014-0324-4}, author = {Ghugare, S.B. and Tiwary, S. and Tambe, S.S.} } @article {43931, title = {Computational strategies to explore antimalarial thiazine alkaloid lead compounds based on an australian marine sponge plakortis lita}, journal = {Journal of biomolecular Structure \& Dynamics}, volume = {35}, year = {2017}, month = {AUG}, pages = {2407-2429}, type = {Article}, abstract = {In this work, an attempt was made to propose new leads based on the natural scaffold Thiaplakortone-A active against malaria. The 2D QSAR studies suggested that three descriptors correlate with the anti-malarial activity with an R2 value of 0.814. Robustness, reliability and predictive power of the model were tested by internal validation, external validation, Y-scrambling and Applicability domain analysis. HQSAR studies were carried out as an additional tool to find the sub-structural fingerprints. The CoMFA and CoMSIA models gave Q2 values of 0.813 and 0.647, and R2ncv values of 0.994 and 0.984, respectively. Using the 2D-QSAR equation, the activity values of the seven modified compounds were calculated and it was found that three molecules showed good anti-malarial activity. Molecular docking of the 42 Thiaplakortone-A derivatives with P. falciparum calcium-dependent protein kinase 1 (PfCDPK1) was carried out to find out protein-ligand interactions. Data mining of the bioassay dataset AID: 504850 using the classifier based on Random Forest (RF) of Weka suggested that all of the eight molecules selected and three out of the seven virtual molecules were anti-malarial active. Both the virtual molecules and drug molecules were docked with CYP3A4, indicating that the virtual molecules could metabolize easily. Toxicity studies using Osiris shows that three molecules showed no toxic characters.}, doi = {10.1080/07391102.2016.1220870}, author = {Lilly, Aswathy and Jisha, R. S. and Masand, Vijay H. and Gajbhiye, Jayant M. and Shibi, Indira G.} } @article {45730, title = {Computational survey of ligand properties on iron(III)-iron(II) redox potential: exploring natural attenuation of nitroaromatic compounds}, journal = {Monatshefte Fur Chemie}, volume = {148}, year = {2017}, month = {APR}, pages = {655-668}, type = {Article}, abstract = {
This study is a computational investigation of the ligand effect on the redox potential of iron redox couple aimed at screening these systems for novel applications. The influence of common and naturally available organic compounds with diverse ligand characteristics (nature of donor site, chelation, pre-organization, degree of back acceptance) on the redox potential of iron(III)-iron(II) redox couple has been theoretically calculated using an appropriate level of density functional theory (DFT). The DFT calculated redox potentials of iron complexes are explored to supplement, corroborate, and predict the experimental behavior of the studied systems towards environmental reduction of nitroaromatic compounds to corresponding anilines. The comparative avidity of iron complexes with cysteine derivatives for the reduction of nitroaromatic compounds has been theoretically explored and based on structure-activity relationship; new iron complexes with a range of reactivity and enhanced ability towards nitroaromatic reduction have been predicted.
}, keywords = {Catechol derivatives, computational chemistry, Density functional theory, Iron complexes, Ligand effect on redox potential, Natural attenuation, Nitroaromatic compounds}, issn = {0026-9247}, doi = {10.1007/s00706-016-1813-8}, author = {Rizvi, Masood Ahmad and Mane, Manoj and Khuroo, Mohammad Akbar and Peerzada, Ghulam Mustafa} } @article {43165, title = {Concise approach for central core of trigolutes: total synthesis of trigolute B and 3-epi-trigolute B and analogues}, journal = {Tetrahedron}, volume = {73}, year = {2017}, month = {FEB}, pages = {888 - 899}, abstract = {
A concise approach comprising a combination of the Pd- or Ir-catalyzed Tsuji-Trost allylation and olefin dihydrox-ylation/acid catalyzed lactonization has been developed to construct the central spirolactone core of trigolutes with the requisite functional groups. A large number of analogues of trigolute B have been synthesized. Furthermore, the synthesis of both ({\textpm})-trigolute B and ({\textpm})-3-epi-trigolute B has been accomplished in 4{\textendash}5 steps from easily accessible building blocks.
}, author = {Reddy, B. Narendraprasad and Ramana, Chepuri V.} } @article {43484, title = {Concise enantioselective synthesis of 1,4-dideoxy-1,4-imino-D-arabinitol using Co(III)(salen)-catalyzed hydrolytic kinetic resolution of a two-stereocentered anti-azido epoxide}, journal = {Tetrahedron-Asymmetry}, volume = {28}, year = {2017}, month = {JAN}, pages = {162-165}, abstract = {A concise enantioselective synthesis of 1,4-dideoxy-1,4-imino-D-arabinitol, (+)-DAB-1, has been described in good overall yield (18.1\%) and with high enantiomeric purity (up to 98\% ee) starting from a simple raw material, cis-2-butene-1,4-diol. The Co-catalyzed hydrolytic kinetic resolution of a two-stereocentered racemic azido epoxide followed by asymmetric dihydroxylation of the alkene and {\textquoteright}one pot{\textquoteright} reductive cyclisation of the azido diol are key reactions in the synthetic sequence. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetasy.2016.10.013}, author = {Reddi, Rambabu N. and Prasad, Pragati K. and Kalshetti, Rupali G. and Sudalai, Arumugam} } @article {45744, title = {Concurrent synthesis of SnO/SnO2 nanocomposites and their enhanced photocatalytic activity}, journal = {Journal of Solid State Electrochemistry}, volume = {21}, year = {2017}, month = {JAN}, pages = {9-17}, type = {Article}, abstract = {
The SnO/SnO2 nanocomposites were synthesized using semisolvothermal reaction technique. These nanocomposites were prepared using different combination of solvents viz., ethanol, water, and ethylene glycol at 180 A degrees C for 24 h. The synthesized nanocomposites were analyzed with various characterization techniques. Structural analysis indicates the formation of tetragonal phase of SnO2 for the sample prepared in ethanol, whereas for other solvent combinations, the mixture of SnO and SnO2 having tetragonal crystal structures were observed. The optical study shows enhanced absorbance in the visible region for all the prepared SnO/SnO2 nanocomposites. The observed band gap was found to be in the range of 3.0 to 3.25 eV. Microstructural determinations confirm the formation of nanostructures having spherical as well as rod-like morphology. The size of nanoparticles in ethanol-mediated solvent was found to be in the range of 5 to 7 nm. Thermogravimetric analysis indicate the weight gain around 1.3 wt\% confirming the conversion of SnO to SnO2 material. The photocatalytic activity of synthesized nanocomposites was evaluated by following the aqueous methylene blue (MB) degradation. The sample prepared in ethylene glycol-mediated solvent showed highest photoactivity having apparent rate constant (K-app) 0.62 x 10(-2) min(-1).
}, keywords = {Dye-degradation, Nanocomposite, Photocatalysis, tin oxide}, issn = {1432-8488}, doi = {10.1007/s10008-016-3328-y}, author = {Roy, Animesh and Arbuj, Sudhir and Waghadkar, Yogesh and Shinde, Manish and Umarji, Govind and Rane, Sunit and Patil, Kashinath and Gosavi, Suresh and Chauhan, Ratna} } @article {43519, title = {Conformational and functional transitions and in silico analysis of a serine protease from conidiobolus brefeldianus (MTCC 5185)}, journal = {International Journal of Biological Macromolecules}, volume = {98}, year = {2017}, month = {MAY}, pages = {387-397}, abstract = {This work describes functional and structural transitions of a novel protease isolated from Conidiobolus brefeldianus MTCC 5185 (Cprot), in detail using biophysical and bioinformatics tools. The commercial importance of Cprot in silk and leather industries made it an interesting candidate for structural investigations. Cprot possesses 8.2\%alpha-helix, 31.1\% beta-sheet and 23.8\% turns. The enzyme was found to be active over a wide pH range and up to 55 degrees C. The protease was also stable in organic solvents up to 50\% (v/v) concentration of alcohols and DMSO for >24 h and in 2 M guanidine hydrochloride for >12 h. Cprot was also resistant to trypsin, chymotrypsin, proteinase K and fluorinated alcohols (5-10\%). The melting temperatures observed for the native Cprot and for the enzyme treated under various stress conditions correlated well with the corresponding structural and functional transitions obtained. The structural information was supported by the homology model of its closest homologue from C. coronatus; revealing its similarity to PA clan of proteases (Proteases of mixed nucleophile, superfamily A), with His-64, Asp-113 and Ser-208 as putative catalytic triad. Three tryptophan residues in Cprot are surrounded by positively charged residues, as evident from solute quenching studies and homology model. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.ijbiomac.2017.01.124}, author = {Shukla, Ekta and Agrawal, Sanskruthi B. and Gaikwad, Sushama M.} } @inbook {43953, title = {Conformational dynamics of intracellular tau protein revealed by cd and saxs}, booktitle = {Methods in Molecular Biology}, volume = {1523}, year = {2017}, pages = {3-20}, chapter = {Conformational dynamics of intracellular tau protein revealed by CD and SAXS}, abstract = {
A native conformation of a protein is essential for its biological role. In certain conditions, some proteins show non-native conformations, leading to aggregation, which in turn may produce severe pathologies. Such physiological conditions are classified as protein misfolding diseases. Alzheimer{\textquoteright}s disease (AD) is the most common form of dementia. Extracellular senile plaques formed by Amyloid β and intracellular aggregates formed by microtubule-associated protein Tau (MAPT) are the hallmarks of AD. Physiological role of MAPT is to maintain the integrity and stability of microtubules, however it tends to self-aggregate forming intracellular paired helical filaments (PHFs) during AD. MAPT is also subjected to various post-translational modifications such as phosphorylation, glycosylation, truncation, and acetylation. Being natively unfolded, MAPT is prone to full characterization at atomic level. Small-angle X-ray scattering (SAXS) is often applied in combination with other biophysical methods, like nuclear magnetic resonance (NMR), circular dichroism (CD), fluorescence spectroscopy, analytical ultracentrifugation (AUC), or dynamic light scattering (DLS) to characterize natively unfolded systems. Here we describe the practical aspects of MAPT characterization by SAXS and CD in detail as well as outline the inferred structural and functional implications.
}, doi = {10.1007/978-1-4939-6598-4_1}, author = {Gorantla, vijay nalini and Alexander, V. Shkumatov and Chinnathambi, Subashchandrabose} } @article {45661, title = {Constructing ultraporous covalent organic fameworks in seconds via an organic terracotta process}, journal = {Journal of the American Chemical Society }, volume = {139}, year = {2017}, month = {FEB}, pages = {1856-1862}, type = {Article}, abstract = {
Research on covalent organic frameworks (COFs) has recently gathered significant momentum by the virtue of their predictive design, controllable porosity, and long-range ordering. However, the lack of solvent-free and easy-to-perform synthesis processes appears to be the bottleneck toward their greener fabrication, thereby limiting their possible potential applications. To alleviate such shortcomings, we demonstrate a simple route toward the rapid synthesis of highly crystalline and ultraporous COFs in seconds using a novel salt-mediated crystallization approach. A high degree of synthetic control in interlayer stacking and layer planarity renders an ordered network with a surface area as high as 3000 m(2) g-(1). Further, this approach has been extrapolated for the continuous synthesis of COFs by means of a twin screw extruder and in situ processes of COFs into different shapes mimicking the ancient terracotta process. Finally, the regular COF beads are shown to outperform the leading zeolites in water sorption performance, with notably facile regeneration ability and structural integrity.
}, issn = {0002-7863}, doi = {10.1021/jacs.6b08815}, author = {Karak, S. and Kandambeth, S. and Biswal, B. P. and Sasmal, H. S. and Kumar, S. and Pachfule, P. and Banerjee, R.} } @article {43566, title = {Continuous flow telescopic oxidation of alcohols via generation of chlorine and hypochlorite}, journal = {Reaction Chemistry \& Engineering}, year = {2017}, month = {MAR}, abstract = {A 3-step continuous flow oxidation of alcohols is demonstrated with continuous generation of chlorine as the first step followed by its use for the flow synthesis of high strength sodium hypochlorite. The solution is subsequently used for oxidation of alcohols in the presence of a catalytic amount of the nitroxyl radical {\textquotedblleft}TEMPO{\textquotedblright}, which inhibits oxidation at the aldehyde stage. Selective oxidations of eight different alcohols were demonstrated. To achieve identical yields, the aromatic alcohols containing electron withdrawing groups needed a longer residence time than aliphatic alcohols.}, doi = {10.1039/C6RE00225K}, author = {Sharma, Y. and Moolya, S. and Joshi, Ramesh A. and Kulkarni, Amol A.} } @book {45779, title = {Control of polymerization reactors}, year = {2017}, pages = {1-355}, publisher = {CRC Press}, organization = {CRC Press}, edition = {1st}, address = {New York }, abstract = {
This reference and text provides an in-depth description of developments in control techniques and their application to polymerization reactors and offers important introductory background information on polymerization reaction engineering.;Discussing modelling, identification, linear, nonlinear and multivariable schemes, Control of Polymerization Reactors: presents all available techniques that can be used to control reactors properly for optimal performance; shows how to manipulate pivotal variables that affect reactor control; examines methods for deriving dynamic process models to improve reactor efficiency; reviews reactor control problems and points out end-use properties; supplies methods for measuring process variables, and ways to estimate variables that can{\textquoteright}t be measured; and explains how single-input, single-output (SISO) strategies can be effectively used for control.;Filled with illustrative examples to clarify concepts, including more than 730 figures, tables and equations, Control of Polymerization Reactors is intended for use as a reference for chemical, process development, process design, research and development, control systems, and polymer engineers; and polymer chemists and physicists; as well as a text for upper-level undergraduate and graduate students in polymerization reactor control courses.
}, isbn = {978-082479043-1}, doi = {10.1201/9781315140322}, author = {Schurk, F. J and Deshpande, P. B and Leffew, K. W. and Nadkarni, V. M.} } @article {43561, title = {Controlling necking in extrusion film casting using polymer nanocomposites}, journal = {Journal of Macromolecular Science Part B-Physics}, volume = {56}, year = {2017}, month = {FEB}, pages = {213-233}, abstract = {The research described was concerned with the effect of layered-silicate-based organically modified nanoclay fillers on controlling the extent of necking in a polymer melt extrusion film casting (EFC) process. We show that a linear polythylene resin (such as a linear low-density polyethylene-LLDPE) filled with a very low percentage of well-dispersed (or intercalated) nanoclay displays an enhanced resistance to the necking phenomenon. In general, melt-compounded nanoclay-filled LLDPE resin formulations displayed a higher final film width (less necking), thus a lower final film thickness (greater draw down for the same draw ratio), and cooled down faster when compared to the base LLDPE resin. Incorporation of nanoclay filler in the mainly linear chain LLDPE resin led to significant modification of the melt rheological properties that, in turn, affected the melt processability of these formulations. Primarily, the intercalated nanoclay-filled LLDPE formulations displayed the presence of strain-hardening in unaxial extensional rheology. Additionally, the presence of well-dispersed nanoclay in the LLDPE resin led to a display of prominent extrudate swell indicating the presence of melt elasticity in such formulations. The presence of melt elasticity, as shown by shear rheology and strain-hardening, observed by uniaxial extensional rheology, contributed to the LLDPE nanoclay formulations displaying an enhanced resistance to necking for these films. It can be concluded that linear chain polymers susceptible to necking in an EFC process can be made more resistant to such necking by using nanoclay fillers at very low levels of loading.}, doi = {10.1080/00222348.2017.1289797}, author = {Rokade, Dhammaraj and Azad, Lal B. and Poddar, Suparna and Mishra, Satyendra and Pol, Harshawardhan V. and Shukla, Rishab} } @article {43929, title = {Convenient new and efficient commercial synthetic route for dasatinib (sprycel{\textregistered})}, journal = {Synthetic Communications}, volume = {47}, year = {2017}, month = {JUN}, pages = {1610-1621}, type = {Article}, abstract = {A new and efficient synthetic route for dual Src/Abl kinase inhibitor Dasatinib (Sprycel{\textregistered}), an anticancer drug, is described. This commercially viable process yields Dasatinib monohydrate free of potential impurities with consistent yield of 68\% in route A and 61\% in route B with HPLC purity >99.80\% over 4 stages.}, doi = {10.1080/00397911.2017.1337150}, author = {Suresh, Garbapu and Nadh, Ratnakaram Venkata and Srinivasu, Navuluri and Yennity, Durgaprasad} } @article {45738, title = {Convenient route for Au@Ti-SiO2 nanocatalyst synthesis and its application for room temperature CO oxidation}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {MAR }, pages = {4946-4957}, type = {Article}, abstract = {
Small gold nanoparticles.of size less than 5 nm encapsulated inside titanium modified silica shell have been reported. Here, a modified sol-gel method, which is a one-step process, produces Au@Ti-SiO2 nanocatalyst with a good control of titanium loading. With a titanium loading of 0.9 and 2.2 wt \% in silica, unprecedented low temperature activity (full conversion) is observed for this catalyst for CO oxidation reaction compared to Au@SiO2 catalyst. A combination of optimum sized gold nanoparticles with a large amount of oxygen vacancies created due to Ti incorporation in silica matrix is considered to be the reason for this enhanced catalytic activity. The size of.gold nanoparticles is maintained even after high temperature pretreatments, which show the benefit of encapsulation. The effect of the various pretreatments on the catalytic activity has also been reported.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.6b10202}, author = {Soni, Yogita and Kumar, Anumol Erumpukuthical Ashok and Nayak, Chandrani and Deepak, Francis Leonard and Vinod, C. P.} } @article {43653, title = {Copper and silver nanoparticles stabilized by bistriazole-based dendritic amphiphile micelles for 4-nitrophenol reduction}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {JUN}, pages = {4546-4554}, type = {Article}, abstract = {Copper and silver nanoparticles were fabricated in aqueous solution using micellar assemblies of dendritic amphiphiles containing triazole rings. Dendritic amphiphiles displaying a bistriazole unit between a hydrophobic benzyl ether dendron and two oligo(ethylene glycol) (OEG) chains were synthesized using click chemistry. Micelles were characterized by DLS, TEM, CMC determination, and dye encapsulation. Micellar size was dependent on the dendron backbone structure and OEG chain length. Metal nanoparticles were characterized by TEM and UV-Vis spectroscopy. The Cu NPs had a smaller average particle diameter than the Ag NPs. The micelle-stabilized nanoparticles, at a concentration of 7.5 ppm, were shown to efficiently catalyze the reduction of 4-nitrophenol to 4-aminophenol in the presence of NaBH4 in aqueous solution without stirring, using up to 1 ppm of substrate. The reaction catalyzed by Cu NPs followed zero order kinetics (k = 3.48 x 10(-3) M s(-1)), while the Ag NP-catalyzed reaction followed pseudo-first order kinetics (k = 1.28 x 10(-3) s(-1)).}, doi = {10.1039/c7nj00605e}, author = {Patil, Naganath G. and Basutkar, Nitin B. and Ambade, Ashootosh V.} } @article {43899, title = {Copper Cobalt Sulfide Nanosheets Realizing a Promising Electrocatalytic Oxygen Evolution Reaction}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {SEP}, chapter = {5871-5879}, abstract = {
Nanostructured CuCo2S4, a mixed metal thiospinel, is found to be a benchmark electrocatalyst for oxygen evolution reaction (OER) in this study with a low overpotential, a low Tafel slope, a high durability, and a high turnover frequency (TOF) at lower mass loadings. Nanosheets of CuCo2S4 are realized from a hydrothermal synthesis method in which the average thickness of the sheets is found to be in the range of 815 nm. Aggregated nanosheets form a highly open hierarchical structure. When used as an electrocatalyst, CuCo2S4 nanosheets offer an overpotential value of 310 mV at a 10 mA cm(2) current density, which remains consistent for 10000 measured cycles in a 1 M KOH electrolyte. A chronoamperometric study reveals constant oxygen evolution for 12 h at a 10 mV s(-1) scan rate without any degradation of the activity. Furthermore, the calculated mass activity of the CuCo2S4 electrocatalyst is found to be 14.29 A/g and to afford a TOF value of 0.1431 s(-1) at 310 mV at a mass loading of 0.7 mg cm(-2). For comparison, nanostructures of Co3S4 and Cu0.5Co2.5S4 have been synthesized using a similar method followed for CuCo2S4. When compared to the OER activities among these three thiospinels and standard IrO2, CuCo2S4 nanosheets offered the highest OER activities at the same mass loading (0.7 mg/cm(-2)). Extensive X-ray photoelectron spectroscopy and electron paramagnetic resonance analyses for a mechanistic study reveal that introduction of Cu into the Co3S4 lattice enhances the oxygen evolution and kinetics by offering Cu2+ sites for utilitarian adsorption of OH, O, and OOH reactive species and also by offering a highly active high-spin state of octahedral Co3+ for OER catalysis.
}, keywords = {Bifunctional Electrocatalyst, Catalyst, Cuco2s4, Efficient Electrocatalyst, electrocatalyst, Electronic-structure, Nanoparticles, Nanosheet, oxide, oxygen evolution, performance, Recent Progress, Water oxidation, Water Splitting Hydrogen Evolution}, doi = { 10.1021/acscatal.7b01831}, author = {Chauhan, Meenakshi and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {45686, title = {Copper oxide supported on three-dimensional ammonia-doped porous reduced graphene oxide prepared through electrophoretic deposition for non-enzymatic glucose sensing}, journal = {Electrochimica Acta}, volume = {224}, year = {2017}, month = {JAN}, pages = {346-354}, type = {Article}, abstract = {The paper reports on the preparation of N-doped porous reduced graphene oxide/copper oxide (ammonia-doped-prGO/CuO) nanocomposite on gold electrodes using electrophoretic deposition (EPD) from an ethanolic suspension of ammonia-doped-prGO and Cu(ClO4)(2) by applying a DC voltage. The ammonia-doped-prGO/CuO nanocomposite film thickness is controlled by varying the deposition time. Morphological analysis using scanning electron microscopy (SEM) showed the formation of a 3 dimensional structure with CuO nanoparticles being homogeneously embedded in the graphene layer. Xray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and Raman analysis revealed that the deposited copper was in its oxidized form, mainly CuO. The Au/ammonia-doped-prGO/CuO electrode was successfully applied for non-enzymatic amperometric detection of glucose. Under optimized conditions, the electrode exhibited a sensitivity of 1210 mu mM(-1) cm(-2) with a detection limit of 0.25 p,M (S/N =3) over a wide concentration range (0.25 mu M to 6 mM) at an applied potential of +0.50 V vs. Ag/AgCl. The electrode material displayed good stability, excellent selectivity, and accurate measurement in healthy and diabetic human serum samples. }, doi = {10.1016/j.electacta.2016.12.078}, author = {Maaoui, H. and Singh, S. K. and Teodorescu, F. and Coffinier, Y. and Barras, A. and Chtourou, R. and Kurungot, S. and Szunerits, S. and Boukherroub, R.} } @article {45803, title = {Corrigendum: Agro-Industrial wastes for production of biosurfactant by bacillus subtilis ANR 88 and its application in synthesis of silver and gold nanoparticles [Front. Microbiol. 8, (492)] DOI: 10.3389/fmicb.2017.00492}, journal = {Frontiers in Microbiology}, volume = {8}, year = {2017}, month = {MAY}, type = {Erratum}, doi = {10.3389/fmicb.2017.00878}, author = {Rane, A.N. and Baikar, V. V. and Ravi Kumar, V. and Deopurkar, R. L.} } @article {43880, title = {Coumarin-appended stable fluorescent self-complementary quadruple-hydrogen-bonded molecular duplexes}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUN}, pages = {6403-6408}, type = {Article}, abstract = {In this paper we report a coumarin-conjugated self-assembling system adorned with valuable features such as high duplex stability and a built-in fluorophore, which would augment its application potential. This system forms a highly :stalik molecular duplex in a nonpolar solvent (K-dim > 1.9 X 10(7) M-1 in CDCl3). Due to the fluorescent property of coumarin, these new structural motifs may find potential application in material chemistry and supramolecular chemistry.}, doi = {10.1021/acs.joc.7b01249}, author = {Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Shinde, Dinesh R. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {43909, title = {Covalent organic frameworks and organic cage structures}, journal = {CrystEngComm}, volume = {19}, year = {2017}, month = {SEP}, chapter = {4866-4867}, issn = {1466-8033}, doi = {10.1039/c7ce90115a}, author = {Banerjee, Rahul and Champness, Neil R.} } @article {45703, title = {Critical role of select peptides in the loop region of G-rich PNA in the preferred G-quadruplex topology and stability}, journal = {Tetrahedron}, volume = {73}, year = {2017}, month = {MAR}, pages = {1534-1540}, type = {Article}, abstract = {
An uncharged PNA 15mer sequence formed unimolecular antiparallel G-quadruplex similar to that observed for DNA-TBA. Replacement of {\textquoteleft}tt{\textquoteright} loop regions by peptides which induce helices or turns were found to have unpresidented effect on the quadruplex topology and stability. This study opens up a completely new strategy of utilizing G-quadruplex formation to display the array of functional groups in the three dimensional space thus creating a possibility of getting closer to the dream of designed peptides with three dimensional structures as observed in catalytic protein folds. (C) 2017 Elsevier Ltd. All rights reserved.
}, keywords = {ESI-MS study, G-quadruplex, Peptide nucleic acid, topology}, issn = {0040-4020}, doi = {10.1016/j.tet.2017.01.055}, author = {Bose, Tanaya and Kumar, Vaijayanti A.} } @article {43877, title = {Cross-coupling reactions of aryldiazonium salts with allylsilanes under merged gold/visible-light photoredox catalysis}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {JUN}, pages = {3075-3078}, type = {Article}, abstract = {A method for the cross-coupling reactions of aryldiazonium salts with trialkylallylsilanes via merged gold/photoredox catalysis is described. The reaction is proposed to proceed through a photoredox-promoted generation of an electrophilic arylgold(III) intermediate that undergoes transmetalation with allyltrimethylsilane to form allylarenes.}, doi = {10.1021/acs.orglett.7b01148}, author = {Akram, Manjur O. and Mali, Pramod S. and Patil, Nitin T.} } @article {45768, title = {Crystallisation-enhanced bulk hole mobility in phenothiazine-based organic semiconductors}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {APR }, pages = {46268}, type = {Article}, abstract = {
A series of three novel donor-acceptor systems based on C(3)-malononitrile-substituted phenothiazines was synthesised in good overall yields and their thermal, spectroscopic, and electrochemical properties were characterised. The compounds were prepared through a sequence of Ullmann-coupling, Vilsmeier-Haack formylation and Knoevenagel-condensation, followed by Suzuki-coupling reactions for introduction of aryl substitutents at C(7) position of the phenothiazine. The introduction of a donor unit at the C(7) position exhibited a weak impact on the optical and electrochemical characteristics of the compounds and led to amorphous films with bulk hole mobilities in the typical range reported for phenothiazines, despite the higher charge delocalisation as attested by computational studies. In contrast, highly ordered films were formed when using the C(7)-unsubstituted 3-malononitrile phenothiazine, exhibiting an outstanding mobility of 1 x 10(-3) cm(2) V-1 s(-1), the highest reported for this class of compounds. Computational conformational analysis of the new phenothizanes suggested that free rotation of the substitutents at the C(7) position suppresses the ordering of the system, thereby hampering suitable packing of the new materials needed for high charge carrier mobility.
}, issn = {2045-2322}, doi = {10.1038/srep46268}, author = {Shinde, D. B. and Salunke, Jagadish K. and Candeias, Nuno R. and Tinti, Francesca and Gazzano, Massimo and Wadgaonkar, P. P. and Priimagi, Arri and Camaioni, Nadia and Vivo, Paola} } @article {43862, title = {C(sp(3))-F, C(sp(2))-F and C(sp(3))-H bond activation at silicon(II) centers}, journal = {Chemical Communication}, volume = {53}, year = {2017}, month = {SEP}, chapter = {9850-9853}, abstract = {
Silylene [PhC(NtBu)(2)SiN(SiMe3)(2)] (1) cleaves the C(sp(3))-H and C-F bonds of acetophenone and 1,1,1-trifluoroacetophenone, respectively, under mild conditions. The reaction is initiated via a nucleophilic attack from the oxygen to the silicon atom followed by C-F/H bond cleavage. The scope of C-F bond activation has further been extended with C6F6 and C6F5CF3.
}, keywords = {Boron triple bond, C-F Bond, Fluorinated Building-Block, H Activation, Ketones, N-heterocyclic carbenes, Oxodative Addition, Perfluorinated Arenes, Selective Activation, Transition-Metal Centers}, issn = {1359-7345}, doi = {10.1039/c7cc05145j}, author = {Swamy, V. S. V. S. N. and Parvin, Nasrina and Raj, K. Vipin and Sen, Sakya S.} } @article {44003, title = {CuCo2O4 nanowall morphology as Li-ion battery anode: Enhancing electrochemical performance through stoichiometry control}, journal = {Materials Research Bulletin}, volume = {90}, year = {2017}, month = {JUN}, pages = {303-310}, type = {Article}, abstract = {
We have employed template-free synthesis of CuCo2O4 (CCO) system to achieve unique ultrathin porous nanowall type morphology, and evaluated for Li-Ion battery anode application. We observe that under the hydrothermal growth a starting stoichiometric mixture of cationic precursor{\textquoteright}s leads to a bi-phasic constitution comprising of defect-spinel CCO and a small quantity of CuO. Use of the excess but optimum cobalt in the precursor mix leads to single phase defect-spinel. We have carefully examined the implications of off-stoichiometry for different cases of interest (including the case of Cu-excess) for morphology, microstructure, the physical/electrochemical properties, and the evolution of the Li-ion battery anode under cycling for different active materials loading. In case of optimum Cu excess based CCO renders an impressive performance as Li-ion battery anode with high rate performance, 836 mAh g-1 and 757 mAh g-1 at 1.25C and 2.5C, respectively, and good cycling stability. {\textcopyright} 2016 Elsevier Ltd
}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2016.12.014}, author = {Bhardwaj, M. and Suryawanshi, A. and Fernandes, R. and Tonda, S. and Banerjee, A. and Kothari, D. and Ogale, S.} } @article {44153, title = {Cucurbit[7]uril induced formation of fret-enabled unilamellar lipid vesicles}, journal = {Langmuir}, volume = {33}, year = {2017}, month = {OCT}, pages = {10989-10999}, type = {Article}, abstract = {A unique fluorescence resonance energy transfer (FRET) process is found to be operational in a unilamellar lipid self-assembly in the aqueous phase. A newly synthesized naphthyl based long chain lipid derivative [N-(naphthalene-1-ylmethyl)tetradecane-1-ammonium chloride, 14NA(+)] forms various self-assembled architectures in the aqueous phase. Controlled changes in lipid concentration lead to a transition of the self-assemblies from micelles to vesicles to rods. In the presence of cucurbit[7]uril (CB7), 14NA(+) forms a host-guest [2]pseudorotaxane complex (CB7(sic)14NA(+)) and secondary interactions lead to the formation of a lipid bilayer with hydrophobic pockets situated in between the layers. The change in the structure of 14NA(+) assemblies, interaction with CB7 and formation of supramolecular assemblies of CB7(sic)14NA(+) were examined using light scattering, spectroscopic, and microscopic techniques. Entrapment of a luminescent dye, anthracene within the hydrophobic bilayer of the supramolecular assembly CB7(sic)14NA(+) favors a modified luminescent response due to an efficient FRET process. Further, the FRET process could be controlled by thermal and chemical stimuli that induce transformation of unilamellar vesicles.}, doi = {10.1021/acs.langmuir.7b02777}, author = {Kushwaha, Shilpi and Maity, Arunava and Gangopadhyay, Monalisa and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R. and Das, Amitava} } @article {45763, title = {Cyclization mechanism of phomopsene synthase: mass spectrometry based analysis of various site-specifically labeled terpenes}, journal = {Journal of Antibiotics}, volume = {70}, year = {2017}, month = {MAY}, pages = {632-638}, type = {Article}, abstract = {
Elucidation of the cyclization mechanism catalyzed by terpene synthases is important for the rational engineering of terpene cyclases. We developed a chemoenzymatic method for the synthesis of systematically deuterium-labeled geranylgeranyl diphosphate ( GGPP), starting from site-specifically deuterium-labeled isopentenyl diphosphates (IPPs) using IPP isomerase and three prenyltransferases. We examined the cyclization mechanism of tetracyclic diterpene phomopsene with phomopsene synthase. A detailed EI-MS analysis of phomopsene labeled at various positions allowed us to propose the structures corresponding to the most intense peaks, and thus elucidate a cyclization mechanism involving double 1,2-alkyl shifts and a 1,2-hydride shift via a dolabelladien-15-yl cation. Our study demonstrated that this newly developed method is highly sensitive and provides sufficient information for a reliable assignment of the structures of fragmented ions.
}, issn = {0021-8820}, doi = {10.1038/ja.2017.27}, author = {Shinde, Sandip S. and Minami, Atsushi and Chen, Zhi and Tokiwano, Tetsuo and Toyomasu, Tomonobu and Kato, Nobuo and Sassa, Takeshi and Oikawa, Hideaki} } @article {43981, title = {Data on the effect of oral feeding of Arachidonic acid or Docosahexanoic acid on haematopoiesis in mice}, journal = {Data in Brief}, volume = {14}, year = {2017}, month = {OCT}, pages = {551-557}, type = {Journal Article}, abstract = {
Stem cells have peculiar property to self-renew and differentiate. It is important to control their fate in safe and effective ways for their therapeutic use. The mediators of essential polyunsaturated fatty acids (PUFAs) namely Arachidonic acid (AA) and Docosahexanoic acid (DHA) are known to play a role in haematopoiesis via various metabolic pathways [1]. However the direct effect of purified AA or DHA on haematopoiesis has not been well investigated yet. We have reported that oral administration of PUFAs enhanced haematopoiesis in mice [2]. Signaling Leukocyte Antigen Molecule (SLAM) (CD48-CD150+) phenotype consists of pure population of haematopoietic stem cells (HSCs). Herein we observed higher percentage of SLAM (CD48-CD150+) phenotype in the bone marrow (BM) cells of mice fed with AA or DHA compared to PBS fed control mice. Data from engraftment study depicts that BM from AA/DHA-fed mice showed higher absolute number of donor cells in recipient mice compared to control. The enhanced hematopoiesis observed in AA/DHA-fed mice was returned to normal when the mice were kept on normal diet for six weeks (after ten days of oral feeding). We confirmed GCMS (Gas Chromatography-Mass Spectroscopy) retention times of AA and DHA by co-injecting fatty acid extract from AA or DHA fed mice with purified AA or DHA standards respectively. Representative flow cytometry profile of Lin-Sca-1+c-kit+(LSK) cells showed higher expression of CXCR4 protein and ligands of Wnt, Notch1 signaling in BM of AA/DHA-fed mice
}, doi = {10.1016/j.dib.2017.08.009}, author = {Limbkar, K.}, editor = {Dhenge, A.,} } @article {43728, title = {DBU-mediated diastereoselective aldol-type cyanomethylation of isatins}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {APR}, pages = {4489-4496}, type = {Article}, abstract = {An efficient, metal-free approach to 3-substituted 3-hydroxybxindole by DBU-mediated highly diastereoselective addition of aryl acetonitrile to N-protected isatin under mild conditions has been developed. The reaction proceeds smoothly to produce respective cyanomethylated adducts in good yield and excellent diastereoselectivity. Further transformation of the cyanide group allowed the synthesis of an advance intermediate of corresponding (+/-) CPC analogue. The mechanistic insight :toward the aldol-type cyanomethylation, of N-tritylisatin with benzyl cyanide was obtained by DFT calculations.}, doi = {10.1021/acs.joc.7b00512}, author = {Rao, V. U. Bhaskara and Kumar, Krishna and Das, Tamal and Vanka, Kumar} } @article {44002, title = {Deciphering structural stability and binding mechanisms of potential antagonists with smoothened protein}, journal = {Journal of Biomolecular Structure and Dynamics}, year = {2017}, month = {SEP}, pages = {1-21}, type = {Article in Press}, abstract = {Identification of new potential inhibitors against Hedgehog pathway activator protein Smoothened (SMO) is considered to be of higher importance to improvise the future cancer therapeutics. Different SMO inhibitors/drugs (e.g. Cyclopamine, Vismodegib, Taladegib) used till date are found to be associated with several drug-related resistivity and toxicity. To explore the ability of new drug/inhibitor molecules, which can show better/similar binding and dynamic stability as compared to known inhibitors, virtual screening against SMO is performed followed by the comparative docking and molecular dynamic studies. {\textquoteleft}ZINC12368305{\textquoteright} is found to be the best molecule among the entire data-set, as it shows the highest binding affinity and stable conformations. Here, an integrative approach using Dynamic Graph Theory is introduced to gain the molecular insights of the structural integrity of these protein complexes at the residue level by analyzing the corresponding Protein Contact Networks along the Molecular Dynamics trajectories. The study further focuses to understand the detailed binding mechanisms of available inhibitor/drug molecules along with the newly predicted molecule. It is observed that a unique big cluster of low fluctuating residues at the vicinity of the drug binding pocket of the SMO in ZINC12368305-bound complex is present and driving it toward a more stable region. A close inspection on this site reveals the presence of a stable Pi{\textendash}Pi interaction between the pyrazole group-associated phenanthrene ring of ZINC12368305 and aromatic ring of Phe484 of SMO, which could be the potential factor of ZINC12368305 to create a more stable complex with SMO as compared to the other inhibitors.}, keywords = {inhibitors, Pi{\textendash}Pi Interaction, Smoothened Protein, Structural stability}, doi = {10.1080/07391102.2017.1372310}, author = {Sinha, N.}, editor = {Chowdhury, S.} } @article {45716, title = {Defect induced modification of structural, topographical and magnetic properties of zinc ferrite thin films by swift heavy ion irradiation}, journal = {Nuclear Instruments \& Methods In Physics Research Section B-Beam Interactions With Materials And Atoms}, volume = {396}, year = {2017}, month = {APR }, pages = {68-74}, type = {Article}, abstract = {
Swift heavy ion irradiation provides unique ways to modify physical and chemical properties of materials. In ferrites, the magnetic properties can change significantly as a result of swift heavy ion irradiation. Zinc ferrite is an antiferromagnet with a Neel temperature of 10 K and exhibits anomalous magnetic properties in the nano regime. Ion irradiation can cause amorphisation of zinc ferrite thin films; thus the role of crystallinity on magnetic properties can be examined. The influence of surface topography in these thin films can also be studied. Zinc ferrite thin films, of thickness 320 nm, prepared by RF sputtering were irradiated with 100 MeV Ag ions. Structural characterization showed amorphisation and subsequent reduction in particle size. The change in magnetic properties due to irradiation was correlated with structural and topographical effects of ion irradiation. A rough estimation of ion track radius is done from the magnetic studies. (C) 2017 Elsevier B.V. All rights reserved.
}, keywords = {Spin glass, Swift heavy ion, Zinc Ferrite}, issn = {0168-583X}, doi = {10.1016/j.nimb.2017.01.046}, author = {Raghavan, Lisha and Joy, P. A. and Vijaykumar, B. Varma and Ramanujan, R. V. and Anantharaman, M. R.} } @inbook {45805, title = {Defluoridation of drinking water using fe-al mixed metal hydroxides}, booktitle = { Novel Water Treatment and Separation Methods: Simulation of Chemical Processes}, year = {2017}, pages = {77-100}, edition = {1st}, chapter = {Defluoridation of drinking water using fe-al mixed metal hydroxides}, abstract = {In this chapter, we report findings from study carried out on removal of fluoride from drinking or potable water using Fe-Al mixed metal hydroxides. For experimental analysis, the product mixed Fe-Al hydroxides was prepared by applying a co-precipitation method. The resulting metal hydroxide was thoroughly characterized using analytical tests of X-ray diffraction (XRD), scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) surface area analysis. In order to characterize the equilibrium behavior of adsorbent, we study experimentally the effects of different operating parameters. The selected parameters for analysis are adsorbent loading, initial fluoride concentration, pH of the solution, and interfering ions (usually present in groundwater). The equilibrium adsorption data was later fitted for Langmuir adsorption isotherm, and experimental observations show a maximum fluoride adsorption capacity of 2.05 mg.g-1. The experimental results reveal that the adsorption dynamics follows a pseudo-second-order kinetic model.}, isbn = {978-177188578-2}, doi = {10.1201/9781315225395}, author = {Telang, T. and Deosarkar, M.P. and Shetty, R. and Kamble, S.P.} } @article {43856, title = {Degradation of metaldehyde in water by nanoparticle catalysts and powdered activated carbon}, journal = {Environmental Science and Pollution Research}, volume = {24}, year = {2017}, month = {JUL}, pages = {17861-17873}, type = {Article}, abstract = {Metaldehyde, an organic pesticide widely used in the UK, has been detected in drinking water in the UK with a low concentration (< 1 mu g L-1) which is still above the European and UK standard requirements. This paper investigates the efficiency of four materials: powdered activated carbon (PAC) and carbon-doped titanium dioxide nanocatalyst with different concentrations of carbon (C-1.5, C-40, and C-80) for metaldehyde removal from aqueous solutions by adsorption and oxidation via photocatalysis. PAC was found to be the most effective material which showed almost over 90\% removal. Adsorption data were well fitted to the Langmuir isotherm model, giving a q (m) (maximum/saturation adsorption capacity) value of 32.258 mg g(-1) and a K-L (Langmuir constant) value of 2.013 L mg(-1). In terms of kinetic study, adsorption of metaldehyde by PAC fitted well with a pseudo-second-order equation, giving the adsorption rate constant k(2) value of 0.023 g mg(-1) min(-1), implying rapid adsorption. The nanocatalysts were much less effective in oxidising metaldehyde than PAC with the same metaldehyde concentration and 0.2 g L-1 loading concentration of materials under UV light; the maximum removal achieved by carbon-doped titanium dioxide (C-1.5) nanocatalyst was around 15\% for a 7.5 ppm metaldehyde solution.}, doi = {10.1007/s11356-017-9249-1}, author = {Li, Zhuojun and Kim, Jong Kyu and Chaudhari, Vrushali and Mayadevi, Suseeladevi and Campos, Luiza C.} } @article {43791, title = {On demand electrochemical release of drugs from porous reduced graphene oxide modified flexible electrodes}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {AUG}, pages = {6557-6565}, type = {Article}, abstract = {Despite the advantages of an electrochemical control for drug release, only a handful of electrochemical-based release systems have been developed so far. We report herein on the development of an electrochemically activatable platform for on-demand delivery of drugs. It is based on flexible gold thin film electrodes coated with porous reduced graphene oxide (prGO) nanosheets onto which the drug of interest has been integrated beforehand. Two different drugs are investigated here: ondansetron hydrochloride (ODS), a selective 5-HT3 receptor antagonist used for preventing nausea and vomiting caused by chemotherapy and radiotherapy, and ampicillin (AMP), an antibiotic to prevent and treat a number of bacterial infections such as respiratory tract infections, urinary tract infections, and meningitis. In the case of ODS, application of a negative potential bias of -0.8 V results in a sustained slow ODS release with an ODS flux of 47 mu g cm(-2) h(-1). In the case of AMP, we show that polyethyleneimine modified prGO (prGO/PEI) is an extremely efficient matrix. Upon the application of +0.8 V, 24\% of AMP could be released from the electrical interface in a time span of 2 h. The released AMP kept its antibacterial activity as demonstrated by antimicrobial tests. These examples illustrate the major benefits of the developed approach for biomedical applications.}, doi = {10.1039/c7tb00687j}, author = {Boulahneche, Samia and Jijie, Roxana and Barras, Alexandre and Chekin, Fereshteh and Singh, Santosh K. and Bouckaert, Julie and Medjram, Mohamed Salah and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {43955, title = {Demonstrating the role of anchoring functionality in interfacial electron transfer dynamics in newly synthesized BODIPY-TiO2 nanostructure composite}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {MAY}, type = {Article}, abstract = {New Bodipy derivatives (Dye 1 and 2) having catechol or resorcinol functionality for anchoring to the nanostructured (NS) TiO2 surfaces have been synthesized. Extended conjugation at one of the two pyrrole rings at the C3 position has helped us in achieving the desired control in tuning the optical and redox properties of the BODIPY based dye molecules. Relative emission quantum yields (em1 = ~52 {\textpm} 2\% and em2 = 54 {\textpm} 2\%) are found to be much higher in polar aprotic solvent (acetonitrile), while this are found to be substantially lower for dye 1 in polar protic solvent. Steady state optical absorption studies reveal the formation of a strong charge transfer complex between dye 1 and NS-TiO2, while this interaction is much weaker for dye 2. Transient absorption studies have been carried out for 1/NS-TiO2 and 2/NS-TiO2 systems following excitation with a laser source of 400 nm for understanding the charge transfer dynamics. Results of the transient absorption spectral studies helped in elucidating role of anchoring functionality in influencing the dynamics of the interfacial electron transfer and the charge recombination process in ultrafast time scale.}, doi = {10.1039/C7NJ00668C}, author = {Ghosh, Hirendra N. and Das, Amitava and Aute, Sunil and Maity, Partha} } @article {44088, title = {Dendrimeric amide- and carbamate-linked lysine-based efficient molecular transporters}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {DEC}, pages = {9579-9584}, type = {Article}, abstract = {
Amide- and carbamate-linked dendrimeric oligomers are reported as molecular transporters. They effectively complex with pDNA and transport it into cells at an efficiency superior to Lipofectamine, when complexation is carried out by incubation overnight. The carbamate-linked K2C is superior to amide-linked K2A; their pDNA complexes have very low associated cytotoxicity.
}, doi = {10.1039/c7ob02552a}, author = {Yadav, Amit Kumar and Dey, Namit and Chattopadhyay, Sabyasachi and Ganguli, Munia and Fernandes, Moneesha} } @article {43829, title = {Deployment of underground coal gasification in India}, journal = {Current Science}, volume = {113}, year = {2017}, month = {JUL}, pages = {218-227}, type = {Article}, doi = {10.18520/cs/v113/i02/218-227}, author = {Singan, Akshay and Ranade, Vivek V.} } @article {43854, title = {Description of Lysinibacillus telephonicus sp nov., isolated from the screen of a cellular phone}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {67}, year = {2017}, month = {JUL}, pages = {2289-2295}, type = {Article}, abstract = {A novel bacterial strain, designate dS5H2222(T), was isolated form the screen of a cellular phone. The cells were Gram-stainpositive, rod-shaped, aerobic and motile, and endospores are formed. S5H2222(T) grew as pale white colonies on trypticase soy agar and the best growth was observed at 37 degrees C (10- 55 degrees C) and at pH 7.0 (5.0-9.0). S5H2222(T) could tolerate up to 10\% (w/v) NaCl. Phylogenetic analysis based on 16S rRNA gene sequences placed this strain within the genus Lysinibacillus and it exhibited high 16S rRNA gene sequence similarity to Lysinibacillus halotolerans LAM612(T) (97.8 \%), Lysinibacillus chungkukjangi2RL3-2(T) (97.4 \%) and Lysinibacillus sinduriensis BLB-1(T) (97.2 \%). TheDNA- DNA relatedness of the strain with L. halotolerans JCM 19611(T), L. chungkukjangi KACC 16626(T) and L. sinduriensis KACC 16611(T) was 57, 64 and 55\% respectively. The genomic DNA G+C content was 39.8 mol\%. The major fatty acids of S5H2222(T) were iso-C-15:0, anteiso-C-15:0, iso-C-16:0 and anteiso-C-17:0. MK-7 was the only menaquinone and the main polar lipids were diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine, four unidentified polar lipids were also present. The diagnostic amino acids in the cell wall peptidoglycan contained Lys-Asp (type A4 alpha). On the basis of the results of the phenotypic and genotypic characterizations, it was concluded that S5H2222(T) represents a novel species of the genus Lysinibacillus, for which the name Lysinibacillus telephonicus sp. nov. is proposed. The type strain is S5H2222(T) (=MCC 3065 T =KACC 18714(T)=LMG 29294(T)).}, doi = {10.1099/ijsem.0.001943}, author = {Rahi, Praveen and Kurli, Rashmi and Khairnar, Mitesh and Jagtap, Shubhangi and Pansare, Aabeejjeet N. and Dastager, Syed G. and Shouche, Yogesh S.} } @article {43806, title = { Design and development of trivalent aluminum ions induced self healing polyacrylic acid novel hydrogels}, journal = {POLYMER}, volume = {126}, year = {2017}, month = {SEP}, pages = { 196-205}, type = {Journal Article}, chapter = {196-205}, abstract = {
Development of ionically crosslinked superabsorbent polyacrylic acid (PAA) self-healing hydrogels using trivalent aluminum ions was investigated. The PAA hydrogels exhibited excellent self-healing behavior depending on the amount of the aluminum within the matrix. The migration of these ions within the polymer matrix was responsible for the physical crosslinking of the hydrogel and the origin of self healing ability. The PAA-Al hydrogels were insoluble in water and exhibited significantly high degree of swelling (similar to 4000\%). Hydrogel also exhibited good mechanical properties with high level of elongation. Excellent self-healing efficiency was observed under dynamic as well as oscillatory Theological measurements. The presence of Al ions within PAA hydrogel facilitated the self-healing ability because of the ionic interaction in these gels which plays the key role of dynamic reversible sacrificial bonds which reforms upon reversal of the deformative force. (C) 2017 Elsevier Ltd. All rights reserved.
}, keywords = {Aluminum chloride, Behavior, Complex, Composite, crosslinking, Delivery, High-Mechanical Strength, hydrogels, Network, Polyacrylic acid, Polymeric Materials, Self-healing, swelling, Tough; pH}, issn = {0032-3861}, doi = {10.1016/j.polymer.2017.08.045}, author = {Anjum, Sadiya and Gurave, Pramod and Badiger, Manohar V. and Tiwari, Neha and Gupta, Bhuvanesh} } @inbook {43944, title = {Designing multicomponent nanosystems for rapid detection of circulating tumor cells}, booktitle = {Methods in Molecular Biology }, volume = {1530}, year = {2017}, pages = {271-281}, abstract = {
Detection of circulating tumor cells (CTCs) in the blood circulation holds immense promise as it predicts the overall probability of patient survival. Therefore, CTC-based technologies are gaining prominence as a {\textquotedblleft}liquid biopsy{\textquotedblright} for cancer diagnostics and prognostics. Here, we describe the design and synthesis of two distinct multicomponent magnetic nanosystems for rapid capture and detection of CTCs. The multifunctional Magneto-Dendrimeric Nano System (MDNS) composed of an anchoring dendrimer that is conjugated to multiple agents such as near infrared (NIR) fluorescent cyanine 5 NHS (Cy5), glutathione (GSH), transferrin (Tf), and iron oxide (Fe3O4) magnetic nanoparticle (MNP) for simultaneous tumor cell-specific affinity, multimodal high resolution confocal imaging, and cell isolation. The second nanosystem is a self-propelled microrocket that is composed of carbon nanotube (CNT), chemically conjugated with targeting ligand such as transferrin on the outer surface and Fe3O4 nanoparticles in the inner surface. The multicomponent nanosystems described here are highly efficient in targeting and isolating cancer cells thus benefiting early diagnosis and therapy of cancer.
}, doi = {10.1007/978-1-4939-6646-2_16}, author = {Banerjee, Shashwat S. and Khobragade, Vrushali and Khandare, Jayant J.} } @article {43845, title = {Determination of onset temperature from the entropy for fragile to strong liquids}, journal = {Journal of Chemical Physics}, volume = {147}, year = {2017}, month = {JUL}, pages = {Article Number: 024504}, type = {Article}, abstract = {
In this paper, we establish a connection between the onset temperature of glassy dynamics with the change in the entropy for a wide range of model systems. We identify the crossing temperature of pair and excess entropies as the onset temperature. Below the onset temperature, the residual multiparticle entropy, the difference between excess and pair entropies, becomes positive. The positive entropy can be viewed as equivalent to the larger phase space exploration of the system. The new method of onset temperature prediction from entropy is less ambiguous, as it does not depend on any fitting parameter like the existing methods. Published by AIP Publishing.
}, doi = {10.1063/1.4991848}, author = {Banerjee, Atreyee and Nandi, Manoj Kumar and Sastry, Srikanth and Bhattacharyya, Sarika Maitra} } @article {43473, title = {Determination of the absolute configuration of gliomasolide D through total syntheses of the C-17 epimers}, journal = {Journal of Natural Products}, volume = {80}, year = {2017}, month = {FEB}, pages = {560-564}, abstract = {The absolute configuration at C-17, the carbon bearing the distal hydroxy group of the 14-membered natural product gliomasolide D, was assigned as R by comparison of C-13 NMR shifts and specific rotation values of the epimers at C-17. The first total synthesis of gliomasolide D along with its C-17 epimer, regioselective macrocyclization (18 membered vs 14 membered), and regioselective Wacker oxidation are highlights of the present work.}, doi = {10.1021/acs.jnatprod.6b00926}, author = {Seetharamsingh, B. and Ganesh, Routholla and Reddy, D. Srinivasa} } @article {43702, title = {Determination of triazines and triazoles in grapes using atmospheric pressure matrix-assisted laser desorption/ionization high-resolution mass spectrometry}, journal = {Journal of Aoac International}, volume = {100}, year = {2017}, month = {MAY}, pages = {640-646}, type = {Article}, abstract = {A chromatography-free atmospheric pressure matrix-assisted laser desorption/ionization high-resolution mass spectrometry (AP-MALDI HRMS) method is described for the simultaneous and quantitative detection of triazines and triazoles in grapes. The analytes were detected reproducibly with high mass accuracy (mass error within 5 ppm) and further confirmed by collision-induced dissociation fragmentation in tandem MS. The LODs and LOQs for all the analytes were found to be in the nanogram per gram level (15-20 ng/g LOQ). Internal standard normalized high-resolution accurate mass extracted (HR-AM) peak intensities of the detected ions were used to generate the concentration response curves. Linearity (with R-2 values around 0.99) was obtained for these curves within a concentration range of 20-200 ng/g of the individual analytes. The accuracy and precision of the method were further established using QC samples. Validation and performance comparison of the AP-MALDI HRMS method with an existing standard method using LC with :triple quadrupole MS was carried out (evaluating sensitivity, accuracy, precision, and analysis time) using 20 table-grape field samples after QuEChERS extraction.}, doi = {10.5740/jaoacint.17-0047}, author = {Mahale, Vishal and Singh, Ajeet and Phadke, Gayatri S. and Ghanate, Avinash D. and Oulkar, Dasharath P. and Banerjee, Kaushik and Panchagnula, Venkateswarlu} } @article {43945, title = {Developing techno-economically sustainable methodologies for deep desulfurization using hydrodynamic cavitation}, journal = {Fuel}, volume = {210}, year = {2017}, month = {DEC}, pages = {482-490}, type = {Journal Article}, abstract = {The present work, for the first time, describes the efficacy of the cavitation process and compares the cavitation yield for two types of cavitation devices-one employing linear flow for the generation of cavities and other employing vortex flow. The process involves pre-programmed mixing of the organic and aqueous phases, and can be carried out using simple mechanical cavitating devices such as orifice or vortex diode. The process essentially exploits in situ generation of oxidising agents such as hydroxyl radicals for oxidative removal of sulfur. The efficiency of the process is strongly dependent on the nature of device apart from the nature of the organic phase. The effects of process parameters and engineering designs were established for three organic solvents (n-octane, toluene, n-octanol) for model sulfur compound-Thiophene. A very high removal to the extent of 95\% was demonstrated. The results were also verified using commercial diesel. The cavitation yield is significantly higher for vortex diode compared to the orifice. The process has potential to provide a green approach for desulfurization of fuels or organics without the use of catalyst or external chemicals/reagents apart from newer engineering configurations for effective implementation of hydrodynamic cavitation in industrial practice and also appears to be economically sustainable.}, keywords = {Fuel, Oxidation, Petroleum, Pollution Control, Sulphur Removal}, doi = {10.1016/j.fuel.2017.08.106}, author = {Suryawanshi, N.B.}, editor = {Bhandari, V. M.} } @conference {45807, title = {Development of ARM based embedded controller for mass flow controller system}, booktitle = {9th International Conference on Trends in Industrial Measurement and Automation, TIMA 2017.}, year = {2017}, month = {OCT}, publisher = {Institute of Electrical and Electronics Engineers Inc.}, organization = {Institute of Electrical and Electronics Engineers Inc.}, address = {Chennai, India.}, abstract = {The purpose for this paper is to describe the central Embedded Controller development done for Mass Flow Controllers (MFCs) M100B system. Work caters to control M100B MFCs being used for one of the systems at National Chemical Laboratory. M100B MFC accurately measures and controls the mass flow rates of gases. The central controller for this system is non functional and technology is outdated and hence new central embedded controller is developed for the system. Development is done using ARM7 32-bit RISC microcontroller Philips LPC2148, as low power and high frequency design. Serial ADCs are interfaced to ARM microcontroller. LCD display 20{\texttimes}4 is used for display of run status, diagnostic and error messages. Touch keypad is designed and interfaced for setting of mass flow rate for different MFCs against MFC number selected by keypad. The software development is done using Keil micro vision 4. This ARM based controller is a real time system with display of diagnostic and error messages.}, isbn = {978-150903001-9}, doi = {10.1109/TIMA.2017.8064779}, author = {Iyer, N. and Shinde, S. and Dhawale, T. and Shelar, N.} } @article {43853, title = {Development of metarhizium anisopliae as a mycoinsecticide: from isolation to field performance}, journal = {Jove-Journal of Visualized Experiments}, year = {2017}, month = {JUL}, pages = {Article Number: e55272}, type = {Article}, abstract = {A major concern when developing commercial mycoinsecticides is the kill speed compared to that of chemical insecticides. Therefore, isolation and screening for the selection of a fast-acting, highly virulent entomopathogenic fungus are important steps. Entomopathogenic fungi, such as Metarhizium, Beauveria, and Nomurea, which act by contact, are better suited than Bacillus thuringiensis or nucleopolyhedrosis virus (NPV), which must be ingested by the insect pest. In the present work, we isolated 68 Metarhizium strains from infected insects using a soil dilution and bait method. The isolates were identified by the amplification and sequencing of the ITS1-5.8S-ITS2 and 26S rDNA region. The most virulent strain of Metarhizium anisopliae was selected based on the median lethal concentration (LC50) and time (LT50) obtained in insect bioassays against III-instar larvae of Helicoverpa armigera. The mass production of spores by the selected strain was carried out with solid-state fermentation (SSF) using rice as a substrate for 14 days. Spores were extracted from the sporulated biomass using 0.1\% tween-80, and different formulations of the spores were prepared. Field trials of the formulations for the control of an H. armigera infestation in pigeon peas were carried out by randomized block design. The infestation control levels obtained with oil and aqueous formulations (78.0\% and 70.9\%, respectively) were better than the 63.4\% obtained with chemical pesticide.}, doi = {10.3791/55272}, author = {Tupe, Santosh G. and Pathan, Ejaj K. and Deshpande, Mukund V.} } @article {43567, title = {Development of (quinolinyl)amido-based pincer palladium complexes: a robust and phosphine-free catalyst system for C{\textendash}H arylation of benzothiazoles}, journal = {New Journal of Chemistry}, year = {2017}, month = {MAR}, abstract = {(Quinolinyl)amido-ligated palladium(II) complexes have been synthesized and applied in the catalytic C{\textendash}H bond arylation of benzothiazoles. The tridentate ligand precursors R2N-C(O)CH2-(NH)-C9H6N [(R2NNN8-Q){\textendash}H; R2N = morpholinyl, Me-N-piperazinyl] and the pincer palladium complexes [κN,κN,κN-{R2N-C(O)CH2-(μ-N)-C9H6N}]PdX [(R2NNN8-Q)PdX {R2N = Et2N, morpholinyl, Me-N-piperazinyl; X = OAc or Cl}] were efficiently synthesized, and characterized by various analytical techniques. The iodo derivative (Et2NNN8-Q)PdI was obtained in excellent yield by the treatment of the complex (Et2NNN8-Q)PdCl with KI. The molecular structures of complexes (Et2NNN8-Q)Pd(OAc) (2a), (Et2NNN8-Q)PdCl (3a) and (Et2NNN8-Q)PdI (4a) were elucidated by X-ray crystallography. Complex 3a was found to be the most efficient catalyst for direct C{\textendash}H bond arylation of substituted benzothiazoles with diverse aryl iodides using a mild base, K2CO3. The working catalyst system 3a is highly robust and can be recycled and reused several times for the arylation of benzothiazole without loss of catalytic activity. Preliminary mechanistic investigations using controlled studies and kinetic analysis have been performed, which greatly support a molecular mechanism for the arylation.}, doi = {10.1039/C7NJ00452D}, author = {Pandiri, Hanumanprasad and Soni, Vineeta and Gonnade, Rajesh G. and Punji, Benudhar} } @article {43935, title = {DFT study on the effect of relative positions of methyl-, nitro- and N{\textrightarrow}oxide groups on the molecular structure, thermal/kinetic stability, crystal density, heat of decomposition and performance characteristics of triazolones}, journal = {Molecular Physics}, volume = {115}, year = {2017}, month = {APR}, pages = {1-10}, type = {Article}, abstract = {Methyl-, nitro- and N{\textrightarrow}oxide substituted triazolones are of interest in the contest of high-energy density compounds and have been found to have true local energy minima at the B3LYP/aug-cc-pVDZ level. The optimised structures, harmonic frequencies and thermodynamic values for all the model molecules have been obtained in their ground state. The velocity of detonation (D) and detonation pressure (P) have been evaluated by the Kamlet{\textendash}Jacob equations using the crystal density and the heat of explosion. The estimated performance properties are higher (D = 9.92{\textendash}10.27 km/s, P = 48.10{\textendash}52.52 GPa) compared with 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (D = 9.20 km/s, P = 42.0 Gpa). The higher densities are possibly due to the intramolecular hydrogen bonds and the layered structures in the crystal lattice. We speculate that the calculated heat of explosion and the density are for the gas phase compounds and in the reality they should be for the solid phase which would diminish the magnitude of the calculated values. The {\textendash}N{\textrightarrow}O and {\textendash}NO2 group leads to the desirable consequences of higher heat of explosion and diminished sensitivities. The substituting of N{\textendash}H hydrogen atom(s) of triazolones for a {\textendash}CH3 group decreases melting point, heat of formation and density; however, the methyl group increases the thermal stability.}, doi = {10.1080/00268976.2017.1314032}, author = {Ravi, P.} } @article {43504, title = {Diastase induced green synthesis of bilayered reduced graphene oxide and its decoration with gold nanoparticles}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {166}, year = {2017}, month = {JAN}, pages = {252-258}, abstract = {In this paper, we report an enzyme dependent, green one-pot deoxygenation cum decoration method to synthesize diastase-conjugated reduced graphene oxide (DRG) nanosheets, DRG/gold nanoparticles (DRG/Au) composite. The DRG synthesis was completed in 7 h under heating at 90 degrees C on water bath. Selected area electron diffraction (SAED) and Atomic force microscopy (AFM) study has revealed the formation of bilayered reduced graphene oxide sheets. Transmission electron microscopy (TEM) images of DRG/Au composite have shown the uniform decoration of gold nanoparticles (AuNPs) onto the DRG nanosheet surface. Fourier transform infrared spectroscopy (FTIR) and Raman results additionally have shown the functionalization of enzyme molecules onto the DRG nanosheet surface after reduction making it as an effective platform towards the efficient binding of gold nanoparticles. In vitro cytotoxicity studies by MIT assay on A549 and HCT116 cell lines exhibited that the cytotoxicity of the prepared graphene oxide (GO), DRG and DRG/Au is dose dependant. These results have shown that this synthetic method is effective for the production of large scale graphene in a low cost, simple and green method. Since this process avoids the use of hazardous and toxic substances, the produced DRG/Au composites are likely to offer various potential applications in biology and medicine. (C) 2016 Published by Elsevier B.V}, doi = {10.1016/j.jphotobiol.2016.12.008}, author = {Maddinedi, Sireesh Babu and Mandal, Badal Kumar and Patil, Sagar Hindurao and Andhalkar, Vaibhav Vilas and Ranjan, Shivendu and Dasgupta, Nandita} } @article {43656, title = {Diastereoselective synthesis of chiral 2,3-disubstituted lndolines via formal [3+2]-cycloaddition of arynes with gamma-amino-alpha,beta-unsaturated esters}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUN}, pages = {5940-5946}, chapter = {5940-5946}, abstract = {A one step formal [3+2]-annulation protocol for the synthesis of 2,3-disubstituted indolines is described. The in situ generated aryne acts as a two-atom component, and gamma-amino-alpha,beta-unsaturated esters acting as a three-atom component to construct indoline units in a highly regio- and diastereoselective manner with yields ranging from 63 to 80\%.}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b00439}, author = {Aher, Ravindra D. and Suryavanshi, Gurunath M. and Sudalai, Arumugam} } @article {43930, title = {Diethylamine Dess-Martin periodinane: an efficient catalyst-oxidant combination in a sequential, one-pot synthesis of difficult to access 2-amino-3,5-dicarbonitrile-6-sulfanylpyridines at ambient temperature}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {AUG}, pages = {38877-38883}, type = {Article}, abstract = {Herein, diethylamine Dess{\textendash}Martin periodinane has been demonstrated for the first time as an efficient catalyst{\textendash}oxidant combination in a sequential, one-pot synthesis of medicinally privileged but difficult to access 2-amino-3,5-dicarbonitrile-6-sulfanylpyridines via a pseudo-four component reaction between 2,6-disubstituted benzaldehydes, malononitrile, and thiols. Ambient reaction conditions, excellent yields, and total avoidance of conventional isolation as well as purification are the noteworthy merits of this developed protocol.}, doi = {10.1039/C7RA07738F}, author = {Kupwade, Ravindra V. and Khot, Supriya and Kulkarni, M. A. and Desai, Uday V. and Wadgaonkar, Prakash P.} } @article {44134, title = { Differential accumulation of vimentin fragments in preeclamptic placenta}, journal = {Cytoskeleton}, volume = {74}, year = {2017}, month = {NOV}, pages = {420-425}, type = {Article}, abstract = {Preeclampsia is a pregnancy complication that is the result of abnormal placentation because of inadequate trophoblast invasion into spiral arteries that prevent normal blood flow to the placenta. We report the alteration in vimentin protein proteolysis in placenta of normotensive and preeclamptic women, which is known to have a role in many physiological functions other than its major function in the structural integrity of the cell. Placental proteome from normotensive (n=25) and preeclamptic pregnancies (n=25) showed eight differentially accumulated protein spots of vimentin (proteolytic fragments) by two-dimensional electrophoresis. Immunoblots of normotensive and preeclamptic placenta revealed a difference in proteolytic processing of vimentin. In particular, lower molecular weight vimentin fragments of 32 and 20 kDa were 3.3 and 2.6-fold (p<0.0001) higher, respectively, in preeclampsia compared with normotensive placenta.}, doi = {10.1002/cm.21390}, author = {Mary, Sheon and Kulkarni, Mahesh J. and Mehendale, Savita S. and Joshi, Sadhana R. and Giri, Ashok P.} } @article {44089, title = {Differential rubisco content and photosynthetic efficiency of rol gene integrated Vinca minor transgenic plant: correlating factors associated with morpho-anatomical changes, gene expression and alkaloid productivity}, journal = {Journal of Plant Physiology}, volume = {219}, year = {2017}, month = {DEC}, pages = {12-21}, type = {Article}, abstract = {Transgenic plants obtained from a hairy root line (PVG) of Vinca minor were characterized in relation to terpenoid indole alkaloids (TIAs) pathway gene expression and vincamine production. The hairy roots formed callus with green nodular protuberances when transferred onto agar-gelled MS medium containing 3.0 mg/l zeatin. These meristematic zones developed into shoot buds on medium with 1.0 mg/l 2, 4-dichlorophenoxyacetic acid and 40 mg/l ascorbic acid. These shoot buds subsequently formed rooted plants when shifted onto a hormone-free MS medium with 6\% sucrose. Transgenic nature of the plants was confirmed by the presence of rol genes of the Ri plasmid in them. The transgenic plants (TP) had elongated internodes and a highly proliferating root system. During glass house cultivation TP consistently exhibited slower growth rate, low chlorophyll content (1.02 +/- 0.08 mg/gm fr. wt.), reduced carbon exchange rate (2.67 +/- 0.16 mu mol m(-2) s(-1)), less transpiration rate (2.30 +/- 0.20 mmol m(-2) s(-1)) and poor stomatal conductance (2.21 +/- 0.04 mmol m-2 s(-1)) when compared with non-transgenic population. The activity of rubisco enzyme in the leaves of TP was nearly two folds less in comparison to non-transgenic controls (1.80 milliunits ml(-1) mg protein-1 against 3.61 milliunits ml(-1) mg protein-1, respectively). Anatomically, the TP had a distinct tetarch arrangement of vascular bundles in their stem and roots against a typical ployarched pattern in the non-transgenic plants. Significantly, the transgenic plants accumulated 35\% higher amount of total TIAs (3.10 +/- 0.21\% dry wt.) along with a 0.03\% dry wt. content of its vasodilatory and nootropic alkaloid vincamine in their leaves. Higher productivity of alkaloids in TP was corroborated with more than four (RQ = 4.60 +/- 0.30) and five (RQ = 5.20 +/- 0.70) times over-expression of TIAs pathway genes tryptophan decarboxylase (TDC) and strictosidine synthase (STR) that are responsible for pushing the metabolic flux towards TIAs synthesis in this medicinal herb.}, doi = {10.1016/j.jplph.2017.09.004}, author = {Verma, Priyanka and Khan, Shamshad Ahmad and Masood, Nusrat and Manika, N. and Sharma, Abhishek and Verma, Neha and Luqman, Suaib and Mathur, Ajay K.} } @article {43914, title = {Digestive ripening: a fine chemical machining process on the nanoscale}, journal = {Langmuir }, volume = {33}, year = {2017}, month = {MAY}, type = {Article}, abstract = {A comprehensive over view of the process named as {\textquoteright}digestive ripening{\textquoteright} that is known to convert polydisperse nanocrystals to monodisperse ones is presented. Apart from highlighting the role of organic molecules (ligands) in achieving size control the role of other parameters like the nanocrystal-ligand binding strength and the temperature at which the reaction is carried out in accomplishing size control is also delineated. The generality of the procedure is illustrated by providing examples of how it is used to prepare monodispersed nanocrystals of different metals, alloy systems, ultra small nanocrystals and also to narrow the size distribution in complex binary and ternary nanocrystal systems. Finally, the current status as far as the theoretical understanding of how the size control is being achieved by digestive ripening is laid out, emphasizing at the same time the necessity to undertake more systematic studies to completely realize the full potential of this practically very useful procedure.}, doi = {10.1021/acs.langmuir.7b00193}, author = {Shimpi, Jayesh Ramesh and Sidhaye, Deepti S. and Prasad, Bhagavatula L V} } @article {43355, title = {Digestive ripening of Au nanoparticles by multidentate ligands}, journal = {Langmuir}, volume = {33}, year = {2017}, month = {JAN}, pages = {1943-1950}, type = {Article}, abstract = {
The efficiency of multidentate ligands as digestive ripening agents for the preparation of monodisperse Au nanoparticles was investigated. This systematic investigation was performed using ligands possessing one, two, or three thiol moieties as ligands/digestive ripening agents. Our results clearly establish that among the different ligands, those that are monodentate and the use of temperatures in the range of 60 {\textdegree}C and 120 {\textdegree}C offer the best conditions for digestive ripening. In addition, when digestive ripening was carried out at lower temperatures (e.g., 60 {\textdegree}C), the nanoparticle size increased as the number of thiol groups per ligand increased. However, in the case of ligands possessing two and three thiol moieties when they are heated with polydispersed particles at higher temperatures (120 {\textdegree}C or 180 {\textdegree}C), the etching process dominates, which affects the quality of the nanoparticles in terms of their monodispersity. We conclude that the temperature-dependent strength of the interaction between the ligand headgroup and the nanoparticle surface plays a vital role in controlling the final particle sizes.
}, doi = {10.1021/acs.langmuir.6b03998}, author = {Sahu, Puspanjali and Shimpi, Jayesh and Lee, Han Ju and Lee, T. Randall and Prasad, Bhagavatula L. V} } @article {45745, title = {Dihydropyrimidinone-isatin hybrids as novel non-nucleoside HIV-1 reverse transcriptase inhibitors}, journal = {Bioorganic Chemistry}, volume = {70}, year = {2017}, month = {FEB}, pages = {256-266}, type = {Article}, abstract = {A novel series of substituted N-(2-( 2,3-dioxoindolin-1-yl) acetyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5carboxamide was designed, synthesized and evaluated for in vitro Reverse Transcriptase (RT) inhibitory activity. This series is a combination of peculiar structural features from leading scaffolds of [(2-hydroxye thoxy) methyl]-6-(phenylthio) thymine (HEPT) and oxyindole. In vitro screening led to identification of two hybrids (9c and 9d) possessing higher RT inhibitory activity than the standard rilpivirine. Docking study was performed to study the binding orientations of synthesized hybrids towards RT enzyme. }, doi = {10.1016/j.bioorg.2017.01.006}, author = {Devale, T. L. and Parikh, J. and Miniyar, P. and Sharma, P. and Shrivastava, B. and Murumkar, P.} } @article {43906, title = {Direct C-N bond formation in an in situ ligand transformation reaction and formation of polymeric 1D cadmium(II) complexes with end-to-end bridging thiocyanate or selenocyanate ions: Synthesis, structures and theoretical studies}, journal = {Polyhedron}, volume = {133}, year = {2017}, month = {SEP}, pages = {8-15}, type = {Article}, abstract = {
Two new one-dimensional polymeric thiocyanato and selenocyanato bridged cadmium(II) complexes [Cd(dpip)(mu(1,3)-SCN)(2)](n) and [Cd(dpip)(mu(1,3)-SeCN)(2)](n), where dpip = 3,5-dimethy1-14(3-phenylimidazolidin-ly1)-methyl)-1H-pyrazole have been synthesized and characterized by elemental analysis, IR, 1H NMR and single crystal X-ray diffraction studies. The bidentate N-2-coordinated ligand dpip is formed from N-4-coor-dinated tetradentate ligand N,N-bis(3,5-dimethy1-1H-pyrazol-1-yOmethyl-N-2-phenylethane-1,2-diamine (bdpab) due to unusual transformation, removing one pyrazole group and formation of saturated imidazole ring during in situ complexation reaction. The 1D structures of the two complexes have been confirmed by single crystal X-ray diffraction studies and both NCS- and NCSe- act as end -to -end (-1,3) bridging ligands. The coordination environment around the cadmium center in the complexes are CdN4S2 and CdN4Se2, respectively and each cadmium(II) center has distorted octahedral geometry. The distortion in the molecules are due to two unequal Cd-N (organic ligand dpip) bond lengths and small bite angel of the unsymmetrical organic ligand. The DFT calculations performed with cadmium(II) complexes [Cd (dpip)(mu(1,3)-SCN)(2)](n) and [Cd(dpip)(mu(1,3)-SeCN)(2)](n) corroborated the observed crystal structures and the structural parameter were found to be in good agreement in both calculated and X-ray geometries. (C) 2017 Elsevier Ltd. All rights reserved.
}, keywords = {1d Chain, Cd(Ii) Complexes, Cobalt(Ii), coordination polymers, Crystal-structure, Dft Pyrazole Based Ligand, Dinuclear, End-to-end Bridge, Infrared-spectra, Magnetic-properties, Metal, Ncs/Secn Ion, Nickel(Ii), Nitrogen Single Bond}, issn = {0277-5387}, doi = {10.1016/j.poly.2017.05.007}, author = {Sadhu, Mehul H. and Solanki, Ankita and Kundu, T. and Hingu, Vinayak and Ganguly, B. and Kumar, Sujit B.} } @article {44152, title = {Direct production of furfural in one-pot fashion from raw biomass using bronsted acidic ionic liquids}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {OCT}, pages = {Article Number: 13508}, type = {Article}, abstract = {The conversion of raw biomass into C5-sugars and furfural was demonstrated with the one-pot method using Bronsted acidic ionic liquids (BAILs) without any mineral acids or metal halides. Various BAILs were synthesized and characterized using NMR, FT-IR, TGA, and CHNS microanalysis and were used as the catalyst for raw biomass conversion. The remarkably high yield (i.e. 88\%) of C5 sugars from bagasse can be obtained using 1-methyl-3(3-sulfopropyl)-imidazolium hydrogen sulfate ([C3SO3HMIM][HSO4]) BAIL catalyst in a water medium. Similarly, the [C3SO3HMIM][HSO4] BAIL also converts the bagasse into furfural with very high yield (73\%) in one-pot method using a water/toluene biphasic solvent system.}, doi = {10.1038/s41598-017-13946-4}, author = {Matsagar, Babasaheb M. and Hossain, Shahriar A. and Islam, Tofazzal and Alamri, Hatem R. and Alothman, Zeid A. and Yamauchi, Yusuke and Dhepe, Paresh L. and Wu, Kevin C. W.} } @conference {45659, title = {Direct steam generation for process heat applications in compound parabolic collector (CPC)}, booktitle = {11th ISES EuroSun Conference}, year = {2017}, month = {JUL}, publisher = {INTL Solar Energy Soc, Wiesentalstr 50, Freiburg, 79115, Germany}, organization = {INTL Solar Energy Soc, Wiesentalstr 50, Freiburg, 79115, Germany}, address = {Palma, Spain}, abstract = {In recent years, CPC (Compound Parabolic Collector) is gaining its acceptance for temperature range higher than non-concentrating stationery solar collectors like flat plate collectors but lower end of temperature range of concentrating solar collectors like PTC (parabolic trough concentrators). Generally, pressurized hot water or thermal oil is used as a working fluid in the CPC. The elimination of solar tracking in CPC provides flexibility for installation and lower price point compared to other concentrating technologies with tracking. Steam is one of the universally accepted working fluid for process heat applications due to availability, nontoxic and high heat carrying capacity. Many industrial sectors such as food and beverages, textile, chemical processes etc utilize steam as a working fluid for process heat applications. Direct steam generation as a working fluid through a CPC has various operational, integration and cost advantages. The use of CPC for direct steam generation at saturation steam temperature range 105-145 degrees C (equivalent saturation pressure 0.5-3 bar (g)) can cater for low temperature process heat demand. Solar radiation intensity changes with the time of the day leading to change in heat flux for steam generation. There arc challenges for handling two phase flow (steam generation) in {\textquoteright}U{\textquoteright} shaped metal tubes due to pressure drop, flow instabilities and control of steam dryness fraction under vatying solar heat flux. The focus of the present research work is to analyze a CPC system for direct steam generation. This paper discusses an experimental setup and challenges for direct steam generation. The experimental measurements will he focused on behavior of the thermal flow pattern inside the inclined metal tube at various heat flux conditions throughout the day, measurement of local heat transfer coefficients and corresponding vapor quality. Experimental data analysis and understanding will be useful to develop direct steam generation engineering schemes and its integration approach with various end-use applications.}, doi = {10.18086/eurosun.2016.02.09}, author = {Sardeshpande, Madhavi V. and Sardeshpande, Vishal R.} } @article {44123, title = {Dissociative adsorption of molecular hydrogen on BN-doped graphene-supported aluminum clusters}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {NOV}, pages = {26493-26498}, type = {Article}, abstract = {The present work demonstrates dissociative adsorption of molecular hydrogen on supported and unsupported aluminum Wclusters (Al-n, n = 4-8, 13) using density functional theory based calculations. The studies reveal that the presence of a BN-doped graphene surface support reduces the dissociative adsorption barrier of the bond in molecular hydrogen on even atom clusters. In particular, supported Al-6 demonstrates a barrier-less dissociative adsorption toward the H-2 molecule. These results demonstrate the excellent potential of supported Al nanoparticles for hydrogen storage and also the potential of doped graphene systems are catalyzing supports.}, doi = {10.1021/acs.jpcc.7b07789}, author = {Kumar, Deepak and Krishnamurty, Sailaja and Pal, Sourav} } @article {43926, title = {Diverse profiles of N-acyl-homoserine lactones in biofilm forming isolates of Cronobacter sakazakii}, journal = {Virulence}, volume = {8}, year = {2017}, month = {OCT}, pages = {275-281}, type = {Article}, abstract = {
The present study investigates the role of quorum sensing (QS) molecules expressed by C. sakazakii in biofilm formation and extracellular polysaccharide expression. The QS signaling was detected using Chromobacterium violaceum 026 and Agrobacterium tumefaciens NTL4(pZLR4) based bioassay. Long chain N-acyl-homoserine lactones (AHLs) with C6- C18 chain length were identified using High Performance Liquid Chromatography and Liquid Chromatography-High Resolution Mass Spectrometry. A higher Specific Biofilm Formation (SBF) index (p \< 0.05) with the presence of genes associated with cellulose biosynthesis (bcsA, bcsC and bcsG) was observed in the strains. AHLs and their mechanisms can serve as novel targets for developing technologies to eradicate and prevent biofilm formation by C. sakazakii.
}, doi = {10.1080/21505594.2016.1226713}, author = {Singh, Niharika and Patil, Amrita and Prabhune, Asmita Ashutosh and Raghav, Mamta and Goel, Gunjan} } @article {44167, title = {Diverse reactivity trends of Ni surfaces in Au@Ni core-shell nanoparticles probed by near ambient pressure (NAP) XPS}, journal = {Catalysis Science \& Technology}, volume = {7}, year = {2017}, month = {OCT }, pages = {4489-4498}, type = {Article}, abstract = {A mild temperature sequential reduction method in aqueous medium is reported for the synthesis of Au@Ni nanoparticles with a core-shell morphology. The nickel shell thickness with a gold core in the nanostructure can be tuned from 2 nm up to about 10 nm. Near ambient pressure XPS (NAPXPS) studies under oxygen atmosphere show that Au-80@Ni-20 with an extremely thin nickel shell (similar to 2 nm) follows a distinctly different decomposition pathway of metastable Ni(OOH) species compared to those with larger shell thickness which behave more like individual nickel surfaces. Thus, Ni(OOH) on Au-80@Ni-20 decomposes to metallic Ni at 100 degrees C and is found to resist oxidation at 0.1 mbar oxygen at this temperature. Those with a larger nickel shell thickness behave more like monometallic Ni in terms of their decomposition and oxidation properties. The Au@Ni system with an ultra thin metallic nickel overlayer (2 nm) shows high catalytic activity and selectivity for phenylacetylene hydrogenation under mild conditions which outweighs their monometallic counterparts and those with higher nickel shell thickness.}, issn = {2044-4753}, doi = {10.1039/c7cy01070b}, author = {Bharathan, Vysakh A. and Jain, Ruchi and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article {44168, title = {Diversification of quinazolinones by Pd-catalyzed C(sp(3))-acetoxylation}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {OCT}, pages = {10470-10478}, type = {Article}, abstract = {The quinazolinone ring has been exploited as a directing group for C(sp(3))-H functionalization for the first time. The proximal C-gamma(sp3)-H bonds have been oxidized by palladium-catalyzed acetoxylation reaction. Various functional groups on the quinazolinone scaffold were tolerated to provide novel quinazolinone derivatives. The use of base was found to be crucial for the mono selective acetoxylations.}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b01934}, author = {Garad, Dnyaneshwar N. and Mhaske, Santosh B.} } @inbook {45808, title = {Diversity of natural yeast flora of grapes and its significance in wine making}, booktitle = {Yeast Diversity in Human Welfare}, year = {2017}, pages = {1-27}, publisher = {Springer}, organization = {Springer}, address = {New York}, abstract = {The biodiversity of yeasts associated with grapes has been studied in different regions of wine producing countries throughout the world. Most of the species associated with the wine environment are similar, while some species are specifically associated with specific regions. Though Saccharomyces cerevisiae is primarily used for fermentation of grape juice, its occurrence is low on grape berries. Non-Saccharomyces yeasts belonging to the genera Torulaspora, Hanseniaspora, Pichia, Candida, Issatchenkia, Metschnikowia etc. are in abundance in grape musts and may dominate the early stages of fermentation. Subsequently, S. cerevisiae proliferates, becomes dominant and completes the wine fermentation. Therefore, yeasts diversity associated with the grapes and must significantly contribute to the quality and varietal character of wine. In present review, the diversity of yeasts associated with vineyard, winery, succession of yeasts during fermentation and their role in wine quality is discussed. The knowledge will be useful to monitor and control the fermentation with respect to quality and spoilage. }, isbn = {978-9811026201}, doi = {10.1007/978-981-10-2621-8_1}, author = {Deshpande, M.V. and Mane, S.S. and Ghormade, V. and Tupe, S.G.} } @article {43683, title = {Diversity-oriented synthesis of spiroannulated benzofuran-3-one scaffold of leptosphaerin C and congeners via aryne insertion}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {MAY}, pages = {4875-4882}, type = {Article}, abstract = {A concise synthesis of functionalized cyclohexenone-fused spirobenzofuran-3-ones under mild reaction conditions was developed. The reaction proceeds via insertion of aryne into the C-O bond followed by a regioselective intramolecular conjugate addition. The use of silyl-protected acid was crucial for the transformation. This protocol was successfully applied for the synthesis of leptosphaerin C core and its novel analogues.}, doi = {10.1021/acs.joc.7b00606}, author = {Dhokale, Ranjeet A. and Mhaske, Santosh B.} } @article {44024, title = {Docetaxel-titanate nanotubes enhance radiosensitivity in an androgen-independent prostate cancer model}, journal = {International Journal of Nanomedicine}, volume = {12}, year = {2017}, month = {AUG}, pages = { 6357-6364}, type = {Journal Article}, abstract = {Around 40\% of high-risk prostate cancer patients who undergo radiotherapy (RT) will experience biochemical failure. Chemotherapy, such as docetaxel (DTX), can enhance the efficacy of RT. Multidrug resistance mechanisms often limit drug efficacy by decreasing intracellular concentrations of drugs in tumor cells. It is, therefore, of interest to develop nanocarriers of DTX to maintain the drug inside cancer cells and thus improve treatment efficacy. The purpose of this study was to investigate the use of titanate nanotubes (TiONts) to develop a TiONts-DTX nanocarrier and to evaluate its radiosensitizing in vivo efficacy in a prostate cancer model. In vitro cytotoxic activity of TiONts-DTX was evaluated using an MTS assay. The biodistribution of TiONts-DTX was analyzed in vivo by single-photon emission computed tomography. The benefit of TiONts-DTX associated with RT was evaluated in vivo. Eight groups with seven mice in each were used to evaluate the efficacy of the nanohybrid combined with RT: control with buffer IT injection {\textpm} RT, free DXL {\textpm} RT, TiONts {\textpm} RT and TiONts-DXL {\textpm} RT. Mouse behavior, health status and tumor volume were monitored twice a week until the tumor volume reached a maximum of 2,000 mm3. More than 70\% of nanohybrids were localized inside the tumor 96 h after administration. Tumor growth was significantly slowed by TiONts-DTX associated with RT, compared with free DTX in the same conditions (P=0.013). These results suggest that TiONts-DTX improved RT efficacy and might enhance local control in high-risk localized prostate cancer.}, keywords = {Docetaxel Nanocarrier, nanoparticle, Prostate Cancer, Radiosensitivity, Titanate nanotubes}, doi = {10.2147/IJN.S139167}, author = {Mirjolet, C. and Martin, E. and Boudon, J. and Loiseau, A. and Chevrier, S. and Boidot, R. and Oudot, A. and Collin, B. and Joy, P. A. and Millot, N. and Cr{\'e}hange, G.} } @article {43816, title = {Domibacillus mangrovi sp nov and domibacillus epiphyticus sp nov., isolated from marine habitats of the central west coast of India}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {67}, year = {2017}, month = {AUG}, pages = {3063-3070}, type = {Article}, abstract = {While studying culturable bacterial diversity in different marine habitats of the central west coast of India, two novel Gramstain-positive, strictly aerobic, motile, endospore-forming and rod-shaped bacterial strains designated as SAOS 44(T) and SAB 38(T) were isolated from mangrove sediment soil and the surface of a macroalga, respectively. The strains were taxonomically characterized by using a polyphasic approach and genomic methods. The phylogenetic analysis based on 16S rRNA gene sequencing placed the strains firmly in the genus Domibacillus and were most closely related to Domibacillus antri KCTC 33636(T). The predominant fatty acids were iso-C-15 : 0 and anteiso-C-15 : 0. The major polar lipids were diphosphatidylglycerol and phosphatidylglycerol in addition to an aminophosphoglycolipid. MK-6 was the only respiratory quinone. The range of values of digital DNA-DNA hybridization (19.2-24.9 \%) and the ortho-average nucleotide identity (74.1-81.4 \%) among strains SAOS 44(T), SAB 38(T) and other Domibacillus species clearly supports their status as a distinct and novel species for which the names Domibacillus mangrovi sp. nov. SAOS 44(T) (=DSM 100930(T)=KCTC 33820(T)=MTCC 12571(T)) and Domibacillus epiphyticus sp. nov. SAB 38(T) (=DSM 100929(T)= KCTC 33830(T)=MTCC 12575(T)) are proposed, respectively.}, doi = {10.1099/ijsem.0.002085}, author = {Verma, Ashish and Ojha, Anup Kumar and Dastager, Syed G. and Natarajan, Rameshkumar and Mayilraj, Shanmugam and Krishnamurthi, Srinivasan} } @article {43478, title = {Draft genome sequence of lactobacillus plantarum strains E2C2 and E2C5 isolated from human stool culture}, journal = {Standards in Genomic Sciences}, volume = {12}, year = {2017}, month = {JAN}, pages = {Article Number: 15}, abstract = {Probiotic Lactobacillus species offer various health benefits, thus have been employed in treatment and prevention of various diseases. Due to the differences in the isolation source and the site of action, most of the lactobacilli tested in-vitro for probiotics properties fail to extend similar effects in-vivo. Consequently, the search of autochthonous, efficacious and probably population specific probiotics is a high priority in the probiotics research. In this regards, whole genome sequencing of as many Lactobacillus as possible will help to deepen our understanding of biology and their health effects. Here, we provide the genomic insights of two coherent oxalic acid tolerant Lactobacillus species (E2C2 and E2C5) isolated from two different healthy human gut flora. These two isolates were found to have higher tolerance towards oxalic acid (300 mM sodium oxalate). The draft genome of strain E2C2 consists of 3,603,563 bp with 3289 protein-coding genes, 94 RNA genes, and 43.99\% GC content, while E2C5 contained 3,615,168 bp, 3293 coding genes (93.4\% of the total genes), 95 RNA genes and 43.97\% GC content. Based on 16S rRNA gene sequence analysis followed by in silico DNA-DNA hybridization studies, both the strains were identified as Lactobacillus plantarum belonging to family Lactobacillaceae within the phylum Firmicutes. Both the strains were genomically identical, sharing 99.99\% CDS that showed 112 SNPs. Both the strains also exhibited deconjugation activity for the bile salts while genome analysis revealed that the L. plantarum strains E2C2 and E2C5 also have the ability to produce vitamins, biotin, alpha-and beta-glucosidase suggesting potential probiotic activities of the isolates. The description presented here is based on the draft genomes of strains E2C2 and E2C5 which are submitted to GenBank under the accession numbers LSST00000000.1 and LTCD00000000.1, respectively.}, doi = {10.1186/s40793-017-0222-x}, author = {Suryavanshi, Mangesh V. and Paul, Dhiraj and Doijad, Swapnil P. and Bhute, Shrikant S. and Hingamire, Tejashri B. and Gune, Rahul P. and Shouche, Yogesh S.} } @article {45759, title = {Drug-triggered self-assembly of linear polymer into nanoparticles for simultaneous delivery of hydrophobic and hydrophilic drugs in breast cancer cells}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {DEC}, pages = {8730-8740}, type = {Article}, abstract = {
Breast cancer is the most devastating disease among females globally. Conventional chemotherapeutic regimen relies on the use of highly cytotoxic drugs as monotherapy and combination therapy leading to severe side effects to the patients as collateral damage. Moreover, combining hydrophobic and hydrophilic drugs create erratic biodistribution and suboptimal medicinal outcome. Hence, packaging multiple drugs of diverse mechanisms of action and biodistribution for safe delivery into tumor tissues with optimal dosages is indispensable for next-generation breast cancer therapy. To address these, in this report, we describe a unique cisplatin-triggered self-assembly of linear polymer into 3D-spherical sub 200 nm particles. These nano-particles comprise a hydrophobic (paclitaxel) and hydrophilic drug (cisplatin) simultaneously in a single particle. Molecular dynamics simulation revealed hydrophilic-hydrophilic interaction and interchain H-bonding as underlying mechanisms of self-assembly. Confocal microscopy studies evidently demonstrated that these novel nanoparticles can home into lysosomes in breast cancer cells, fragment subcellular nuclei, and prevent cell division, leading to improved breast cancer cell death compared to free drug combination. Moreover, 3D-breast tumor spheroids were reduced remarkably by the treatment of these nanoparticles within 24 h. These dual-drug-loaded self-assembled polymeric nanoparticles have prospective to be translated into a clinical strategy for breast cancer patients.
}, issn = {2470-1343}, doi = {10.1021/acsomega.7b01400}, author = {Palvai, Sandeep and Anandi, Libi and Sarkar, Sujit and Augustus, Meera and Roy, Sudip and Lahiri, Mayurika and Basu, Sudipta} } @article {44095, title = {Dry molten globule-like intermediate during the base-induced unfolding of a multidomain protein}, journal = {Physical Chemistry Chemical Physics}, volume = {19}, year = {2017}, month = {NOV}, pages = {30207-30216}, type = {Article}, abstract = {The nature of the initial structural events during the base-induced unfolding of the native (N) state of proteins is poorly understood. Combining site-specific fluorescence resonance energy transfer, size exclusion chromatography, dynamic fluorescence quenching, red-edge excitation shift and circular dichroism spectroscopy, we show here that an early intermediate during the base-induced unfolding of a multidomain protein, i.e., the B form, has features of a dry molten globule. We show that the N (sic) B transition involves protein expansion and loosening of packing of inter-domain helices near domains I and II without the disruption of intra-domain packing or any change in hydration of the inter-domain region which resembles a molten hydrocarbon. Surprisingly, the disruption of inter-domain packing accounts for 40-45\% of the total change in free energy of complete unfolding. Our results show that the disruption of van der Waals packing can be decoupled in different regions of a protein and could occur prior to hydrophobic solvation during base-induced unfolding, challenging the existing notion.}, doi = {10.1039/c7cp06614g}, author = {Acharya, Nirbhik and Mishra, Prajna and Jha, Santosh Kumar} } @article {43994, title = {Drying of almonds I: single particle}, journal = {Indian Chemical Engineer}, year = {2017}, month = {JUN}, chapter = {1-23}, abstract = {
Drying is an essential unit operation required in food processing industries, particularly in the dry fruits industry. Drying of almonds exhibit many characteristic features such as non-spherical shape, swelling/ shrinkage as a function of moisture content, uneven drying because of their peculiar shape and proximity to other almond kernels and so on. In this study, we have investigated the drying of almonds through experiments and computational modelling. In this regard, Mettler Toledo Halogen moisture analyzer unit was used to conduct experiments for a single almond kernel. In this widely used equipment, internal air flow patterns and therefore heat and mass transfer depend on natural circulation of air. A detailed three-dimensional computational fluid dynamics (CFD) model was used to simulate the air flow pattern, heat and mass transfer in the drying unit. Carefully designed experiments with a single almond kernel were carried out at different temperatures to estimate key parameters of interest (drying kinetics and effective diffusivity). The CFD model was also used to quantify non-uniform heat and mass transfer and therefore non-uniform drying of a single almond kernel. The presented approach, models and results might be useful to improve the performance of drying units in industrial systems. The results and models presented here will also provide a basis for further work on multiple almond kernels and on tray dryer unit. {\textcopyright} 2017 Indian Institute of Chemical Engineers
}, issn = {0019-4506}, doi = {10.1080/00194506.2017.1333464}, author = {Chilka, A. G. and Ranade, V. V.} } @article {44026, title = {Drying of almonds II: multiple particles}, journal = {Indian Chemical Engineer}, year = {2017}, month = {AUG}, pages = {1-18}, type = {Journal Article}, abstract = {
Computational modelling is an efficient and effective tool for modelling the drying process for food products. Developing validated computational models for drying processes is essential to build energy-efficient drying units, producing uniform quality of dried products. This work presents drying behaviour of almonds with a specific focus on understanding interaction among multiple almonds. Eight (2 {\texttimes} 2 {\texttimes} 2) particles and twenty seven (3 {\texttimes} 3 {\texttimes} 3) particles arranged in the shape of a cuboid were used to conduct drying experiments in a Mettler Toledo Moisture Analyzer unit. Experiments were conducted to measure the moisture loss data with respect to drying time using almond kernels. Experimental data were used to understand drying kinetics as well as variation in moisture content with respect to their positions in a cuboid. Computational fluid dynamics based simulations were carried out for the flow, heat transfer and drying of particles in the unit. Actual geometry of individual particles was considered in simulations to predict the variation in velocity, heat and mass transfer coefficients for all the particles. Simulations predicted moisture loss data that matches well with the experimentally measured values. Average moisture for each layer was also compared for various intermediate drying times. Simulation results captured the overall drying process for multiple particles system adequately. The results are compared with the results obtained with drying of a single almond. The approach, models and presented results will be useful for designing large-scale drying units for almonds. {\textcopyright} 2017 Indian Institute of Chemical Engineers
}, keywords = {Almonds, CFD, Drying}, doi = {10.1080/00194506.2017.1363672}, author = {Chilka, A. G.}, editor = {Ranade, V. V.} } @article {44135, title = { Dynamic metabolic reprogramming of steroidal glycol-alkaloid and phenylpropanoid biosynthesis may impart early blight resistance in wild tomato (Solanum arcanum Peralta)}, journal = {Plant Molecular Biology}, volume = {95}, year = {2017}, month = {NOV}, pages = {411-423}, type = {Article}, abstract = {Alternaria solani severely affects tomato (Solanum lycopersicum L.) yield causing early blight (EB) disease in tropical environment. Wild relative, Solanum arcanum Peralta could be a potential source of EB resistance; however, its underlying molecular mechanism largely remains unexplored. Hence, non-targeted metabolomics was applied on resistant and susceptible S. arcanum accessions upon A. solani inoculation to unravel metabolic dynamics during different stages of disease progression. Total 2047 potential metabolite peaks (mass signals) were detected of which 681 and 684 metabolites revealed significant modulation and clear differentiation in resistant and susceptible accessions, respectively. Majority of the EB-triggered metabolic changes were active from steroidal glycol-alkaloid (SGA), lignin and flavonoid biosynthetic pathways. Further, biochemical and gene expression analyses of key enzymes from these pathways positively correlated with phenotypic variation in the S. arcanum accessions indicating their potential role in EB. Additionally, transcription factors regulating lignin biosynthesis were also up-regulated in resistant plants and electrophoretic mobility shift assay revealed sequence-specific binding of rSaWRKY1 with MYB20 promoter. Moreover, transcript accumulation of key genes from phenylpropanoid and SGA pathways along with WRKY and MYB in WRKY1 transgenic tomato lines supported above findings. Overall, this study highlights vital roles of SGAs as phytoalexins and phenylpropanoids along with lignin accumulation unrevealing possible mechanistic basis of EB resistance in wild tomato.}, doi = {10.1007/s11103-017-0660-2}, author = {Shinde, Balkrishna A. and Dholakia, Bhushan B. and Hussain, Khalid and Panda, Sayantan and Meir, Sagit and Rogachev, Ilana and Aharoni, Asaph and Giri, Ashok P. and Kamble, Avinash C.} } @article {43802, title = {Effect of ligand attachment on the C-I bond dissociation process on aluminum nanoclusters: a DFT investigation}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {AUG}, pages = {17354-17364}, type = {Article}, abstract = {The influence of the ligand attachment on the activation process of carbon halogen bond on small sized aluminum nanoclusters are investigated using density functional theory. Attaching suitable ligand to metal clusters is among the widely popular techniques often used by experimentalists in order to stabilize metastable clusters. In depth theoretical investigations have shown that based on the jellium configuration of the cluster, attaching an electron withdrawing ligand can either make a cluster more reactive toward the C-I dissociation or may convert the cluster relatively inert. The alteration of the activation barriers and other associated parameters due to ligand attachment are included in this paper along with additional calculations and explanations. The study also shows that even the reaction parameters of specific magic clusters can be significantly altered via ligand attachment. The activation process of small molecules on metal clusters are of crucial importance for the development of material science and cluster chemistry. The present investigation will therefore be useful for better understanding of the properties of the ligated clusters as well as may also aid the experimentalists toward controlling the reactivity of a specific cluster as required.}, doi = {10.1021/acs.jocc.7b05470}, author = {Sengupta, Turbasu and Samanta, Bipasa and Pal, Sourav} } @article {45665, title = {Effect of molecular weight of curing agents on properties of nanocomposites based on epoxy resin and organoclay with reactive modifier}, journal = {Journal of Applied Polymer Science}, volume = {134 }, year = {2017}, month = {MAR}, pages = {44595}, type = {Article}, abstract = {Nanocomposites of epoxy resin and clay modified with half neutralized salt of Jeffamine D400 were prepared by curing separately with three polyetheramines curing agents of different molecular weights and reactivity. The molecular weight of curing agents and their structural similarity with modifier played an important role in deciding the curing behavior, thermomechanical, and morphological properties of epoxy/clay nanocomposites. Morphological analysis carried out by X-ray diffraction (XRD) and transmission electron microscope (TEM) clearly show that the dispersion of clay layers in epoxy matrix decreases with decreasing molecular weight of the curing agents. Curing study done by using temperature modulated differential scanning calorimetry (MDSC) demonstrates that extragallery reaction rate increases with decreasing molecular weight of curing agents. Dynamic mechanical analysis (DMA) of epoxy/3 wt \% modified clay composite prepared by curing with curing agent of higher molecular weight shows around 270\% improvement in storage modulus (glassy) as compared with its neat epoxy network.}, doi = {10.1002/APP.44595}, author = {Jagtap, Siddheshwar B. and Ratna, Debdatta} } @article {45810, title = {Effect of phytase and FYM on soil enzyme activities, microbial population and nutrient availability of non-calcareous soil}, journal = {Journal of the Indian Society of Soil Science}, volume = {65}, year = {2017}, month = {JUN}, pages = {222-229}, type = {Article}, abstract = {A pot culture experiment was conducted to assess the effect of phytase and FYM levels on soil enzyme activities and nutrient availability of non-calcareous soil under soybean cultivation. The treatment consisted of four levels of phytase (0, 1200, 2400 and 3600 IU) and FYM (0, 2.5, 5.0 and 7.5 t ha-1). Enzyme activities and nutrient availability in soil was assessed at 50\% flowering and harvest of soybean. It was observed that application of phytase @ 3600 IU recorded significantly higher acid and alkaline phosphatase and dehydrogenase activity at both the growth stages of soybean. Results revealed that significant interaction effect with combine application of phytase @ 3600IU and FYM @ 7.5 t ha-1 recorded higher bacterial, fungal and actinomycetes population. Combined application of phytase @ 3600 IU and FYM @ 7.5 t ha-1 recorded significantly higher available nitrogen (289.3 and 213.6 kg ha-1) and potassium (295.0 and 270.6 kg ha-1) at 50\% flowering and at harvest of soybean, respectively. However, in case of phosphorus (P), at 50\% flowering significantly higher available P was recorded with phytase @ 3600 IU + 7.5 t ha-1 (23.9 kg ha-1). Reduction trend obtained for calcium carbonate content from 4.24 to 3.68\% at 50\% flowering and from 4.20 to 3.60\% at harvest stage was obtained with the application of phytase @ 3600 IU. This study suggest that application of phytase in combination with manure substantially improves soil biological activities as well as better nutrient supply to crop.}, issn = {0019638X}, doi = {10.5958/0974-0228.2017.00025.1}, author = {Jadhav, A.B. and Suradkar, R. and Taggu, B. and Tamboli, B.D. and Priyanka, B.} } @article {45669, title = {Effect of postharvest ethylene treatment on sugar content, glycosidase activity and its gene expression in mango fruit}, journal = {Journal of the Science of Food and Agriculture}, volume = {97 }, year = {2017}, month = {MAR}, pages = {1630-1639}, type = {Article}, abstract = {
BACKGROUND: Ripening-associated softening is one of the important attributes that largely determines the shelf-life of mango (Mangifera indica Linn.) fruits. To reveal the effect of pre-climacteric ethylene treatment on ripening-related softening of Alphonso mango, ethylene treatment was given to mature, raw Alphonso fruits. Changes in the pool of reducing and non-reducing sugars, enzymatic activity of three glycosidases: ss-D-galactosidase, alpha-D-mannosidase and ss-D-glucosidase and their relative transcript abundance were analysed for control and ethylene treated fruits during ripening. RESULTS: Early activity of all the three glycosidases and accelerated accumulation of reducing and non-reducing sugars on ethylene treatment was evident. ss-D-Galactosidase showed the highest activity among three glycosidases in control fruits and marked increase in activity upon ethylene treatment. This was confirmed by the histochemical assay of its activity in control and ethylene treated ripe fruits. Relative transcript abundance revealed high transcript levels of ss-D-galactosidase in control fruits. Ethylene-treated fruits showed early and remarkable increase in the ss-D-galactosidase transcriptswhile alpha-D-mannosidase transcript variants displayed early accumulation. CONCLUSION: Thefindings suggest reduction in the shelf-life of Alphonso mango upon pre-climacteric ethylene treatment, a significant role of ss-D-galactosidase and alpha-D-mannosidase in the ripening related softening of Alphonso fruits and transcriptional regulation of their expression by ethylene. (C) 2016 Society of Chemical Industry
}, doi = {10.1002/jsfa.7912}, author = {Chidley, Hemangi G. and Deshpande, Ashish B. and Oak, Pranjali S. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article {45697, title = {Effect of reduction protocol of Pd catalysts on product distribution in furfural hydrogenation}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {JAN}, pages = {24-32}, type = {Article}, abstract = {Single step conversion of furfural to ring hydrogenation and decarbonylation products, 2-methyltetrahydrofuran (2-MeTHF) and tetrahydrofuran (THF) in high selectivity was achieved by controlling the particle size of Pd/C catalyst. The particle size variation of Pd/C catalysts in the range of 3.8 to 22 nm could be achieved by employing different reducing agents. Of particular interest was the NaBH4 reduced catalyst (Pd-B/C), which gave the lowest crystallite size of 4.8 nm due to incorporation of B into the inner lattices of Pd-Pd. This phase was evidenced by a characteristic XRD peak of Pd-B at 2q=38.85 degrees as well as a shift of (111) peak (40.07 degrees) of Pd towards the lower value (39.8 degrees). As compared to formaldehyde reduced catalyst (Pd-F/C), Pd-B/C catalyst completely suppressed the formation of furfuryl alcohol to give > 65\% selectivity to 2-MeTHF and THF. At 180 degrees C, almost equal distribution of side chain hydrogenation and ring opening products, 2-MF (45\%) and PeDO (37 \%), respectively, was observed while, higher temperature clearly favoured ring hydrogenation and decarbonylation reactions to give 2-MeTHF and THF.}, doi = {10.1002/slct.201601790}, author = {Date, N. S. and Biradar, N. S. and Chikate, R. C. and Rode, C. V.} } @article {45811, title = {Effect of Ru precursors and reduction conditions on catalyst performance in glycerol hydrogenolysis}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {FEB}, pages = {1734-1745}, type = {Article}, abstract = {Catalyst precursors, their reduction protocols and reaction conditions integrally influenced the activity and selectivity pattern in glycerol hydrogenolysis. Ru prepared from chloride precursor (Ru(Cl)/C-B) showed the maximum selectivity to C-C cleavage products EG (56 \%) and methanol (17 \%) with 23 \% selectivity to 1,2-PDO. While, that prepared from nitrosyl precursor (Ru(n)/C-B) showed higher selectivity to 1,2-PDO (44 \%) and lower to EG (42 \%). The catalysts prepared either with chloride or nitrosyl precursors but reduced by H2 showed lower glycerol conversion (10-11 \%) than NaBH4 reduced catalysts. For these catalysts, 1,2-PDO selectivity increased to 40{\textendash}43 \% along with the major formation of 2-propanol (48-49 \%) and very less selectivities to C-C cleavage products. The lower activity of the H2 reduced catalysts can be related to their lower acidity and the bigger Ru metal particle size (3-5 nm). For Ru(Cl)/C-B catalyst, glycerol conversion increased from 28{\textendash}97 \% with a rise in temperature from 180 to 250 oC also favoring 1,2-PDO selectivity; indicating that C-O bond cleavage was favoured in comparison to C-C scission, at higher temperature. }, issn = {23656549}, doi = {10.1002/slct.201700049}, author = {Mane, R.B. and Patil, S.T. and Gurav, H. and Rayalu, S.S. and Rode, C.V.} } @article {43779, title = {Effect of shape of protrusions and roughness on the hydrophilicity of a surface}, journal = {Chemical Physics Letters}, volume = {658}, year = {2017}, month = {OCT}, pages = {34-39}, type = {Article}, abstract = {We have investigated wetting of model rough surfaces made up of hydrophilic triangular and hexagonal pillars (protrusions). The surface roughnesses are altered by varying the area of the rough surface, the height of the pillars, and the surface interactions to the water. We have established a correlation between structure i.e., the shape of a pillar, which actually depends on the number of edges (due to shape), and the wetting phenomena. We have found that surface with higher number of edges repels water at lower roughness value. We explain the correlation by analyzing the variation of interactions energy components and density profiles of water on the structured surfaces. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cplett.2017.07.015}, author = {Chowdhury, Sheelan Sengupta and Pandey, Prithvi Raj and Kumar, Rajnish and Roy, Sudip} } @article {43518, title = {Effect of side-chain functionality on the organic field-effect transistor performance of oligo(p-phenylenevinylene) derivatives}, journal = {Journal of Applied Polymer Science}, volume = {134}, year = {2017}, month = {JUN}, abstract = {In order to observe the effects of the substitution of electronegative flourine with aromatic groups in oligo(p-phenylenevinylene) compounds on their packing, morphology, and charge carrier mobility, we have synthesized napthol-substituted oligo(p-phenylenevinylene) compounds and examined their solubility, redox properties, thin film morphologies, and charge carrier properties. To date, very few examples of conjugated oligomers bearing napthol side groups have been reported in the literature. After annealing at 150 degrees C, the mobility of S1, S2, and S3 was 4.0x10(-2) cm(2) V-1 s(-1), 1.2x10(-2) cm(2) V-1 s(-1), and 2.6x10(-3) cm(2) V-1 s(-1), respectively. (c) 2017 Wiley Periodicals, Inc.}, doi = {10.1002/app.44825}, author = {Chini, Mrinmoy Kumar and Chatterjee, Shyambo} } @article {44133, title = { Effect of size and site preference of trivalent non-magnetic metal ions (Al3+, Ga3+, In3+) substituted for Fe3+ on the magnetostrictive properties of sintered CoFe2O4}, journal = {Journal of Physics D-Applied Physics}, volume = {50}, year = {2017}, month = {NOV}, pages = {Article Number: 435005}, type = {Article}, abstract = {The influence of size and crystallographic site preference of three non-magnetic isovalent metal ions of larger (In3+), comparable (Ga3+) and smaller (Al3+) sizes, substituted for Fe3+ in the spinel lattice of CoFe2O4 on its magnetostrictive properties is compared. For the different compositions in CoFe2-xMxO4 (M = In3+, Ga3+, Al3+ and 0 <= x <= 0.3), significant changes in the structural and magnetic parameters are observed with the degree of substitution, due to the size and site preferences. Magnetic and Raman spectral studies revealed that Al3+ is substituted for Fe3+ at both octahedral and tetrahedral sites for all compositions, whereas In3+ and Ga3+ are substituted for Fe3+ at the tetrahedral site only for x <= 0.2 and partly at the octahedral site for x > 0.2. Regardless of the differences in the ionic size, site preference and the magnetic properties, compositions in all three series with x = 0.1 showed almost equal magnitude of maximum magnetostriction (lambda(max) = similar to 230 ppm), marginally higher than that of x = 0 (217 ppm). However, at higher substituted compositions, lambda(max) is decreased with x, but the decrease is much faster for the Al-substituted compositions. The maximum strain sensitivity, [d lambda/dH](max), is also found to be comparable for all three compositions. The comparable magnetostriction characteristics and high strain at low magnetic fields for different substituted compositions at low levels of substitution are attributed to the local structural distortions associated with the inhomogeneous distribution of the substituted ions in the spinel ferrite lattice. The studies suggest ways to optimise the magnetostriction properties of properly substituted sintered cobalt ferrite for applications in sensors and actuators.}, doi = {10.1088/1361-6463/aa8af6}, author = {Anantharamaiah, P. N. and Joy, P. A.} } @article {43860, title = {Effect of viscoelastic relaxation modes on stability of extrusion film casting process modeled using multi-mode Phan-Thien-Tanner constitutive equation}, journal = {Applied Mathematical Modelling}, volume = {47}, year = {2017}, month = {JUL}, pages = {487-500}, type = {Article}, abstract = {Extrusion film casting (EFC) is a commercially important process that is used to produce a significant quantity of polymer films, sheets and coatings for both industrial and household applications. Recently, we have demonstrated the influence of polymer chain architecture on the extent of necking under isothermal as well as non-isothermal film casting operation for commercially relevant polyolefin based materials [1-4]. In the present research, we focus on another instability that frequently occurs in high-speed EFC process called as draw resonance. Draw resonance manifests itself as an instability that causes periodic fluctuations in both the width as well as thickness of the extruded molten film above a critical draw ratio (DR). In this work, we have carried out a linear stability analysis of the isothermal EFC process using a multi-mode Phan-Thien-Tanner (PTT) constitutive equation to determine the onset of draw resonance. We show that as the number of relaxation modes is increased there is a dramatic change in the stability regions. In particular, there is a marked variation in the stability regions obtained by Simulating the multi-mode model and those obtained by taking averaged relaxation time of the modes. Additionally, as the number of faster-relaxing modes in a multi-mode spectrum is progressively increased, the process becomes increasingly stable as the level of elasticity in the melt decreases. Finally, the addition of a long relaxation mode in a multi-mode spectrum is akin to adding a long chain branch to a linear polymer that leads to a reduction in film necking and in many cases to enhanced process stability. (C) 2017 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.apm.2017.03.010}, author = {Dhadwal, Renu and Banik, Sourya and Doshi, Pankaj and Pol, Harshawardhan} } @article {43962, title = {Effective degradation of organic water pollutants by atmospheric non-thermal plasma torch and analysis of degradation process}, journal = {Chemosphere}, volume = {167}, year = {2017}, month = {JAN}, pages = {396-405}, type = {Article}, abstract = {The paper reports the use of atmospheric non-thermal plasma torch as a catalyst for degradation of various organic pollutants dissolved in water. A flow of He mixed with air was used to produce the dielectric barrier discharge (DBD), at the tip of the torch, using pulsed electric excitation at 12 kV. The torch, operated at a power of 750 mW/mm{\texttwosuperior}, was seen to completely degrade the aqueous solutions of the pollutants namely methylene blue (MB), methyl orange (MO) and rhodamine-B (RB), at around 10$^{-}$$^{4}$ M concentrations, the concentration of polluants is one order higher than of routinely used heterogeneous photocatalytic reactions, within 10 min of irradiation time at room temperature. UV Visible spectra of the organic dye molecules, monitored after different intervals of plasma-irradiation, ranging between 1 and 10 min, have been used as tools to quantify their sequential degradation. Further, instead of using He, only air was used to form plasma plume and used for degradation of organic dye which follow similar trend as that of He plasma. Further, Liquid Chromatography Mass Spectroscopy (LCMS) technique has been used to understand degradation pathway of methylene blue (MB) as a representative case. Total organic carbon (TOC) measurements indicates significant decrease in its content as a function of duration of plasma exposure onto methylene blue as a representative case. Toxicity studies were carried out onto Gram negative Escherichia coli. This indicated that methylene blue, without plasma treatment, shows growth inhibition, whereas with plasma treatment no inhibition was observed.}, doi = {10.1016/j.chemosphere.2016.09.089}, author = {Bansode, Avinash H. and More, Supriya Eknath and Siddiqui, Ejaz Ahmad and Satpute, Shruti and Ahmad, Absar and Bhoraskar, Sudha V. and Mathe, Vikas L.} } @article {43738, title = {Effects of micellization on growth kinetics of methane hydrate}, journal = {Industrial \& Engineering Chemistry Research}, volume = {56}, year = {2017}, month = {APR}, pages = {3687-3698}, type = {Article}, abstract = {Surfactants are Specific functional materials, that form various types of self-assemblies and affect local water ordering alongside solution properties. Such surface active agents are used extensively in gas hydrate based applications as kinetic hydrate promoters. To understand the effect of surfactant micelles on hydrate formation kinetics, a novel surfactant system capable of producing micelles at hydrate forming temperature was developed. The presence of surfactant micelles in this new system (a combination of anionic surfactant SDS and zwitterionic surfactant CAPB) was determined through DLS measurements. Pure methane and a coal bed methane mixture were individually used to assess the efficacy of the surfactant mixture for hydrate formation. This study conclusively proves for the first time that the presence of surfactant micelles enhances hydrate formation kinetics. The findings reported here can contribute significantly toward improving the utility of surfactants in gas hydrate based technological applications such as gas separation and methane storage.}, doi = {10.1021/acs.iecr.7b00328}, author = {Bhattacharjee, Gaurav and Kushwaha, Omkar Singh and Kumar, Asheesh and Khan, Muzammil Yusuf and Patel, Jay Narayan and Kumar, Rajnish} } @article {44170, title = {Efficient and durable oxygen reduction electrocatalyst based on CoMn alloy oxide nanoparticles supported over N-doped porous graphene}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {OCT}, pages = {6700-6710}, type = {Article}, abstract = {Transition metal oxide derived materials are very important for various applications, such as electronics, magnetism, catalysis, electrochemical energy conversion, and storage. Development of efficient and durable catalysts for the oxygen reduction reaction (ORR), an important reaction in fuel cells and metal air batteries, is highly desirable. Moreover, the futuristic catalysts for these applications need to be costeffective in order to ensure a competitive edge for these devices in the energy market. This article describes the synthesis of a cost-effective and efficient electrocatalyst for ORR It is based on supporting CoMn alloy oxide nano particles on N-doped porous graphene through a simple and scalable microwave irradiation method. Microwave irradiation was found to be very crucial for the fast creation of pores in the graphene framework with a concomitant formation of the CoMn alloy oxide nanoparticles. A series of catalysts have been synthesized by varying the Co:Mn ratio, among which, the one with the Co:Mn ratio of 2:1 [designated as CoMn/pNGr(2:1)] displayed remarkably higher ORR activity in 0.1 M KOH solution. It showed a similar to 60 mV potential shift with a low Tafel slope of 74 mV/decade, which is comparable to that derived from the commercial Pt/C catalyst. This high activity of CoMn/pNGr(2:1) has been credited to the cooperative effect arising from the metal entities and the defects present in the N-doped porous graphene. Finally, real system-level validations of the use of CoMn/pNGr(2:1) as cathode catalyst could be performed by fabricating and testing single-cells of an anion-exchange membrane fuel cell (AEMFC) and a primary Zn-air battery, which successfully demonstrated the efficiency of the catalyst to facilitate ORR in real integrated systems of the single-cell assemblies.}, keywords = {anion-exchange membrane fuel cell, cooperativity effect, microwave synthesis, oxygen reduction reaction, porous N-doped graphene, Zn-air battery}, issn = {2155-5435}, doi = {10.1021/acscatal.7b01983}, author = {Singh, Santosh K. and Kashyap, Varchaswal and Manna, Narugopal and Bhange, Siddheshwar N. and Soni, Roby and Boukherroub, Rabah and Szunerits, Sabine and Kurungot, Sreekurnar} } @article {43982, title = {Efficient exciton to dopant energy transfer in Mn2+-Doped (C4H9NH3)2PbBr4 two-dimensional (2D) layered perovskites}, journal = {Chemistry of Materials}, volume = {29}, year = {2017}, month = {SEP}, pages = {7816-7825}, type = {Journal Article}, abstract = {Three-dimensional ABX3 perovskite material has attracted immense interest and applications in optoelectronic devices, because of their enabling properties. Recently, Mn2+ doping directly into APbCl3-type three-dimensional (3D) nanocrystals, manifesting host-to-dopant energy transfer, have been reported for LED display applications. Strongly bound excitons in the doped system can enhance the dopant-carrier exchange interactions, leading to efficient energy transfer. Here, we report the simple and scalable synthesis of Mn2+-doped (C4H9NH3)2PbBr4 two-dimensional (2D) layered perovskites. The Mn2+-doped 2D perovskite shows enhanced energy transfer efficiency from the strongly bound excitons of the host material to the d electrons of Mn2+ ions, resulting in intense orange-yellow emission, which is due to spin-forbidden internal transition (4T1 {\textrightarrow} 6A1) with the highest quantum yield (Mn2+) of 37\%. Because of this high quantum yield, stability in ambient atmosphere, and simplicity and scalability of the synthetic procedure, Mn2+-doped 2D perovskites could be beneficial as color-converting phosphor material and as energy down-shift coating for perovskite solar cells. The newly developed Mn2+-doped 2D perovskites can be a suitable material to tune dopant-exciton exchange interactions to further explore their magneto-optoelectronic properties.}, keywords = {Doping (additives), Energy Efficiency, Energy Transfer, Exchange interactions, Excitons, Light Emitting Diodes}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.7b02429}, author = {Biswas, A.}, editor = {Bakthavatsalam, R.} } @article {43366, title = {Efficient hydrogenation of concentrated aqueous furfural solutions in to furfuryl alcohol under ambient conditions in presence of PtCo bimetallic catalysts}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {JAN}, pages = {1144-1154}, type = {Article}, abstract = {
Furfural (FAL), a major biomass-derived chemical, can be hydrogenated to yield the industrially importantplatform chemical, furfuryl alcohol (FOL). Although heterogeneous catalyst-based methods are known toyield FOL from dilute solutions of FAL, they mainly operate at high temperatures and/or high pressures ofhydrogen and in the presence of organic solvents. In this work, we employ bimetallic PtCo/C catalysts withvarying metal concentrations to achieve the maximum possible FOL yield (100\%) at 35 {\textdegree}C under 0.1 MPa H2in water. With concentrated FAL (40 wt\%) at 50 {\textdegree}C and under 1 MPa H2pressure, 86\% yield of FOL wasobserved. Moreover, efficient catalyst recycling was observed over at least four runs with marginal loss inactivity due to handling error and isolation of FOL in pure form confirmed by NMR and HPLC.Characterization of catalysts with several physico-chemical techniques (XRD, TEM, XPS, ICP, TPR) revealsthe presence of electron-rich Pt and ionic Co species in proximity with each other and these worksynergistically to facilitate maximum possible yield of FOL under ambient conditions and in water medium
}, doi = {10.1039/C6GC03143A}, author = {Dohade, Manisha and Dhepe, Paresh Laxmikant} } @article {45767, title = {Efficient organic photovoltaics with improved charge extraction and high short-circuit current}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {MAR }, pages = {5523-5530}, type = {Article}, abstract = {
Exciton generation, dissociation, free carrier transport, and charge extraction play an important role in the short-circuit current (J(sc)) and power conversion efficiency of an organic bulk heterojunction (BHJ) solar cell (SC). Here we study the impact of band offset at the interfacial layer and the morphology of active layer on the extraction of free carriers. The effects are evaluated on an inverted BHJ SC using zinc oxide (ZnO) as a buffer layer, prepared via two different methods: ZnO nanoparticle dispersed in mixed solvents (ZnO A) and sol-gel method (ZnO B). The device with ZnO A buffer layer improves the charge extraction and J(sc),. The improvement is due to the better band offset and morphology of the blend near the ZnO A/active layer interface. Further, the numerical analysis of current-voltage characteristics illustrates that the morphology at the ZnO A/active layer interface has a more dominant role in improving the performance of the organic photovoltaic than the band offset.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b01314}, author = {Mohan, Minu and Nandal, Vikas and Paramadam, Sanish and Reddy, Kasala Prabhakar and Ramkumar, Sekar and Agarwal, Sumanshu and Gopinath, Chinnakonda S. and Nair, Pradeep R. and Namboothiry, Manoj A. G.} } @article {45764, title = {Efficient oxidation of ethyl benzene using in situ generated molybdenum acetylide oxo-peroxo complex as recyclable catalyst}, journal = {Applied Catalysis A-General}, volume = {531}, year = {2017}, month = {FEB }, pages = {45-51}, type = {Article}, abstract = {
Selective oxidation of various alkanes/alkyl aromatics to corresponding carbonyl compounds has been carried out with very high conversion (similar to 98\%) and selectivity (up to 100\%) for carbonyl compounds using cyclopentadienyl molybdenum acetylide complex, CpMo(CO)(3)(C CPh) (1) as catalyst and tert-butyl hydrogen peroxide (TBHP) as an oxidant and turnover number (TON) of 88 was obtained with turnover frequency (TOF) of 2.45 h(-1). Mo acetylide oxo-peroxo species is formed in situ by reaction of 1 with TBHP during the course of reaction as catalytically active species. Interestingly even though the catalytically active species is homogeneous in nature it could be recycled very easily by recovering the catalytically active species as solid after addition of diethyl ether, and separating the products into organic phase. In the case of ethyl benzene oxidation, even after three recycles no appreciable loss in ethyl benzene conversion and acetophenone selectivity was observed. This complex showed high catalytic activity for the oxo functionalization of other alkyl aromatics and alkanes such as substituted ethyl benzenes, toluene as well as cyclohexane. TBHP was found to be more efficient oxidant than hydrogen peroxide for this oxidation. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Alkyl aromatics, Carbonyl compounds, Homogeneous catalysis, Molybdenum acetylide complex, Oxo-peroxo species}, issn = {0926-860X}, doi = {10.1016/j.apcata.2016.12.003}, author = {Khomane, Sonali B. and Doke, Dhananjay S. and Dongare, M. K. and Halligudi, S. B. and Umbarkar, S. B.} } @article {44113, title = {Efficient palladium catalyzed Mizoroki-Heck cross-coupling in water}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {DEC}, pages = {5958-5970}, type = {Article}, abstract = {The homogeneous Pd-catalysed Mizoroki-Heck coupling reaction was successfully performed in water in the absence of any additives under aerobic conditions. The various key reaction parameters that affect the yield of the desired cross-coupling product were optimized. The Pd(PPh3)(4)/Et3N/H2O/98 degrees C catalyst system was found to be highly active (TOF = 12 to 14 h(-1)) towards achieving excellent yield of the Mizoroki-Heck coupling products for a wide range of electron-withdrawing as well as electron-donating aryl bromides and chlorides in the shortest reaction time. Pd(PPh3) 4 catalyst deactivation during the Mizoroki-Heck coupling reaction was investigated and to evolve a strategy for achieving ten times Pd-metal recyclability without appreciable loss of its activity. Thus, the proposed mechanism provides access to a variety of olefins in aqueous medium, making this protocol eco-friendly.}, doi = {10.1039/c7gc02869e}, author = {Jadhav, Sanjay N. and Rode, Chandrashekhar V.} } @article {43539, title = {Efficient Sn(II)-catalyzed one-pot synthesis of a 3-substituted azetidine-2,4-dione framework}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {MAR}, pages = {2385-2391}, abstract = {A novel Sn(II)-catalyzed tandem cyclization reaction of aromatic aldehydes with ethyl cyanoacetate has been achieved to afford a series of 3-substituted azetidine-2,4-diones in good to excellent yields. This protocol provides straightforward access to construct the azetidine core through sequential Knoevenagel condensation, hydration and the C-N cyclization reaction.}, doi = {10.1039/c7ob00294g}, author = {Chavan, Santosh S. and Supekar, Mrudul V. and Burate, Pralhad A. and Rupanwar, Bapurao D. and Shelke, Anil M. and Suryavanshi, Gurunath} } @article {45653, title = {Efficient synthesis of functionalized olefins by wittig reaction using amberlite resin as a mild base}, journal = {Synthetic Communications}, volume = {47 }, year = {2017}, month = {JUL}, pages = {581-589}, type = {Article}, abstract = {
A convenient procedure for the synthesis of olefins by the reaction of stabilized, semistabilized, and nonstabilized phosphorous ylides with various aldehydes or ketone using Amberlite resin as a mild base is described. Our developed method offers facile and racemization-free synthesis of ,-unsaturated amino esters and chiral allylic amine. The developed methodology offers mild reaction conditions, high efficiency, and facile isolation of the final products, a practical alternative to known procedures
}, doi = {10.1080/00397911.2016.1276191}, author = {Valkute, Tushar R. and Aratikatla, Eswar K. and Bhattacharya, Asish K.} } @article {43843, title = {Efficient synthesis of the opioid analgesic (R)-phenampromide via an aziridinium ion}, journal = {Tetrahedron-Asymmetry}, volume = {28}, year = {2017}, month = {JUL}, pages = {983-986}, type = {Article}, abstract = {A simple and efficient synthesis of the opioid analgesic agent (R)-phenampromide with high enantiopurity (> 99\% ee) via the formation of an aziridinium ion as a key step using commercially available starting material is described. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetasy.2017.06.001}, author = {Mujahid, Mohammad and Mujumdar, Prashant and Sasikumar, Murugesan and Deshmukh, Shirish P. and Muthukrishnan, Murugan} } @article {43505, title = {Efficient trifluoromethylation of C(sp(2))-H functionalized alpha-oxoketene dithioacetals: a route to the regioselective synthesis of functionalized trifluoromethylated pyrazoles}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {JAN}, pages = {10150-10153}, abstract = {An operationally simple approach for the regioselective construction of diversely substituted trifluoromethylated pyrazoles via nucleophilic trifluoromethylation of iodo-substituted alpha-oxoketene dithioacetals is described. X-ray crystallographic studies confirmed the trifluoromethylation as well as formation of a regioselective cyclized product. Furthermore, trifluoromethylated pyrazoles bearing thiomethyl groups may allow further functionalization and are of considerable interest in medicinal chemistry.}, doi = {10.1039/c7ra01130j}, author = {Sharma, N. and Kumari, N. and Chundawat, T. S. and Kumar, S. and Bhagat, S.} } @article {43916, title = {Efficient valorisation of palm shell powder to bio-sorbents for copper remediation from aqueous solutions}, journal = {Journal of Environmental Chemical Engineering}, volume = {5}, year = {2017}, month = {APR}, type = {Article}, abstract = {Alternative bio-sorbents, prepared from cost effective pre-treatment of biomass have been used to remediate toxic heavy metals. Palm shell powder (PSP) and acid treated palm shell powder (APSP) provide an attractive approach for the removal of Cu(II) from aqueous solutions and further use of the copper loaded adsorbents as catalysts. PSP was charred with sulfuric acid (H2SO4) to oxidize ligno-cellulosic groups present in PSP, resulted in acid treated palm shell powder (APSP). Structure property relationship was explored with the help of sophisticated spectroscopic tools ({\textonesuperior}{\textthreesuperior}C nuclear magnetic resonance ({\textonesuperior}{\textthreesuperior}C NMR), X-Ray photoelectron spectroscopy (XPS), X-Ray diffraction (XRD) and Fourier-transform infrared (FTIR) spectroscopy). Pretreatment lead to conversion of ligno-cellulosic content to more valuable and easily process-able polysaccharide content.APSP and PSP displayed a maximum adsorption capacity of 125 and 36 mg/g respectively for copper. Copper adsorption was found to be more in APSP due to presence of COOH groups which rendered the surface more hydrophilic and amenable to enhanced Cu{\texttwosuperior}$^{+}$ sorption. Furthermore the adsorbents loaded with copper could be used as catalysts for oxidation of styrene. The developed adsorbents promise advantages such as low cost, high adsorption capacity, environmental friendliness as well as zero sludge. }, doi = {10.1016/j.jece.2017.04.033}, author = {Kushwaha, Shilpi and Soni, Harnish and Bojja, Sreedhar and Padmaja, P.} } @article {43462, title = {Elastic compressible energy storage devices from ice templated polymer gels treated with polyphenols}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {FEB}, pages = {3270-3278}, abstract = {Design and fabrication of rechargeable energy storage devices that are robust to mechanical deformation is essential for wearable electronics. We report the preparation of compressible supercapacitors that retain their specific capacitance after large compression and that recover elastically after at least a hundred compression expansion cycles. Compressible supercapacitors are prepared using a facile, scalable method that readily yields centimeter-scale macroporous objects. We ice template a solution of polyethylenimine in green tea extract to prepare a macroporous cross-linked polymer gel (PG) whose walls are impregnated with green tea derived polyphenols. As the PG is insulating, we impart conductivity by deposition of gold on it. Gold deposition is done in two steps: first, silver nanoparticles are formed on the PG walls by in situ reduction by polyphenols and then gold films are deposited on these walls. Gold coated PGs (GPGs) were used as electrodes to deposit poly(3,4-ethylenedioxythiophene) as a pseudocapacitive material. The specific capacitance of PEDOT coated GPGs (PGPG) was found to be 253 F/g at 1 A/g. PGPG could be compressed and expanded over a hundred cycles without any suffering mechanical failure or loss of capacitative performance. The capacitance was found to be 243 F/g upon compressing the device to 25\% of its original size (viz. compressive strain = 75\%). Thus, even large compression does not affect the device performance. This device shows power and energy densities of 2715 W/kg and 22 Wh/kg, respectively, in the uncompressed state. The macroporous nature of PGPG makes it possible to fill the PGPG pores with gel electrolyte. We report that the gel electrolyte filled supercapacitor exhibited a specific capacitance of 200 F/g, which increased by 4\% upon 75\% compression.}, doi = {10.1021/acs.jpcc.6b12822}, author = {Das, Chayanika and Chatterjee, Soumyajyoti and Kumaraswamy, Guruswamy and Krishnarnoorthy, Kothandam} } @article {43776, title = {Electrical resistance tomography for gas holdup in a gas-liquid stirred tank reactor}, journal = {Chemical Engineering Science}, volume = {170}, year = {2017}, month = {OCT}, pages = {476-490}, abstract = {Gas-Liquid flows in stirred tank reactors (STR) are used in many significant industrial operations such as hydrogenation, absorption, stripping, oxidation, hydrogenation, ozonation, chlorination, fermentation, etc. Gas-Liquid STRs are expected to perform several functions such as mixing, dispersing gas into liquid, mass and heat transfer and reactions. Gas hold up distribution and various flow regimes are the key parameters affecting performance of gas-liquid STRs. Various techniques such as visual analysis, photography, light attenuation, optical probe method are used to understand gas hold-up distribution within stirred tanks. Most of these techniques have some limitations with respect to measurement of gas hold up distribution. Electrical Resistance Tomography (ERT) is an upcoming technique for obtaining both qualitative and quantitative data on multiphase process units non-invasively and non-intrusively. In this work, an attempt was made to establish and validate the ERT technique for characterizing gas-liquid flows in a laboratory scale STR using the Rushton turbine impeller. ERT was used to study gas holdup and to identify flow regimes. The results were compared with the visual measurements as well as previously published correlations. The effect of gas flow rate, impeller speed on the mean gas holdup is discussed. The methodology and results presented in this work will be useful to effectively apply ERT for characterizing gas-liquid flows in stirred tanks. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.ces.2017.04.025}, author = {Sardeshpande, Madhavi V. and Gupta, Suraj and Ranade, Vivek V.} } @article {43549, title = {Electrochemical formation of Fe-V (O) and mechanism of its reaction with water during O-O bond formation}, journal = {Chemistry-A European Journal}, volume = {23 }, year = {2017}, month = {MAR}, pages = {3414-3424}, type = {Journal Article}, abstract = {A detailed electrochemical investigation of a series of iron complexes (biuret-modified tetraamido iron macrocycles FeIII-bTAML), including the first electrochemical generation of Fe-V(O), and demonstration of their efficacy as homogeneous catalysts for electrochemical water oxidation (WO) in aqueous medium are reported. Spectroelectrochemical and mass spectral studies indicated FeV(O) as the active oxidant, formed due to two redox transitions, which were assigned as Fe-IV(O)/Fe-III(OH2)and Fe-V(O)/Fe-IV(O). The spectral properties of both of these high-valent iron oxo species perfectly match those of their chemically synthesised versions, which were thoroughly characterised by several spectroscopic techniques. The O-O bond-formation step occurs by nucleophilic attack of H2O on FeV(O). A kinetic isotope effect of 3.2 indicates an atom-proton transfer (APT) mechanism. The reaction of chemically synthesised Fe-V(O) in CH3CN and water was directly probed by electrochemistry and was found to be first-order in water. The pK(a) value of the buffer base plays a critical role in the rate-determining step by increasing the reaction rate several-fold. The electronic effect on redox potential, WO rates, and onset overpotential was studied by employing a series of iron complexes. The catalytic activity was enhanced by the presence of electron-withdrawing groups on the bTAML framework. Changing the substituents from OMe to NO2 resulted in an eightfold increase in reaction rate, while the overpotential increased threefold.}, doi = {10.1002/chem.201605061}, author = {Pattanayak, Santanu and Chowdhury, Debarati Roy and Garai, Bikash and Singh, Kundan K. and Paul, Amit and Dhar, Basab B. and Sen Gupta, Sayam} } @article {43457, title = {Electrochemical synthesis of a ternary transition metal sulfide nanosheets on nickel foam and energy storage application}, journal = {Journal of Alloys and Compounds}, volume = {695}, year = {2017}, month = {FEB}, pages = {154-161}, abstract = {We report growth of nickel cobalt sulfide (NCS) ultrathin nanosheets directly on Ni foam substrate by a facile and novel electrodeposition method. The as-prepared NCS sample is used as an electrode material for supercapacitor application due to their large electrochemically active surface area and interconnected nanosheet channels for the facilitation of ion transportation. The NCS nanosheets possess enhanced electrochemical performance in terms of fast and high reversible faradaic reactions characterized by prominent oxidation and reduction peaks. NCS nanosheets showed an ultrahigh specific capacitance of 1712 Fg(-1) at a current density of 1 Ag-1 with excellent cyclic stability. The excellent supercapacitor performance of NCS nanosheets can be attributed to its rich redox reactions as well as high transport rate for both electrolyte ions and electrons. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jallcom.2016.10.163}, author = {Sahoo, Surjit and Naik, Kusha Kumar and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {43884, title = {Electrochemical water oxidation catalyzed by an in situ generated alpha-Co(OH)(2) film on zeolite-Y surface}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {JUN}, pages = {8051-8057}, type = {Article}, chapter = {8051-8057}, abstract = {The design and synthesis of an efficient and robust water-oxidation catalyst with inexpensive materials remains an important challenge in the context of artificial photosynthesis. Herein, a simple but unique technique is reported to in situ generate a thin-film of alpha-Co(OH)(2) on the surface of zeolite-Y [hereafter referred to as Y-alpha-Co(OH)(2)] that acts as an efficient and stable catalyst for electrochemical water oxidation in alkaline medium. Catalyst Y-alpha-Co(OH)(2) is so stable that it retains its catalytic activity even after 2000 cyclic voltammetric cycles of water oxidation. Expectedly, the chemical composition of alpha-Co(OH)(2) on the surface of zeolite-Y remains same as that of parent Y-alpha-Co(OH)(2) after 2000 electrocatalytic cycles. A Tafel slope as low as 59 mV decade(-1) in 0.1m KOH (pH 13) suggests faster oxygen evolution kinetics (overpotential = 329 mV; turnover frequency = 0.35 mol O-2 (mol Co)(-1)s(-1) at 1 mA cm(-2)) than the existing alpha-Co(OH)(2)-based electrocatalysts operating in alkaline medium.}, issn = {0947-6539}, doi = {10.1002/chem.201700955}, author = {Bose, Suranjana and Debgupta, Joyashish and Ramsundar, Rani M. and Das, Samar K.} } @article {45681, title = {Electrodeposited nickel cobalt manganese based mixed sulfide nanosheets for high performance supercapacitor application}, journal = {Microporous and Mesoporous Materials}, volume = {244}, year = {2017}, month = {MAY}, pages = {101-108}, type = {Article}, abstract = {Porous multi component Nickel Cobalt Manganese Sulfide (NCMS) nanosheets have been grown on Ni foam by cathodic electrodeposition method. The as-prepared NCMS nanosheets sample is used as an electrode material for supercapacitor application due to its large electrochemically active surface and high porosity structure. Moreover, NCMS nanosheets have good electrical and mechanical connections to the conductive Ni foam to achieve enhanced reaction kinetics with improved electrode integrity. The NCMS nanosheets exhibit an ultrahigh specific capacitance of 2717 Fig at a current density of 1 Aug with excellent cyclic stability and energy density of 94.07 Wh/kg. The electrodeposited NCMS nanosheets with extraordinary electrochemical performance enable the novel electrodes to hold great potential for high efficient energy storage systems. }, doi = {10.1016/j.micromeso.2017.02.043}, author = {Sahoo, S. and Mondal, R. and Late, D. J. and Rout, C. S.} } @article {45734, title = {Electronic control on linear versus branched alkylation of 2-/3-aroylbenzofurans with acrylates: combined DFT and synthetic studies}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {JUN }, pages = {7570-7581}, type = {Article}, abstract = {
Investigations on the factors that govern unusual branched alkylation of 2-aroylbenzofurans with acrylates by Ru-catalyzed carbonyl-directed C-H activation has been carried out by calculating the kinetics associated with the two key steps-the coordination of the acrylate with the intermediate ruthenacycle and the subsequent migratory insertion reaction-studied with the help of DFT calculations. Eight possible orientations for each mode of alkylation have been considered for the calculations. From these calculations, it has been understood that there is a synergistic operation of the steric and electronic effects favoring the branched alkylation. Further DFT investigations on the alkylation of the isomeric 3-aroylbenzofurans indicated a preference for the linear alkylation and this has been verified experimentally. Overall, the observed/calculated complementary selectivity in the alkylation of 2-/3-aroylbenzofurans with acrylates reveals that the substrate-dependent charge distribution of the Ru-C bond in the intermediate ruthenacycle is an important determining factor and thus the current work opens up a new domain of substrate design for controlling regioselectivity.
}, keywords = {acrylates, Alkylation, aroylbenzofuran, C-H activation, Density functional calculations}, issn = {0947-6539}, doi = {10.1002/chem.201700643}, author = {Srinivas, Kolluru and Dangat, Yuvraj and Kommagalla, Yadagiri and Vanka, Kumar and Ramana, Chepuri V.} } @article {44004, title = {Electron{\textendash}nucleus scalar{\textendash}pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework}, journal = {Molecular Physics}, year = {2017}, month = {MAY}, chapter = {1-6}, abstract = {
The scalar{\textendash}pseudoscalar interaction constant of PbF in its ground state electronic configuration is calculated using the Z-vector method in the relativistic coupled-cluster framework. The precise calculated value is very important to set upper bound limit on (Formula presented.)-odd scalar{\textendash}pseudoscalar interaction constant, ks, from the experimentally observed (Formula presented.)-odd frequency shift. Further, the ratio of the effective electric field to the scalar{\textendash}pseudoscalar interaction constant is also calculated which is required to get an independent upper bound limit of electric dipole moment of electron, de, and ks and how these (de and ks) are interrelated is also presented here. {\textcopyright} 2017 Informa UK Limited, trading as Taylor \& Francis Group
}, author = {Sasmal, S. and Talukdar, K. and Nayak, M.K. and Vaval, N. and Pal, S.} } @article {45720, title = {Electrostatic origin of the red solvatochromic shift of DFHBDI in RNA spinach}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {MAY}, pages = {4790-4798}, type = {Article}, abstract = {
Interactions with the environment tune the spectral properties of biological chromophores, e.g., fluorescent proteins. Understanding the relative contribution of the various types of noncovalent interactions in the spectral shifts can provide rational design principles toward developing new fluorescent probes. In this work, we investigate the origin of the red shift in the absorption spectra of the difluoro hydroxybenzylidene dimethyl imidazolinone (DFHBDI) chromophore in RNA spinach as compared to the aqueous solution. We systematically decompose the effects of various components of interactions, namely, stacking, hydrogen bonding, and long-range electrostatics, in order to elucidate the relative role of these interactions in the observed spectral behavior. We find that the absorption peak of DFHBDI is red-shifted by similar to 0.35 eV in RNA relative to the aqueous solution. Earlier proposals from Huang and co-workers have implicated the stacking interactions between DFHBDI and nucleic acid bases to be the driving force behind the observed red shift. In contrast, our findings reveal that the long-range electrostatic interactions between DFHBDI and negatively charged RNA. make the most significant contribution. Moreover, we notice that the opposing electrostatic fields due to the RNA backbone and the polarized water molecules around the RNA give rise to the resultant red shift. Our results emphasize the effect of strong heterogeneity in the various environmental factors that might be competing with each other.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.7b02445}, author = {Bose, Samik and Chakrabarty, Suman and Ghosh, Debashree} } @article {43873, title = {Elucidating the photoprotection mechanism of eumelanin monomers}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {JUN}, pages = {5988-5994}, type = {Article}, abstract = {Eumelanin, the functional polymer in human skin, forms a heterogeneous layered structure intrinsic to its broadband monotonic spectra. The inherent structural heterogeneity of eumelanin makes the photoprocesses very complex and diverse in nature. Due to this diversity, a complete mechanistic picture of these photoprocesses, essential to understanding the photoprotective properties, has been missing to date. In this study, we recreate the potential energy surfaces of the low-lying excited states of the multiple monomeric forms of eumelanin constituents that play a prominent role in either photoprotection or photodamage pathways. Our results indicate a diverse set of pathways for the photoexcited species to relax back to the ground state, that depends on the specific monomeric form. Furthermore, the excited state reaction channels show the scope of extensive interconversion between the different monomers and therefore, we propose that the heterogeneity of eumelanin is key to its photoprotection capability.}, doi = {10.1021/acs.jpcb.7b05123}, author = {Ghosh, Paulami and Ghosha, Debashree} } @article {44005, title = {Elucidation of molecular mechanism of stability of the heme-regulated eIF2α kinase upon binding of its ligand, hemin in its catalytic kinase domain}, journal = {Journal of Biomolecular Structure and Dynamics }, volume = {35}, year = {2017}, month = {SEP}, pages = {1-17}, type = {Journal Article}, abstract = {The eIF2α kinase activity of the heme-regulated inhibitor (HRI) is regulated by heme which makes it a unique member of the family of eIF2α kinases. Since heme concentrations create an equilibrium for the kinase to be active/inactive, it becomes important to study the heme binding effects upon the kinase and understanding its mechanism of functionality. In the present study, we report the thermostability achieved by the catalytic kinase domain of HRI (HRI.CKD) upon ligand (heme) binding. Our CD data demonstrates that the HRI.CKD retains its secondary structure at higher temperatures when it is in ligand bound state. HRI.CKD when incubated with hemin loses its monomeric state and attains a higher order oligomeric form resulting in its stability. The HRI.CKD fails to refold into its native conformation upon mutation of H377A/H381A, thereby confirming the necessity of these His residues for correct folding, stability, and activity of the kinase. Though our in silico study demonstrated these His being the ligand binding sites in the kinase insert region, the spectra-based study did not show significant difference in heme affinity for the wild type and His mutant HRI.CKD.}, keywords = {Heme Regulated Inhibitor (HRI), HRI-eIF2α Complex, Protein{\textendash}Ligand Modeling, Thermostability}, doi = {10.1080/07391102.2017.1368417}, author = {Bhavnani, V.}, editor = {Kaviraj, S.} } @article {43910, title = {Enantioselective synthesis of functionalized β-lactones by NHC-catalyzed aldol lactonization of ketoacids}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {AUG}, type = {Article}, abstract = {N-Heterocyclic carbene (NHC)-catalyzed intramolecular aldol lactonization of readily available ketoacids leading to the enantioselective synthesis of cyclopentane-fused β-lactones is presented. The reaction proceeds via the generation of NHC-bound enolate intermediates formed from the ketoacids in the presence of the peptide coupling reagent HATU and NHC generated from the chiral triazolium salt. The functionalized β-lactones are formed under mild conditions in high yields and enantioselectivities.}, doi = {10.1021/acs.joc.7b01526}, author = {Mondal, Santigopal and Mukherjee, Subrata and Das, Tamal Kanti and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {43351, title = {Enantioselective synthesis of spiro γ-butyrolactones by N-heterocyclic carbene (NHC)-catalyzed formal [3+2] annulation of enals with 3-hydroxy oxindoles}, journal = {Organic \& Biomolecular Chemistry }, volume = {16}, year = {2017}, month = {FEB}, pages = {2013 - 2019}, abstract = {The N-heterocyclic carbene (NHC)-catalyzed enantioselective formal [3 + 2] annulation of α,β-unsaturated aldehydes with 3-hydroxy oxindoles is presented. Under oxidative conditions using the bisquinone oxidant, the reaction resulted in the synthesis of spiro γ-butyrolactones in moderate to good yields, enantioselectivity and diastereoselectivity. The reaction likely proceeds via the generation of the NHC-bound α,β-unsaturated acylazolium intermediate from enals, which was intercepted by the dioxindoles in a formal [3 + 2] pathway to form the spirocyclic compounds. However, a deeper mechanistic investigation revealed that the reaction can also proceed via the homoenolate intermediate. In this case, the dioxindole was oxidized to the corresponding isatin derivative using traces of air under basic conditions, and was intercepted with the NHC-bound homoenolate intermediate in a formal [3 + 2] pathway to afford the spiro compound.}, doi = {10.1039/C7OB00148G}, author = {Mukherjee, Subrata and Joseph, Sumi and Bhunia, Anup and Gonnade, Rajesh Ghanshyam and Reddy, Santhi Vardhan and Biju, Akkattu T.} } @article {44176, title = {Engineering cell surface glycans with carbohydrate enantiomers to alter bacterial binding and adhesion}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {SEP}, pages = {8865-8869}, type = {Article}, abstract = {
Chirality of carbohydrate has critical functions in many biological processes. Changes in the configuration of even one sugar molecules may cause abnormal behavior or even inhibit specific processes. Herein, we have shown bioorthogonal conjugation of mannose enantiomers on HeLa cell surfaces induced a different rate of bacterial binding and cell adhesion.
}, keywords = {Bioorthogonal reaction, Carbohydrate, E. coli, Enantiomer, Surfaces functionalization}, issn = {2365-6549}, doi = {10.1002/slct.201701875}, author = {Gade, Madhuri and Chaudhary, Preeti Madhukar and Thulasiram, Hirekodathakallu V. and Kikkeri, Raghavendra} } @article {45713, title = {Engineering molecular topology: A pseudopeptidic macrocyclic figure-eight motif}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {FEB }, pages = {1120-1124}, type = {Article}, abstract = {
We herein present a rational-design strategy for the synthesis of molecules with figure-eight topology. The design concept is based on the incorporation of turn units in the back-bone of the macrocycle. The molecular structures and the folding are studied by X-ray crystallography and NMR, FT-IR, and CD spectroscopy.
}, keywords = {Macrocycles, noncovalent interactions, Pi interactions, topology, X-ray diffraction}, issn = {1434-193X}, doi = {10.1002/ejoc.201601365}, author = {Sharma, Sakshi and Thorat, Shridhar H. and Gonnade, Rajesh G. and Jasinski, Jerry P. and Butcher, Ray and Haridas, V.} } @article {45714, title = {Enhanced field emission characteristics of a 3D hierarchical Hfo2-Zno heteroarchitecture}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {MAR}, pages = {2305-2310}, type = {Article}, abstract = {
Three dimensional (3D) HfO2-ZnO heteroarchitecture comprised of thin coating of HfO2 on self assembled 3D ZnO urchins with pointed apex has been synthesized using hydrothermal route followed by Pulsed Laser Deposition (PLD). The as-synthesized HfO2-ZnO heteroarchitecture was characterized using XRD, SEM, EDS, and (HR) TEM, in order to reveal its structural, morphological, and chemical properties. The HfO2-ZnO heteroarchitecture emitter exhibits superior field emission (FE) behaviour in contrast to the pristine ZnO urchins, demonstrated by delivery of high emission current density of similar to 885 mA/cm2 at an applied field of similar to 3.35 V/mm, against similar to 383 mA/cm(2) at an applied field of similar to 4.32 V/mu m for the pristine ZnO urchins emitter. Interestingly, the HfO2-ZnO heteroarchitecture emitter exhibits excellent emission current stability characterized with fewer fluctuations, owing to very good ion-bombardment resistance offered by the HfO2 coating. Furthermore, the heteroarchitecture thus obtained facilitates tailoring of the morphology with high aspect ratio and modulation of electronic properties as well, thereby enhancing the FE behaviour. Despite HfO2 being wide band gap and high-k material, the HfO2-ZnO heteroarchitecture exhibits potential as promising candidate for fabrication of high current density cold cathode
}, keywords = {3D heteroarchitecture, Field Emission (FE), hydrothermal, PLD, TEM}, issn = {2365-6549}, doi = {10.1002/slct.201601723}, author = {Shisode, Raju T. and Suryawanshi, Sachin R. and Mistari, Chetan D. and Late, Dattatray J. and More, Mahendra A.} } @article {44126, title = {Enhanced field emission performance of MoO3 nanorods and MoO3-rGO nanocomposite}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {NOV}, pages = {10912-10917}, type = {Article}, abstract = {
The graphene and semiconducting hybrid based nanostructures have emerged as a new class of multifunctional materials with improved performance in comparison to the pristine semiconductors. Here, as-synthesized MoO3-reduced graphene oxide (rGO) nanocomposite emitter exhibits enhanced field emission (FE) behavior as compared to the pristine 1D MoO3 nanorods. The hydrothermally synthesized 1D MoO3 nanorods (1D) are grafted on the rGO sheet (2D) using a simple room temperature sonochemical method. The morphological and structural analysis confirms the attachment of MoO3 nanorods with rGO and the improved conductivity of the sample indicates a strong electronic interaction between them. Furthermore, the FE studies of as-synthesized MoO3 nanorods and MoO3-rGO nanocomposite emitters, carried out at a base pressure -1 x 10(-8) mbar, reveals the values of turn on field (required to draw an emission current density of 1 mu A/cm(2)) as 1.6 and 1.4 V/mu m, respectively. Interestingly, the maximum emission current density of 2810 mA/cm(2) is achieved at a lower applied field of 2.7 V/mu m from the MoO3-rGO nanocomposite emitter. The enhancement in FE performance of MoO3-rGO nanocomposite is attributed to the improved electrical conductivity, mechanical properties and higher concentration of protruding edges (emission sites). This observation can be extended to other graphene-based 1D inorganic hybrid semiconductor nanocomposites, which can provide a valuable opportunity to explore novel hybrid materials for vacuum nano-electronic devices.
}, doi = {10.1002/slct.201701914}, author = {Bankar, Prashant K. and Khandare, Lina N. and Late, Dattatray J. and More, Mahendra A.} } @article {43785, title = {Enhanced field emission performance of NiMoO4 nanosheets by tuning the phase}, journal = {Applied Surface Science}, volume = {418}, year = {2017}, month = {OCT}, pages = {270-274 }, type = {Article}, abstract = {In this paper we report, large scale synthesis of a and beta-NiMoO4 by a facile hydrothermal method and we observed that urea plays important role on the growth of beta-NiMoO4 nanosheets. We have also carried out field emission (FE) investigations of alpha and beta-NiMoO4 at a base pressure of similar to 1 x 10(-8) mbar. The obtained turn-on field at emission current density of 1 mu A/cm(2) for beta-NiMoO4 nanosheets and alpha-NiMoO4 is 1.3V/mu m and 2.2V/mu m respectively were observed. The maximum field emission current density of 1.006 mA/cm(2) at an applied electric field of 2.7V/mu m was achieved for beta-NiMoO4 nanosheets. Furthermore, we found that the beta-NiMoO4 nanosheets possess good field emission performance compared to alpha-NiMoO4. The results indicate that NiMoO4 can be used as a promising material in FE applications with possibility of tuning field emission performance by controlling the phase. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apsusc.2017.02.177}, author = {Bankar, Prashant K. and Ratha, Satyajit and More, Mahendra A. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {43980, title = {Enhanced field emission performance of NiMoO4 nanosheets by tuning the phase}, journal = {Applied Surface Science}, volume = {418}, year = {2017}, month = {OCT}, pages = {270-274}, type = {Journal Article}, abstract = {In this paper we report, large scale synthesis of α and β-NiMoO4 by a facile hydrothermal method and we observed that urea plays important role on the growth of β-NiMoO4 nanosheets. We have also carried out field emission (FE) investigations of α and β-NiMoO4 at a base pressure of \~{}1 {\texttimes} 10-8 mbar. The obtained turn-on field at emission current density of 1 μA/cm2 for β-NiMoO4 nanosheets and α -NiMoO4 is 1.3 V/μm and 2.2 V/μm respectively were observed. The maximum field emission current density of 1.006 mA/cm2at an applied electric field of 2.7 V/μm was achieved for β-NiMoO4 nanosheets. Furthermore, we found that the β-NiMoO4 nanosheets possess good field emission performance compared to α-NiMoO4. The results indicate that NiMoO4can be used as a promising material in FE applications with possibility of tuning field emission performance by controlling the phase.}, keywords = {Current stability, field emission, nanosheets, NiMoO4}, doi = { 10.1016/j.apsusc.2017.02.177}, author = {Bankar, P. K.}, editor = {Ratha, S.} } @article {43846, title = {Enhanced proton conduction by post-synthetic covalent modification in a porous covalent framework}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {JUL}, pages = {13659-13664}, type = {Article}, abstract = {A highly chemically stable porous covalent framework (PCF-1) based on ether linkages has been synthesized, which exhibits no loss up to similar to 500 degrees C along with retention of integrity under acidic, basic and oxidative reagent conditions. Owing to its thermal and chemical stability, post-synthetic covalent modification was executed for the introduction of pendant sulphonic acid (-SO3H) groups. The covalently modified compound (PCF-1-SO3H) presents a remarkably high conductivity (ca. 0.026 S cm(-1)), with an similar to 130 fold enhancement in proton conductivity over the parent compound. This value is comparable with those of commercially used Nafion-based proton conducting materials and stands as the highest known value in the regime of post-synthetically modified porous organic frameworks. It is noteworthy to mention that PCF-1 is stable in both acidic and alkaline media, which is not commonly observed for most of the porous materials trialed as proton conducting materials, including metal organic frameworks.}, doi = {10.1039/c7ta00964j}, author = {Samanta, Partha and Desai, Aamod V. and Anothumakkool, Bihag and Shirolkar, Mandar M. and Karmakar, Avishek and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article {45724, title = {Environmentally benign bioderived carbon microspheres-supported molybdena nanoparticles as catalyst for the epoxidation reaction}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {5}, year = {2017}, month = {JAN}, pages = {904-910}, type = {Article}, abstract = {
A one pot synthesis of molybdenum oxide nanoparticles (NPs supported on bioderived carbon microspheres is reported. The catalyst was synthesized by the low temperature hydrothermal (LTH) method using D-glucose and bagasse as the carbon source. The carbonization of bagasse resulted in the formation of nonuniform carbon microspheres while glucose resulted in uniform carbon spheres. SEM and STEM elemental mapping show the uniform distribution of molybdenum oxide NPs over the carbon microspheres. XPS spectroscopy confirmed that molybdenum was in the Mo6+ oxidation state. The 1\% MoO3 supported on carbon microspheres derived from D-glucose showed excellent catalytic activity up to 100\% olefin conversion with 100\% epoxide selectivity using organic tent-butyl hydroperoxide as an oxidant. The catalyst was successfully used for up to five cycles without losing substantial activity and selectivity.
}, keywords = {Carbon microspheres, epoxidation, heterogeneous catalysis, Hydrothermal synthesis, TBHP}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.6b02229}, author = {Doke, Dhananjay S. and Umbarkar, Shubhangi B. and Gawande, Manoj B. and Zbori, Radek and Biradar, Ankush V.} } @article {43915, title = {Epalrestat-cytosine cocrystal and salt structures: attempt to control E,Z -> Z,Z isomerization}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {MAY}, pages = {3350{\textendash}3360}, type = {Article}, abstract = {Cocrystallization of the anti-diabetic drug Eparlestat (EPR) with cytosine (CYT) gave EPR--CYT-H+ form I, a salt-cocrystal hybrid structure, salt hydrate (EPR--CYT-H+-H2O, 1:2:1), and non-stoichiometric solvates of EPR--CYT-H+ with EtOH/n-PrOH included in the rhombohedral symmetry voids, referred to as form II. Desolvation of EPR--CYT-H+ form II solvates resulted in an unsolvated form II of EPR--CYT-H+ which was characterized by DSC, TGA and NMR. The carboxylate{\textbullet}{\textbullet}{\textbullet}cytosinium synthon was observed in the salts structure along with the uncommon CYT-H+{\textbullet}{\textbullet}{\textbullet}H+-CYT base pairing in the structures of salt-cocrystal hybrid and salt hydrate. The crystalline forms were characterized by spectroscopic (IR, NMR), thermal (DSC, HSM, TGA), powder X-ray diffraction (PXRD) and single crystal X-ray diffraction (SC-XRD) techniques. The intent of using the salt/ salt-cocrystal forms as a means to stop the E,Z  Z,Z isomerization of EPR was not successful in photo-irradiation experiments.}, doi = {10.1021/acs.cgd.7b00322}, author = {Nangia, Ashwini Kumar and Battini, Swapna} } @article {45715, title = {Estimating the lipophobic contributions in model membranes}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {MAR }, pages = {2111-2120}, type = {Article}, abstract = {
The insertion and association of membrane proteins is critical in several cellular processes. These processes were thought to be protein-driven, but increasing evidence points toward an important role of the lipid bilayer. The lipid-mediated contribution has been shown to be important in the association of membrane peptides, but the corresponding {\textquoteleft}{\textquoteleft}lipophobic{\textquoteright}{\textquoteright} component has not been directly estimated. Here, we calculate the free energy of insertion for transmembrane peptides and estimate the lipophobic component from the cost of cavity formation. The free-energy calculations were performed using the coarse-grain Martini force field, which has been successful in predicting membrane protein interactions. As expected, the charged moieties have the least favorable free energy of insertion and the highest cost of cavity formation. A length dependence was observed in polyalanine peptides with the lipid-mediated component increasing nonlinearly with peptide length. Membrane fluidity was tested by varying the temperature, and opposing effects were observed for short and long peptides. The dependence of the lipid-mediated effects on peptide length and temperature was not uniform and gives valuable insight into the anisotropic nature of the membrane. The results are an important step in estimating membrane effects in protein insertion and association.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b09863}, author = {Dubey, Vikas and Prasanna, Xavier and Sengupta, Durba} } @article {44021, title = {Estimation of gas induction in jet loop reactors: influence of nozzle designs}, journal = {Chemical Engineering Research and Design}, volume = {125}, year = {2017}, month = {JUN}, pages = {24-34}, type = {Journal Article}, abstract = {
Jet loop reactors are used widely for conducting gas liquid reactions because of the high mass transfer achieved in the gas{\textendash}liquid ejector. Studies have shown that the mass transfer has a very strong correlation to the amount of gas induced in the ejector, and hence it is important to understand gas induction to enhance the performance of any gas{\textendash}liquid nozzle. In this work, we used a single phase CFD model of the ejector with one adjustable parameter for estimating gas induction rates. After establishing that the model adequately describes the experimental data, the model was used for a quick evaluation of ejector geometries. Influence of key geometric parameters of gas{\textendash}liquid ejectors like nozzle diameter, mixing tube length, distance between the nozzle outlet and mixing tube, suction chamber geometry and diffuser angle was investigated. It was found that dependence of gas induction on geometric parameters like distance between nozzle{\textemdash}mixing tube, suction chamber geometry, diffuser angle was either weak or had a clear maxima at or beyond a certain value of the geometric parameter. Other parameters like mixing tube length and nozzle diameter have a more complex impact on gas induction. The presented approach and results will be useful for quantifying influence of nozzle designs on gas induction rate in jet loop reactors.
}, keywords = {CFD, Gas Induction, Jet Loop Reactors, Nozzle Geometry}, doi = {10.1016/j.cherd.2017.06.027}, author = {Sharma, D.V.}, editor = {Patwardhan, A.W.} } @article {44040, title = {Evaluating a new high-throughput twin-arginine translocase assay in bacteria for therapeutic applications}, journal = {Current Microbiology}, year = {2017}, month = {AUG}, pages = {1-15}, type = {Article in Press}, abstract = {The twin-arginine translocase (Tat) pathway is involved in the transport of folded proteins in bacteria, and has been implicated in virulence and pathogenesis. A simple but efficient assay based on the quantification of the exopolysaccharide colanic acid was developed as a new means to study Tat function. Colanic acid contains a methylpentose (l-fucose) component, and its production is directly linked to the Tat pathway through the transport of enzymes involved in polysaccharide biosynthesis. Monitoring of l-fucose levels can be applied for identification of new Tat substrates and high-throughput screening of Tat inhibitors for therapeutic applications.}, doi = { 10.1007/s00284-017-1321-z}, author = {Ghosh, D.}, editor = {Chougule, S.} } @article {43961, title = {Examination into the taxonomic position of Bacillus thermotolerans Yang et al., 2013, proposal for its reclassification into a new genus and species Quasibacillus thermotolerans gen. nov., comb. nov. and reclassification of B. encimensis Dastager et al., }, journal = {Systematic and Applied Microbiology}, year = {2017}, month = {SEP}, type = {Article}, abstract = {Two novel Gram-staining positive, rod-shaped, moderately halotolerant, endospore forming bacterial strains 5.5LF 38TD and 5.5LF 48TD were isolated and taxonomically characterized from a landfill in Chandigarh, India. The analysis of 16S rRNA gene sequences of the strains confirmed their closest identity to Bacillus thermotolerans SgZ-8T with 99.9\% sequence similarity. A comparative phylogenetic analysis of strains 5.5LF 38TD, 5.5LF 48TD and B. thermotolerans SgZ-8(T) confirmed their separation into a novel genus with B. badius and genus Domibacillus as the closest phylogenetic relatives. The major fatty acids of the strains are iso-C15:0 and iso-C16:0 and MK-7 is the only quinone. The major polar lipids are diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine. The digital DNA-DNA hybridization (DDH) and ortho average nucleotide identity (ANI) values calculated through whole genome sequences indicated that the three strains showed low relatedness with their phylogenetic neighbours. Based on evidences from phylogenomic analyses and polyphasic taxonomic characterization we propose reclassification of the species B. thermotolerans into a novel genus named Quasibacillus thermotolerans gen. nov., comb. nov with the type strain SgZ-8(T) (=CCTCC AB2012108(T)=KACC 16706(T)). Further our analyses also revealed that B. encimensis SGD-V-25(T) is a later heterotypic synonym of Bacillus badius DSM 23(T).}, doi = {10.1016/j.syapm.2017.07.010}, author = {Verma, Ashish and Pal, Yash and Khatri, Indu and Ojha, Anup Kumar and Gruber-Vodicka, Harald and Schumann, Peter and Dastager, Syed Gulam and Subramanian, Srikrishna and Mayilraj, Shanmugam and Krishnamurthi, Srinivasan} } @article {43568, title = {Expeditious and solvent-free nickel-catalyzed C-H arylation of arenes and indoles}, journal = {ChemSusChem}, volume = {10}, year = {2017}, month = {APR}, pages = {2242-2248}, type = {Article}, abstract = {An efficient solvent-free nickel-catalyzed method for C-H bond arylation of arenes and indoles has been developed, which proceeds expeditiously through chelation assistance. The reaction is highly selective for mono-arylation and tolerates sensitive and structurally diverse functionalities, such as halides, ethers, amines, indole, pyrrole and carbazole. This reaction represents the first example of a nickel-catalyzed C-H arylation by monochelate assistance and symbolizes a rare precedent in solvent-free C-H arylation. Mechanistic investigations by various controlled reactions, kinetic studies, and deuterium labeling experiments suggest that the arylation follows a single electron transfer (SET) pathway involving the turnover-limiting C-H nickelation process.}, doi = {10.1002/cssc.201700321}, author = {Jagtap, Rahul A. and Soni, Vineeta and Punji, Benudhar} } @article {45816, title = {Experimental study and Ab-initio calculations on the molecular structure, infrared and Raman spectral properties of dinitroimidazoles}, journal = {Chemical Data Collections}, volume = {9-10}, year = {2017}, month = {AUG}, pages = {11-23}, type = {Article}, abstract = {The structural and vibrational properties of 1,4-dinitroimidazole, 2,4-dinitroimidazole and 1-methyl-2,4-dinitroimidazole have been explored both experimentally and theoretically. The N1-N6, C2-NO2, C4-NO2, N1-CH3 lengths were found to be varied with the levels of theory and the calculated values were over estimated compared with those of experimental values. The experimental vibrational frequencies were compared with those values calculated at the HF/6{\textendash}311 ++G(d,p), B3P86/6{\textendash}311 ++G(d,p), B3LYP/6{\textendash}311 ++G(d,p) and B3LYP/aug-cc-pVDZ levels. The calculated frequencies were in good agreement with the experimental values and the relative mean deviations between the measured and calculated vibrational frequencies were smaller than 1\% for all molecules. The discrepancies in the bond lengths bond angles and harmonic frequencies are confined to the relative positions of NO2 groups that present a great deviation from the planarity of the molecule. Nevertheless the structural parameters and harmonic vibrational frequencies of nitroimidazoles calculated at the B3LYP/aug-cc-pVDZ level are superior compared with those values computed from other levels of calculation. }, issn = {24058300}, doi = { 10.1016/j.cdc.2017.01.005}, author = {Ravi, P.} } @article {43317, title = {Exploiting directional long range secondary forces for regulating electrostatics dominated noncovalent interactions}, journal = {Chemical Science}, volume = {8}, year = {2017}, month = {JAN}, pages = {1378-1390}, abstract = {
It has been well established that long range secondary electrostatic interactions (SEIs) have a significant effect on the stability of supramolecular complexes. However, general rules for exploiting SEIs in the rational design of diverse supramolecular complexes have been difficult to obtain. In this work, we outline a quantum chemical approach for understanding the strength of electrostatic interactions. This approach is seen to provide excellent correlation between the electrostatic force and the binding energy between two partners in hydrogen-bonded complexes, as well as that between two ions in ion-pair complexes. Furthermore, we illustrate how the understanding of the binding allows for the rational design of new complexes where the association constant between the two partners can be increased or decreased, as desired, by several orders of magnitude. Hence, the current work showcases a general, simple and powerful method of understanding and exploiting long range secondary electrostatic interactions.
}, doi = {10.1039/C6SC03642B}, author = {Tiwari, Mrityunjay and Vanka, Kumar} } @article {45706, title = {Exploiting phosphate-starved cells of scenedesmus SP for the treatment of raw sewage}, journal = {Indian Journal of Microbiology}, volume = {57}, year = {2017}, month = {JUN}, pages = {241-249}, type = {Article}, abstract = {
Phosphate depletion is one of the favorable ways to enhance the sewage water treatment with the algae, however, detailed information is essential with respect to internal phosphate concentration and physiology of the algae. The growth rate of the phosphate-starved Scenedesmus cells was reduced drastically after 48 h. Indicating cells entered in the stationary phase of the growth cycle. Fourier Transform Infrared analysis of phosphate-starved Scenedesmus cells showed the reduction in internal phosphate concentration and an increase in carbohydrate/phosphate and carbohydrate/lipid ratio. The phosphate-starved Scenedesmus cells, with an initial cell density of, 1 x 10(6) cells mL(-1) shows 87\% phosphate and 100 \% nitrogen removal in 24 h. The normal Scenedesmus cells need approximately 48 h to trim down the nutrients from wastewater up to this extent. Other microalgae, Ankistrodesmus, growth pattern was not affected due to phosphate starvation. The cells of Ankistrodesmus was able to reduce 71\% phosphate and 73\% nitrogen within 24 h, with an initial cell density of, 1 x 10(6) cells mL(-1).
}, keywords = {Ankistrodesmus, Fourier Transform Infrared, Phosphate starvation, Scenedesmus, Sewage treatment}, issn = {0046-8991}, doi = {10.1007/s12088-016-0626-0}, author = {Yewalkar-Kulkarni, Swati and Gera, Gayatri and Nene, Sanjay and Pandare, Kiran and Kulkarni, Bhaskar and Kamble, Sanjay} } @article {43842, title = {Exploiting the dual role of ethynylbenziodoxolones in gold-catalyzed C(sp)-C(sp) cross-coupling reactions}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUL}, pages = {7937-7940}, type = {Article}, abstract = {Reported herein is the gold-catalyzed alkynylation of terminal alkynes using ethynylbenziodoxolones (EBXs), where EBXs serve a dual role as oxidants as well as alkyne transfer agents to access unsymmetrical 1,3-diynes. Hence, the catalytic system requires no external oxidants and is compatible with a broad range of substrates, including those with polar functional groups such as NH, OHand B(OH)(2).}, doi = {10.1039/c7cc04283c}, author = {Banerjee, Somsuvra and Patil, Nitin T.} } @article {45731, title = {Exploration of amination reactions on highly extendable active sites of Pd(II)-3-allylsalicylaldiminophenol (ASIP) complex over thiofunctionalized SBA-15}, journal = {Microporous and Mesoporous Materials}, volume = {242}, year = {2017}, month = {APR}, pages = {173-181}, type = {Article}, abstract = {
An effective and impressive heterogeneous catalyst, Pd(II)-3-allylsalicylaldiminophenol-SBA-15, dubbed as Pd(II)ASIP@SBA-15, for amination reactions of aryl halides to synthesize secondary amines (2), has been synthesized and characterized. Pd(II)ASIP@SBA-15 has been synthesized by the covalent anchoring of 3-allylsalicylaldehyde over thiofunctionalized SBA-15, then further reaction with 2-aminophenol, followed by metallation process by using Pd(11)(OAc)(2). A specifically designed cheap and easily available organic ligand, 3-allylsalicylaldiminophenol (ASIP), was synthesized from 3-allylsalicylaldehyde and 2-aminophenol. Using this, the synthesis of Pd(II)ASIP@SBA-15 was carried out whereby the ligand providing an active co-ordination or chelating sites for palladium metal. This strategy helped in exposing the Pd(11)ASIP active sites from surface to channels of SBA-15 support during the reactions. The synthesized catalyst were characterized by CHN analysis, PXRD, Nitrogen sorption analyses, TG \& DTA, FTIR, C-13 and Si-29 CPMASS NMR spectra, XPS, UV-Visible, SEM, EDAX and TEM. Pd(II)ASIP@SBA-15 catalyst was screened in heterogeneous amination reactions of aryl halides to produce N-aryl derivatives or secondary amines with high catalytic activity as revealed by turn over frequency (TOF) calculations. To explore the heterogeneous nature of catalysts, amination reactions were carried with neat Pd(II)ASIP complex and Pd(11)(OAc)(2) catalysts. The catalyst was recycled several times without much loss of activity and Sheldon hot filtration test has been performed. (C) 2017 Elsevier Inc. All rights reserved.
}, keywords = {Amination Reactions, heterogeneous catalysis, Reusable, Supported catalysis}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2017.01.026}, author = {Lazar, Anish and Vinod, C. P. and Singh, A. P.} } @article {43886, title = {Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [(VO)-O-IV(beta-diketonate)2] with 2-aminobenzoyl-hydrazide in aerobic and anaerobic conditions}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {SEP}, type = {Article}, abstract = {
Refluxing [(VO)-O-IV(beta-diketonate)(2)], namely [(VO)-O-IV(acetylacetonate)(2)] and [(VO)-O-IV(benzoylacetonate)(2)], separately with an equivalent or excess amount of 2-aminobenzoylhydrazide (ah) in laboratory grade (LG) CH3OH in aerobic conditions afforded non-oxidovanadium(IV) and oxidovanadium(V) complexes of the type [V-IV(L-1)(2)] (1), [(VO)-O-V(L-1)(OCH3)](2) (3) and [V-IV(L-2)(2)] (2), and [(VO)-O-V(L-2)(OCH3)] (4), respectively. (L-1)(2-) and (L-2)(2-) represent the dianionic forms of 2-aminobenzoylhydrazone of acetylacetone (H2L1) and benzoylacetone (H2L2), respectively, (general abbreviation, H2L), which was formed by the in situ condensation of ah with the respective coordinated [beta-diketonate] in medium-to-good yield. The yield of different resulting products was dependent upon the ratio of ah to [(VO)-O-IV(beta-diketonate)(2)]. For example, the yield of 1 and 2 complexes increased significantly associated with a decrease in the amount of 3 and 4 with an increase in the molar ratio of ah. Upon replacing CH3OH by a non-hydroxylic solvent, LG CHCl3, the above reaction yielded only oxidovanadium(V) complexes of the type [(VO)-O-V(L-1)(OH)](2) (5), [(VO)-O-V(L-2)(OH)] (6) and [(V2O3)-O-V(L)(2)] (7, 8) whereas, upon replacing CHCl3 by another non-hydroxylic solvent, namely LG CH3CN, only the respective [(V2O3)-O-V(L)(2)] (7, 8) complex was isolated in 72-78\% yield. However, upon performing the above reactions in the absence of air using dry CH3OH or dry CHCl3, only the respective [V-IV(L)(2)] complex was obtained, suggesting that aerial oxygen was the oxidising agent and the type of pentavalent product formed was dependent upon the nature of solvent used. Complexes 3 and 4 were converted, respectively, to 7 and 8 on refluxing in LG CHCl3 via the respective unstable complex 5 and 6. The DFT calculated change in internal energy (Delta E) for the reactions 2[(VO)-O-V(L-2)(OCH3)] + 2H(2)O -\> 2[(VO)-O-V(L-2)(OH)] + 2CH(3)OH and 2[(VO)-O-V (L-2)(OH)] -\> [(V2O3)-O-V(L-2)(2)] + H2O was, respectively, +3.61 and -7.42 kcal mol(-1), suggesting that the [(VO)-O-V(L-2) (OH)] species was unstable and readily transformed to the stable [(V2O3)-O-V(L-2)(2)] complex. Upon one-electron reduction at an appropriate potential, each of 7 and 8 generated mixed-valence [(L) (VO)-O-V-(mu-O)-OVIV(L)]species, which showed valence-delocalisation at room temperature and localisation at 77 K. Some of the complexes showed a wide range of toxicity in a dose-dependent manner against lung cancer cells comparable with that observed with cis-platin.
}, keywords = {Effective Core Potentials, Lung-cancer cells, Molecular-Orbital Methods, Non-oxido vanadium(iv), Non-Oxo, Oxovanadium(iv) Complexes, Tridentate ono ligand; Ray crystal-structure, Trigonal-prismatic Co-ordination, V-IV complex}, issn = {1477-9226}, doi = {10.1039/c7dt01776f}, author = {Biswas, Nirmalendu and Patra, Debashis and Mondal, Bipul and Bera, Sachinath and Acharyya, Swarnali and Biswas, Anup Kumar and Mukhopadhyay, Titas Kumar and Pal, Amrita and Drew, Michael G. B. and Ghosh, Tapas} } @article {43993, title = {Exploring the gem-dimethyl effect in the formation of imine-based macrocycles and cages}, journal = {New Journal of Chemistry}, volume = {17}, year = {2017}, month = {JUL}, pages = {8721-8724 }, type = {Article}, abstract = {Using the gem-dimethyl effect as a platform, a variety of organic [2+2] macrocycles and [2+3] cofacial cages was obtained in high yields. Imine-based macrocyclization could be performed even at high concentrations (0.5 to 1.0 M), via instant mixing of aldehydes and amines.}, doi = {10.1039/C7NJ02069D}, author = {Madhu, Suresh and Rashmi, E. V. and Gonnade, Rajesh Ghanshyam and Sanjayan, Gangadhar J.} } @article {43837, title = {Exploring the influence of shapes and heterogeneity of glyco-gold nanoparticles on bacterial binding for preventing infections}, journal = {Chemmedchem}, volume = {12}, year = {2017}, month = {JUL}, pages = {1116-1124}, type = {Article}, abstract = {To investigate the effects of the heterogeneity and shape of glyco-nanoprobes on carbohydrate-protein interactions (CPIs), alpha-d-mannose-and beta-d-galactose-linked homo-and heterogeneous glycodendrons were synthesized and immobilized on spherical and rod-shaped gold nanoparticles (AuNPs). Lectin and bacterial binding studies of these glyco-AuNPs clearly illustrate that multivalency and shape of AuNPs contribute significantly to CPIs than the heterogeneity of glycodendrons. Finally, bacterial infection of HeLa cells was effectively inhibited by the homogeneous glycodendron-conjugated rod-shaped AuNPs relative to their heterogeneous counterparts. Overall, these results provide insight into the role of AuNP shape and multivalency as potential factors to regulate CPIs.}, doi = {10.1002/cmdc.201700218}, author = {Toraskar, Suraj and Gade, Madhuri and Sangabathuni, Sivakoti and Thulasiram, Hirekodathakallu V. and Kikkeri, Raghavendra} } @article {44119, title = {Exploring the role of GS-GOGAT cycle in microcystin synthesis and regulation - a model based analysis}, journal = {Molecular Biosystems}, volume = {13}, year = {2017}, month = {DEC}, pages = {2603-2614}, type = {Article}, abstract = {Toxic cyanobacteria blooms populate water bodies by consuming external nutrients and releasing cyanotoxins that are detrimental for other aquatic species, producing a significant impact on the plankton ecosystem and food web. To exercise population-level control of toxin production, understanding the biochemical mechanisms that explain cyanotoxin regulation within a bacterial cell is of utmost importance. In this study, we explore the mechanistic events to investigate the dependence of toxin microcystin on external nitrogen, a known regulator of the toxin, and for the first time, propose a kinetic model that analyzes the intracellular conditions required to ensure nitrogen dependence on microcystin. We hypothesize that the GS-GOGAT cycle is manipulated by variable influx of different intracellular metabolites that can either disturb or promote the balance between the enzyme microcystin synthetase and substrate glutamate to produce variable microcystin levels. As opposed to the popular notion that nitrogen starvation increases microcystin synthesis, our analyses suggest that under certain intracellular metabolite regimes, this relationship can either be completely lost or reversed. External nitrogen can only complement the conditions fixed by intracellular glutamate, glutamine and 2-oxoglutarate. This mechanistic understanding can provide an experimentally testable hypothesis for exploring the less-known biology of microcystin synthesis and designing specific interventions.}, doi = {10.1039/c7mb00342k}, author = {Banerjee, Swarnendu and Subramanian, Abhishek and Chattopadhyay, Joydev and Sarkar, Ram Rup} } @article {45698, title = {Extraction of the very high tunneling current and extremely stable emission current from GdB6/W-tip source synthesized using arc plasma}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {JAN}, pages = {562-566}, type = {Article}, abstract = {
Herein, we report the one step arc plasma synthesis of the GdB6 (Gadolinium hexaboride) nanoparticles and its field emission (FE) characteristics on tungsten point substrate (GdB6/ W). The SEM /TEM analysis revealed the GdB6 nanoparticles on W point substrate exhibit irregular shaped, grainy, dense, course morphology, i.e. uniformly covering the entire tip substrate surface. For GdB6/W point source, the values of the turn-on and threshold fields, defined as field required to draw an emission current density similar to 1 mA/cm(2) and similar to 100 mA/cm(2), respectively are found to be similar to 2.2 and similar to 2.7 V/mm, for anodecathode separation of similar to 1 mm. Interestingly, a very high emission current density of similar to 3.5 A/cm(2) has been drawn from the GdB6/W point emitter at relatively lower applied field of similar to 6.4 V/mm. The field enhancement factor found to be similar to 10,250. The GdB6/W point electron source exhibits a good emission current stability at similar to 10 mA for a period of 6 hr. The emission current stability is enumerated in terms of standard deviation and its magnitude has been measured to be only 1.72\% with respect to the average value. The superlative field emission characteristics signify the GdB6/W point electron source as potential candidates for vacuum micro/nanoelectronics device applications.
}, keywords = {Arc Plasma, field emission, Thin films}, issn = {2365-6549}, doi = {10.1002/slct.201601587}, author = {Suryawanshi, Sachin R. and Kanhe, Nilesh and Mathe, Vikas L. and Phase, Deodatta M. and Late, Dattatray J. and More, Mahendra A.} } @article {43970, title = {Fabrication, characterization and comparison of DSSC using anatase TiO 2 synthesized by various methods}, journal = {Advanced Powder Technology}, year = {2017}, month = {SEP}, type = {Article}, abstract = {In this study, anatase TiO2 nanoparticles were synthesized by three techniques, namely, sol-gel, acid-base co-catalyst and room temperature colloidal methods. The synthesized materials were characterized by X-ray diffraction, scanning electron microscopy, pore diameter, pore volume and surface area. The dye-sensitized solar cells were fabricated using the synthesized materials and characterized for incident photon to current conversion efficiency, photocurrent density to photo voltage measurement and electrochemical impedance analysis. Among the studied materials, TiO2 synthesized by sol-gel method displayed highest photon to current conversion of 76.8\% and a maximum solar cell efficiency of 7.85\% with Jsc of 14.75mA/cm{\texttwosuperior}, Voc of 0.76V and FF of 0.7. This is the first study to report a high power conversion efficiency of DSSC using a sol-gel synthesized titania and its comparison with other two synthesized materials. The high power conversion efficiency of the solar cell using TiO2 synthesized by sol-gel method is attributed to its characteristic properties such high surface area, larger pore diameter and larger pore volume and highest dye loading capacity.}, doi = {10.1016/j.apt.2017.08.012}, author = {Umale, Sanjivani V. and Tambat, Sneha N. and Vediappan, Sudhakar and Sontakke, Sharad M. and Krishnamoorthy, Kothandam} } @article {44177, title = {Facile one-pot multi-component synthesis of spirooxindoles and 3, 3 {\textquoteleft}-disubstituted oxindoles via sp(3) C-H activation/functionalization of azaarenes}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {SEP}, pages = {9147-9152}, type = {Article}, abstract = {
A novel one-pot multicomponent reaction (MCR) protocol has been demonstrated for the first time for sustainable and facile synthesis of spirooxindoles and 3, 3 {\textquoteleft}-disubstituted oxindoles in an excellent yield via sp(3) C-H activation/functionalization of 2-methyl azaarenes and (2-azaaryl)methanes with isatin, active methylene compounds using eco-friendly heterogeneous, reusable silica-supported dodecatungstophosphoric acid (DTP/SiO2) catalyst.
}, keywords = {3, 3{\textquoteright}-disubstituted oxindoles, azaarenes, silica-supported dodecatungstophosphoric acid (DTP/SiO2) catalyst, sp(3) C-H activation/functionalization, spirooxindoles}, issn = {2365-6549}, doi = {10.1002/slct.201701507}, author = {Pathan, Mohsinkhan Y. and Chavan, Santosh S. and Shaikh, Taufeekaslam M. Y. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Mulla, Shafeek A. R.} } @article {43487, title = {Facile one-pot synthesis of aliphatic bridged diaryloxy compounds, cyclic and crown ethers under mild conditions}, journal = {Supramolecular Chemistry}, volume = {29}, year = {2017}, month = {JAN}, pages = {462-470}, abstract = {We report here the facile, room temperature, catalyst free, one pot synthesis of aliphatic bridged diaryloxy compounds, cyclic and crown ethers. Anhydrous potassium carbonate (K2CO3) as a mild base along with dimethyl sulfoxide generates the phenoxide ion which facilitates the nucleophilic substitution of bromoalkanes to yield the corresponding crown ethers.}, doi = {10.1080/10610278.2016.1267858}, author = {Sakate, Sachin and Kamble, Sumit and Chikate, Rajiv and Rode, Chandrashekhar} } @article {44015, title = {Facile synthesis and electrochemical evaluation of PANI/CNT/MoS2 ternary composite as an electrode material for high performance supercapacitor}, journal = {Materials Science and Engineering B: Solid-State Materials for Advanced Technology}, volume = {23}, year = {2017}, month = {SEP}, pages = { 24-34}, type = {Journal Article}, abstract = {Synthesis of a novel ternary composite consisting of polyaniline (PANI), functionalized multi-walled carbon nanotubes (CNTs) and molybdenum disulfide (MoS2), via an in-situ polymerization method is reported. Detailed structural and electrochemical characterization shows that incorporation of a small amount of MoS2 in PANI/CNT composite tends to eliminate agglomeration problem of CNT. The PANI/CNT/MoS2 ternary composite reaches a specific capacitance of 350 F/g at the current density 1 A/g corresponding to a 5\% MoS2 content. This ternary composite shows good cycling stability even at a higher energy density of 10 A/g. Further, PANI/CNT/MoS2 composite electrode shows higher energy density (7.77 Wh/kg) and power density (2140 W/kg) as compared to PANI/CNT composite without MoS2.}, keywords = {MoS2, polyaniline, supercapacitor, Ternary Composite}, doi = {10.1016/j.mseb.2017.05.001}, author = {Thakur, A.K. and Deshmukh, A. B. and Choudhary, R. B. and Karbhal, I. and Majumder, M. and Shelke, M.V.} } @article {43849, title = {Facile synthesis and self-cleaning application of bimetallic (CuSn, CuNi) dendrites}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {JUL}, pages = {5552-5563}, type = {Article}, abstract = {
Bimetallic dendrites (Au, Ag, Pt, Pd) have received intense research interest due to their applications in catalysis and sensing. However, reports on rational synthesis of non-noble bimetallic dendrites that finds self-cleaning applications are scanty. Here, we demonstrate one step co-reduction based galvanic replacement reaction (GRR) for synthesis of alloyed bimetallic dendrites (CuSn, CuNi) with controlled surface roughness and chemical composition. Probing their growth process reveals that i) for CuSn dendrites, co-reduction of Cu2+ and Sn2+ is observed throughout GRR; ii) for CuNi dendrites, Cu nanoparticle, that deposits initially, augments the reduction of Ni2+ which leads to CuNi alloy phase formation during later stages of GRR. These dendrites, naturally having dual degree of surface roughness (micro/nano), have been exploited here for fabricating superhydrophobic surfaces (SHS) with excellent self-cleaning abilities. They show enabling properties such as high contact angle, minimal contact angle hysteresis, and excellent Cassie state stability with no impalement. They maintain superhydrophobicity when exposed to different environmental conditions (low temperature, high temperature, exposure to corroding solutions and UV radiation). The present facile methodology for fabrication of bimetallic dendrites is beneficial for low-cost production of functional nano/micro-materials.
}, doi = {10.1002/slct.201700763}, author = {Biswas, Anupam and Kulkarni, Mayuresh A. and Bakthavatsalam, Rangarajan and Mondal, Sourik K. and Dwivedi, Pravin K. and Shelke, Manjusha V. and Devi, Radhamonyamma N. and Banpurkar, Arun G. and Kundu, Janardan} } @article {43335, title = {Facile synthesis of 3D anode assembly with Si nanoparticles sealed in highly pure few layer graphene deposited on porous current collector for long life Li-Ion battery}, journal = {Advanced Materials Interfaces}, volume = {4}, year = {2017}, month = {MAR}, pages = {Article Number: 1601043}, type = {Article}, abstract = {With its exceptional theoretical charge capacity, silicon holds great promise as an anode material for realization of high energy density Li-ion batteries. However, extensive volume expansion and poor cycle stability of silicon compromise its actual use. In an effort to tame volume expansion and structural disintegration during cycling, an innovative 3D electrode assembly is fabricated involving continuous layer of graphene coated on porous current collector and Si nanoparticles sealed in as an active material. Graphene deposition and pore formation in metal current collector is achieved in a unique single step synthesis. All the active components like current collector, reacting material, and conducting material are manipulated in a way to produce synergistic architecture in a chemical vapor deposition process. Highly pure graphene deposited in this process enables efficient electron transfer from allover of the surface of silicon nanoparticles and prevents continuous solid electrolyte interphase layer formation. This binder free anode assembly shows extremely stable lithium storage performance for over 1000 cycles with 88\% of initial capacity retention and 100\% Coulombic efficiency.}, doi = {10.1002/admi.201601043}, author = {Shelke, Manjusha V. and Gullapalli, Hemtej and Kalaga, Kaushik and Rodrigues, Marco and Devarapalli, Rami Reddy and Vajtai, Robert and Ajayan, Pulickel M.} } @article {44138, title = {Facile synthesis of Al2O3-Pt nanocomposite and its catalytic activity}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {NOV}, pages = {Article Number: 115002}, type = {Article}, abstract = {Pt nanoparticles were synthesized on gamma-alumina support in presence of oleic acid which was found to prevent clustering of Pt nanoparticles on the support. Various percentage of Pt loading on the alumina changed the catalytic activity for preferential oxidation of CO at relatively low temperature in H-2 rich stream. Pt nanoparticles when synthesized in absence of oleic acid, were all clustered and did not have any catalytic activity. The presence of oleic acid promoted stability preventing agglomeration of Pt nanoparticles. The catalyst thus prepared was characterized thoroughly and their catalytic activity was studied in details.}, doi = {10.1088/2053-1591/aa9441}, author = {Das, Subhasis and Bordoloi, Ankur and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {43353, title = {Facile synthesis of N-acyl 2-aminobenzothiazoles by NHC-catalyzed direct oxidative amidation of aldehydes}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JAN}, pages = {1478 - 1481}, abstract = {A mild, general, and high yielding synthesis of N-acyl 2-aminobenzothiazoles has been demonstrated by N-heterocyclic carbene (NHC)-organocatalyzed direct amidation of aldehydes with 2-aminobenzothiazoles proceeding via acyl azolium intermediates. The carbene generated from the triazolium salt under oxidative conditions was the key for the success of this reaction. The method was subsequently applied to the synthesis of various biologically important N-acyl 2-aminobenzothiazoles.}, doi = {10.1039/C6CC08640C}, author = {Premaletha, Sethulekshmi and Ghosh, Arghya and Joseph, Sumi and Reddy, Santhi Vardhan and Biju, Akkattu T.} } @article {44158, title = {Facile synthesis of unique cellulose triacetate based flexible and high performance gel polymer electrolyte for lithium ion batteries}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {OCT}, pages = {34773-34782}, type = {Article}, abstract = {Lithium ion batteries (LIBs) with polymer based electrolytes have attracted enormous attention due to the possibility of fabricating intrinsically safer and flexible devices. However, economical and eco-friendly sustainable technology is an oncoming challenge to fulfill the ever increasing demand. To circumvent this issue, we have developed a gel polymer electrolyte (GPE) based on renewable polymers like cellulose triacetate and poly (polyethylene glycol methacrylate) p(PEGMA) using a photo polymerization technique. Cellulose triacetate offers good mechanical strength with improved ionic conductivity, owing to its ether and carbonyl functional groups. It is observed that the presence of an open network has a critical impact on lithium ion transport. At room temperature, GPE PC exhibits an optimal ionic conductivity of 1.8 x 10(-3) S cm(-1) and transference number of 0.7. Interestingly, it affords an excellent electrochemical stability window up to 5.0 V vs Li/Li+. GPE PC shows a discharge capacity of 164 mAhg(-1) after the first cycle when evaluated in a Li/GPE/LiFePO4 cell at 0.5 C-rate. Interfacial compatibility of GPE PC with lithium metal improves the overall cycling performance. This system provides a guiding principle toward a future renewable and flexible electrolyte design for flexible LIBs (FLIBs).}, doi = {10.1021/acsami.7b07020}, author = {Nirmale, Trupti C. and Karbhal, Indrapal and Kalubarme, Ramchandra S. and Shelke, Manjusha V. and Varma, Anjani J. and Kale, Bharat B.} } @article {43705, title = {Facile synthesis of ZnO-Ag nanocomposite and its photocatalytic activity}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {MAY}, pages = {Article Number: 055011}, type = {Article}, abstract = {
The evolution of photoactive hybrid materials (e.g. noble metal-semiconductor) has resulted in heterogeneous photocatalysis. We report a facile route for the synthesis of ZnO-Ag nanocomposites with varying percentage of loading of the noble metal, expecting a great boost in the photocatalytic behavior of ZnO. The as prepared material was thoroughly characterized by UV-Vis, FTIR, TEM, FESEM, XRD, XPS analyses. The photocatalytic activities of the nanocomposites have been assessed from the ability to degrade methylene blue dye in aqueous solution. The results suggest that incorporation of Ag nanoparticles on the surface of ZnO particles can enhance catalytic activity in comparison to pure ZnO particles under visible light by minimizing the recombination of photogenerated electron-hole pairs.
}, doi = {10.1088/2053-1591/aa6df1}, author = {Sardar, Debasmita and Maity, Jayeta and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {43956, title = {Facile synthesis of β-functionalized {\textquotedblleft}push-pull{\textquotedblright} Zn(II) porphyrins for DSSC applications}, journal = {Dyes and Pigments}, volume = {147}, year = {2017}, month = {DEC}, pages = {56-66}, type = {Journal Article}, abstract = {
Three new β-substituted {\textquotedblleft}push-pull{\textquotedblright} Zn(II) porphyrin dyes with various electron donors at meso-positions and cyanoacetic acid as acceptor at β-position have been designed and synthesized. These porphyrins have been characterized by UV-Vis, Fluorescence, 1H NMR and 13C NMR spectroscopic techniques and cyclic voltammetric studies. The Soret and Q band of Zn(II) porphyrin dyes were found to be red-shifted (30{\textendash}35 nm) as compared to ZnTPP. The fluorescence quenching and the decrement in quantum yield and lifetime suggest intramolecular charge transfer from donor to acceptor. Zn porphyrins exhibited anodic shift in their first redox potentials (0.03{\textendash}0.11 V) as compared to ZnTPP. The HOMO-LUMO energy levels of Zn porphyrin dyes were compared with the conduction band of TiO2 and the electrolyte I-/I3 -. The HOMO levels of all the dyes are sufficiently higher than the energy level of electrolyte I-/I3 - and LUMO levels significantly lower than the conduction band of TiO2 which reflect the feasibility of facile electron-transfer. ZnT(Mes)P(CN-COOH) has been co-sensitized with N719 dye to further improve the PCE efficiency. These dyes displayed power conversion efficiency (PCE) of η = 1.72{\textendash}3.13\% where co-sensitized ZnT(Mes)P(CN-COOH) (N719) dye demonstrated maximum PCE efficiency up to 5.35\%, with a Jsc of 11.8 mA cm-2, a Voc of 630 mV and a fill factor (FF) of 72\% due to better light harvesting capacity.
}, keywords = {charge transfer, Conduction Bands, Cyanoacetic Acid, Electrolytes, Floorescence, Redox Reaction, zinc compounds}, doi = {10.1016/j.dyepig.2017.07.053}, author = {Prakash, K.}, editor = {Manchanda, S.} } @article {43521, title = {Factors affecting the efficiency of a water splitting photocatalyst: a perspective}, journal = {Renewable \& Sustainable Energy Reviews}, volume = {71}, year = {2017}, month = {MAY}, pages = {585-601}, abstract = {To design an efficient photocatalyst (PC) for semiconductor (SC)-mediated, solar-driven water dissociation to generate hydrogen, a host of strategies has been adopted, including the fabrication of semiconductor composites, substitution of impurities for achieving extended absorbance, and coating with a metal to promote charge transfer. Despite these efforts, a photocatalyst exhibiting requisite efficiency has not been developed. This article reviews the factors governing the water splitting photoactivity of an SC material, and provides an account of our recent research on this subject. As per our investigations, the mode of adsorption of the water molecules on the semiconductor surface and their subsequent interaction with the charge carriers play a crucial role in the overall performance of a water splitting photocatalyst, rather than the much-discussed SC SC or SC -> metal charge transfer effects alone. The water to-SC binding is controlled by a combination of several physicochemical properties of a composite PC, such as the preparation-dependent grain morphology, doping affected grain nucleation, pore structure-dependent water adsorption/desorption kinetics, exposure of specific facets, and SC/SC or SC/metal interfacial characteristics. Our studies revealed strong particle size dependence and the facet-based sensitivity of modified metal sulfide and metal oxide photocatalysts. Additionally, the effect of lattice impurity on quantum efficiency of wide gap metal oxides, such as TiO2, In2TiO5, InVO4, FeNbO4, GaNbO4, GaFeO3, and LaInO3, is related to the lattice-defect-induced intra-bandgap energy levels rather than the doping-induced extension of visible region absorbance. Furthermore, the dispersed gold natoparticles served as distinct reaction sites over the surface of a TiO2 photocatalyst besides their contribution to the plasmonic effect. Our study revealed that under certain spectral overlap conditions, the inter-semiconductor charge transfer might cause quenching of the water splitting photoactivity Of a composite photocatalyst. We surmise that considering the aforementioned factors should assist in designing an efficient water splitting PC, eventually triggering technological advancements in this field.}, doi = {10.1016/j.rser.2016.12.086}, author = {Gupta, Narendra M.} } @conference {44037, title = {Fault detection and analysis of Kapton film in fuel cells using image processing}, booktitle = {International Conference on Computing, Analytics and Security Trends, CAST 2016}, year = {2017}, month = {28 April 2017}, abstract = {
Fuel cell is one of the best alternatives of fossil energy in the modern scenario. But still there are some shortcomings such as durability and reliability, which block the wide application of fuel cells. To overcome these barriers, fault diagnosis is an efficient solution. This paper proposes a method for finding dimensional accuracies in Kapton films in membrane electrode assemblies (MEA) of fuel cells using image processing tools for offline fault analysis. {\textcopyright} 2016 IEEE.
}, keywords = {Dimensional accuracy, Fault analysis, fault detection, Fossil energy, fuel cell, Gas fuel purification, image analysis, Image processing, Image processing tools, Kapton films, Membrane electrode assemblies, Offline, polyimides}, isbn = {978-150901338-8}, doi = {10.1109/CAST.2016.7915032}, author = {Firdous, R. and Aherrao, S. and Narute, B. and Borkar, V.} } @article {43835, title = {ffects of cations, anions and H+ concentration of acidic ionic liquids on the valorization of polysaccharides into furfural}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {JUL}, pages = {6137-6144}, type = {Article}, abstract = {The valorization of hemicellulose into valuable chemicals, such as C5 sugars and furfural, in a one-pot fashion is crucial. In this work, acidic ionic liquids in the presence of water showed high yields of C5 sugars (>80\%) with >99\% conversion of hemicelluloses at 160 degrees C. With a water + toluene biphasic solvent system, within 4 h, an 85\% furfural yield was obtained directly from hemicellulose in a one-pot fashion using a catalytic amount of 1-methyl-3-(3-sulfopropyl)-imidazolium hydrogen sulfate. It was seen that Bronsted acidic ionic liquids (BAILs) perform better than solid acid [Faujasite and Mordenite zeolites; ion exchange resin, Amberlyst-15] and mineral catalysts [HCl and H2SO4]. The higher activity of BAILs compared to solid acids and mineral acids was correlated to the Hammett acidity function (Ho) and ion-dipole type of interactions. The catalysts were characterized using NMR (H-1 and C-13), elemental analysis and TGA to confirm that they were stable under reaction conditions and were thus recyclable.}, doi = {10.1039/c7nj00342k}, author = {Matsagar, Babasaheb M. and Dhepe, Paresh L.} } @article {45717, title = {Fickian yet non-Gaussian behaviour: A dominant role of the intermittent dynamics}, journal = {Journal Of Chemical Physics}, volume = {146}, year = {2017}, month = {APR }, pages = {134504}, type = {Article}, abstract = {
We present a study of the dynamics of small solute particles in a solvent medium where the solute is much smaller in size, mimicking the diffusion of small particles in crowded environment. The solute exhibits Fickian diffusion arising from non-Gaussian Van Hove correlation function. Our study shows that there are at least two possible origins of this non-Gaussian behaviour: the decoupling of the solute-solvent dynamics and the intermittency in the solute motion, the latter playing a dominant role. In the former scenario when averaged over time long enough to explore different solvent environments, the dynamics recovers the Gaussian nature. In the case of intermittent dynamics the non-Gaussianity remains even after long averaging and the Gaussian behaviour is obtained at a much longer time. Our study further shows that only for an intermediate attractive solute-solvent interaction the dynamics of the solute is intermittent. The intermittency disappears for weaker or stronger attractions. Published by AIP Publishing.
}, issn = {0021-9606}, doi = {10.1063/1.4979338}, author = {Acharya, Sayantan and Nandi, Ujjwal Kumar and Bhattacharyya, Sarika Maitra} } @article {44110, title = {Fire-retardant, self-extinguishing inorganic/polymer composite memory foams}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {DEC}, pages = {44864-44872}, type = {Article}, abstract = {Polymeric foams used in furniture and automotive and aircraft seating applications rely on the incorporation of environmentally hazardous fire-retardant additives to meet fire safety norms. This has occasioned significant interest in novel approaches to the elimination of fire-retardant additives. Foams based on polymer nano composites or based on fire-retardant coatings show compromised mechanical performance and require additional processing steps. Here, we demonstrate a one-step preparation of a fire-retardant ice-templated inorganic/polymer hybrid that does not incorporate fire-retardant additives. The hybrid foams exhibit excellent mechanical properties. They are elastic to large compressional strain, despite the high inorganic content. They also exhibit tunable mechanical recovery, including viscoelastic "memory". These hybrid foams are prepared using ice-templating that relies on a green solvent, water, porogen. Because these foams are predominantly comprised of inorganic components, they exhibit exceptional fire retardance in torch burn tests and are self-extinguishing. After being subjected to a flame, the foam retains its porous structure and does not drip or collapse. In micro-combustion calorimetry, the hybrid foams show a peak heat release rate that is only 25\% that of a commercial fire-retardant polyurethanes. Finally, we demonstrate that we can use ice-templating to prepare hybrid foams with different inorganic colloids, including cheap commercial materials. We also demonstrate that ice-templating is amenable to scale up, without loss of mechanical performance or fire-retardant properties.}, doi = {10.1021/acsami.7b16808}, author = {Chatterjee, Soumyajyoti and Shanmuganathan, Kadhiravan and Kumaraswamy, Guruswamy} } @article {43341, title = {Flexible epoxy novolac coatings: use of cardanol-based flexibilizers}, journal = {Journal of Applied Polymer Science}, year = {2017}, month = {FEB}, abstract = {Flexible epoxy novolac coatings were developed by reacting an epoxy novolac resin, Poly[(phenylglycidyl ether)-co-formaldehyde] (PPGEF) with an amine curing agent, 4,4'-diamino-3,3'-dimethyldicyclohexyl methane (BMCHA), cardanol based reactive diluent (Cardolite NC-513) and two different cardanol-based flexibilizers (Cardolite NC-514 and Cardolite NC-547). The flexibilizer content was varied from 5 to 10\% by weight of the resin. These resins were coated onto the stainless steel panels and tested for their gloss, cross-hatch adhesion, falling weight impact resistance, flexibility, abrasion, scratch hardness, solvent scrub resistance, and chemical resistance. The thermo-mechanical properties of these coatings were determined by TGA, DSC, DMTA, and tensile strength measurements. The cryofractured specimens were subjected to SEM analysis. The influence of structural differences of two flexibilizers on the coating properties was investigated. These coatings exhibited excellent properties and have great potential in industrial applications. {\textcopyright} 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44920.}, doi = {10.1002/app.44920}, author = {Gour, Rajeshwari S. and Raut, Kundalik G. and Badiger, Manohar V.} } @article {44086, title = {Fluorescent metal quantum clusters: an updated overview of the synthesis, properties, and biological applications}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {DEC}, pages = {9055-9084}, abstract = {Metal quantum clusters are evolving as excellent systems for a wide range of biological applications due to their small size (similar to 2 nm), tunable optical properties, including optical absorption, photoluminescence (UV to NIR), nonlinear optical properties (two-photon absorption, two-photon fluorescence, and second/third harmonic generation), ultrafast dynamics (relaxation kinetics, electron-phonon coupling, and radiative emission), and magnetism. These excellent properties have resulted in their use in a broad range of applications, including the sensing of ions (heavy metal ions, anions), biomolecules (proteins, DNA, miRNA, and enzymes), biological cells, diagnosis, and therapy. This article presents an introduction to metal quantum clusters, including a brief history of research in this system and an overview of the existing theories to understand their properties. We also discuss the synthesis methods, the various properties of quantum clusters and present a broad and updated overview of the applications of metal quantum clusters in biology.}, doi = {10.1039/c7tb02320k}, author = {Khandelwal, Puneet and Poddar, Pankaj} } @article {43481, title = {Fluoride-mediated dephosphonylation of alpha-diazo-beta-carbonyl phosphonates}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {JAN}, pages = {372-375}, abstract = {The possibility of fluoride-mediated selective dephosphonylation of alpha-diazo-beta-carbonyl phosphonates such as the Ohira-Bestmann reagent has been proposed and executed. The resulting alpha-diazocarbonyl intermediates undergo a (3 + 2)pcycloaddition at room temperature with conjugated olefins and benzynes. Interestingly, under the current conditions, the resulting cycloaddition products underwent either N-acylation (with excess alpha-diazo-beta-carbonyl phosphonates) or Michael addition (with conjugated olefins).}, doi = {10.1021/acs.orglett.6b03573}, author = {Phatake, Ravindra S. and Mullapudi, Venkannababu and Wakchaure, Vivek C. and Ramana, Chepuri V.} } @article {43834, title = {Formal [2+1] annulation (Spiro-Cyclopropanation) reaction between sulfur ylides derived from baylis-hillman bromides and arylidene indane-1,3-dione}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {JUL}, pages = {6159-6162}, type = {Article}, abstract = {
The sulfonium salts derived from the Baylis-Hillman bromides have been successfully employed for the selective cycloproporanation of arylidene indane-1,3-diones to synthesize densely substituted spiro-cyclopropanes in good to excellent yields (upto 94\%). Products were obtained mostly in 1:1 diastereomeric ratio and were isolated in pure form. Diastereoselectivity has been improved by using suitably substituted starting materials. In this case a formal [2+1] annulation reaction competes over a probable [3+2] cycloaddition reaction. The reaction proceeds through a Michael initiated ring closure process of S-ylides to the activated olefins for the formation of structurally strained spiro-cyclopropanes.
}, doi = {10.1002/slct.201701221}, author = {Roy, Suparna and Piradhi, Venkatesh} } @article {45732, title = {Formal synthesis of bioactive indole alkaloids eburnamonine, eburnaminol, and vindeburnol}, journal = {Synthesis-Stuttgart}, volume = {49}, year = {2017}, month = {APR}, pages = {1849-1856}, type = {Article}, abstract = {
Starting from (+/-)-3-acetoxyglutarimide, diastereoselective formal synthesis of indole alkaloids (+/-)-eburnamonine, (+/-)-eburnaminol, and (+/-)-vindeburnol have been demonstrated via a common intermediate (+/-)-1-hydroxy-12-tosyl-2,3,6,7,12,12b-hexahydroindolo[2,3a] quinolizin-4(1H)-one in very good overall yields. The acetoxy group from (+/-)-3-acetoxyglutarimide was first used to induce the diastereoselectivity and also as a latent source of ketone carbonyl group. The stereoselective eliminations, reductions, and intramolecular cyclizations were the involved key steps.
}, keywords = {cyclizations, eburnaminol, eburnamonine, elimination, hexahydroindoloquinolizinone, reduction, vindeburnol}, issn = {0039-7881}, doi = {10.1055/s-0036-1588386}, author = {Mondal, Pravat and Argade, Narshinha P.} } @article {42948, title = {From lignocellulosic biomass to furfural: insight into the active species of a silica-supported tungsten oxide catalyst}, journal = {ChemCatChem}, volume = {9}, year = {2017}, month = {JUL}, pages = {2709-2716}, type = {Article}, abstract = {
A sol{\textendash}gel-synthesized silica-supported tungsten oxide catalyst that has Lewis acidity was characterized and employed as a solid acid catalyst in the synthesis of furfural directly from lignocellulosic biomass (isolated xylans and crop wastes). In a one-pot method, 71 \% furfural formation from isolated xylan was possible using a water/toluene (1:2 v/v) biphasic solvent system at 170 {\textdegree}C after 10 h over 10 wt \% WO3/SiO2. The WO3/SiO2 catalyst in the selective conversion of pentosan from crop wastes (bagasse, wheat straw, and rice husk) yielded 72{\textendash}87 \% furfural under the optimum reaction conditions. Additionally, the catalyst presented excellent recyclability in at least eight runs after simple water washing. From the catalyst characterization studies, it was suggested that silicotungstic-type acid species are anchored on the WO3/SiO2 catalyst that help to achieve a good catalytic activity.
}, doi = {10.1002/cctc.201600784}, author = {Bhaumik, Prasenjit and Dhepe, Paresh Laxmikant} } @article {43808, title = {Fruit peel waste: characterization and its potential uses}, journal = {Current Science}, volume = {113}, year = {2017}, month = {AUG}, pages = {444-454}, type = {Article}, abstract = {Globally, India is the leading producer of fruits. Fruits after consumption leave a peel which is a nuisance to the environment as a solid waste. In this article, commonly available large volume-fruit peels (FP) (viz. banana, orange, citrus, lemon and jackfruit) were investigated for surface, physical and chemical characteristics with a view to propose their valorization in detail. Each FP was characterized by proximate and ultimate analysis, porosity, particle density, bulk density, point of zero charge (pH(pzc)), surface pH, surface charges, water absorption capacity, BET surface area, scanning electron microscopy, Fourier transform infrared spectroscopy and TGA/derivative of thermogravimetric. The BET surface area of FP is very less, between 0.60 and 1.2 m(2)/g. The pH(pzc) and surface pH values of orange peel (OP), citrus peel (CP), lemon peel (LP) and jackfruit peels (JFP) are in the range of 3-4. The pH(pzc) value and surface pH of banana peel (BP) is closer to 7. The order of surface acidity is OP > LP > CP > JFP > BP. From TG curves it is clear that FPs are stable below 150 degrees C. The results will be useful for rational design, when FP is used as a substrate for bioactive compounds, phenolic antioxidants, organic acids, enzymes, biofertilizer, production of energy and as adsorbents.}, doi = {10.18520/cs/v113/i03/444-454}, author = {Pathak, Pranav D. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {45736, title = {Functional stability and structural transitions of kallikrein: spectroscopic and molecular dynamics studies}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {35}, year = {2017}, month = {MAR}, pages = {330-342}, type = {Article}, abstract = {
Kallikrein, a physiologically vital serine protease, was investigated for its functional and conformational transitions during chemical (organic solvents, Gdn-HCl), thermal, and pH induced denaturation using biochemical and biophysical techniques and molecular dynamics (MD) simulations approach. The enzyme was exceptionally stable in isopropanol and ethanol showing 110\% and 75\% activity, respectively, after 96h, showed moderate tolerance in acetonitrile (45\% activity after 72h) and much lower stability in methanol (40\% activity after 24h) (all the solvents [90\% v/v]). Far UV CD and fluorescence spectra indicated apparent reduction in compactness of KLKp structure in isopropanol system. MD simulation studies of the enzyme in isopropanol revealed (1) minimal deviation of the structure from native state (2) marginal increase in radius of gyration and solvent accessible surface area (SASA) of the protein and the active site, and (3) loss of density barrier at the active site possibly leading to increased accessibility of substrate to catalytic triad as compared to methanol and acetonitrile. Although kallikrein was structurally stable up to 90 degrees C as indicated by secondary structure monitoring, it was functionally stable only up to 45 degrees C, implicating thermolabile active site geometry. In GdnHCl [1.0M], 75\% of the activity of KLKp was retained after incubation for 4h, indicating its denaturant tolerance. A molten globule-like structure of KLKp formed at pH 1.0 was more thermostable and exhibited interesting structural transitions in organic solvents. The above results provide deeper understanding of functional and structural stability of the serine proteases at molecular level.
}, keywords = {isopropanol tolerance, Kallikrein, MD Simulation, Molten globule, Serine protease, Thermostability}, issn = {0739-1102}, doi = {10.1080/07391102.2016.1138884}, author = {Dalal, Sayli and Mhashal, Anil and Kadoo, Narendra and Gaikwad, Sushama M.} } @inbook {45817, title = {Fungal differentiation: a model phenomenon to screen antifungal drugs}, booktitle = {Developments in Fungal Biology and Applied Mycology}, year = {2017}, pages = { 227-246}, publisher = {Springer}, organization = {Springer}, chapter = {Fungal differentiation: A model phenomenon to screen antifungal drugs}, address = {Singapore}, abstract = {Pathogenic fungi change the morphology to a suitable vegetative form such as unicellular yeast or filamentous mycelium for the survival and proliferation in the host as well as to defeat cellular and physiological defences of the host. The microenvironment of the pathogen triggers different biochemical processes finally leading to differentiation. These biochemical processes, which correlate with morphological change from saprophytic/less virulent to pathogenic form, can be targeted for the development of novel antifungal agents. The present chapter deals with the role of differentiation in fungal pathogenesis and discusses different biochemical events as target for the antifungal strategies.}, isbn = {978-981-10-4767-1}, doi = {10.1007/978-981-10-4768-8_12}, author = {Pathan, E.K. and Tupe, S.G. and Deshpande, M.V.} } @article {43923, title = {G - C3N4 (2D)/CdS (1D)/rGO (2D) dual-interface nano-composite for excellent and stable visible light photocatalytic hydrogen generation}, journal = {International Journal of Hydrogen Energy}, volume = {42}, year = {2017}, month = {MAR}, pages = {5971-5984}, type = {Journal }, abstract = {
A 2D/1D/2D dual-interface nano-composite configuration in the form of CdS nanorods sandwiched between g-C3N4 and rGO sheets with intimate interfacial contact is synthesized by a facile wet-chemical method and is shown to exhibit excellent photocatalytic H2 generation under visible-light irradiation. In particular, the optimal g-C3N4/CdS/rGO dual-interface nano-composite shows H2 production rate of \~{}4800 μmol h-1 g-1, which is almost 44, 11 and 2.5 times higher than that shown by pure g-C3N4 nanosheets, and the g-C3N4/rGO and g-C3N4/CdS single interface heterostructures, respectively. It is shown that the synergic effects involving the band structure match and close interfacial contact, which can accelerate the separation and transfer of photoinduced charge carriers, and the enhanced visible-light absorption together contribute to the impressive photocatalytic performance and photostability of the g-C3N4/CdS/rGO ternary nano-composite system. Specific advantages of a dual-interface triple-composite system over a single interface case(s) are also brought out.
}, keywords = {charge transfer, Dual Interface, G - CN, H Generation, Hetero Structure, Nano - Composite}, doi = {10.1016/j.ijhydene.2016.11.065}, author = {Tonda, Surendar}, editor = {Kumar, Santosh} } @article {43293, title = {Galvanic replacement-based Cu2O self-templating strategy for the synthesis and application of Cu2O{\textendash}Ag heterostructures and monometallic (Ag) and bimetallic (Au{\textendash}Ag) hollow mesocages}, journal = {Crystengcomm}, volume = {19}, year = {2017}, month = {FEB}, pages = {1669-1679}, type = {Journal Article}, abstract = {Polyhedral Cu2O microparticles as self-templates have been well-demonstrated for the synthesis of Cu2O{\textendash}M heterostructures (M = Au, Pd, Pt) and Au nano/mesocages utilizing the galvanic replacement reaction (GRR) strategy. However, reports on GRR-based fabrication of Cu2O{\textendash}Ag heterostructures and the ensuing Ag mesocages are scanty. There is no report that describes the phenomenon of facet selectivity during the GRR-based deposition of Ag on Cu2O template particles. Here, we have identified the underlying rationale behind the observed difficulty in nucleating Ag nanoparticles on an octahedral Cu2O self-template particle. Utilization of an appropriately chosen surfactant/complexant for the silver precursor helps in demonstrating the successful fabrication of Cu2O{\textendash}Ag heterostructures (octahedral, cubic) with a tunable loading density of Ag NPs on the Cu2O surfaces. This is achieved using Cu2O template particles that undergo GRR with silver nitrate in the presence of nitric acid, and 5-sulfosalicylic acid as the surfactant (key role players). We provide evidence that supports facet selectivity during the deposition of Ag NPs on Cu2O cuboctahedral particles. Hollow octahedral Ag and Au{\textendash}Ag bimetallic mesocages are fabricated that have rough surfaces, uniform morphology, and excellent shape retention. The fabricated heterostructures and mesocages act as an excellent SERS substrate. This is the first report on the rational synthesis of octahedral Cu2O{\textendash}Ag heterostructures and octahedral hollow metallic mesocages utilizing the Cu2O self-templating strategy along with the demonstration of facet selectivity of Ag deposition on Cu2O template particles through GRR. The current approach offers a facile and versatile protocol for the synthesis of Cu2O{\textendash}metal heterostructures and hollow noble metal mesocages.}, issn = {1466-8033}, doi = {10.1039/C7CE00110J}, author = {Bakthavatsalam, Rangarajan and Kundu, Janardan} } @article {43357, title = {General nickel-catalyzed method for C-H bond alkynylation of heteroarenes through chelation assistance}, journal = {Chemistry - A European Journal}, volume = {23}, year = {2017}, month = {FEB}, pages = {2907-2914}, abstract = {
A general nickel-catalyzed method for the alkynylation of heteroarenes through monodentate chelation assistance is described. Many heterocycles, including indoles, pyrroles, imidazoles and pyrazole, efficiently coupled with (triisopropylsilyl)alkynyl bromide, and synthetically important functional groups, such as halides, ether, nitrile, nitro were tolerated. Synthetic applicability of this Ni-catalyzed method is demonstrated by the removal of triisopropylsilyl (-SiiPr$_{3}$) group, and further functionalization into triazolyl, benzofuranyl and alkynyl arene derivatives. Preliminary mechanistic investigations on the alkynylation of indole suggest that the reaction proceeds through kinetically relevant C-H activation and follows the two-electron redox pathway. A catalytically competent Ni-species, [(Phen)$_{3}$Ni].NiBr$_{4}$ has been isolated and structurally characterized.
}, doi = {10.1002/chem.201605306}, author = {Punji, Benudhar and Khake, Shrikant manmathappa and Soni, Vineeta and Gonnade, Rajesh Ghanshyam} } @article {43918, title = {Genetic programming based drag model with improved prediction accuracy for fluidization systems}, journal = {International journal of Chemical Reactor Engineering}, volume = {15}, year = {2017}, month = {APR}, issn = {2016-0210}, doi = {10.1515/ijcre-2016-0210}, author = {Sonolikar, R. R. and Patil, M. P. and Mankar, R. B. and Tambe, S. S. and Kulkarni, B. D.} } @article {43658, title = {Genetic programming based high performing correlations for prediction of higher heating value of coals of different ranks and from diverse geographies}, journal = {Journal of the Energy Institute}, volume = {90}, year = {2017}, month = {JUN}, pages = {476-484}, type = {Article}, abstract = {
The higher heating value (HHV) is the most important indicator of a coal{\textquoteright}s potential energy yield. It is commonly used in the efficiency and optimal design calculations pertaining to the coal combustion and gasification processes. Since the experimental determination of coal{\textquoteright}s HHV is tedious and time-consuming, a number of proximate and/or ultimate analyses based correlations which are mostly linear have been proposed for its estimation. Owing to the fact that relationships between some of the constituents of the proximate/ultimate analyses and the HHV are nonlinear, the linear models make suboptimal predictions. Also, a majority of the currently available HHV models are restricted to the coals of specific ranks or particular geographical regions. Accordingly, in this study three proximate and ultimate analysis based nonlinear correlations have been developed for the prediction of HHV of coals by utilizing the computational intelligence (CI) based genetic programming (GP) formalism. Each of these correlations possesses following noteworthy characteristics: (i) the highest HHV prediction accuracy and generalization capability as compared to the existing models, (ii) wider applicability for coals of different ranks and from diverse geographies, and (iii) structurally lower complex than the other CI-based existing HHV models. It may also be noted that in this study, the GP technique has been used for the first time for developing coal specific HHV models. Owing to the stated attractive features, the GP-based models proposed here possess a significant potential to replace the existing models for predicting the HHV of coals. (C) 2016 Energy Institute. Published by Elsevier Ltd. All rights reserved.
}, doi = {10.1016/j.joei.2016.03.002}, author = {Ghugare, Suhas B. and Tambe, Sanjeev S.} } @article {43896, title = {Genetic variability in Indian populations of banana corm weevil [Cosmopolites sordidus (Coleoptera: Curculionidae)] assessed by RAPDs and AFLPs}, journal = {International Journal of Tropical Insect Science}, volume = {37}, year = {2017}, month = {SEP}, chapter = {149-162}, abstract = {
Cosmopolites sordidus (Germar), commonly known as banana corm weevil, is an important economic pest in Asia that can cause severe yield loss depending upon the stage at which infestation occurs. In spite of its economic importance, little is known about the population structure of this pest in India. Random amplified polymorphic DNA (RAPD) and amplified fragment length polymorphism (AFLP) were used to characterize the population genetic structure of C. sordidus collected from five hot spot locations in India. Nineteen RAPD primers and five selective AFLP primer combinations generated 147 and 304 amplification products, respectively. UPGMA dendrograms generated with both marker systems failed to reveal populations clustered based on geographic distance, which was confirmed by the Mantel test, which did not show a strong correlation between genetic distance and geographic distance. Values of indices of genetic identity showed that the populations were closely related. Though the gene flow estimate (Nm) between the populations was 0.469, suggesting restricted gene flow, the populations are not genetically distinct. These observations suggest that the range expansion of this banana pest in India has taken place through transport of infested corms and plant material, resulting in genetically close populations that are geographically distinct. These results provide important information on the population structure of this pest in India, which will aid in designing suitable strategies for its control and management, especially with respect to insecticide resistance.
}, keywords = {Aflps, Arbitrary Primers, Bemisia-tabaci, Cosmopolites Sordidus, diversity, Genetic diversity, Germar Coleoptera, insecticide resistance, Markers, Musa Spp., Pcr, Rapds, Restricted Gene Flow Natural-populations, Scirpophaga-incertulas}, doi = {10.1017/S1742758417000108}, author = {Yadav, Sweta Kumari U. and Singh, Jyotsna and Padmanaban, B. and Kumar, Lalitha Sunil} } @inbook {45818, title = {Genetically engineered crops: Opportunities, constraints, and food security at a glance of human health, environmental impact, and food quality}, booktitle = {Genetically Engineered Foods}, volume = {6}, year = {2017}, pages = {311-334}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, edition = {1st}, chapter = {Genetically engineered crops: Opportunities, constraints, and food security at a glance of human health, environmental impact}, address = {Singapore}, abstract = {
Genetic modification (GM) is an incredible technology and it will be among the top 10 technologies developed in the 20th century. People believe that GM technology will answer the future food demand and enable the world to feed millions of people; however, there are apprehensions about the impact of GM crops on human health, the environment, and food quality. Due to the controversy over GM crops, it is important to think about their economic and social effects. GM plants are likely to have increased nutrient levels, produce pharmaceuticals, and show resistance to disease, cold, and drought, and thus increase food security. Conversely, they may also lead to the emergence of new allergens. When thinking about food quality, these crops have the ability to generate more nutritious varieties, which may be of benefit to malnourished populations. However, with the exception of Golden Rice (which was developed to face vitamin A deficiency) achievements in this field are a long way off. These crops also have the potential to have a positive environmental impact as herbicide-tolerant plants can be cultivated on all types of land; however, this also brings about the possibility of generating herbicide-resistant weeds. Overall, GM crops can increase incomes for farmers and aid in drug production; however, care should be taken before releasing GM crops into the environment because once they are planted there will be no turning back.
}, isbn = {978-0-12-811519-0}, doi = {10.1016/B978-0-12-811519-0.00012-1}, author = {Dawkar, V.V. and , Chougale, A.D., and Barvkar, V.,} } @article {45820, title = {Genome-wide identification and tissue-specific expression analysis of nucleotide binding site-leucine rich repeat gene family in Cicer arietinum (kabuli chickpea)}, journal = {Genomics Data}, volume = {14}, year = {2017}, month = {DEC}, pages = { 24-31}, type = {Article}, abstract = {The nucleotide binding site-leucine rich repeat (NBS-LRR) proteins play an important role in the defense mechanisms against pathogens. Using bioinformatics approach, we identified and annotated 104 NBS-LRR genes in chickpea. Phylogenetic analysis points to their diversification into two families namely TIR-NBS-LRR and non-TIR-NBS-LRR. Gene architecture revealed intron gain/loss events in this resistance gene family during their independent evolution into two families. Comparative genomics analysis elucidated its evolutionary relationship with other fabaceae species. Around 50\% NBS-LRRs reside in macro-syntenic blocks underlining positional conservation along with sequence conservation of NBS-LRR genes in chickpea. Transcriptome sequencing data provided evidence for their transcription and tissue-specific expression. Four cis-regulatory elements namely WBOX, DRE, CBF, and GCC boxes, that commonly occur in resistance genes, were present in the promoter regions of these genes. Further, the findings will provide a strong background to use candidate disease resistance NBS-encoding genes and identify their specific roles in chickpea.}, issn = {22135960}, doi = {10.1016/j.gdata.2017.08.004}, author = {Sharma, R. and ,Rawat, V. and Suresh, C.G.} } @article {45682, title = {Genomic and functional characterization of coleopteran insect-specific alpha-amylase inhibitor gene from amaranthus species}, journal = {Plant Molecular Biology}, volume = { 94 }, year = {2017}, month = {JUN}, pages = {319-332}, type = {Article}, abstract = {The smallest 32 amino acid alpha-amylase inhibitor from Amaranthus hypochondriacus (AAI) is reported. The complete gene of pre-protein (AhAI) encoding a 26 amino acid (aa) signal peptide followed by the 43 aa region and the previously identified 32 aa peptide was cloned successfully. Three cysteine residues and one disulfide bond conserved within known alpha-amylase inhibitors were present in AhAI. Identical genomic and open reading frame was found to be present in close relatives of A. hypochondriacus namely Amaranthus paniculatus, Achyranthes aspera and Celosia argentea. Interestingly, the 3{\textquoteright}UTR of AhAI varied in these species. The highest expression of AhAI was observed in A. hypochondriacus inflorescence; however, it was not detected in the seed. We hypothesized that the inhibitor expressed in leaves and inflorescence might be transported to the seeds. Sub-cellular localization studies clearly indicated the involvement of AhAI signal peptide in extracellular secretion. Full length rAhAI showed differential inhibition against alpha-amylases from human, insects, fungi and bacteria. Particularly, alpha-amylases from Helicoverpa armigera (Lepidoptera) were not inhibited by AhAI while Tribolium castaneum and Callosobruchus chinensis (Coleoptera) alpha-amylases were completely inhibited. Molecular docking of AhAI revealed tighter interactions with active site residues of T. castaneum alpha-amylase compared to C. chinensis alpha-amylase, which could be the rationale behind the disparity in their IC50. Normal growth, development and adult emergence of C. chinensis were hampered after feeding on rAhAI. Altogether, the ability of AhAI to affect the growth of C. chinensis demonstrated its potential as an efficient bio-control agent, especially against stored grain pests.}, doi = {10.1007/s11103-017-0609-5}, author = {Bhide, Amey J. and Channale, Sonal M. and Yadav, Yashpal and Bhattacharjee, Kabita and Pawar, Pankaj K. and Maheshwari, V. L. and Gupta, Vidya S. and Ramasamy, Sureshkumar and Giri, Ashok P.} } @inbook {45821, title = {Global conformation of Tau protein mapped by Raman spectroscopy}, booktitle = {Methods in Molecular Biology}, volume = {1523}, year = {2017}, pages = {21-31}, publisher = {Humana Press Inc.}, organization = {Humana Press Inc.}, chapter = {Global conformation of Tau protein mapped by Raman spectroscopy}, address = {New York}, abstract = {Alzheimer{\textquoteright}s disease (AD) is one of the neurodegenerative disease characterized by progressive neuronal loss in the brain. Its two major hallmarks are extracellular senile plaques and intracellular neurofibrillary tangles (NFTs), formed by aggregation of amyloid β-42 (Aβ-42) and Tau protein respectively. Aβ-42 is a transmembrane protein, which is produced after the sequential action of β- and γ-secretases, thus obtained peptide is released extracellularly and gets deposited on the neuron forming senile plaques. NFTs are composed of microtubule-associated protein-Tau (MAPT). Tau protein{\textquoteright}s major function is to stabilize the microtubule that provides a track on which the cargo proteins are shuttled and the stabilized microtubule also maintains shape and integrity of the neuronal cell. Tau protein is subjected to various modifications such as phosphorylation, ubiquitination, glycation, acetylation, truncation, glycosylation, deamination, and oxidation; these modifications ultimately lead to its aggregation. Phosphorylation is the major modification and is extensively studied with respect to Tau protein. Tau protein, however, undergoes certain level of phosphorylation and dephosphorylation, which regulates its affinity for microtubule and ultimately leading to microtubule assembly and disassembly. Our main aim was to study the native state of longest isoform of Tau (hTau40WT-4R2N) and its shortest isoform, (hTau23WT-3R0N), at various temperatures such as 10, 25, and 37 {\textdegree}C. Raman spectroscopic results suggested that the proportion of random coils or unordered structure depends on the temperature of the protein environment. Upon increase in the temperature from 10 to 37 {\textdegree}C, the proportion of random coils or unordered structures increased in the case of hTau40WT. However, we did not find a significant effect of temperature on the structure of hTau23WT. This current approach enables one to analyze the global conformation of soluble Tau in solution. }, doi = {10.1007/978-1-4939-6598-4_2}, author = {Gorantla, N.V. and Khandelwal, P. and Poddar, P. and Chinnathambi, S.} } @article {43839, title = {Glucosylation of smoke-derived volatiles in grapevine (vitis vinifera) is catalyzed by a promiscuous resveratrol/guaiacol glucosyltransferase}, journal = {Journal of Agricultural and Food Chemistry}, volume = {65}, year = {2017}, month = {JUL}, pages = {5681-5689}, type = {Article}, abstract = {Vinification of grapes (Vitis vinifera) exposed to forest fire smoke can yield unpalatable wine due to the presence of taint compounds from smoke and the release of smoke derived volatiles from their respective glycosides during the fermentation process or in-mouth during consumption. To identify glycosyltransferases (GTs) involved in the formation of glycosidically bound smoke-derived volatiles we performed gene expression analysis of candidate GTs in different grapevine tissues. Second, substrates derived from bushfire smoke or naturally occurring in grapes were screened with the candidate recombinant GTs. A resveratrol GT (UGT72B27) gene, highly expressed in grapevine leaves and berries was identified to be responsible for the production of the phenolic glucosides. UGT72B27 converted the stilbene trans-resveratrol mainly to the 3-O-glucoside. Kinetic analyses yielded specificity constants (k(cat)/K-m) of 114, 17, 9, 8, and 2 mM(-1) s(-1) for guaiacol, trans-resveratrol, syringol, methylsyringol, and methylguaiacol, respectively. This knowledge will help to design strategies for managing the risk of producing smoke-affected wines.}, doi = {10.1021/acs.jafc.7b01886}, author = {Haratl, Katja and Huang, Fong-Chin and Giri, Ashok P. and Franz-Oberdorf, Katrin and Frotscher, Johanna and Shao, Yang and Hoffmann, Thomas and Schwab, Wilfried} } @article {43543, title = {Glycation inhibitors extend yeast chronological lifespan by reducing advanced glycation end products and by back regulation of proteins involved in mitochondrial respiration}, journal = {Journal of Proteomics}, volume = {156}, year = {2017}, month = {MAR}, pages = {104-112}, abstract = {Advanced Glycation End products (AGEs) are implicated in aging process. Thus, reducing AGEs by using glycation inhibitors may help in attenuating the aging process. In this study using Saccharomyces cerevisiae yeast system, we show that Aminoguanidine (AMG), a well-known glycation inhibitor, decreases the AGE modification of proteins in non-calorie restriction (NR) (2\% glucose) and extends chronological lifespan (CLS) similar to that of calorie restriction (CR) condition (0.5\% glucose). Proteomic analysis revealed that AMG back regulates the expression of differentially expressed proteins especially those involved in mitochondrial respiration in NR condition, suggesting that it switches metabolism from fermentation to respiration, mimicking CR. AMG induced back regulation of differentially expressed proteins could be possibly due to its chemical effect or indirectly by glycation inhibition. To delineate this, Metformin (MET), a structural analog of AMG and a mild glycation inhibitor and Hydralazine (HYD), another potent glycation inhibitor but not structural analog of AMG were used. HYD was more effective than MET in mimicking AMG suggesting that glycation inhibition was responsible for restoration of differentially expressed proteins. Thus glycation inhibitors particularly AMG, HYD and MET extend yeast CLS by reducing AGEs, modulating the expression of proteins involved in mitochondrial respiration and possibly by scavenging glucose. Significance: This study reports the role of glycation in aging process. In the non-caloric restriction condition, carbohydrates such as glucose promote protein glycation and reduce CLS. While, the inhibitors of glycation such as AMC, HYD, MET mimic the caloric restriction condition by back regulating deregulated proteins involved in mitochondria( respiration which could facilitate shift of metabolism from fermentation to respiration and extend yeast CLS. These findings suggest that glycation inhibitors can be potential molecules that can be used in management of aging. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jprot.2017.01.015}, author = {Kazi, Rubina S. and Banarjee, Reema M. and Deshmukh, Arati B. and Patil, Gouri V. and Jagadeeshaprasad, Mashanipalya G. and Kulkarni, Mahesh J.} } @article {43865, title = {Glycoprotein alpha-amylase inhibitor from Withania somnifera differentially inhibits various alpha-amylases and affects the growth and development of Tribolium castaneum}, journal = {PEST Management Science}, volume = {73}, year = {2017}, month = {JUL}, pages = {1382-1390}, type = {Article}, abstract = {
BACKGROUND: Identification and characterisation of plant defensive molecules enrich our resources to design crop protection strategies. In particular, plant-derived proteinaceous inhibitor(s) of insect digestive enzymes appear to be a safe, sustainable and attractive option. RESULTS: A glycoprotein having non-competitive alpha-amylase inhibitory activity with a molecular weight of 8.3 kDa was isolated and purified from seeds of Withania somnifera alpha-amylase inhibitor (WSAI). Its mass spectrometry analysis revealed 59\% sequence coverage with Wrightide II-type alpha-amylase inhibitor from Wrightia religiosa. A dose-dependent inhibition of alpha-amylases from Aspergillus oryzae, Bacillus subtilis, Helicoverpa armigera and Tribolium castaneumwas recorded. Interestingly, WSAI did not inhibit human salivary alpha-amylase significantly. When adults of T. castaneum were fed with WSAI (1.6mg g(-1)), decrease inconsumption, growthandefficiency of conversion of ingested foodwas evident, along withover fourfold increases in feedingdeterrence index. Adecline inlarval residual alpha-amylase activity after feedingofWSAI resulted ina reduction in longevity of T. castaneum. CONCLUSION: The study reflects the significance of WSAI in affecting the overall growth and development of T. castaneum. Pre-and post-harvest pest resistive capability makes WSAI a potential candidate for insect pest management. Further, the effectiveness of this inhibitor could be explored either in formulations or through a transgenic approach. (C) 2016 Society of Chemical Industry
}, doi = {10.1002/ps.4467}, author = {Kasar, Sainath S. and Marathe, Kiran R. and Bhide, Amey J. and Herwade, Abhijeet P. and Giri, Ashok P. and Maheshwari, Vijay L. and Pawar, Pankaj K.} } @article {43959, title = {Gold nanoconjugates reinforce the potency of conjugated cisplatin and doxorubicin}, journal = {Colloids and Surfaces B: Biointerfaces}, volume = {160}, year = {2017}, month = {DEC}, pages = {254-264}, type = {Journal Article}, abstract = {Osteosarcoma or osteogenic sarcoma is the most common and prevalent cancerous tumor of bone and occurs especially in children and teens. Recent treatment strategy includes a combination of both chemotherapy and surgeries. Although, the use of single drug-based chemotherapy treatment remains unsatisfactory. Therefore, combinatorial therapy has emerged as a potential strategy for treatment with limited side- effects. Here, we evaluated the combinatorial anticancerous effect of cisplatin (CIS) and doxorubicin (DOX) bioconjugated bromelain encapsulated gold nanoparticles (B-AuNPs conjugated CIS and DOX) in the treatment of osteosarcoma. The synthesized B-AuNPs conjugated CIS and DOX were characterized by various characterization techniques like UV{\textendash}vis spectroscopy, TEM, DLS and zeta potential to ensure the synthesis, size, shape, size distribution and stability. Drug loading efficiency bioconjugation of CIS and DOX was ensured by UV{\textendash}vis spectroscopy. Bioconjugation of CIS and DOX was further confirmed using UV{\textendash}vis spectroscopy, TEM, DLS, Zeta potential and FT-IR analysis. The combinatorial effect of CIS and DOX in B-AuNPs conjugated CIS and DOX showed highly improved potency against MG-63 and Saos-2 cells at a very low concentration where primary osteoblasts didn{\textquoteright}t show any cytotoxic effect. The apoptotic effect of B-AuNPs conjugated CIS and DOX on osteosarcoma and primary osteoblasts cells were analyzed by increased permeability of the cell membrane, condensed chromatin and deep blue fluorescent condensed nucleus. The results clearly showed that B-AuNPs conjugated CIS and DOX significantly improved the potency of both the chemotherapeutic drugs by delivering them specifically into the nucleus of cancer cells through caveolae-dependent endocytosis. Thus, the greater inhibitory effect of combinatorial drugs (B-AuNPs conjugated CIS and DOX) over single drug based chemotherapy would be of great advantage during osteosarcoma treatment. }, keywords = {cells, chemotherapy, Cytology, Cytotoxicity, Drug interactions, dynamic light scattering, Gold, Molecular Biology, Platinum Compounds}, doi = {10.1016/j.colsurfb.2017.09.017}, author = {Iram, S.}, editor = {Zahera, M.} } @article {43867, title = {Gold-catalyzed dehydrazinative C(sp)-S coupling reactions of arylsulfonyl hydrazides with ethynylbenziodoxolones for accessing alkynyl sulfones}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {JUN}, pages = {3512-3515}, type = {Article}, abstract = {A gold(III)-catalyzed dehydrazinative coupling reaction between arylsulfonyl hydrazides and ethynylbenziodoxolone reagents was realized for the synthesis of alkynyl sulfones. The scope and versatility of the reaction were demonstrated by the efficient synthesis of 23 derivatives with diverse structural features.}, doi = {10.1002/ejoc.201700524}, author = {Shinde, Popat S. and Patil, Nitin T.} } @article {45760, title = {Grafoil-scotch tape-derived highly conducting flexible substrate and its application as a supercapacitor electrode}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {MAR }, pages = {3593-3600}, type = {Article}, abstract = {
Development of flexible supercapacitors is limited by the availability of flexible and durable conducting substrates; a conducting and cheap substrate for the active material deposition is essential for breakthrough progress in this direction. In this report, a highly flexible, conducting, and cheap substrate is prepared by simple stick and peel-off method involving Scotch tape and Grafoil. A Grafoil-Scotch tape derived flexible substrate exhibits a sheet resistance of 7 Omega square(-1) along with a high degree of flexibility and durability. Moreover, its properties are further enhanced by the anodization in order to increase the hydrophilicity and surface area. The substrate is highly thin with a thickness of just 74 mu m. Its practical utility has been demonstrated by electrodepositing MnO2 as an active material and, thereafter, fabricating a solid-state flexible supercapacitor. The fabricated device exhibits high capacitance retention under bent (99\%) and twisted (98\%) conditions along with a low ESR of 7 Omega.
}, issn = {2040-3364}, doi = {10.1039/c7nr00281e}, author = {Soni, Roby and Raveendran, Alka and Kurungot, Sreekumar} } @proceedings {45658, title = {Growth of flower-like patterns of TiO2 nanorods over FTO substrate}, volume = { 184 }, year = {2017}, month = {NOV}, pages = {166-171}, publisher = {Taylor \& Francis Group 2\&4 Park Square Milton Park Abingdon OX14 4RN}, address = { Univ Delhi, New Delhi, India}, abstract = {
Nanostructures such as nanoparticles, nanowires, nanorods, nanotubes have attracted great interest with the understanding of shape and size dependence in the electronic and sensing properties. This work demonstrates growth and characterization of one-dimensional nanorods of titanium-dioxide (TiO2) on the fluorine doped tin oxide (FTO) substrate by using hydrothermal method. Field effect scanning electron microscopy shows flower-like morphology, and energy-dispersive X-ray spectroscopy confirms the presence of Ti and O. The X-ray diffraction peaks agree well with the JCPDS data. Initially, the 1D nanorods are formed and high concentration of precursor assists evolution of the short branches to form flower-like structures.
}, doi = {10.1080/10584587.2017.1368640}, author = {Issar, Sheetal and Poddar, Pankaj and Mehra, N. C. and Mahapatro, Ajit K.} } @article {44154, title = {H-Bonding assisted self-assembly of anionic and neutral ligand on metal: a comprehensive strategy to mimic ditopic ligands in olefin polymerization}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {OCT}, pages = {12448-12456}, type = {Article}, abstract = {Self-assembly of two neutral ligands on a metal to mimic bidentate ligand coordination has been frequently encountered in the recent past, but self-assembly of an anionic ligand on a metal template alongside a neutral ligand remains an elusive target. Such a self-assembly is hampered by additional complexity, wherein a highly negatively charged anion can form intermolecular hydrogen bonding with the supramolecular motif, leaving no scope for self-assembly with neutral ligand. Presented here is the self-association of anionic ligand 3-ureidobenzoic acid (2a) and neutral ligand 1-(3-(diphenylphosphanyl)phenyl)urea (1a) on a metal template to yield metal complex [{COOC6H4-NH(CO)NH2}{Ph2PC6H4NH(CO)NH2}PdMeDMSO] (4a). The identity of 4a was established by NMR and mass spectroscopy. Along the same lines, 3-(3-phenylureido)benzoic acid (2b) and 1-(3-(diphenylphosphanyl)phenyl)-3-phenylurea (1b) self-assemble on a metal template to produce palladium complex [{COOC6H4NH(CO)NHPh}{Ph2PC6H4NH(CO)NHPh}PdMePy] (5c). The existence of 5c was confirmed by Job plot, 1-2D NMR spectroscopy, deuterium labeling, IR spectroscopy, UV-vis spectroscopy, model complex synthesis, and DFT calculations. These solution and gas phase investigations authenticated the presence of intramolecular hydrogen bonding between hydrogen{\textquoteright}s of 1b and carbonyl oxygen of 2b. The generality of the supramolecular approach has been validated by preparing six complexes from four monodentate ligands, and their synthetic utility was demonstrated in ethylene polymerization. Complex 4a was found to be the most active, leading to the production of highly branched polyethylene with a molecular weight of 55700 g/mol and melting temperature of 112 degrees C.}, doi = {10.1021/acs.inorgchem.7b01923}, author = {Mote, Nilesh R. and Patel, Ketan and Shinde, Dinesh R. and Gaikwad, Shahaji R. and Koshti, Vijay S. and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {43804, title = {Healable network polymers bearing flexible poly(Lauryl Methacrylate) chains via thermo-reversible furan-maleimide diels-alder reaction}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {55}, year = {2017}, month = {AUG}, pages = {2700-2712}, type = {Article}, abstract = {A new ATRP initiator containing two furyl rings, namely, bis(furan-2-ylmethyl) 2-bromopentanedioate was synthesized starting from commercially available L-glutamic acid as a precursor. Well-defined bisfuryl-terminated poly(lauryl methacrylate) macromonomers with molecular weight and dispersity in the range 5000-12,000 g mol(-1) and 1.30-1.37, respectively, were synthesized employing the initiator by atom transfer radical polymerization (ATRP). Independently, 1,1{\textquoteright},1"(nitrilotris(ethane-2,1-diyl)) tris(1H-pyrrole-2,5-dione) was synthesized as a tris-maleimide counterpart for furan-maleimide click reaction. Thermo-reversible network polymer bearing flexible poly(lauryl methacrylate; (PLMA) chains was obtained by furan-maleimide Diels-Alder click reaction of bisfurylterminated PLMA with 1,1{\textquoteright},1"-(nitrilotris(ethane-2,1-diyl)) tris(1Hpyrrole-2,5-dione). The prepared network polymer showed retro-Diels-Alder reaction in the temperature range 110-170 degrees C as determined from DSC analysis. The presence of low Tg (-40 degrees C) PLMA chains induced chain mobility to the network structure which led to the complete scratch healing of the coating at 60 degrees C in five days due to furan-maleimide adduct formation. The storage modulus of the network polymer was found to be 3.7 x 10(4) Pa at the constant angular frequency of 5 rad/ sec and strain of 0.5\%. The regular reversal of storage (G0) and loss modulus (G") was observed with repeated heating (40 to 110 degrees C) and cooling cycles (110 to 40 degrees C) at constant angular frequency and strain. (C) 2017 Wiley Periodicals, Inc.}, keywords = {ethane, Monomers, polymerization}, doi = {10.1002/pola.28677}, author = {Patil, Sachin S. and Torris, Arun and Wadgaonkar, Prakash P.} } @article {43509, title = {Helical preorganization of molecules drives solid-state intermolecular acyl-transfer reactivity in crystals: structures and reactivity studies of solvates of racemic 2,6-Di-O-(4-fluorobenzoyl)-myo-inositol 1,3,5-orthoformate}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {JAN}, pages = {117-126}, abstract = {Racemic 2,6-di-O-(4-fluorobenzoyl)-myo-inositol 1,3,5-orthoformate yielded structurally dissimilar solvent-free and solvated crystals depending upon the solvent of crystallization. The solvated crystals exhibited helical assembly of host molecules, due to the interaction of the guest molecules with the orthoformate moiety of the host. Some of the solvates showed specific but incomplete benzoyl group transfer reactivity below the phase transition temperature, whereas the reaction in solvent-free crystals led to a mixture of several products. These results reveal the necessity of helical molecular packing of the reacting molecules in their crystals to facilitate specific intermolecular acyl transfer reactivity. The crystal, structures of the fluorobenzoate solvates were similar to those of the solvates of the analogous chloro and bromobenzoates. The latter could be thermally :transformed into their solvent-free form via melt crystallization, resulting in the conversion of a helical molecular packing into a nonhelical molecular packing.}, doi = {10.1021/acs.cgd.6b01322}, author = {Krishnaswamy, Shobhana and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article {45649, title = {Heteroatom facilitated preparation of electrodes for sodium ion batteries}, journal = {RSC Advances}, volume = { 7 }, year = {2017}, month = {JUL}, pages = {12659-12662}, type = {Article}, abstract = {
A conjugated polymer comprising heterocycles was prepared and carbonized to obtain carbon with interlayer spacings between 0.42 and 0.37 nm and exhibited a specific capacity of 250 mA h g(-1).
}, doi = {10.1039/c6ra27662h}, author = {Bhosale, Manik E. and Banerjee, Abhik and Krishnamoorthy, Kothandam} } @article {43778, title = {Heterogeneous route for transfer hydrogenation reactions of ketones using Ru(II)Cymene complex over modified benzene-organosilica (PMOB)}, journal = {Molecular Catalysis}, volume = {440}, year = {2017}, month = {OCT}, pages = {66-74}, type = {Article}, abstract = {An inorganic-organic hybrid catalyst, Ru(II)Cym@PMOB, was synthesized by anchoring of [Ru(II)Cl-2(Pcymene)](2) complex which is derived from a reaction between hydrated ruthenium(III) trichloride and ocphellandrene over aminofunctionalized benzene-organosilica (PMOB). In the context of secondary alcohol synthesis from ketones, transfer hydrogenation (TH) reactions are convenient compared to conventional hydrogenation reactions owing to its lower activation energy and ambient pressure and mild temperature reaction" conditions. The synthesized catalysts were characterized by CHN analysis, XRD, ICP, N-2-sorption analysis, TG \& DTA, FFIR,C-13 \& 29Si solid NMR, UV-vis, TEM, SEM and XPS. The catalytic activities of neat [Ru(II)C-12(p-cymene)]2 complex and Ru(II)Cym@PMOB were evaluated in transfer hydrogenation (TH) of ketones (-97\%) and compared with conventional hydrogenation reactions (-5\%) where molecular H-2 was used. The results showed Ru(II)Cym@PMOB as highly active catalyst towards transfer hydrogenation (TH) reaction of acetophenones compared to neat [Ru(II)Cl-2(p-cymene)(12) complex. The heterogeneity of Ru(II)Cym@PMOB was confirmed by Sheldon{\textquoteright}s test. (C) 2017 Elsevier B.V. All rights reserved.}, keywords = {Conventional Hydrogenation Reactions, Ru(II)Cym@PMOB, Transfer Hydrogenation Reaction, [Ru(II)Cl2(p-cymene)]2 complex}, doi = {10.1016/j.mcat.2017.07.018}, author = {Lazar, Anish and Silpa, S. and Prabhakaran, Vinod C. and Singh, A. P.} } @article {43948, title = {Heterogeneously catalyzed domino synthesis of 3-indolylquinones involving direct oxidative C-C coupling of hydroquinones and indoles}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {MAY}, chapter = {2238-2247}, abstract = {

A domino synthesis of 3-indolylquinones was achieved successfully via direct oxidative C{\textendash}C coupling of hydroquinones with indoles over Ag2O and Fe3O4/povidone{\textendash}phosphotungstic acid (PVP{\textendash}PWA) catalysts using H2O2\ in tetrahydrofuran at room temperature. Ag2O catalyzed the in situ oxidation of hydroquinone and 3-indolylhydroquinone intermediates, whereas ferrite solid acid, Fe3O4/PVP{\textendash}PWA, with a 1:4:1 ratio of Fe3O4, PVP, and PWA, catalyzed the activation of quinones. The efficiency of this catalytic domino approach was established by a broad scope of substrates involving a variety of hydroquinones and quinones to give high yields (81{\textendash}97\%) of 3-indolylquinones. Fe3O4/PVP{\textendash}PWA was separated magnetically, whereas simple filtration could separate Ag2O, both of which could be recycled several times without losing their activities.
}, keywords = {Carbonyl compounds (organic); Electron microscopy; Fourier-transform spectroscopy; Redox reaction}, doi = {10.1021/acsomega.7b00201}, author = {Kamble, Sumit B.; and Vyas, Praneet P. and Jayaram, Radha V.; and Rode, Chandrashekhar V.} } @article {43850, title = {Hexaphosphate-derived phosphorus-functionalized carbon for lithium-ion battery anode}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {JUL}, pages = {5600-5607}, type = {Article}, abstract = {
We show that high-temperature annealing of a dried hexaphosphate, namely phytic acid, renders activated (micro-porous) and phosphorus-functionalized graphene like carbon in a one-step process. At high enough temperature few volatile phosphates serve as porogen-forming entities while other groups reactively functionalize the carbon surface. The optimized material has high effective surface area due to the presence of defect states. As an anode material for Li-ion battery, it exhibits a reversible capacity that is double that of the graphite and is stable for 1000 cycles even at a high current of 5 A g(-1). This result is attributed to the concurrent presence of micropores and phosphorus containing groups in the carbon matrix.
}, doi = {10.1002/slct.201700909}, author = {Gawli, Yogesh and Wahid, Malik and Fernandez, Rohan and Kothari, Dushyant and Shelke, Manjusha and Ogale, Satishchandra B.} } @article {43841, title = {Hidden electrostatic basis of dynamic allostery in a PDZ domain}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {114}, year = {2017}, month = {JUL}, pages = {E5825-E5834}, type = {Article}, abstract = {Allosteric effect implies ligand binding at one site leading to structural and/or dynamical changes at a distant site. PDZ domains are classic examples of dynamic allostery without conformational changes, where distal side-chain dynamics is modulated on ligand binding and the origin has been attributed to entropic effects. In this work, we unearth the energetic basis of the observed dynamic allostery in a PDZ3 domain protein using molecular dynamics simulations. We demonstrate that electrostatic interaction provides a highly sensitive yardstick to probe the allosteric modulation in contrast to the traditionally used structure-based parameters. There is a significant population shift in the hydrogen-bonded network and salt bridges involving side chains on ligand binding. The ligand creates a local energetic perturbation that propagates in the form of dominolike changes in interresidue interaction pattern. There are significant changes in the nature of specific interactions (nonpolar/polar) between interresidue contacts and accompanied side-chain reorientations that drive the major redistribution of energy. Interestingly, this internal redistribution and rewiring of side-chain interactions led to large cancellations resulting in small change in the overall enthalpy of the protein, thus making it difficult to detect experimentally. In contrast to the prevailing focus on the entropic or dynamic effects, we show that the internal redistribution and population shift in specific electrostatic interactions drive the allosteric modulation in the PDZ3 domain protein.}, doi = {10.1073/pnas.1705311114}, author = {Kumawat, Amit and Chakrabarty, Suman} } @article {45747, title = {High magnetostriction parameters of sintered and magnetic field annealed Ga-substituted CoFe2O4}, journal = {Materials Letters}, volume = {192}, year = {2017}, month = {APR }, pages = {169-172}, type = {Article}, abstract = {
Impact of substitution of the non-magnetic ion Ga3+ for Fe3+ on the magnetostriction parameters of CoFe2O4 has been investigated for samples prepared by a tartrate-gel method. All the Ga-substituted compositions in CoGaxFe2-xO4 (0 \<= x \<= 0.3) showed higher strain sensitivity (d lambda/dH), at low magnetic fields, compared to that of the unsubstituted sample. The magnetostriction strain (lambda) and d lambda/dH of the composition CoGa0.1Fe1.9O4 could be enhanced from -228 to -296 ppm and -2.20 x 10(-9) to -3.55 x 10(-9) miA, respectively, at low magnetic fields, after magnetic field annealing at 300 degrees C. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Cobalt ferrite, Magnetic field annealing, Magnetic materials, Magnetostriction, Substitution}, issn = {0167-577X}, doi = {10.1016/j.matlet.2016.12.031}, author = {Anantharamaiah, P. N. and Joy, P. A.} } @article {43988, title = {High quality hybrid perovskite semiconductor thin films with remarkably enhanced luminescence and defect suppression via quaternary alkyl ammonium salt based treatment}, journal = {Advanced Materials Interfaces}, year = {2017}, month = {JUL}, type = {Article}, abstract = {Significant enhancement in the luminescence and superior photophysical properties of CH3NH3PbBr3 thin films prepared via simple single step spin coating process involving a novel additive mediated solvent extraction step is reported. This process results in significantly lower disorder in CH3NH3PbBr3 perovskites with Urbach energies reducing from ≈35 to ≈17 meV, which is the lowest reported value to date. The additive mediated process also results in a remarkable improvement in the photoluminescence quantum yields (PLQYs) from 1\% to 30\%. Coupled with the overall increase in surface roughness, a significant increase in the internal PLQY from 7\% to 77\% is estimated, indicating the superior quality of the treated thin films. The resultant high quality CH3NH3PbBr3 perovskites with remarkable photophysical properties can be used in realizing highly efficient optoelectronic devices. Highly efficient light emitting diodes using these perovskites are demonstrated here.}, doi = {10.1002/admi.201700562}, author = {Naphade, Rounak A. and Zhao, Baodan and Richter, Johannes M. and Booker, Edward and Krishnamurthy, Shrreya and Friend, Richard H. and Sadhanala, Aditya and Ogale, Satishchandra B.} } @article {44130, title = {High-level supercapacitive performance of chemically reduced graphene oxide}, journal = {Chem}, volume = {3}, year = {2017}, month = {NOV}, pages = {846-860}, type = {Article}, abstract = {Reduction of graphene oxide (GO) is an important process because it holds promise for the production of reduced graphene oxide (rGO) with physicochemical properties similar to those of pristine graphene. In conventional chemical reduction, strong reducing agents, such as sodium borohydride and hydrazine, cannot be recycled. Also, fast reaction kinetics bring an imbalance in the desirable properties of rGO. Here, we present one-pot chemical reduction of GO in aqueous medium by an unconventional mild reducing agent (FeCl2/HCl) where rGOis isolated as the precipitate and the reducing agent is recycled upon simple treatment of the filtrate with HCl. The fabricated all-solid-state supercapacitors of as-synthesized rGO exhibited significantly higher specific capacitance than those obtained with rGO derived from conventional reducing agents. The cycling stability of the all-solid-state supercapacitor (> 80\% retention of capacitance beyond 100,000 continued cycles) and its flexibility (> 500 bending cycles) were remarkable. Use of commercially available organic electrolyte further boosted the supercapacitor performance.}, doi = {10.1016/j.chempr.2017.08.011}, author = {Jha, Plawan Kumar and Singh, Santosh Kumar and Kumar, Vikash and Rana, Shammi and Kurungot, Sreekumar and Ballav, Nirmalya} } @article {43822, title = {Highly active recyclable SBA-15-EDTA-Pd catalyst for Mizoroki-Heck, Stille and Kumada C-C coupling reactions}, journal = {Journal of Porous Materials}, volume = {24}, year = {2017}, month = {AUG}, pages = {837-846}, type = {Article}, abstract = {Highly efficient SBA-15-EDTA-Pd(11) heterogeneous catalyst was synthesized by covalent anchoring Pd-EDTA complex over organo-modified surface of SBA-15. SBA-15-EDTA-Pd(11) catalyst was found to exhibit excellent catalytic activity in appreciable yield for Heck, Stille and Kumada cross-coupling reactions. Catalytic system exhibited excellent activity for completion of reaction, isolation, Pd loading (0.87 mmol\%) and yields of products as compared to earlier reported heterogeneous supported Pd catalysts. Covalently anchored heterogeneous SBA-15-EDTA-Pd(11) catalyst can be recycled for more than five times without noticeable loss in activity and selectivity.}, doi = {10.1007/s10934-016-0323-8}, author = {Rathod, Jayant and Sharma, Priti and Pandey, Punam and Singh, A. P. and Kumar, Pradeep} } @article {43943, title = {High-Performance Sensing Behavior Using Electronic Ink of 2D SnSe2 Nanosheets.}, journal = {Chemistry Select}, volume = {2}, year = {2017}, month = {MAY}, chapter = {4068-4075}, abstract = {
Most of the recent research work on layered chalcogenides is understandably focused on single atomic layers. However, it is uncertain if the single layer units are most ideal structures for enhanced gas-solid interactions. To probe this concern, we have synthesized few layer thick SnSe2\ nanosheets ink using liquid exfoliation method. The morphology, thickness / layering and elemental analysis of the sheets were characterized by using SEM, TEM, AFM, Raman spectroscopy and by XPS. The two dimensional (2D) SnSe2\ nanosheets sensor device with different thicknesses was assessed for the humidity and gas sensing performances with exposure to humidity in different conditions. The results show that compared to the bulk / thicker counterpart, sensor device of few SnSe2\ layers exhibit excellent sensitivity, recovery and ability to be tune the sensing performance with thickness and can be used in lab on chip devices.
}, doi = {10.1002/slct.201700261}, author = {Pawar, Mahendra and Kadam, Sunil and Late, Dattatray J.} } @article {43881, title = {High-throughput mass spectrometry analysis revealed a role for glucosamine in potentiating recovery following desiccation stress in chironomus}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {JUN}, pages = {Article Number: 3659}, type = {Article}, abstract = {Desiccation tolerance is an essential survival trait, especially in tropical aquatic organisms that are vulnerable to severe challenges posed by hydroperiodicity patterns in their habitats, characterized by dehydration-rehydration cycles. Here, we report a novel role for glucosamine as a desiccation stress-responsive metabolite in the underexplored tropical aquatic midge, Chironomus ramosus. Using high-throughput liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QToF-MS) analysis, biochemical assays and gene expression studies, we confirmed that glucosamine was essential during the recovery phase in C. ramosus larvae. Additionally, we demonstrated that trehalose, a known stress-protectant was crucial during desiccation but did not offer any advantage to the larvae during recovery. Based on our findings, we emphasise on the collaborative interplay of glucosamine and trehalose in conferring overall resilience to desiccation stress and propose the involvement of the trehalose-chitin metabolic interface in insects as one of the stress-management strategies to potentiate recovery post desiccation through recruitment of glucosamine.}, doi = {10.1038/s41598-017-03572-5}, author = {Thorat, Leena and Oulkar, Dasharath and Banerjee, Kaushik and Gaikwad, Sushama M. and Nath, Bimalendu B.} } @article {45695, title = {Hyaluronic acid layered chimeric nanoparticles: targeting MAPK-P13K signaling hub in colon cancer cells}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {NOV}, pages = {7868-7880}, type = {Article}, abstract = {
Colon cancer has emerged as one of the most devastating diseases in the whole world. Mitogen-activated protein kinase (MAPK)-phosphatidylinsitol-3-kinase (PI3K) signaling hub has gained lots of attention due to its deregulation in colon cancer cells. However, selective targeting of oncogenic MAPK-PI3K hub in colon cancer has remained highly challenging, hence it has mostly been unexplored. To address this, we have engineered a hyaluronic acid layered lipid-based chimeric nanoparticle (HA-CNP) consisting of AZD6244 (MAPK inhibitor), PI103 (PI3K inhibitor), and cisplatin (DNA impairing drug) ratiometrically in a single particle. Electron microscopy (field emission scanning electron microscopy and atomic force microscopy) and dynamic light scattering were utilized to characterize the size, shape, morphology, and surface charge of the HA-CNPs. Fluorescent confocal laser scanning microscopy and flow cytometry analysis confirmed that HA-CNPs were taken up by HCT-116 colon cancer cells by merging of clathrin and CD44 receptor-mediated endocytosis along with macropinocytosis to home into acidic organelles (lysosomes) within 1 h. A gel electrophoresis study evidently established that HA-CNPs simultaneously inhibited MAPK-PI3K signaling hub with DNA damage in HCT-116 cells. These HA-CNPs stalled the cell cycle into G0/G1 phase, leading to induction of apoptosis (early and late) in colon cancer cells. Finally, these HA-CNPs exerted remarkable cytotoxicity in HCT-116 colon cancer cells at 24 h compared to that of the free triple drug cocktail as well as HA-coated dual drug-loaded nanoparticles without showing any cell death in healthy L929 fibroblast cells. These HA-coated CNPs have potential to be translated into clinics as a novel platform to perturb various oncogenic signaling hubs concomitantly toward next-generation targeted colon cancer therapy.
}, issn = {2470-1343}, doi = {10.1021/acsomega.7b01315}, author = {Palvai, Sandeep and Kuman, Meenu Mahesh and Sengupta, Poulonu and Basu, Sudipta} } @article {42931, title = {Hybrid equation-of-motion coupled-cluster/effective fragment potential method: a route toward understanding photoprocesses in the condensed phase}, journal = {Journal of Physical Chemistry A}, volume = {121}, year = {2017}, month = {DEC}, pages = {741-752}, type = {Article}, abstract = {
The prediction of accurate solvatochromic shifts to the electronic excited states of chromophores is a challenge, especially in the complex biological phase, due to the importance of long-range electrostatic interactions. Hybrid quantum mechanical/molecular mechanical (QM/MM) methods are generally employed for the calculation of quantum mechanical properties in complex systems. To be predictive, there is need for an accurate quantum mechanical method that can depict the charge transfer states correctly and incorporate higher than single excited determinants in its linear response ansatz. On the contrary, for the correct depiction of the environment interactions (MM region), one needs to account for polarizability in a balanced manner. These two challenges are successfully addressed by the recently developed hybrid quantum mechanical/effective fragment potential (QM/EFP) methods, with equation-of-motion coupled-cluster (EOM-CC) as the QM method of choice. The result is an efficient method to estimate excitation energy, ionization energy, electron affinity, and redox potential in the condensed phase. It has further been extended to biological systems.
}, doi = {10.1021/acs.jpca.6b08263}, author = {Ghosh, Debashree} } @article {43264, title = {Hybrids of thienopyrimidinones and thiouracils as anti-tubercular agents: SAR and docking studies}, journal = {European Journal of Medicinal Chemistry}, volume = {127}, year = {2017}, month = {JAN}, abstract = {
A number of hybrid molecules containing thienopyrimidinones and thiouracil moieties were designed, synthesized and tested against Mycobacterium tuberculosis H37Ra wherein it was observed that the compounds 11-1514 exhibited antitubercular activity in vitro (MIC 7.6{\textendash}19.1 μg/ml, 12{\textendash}35 μM) against dormant stage while compound 15 exhibited antitubercular activity in vitro against dormant (MIC 23.4 μg/ml, 41 μM) as well as active (MIC 25.4 μg/ml, 45 μM) stage. Structural modifications of compound 15 were carried out to study the structure-activity relationship and it was observed that compound 18 exhibited antitubercular activity comparable to compound 15. Cytotoxicity studies revealed that these molecules were non-toxic. The docking study of compound 15 showed that there was binding with the active site of mycobacterial pantothenate synthetase. Further docking studies led to the synthesis of the compounds 16 and 17 and the antitubercular activity screening results showed that these compounds have significant antitubercular activity. The compounds 15-18 (MIC 11{\textendash}29 μg/ml, 19{\textendash}51 μM) can be used as starting points for further optimization. The synthetic strategies used in the present work have potential to prepare a large number of compounds for further refinement of structures and the present results will be very useful in the development of a new class of antimycobacterial agents.
}, doi = {10.1016/j.ejmech.2017.01.009}, author = {Pisal, Mahesh M. and Nawale, Laxman U. and Patil, Manoj and Bhansali, Sujit G. and Gajbhiye, Jayant M. and Sarkar, Dhiman and Chavan, Subhash P. and Borate, Hanumant B.} } @inbook {45822, title = {Hydrogen bonding in molecular crystals}, booktitle = {Comprehensive Supramolecular Chemistry II}, volume = {7}, year = {2017}, pages = {25-48}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, chapter = {Hydrogen Bonding in Molecular Crystals}, address = {Singapur}, abstract = {The hydrogen bond is an important intermolecular interaction in chemical, biological, and materials systems. A proper understanding of noncovalent interactions, notably hydrogen bonds between molecules in supramolecular aggregates, is essential for the design of crystalline materials and new supramolecular systems with desired physical and chemical properties. The International Union of Pure and Applied Chemistry provided a broadly acceptable and yet fairly precise definition of the hydrogen bond in 2011. Knowledge of weak intermolecular interactions and hydrogen bonding has immediate applications in the discovery of new medicines and in the development of novel and biocompatible pharmaceutical products and implants for the next wave of innovations. In this article, we summarize a tutorial background of the hydrogen-bond interaction and then present examples of molecular crystals sustained by this interaction and the role of hydrogen bonding in directing the structural organization. The examples are meant to illustrate the different facets of hydrogen bonding in crystal structures, their design, and properties. We close with some of the new techniques for structure determination for very small or weakly diffracting crystals, as is often the case for supramolecular materials and pharmaceutical products.}, isbn = {978-012803199-5}, doi = {10.1016/B978-0-12-409547-2.12598-3}, author = {Thakuria, R. and Sarma, B. and Nangia, A.} } @article {44017, title = {Hydrogen production from reforming of biogas: review of technological advances and an Indian perspective}, journal = {Renewable and Sustainable Energy Reviews}, volume = {76}, year = {2017}, month = {SEP}, pages = {1032-1052}, type = {Journal Article}, abstract = {
This paper examines the benefits and potential of biogas generation and uses in India, with focus on advances made in hydrogen production by catalytic reforming technologies with steam, O2, and CO2 as the oxidants. Utilization of biomass by means of generating biogas is one of the easiest and cost effective methods of harnessing renewable energy. As India is an agricultural country, a tremendous amount of biomass and livestock waste is generated every year. Likewise the large population of India generates much food and municipal solid waste that is not being utilized for biogas generation. Fuel cells are one of the effective means of utilizing biogas, although the synthesis gas or hydrogen generated from biogas can also be used in internal combustion engines. Higher efficiency of fuel cells (45\%) compared to internal combustion engines (30\%) and even higher with co-generation systems (70\%) make them highly desirable for biogas utilization for power generation. Investigations of hydrogen productionfor fuel cell use are in their infancy stage in India. Apart from a few scattered investigations not much work has been undertaken in the area of research. Large scale hydrogen production is achieved by steam reforming of hydrocarbons, in particular natural gas. Although the process is a proven technology it has come under considerable scrutiny due to its environmental impact and the energy intensive nature of the process. Several technical and scientific challenges have to be overcome for assimilation of the technology for hydrogen production from biogas and wide scale application in India. These challenges include development of less energy intensive features, highly active and poisons-resistant catalyst, and fuel cell development for utilization of biogas generated hydrogen. Hydrogen production from reforming of biogas: Review of technological advances and an Indian perspective. Available from: https://www.researchgate.net/publication/315896154_Hydrogen_production_from_reforming_of_biogas_Review_of_technological_advances_and_an_Indian_perspective [accessed Oct 16 2017].
}, doi = {10.1016/j.rser.2017.02.031}, author = {Nahar, G. and Mote, D. and V. Dupont} } @article {45662, title = {Hydrogenolysis of sorbitol over Ni, Pt and Ru supported on SBA-15}, journal = {Indian Journal of Chemistry. Section A: Inorganic, Physical, Theoretical \& Analytical Chemistry}, volume = {56 }, year = {2017}, month = {FEB}, pages = {226-231}, type = {Article}, abstract = {Hydrogenolysis of sorbitol (15\% aqueous solution) has been carried out in a batch reactor over Ni (6 wt\%), Pt (1 wt\%) and Ru (1 wt\%) supported on SBA-15 and carbon coated SBA-15 (SBA-15(C)). For comparison, the three metals have also been supported on activated carbon (AC). The catalysts are characterized by XRD, N-2 and H-2 adsorption measurements. Addition of Ca(OH)(2) to the reaction mixture increases conversion and selectivity for the dihydroxy compounds, 1,2-propanediol (PD) and ethylene glycol (EG). Based on yield of dihydric alcohols (PD+EG), the performance of the catalysts at 220 degrees C and 60 bar in the presence of Ca(OH)(2) is in the order: Ru-AC similar to Ru-SBA-15(C) > Ru-SBA-15 similar to Ni-SBA-15, the yields being 40, 39, 31 and 29 wt\%, respectively.}, url = {http://nopr.niscair.res.in/handle/123456789/40903}, author = {Banu, M. and Sankaranarayanan, T. M. and Venuvanalingam, P. and Magesh, G. and Sivasanker, S.} } @article {44027, title = {Hydrothermally reduced nano porous graphene{\textendash}polyaniline nanofiber composites for supercapacitor}, journal = {FlatChem}, volume = {1}, year = {2017}, month = {JAN}, pages = {1-5}, type = {Article}, abstract = {Hydrothermally reduced porous graphene (PGs) and polyaniline (PANI) nanofiber composites (PGs?PANI) were prepared by interfacial polymerization of aniline in the presence of reduced porous graphene (PGs) under acidic conditions. Hydrothermal reduction of graphene oxide (GO) produced graphene quantum dots (GQDs) along with porous reduced graphene (PGs). The removal of nano sized GQDs generate several round shaped edges in the graphene, which facilitated improved charge storage. In addition to preparation of porous graphene, we developed an approach to process the PGs. We envisioned preparing conjugated polymer as processing material. The capacitive behavior of PGs was characterized using cyclic voltammetry (CV) and galvanostatic charge?discharge (GCD) techniques. The specific capacitance of hydrothermally reduced GO (PGs) and PGs?PANI composites was 185 F/g and 357 F/g at 0.1 A/g in 1 M H2SO4 electrolyte. The energy density of PGs?PANI composite was obtained 49.58 W h/kg at a power density of 71.8 W/kg.}, doi = {10.1016/j.flatc.2016.08.001}, author = {Chini, Mrinmoy Kumar and Chatterjee, Shyambo} } @article {44141, title = {Identification and functionality prediction of pathogenesis-related protein 1 from legume family}, journal = {Proteins-Structure Function and Bioinformatics}, volume = {85}, year = {2017}, month = {NOV}, pages = {2066-2080}, type = {Article}, abstract = {The production and accumulation of pathogenesis-related (PR) proteins in plants is one of the important responses to biotic and abiotic stress. Large number of identified PR proteins has been categorized into 17 functional families based on their structure, phylogenetics, and biological activities. However, they are not widely studied in legume crops. Using 29 PR1 proteins from Arabidopsis thaliana, as query, here we have predicted 92 candidate PR1 proteins through the PSI-BLAST and HMMER programs. These candidate proteins were comprehensively analyzed with, multiple sequence alignment, domain architecture studies, signal peptide, and motif extraction followed by phylogenetic analysis. Further, response of two candidate PR1 proteins from chickpea against Fusarium oxysporum f.sp.ciceri attack was validated using qRT-PCR followed by their 3D structure prediction. To decipher mode of action for PR1s, docking of pathogen extracellular matrix components along with fungal elicitors was performed with two chickpea PR1 proteins. Based on these findings, we propose carbohydrate to be the unique pathogen-recognition feature for PR1 proteins and beta-glucanase activity via beta-glucan binding or modification.}, doi = {10.1002/prot.25361}, author = {Tellis, Meenakshi and Mathur, Monika and Gurjar, Gayatri and Kadoo, Narendra and Gupta, Vidya} } @article {43744, title = {Identification and synthesis of mycalol analogues with improved potency against anaplastic thyroid carcinonia cell lines}, journal = {Journal of Natural Products}, volume = {80}, year = {2017}, month = {APR}, pages = {1125-1133}, type = {Article}, abstract = {The marine metabolite mycalol (1) has a specific inhibitory activity on cells of anaplastic thyroid carcinoma (ATC), a very aggressive and rare cancer that does not have effective conventional therapy. In this study, we describe six new related analogues (2-7) that differ in the length of the terminal alkyl residue and the presence of acetate or 3S-hydroxybutyrate (3S)-3HB as a substituent at C-19. Despite the structural{\textquoteright} analogies, some of the new members were significantly more-cytotokic than 1 on cell lines,derivecl from human ATC. Structures inclusive of the 2{\textquoteright}R,3R,4S,7R,8S,19R absolute configuration were asigned to 2-7 on the basis of detailed spectroscopic analysis, synthesis of different isomers, and application of ECD and Mosher{\textquoteright}s methods. This work led to the identification of mycal61-578 (3) as the most potent analogue, with an IC50 of 2.3 mu M on FRO cells:}, doi = {10.1021/acs.jnatprod.7b00043}, author = {Cutignano, Adele and Seetharamsingh, B. and D{\textquoteright}Angelo, Daniela and Nuzzo, Genoveffa and Khairnar, Pankaj V. and Fusco, Alfredo and Reddy, D. Srinivasa and Fontana, Angelo} } @article {43556, title = {Identification of biomolecules involved in the biosynthesis of gold nanoparticles from living peanut seedlings}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {17}, year = {2017}, month = {MAR}, pages = {1787-1795}, abstract = {In present work, we have fabricated gold nanoparticles by treating an aqueous solution of 10(-4) M HAuCl4 with the proteins extracted from roots of in vitro raised peanut seedlings and purified them by FPLC at room temperature. These proteins which tested positive for the reduction of 10(-4) M HAuCl4 were identified as Mannose glucose binding lectin and Ara h 8 allergen isoforms by ESI MS/MS. It is a well known fact that aromatic amino acids possess delocalized pi electrons in their ring structures, rendering them as the best electron donors which can transfer electrons and reduce the acceptor. These results suggest that the aromatic amino acids present in the proteins from the peanut seedlings are the primary biomolecules involved in the reduction of Au (III) to Au (0). We isolated different protein of molecular weight 16.4, 28.3 and 30 kDa involved in the formation of nanoparticles. The protein with molecular weight 16.4 kDa (allergens) yielded NPs of 25-60 nm whereas, the proteins with molecular weight 28.3 kDa and 30 kDa (lectins) yielded highly monodispersed NPs of 5-20 nm in size. The results clearly indicate that the size of nanoparticles can be controlled by different proteins.}, doi = {10.1166/jnn.2017.12879}, author = {Raju, D. and Siddiqui, Ejaz Ahmad and Prasanth, S. and Khan, Bashir M. and Mehta, Urmil J. and Ahmad, Absar} } @article {43826, title = {Identification of new anti-inflammatory agents based on nitrosporeusine natural products of marine origin}, journal = {European Journal of Medicinal Chemistry}, volume = {135}, year = {2017}, month = {JUL}, pages = {89-109}, type = {Article}, abstract = {Nitrosporeusines A and B are two recently isolated marine natural products with novel skeleton and exceptional biological profile. Interesting antiviral activity of nitrosporeusines and promising potential in curing various diseases, evident from positive data from various animal models, led us to investigate their anti-inflammatory potential. Accordingly, we planned and synthesized nitrosporeusines A and B in racemic as well as enantiopure forms. The natural product synthesis was followed by preparation of several analogues, and all the synthesized compounds were evaluated for in vitro and in vivo anti-inflammatory potential. Among them, compounds 25, 29 and 40 significantly reduced levels of nitric oxide (NO), reactive oxygen species (ROS) and pro-inflammatory cytokines. In addition, these compounds suppressed several pro-inflammatory mediators including inducible nitric oxide synthase (iNOS), cyclooxygenase-2 (COX-2), nuclear factor-kappa B (NF -kappa B), and thereby can be emerged as potent anti-inflammatory compounds. Furthermore, all possible isomers of lead compound 25 were synthesized, characterized and profiled in same set of assays and found that one of the enantiomer (-)-25a was superior among them. (C) 2017 Elsevier Masson SAS. All rights reserved.}, doi = {10.1016/j.ejmech.2017.04.015}, author = {Philkhana, Satish Chandra and Verma, Abhishek Kumar and Jachak, Gorakhnath R. and Hazra, Bibhabasu and Basu, Anirban and Reddy, D. Srinivasa} } @article {43925, title = {Impact of rare-earth metal oxide (Eu 2 O 3 ) on the electrochemical properties of a polypyrrole/CuO polymeric composite for supercapacitor applications}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {MAR}, pages = {20037-20048}, type = {Article}, abstract = {A ternary composite of polypyrrole/copper oxide/europium oxide (PPY/CuO/Eu2O3), synthesized via a facile in situ chemical oxidative polymerization method, exhibits the maximum specific capacitance of 320 F g$^{-}${\textonesuperior} at the current density of 1 A g$^{-}${\textonesuperior}. Incorporation of the rare-earth metal oxide Eu2O3 in the PPY/CuO matrix can promote charge transportation in the resulting ternary nanocomposite by enhancing the porosity. The interconnected mesoporous networks reduce the internal resistance and the charge transfer resistance (Rct) of the composite electrode material. Moreover, the incorporation of Eu2O3 in the PPY/CuO provides support to the fragile polymer backbone resulting in an excellent cycle stability and a markedly enhanced thermal stability. These together with the exhibition of an excellent coulombic efficiency demonstrates that incorporation of rare earth metal oxide can play a significant role in improving the performance of a polymeric composite opted as an electrode material for high-performance supercapacitor.}, doi = {10.1039/C7RA01438D}, author = {Majumder, Mandira and Choudhary, Ram Bilash and Thakur, Anukul. K. and Karbhal, Indrapal} } @article {43950, title = {Impact of science, technology and innovation on the economic and political power}, journal = {AI \& Society}, volume = {321}, year = {2017}, month = {MAY}, chapter = {243}, doi = {10.1007/s00146-015-0639-y}, author = {Mashelkar, Raghunath Anant} } @conference {45754, title = {Implementation of QbD for development of a downstream process for a therapeutic biosimilar}, booktitle = {253rd National Meeting of the American-Chemical-Society (ACS) on Advanced Materials, Technologies, Systems, and Processes}, year = {2017}, month = {APR }, publisher = {AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, organization = {AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, address = {San Francisco, CA}, author = {Rathore, Anurag and Bhambure, Rahul} } @article {43855, title = {Improved tolerance against helicoverpa armigera in transgenic tomato over-expressing multi-domain proteinase inhibitor gene from capsicum annuum}, journal = {Physiology and Molecular Biology of Plants}, volume = {23}, year = {2017}, month = {JUL}, pages = {597-604}, type = {Article}, abstract = {Plant proteinase inhibitors (PIs) are plant defense proteins and considered as potential candidates for engineering plant resistances against herbivores. Capsicum annuum proteinase inhibitor (CanPI7) is a multi-domain potato type II inhibitor (Pin-II) containing four inhibitory repeat domains (IRD), which target major classes of digestive enzymes in the gut of Helicoverpa armigera larvae. Stable integration and expression of the transgene in T1 transgenic generation, were confirmed by established molecular techniques. Protein extract of transgenic tomato lines showed increased inhibitory activity against H. armigera gut proteinases, supporting those domains of CanPI7 protein to be effective and active. When T1 generation plants were analyzed, they exhibited antibiosis effect against first instar larvae of H. armigera. Further, larvae fed on transgenic tomato leaves showed delayed growth relative to larvae fed on control plants, but did not change mortality rates significantly. Thus, better crop protection can be achieved in transgenic tomato by overexpression of multi-domain proteinase inhibitor CanPI7 gene against H. armigera larvae.}, doi = {10.1007/s12298-017-0456-5}, author = {Tanpure, Rahul S. and Barbole, Ranjit S. and Dawkar, Vishal V. and Waichal, Yashashree A. and Joshi, Rakesh S. and Giri, Ashok P. and Gupta, Vidya S.} } @article {44401, title = {In situ grown nickel nanoparticles in a calixarene nanoreactor on a graphene-MoS2 support for efficient water electrolysis}, journal = {Sustainable Energy \& Fuels}, volume = {1}, year = {2017}, month = {AUG}, pages = {1329-1338}, abstract = {Electrochemical production of hydrogen, facilitated in electrolysers, holds great promise for energy storage and solar fuel production. Catalysis of the oxygen evolution reaction (OER) is a bottleneck of this process. However, the sluggish OER kinetics and the utilization of precious metal catalysts are key obstacles in the broad deployment of this energy technology. We report the preparation and use of an inexpensive GrMoS(2)SC(8)Ni nanocomposite material as a highly effective OER catalyst in an alkaline electrolyte. Experimental investigations have shown that improvements can be realized in the catalytic performance of Ni metal if it is a component of the composite material. We propose an explanation for these enhancements based on a hydrogen acceptor concept. This concept comprises the stabilization of an *-OOH intermediate, which effectively lowers the potential needed for breaking bonds on the surface. Herein, an inexpensive immobilized SC8 layer was used as the nanoreactor to synthesize metallic Ni nanoparticles (NPs) through an in situ redox process. The process was applied to form immobilized NPs on flat and curved 2D surfaces. The outstanding OER performance of Ni NPs could be attributed to their large surface area, efficient mass and charge transport, and high structural stability arising from the unique SC8 cage structure, built on the GrMoS(2) substrate. The GrMoS(2)SC(8)Ni nanocomposite shows the highest activity, exhibiting a 214 mV overpotential at 10 mA cm(-2) (equivalent to 10\% efficiency of solarto-fuel conversion) and a Tafel slope of 31 mV dec(-1) in 1 M KOH solution. It further demonstrates high stability as there is no apparent OER activity loss (based on a chronoamperometry test) or particle aggregation (based on SEM image observation) after a 10 h anodization test. The facile preparation method and high efficiency and durability enable this electrocatalyst to be a promising candidate for future large-scale applications in water splitting. Thus, this work opens a new avenue toward the development of highly efficient, inexpensive OER catalysts.}, doi = {10.1039/c7se00190h}, author = {Waghmode, Babasaheb J. and Bhange, Siddheshwar N. and Unni, SreeKuttan M. and Patil, Kashinath R. and Malkhede, Dipalee D.} } @article {43820, title = {Increasing light coupling in a photovoltaic film by tuning nanoparticle shape with substrate surface energy}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {AUG}, pages = {Article Number: 085022}, type = {Article}, abstract = {Tuning metal nanoparticle (MNP) contact angle on the surface it is formed can help maximise the useful optical coupling in photovoltaic films by localized surface plasmon (LSP) resonance-opening up the possibility of building improved photovoltaic cells. In this work experimental demonstration of optical absorption increase in copper phthalocyanine (CuPc) films by tuning silver MNP shape by changing its contact angles with substrate has been reported. Thin films of poly3,4 ethylenedioxythiophene: sodium dodecycl sulphate (PEDOT: SDS) with different surface energies were formed on indium tin oxide (ITO) coated glass by electro-deposition. Silver MNPs thermally evaporated directly on ozonised ITO as well as on the PEDOT: SDS films showed contact angles ranging from 60 degrees to 125 degrees. The CuPc layer was deposited on top of the MNPs. For the samples studied, best optical absorption in the CuPc layer was for a contact angle of 110 degrees.}, doi = {10.1088/2053-1591/aa8275}, author = {Kataria, Devika and Krishnamoorthy, Kothandam and Iyer, S. Sundar Kumar} } @article {44014, title = {Influence of carbon based supports on selectivity behavior of diols and propanol in Ru catalyzed glycerol hydrogenolysis}, journal = {Applied Catalysis B: Environmental}, volume = {204}, year = {2017}, month = {MAY}, chapter = {134-146}, abstract = {
Activated carbon (AC) and three graphite materials were studied as supports for Ru catalyzed glycerol hydrogenolysis to propanediols and 1-propanol. Structural characteristics of AC and graphite materials were found to greatly affect the reducibility and particle size of supported Ru and hence, the activity and product distribution in glycerol hydrogenolysis. XRD of graphite materials showed distinctly (002) plane having highly organized layered structure and the peak intensity decreased in the order of Ru/KS150 \> Ru/HSAG100 \> Ru/KS6 due to decrease in the graphite sheet thickness. In Raman, the intense D band in HSAG100 compared to that in KS6 and KS150 samples indicated its highly amorphous nature or mixed carbon hybridization. Glycerol conversion for Ru on AC was higher than that on graphite and among different graphites, it showed a descending activity order of Ru/KS6 \> Ru/HSAG100 \> Ru/KS150. The product distribution for AC and HSAG100 supported Ru was similar, giving 1-propanol (45\%) alongwith 1,2-propanediol (1,2-PDO) (37\%) and 1,3-propanediol (1,3-PDO) (9{\textendash}11\%). For graphite supports, availability of Ru although bigger in size (4{\textendash}5 nm), would be higher on the surface than in case of AC which formed deep hydrogenolysis products like 1-, 2- propanol, ethanol etc.
}, keywords = {activated carbon, Amorphous carbon, catalysis, Glycerol, Glycerol conversions, Glycerol hydrogenolysis, graphite composites, Graphite supports, Hydrogenolysis, Hydrolysis, layered structures, Particle size, Product distributions, Propanediols, Propanol, Selectivity behavior, Structural characteristics, Structural effect, Structural effects}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2016.11.032}, author = {Mane, Rasika B. and Patil, S. and Shirai, Masayuki and Rayalu, Sadhana S. and Rode, Chandrashekhar V.} } @article {43946, title = {Influence of hyperglycemic conditions on self-association of the alzheimer{\textquoteright}s amyloid beta (a beta(1-42)) peptide}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {MAY}, chapter = {2134-3147}, abstract = {

Clinical studies have identified a correlation between type-2 diabetes mellitus and cognitive decrements en route to the onset of Alzheimer{\textquoteright}s disease (AD). Recent studies have established that post-translational modifications of the amyloid β (Aβ) peptide occur under hyperglycemic conditions; particularly, the process of glycation exacerbates its neurotoxicity and accelerates AD progression. In view of the assertion that macromolecular crowding has an altering effect on protein self-assembly, it is crucial to characterize the effects of hyperglycemic conditions via crowding on Aβ self-assembly. Toward this purpose, fully atomistic molecular dynamics simulations were performed to study the effects of glucose crowding on Aβ dimerization, which is the smallest known neurotoxic species. The dimers formed in the glucose-crowded environment were found to have weaker associations as compared to that of those formed in water. Binding free energy calculations show that the reduced binding strength of the dimers can be mainly attributed to the overall weakening of the dispersion interactions correlated with substantial loss of interpeptide contacts in the hydrophobic patches of the Aβ units. Analysis to discern the differential solvation pattern in the glucose-crowded and pure water systems revealed that glucose molecules cluster around the protein, at a distance of 5{\textendash}7 {\r A}, which traps the water molecules in close association with the protein surface. This preferential exclusion of glucose molecules and resulting hydration of the Aβ peptides has a screening effect on the hydrophobic interactions, which in turn diminishes the binding strength of the resulting dimers. Our results imply that physical effects attributed to crowded hyperglycemic environments are incapable of solely promoting Aβ self-assembly, indicating that further mechanistic studies are required to provide insights into the self-assembly of post-translationally modified Aβ peptides, known to possess aggravated toxicity, under these conditions.
}, keywords = {Conformation; Drug discovery and Drug delivery systems; Free energy; Glycoproteins; Molecular association; Molecular dynamics simulation}, doi = {10.1021/acsomega.7b00018}, author = {Menon, Sneha and Sengupta, Neelanjana} } @article {43857, title = {Influence of preparation method on activity and stability of Ni catalysts supported on Gd doped ceria in dry reforming of methane}, journal = {Journal of CO2 Utilization}, volume = {20}, year = {2017}, month = {JUL}, pages = {357-367}, type = {Article}, abstract = {Nickel catalysts supported on Gd doped ceria (NGDC), with various Ni content, were prepared through different preparation routes and evaluated for dry reforming of methane (DRM). Their detailed characterization revealed that method of preparation plays an important role in Ni dispersion, with catalysts prepared through co-precipitation showing high Ni dispersion. The co-precipitated 12NGDC-cp catalyst with 12 wt\% NiO was found to be superior in terms of high CO2 and CH4 conversions compared to catalysts prepared through citrate gel or impregnation methods Even H-2 and CO yields are high on this catalyst, while it shows excellent durability with stable activity even after 100 h on-stream. Thermogravimetric analysis of spent catalyst showed presence of coke, with transmission electron microscopic studies pointing to the presence of Ni crystallites at the mouth of the carbon whiskers. These Ni crystallites appear to be still active for DRM reaction. Among the spent catalysts, the carbon formation was high on catalysts that have bigger Ni crystallites, with the catalysts prepared through impregnation and citrate gel methods having higher coke. Investigations also reveal that the conversion of active (amorphous) carbon into stable (graphitic) carbon depends on the Ni crystallite size, temperature and duration of the reaction. These studies demonstrate that Gd doped ceria is a good support for Ni, to obtain high DRM activity and very good on-stream stability provided the catalysts are prepared through an appropriate method.}, doi = {10.1016/j.jcou.2017.06.014}, author = {Gurav, Hanmant R. and Dama, Srikanth and Samuel, Violet and Chilukuri, Satyanarayana} } @article {43651, title = {Influence of thermocleavable functionality on organic field-effect transistor performance of small molecules}, journal = {Chemical Physics Letters}, volume = {678}, year = {2017}, month = {JUN}, pages = {139-145}, abstract = {Diketopyrrolopyrrole based donor-acceptor-donor conjugated small molecules using ethylene dioxythiophene as a donor was synthesized. Electron deficient diketopyrrolopyrrole unit was substituted with thermocleavable (tert-butyl acetate) side chains. The thermal treatment of the molecules at 160 degrees C eliminated the tert-butyl ester group results in the formation of corresponding acid. Optical and theoretical studies revealed that the molecules adopted a change in molecular arrangement after thermolysis. The conjugated small molecules possessed p-channel charge transport characteristics in organic field effect transistors. The charge carrier mobility was increased after thermolysis of tert-butyl ester group to 5.07 x 10(-5) cm(2)/Vs. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cplett.2017.04.041}, author = {Mahale, Rajashree Y. and Dharmapurikar, Satej S. and Chini, Mrinmoy Kumar and Venugopalan, Vijay} } @article {43937, title = {Influences of functionalized nanoclays on morphology and mechanical properties of polyvinyl alcohol based composites by twin-screw extruder}, journal = {Polymer-Plastics Technology and Engineering}, volume = {56}, year = {2017}, month = {MAR}, type = {Article}, abstract = {Polyvinyl alcohol (PVA) based nanocomposites filled with different weight percentage of functionalized nanoclays were prepared by melt processing with a twin-screw extruder. The effective incorporation of amine modified bentonite nanoclays (AMB) in the PVA matrix leads to increase in thermal stability, stress-strain properties. The effect of addition of functionalized nanoclays in PVA matrix exhibits intercalated nanocomposite structure. The thermal decomposition (Td) temperature of the composites increases up to 30 {\textdegree}C, than pristine PVA. The morphology influences were studied by TEM. These clay nanocomposite films could be useful for wound dressing material and for enhancing the moisture absorbance properties.}, doi = {10.1080/03602559.2016.1236390}, author = {Rajeswari, B. and Malarvizhi, N. and Elumalai, Deenadayalan and Jaisankar, Sellamuthu N.} } @article {45668, title = {An innovative approach to enhance methane hydrate formation kinetics with leucine for energy storage application}, journal = {Applied Energy}, volume = {188}, year = {2017}, month = {FEB}, pages = {190-199}, type = {Article}, abstract = {Natural gas storage in dathrate hydrates or solidified natural gas (SNG) offers the safest, cleanest and the most compact mode of storage aided by the relative ease in natural gas (NG) recovery with minimal cost compared to known conventional methods of NG storage. The stochastic nature of hydrate nucleation and the slow kinetics of hydrate growth are major challenges that needs to be addressed on the SNG production side. A deterministic and fast nucleation coupled with rapid crystallization kinetics would empower this beneficial technology for commercial application. We propose a hybrid combinatorial approach of methane hydrate formation utilizing the beneficial aspect of environmentally benign amino acid (leucine) as a kinetic promoter by combining stirred and unstirred reactor operation. This hybrid approach is simple, can easily be implemented and scaled-up to develop an economical SNG technology for efficient storage of natural gas on a large scale. Added benefits include the minimal energy requirement during hydrate growth resulting in overall cost reduction for SNG technology. }, doi = {10.1016/j.apenergy.2016.12.002}, author = {Veluswamy, H. P. and Kumar, A. and Kumar, R. and Linga, P.} } @inbook {45809, title = {Insertion or ziegler-natta polymerization of olefins: science and technology}, booktitle = {Metal-catalyzed polymerization: fundamentals to applications}, year = {2017}, pages = {31-116}, publisher = {CRC Press}, organization = {CRC Press}, abstract = {
One of the most disruptive discoveries of twentieth century has been metal-catalyzed polymerization of ethylene to polyethylene by Prof. Karl Ziegler from the Max Plank Institut Fuer Kohlenforschung, Mulheim, Germany. This discovery marked the beginning of an era, which revolutionized the field of chemistry, in particular, the field of polymer chemistry in many aspects and saw an avalanche of patents and publications. Unlike typical academic discoveries, this invention did not stop at the academic labs, but led to the development of a large-scale process that produces about 180 million tons of polyolefins (annually) today. 1 But the very obvious question that comes to our mind is what prompted Prof. Ziegler to react ethylene with the two components (that we will discuss later in this chapter)? It was not an overnight realization, but instead, it was rational analysis of a serendipitous observation and systematic experimentation by Prof. Ziegler.
}, isbn = {978-149876758-3}, issn = {978-149876757-6}, doi = {10.1201/b19905}, author = {Chikkali, S. H. and Patel, K., and Netalkar, S.} } @article {44115, title = {Insights in the diffusion controlled interfacial flow synthesis of Au nanostructures in a microfluidic system}, journal = {Langmuir}, volume = {33}, year = {2017}, month = {DEC}, pages = {14315-14324}, type = {Article}, abstract = {Continuous segmented flow interfacial synthesis of Au nanostructures is demonstrated in a microchannel reactor. This study brings new insights into the growth of nanostructures at continuous interfaces. The size as well as the shape of the nanostructures showed significant dependence on the reactant concentrations, reaction time, temperature, and surface tension, which actually controlled the interfacial mass transfer. The microchannel reactor assisted in achieving a high interfacial area, as well as uniformity in mass transfer effects. Hexagonal nanostructures were seen to be formed in synthesis times as short as 10 min. The wettability of the channel showed significant effect on the particle size as well as the actual shape. The hydrophobic channel yielded hexagonal structures of relatively smaller size than the hydrophilic microchannel, which yielded sharp hexagonal bipyramidal particles (diagonal distance of 30 nm). The evolution of particle size and shape for the case of hydrophilic microchannel is also shown as a function of the residence time. The interfacial synthesis approach based on a stable segmented flow promoted an excellent control on the reaction extent, reduction in axial dispersion as well as the particle size distribution.}, doi = {10.1021/acs.langmuir.7b03277}, author = {Kulkarni, Amol A. and Cabeza, Victor Sebastian} } @article {43821, title = {Integrative machine learning strategy for improved prediction of essential genes in Escherichia coli metabolism using flux-coupled features}, journal = {Molecular Biosystems}, volume = {13}, year = {2017}, month = {AUG}, pages = {1584-1596}, type = {Article}, abstract = {Prediction of essential genes helps to identify a minimal set of genes that are absolutely required for the appropriate functioning and survival of a cell. The available machine learning techniques for essential gene prediction have inherent problems, like imbalanced provision of training datasets, biased choice of the best model for a given balanced dataset, choice of a complex machine learning algorithm, and data-based automated selection of biologically relevant features for classification. Here, we propose a simple support vector machine-based learning strategy for the prediction of essential genes in Escherichia coli K-12 MG1655 metabolism that integrates a non-conventional combination of an appropriate sample balanced training set, a unique organism-specific genotype, phenotype attributes that characterize essential genes, and optimal parameters of the learning algorithm to generate the best machine learning model (the model with the highest accuracy among all the models trained for different sample training sets). For the first time, we also introduce flux-coupled metabolic subnetwork-based features for enhancing the classification performance. Our strategy proves to be superior as compared to previous SVM-based strategies in obtaining a biologically relevant classification of genes with high sensitivity and specificity. This methodology was also trained with datasets of other recent supervised classification techniques for essential gene classification and tested using reported test datasets. The testing accuracy was always high as compared to the known techniques, proving that our method outperforms known methods. Observations from our study indicate that essential genes are conserved among homologous bacterial species, demonstrate high codon usage bias, GC content and gene expression, and predominantly possess a tendency to form physiological flux modules in metabolism.}, doi = {10.1039/c7mb00234c}, author = {Nandi, Sutanu and Subramanian, Abhishek and Sarkar, Ram Rup} } @article {43891, title = {Intensification of extraction of curcumin from Curcuma amada using ultrasound assisted approach: Effect of different operating parameters}, journal = {Ultrasonic Sonochemistry}, volume = {38}, year = {2017}, month = {SEP}, chapter = {437-445}, abstract = {
Curcumin, a dietary phytochemical, has been extracted from rhizomes of Curcuma amada using ultrasound assisted extraction (UAE) and the results compared with the conventional extraction approach to establish the process intensification benefits. The effect of operating parameters such as type of solvent, extraction time, extraction temperature, solid to solvent ratio, particle size and ultrasonic power on the extraction yield have been investigated in details for the approach UAE. The maximum extraction yield as 72\% was obtained in 1 h under optimized conditions of 35 degrees C temperature, solid to solvent ratio of 1:25, particle size of 0.09 mm, ultrasonic power of 250 W and ultrasound frequency of 22 kHz with ethanol as the solvent. The obtained yield was significantly higher as compared to the batch extraction where only about 62\% yield was achieved in 8 h of treatment. Peleg{\textquoteright}s model was used to describe the kinetics of UAE and the model showed a good agreement with the experimental results. Overall, ultrasound has been established to be a green process for extraction of curcumin with benefits of reduction in time as compared to batch extraction and the operating temperature as compared to Soxhlet extraction.
}, keywords = {Acrylamide, Cavitation, Curcumin Extraction, Design, Enhancement, Functionalized Silica, kinetics, Microwave, Nanoparticles, Natural-products, Optimization, Phenolic-compounds, Process Intensification, Solid-liquid Extraction, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2017.03.040}, author = {Shirsath, S. R. and Sable, S. S. and Gaikwad, S. G. and Sonawane, S. H. and Saini, D. R. and Gogate, P. R.} } @article {43777, title = {Interaction energy driven biased sampling technique: a faster route to ionization spectra in condensed phase}, journal = {Journal of Computational Chemistry}, volume = {38}, year = {2017}, month = {OCT}, pages = {2248-2257}, abstract = {We introduce a computationally efficient approach for calculating spectroscopic properties, such as ionization energies (IEs) in the condensed phase. Discrete quantum mechanical/molecular mechanical (QM/MM) approaches for spectroscopic properties in a dynamic system, such as aqueous solution, need a large sample space to obtain converged estimates, especially for the cases where particle (electron) number is not conserved, such as IEs or electron affinities (EAs). We devise a biased sampling technique based on an approximate estimate of interaction energy between the solute and solvent, that accelerates the convergence and therefore, reduces the computational cost significantly. The approximate interaction energy also provides a good measure of the spectral width of the chromophores in the condensed phase. This technique has been tested and benchmarked for (i) phenol, (ii) HBDI anion (hydroxybenzylidene dimethyl imidazolinone), and (iii) thymine in water. (c) 2017 Wiley Periodicals, Inc.}, doi = {10.1002/jcc.24875}, author = {Bose, Samik and Ghosh, Debashree} } @inbook {45812, title = {Interaction of membrane cholesterol with GPCRs: implications in receptor oligomerization}, booktitle = {Receptors}, volume = {33}, year = {2017}, pages = {415-429}, publisher = {Humana Press Inc.}, organization = {Humana Press Inc.}, address = {New York}, abstract = {
G protein-coupled receptors (GPCRs) are the largest family of proteins involved in signal transduction across cell membranes, and represent major drug targets in all clinical areas. Oligomerization of GPCRs and its implications in drug discovery constitute an exciting area in contemporary biology. In this review, we have highlighted the role of membrane cholesterol and the actin cytoskeleton in GPCR oligomerization, using a combined approach of homo-FRET and coarse-grain molecular dynamics simulations. In the process, we have highlighted experimental and computational methods that have been successful in analyzing different facets of GPCR association. Analysis of photobleaching homo-FRET data provided novel information about the presence of receptor oligomers under varying conditions. Molecular dynamics simulations have helped to pinpoint transmembrane helices that are involved in forming the receptor dimer interface, and this appears to be dependent on membrane cholesterol content. This gives rise to the exciting and challenging possibility of age and tissue dependence of drug efficacy. We envision that GPCR oligomerization could be a game changer in future drug discovery.
}, doi = {10.1007/978-3-319-60174-8_16}, author = {Sengupta, D. and Kumar, G. A. and Chattopadhyay, A.} } @article {44121, title = {Interfacial-active polymer nanoparticles, their assemblies, and SERS application}, journal = {Macromolecular Chemistry and Physics}, volume = {218}, year = {2017}, month = {DEC}, pages = {Article Number: 1700261}, type = {Article}, abstract = {In this work, surface-active polymer nanoparticles as well as polymer-polymer and polymer-metal nanoassembly particles are synthesized, and different parameters such as their size, morphologies, and assembling strength are studied. Nanoassembly particles are attractive because of the coupled properties with a large surface to volume ratio. A key challenge is to produce the core-shell polymer nanoparticles via single-step processes. To address this concern, here, microfluidics approach and precise interfacial reaction strategies are used, and hence different types of surface layered polymer nanoparticles are obtained in one-step processes. An inner core material is hydrophobic, whereas a hydrophilic surface layer (in situ formed during the polymerization process) swells in the aqueous environment. Moreover, three different reaction setups (batch, flow, and in situ) are applied in order to architect the nanoassembling hierarchical structures via layer-by-layer strategy. On the other side, polymer-metal nanoassembly particles as well as metal catalyzed metal deposited four layered nanoassembly particles of tuned size and compositions are produced. It is shown that these particles can be used as nanosensor particles for surface-enhanced Raman spectroscopy.}, doi = {10.1002/macp.201700261}, author = {Visaveliya, Nikunjkumar R. and Li, Xiang and Knauer, Andrea and Prasad, Bhagavatula L. V. and Kohler, Johann Michael} } @article {44178, title = {Interplay between pi-bridges and positions of branched alkyl groups of unsymmetrical D-A-D-pi-A squaraines in dye-sensitized solar cells: mode of dye anchoring and the charge transfer process at the TiO2/Dye/electrolyte interface}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {SEP}, pages = {32698-32712}, type = {Article}, abstract = {
Far-red-absorbing squaraines possessing high molar absorptivity (\>10(5) M-1 cm(-1)) are being attracted as high-efficiency chromophores in dye-sensitized solar cells (DSSCs). A series of donor acceptor -donor-pi spacer-acceptor (D-A-D-pi-A) unsymmetrical squaraines, PSQ1-5, with indoline donor and squaric/cyanoacetic acid acceptor units, were designed for sensitized solar cells. For extending the absorption toward the near-infrared region (NIR) and controlling the orientation on the TiO2 surface, benzene (PSQ1 and PSQ2) and thiophene (PSQ3-5) 7r-spacers and out-of-plane branched alkyl groups at the indoline that are away (PSQ1, PSQ3, and PSQS) or near (PSQ2 and PSQ4) the anchoring group, respectively, were introduced. Dynamic aggregation tendency of PSQ1 and PSQ3 than that of their isomers systematically modulates the orientation on the TiO2 surface, which in turn enhances photovoltaic performance. Absorptance on a thin transparent TiO2 film shows a visible-to-NIR response with an onset around 800 nm for PSQ3-5. Although there is resemblance in electrochemical redox levels, their high injection efficiency and recombination resistance differentiated impact on the way of anchoring and the dihedral angle between D-A-D units and g-spacers. DSSCs sensitized with PSQS achieved a PCE of 8.15\% under simulated AM 1.5G illumination (100 mW cm(-2)), with the current density (j) and open-circuit voltage (Voc) of 19.73 mA cm(-2) and 630 mV, respectively. A clear comparison of the incident-photon-to-current conversion efficiency versus the light-harvesting efficiency correlates the structure-property relationship with J obtained for PSQ dyes. Electrochemical impedance spectroscopy was carried out to examine the TiO2/dye/electrolyte interface for further confirmation of the enhanced PCE of top-se-alkylated PSQS over that of other dyes.
}, keywords = {D-A-D-pi-A framework, dye-sensitized solar cell, H- and J-type aggregation, orientation of dyes, static/dynamic aggregates, unsymmetrical squaraine}, issn = {1944-8244}, doi = {10.1021/acsami.7b08346}, author = {Punitharasu, Vellimalai and Kavungathodi, Munavvar Fairoos Mele and Nithyanandhan, Jayaraj} } @article {43741, title = {Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {APR}, pages = {3705-3708}, type = {Article}, abstract = {The remarkable effect of anions on the transition from supramolecular gels to crystalline phases has been described. An amino acid-based metallohydrogel was transformed into different metal-organic frameworks through the selective picking of anions. The metallohydrogel and the resulting metal-organic frameworks (MOFs) were thoroughly characterized. The results demonstrated controlled access over the binding of a particular anion to selectively form a particular MOF.}, doi = {10.1039/c7cc00539c}, author = {Karak, Suvendu and Kumar, Sushil and Bera, Saibal and Diaz Diaz, David and Banerjee, Subhrashis and Vanka, Kumar and Banerjee, Rahul} } @article {43840, title = {Interrupting base-mediated benzofuran ring transformation with michael acceptors}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {SEP}, pages = {9816-9823}, type = {Article}, abstract = {
A simple two-stage approach for the synthesis of 3-(2-arylbenzofuran-3-yl)propanoates and propanamides has been developed employing simple acrylates and acrylamides and readily available 3-aroylbenzofurans. The key step of this process involves a base-mediated ring opening of the 3-aroylbenzofurans and subsequent Michael addition of the resulting 1,3-dicarbonyl intermediate with acrylate/acrylamide, followed by the deformylation in one-pot. The resulting products undergo an acid-mediated dehydrative cyclization to arrive at these targets.
}, keywords = {Acyl Benzylic Bromides, Beta-Ketoaldehydes, Efficient Synthesis, Ortho-Hydroxybenzyl Ketones, Phenols, Position, Precursors, Sur Le Benzofuranne, Transposition}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b01267}, author = {Srinivas, Kolluru and Sharma, Rashmi and Ramana, Chepuri V.} } @article {43797, title = {Intramolecular ipso-arylative cyclization of aryl-alkynoates and N-arylpropiolamides with aryldiazonium salts through merged gold/visible light photoredox catalysis}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {AUG}, pages = {9081-9084}, type = {Article}, abstract = {A visible-light-promoted merged gold/photoredox catalyzed ipsoarylative cyclization has been reported. For instance, the reaction of aryl-alkynoates and N-arylpropiolamides with aryldiazonium salts in the presence of catalytic amounts of [(4-OCH3)C6H4](3)PAuCl and Ru(bpy)(3)(PF6)(2) under irradiation using a 32WCFL bulb gave arylated spirocarbocycles in moderate to good yields.}, doi = {10.1039/c7cc04010e}, author = {Bansode, Avinash H. and Shaikh, Samir R. and Gonnade, Rajesh G. and Patil, Nitin T.} } @article {44112, title = {Introducing the bipolar solvent media using the aqueous mixtures of amino acid anion-based ionic liquids}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {DEC}, pages = {11367-11375}, type = {Article}, abstract = {To carry out a chemical reaction between the reactants with largely different polarities, it becomes important to have a reaction medium that possesses both the polar and nonpolar solvation environments. In an attempt to explore the reaction media with such unique polarity properties, the present study provides a thorough understanding of the bipolar solvent media using the aqueous mixtures of amino acid anion-based ionic liquids. The highly polar behavior of the binary mixtures used in the study has been ascribed to the pure ionic liquid state. However, the less polar solvation shells have been attributed to the presence of a neutral form of the anions. Addition of water in the amino acid anion-based ionic liquids causes the protonation of a certain fraction of the anions of the ionic liquids, resulting into the formation of a less polar nonionic protonated form along with the highly polar natural anionic form. This results into the formation of two solvation spheres with different polarities, which can be seen very clearly from the presence of two absorption bands (lower wavelength absorption band and higher wavelength absorption band) in the UV-vis absorption spectrum of Reichardt{\textquoteright}s E-T(30) dye and two emission bands (lower wavelength emission band and higher wavelength emission band) in the fluorescence emission spectrum of C481 dye. The values of the E-T(N) polarity parameter corresponding to the two solvation shells having different polarities have been calculated from the deconvoluted absorption spectra of the Reichardt{\textquoteright}s E-T(30) and were analyzed in three amino acid anion-based ionic liquids. Generation of the neutral form of anions in the aqueous mixtures formed via a protonation transfer reaction has been confirmed by the H-1 NMR spectroscopy and UV-vis absorption spectrum of 18DHAQ dye. The study also establishes that the Reichardt{\textquoteright}s E-T(30) dye can be used as a valid polarity probe to study the solvatochromic behavior of the binary mixtures of amino acid-based ionic liquids.}, doi = {10.1021/acs.jpcb.7b08240}, author = {Beniwal, Vijay and Kumar, Anil} } @inbook {45813, title = {Introduction to organometallics}, booktitle = {Metal-catalyzed polymerization: fundamentals to applications}, year = {2017}, pages = {1-30}, publisher = {CRC Press}, organization = {CRC Press}, chapter = {Introduction to organometallics}, abstract = {
Polymers are gigantic macromolecules that are constructed by linking together a large number of smaller molecules called monomers through the process of polymerization. Polymer chemistry has evolved from a primitive, pragmatic discipline in the early 1920s to a well-established academic course today. The early efforts by Hermann Staudinger laid the foundation of rational polymer science and today it is nearly well understood as any other contemporary science. The fundamentals of chemistry and physics of polymers are detailed in many text books and we refer the reader to dedicated main stream polymer science books. 1 Nevertheless, the subject is forging ahead and is conquering new territories, and understanding of these new frontiers is equally important.
}, doi = {10.1201/b19905}, author = {Chikkali, S.H. and Netalkar, S.} } @article {43942, title = {Investigation into the taxonomy of {\textquotedblleft} B. aminovorans{\textquotedblright} and its reclassification to the genus Domibacillus as Domibacillus aminovorans sp. nov.}, journal = {Systematic and Applied Microbiology}, volume = {40 }, year = {2017}, month = {AUG}, pages = {458-467}, type = {Article}, abstract = {The species "Bacillus aminovorans" was categorized as species Incertae Sedis meaning taxa with uncertain taxonomic position because of insufficient description of phenotypic properties and lack of understanding of its phylogenetic relationship (Claus and Berkeley [5]). In this study two strains "B. aminovorans" DSM 1314T and DSM 4337 were phenotypically and phylogenomically analyzed. The strains are Gram-staining-positive, spore forming rods and unable to utilize/ferment most of the sugars tested except glucose. The major fatty acids are anteiso-C15:0 and iso-C15:0. The major polar lipids are diphosphatidylglycerol, phosphatidylglycerol and an aminophosphoglycolipid. The cell wall peptidoglycan is of A1γ type with meso-Dpm as the diamino acid. The menaquinone type present is MK-6. The G+C content of the genomic DNA of the type strain is 40.8mol\%. These characteristics were found to be in line with description of the genus Domibacillus. Moreover phylogenetic analysis based on 16S rRNA gene sequence retrieved "B. aminovorans" within the genus Domibacillus with D. antri XD 80T as the closest relative. Additionally genome sequencing of the strains and their comparison with whole genome sequences of other Domibacillus spp. confirmed their distinctiveness and separate species status within the genus based on parameters of genome to genome distance calculator (GGDC) and average nucleotide identity (ANI) values. Therefore a novel species Domibacillus aminovorans sp. nov. (DSM 1314T =LMG 16796T) is proposed.}, keywords = {16S rRNA, Domibacillus aminovorans, MALDI-TOF, {\textquoteleft}{\textquoteleft}Bacillus aminovorans{\textquoteright}{\textquoteright}}, issn = {0723-2020}, doi = {10.1016/j.syapm.2017.07.003}, author = {Verma, Ashish and Ojha, Anup Kumar and Pal, Yash and Kumari, Parveen and Schumann, Peter and Gruber-Vodicka, Harald and Dastager, Syed Gulam and Natarajan, Ramesh Kumar and Mayilraj, Shanmugam and Krishnamurthi, Srinivasan} } @article {43459, title = {Investigation of the biocompatibility and cytotoxicity associated with ROP initiator and its role in bulk polymerization of L-lactide}, journal = {Polymer}, volume = {111}, year = {2017}, month = {FEB}, pages = {244-251}, abstract = {Poly (L-lactide) (PLLA) is one of the most attractive polymers for use in biomedical applications. In such applications it is necessary to reduce the use of toxic chemicals and catalysts used in PLLA synthesis, to minimize any adverse effects. In view of this, we have performed ring opening polymerization (ROP) of Llactide (LA) using biocompatible initiator, namely, Zinc L-Proline (ZnP) in bulk. High molecular weight PLLA (Mw up to 1.45 x 10(5) Da) was obtained using the ZnP complex. The ZnP complex is safe, easy to prepare, store and handle. H-1 and C-13 NMR spectra of PLLA were used to determine the extent of monomer conversion and stereo sequence respectively. Differential Scanning Calorimetry (DSC) and Size Exclusion Chromatography (SEC) were used to determine thermal properties, Mn, Mw and polydispersity index respectively. The mechanism of ROP of LA in the presence of ZnP was studied using Density Functional Theory (DFf) which was in good agreement with results from H-1 NMR and Matrix-Assisted Laser Desorption/Ionization Spectrometry (MALDI-TOF). Biocompatibility/non toxicity of PLLA prepared using ZnP was studied in-vitro using MTT assay by examining the proliferation rate of mouse myoblast C2C12 cell line. Escherichia coli and Staphylococcus aureus were used for the study of antibacterial activity of PLLA. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.polymer.2017.01.058}, author = {Parwe, Sharad P. and Warkad, Shrikant D. and Mane, Manoj V. and Shedage, Pranita S. and Garnaik, Baijayantimala} } @article {45679, title = {Ionic hydrogenation-directed stereoselective construction of C-20(H) stereogenic center in steroid side chains: Scope and limitations}, journal = {Tetrahedron}, volume = {73 }, year = {2017}, month = {APR}, pages = {2396-2414}, type = {Article}, abstract = {Stereoselective synthesis of steroidal C-20 tertiary alcohols with n-butyl, vinyl, furyl, thienyl, thiazolyl, aryl and pyridyl side chains via Grignard reaction or organolithium reagents have been realized starting from readily available 16-dehydropregnenolone acetate. The ionic hydrogenation of steroidal C-20 tertiary alcohols having furyl, methylfuryl, thienyl, phenyl and 4-methoxyphenyl side chains, resulted into the deoxygenated product with C-20 natural configuration in excellent yields. However, the alkyl, thiazolyl and pyridyl incorporated steroidal C-20 tertiary alcohols were failed under the same reaction condition. The scope of ionic hydrogenation is further highlighted through the stereoselective reduction of steroidal C-20,21-ene compounds with furyl, thienyl and 4-methoxyphenyl side chains gave the saturated compounds with C-20 natural configuration}, doi = {10.1016/j.tet.2017.03.029}, author = {Shingate, Bapurao B. and Hazra, Braja G.} } @article {43847, title = {Ionic strength-dependent changes in tentacular ion exchangers with variable ligand density. II. functional properties}, journal = {Journal of Chromatography A}, volume = {1506}, year = {2017}, month = {JUL}, pages = {55-64}, type = {Article}, abstract = {The effect of ligand density was studied on protein adsorption and transport behavior in tentacular cation-exchange sorbents at different ionic strengths. Results were obtained for lysozyme, lactoferrin and a monoclonal antibody (mAb) in order to examine the effects of protein size and charge. The combination of ligand density and ionic strength results in extensive variability of the static and dynamic binding capacities, transport rate and binding affinity of the proteins. Uptake and elution experiments were performed to quantify the transport behavior of selected proteins, specifically to estimate intraparticle protein diffusivities. The observed trend of decreasing uptake diffusivities with an increase in ligand density was correlated to structural properties of the ligand-density variants, particularly the accessible porosity. Increasing the ionic strength of the equilibration buffer led to enhanced mass transfer during uptake, independent of the transport model used, and specifically for larger proteins like lactoferrin and mAb, the most significant effects were evident in the sorbent of the highest ligand density. For lysozyme, higher ligand density leads to higher static and dynamic binding capacities whereas for lactoferrin and the mAb, the binding capacity is a complex function of accessible porosity due to ionic strength-dependent changes. Ligand density has a less pronounced effect on the elution rate, presumably due to ionic strength dependent changes in the pore architecture of the sorbents. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.chroma.2017.05.021}, author = {Shambure, Rahul and Angelo, James M. and Gillespie, Christopher M. and Phillips, Michael and Graalfs, Heiner and Lenhoff, Abraham M.} } @article {43461, title = {Iron complex catalyzed selective C-H bond oxidation with broad substrate scope}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {FEB}, pages = {746-749}, abstract = {
The use of a peroxidase-mimicking Fe complex has been reported on the basis of the biuret-modified TAML macrocyclic ligand {\textquoteright}framework (Fe-bTAML) as a catalyst to perform selective oxidation of unactivated 3 degrees C-H bonds and activated 2 degrees C-H bonds with low catalyst loading (1 mol \%) and high product yield (excellent mass balance) under near neutral conditions and broad substrate scope (18 substrates which includes arenes, heteroaromatics, and polar functional groups). Aliphatic C-H oxidation of 3 and 2 sites of complex substrates was achieved with predictable selectivity using steric, electronic, and stereoelectronic rules that govern site selectivity, which included oxidation of (+)-artemisinin to (+)-10 beta-hydroxyartemisinin. Mechanistic studies indicate Fe-V(O) to be the active oxidant during these reactions.
}, doi = {10.1021/acs.orglett.6b03359}, author = {Jana, Sandipan and Ghosh, Munmun and Ambule, Mayur and Sen Gupta, Sayam} } @article {44402, title = {Iron-based nanocatalyst for the acceptorless dehydrogenation reactions}, journal = {Nature Communications}, volume = {8}, year = {2017}, month = {DEC}, pages = {Article Number: 2147}, abstract = {Development of sustainable catalytic systems for fundamentally important synthetic transformations and energy storage applications is an intellectually stimulating challenge. Catalytic dehydrogenation of feedstock chemicals, such as alcohols and amines to value-added products with the concomitant generation of dihydrogen is of much interest in the context of hydrogen economy and is an effective alternative to the classical oxidation reactions. Despite a number of homogeneous catalysts being identified for the acceptorless dehydrogenation, the use of high price and limited availability of precious metals and poor recovery of the catalyst have spurred interest in catalysis with more earth-abundant alternatives, especially iron. However, no report has described a reusable iron-based heterogeneous catalyst for oxidant-free and acceptorless dehydrogenation reactions. Here we replace expensive noble metal catalysts with an inexpensive, benign, and sustainable nanoscale iron catalyst for the efficient acceptorless dehydrogenation of N-heterocycles and alcohols with liberation of hydrogen gas.}, doi = {10.1038/s41467-017-01603-3}, author = {Jaiswal, Garima and Landge, Vinod G. and Jagadeesan, Dinesh and Balaraman, Ekambaram} } @article {43276, title = {Iron-carbon nanohybrid particles as environmentally benign electrode for supercapacitor}, journal = {Journal of Solid State Electrochemistry }, volume = {21}, year = {2017}, month = {FEB}, pages = {1665-1674}, type = {Article}, abstract = {
In this work, we report the synthesis and electrode applications of iron-carbon nanohybrid particles prepared by carbonization of a nanocomposite of FeOOH nanoneedles and melamine-formaldehyde resin. The chemical composition and microstructure of the material have been characterized using ICP-AES, FT-IR, XRD, FESEM, TEM and XPS. The supercapacitor properties of the MF-Fe-C are studied in detail. A thorough comparison of the supercapacitor performances of MF-Fe-C and bare MF-C has been carried out through detailed electrochemical characterisations employing both two and three-electrode techniques. The nanohybrid showed an enhanced energy density of 127.75 WhKg$^{-}${\textonesuperior}, specific capacitance of \~{}408 F g$^{-}${\textonesuperior} at 1 mVs$^{-}${\textonesuperior} scan rate, and excellent cyclic stability even after 1000 charge-discharge cycles, making it an intriguing material for high energy density supercapacitor devices.
}, doi = {10.1007/s10008-017-3537-z}, author = {Ratha, Satyajit and Vernekar, Dnyanesh and Sivaneri, Kavin and Jagadeesan, Dinesh and Rout, Chandra Sekhar} } @article {43811, title = {Iron-catalyzed dehydrogenation reactions and their applications in sustainable energy and catalysis}, journal = {Catalysis Science \& Technology}, volume = {7}, year = {2017}, month = {AUG}, pages = {3177-3195}, type = {Article}, abstract = {Inspired by nature, chemists have designed new catalysts in the pursuit of selective bond activation and chemical transformations. Emergent biological systems often use earth-abundant first-row transition elements as catalytically active sites to facilitate specific and highly selective chemical processes. The design of a new catalytic system based on abundant and inexpensive catalysts, particularly the iron-based catalysts, for fundamentally significant synthetic transformations under environmentally benign conditions is an important paradigm in chemical synthesis. In recent times, iron-based catalytic systems have shown unprecedented reactivity in the acceptorless dehydrogenation reactions of feedstock chemicals, with the liberation of molecular hydrogen as the by-product, and have enabled greener chemical synthetic methods and alternative energy storage systems. Indeed, it has been demonstrated that the proper design of iron catalysts by judiciously choosing ligands, can aid in the development of new sustainable energy storage systems and catalysis. This tutorial review focuses on the recent development of iron-based dehydrogenation reactions of fundamentally important feedstock, as a route to sustainable chemical synthesis and energy storage applications. The emerging area of the iron-based dehydrogenation strategy provides an opportunity to make industrially applicable, cost-effective and environmentally benign catalytic systems.}, doi = {10.1039/c7cy00879a}, author = {Balaraman, Ekambaram and Nandakumar, Avanashiappan and Jaiswal, Garima and Sahoo, Manoj K.} } @article {44036, title = {Isobaric vapor-liquid equilibrium data for the binary systems of dimethyl carbonate with xylene isomers at 93.13 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {62}, year = {2017}, month = {AUG}, pages = {2436-2442}, type = {Journal Article}, abstract = {Isobaric binary vapor-liquid equilibrium (VLE) data for dimethyl carbonate with xylene isomers (p-xylene, m-xylene, o-xylene, and ethylbenzene) were measured at the local atmospheric pressure of 93.13 kPa by using a dynamic recirculation still. The experimental VLE data were tested and found to be thermodynamically consistent by Herington and Van Ness consistency test. The experimental VLE data were correlated using the Wilson, NRTL, and UNIQUAC activity coefficient models and binary interactions parameters were estimated using a suitable objective function. The absolute mean deviation between the experimental and the model predicted values of vapor phase composition and total pressure was well within acceptable limits. No azeotrope was observed in any of the binary pairs and appeared to be easy for separation using conventional distillation method. }, keywords = {Atmospheric Pressure, binary mixture, Distillation, Xylene}, doi = {10.1021/acs.jced.7b00372}, author = {Yadav, S.S.}, editor = {Mali, N. A.} } @article {43660, title = {Isolation and characterization of 9-lipoxygenase and epoxide hydrolase 2 genes: insight into lactone biosynthesis in mango fruit (Mangifera indica L.)}, journal = {Phytochemistry}, volume = {138}, year = {2017}, month = {JUN}, pages = {65-75}, abstract = {Uniqueness and diversity of mango flavour across various cultivars are well known. Among various flavour metabolites lactones form an important class of aroma volatiles in certain mango varieties due to their ripening specific appearance and lower odour detection threshold. In spite of their biological and biochemical importance, lactone biosynthetic pathway in plants remains elusive. Present study encompasses quantitative real-time analysis of 9-lipoxygenase (Mi9LOX), epoxide hydrolase 2 (MiEH2), peroxygenase, hydroperoxide lyase and acyl-CoA-oxidase genes during various developmental and ripening stages in fruit of Alphonso, Paid and Kent cultivars with high, low and no lactone content and explains their variable lactone content. Study also covers isolation, recombinant protein characterization and transient over-expression of Mi9LOX and MiEH2 genes in mango fruits. Recombinant Mi9LOX utilized linoleic and linolenic acids, while MiEH2 utilized aromatic and fatty acid epoxides as their respective substrates depicting their role in fatty acid metabolism. Significant increase in concentration of delta-valerolactone and gamma-decalactone upon Mi9LOX over-expression and that of delta-valerolactone, gamma-hexalactone and delta-hexalactone upon MiEH2 over-expression further suggested probable involvement of these genes in lactone biosynthesis in mango. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.phytochem.2017.03.002}, author = {Deshpande, Ashish B. and Chidley, Hemangi G. and Oak, Pranjali S. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article {44146, title = {Isomerizing hydroformylation of cashew nut shell liquid}, journal = {ChemCatChem}, volume = {9}, year = {2017}, month = {OCT}, pages = {3997-4004}, type = {Article}, abstract = {A small library of bisphosphorus ligands was evaluated in the rhodium-catalyzed isomerizing hydroformylation (I-HF) of cashew nut shell liquid (CNSL). The rhodium complex of 1,2-bis((di-tert-butylphosphanyl)methyl)benzene (BDTBPMB; L4) outperformed the other bisphosphite and bisphosphine ligands and unveiled a moderate selectivity of 28\% and 50\% in the I-HF of CNSL monoene and methoxy-protected monoene, respectively. The resultant aldehyde 16-(3-methoxyphenyl)hexadecanal P1 was isolated and its identity was fully established. Application of bis-phosphine ligand L4 in the I-HF of highly challenging CNSL cardanol (S3) and methoxy-protected CNSL cardanol yielded a linear selectivity of 74\%, although with reduced conversion. To demonstrate the synthetic utility of our strategy, the obtained aldehyde (derived from S3) was subjected to hydrogenation and the resultant 3-(16-hydroxyhexadecyl) phenol (P8) was isolated in 89\% isolated yield. High-pressure NMR investigation revealed selective formation of a bis-equatorial BDTBPMB-rhodium complex, which might be responsible for the excellent linear selectivity.}, doi = {10.1002/cctc.201700717}, author = {Pandey, Swechchha and Shinde, Dinesh R. and Chikkali, Samir H.} } @inbook {45814, title = {Kinetic model for extraction of betulinic acid by batch extraction from leaves of syzygium cumini (Jamun)}, booktitle = {Novel Water treatment and separation methods: simulation of chemical processew}, year = {2017}, pages = {179-190}, publisher = {Apple Academic Press}, organization = {Apple Academic Press}, chapter = {Kinetic model for extraction of betulinic acid by batch extraction from leaves of syzygium cumini (Jamun)}, abstract = {
Plants are one of the most important sources of medicines. Syzygium cumini known as {\textquotedblleft}jamun{\textquotedblright} in Hindi which is found in throughout India. The leaves are having promising therapeutic value with its various phyto constituents such as tannin, alkaloids, flavonoids, terpenoids, fatty acid, phenol, minerals, carbohydrates, and vitamins. All these phyto constituents are analyzed by qualitative analysis method. Betulinic acid is a naturally occurring pentacyclic triterpenoid compound. The medicinal application of betulinic acid is available for diabetes, cancer cell, and HIV. Betulinic acid shows more solubility for methanol. For extraction of betulinic acid, different extraction techniques like batch extraction and Soxhlet extraction techniques are used. The effect of various parameters like particle size, agitations speed, temperature, and solid loading is studied. To explain the extraction of biological material from plant sources different model equations are used which describes sorption isotherms of material. The experimental data of solid loading and temperature are best fitted by using second order Peleg{\textquoteright}s model. From this model the linearized Arrhenius equation was obtained and temperature dependency was 0.567 kJ/mol. The aim of this study is to find out the best kinetic model for extraction and experimental data shows the good agreement of betulinic acid with methanol which justifies batch extraction process.
}, doi = {10.1201/9781315225395}, author = {Admane, S. V. and Gaikwad, S. G. and Chavan, S. M.} } @article {43805, title = {Kinetic profile and catalytic activity of transition metal-based ionic liquids for reduction of nitroarenes via in situ formation of nanoparticles}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {AUG}, pages = {6833-6843}, type = {Article}, abstract = {
The experimentally determined apparent rate constant (k(app)) shows that the [BmIm](2)[PdCl4] and [BmIm](2)[NiCl4] act as effective catalysts for the reduction of nitroarenes to aminoarenes in the presence of NaBH4. The TEM, XPS, XRD and dynamic light scattering studies show that there is in situ formation of Pd and Ni metal Nanoparticles (NPs) from the reduction of [BmIm](2)[PdCl4] and [BmIm](2)[NiCl4], respectively which are responsible for the enhancement in the catalytic activity. Thus, in the presence of the ionic liquid stabilized metal NPs show higher catalytic activity in comparison to the NPs stabilized with other capping agents as reported. The order of k(app) as 1) PNP \> 2-BrPNP \> 2-APNP and 2) PNP \> ONP \> 2-NR for reduction of nitroarenes using [BmIm](2)[PdCl4] and [BmIm](2)[NiCl4] and its correlation explained on the basis of electronic structure and hydrogen bonding ability of nitroarenes. The thermodynamic parameters such as E-a, Delta H-$\#$, Delta S-$\#$ and Delta G($\#$) are in agreement with the surface catalyzed reduction reaction of PNP in the presence of NPs as catalyst. The kapp values illustrated the reduction reaction follow the LangmuirHinshelwood (L-H) mechanism.
}, doi = {10.1002/slct.201701601}, author = {Thawarkar, Sachin R. and Khupse, Nageshwar D. and Kumar, Anil} } @article {45687, title = {Kinetics and thermodynamics of transpeptidation catalysed by Bacillus subtilis gamma glutamyl transferase}, journal = {Indian Journal of Biochemistry and Biophysics }, volume = {54 }, year = {2017}, month = {JUN}, pages = {109-113}, type = {Article}, abstract = {Gamma glutamyl transferases (GGT) catalyse the removal (deglutamylation) of the terminal gamma-glutamate residue from compounds such as glutathione and poly-gamma-glutamic acid and its transfer either to a water molecule (hydrolysis) or to a peptide/amino acid (transpeptidation). We analysed the kinetics of Bacillus subtilis GGT (BsGGT) catalysed transpeptidation using gamma-glutamyl-(3-carboxyl)-4-nitroaniline as the gamma-glutamate-donor and glycylglycine (Gly-Gly) as the gamma-glutamate acceptor. Addition of Gly-Gly improved the affinity (Km) of the enzyme for gamma-glutamyl-(3-carboxyl)-4-nitroaniline by nearly 25 times with negligible impact on the rate of deglutamylation (V-max). The asymmetric changes in the kinetic parameters improved the specificity constant (K-cat/K-m.) by about 43 times. BsGGT catalysed transpeptidation was pronounced in conditions that are unfavorable for hydrolysis. Maximum transpeptidation occurred near neutral pH and when the concentration of the gamma-glutamate-donor substrate is lower. The effect of Gly-Gly on the kinetics of BsGGT is contrastingly different from that observed for eukaryotic GGTs. In the case of mammalian GGTs, the addition of Gly-Gly increases both Km and k(cat); and, the specificity constant (K-cat/K-m) remains unaltered}, author = {Balakrishna, Sharath and Prabhune, Asmita A.} } @article {45770, title = {Kocuria indica sp. nov., isolated from a sediment sample (vol 64, pg 869, 2014)}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {67}, year = {2017}, month = {MAY}, pages = {1620}, type = {Correction}, chapter = {1620}, issn = {1466-5026}, doi = {10.1099/ijsem.0.002077}, author = {Dastager, Syed G. and Tang, Shan-Kun and Srinivasan, Krishnamurthi and Lee, Jae-Chan and Li, Wen-Jun} } @article {44118, title = {Laboratory evaluation of synthetic blends of L-(+)-lactic acid, ammonia, and ketones as potential attractants for aedes aegypti}, journal = {Journal of the American Mosquito Control Association}, volume = {33}, year = {2017}, month = {DEC}, pages = {301-308}, type = {Article}, abstract = {Attraction of Aedes aegypti to various binary, trinary, and quaternary blends of lactic acid and ketones with or without ammonia was studied using a dual choice olfactometer. A dose dependent attraction was observed in cases of single compounds where cyclopentanone attracted the highest percentage (36.9 +/- 1.8\%) of Ae. aegypti when tested alone. No significant difference was observed between the attraction levels of trinary and binary blends of lactic acid and acetone or butanone when tested against clear air. However, in competitive bioassays, the trinary blend of lactic acid, acetone, and butanone was significantly preferred over binary blends of individual compounds (P < 0.05). Acetylacetone was weakly attractive when tested alone but showed additive attraction when blended with lactic acid. However, acetylacetone acted as an attraction inhibitor when blended with other compounds. Cyclopentanone was attractive, but enhancement of attraction was not observed when blended with other components. Addition of ammonia to binary or trinary blends of lactic acid, acetone, and/or butanone did not increase the attraction significantly. In competitive bioassays, the blends containing ammonia were significantly preferred over the blends lacking ammonia (P < 0.05). This highlights ammonia as an essential component of synthetic blends. A quaternary blend of lactic acid, ammonia, acetone, and butanone was most attractive (65 +/- 1.5\%) and preferred blend of all other combinations.}, doi = {doi.org/10.2987/16-6599.1}, author = {Venkatesh, P. M. and Sen, A.} } @article {44009, title = {Large anion incorporation to improve the performance of large, paper based conducting polymer supercapacitors}, journal = {Materials Today Energy}, volume = {5}, year = {2017}, month = {SEP}, pages = {112-117}, type = {Journal Article}, abstract = {
Poly(3,4-ethylenedioxythiophene) (PEDOT) is a stable conducting polymer, hence its dispersion is widely used in commercial devices. However, PEDOT{\textquoteright}s charge storage properties are not impressive. Thus, improvement in charge storage properties of PEDOT will render the possibility of fabricating stable energy storage devices such as supercapacitors. A fundamentally different approach is required to achieve this objective. We envisioned that the charge storage property of PEDOT can be improved by trapping large anions. These ions would facilitate better ion transport into the PEDOT matrix from the electrolyte and increase the efficiency of supercapacitors. Furthermore, a large anion such as triiodide is relatively immobile in the polymer matrix, hence we hypothesize the ions to be trapped in the polymer. To test this hypothesis, triiodide trapped PEDOT based supercapacitors are fabricated on paper substrates. A 1 cm2 triiodide incorporated PEDOT based supercapacitor exhibited a specific capacitance of 486 F/g. On the other hand, PEDOT without triiodide incorporation exhibited a specific capacitance of 221 F/g. Indeed, a device with an area of 32 cm2 exhibited a specific capacitance of 476 F/g.
}, keywords = {Flexible Supercapacitors, Paper based Supercapacitors, polyphenols}, doi = {10.1016/j.mtener.2017.06.004}, author = {Jain, B. and Krishnamoorthy, K.} } @article {44038, title = {Less frustration, more Activity{\textemdash}theoretical insights into frustrated lewis pairs for hydrogenation catalysis}, journal = {ChemCatChem}, volume = {9}, year = {2017}, month = {AUG}, pages = { 3013-3022}, type = {Journal Article}, abstract = {The field of frustrated Lewis pair (FLP) chemistry has seen rapid development in only a few years. FLPs have performed most spectacularly in hydrogenation catalysis: a wide variety of FLP-based systems can catalyze the hydrogenation of a range of different substrates, including imines, enamines, ketones, alkynes, and alkenes. However, FLP-based hydrogenation catalysts are yet to match the efficiency of their transition-metal counterparts. The current investigation reveals an important aspect of FLPs that can be exploited to improve their efficiency, that is, the more sterically hindered the FLP catalyst is, the lower is its turnover frequency. Full quantum chemical calculations with DFT for a family of different, experimentally known hydrogenation FLP catalysts shows that superior FLP catalysts can be designed by reducing the frustration (by reducing the steric demand and acid/base strength) in the FLP. However, as lowering the steric demand without reduction in the frustration can result in unwanted side reactions, the design of the most efficient FLP catalysts depends on tuning the system so that both the steric demand and the frustration are reduced appropriately.}, keywords = {Boranes, Hydrogenation, reaction mechanism, Steric Hindrance}, doi = {10.1002/cctc.201700289}, author = {Mane, M.V.}, editor = {Vanka, K.} } @article {43875, title = {Lewis acid catalyzed cascade annulation of alkynols with alpha-ketoesters: a facile access to gamma-spiroketal-gamma-lactones}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUN}, pages = {6641-6644}, type = {Article}, abstract = {A novel Lewis acid catalyzed intermolecular cascade annulation of alkynols with alpha-ketoesters has been developed. This simple and efficient cascade annulation proceeds through a 5-exo-dig cyclization of alkynols followed by annulation with alpha-ketoester to provide a wide variety of unsaturated gamma-spiroketal-gamma-lactones (1,6-dioxaspiro[4.4]non-3-en-2-ones) related to many natural products.}, doi = {10.1039/c7cc03668j}, author = {Kambale, Digambar A. and Thorat, Sagar S. and Pratapure, Madhukar S. and Gonnade, Rajesh G. and Kontham, Ravindar} } @article {44171, title = {Linking catalyst-coated isotropic colloids into {\textquoteleft}{\textquoteleft}active{\textquoteright}{\textquoteright} flexible chains enhances their diffusivity}, journal = {ACS Nano}, volume = {11}, year = {2017}, month = {OCT}, pages = {10025-10031}, type = {Article}, abstract = {Active colloids are not constrained by equilibrium: ballistic propulsion, superdiffusive behavior, or enhanced diffusivities have been reported for active Janus particles. At high concentrations, interactions between active colloids give rise to complex emergent behavior. Their collective dynamics result in the formation of several hundred particle-strong flocks or swarms. Here, we demonstrate significant diffusivity enhancement for colloidal objects that neither have a Janus architecture nor are at high concentrations. We employ uniformly catalyst-coated, viz. chemo-mechanically, isotropic colloids and link them into a chain to enforce proximity. Activity arises from hydrodynamic interactions between enchained colloidal beads due to reaction-induced phoretic flows catalyzed by platinum nanoparticles on the colloid surface. This results in diffusivity enhancements of up to 60\% for individual chains in dilute solution. Chains with increasing flexibility exhibit higher diffusivities. Simulations accounting for hydrodynamic interactions between enchained colloids due to active phoretic flows accurately capture the experimental diffusivity. These simulations reveal that the enhancement in diffusivity can be attributed to the interplay between chain conformational fluctuations and activity. Our results show that activity can be used to systematically modulate the mobility of soft slender bodies.}, keywords = {active matter, Brownian motion, colloidal assembly, diffusivity, ice templating}, issn = {1936-0851}, doi = {10.1021/acsnano.7b04265}, author = {Biswas, Bipul and Manna, Raj Kumar and Laskar, Abhrajit and Kumar, P. B. Sunil and Adhikari, Ronojoy and Kumaraswamy, Guruswamy} } @article {45700, title = {Liquid crystalline supramolecular crosslinked polymer complexes of ditopic rylenebisimides and P4VP}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {55}, year = {2017}, month = {MAR}, pages = {951-959}, type = {Article}, abstract = {
Perylenebisimide and naphthalenebisimide (PBIPDP and NBI-PDP) end functionalized with pentadecyl phenol is designed as ditopic hydrogen bonding acceptors to form supramolecular crosslinked network with poly(4-vinyl pyridine) (P4VP). The pristine PBI-PDP has been grown as single crystals from DCM-MeOH (dichloromethane-methanol) mixture at room temperature, which revealed a P21 space group. Noticeably, the pentadecyl alkyl chain shields the aromatic perylene core on both sides resulting in the absence of p-p interaction in single-crystal assembly. The naphthalenebisimide derivative exhibits thermotropic liquid crystalline behavior, while both the molecules exhibits lyotropic liquid crystalline phases in tetrahydrofuran (THF), which were characterized using a combination of differential scanning calorimeter, X-ray diffraction, and polarized light microscopy. The hydrogen-bonded complex of both the rylenebisimides with P4VP preserves the mesomorphic properties in THF. The electron transport mobility measured by space charge limited current measurements reveals a two orders of magnitude increase in the charge transport in the P4VP complex compared to that of the pristine molecule. The average electron mobility obtained is mu(e, avg): 10(-3) cm(2)/Vs for P4VP-PBI compared to mu(e, avg): 10(-5) cm(2)/Vs for pristine PBI derivative. (C) 2017 Wiley Periodicals, Inc.
}, keywords = {crystal structures, ditopic rylenebisimide, hydrogen bonding, lyotropic liquid crystal, P4VP, Self-assembly, supramolecular crosslink, supramolecular structures}, issn = {0887-624X}, doi = {10.1002/pola.28449}, author = {Saibal, B. and Narayan, Rekha and Chithiravel, S. and Asha, S. K.} } @article {44000, title = {Living in the polymer age}, journal = {Resonance}, volume = {22}, year = {2017}, month = {APR}, pages = {333-334}, type = {Article}, doi = {10.1007/s12045-017-0472-3}, author = {Kumaraswamy, Guruswamy} } @article {44120, title = {Ln(8) (Ln = Gd, Ho, Er, Yb) Butterfly core-exhibiting magnetocaloric effect and field-induced SMM behavior for Er analouge}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {DEC}, pages = {11341-11345}, type = {Article}, abstract = {
In this article, we report four pyridyl-pyrazolyl based poly-nuclear cluster complexes with Ln(8) {Ln = [Gd-8(III)(mu(3)-OH)(4)(L-1)(4)(DEA)(4)Cl-4](DMF)(2)(MeOH)(1), [Ho-8(III)(mu(3)-OH)(4)(L-1)(4)(DEA)(4)Cl-4](2), [Er-8(III)(mu(3)-OH)(4)(L-1)(4)(DEA)(4)Cl-4](DMF)(MeOH)(H2O)(3), [Yb-8(III)(mu(3)-OH)(4)(L-1)(4)(DEA)(4)Cl-4](DMF)(MeOH)(4) [DEA = Diethanolamine] cores. The impetus for this study was to explore the magnetic behaviour of lanthanide ions which are often ignored or overlooked. X-ray crystal analysis show that these complexes are isostructural and exhibit an interesting butterfly like topology. The semi-rigidity and asymmetric nature of the ligand led to different coordination environment around the metal centres. The lanthanide ions adopt two types of geometry, a bicapped trigonal prism and a distorted square antiprismatic geometry around the metal center. Such dissimilar coordination environments around the lanthanide centre can have profound effects on their magnetic behaviour. Indeed, the magnetic measurements revealed significant magnetocaloric effect for octanuclear gadolinium complex 1 with magnetic entropy change (-Delta S-m ) of 31.4 J kg(-1) K-1 for Delta H = 9 T at T = 3 K whereas Er analogue complex 3 displayed SMM behavior.
}, doi = {10.1002/slct.201701905}, author = {Bala, Sukhen and Adhikary, Amit and Bhattacharya, Sudeshna and Sen Bishwas, Mousumi and Poddar, Pankaj and Mondal, Raju} } @article {43823, title = {Low-dimensional hybrid perovskites as high performance anodes for alkali-ion batteries}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {SEP}, chapter = {18634-18642}, abstract = {
State-of-the-art Li (or Na) ion batteries work by insertion/extraction of the alkali metal ions into a porous electrode material, where the overall capacity is strongly dependent on the accessibility of the host material interior to the ions. On the other hand, the performance stability depends on various factors governed by the specific constitution of the electrode. Here we show that molecularly engineered low-dimensional hybrid perovskites can work as excellent anode materials for alkali-ion batteries. We measure a high reversible capacity of 646 mA h g(-1) at 100 mA g(-1) with good stability tested up to 250 cycles for the benzidine mediated lead iodide based 1D system. An ex situ analysis of the electrodes reveals that the storage primarily occurs via the Li-x(or Na-x)Pb alloying/de-alloying process. We anticipate that these results open a new direction for the use of low-dimensional hybrid perovskites for energy storage applications.
}, keywords = {Generation, Inorganic-Organic Hybrid, Lead Iodide, lithiation-intramolecular electrophilic reaction, Na-Air Battery, Negative Electrodes, Organometal Halide perovskites, PB, Sequential Deposition, Solar-cells}, issn = {2050-7488}, doi = {10.1039/c7ta04529h}, author = {Tathavadekar, Mukta and Krishnamurthy, Shrreya and Banerjee, Aparna and Nagane, Satyawan and Gawli, Yogesh and Suryawanshi, Anil and Bhat, Suresh and Puthusseri, Dhanya and Mohite, Aditya D. and Ogale, Satishchandra} } @article {43715, title = {L-Proline functionalized dicationic framework of bifunctional mesoporous organosilica for the simultaneous removal of lead and nitrate ions}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {5}, year = {2017}, month = {MAY}, pages = {4188-4196}, type = {Article}, abstract = {A novel bifunctional mesoporous organosilica, PEG-functionalized bis-prolinium chloride bridged mesoporous organosilica (BPBMO) was synthesized by reacting the precursor, PEG-functionalized bis-prolinium chloride bridged organosilane (BPRIL) with tetraethyl orthosilicate (TEOS) in the presence of surfactant. The chemical conformation of BPBMO was investigated by using Fourier transform infrared (FTIR), thermogravimentric analysis (TGA), C-13, and Si-29 cross-polarization/magic angle spinning (CP/MAS) NMR techniques. The characterization represents PEG-linked-prolinium (-N+Cl-) and carboxyl (-COOH) entities, constructing the dicationic framework through siloxane (Si-O-Si) linkages. The pore-wall distribution and the periodicity of BPBMO retained during the synthesis were examined by small-angle X-ray scattering (SAXS), Brunauer-Emmett-TellerBarrett-Joyner-Halenda (BET-BJH), and transmission electron microscopy (TEM) techniques. The results revealed BPBMO as a spherical shaped solid (50-100 nm) having mesopore channels hexagonally arranged with interparticle porosity (S-BET = 487 m(2)/g and D-BJH = 5.1 nm). The material has provided active binding sites for the simultaneous removal of NO3- and Pb2+ ions when introduced in the aqueous solutions of Pb(NO3)(2) (50 mg/L, pH 6). The removal of NO3- by ion-exchange with prolinium (-N+Cl-) entities and the electrostatic interaction of Pb2+ with carboxylate (-COO-) group were characterized by using Raman spectroscopy, ion chromatography, and X-ray photoelectron spectroscopy (XPS) technique. The maximum removal of NO3- and Pia{\textquoteright} ions were achieved within 1 h of the adsorption reaction. The adsorption has followed the Langmuir isotherm model with the adsorption capacities (q(m)) of 23.04 and 21.92 mg/g for NO3- and Pb2+ ions, respectively. The efficiency of the adsorbent was also compared with other adsorbents. Further, the BPBMO material has depicted three consecutive adsorption/desorption cycles with negligible loss in the structural conformation.}, doi = {10.1021/acssuschemeng.7b00132}, author = {Dinker, Manish K. and Ajithkumar, Thalasseril G. and Kulkarni, Prashant S.} } @article {43772, title = {Magnetic reduced graphene oxide loaded hydrogels: highly versatile and efficient adsorbents for dyes and selective Cr(VI) ions removal}, journal = {Journal of Colloid and Interface Science}, volume = {507}, year = {2017}, month = {DEC}, pages = {360-369}, type = {Article}, abstract = {The formation of composites of reduced graphene oxide (rGO) and magnetic nanoparticles (MP) has flourished in recent years as they combine the advantages of both nanomaterials. Most of these composite materials are prepared by in situ formation of MP onto rGO or by the post-adsorption onto rGO. We report here on a simple and highly controlled method for the fabrication of different magnetic 3D rGO-loaded hydrogels. Cellulose bound magnetic nanoparticles (MP@cellulose) were synthesized by chemical co-precipitation and loaded together with rGO into poly(ethylene glycol) dimethacrylate based hydrogels during their fabrication using photo-polymerization. The magnetic rGO-loaded hydrogels proved to be highly adaptable to different applications. The as-formed composites allowed for efficient dye removal with an adsorption capacity of 111.9 +/- 4 mg g(-1) in the case of methylene blue (MB). Integration of poly(ethyleneimine) (PEI) allowed for the selective capturing of Cr6+ ions with an adsorption capacity of 313 12 mg g-1. Most importantly, independent of the application, the magnetic rGO-loaded hydrogel can be regenerated without loss of its adsorption capacity. (C) 2017 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.jcis.2017.07.075}, author = {Halouane, Fatima and Oz, Yavuz and Meziane, Dalila and Barras, Alexandre and Juraszek, Jean and Singh, Santosh K. and Kurungot, Sreekumar and Shaw, Pankaj K. and Sanyal, Rana and Boukherroub, Rabah and Sanyal, Amitav and Szunerits, Sabine} } @article {43969, title = {Magnetic studies of SiO2 coated CoFe2O4 nanoparticles}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {441}, year = {2017}, month = {NOV}, pages = { 683-690}, type = {Journal Article}, abstract = {Oleic acid capped CoFe2O4 nanoparticles which exhibit a high coercivity of \~{}9.47 kOe at room temperature were coated with a robust coating of SiO2. We have used chemical synthesis method to obtain SiO2 coated CoFe2O4 nanoparticles with different weight percentages of CoFe2O4 in SiO2 (1.5, 3.1 and 4.8 wt.\%). The morphological investigation of the coated nanoparticles by transmission electron microscopy shows that the particles are spherical with average size \~{}160 nm. Infrared spectroscopy reveals that oleic acid capping on the surface of CoFe2O4 nanoparticles is retained after silica coating process. The complete coating of SiO2 on CoFe2O4 nanoparticles is confirmed by X-ray photoelectron spectroscopy as there is no signature of cobalt or iron ions on the surface. Magnetic measurements show that coercivity of SiO2 coated CoFe2O4 particles remains more or less unaffected as in CoFe2O4 nanoparticles at room temperature. In addition, the temperature dependent magnetic measurements show that at 5 K the CoFe2O4 and SiO2 coated 1.5 wt.\% CoFe2O4 samples exhibit a very high value of coercivity (\~{}20 kOe) which is more than twice as compared to room temperature coercivity value (\~{}9.47 kOe). We conclude that silica coating in our study does not significantly affect the coercivity of CoFe2O4 nanoparticles.}, keywords = {Coatings, coercive force, High Resolution Transmission Elctron Microscopy, infrared spectroscopy, Magnetic materials}, doi = { 10.1016/j.jmmm.2017.06.061}, author = {Limaye, M.V.}, editor = {Singh, S.B.} } @article {43780, title = {Magnetoelastic properties of terbium substituted cobalt ferrite}, journal = {Chemical Physics Letters}, volume = {685}, year = {2017}, month = {OCT}, pages = {465-469}, type = {Article}, abstract = {The magnetic properties of terbium substituted cobalt ferrites CoFe(2-x)TbxO(4) (x = 0, 0.05, 0.1, 0.15 and 0.2) prepared by conventional solid state method are studied. The coercivity showed marked increase up to x = 0.1 and saturation magnetization decreased with increasing terbium content. Magnetostriction measurements did not show much decrease in the maximum value of strain but significant increase in the slope of magnetostriction was observed for x = 0.15 with moderate magnetostriction of around 144 ppm. The observed magnetic and magnetostrictive properties can be explained on the basis of structural and microstructural changes arising because of terbium substitution. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cplett.2017.08.006}, author = {Bhame, Shekhar D. and Joy, Pattayil Alias} } @article {43987, title = {Manganese incorporated on glucose as an efficient catalyst for the synthesis of adipic acid using molecular O2 in aqueous medium}, journal = {Applied Catalysis A: General}, volume = {546}, year = {2017}, month = {SEP}, pages = {122-125}, type = {Journal Article}, abstract = {A new manganese incorporated on glucose catalyst Mn@CC-SO3H-NH2 was synthesized and well characterized using FT-IR, PXRD, EDAX, SEM, TEM, [13] C cross-polarization NMR and BET analysis. The catalyst thus synthesized was studied for its utility in the synthesis of industrially important chemical adipic acid starting from readily available cyclohexanone using molecular O2 as a source. Adipic acid was obtained in maximum yield of 82\% using Mn@CC-SO3H-NH2 catalyst in water as a solvent. The catalyst was easily recovered and reused for minimum five runs without any significant loss in the yield of products. Using molecular O2 as an oxidant and water as a solvent, the reaction is very important from green chemistry perspectives and can also be industrially feasible. }, keywords = {Adipic Acid, Catalyst, manganese, recyclable, Water}, doi = {10.1016/j.apcata.2017.08.008}, author = {Nale, S.D.}, editor = {Rathod, P. V.} } @article {43790, title = {Mapping architectural and transcriptional alterations in non-lesional and lesional epidermis in vitiligo}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {AUG}, type = {Article}, abstract = {In vitiligo, chronic loss of melanocytes and consequent absence of melanin from the epidermis presents a challenge for long-term tissue maintenance. The stable vitiligo patches are known to attain an irreversible depigmented state. However, the molecular and cellular processes resulting in this remodeled tissue homeostasis is unclear. To investigate the complex interplay of inductive signals and cell intrinsic factors that support the new acquired state, we compared the matched lesional and non-lesional epidermis obtained from stable non-segmental vitiligo subjects. Hierarchical clustering of genome-wide expression of transcripts surprisingly segregated lesional and non-lesional samples in two distinct clades, despite the apparent heterogeneity in the lesions of different vitiligo subjects. Pathway enrichment showed the expected downregulation of melanogenic pathway and a significant downregulation of cornification and keratinocyte differentiation processes. These perturbations could indeed be recapitulated in the lesional epidermal tissue, including blunting of rete-ridges, thickening of stratum corneum and increase in the size of corneocytes. In addition, we identify marked increase in the putrescine levels due to the elevated expression of spermine/spermidine acetyl transferase. Our study provides insights into the intrinsic self-renewing ability of damaged lesional tissue to restore epidermal functionality in vitiligo.}, doi = {10.1038/s41598-017-10253-w}, author = {Singh, Archana and Gotherwal, Vishvabandhu and Junni, Paivi and Vijayan, Vinaya and Tiwari, Manisha and Ganju, Parul and Kumar, Avinash and Sharma, Pankaj and Fatima, Tanveer and Gupta, Aayush and Holla, Ananthaprasad and Kar, Hemanta K. and Khanna, Sangeeta and Thukral, Lipi and Malik, Garima and Natarajan, Krishnamurthy and Gadgil, Chetan J. and Lahesmaa, Riitta and Natarajan, Vivek T. and Rani, Rajni and Gokhale, Rajesh S.} } @article {45663, title = {Mapping of optimum operating condition for LiBr-water refrigeration cycles}, journal = {Sadhana: Academy Proceedings in Engineering Sciences}, volume = { 42 }, year = {2017}, month = {FEB}, pages = {257-269}, type = {Article}, abstract = {
In this work, optimum operating condition maps are generated covering wide ranges of refrigeration and sink temperatures for single-and double-effect LiBr-water vapour absorption refrigeration cycle. These optimum condition maps will be useful to choose optimum operating conditions while designing LiBr-water cycle for desired applications. Methodology for generating such maps is discussed in detail, which can also be used for other absorption refrigeration cycles with various working fluids. Three configurations of LiBr-water absorption refrigeration cycles, single effect, double-effect series flow and double-effect parallel flow, are analysed with the most accurate thermodynamic property correlation available in the literature. Sensitivity of cycle performance to various operating variables such as generator, absorber and condenser temperatures is determined. Second law analysis shows that when a higher temperature heat source is available, double-effect cycles are more effective over single effect as they have higher coefficient of performance.
}, doi = {10.1007/s12046-017-0597-9}, author = {Mali, Nilesh A. and Bhagwat, Sunil S.} } @article {44139, title = {Mass spectrometry based identification of galectin-3 interacting proteins potentially involved in lung melanoma metastasis}, journal = {Molecular Biosystems}, volume = {13}, year = {2017}, month = {NOV}, pages = {2303-2309}, type = {Article}, abstract = {Adhesive interactions between molecules on tumor cells and those on target organs play a key role in organ specific metastasis. Poly-N-acetyl-lactosamine (polyLacNAc) substituted N-oligosaccharides on melanoma cell surface glycoproteins promote lung specific metastasis via galectin-3 by facilitating their arrest and extravasation. This study reports the identification and characterization of galectin-3 interacting proteins using a combination of galectin-3 sepharose affinity and leucoagglutinating phytohemagglutinin (L-PHA) columns. A total of 83 proteins were identified as galectin-3 interacting glycoproteins, of which 35 were constituents of the L-PHA bound fraction, suggesting that these proteins carry polyLacNAc substituted beta 1,6 branched N-glycans. The identities of some of these proteins, like LAMP-1, LAMP-3, basigin, embigin, and alpha 5 and beta 1 Integrin, have been confirmed by western blotting, and functional relevance with respect to metastatic properties has been established.}, doi = {10.1039/c7mb00260b}, author = {Dange, Manohar C. and Bhonsle, Hemangi S. and Godbole, Rashmi K. and More, Shyam K. and Bane, Sanjay M. and Kulkarni, Mahesh J. and Kalraiya, Rajiv D.} } @article {43876, title = {MCM-41-supported phosphotungstic acid-catalyzed cleavage of C-O bond in allyl aryl ethers}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {JUN}, pages = {4943-4949}, type = {Article}, abstract = {Removal of the protecting allyl group from allyl aryl ethers in the presence of other oxygen protecting groups was successfully achieved using a solid acid supported on the high surface area material MCM-41. The catalyst showed excellent activity in the presence of various electron withdrawing, electron donating, and oxidizable functional groups. The methodology is also very useful for the removal of protecting allyl groups of various natural products such as vanillin, isovanillin, and other oxygen functionalized aldehydes and ketones.}, doi = {10.1039/c7nj00375g}, author = {Sakate, Sachin S. and Kamble, Sumit B. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {45755, title = {Mechanism of unfolding of human prion protein}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {JAN}, pages = {550-564}, type = {Article}, abstract = {Misfolding and aggregation of prion proteins are associated with several neurodegenerative diseases. Therefore, understanding the mechanism of the misfolding process is of enormous interest in the scientific community. It has been speculated and widely discussed that the native cellular prion protein (PrPC) form needs to undergo substantial unfolding to a more stable PrPC* state, which may further oligomerize into the toxic scrapie (PrPSc) form. Here, we have studied the mechanism of the unfolding of the human prion protein (huPrP) using a set of extensive well-tempered metadynamics simulations. Through multiple microsecond-long metadynamics simulations, we find several possible unfolding pathways. We show that each pathway leads to an unfolded state of lower free energy than the native state. Thus, our study may point to the signature of a PrPC*. form that corresponds to a global minimum on the conformational free-energy landscape. Moreover, we find that these global minima states do not involve an increased beta-sheet content, as was assumed to be a signature of PrPSc formation in previous simulation studies. We have further analyzed the origin of metastability of the PrPC form through free energy surfaces of the chopped helical segments to show that the helices, particularly H2 and H3 of the prion protein, have the tendency to form either a random coil or a beta-structure. Therefore, the secondary structural elements of the prion protein are only weakly stabilized by tertiary contacts and solvation forces so that relatively weak perturbations induced by temperature, pressure, pH, and so forth can lead to substantial unfolding with characteristics of intrinsically disordered proteins.}, doi = {10.1021/acs.jpcb.6b11416}, author = {Singh, R. K. and Chamachi, N. G. and Chakrabarty, S. and Mukherjee, A.} } @article {43358, title = {Mechanistic aspects of wet and dry CO oxidation on Co3O4 nanorod surfaces: a NAP-UPS study}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {MAR}, pages = {828-834}, type = {Jouranl Article}, abstract = {
Catalytic activity, electronic structure, and the mechanistic aspects of Co3O4 nanorod (NR) surfaces have been explored for CO oxidation in dry and wet atmosphere using near-ambient pressure ultraviolet photoelectron spectroscopy. Presence of water with CO + O2 plummets the catalytic activity because of the change in the electronic nature from predominantly oxide (without water in feed) to a Co3O4 surface covered by a few intermediates. However, at >=375 K, the Co3O4 surface recovers and regains the oxidation activity, at least partially, even in the presence of water. This is fully supported by the changes observed in the work function of Co3O4 under wet (H2O + CO + O2) conditions compared with dry (CO + O2) conditions. This study focuses on the comparative CO oxidation rate on Co3O4 NR surfaces and highlights the changes in the electronic structure that occur in the catalyst during the CO oxidation reaction.
}, keywords = {Catalyst, Nano Structures, Power X-Ray Diffraction, spectra, Water Vapor}, doi = {10.1021/acsomega.6b00471}, author = {Ruchi Jain and Gnanakumar, Edwin S. and Gopinath, Chinnakonda S.} } @article {45694, title = {Mechanistic investigation of the carbon-iodine bond activation on the niobium-carbon cluster}, journal = {ACS Omega}, volume = {2 }, year = {2017}, month = {SEP}, pages = {5335-5347}, type = {Article}, abstract = {
The activation process of carbon-iodine (C-I) bond on neutral and cationic niobium metcars (Nb8C12) is investigated using density functional theory and related computational techniques. Metallocarbohedrenes or metcars are a class of stable metal-carbide clusters of specific stoichiometry and of great interest to cluster chemists since their first discovery. The detailed reaction mechanism along with the overall energy profile of the C-I dissociation reaction on niobium metcar and its cations is presented in this paper. The tunneling-corrected rate constants and their related reaction parameters such as the pre-exponential factor are also included alongside. The major differences between the reaction mechanism of the neutral and cationic metcars are also highlighted as well. Despite the available experimental results, the C-I bond dissociation on metcars has remained an unexplored problem in the theoretical and computational domains. Thus, the present investigation can fill in the gap and may also provide new insights provoking further developments in cluster and materials chemistry in future.
}, doi = {10.1021/acsomega.7b00894}, author = {Sengupta, Turbasu and Khan, Muntazir S. and Pal, Sourav} } @article {43689, title = {Mechanistic study of nucleophilic fluorination promoted by tri-tert-butanolamine}, journal = {Journal of Fluorine Chemistry}, volume = {197}, year = {2017}, month = {MAY}, pages = {80-86}, type = {Article}, abstract = {Quantum chemical study is carried out to elucidate the mechanism of S(N)2 fluorination using. CsF promoted by tri-tert-butanolamines. Focus is on the role of the hydroxyl (OH) and the amine functional groups for accelerating the reaction. Our systematic analysis indicates that the OH groups form strong interactions with the nucleophile F-. Thus, it seems that hydrogen bonding with the nucleophile may accelerate the S(N)2 processes rather than retard them, as conventional wisdom suggests. The origin of the experimentally observed improvement of the promotor efficiency in t-butanol solvent over that in CH3CN is examined. We show that the coordination of the solvent t-butanol molecule as Lewis base on the counter-cation Cs+ lowers the Gibbs free energy of activation. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jfluchem.2017.03.013}, author = {Lee, Sung-Sik and Jung, Hyun-Kyung and Shinde, Sandip S. and Lee, Sungyul} } @article {45740, title = {Mechanochemical synthesis of N-salicylideneaniline: thermosalient effect of polymorphic crystals}, journal = {IUCRJ}, volume = {4}, year = {2017}, month = {MAY}, pages = {243-250}, type = {Article}, abstract = {
Polymorphs of the dichloro derivative of N-salicylideneaniline exhibit mechanical responses such as jumping (Forms I and III) and exploding (Form II) in its three polymorphs. The molecules are connected via the amide N-H center dot center dot center dot O dimer synthon and C-Cl center dot center dot center dot O halogen bond in the three crystal structures. A fourth high-temperature Form IV was confirmed by variable-temperature single-crystal X-ray diffraction at 180 degrees C. The behaviour of jumping exhibited by the polymorphic crystals of Forms I and III is due to the layered sheet morphology and the transmission of thermal stress in a single direction, compared with the corrugated sheet structure of Form II such that heat dissipation is more isotropic causing blasting. The role of weak C-Cl center dot center dot center dot O interactions in the thermal response of molecular crystals is discussed.
}, keywords = {crystal design, crystal engineering, Halogen bonding, hydrogen bonding, intermolecular interactions, materials science, mechanochemistry, polymorphism}, issn = {2052-2525}, doi = {10.1107/S2052252517004043}, author = {Mittapalli, Sudhir and Perumalla, D. Sravanakumar and Nangia, Ashwini} } @article {43647, title = {Medium constituents mediated engineering for size and shape tuning of gold nanocrystallites}, journal = {Journal of Industrial and Engineering Chemistry}, volume = {51}, year = {2017}, month = {JUL}, pages = {288-294}, abstract = {The current investigation introduces the utilization of cell culture mediums as a novel source for the one plot synthesis as well as stabilization of metal nanoparticles. By varying the medium constituents we could control the size and shape distributions of the gold nanoparticles. Nanospheres of diameter 24 +/- 6 nm and 19 +/- 5 nm were produced using DMEM and M199 mediums respectively, nanoneedles of 150 +/- 50 nm using RPMI medium and nanoflowers of 60 +/- 25 nm using IMDM medium, with an overall yield of 91 +/- 2\%. A remarkable decrease in the reaction duration (<3 min) was noted, irrespective of the growth mediums used. Fourier transform infrared spectroscopy and zeta potential measurements revealed them to have a common protenacious encapping agent with different overall surface charges of -23 +/- 3, -21 +/- 1, -24 +/- 2, and -20 +/- 1 mV for Au@DMEM, Au@RPMI, Au@IMDM and Au@M199 respectively. X-ray diffraction confirmed the purity and crystallinity of the particles with Bragg peaks at (111), (200), (220) and (311) for gold nanocrystals. This approach could lead to the creative utilization of novel eco-friendly sources for the production and size/shape control of nanoparticles. Moreover, the adopted methodology is absolutely green, robust and facile, offering new insights for sustainable synthesis for various biomedical and engineering applications. (C) 2017 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jiec.2017.03.015}, author = {Suresh, Anil K. and Vijay, Veena and Hameed, Bahrudeen S. and Ramasamy, Sureshkumar and Sakthivel, Natarajan} } @article {45743, title = {Metal free acid base catalyst in the selective synthesis of 2,5-diformylfuran from hydroxynnethylfurfural, fructose, and glucose}, journal = {ACS Sustainable Chemistry \& Engineering }, volume = {5}, year = {2017}, month = {JAN}, pages = {701-707}, type = {Article}, abstract = {A novel metal free acid-base (CC-SO3H-NH2) catalyst was synthesized by introducing acidic -SO3H, -COOH, and silyloxypropylamine (-OSiCH2CH2CH2NH2) functional groups on glucose derived carbocatalyst. The catalyst was characterized by Fourier transform infrared (FTIR), powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) analyses. Superior catalytic activity was shown by the catalyst toward one-pot synthesis of DFF using molecular oxygen as the sole oxidant. The catalyst was found to be highly selective in synthesis of 2,5-diformylfuran (DFF) from hydroxymethylfurfural (HMF), fructose, and, more importantly, from glucose with excellent yields. Moreover, the catalyst was easily recycled and reused without any significant loss in its catalytic activity.}, doi = {10.1021/acssuschemeng.6b02053}, author = {Rathod, P. V. and Nale, S. D. and Jadhav, V. H.} } @article {43868, title = {Metal free mild and selective aldehyde cyanosilylation by a neutral penta-coordinate silicon compound}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUN}, abstract = {This study demonstrates the preparation and structural characterization of a Si(IV) hydride (PhC(NtBu)(2)SiH(CH3)Cl) (1) and its use as a catalyst for the cyanosilylation of a variety of aldehydes. Compound 1 represents the first neutral penta-coordinate silicon(IV) species that catalyzes cyanosilylation of aldehydes under mild conditions.}, doi = {10.1039/c7cc03948d}, author = {Swamy, V. S. V. S. N. and Bisai, Milan Kumar and Das, Tamal and Sen, Sakya S.} } @inbook {45815, title = {Metal-catalyzed condensation polymerization}, booktitle = {Metal-catalyzed polymerization: fundamentals to applications}, year = {2017}, pages = {203-220}, publisher = {CRC Press}, organization = {CRC Press}, chapter = {Metal-catalyzed condensation polymerization}, abstract = {
Conjugated polymers are semiconducting materials and an integral component of solar cells and other optoelectronic gadgets, which are important as environment-friendly devices. Conjugated polymers are less expensive than inorganic materials and are easy to process, hence several synthetic methods have been developed based on transition metal-catalyzed polycondensation involving sp2 -sp2 C-C bond formation for their production. The coupling reaction between monomers involves the following steps: (a) metal-catalyzed oxidative addition (as presented in Chapter 1) across the C-X bond of the monomer; (b) transmetallation with a main group organometallic compound; and (c) reductive elimination (as presented in Chapter 1) yielding the C-C bond formation and regeneration of the active catalyst, which are typical in a C-C bond formation catalyzed by organometallic complex (Figure 7.1). 1 The reactions are characterized by mild conditions, tolerance to many functional groups, and possibility of synthesizing regioregular polymers.
}, doi = {10.1201/b19905}, author = {Ambade, A. V.} } @article {43907, title = {Metal-free, br{\o}nsted acid-catalyzed formal [3+2] annulation of quinone monoacetals with 2-naphthols}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {SEP}, type = {Article}, abstract = {An operationally simple and metal-free cross-coupling of quinone monoacetals (QMAs) with 2-naphthols catalyzed by triflic acid is reported. This formal [3+2] annulation allowed the synthesis of diverse naphtho[2,1-b]benzofuranderivatives in moderate to good yields. Preliminary mechanistic studies reveal the initial nucleophilic substitution of QMAs with 2-naphthols in preference to the mixed acetal formation and subsequent [3,3] sigmatropic rearrangement.}, doi = {10.1021/acs.joc.7b02033}, author = {Jacob, Anu and Roy, Tony and Kaicharla, Trinadh and Biju, Akkattu T.} } @article {43869, title = {Metal-free radical trifluoromethylation of beta-nitroalkenes through visible-light photoredox catalysis}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUN}, pages = {6760-6763}, type = {Article}, abstract = {A catalytic method for functional group interconversion is immensely important in modern sciences. Here, we report an efficient catalytic conversion of nitroalkenes to highly stereoselective 1-trifluoromethylalkenes at room temperature. This unprecedented metal-free photocatalytic strategy is simple and operates under visible-light irradiation using the commercially available CF3 source.}, doi = {10.1039/c7cc02589k}, author = {Midya, Siba P. and Rana, Jagannath and Abraham, Thomas and Aswin, Bhaskaran and Balaraman, Ekambaram} } @article {44169, title = {Metallic cobalt to spinel Co3O4-electronic structure evolution by near-ambient pressure photoelectron spectroscopy}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {OCT}, pages = {21472-21481}, type = {Article}, abstract = {
In the present study, valence band (VB) and core level photoelectron spectroscopy was carried out to investigate the electronic structural changes from polycrystalline Co to spinel Co3O4, via CoO at near ambient pressures (NAP; similar to 0.1). O-2 Co and H-2-CoOx gas solid oxidative and reductive interactions, respectively, have been explored with UV photons (He I) or low kinetic energy electrons (\<= 16 eV) under NAP conditions. Typical VB features of Co metal, CoOx Co3O4, and a mixed phase between any two adjacent features were observed and well corroborated with core level changes. Very significant and characteristic changes were observed with Co 3d features in the VB for each stage from Co oxidation to Co3O4 as well as Co3O4 reduction to CoOx Co(3O)4 and CoO can be reversibly obtained by alternating the conditions between 0.1 mbar of H-2 at 650 K and 0.1 mbar of O 2 at 400 K, respectively. A meaningful correlation is observed between the changes in work function with cation oxidation state; small changes in the stoichiometry can strongly influence the shift in Fermi level and changes in work function under NAP conditions. Reversible work function changes are observed at a constant BE (similar to 5 ev) between oxidation and reduction conditions. While the O 2 p derived feature for CoOx was observed at throughout the redox conditions, the Co 3d band and molecular oxygen or hydrogen vibration feature shifts significantly underscoring the physicochemical changes, such as charge transfer energy and hence changes in satellite intensity. The peak close to E-F originated from the 3d(6)L final state of the octahedral Co3+ 3d band of Co3O4.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b06661}, author = {Reddy, Kasala Prabhakar and Jain, Ruchi and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S.} } @article {43803, title = {Method for the analysis of free carbenes present after NHC-organocatalyzed transformations}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {AUG}, pages = {4500-4506}, type = {Article}, abstract = {In N-heterocyclic carbene (NHC) based organocatalysis, usually, the free carbene is generated in situ by treatment of the azolium salt with a base. Described herein is a method for the analysis of the NHC present in the reaction flask after the NHC-organocatalyzed reaction. For this, the reaction mixture was treated with elemental sulfur after the reaction and the thus-formed thiourea/thione derivative was isolated. Common NHC-catalyzed transformations such as benzoin reactions, Stetter reactions, homoenolate annulation reactions, and reactions proceeding via the ,-unsaturated acylazolium intermediate have been studied. The results indicate that after the reactions, 28-84\% of the initial carbenes exist in the free form.}, doi = {10.1002/ejoc.201700903}, author = {Das, Tamal Kanti and Biju, Akkattu T.} } @article {44140, title = {Methylglyoxal attenuates insulin signaling and downregulates the enzymes involved in cholesterol biosynthesis}, journal = {Molecular Biosystems}, volume = {13}, year = {2017}, month = {NOV}, pages = {2338-2349}, type = {Article}, abstract = {
Methylglyoxal (MG) is a highly reactive dicarbonyl known to be elevated under the hyperglycemic conditions of diabetes and is implicated in the development of diabetic complications. Therefore, the current study investigates the role of MG in exacerbating insulin resistance at the insulin signaling level, as well as its effect on the global proteomic level. By using insulin sensitive rat muscle cells (L6) and Chinese hamster ovary (CHO) cells stably expressing the insulin receptor (IR) and a glucose transporter fused with green fluorescent protein (GLUT4-GFP), we have observed that MG impairs insulin signaling, inhibits GLUT4 translocation and reduces glucose uptake. SWATH MS analysis, a label-free quantitative mass spectrometric approach, showed altered expression of 99 proteins out of 2404 identified in response to MG treatment. These proteins are mainly involved in stress response, protein folding and proteolysis. Some of the deregulated proteins such as thioredoxin 2, glutathione S transferase, T complex protein 1 subunit beta (tcbp1), heat shock protein 90 and E3 ubiquitin ligase were previously reported to be associated with either diabetes or insulin resistance. Interestingly, aminoguanidine (AMG), a potent dicarbonyl scavenger, restored the deleterious effects of MG. For the first time, we report that MG induces downregulation of enzymes involved in cholesterol biosynthesis such as acetyl-CoA acetyltransferase, hydroxymethylglutaryl-CoA synthase, farnesyl pyrophosphate synthetase, squalene monooxygenase, and lanosterol synthase. GC MS analysis for sterol metabolites corroborated the proteomic results; MG significantly reduced cholesterol production whereas AMG treatment restored cholesterol production to levels similar to the control. Thus, MG leads to primary defects in insulin signaling and cellular abnormalities at the proteomic and metabolic levels, both of which may contribute to the development of insulin resistance.
}, doi = {10.1039/c7mb00305f}, author = {Deshmukh, Arati B. and Bai, Shakuntala and Aarthy, T. and Kazi, Rubina S. and Banarjee, Reema and Rathore, Rajeshwari and Vijayakumar, M. V. and H. V. Thulasiram and Bhat, Manoj Kumar and Kulkarni, Mahesh J.} } @article {43977, title = {MgFeCe ternary layered double hydroxide as highly efficient and recyclable heterogeneous base catalyst for synthesis of dimethyl carbonate by transesterification}, journal = {Catalysis Letters}, volume = {147}, year = {2017}, month = {OCT}, pages = { 2558-2569}, type = {Journal Article}, abstract = {A series of Mg3:Fex + Ce1-x LDHs (3:1) were synthesized by co-precipitation method by varying molar ratio of Fe:Ce between 1:0 to 0:1 (LDH-1 to LDH-6). All synthesized LDHs were characterized by XRD, FT-IR, TEM, N2 sorption, benzoic acid titration and XPS in detail and evaluated for selective synthesis of dimethyl carbonate by transesterification of ethylene carbonate with methanol. It was demonstrated that the structural and basic properties of synthesized LDHs were strongly dependent on the Fe:Ce molar ratio (Ce concentration). The correlation between their physicochemical properties and catalytic performance was studied in detail. Among all synthesized LDHs the best result was obtained with LDH-3 (Fe:Ce = 0.85:0.15) where LDH structure remained intact, and showed high number of strong basic sites on LDH surface. LDH-3 was recycled 7 times while maintaining high catalyst activity and selectivity towards DMC. The obtained results elucidate the important role of Ce in modifying the basic properties of LDH in enhancing the catalytic activity for DMC synthesis. Graphical Abstract: [Figure not available: see fulltext.]. {\textcopyright} 2017, Springer Science+Business Media, LLC.}, keywords = {Dimethyl carbonate, ethylene carbonate, Mg{\textendash}Fe{\textendash}Ce Ternary Hydrotalcite, transesterification}, doi = {10.1007/s10562-017-2146-x}, author = {Nivangune, N. T.}, editor = {Ranade, V. V.} } @article {43356, title = {Micelles versus Ribbons: how congeners drive the self-assembly of acidic sophorolipid biosurfactants}, journal = {ChemPhysChem}, year = {2017}, month = {MAR}, pages = {643-652}, type = {Journal }, abstract = {
Sophorolipids (SLs), a class of microbially derived biosurfactants, are reported by different research groups to have different self-assembled structures (either micelles or giant ribbons) under the same conditions. Here we explore the reasons behind these contradictory results and attribute these differences to the role of specific congeners that are present in minute quantities. We show that a sample composed of a majority of oleic acid (C18:1) sophorolipid in the presence of only 0.5 \% (or more) of congeners with stearic acid (C18:0) or linoleic acid (C18:2) results in the formation of micelles that are stable over long periods of time. Conversely, the presence of only 10 to 15 \% of congeners with a stearic acid chain gives fibrillar structures instead of micelles. To study the mechanisms responsible, oleic acid SLs devoid of any other congeners were prepared. Very interestingly, this sample can self-assemble into either micelles or fibers depending on minute modifications to the self-assembly conditions. The findings are supported by light scattering, small-angle X-ray scattering, transmission electron microscopy under cryogenic conditions, high-pressure liquid chromatography, and NMR spectroscopy.
}, doi = {10.1002/cphc.201601323}, author = {Dhasaiyan, Prabhu and Griel, Patrick Le and Roelants, Sophie and Redant, Emile and Bogaert, Inge N. A. Van and Prevost, Sylvain Francois and Prasad, Bhagavatula L. V. and Baccile, Niki} } @article {43989, title = {Microreactor-based continuous process for controlled synthesis of poly-methyl-methacrylate-methacrylic acid (PMMA) nanoparticles}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {APR}, pages = {3404-3417}, type = {Article}, abstract = {We have developed a microreactor-based continuous process for synthesizing PMMA nanoparticles (NPs), based on the principle of nanoprecipitation. Our objective was to identify the critical parameters governing the size of nanoparticles, produced in microreactors, to enable reproducible synthesis of mono-disperse particles. Experiments were carried out in a microreactor, where parameters like flow rates of aqueous and organic phases, residence time and polymer concentrations were varied to examine their influence on particle size and homogeneity. The results from Dynamic Light Scattering confirmed that the particle size decreased with decreasing residence time, whereas when the aqueous to organic phase flow rate ratio was changed sequentially from 9 : 1, 4 : 1, 7 : 3, 3 : 2, to 1 : 1 (v/v), the particle size increased. Particles fabricated using a microreactor demonstrated a narrow and homogenous distribution, thus confirming their monodispersity. TEM, SEM and XRD were also performed for morphology analysis and phase identification of the particles. Further, paclitaxel encapsulated PMMA nanoparticles were prepared using the microreactor, demonstrating an increase in mean size of around 30 nm and a slightly higher polydispersity index compared to the blank nanoparticles. The drug encapsulation efficiency and drug release kinetics of these nanoparticles were comparable to those prepared in batch-experiments, thus establishing the suitability of the technology for preparing drug-loaded nanoparticles. Also, it was observed that at all the residence times (10 min to 10 s), about 80\% of the polymer got transformed into nanoparticulate form, thus confirming the efficiency of the microreactor. In recent times, much work has been conducted to synthesize polymeric nanoparticles using different types of microreactors, but they lack detailed investigation of the effect of various parameters on the physiochemical properties of the resulting particles. Our investigation synthesizes PMMA NPs, using microreactor technology, for the very first time, to the best of our knowledge. Furthermore, we have performed a detailed analysis of the influence of various process parameters on the size and uniformity of the resulting nanoparticles. These critical parameters can serve as a useful tool to synthesize a myriad of nanoparticles of alternative polymers, using microreactor technology.}, doi = {10.1039/C7TB02344H}, author = {Dobhal, Anurag and Kulkarni, Amol and Dandekar, Prajakta and Jain, Ratnesh} } @article {44020, title = {Microvirga indica sp. Nov., an arsenite-oxidizing alphaproteobacterium, isolated from metal industry waste soil}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {67}, year = {2017}, month = {SEP}, pages = {3525-3531}, type = {Journal Article}, abstract = {A novel Gram-stain-negative bacterium, strain S-MI1bT, belonging to the genus Microvirga was isolated from a metal industry waste soil sample in Pirangut village, Pune District, Maharashtra, India. Cells were non-spore-forming, small rod-shapes, motile and strictly aerobic with light-pink colonies. The strain grew in 0-7.0 \% (w/v) NaCl and at 25-45 {\textdegree}C, with optimal growth at 40 {\textdegree}C. The predominant fatty acids detected were summed feature 8 (C18 : 1 ω7c and/or C18 : 1 ω6c) and C19 : 0 cyclo ω8c. The predominant isoprenoid quinone was Q-10. The G+C content was 67.2 mol\% and DNA-DNA relatedness values between strain S-MI1bTand Microvirga subterranea DSM 14364T and Microvirgaaerophila 5420S-12T were 53.9 and 54.8 \%, respectively. Phylogenetic analysis, based on 16S rRNA gene sequences, indicated that strain S-MI1bT is a member of the genus Microvirga, with greatest sequence similarities of 97.7 and 97.4 \% with M. subterranea DSM 14364T and M.aerophila 5420S-12T, respectively. Phylogenetic analysis showed that strain S-MI1bT forms a clade with the type strain of M. subterranea DSM 14364T, and was readily distinguishable from it due to various phenotypic characteristics. The combination of genotypic and phenotypic data suggests that the isolate represents a novel species of the genus Microvirga, for which the name Microvirga indica sp. nov. is proposed. The type strain is S-MI1bT (=NCIM-5595T=KACC 18792T=BCRC 80972T)}, doi = { 10.1099/ijsem.0.002157}, author = {Tapase, S. R.}, editor = {Mawlankar, R. B.} } @article {43911, title = {Microwave assisted batch and continuous flow synthesis of palladium supported on magnetic nickel nanocrystals and their evaluation as reusable catalyst}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {AUG}, pages = {5163{\textendash}5169}, type = {Article}, abstract = {Palladium nanocrystals (NCs) supported on nickel NCs (Pd/Ni) were synthesized in a continuous flow manner by the microwave-assisted method in the presence and absence of oleylamine. Parameters optimized for batch experiments were considered while performing continuous flow synthesis. The Pd/Ni NCs synthesized in the presence of oleylamine displayed good catalytic activity for hydrogenation of aromatic nitro compounds, and those bearing alkene, and alkyne moieties. The ferromagnetic character of the supporting nickel NCs allowed the recovery of the catalyst and these recovered catalysts could be reused several times.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.7b00639}, author = {Nikam, Arun V. and Kulkarni, Amol A. and Prasad, Bhagavatula L. V.} } @inbook {45780, title = {Microwave-assisted extraction of carvone from carum carvi}, booktitle = {Novel water treatment and separation methods simulation of chemical processes}, year = {2017}, pages = {356}, publisher = {CRC Press}, organization = {CRC Press}, edition = {1 }, chapter = {Microwave-assisted extraction of carvone from carum carvi}, address = {New York}, abstract = {
Due to increasing demand for potable and irrigation water, new scientific research is being conducted to deal with wastewater from a variety of sources. Novel Water Treatment and Separation Methods: Simulation of Chemical Processes presents a selection of research related to applications of chemical processes for wastewater treatment, separation techniques, and modeling and simulation of chemical processes. Among the many topics are: degradation of herbicide removal of anionic dye efficient sun-light driven photocatalysis removal of copper and iron using green activated carbon defluoridation of drinking water removal of calcium and magnesium from wastewater using ion exchange resins degradation of vegetable oil refinery wastewater novel separation techniques, including microwave-assisted extraction and more The volume presents selected examples in wastewater treatment, highlighting some recent examples of processes such as photocatalytic degradation, emulsion liquid membrane, novel photocatalyst for degradation of various pollutants, and adsorption of heavy metals. The book goes on to explore some novel separation techniques, such as microwave-assisted extraction, anhydrous ethanol through molecular sieve dehydration, batch extraction from leaves of Syzygium cumini (known as jambul, jambolan, jamblang or jamun), and reactive extraction. These novel separation techniques have proved be advantageous over conventional methods. The volume also looks at modeling and simulation of chemical processes, including chapters on flow characteristics of novel solid-liquid multistage circulating fluidized bed, mathematical modeling and simulation of gasketed plate heat exchangers, optimization of the adsorption capacity of prepared activated carbon, and modeling of ethanol/water separation by pervaporation, along with topics on simulation using CHEMCAD software.
}, isbn = {978-177188578-2}, issn = {978-1771885782}, doi = {10.1201/9781315225395}, author = {Borole, O. D. and Shirsath, S. R. and Gaikwad, S. G.} } @article {43794, title = {Microwave-assisted synthesis of 5-substituted 1H-tetrazoles via [3+2] cycloaddition over a heterogeneous Cu-based catalyst: application to the preparation of N-13-labelled tetrazoles}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {AUG}, pages = {8084-8091}, type = {Article}, abstract = {The [3+2] cycloaddition between various nitriles and sodium azide proceeds smoothly in the presence of a new Cu-II catalyst in N-methyl-2-pyrrolidone (NMP) to give the corresponding 5-substituted 1H-tetrazoles. The desired tetrazoles were obtained in high yields within 3-30 min by employing controlled microwave heating. The reaction most probably proceeds through the activation of the nitrile groups by the Cu-II species, followed by a successive [3+2] cycloaddition with the sodium azide. The good performance of the catalyst enabled the preparation of selected tetrazoles labelled with the positron emitter nitrogen-13 even under conventional heating. The short reaction time, simple work-up procedure, and recyclability of the catalyst are advantages of the method reported here.}, doi = {10.1039/c7nj00568g}, author = {Joshi, Sameer M. and Mane, Rasika B. and Pulagam, Krishna R. and Gomez-Vallejo, Vanessa and Llop, Jordi and Rode, Chandrashekhar} } @article {43878, title = {Mixed-stack charge transfer crystals of pillar[5]quinone and tetrathiafulvalene exhibiting ferroelectric features}, journal = {Chemistry- A European Journal }, volume = {23}, year = {2017}, month = {SEP}, chapter = {12630-12635}, abstract = {
Ferroelectric materials find extensive applications in the fabrication of compact memory devices and ultra-sensitive multifunctional detectors. Face-to-face alternate stacking of electron donors and acceptors effectuate long-range unidirectional ordering of charge-transfer (CT) dipoles, promising tunable ferroelectricity. Herein we report a new TTF-quinone system-an emerald green CT complex consisting pillar[5]quinone (P5Q) and tetrathiafulvalene (TTF). The CT crystals, as determined by single crystal synchrotron X-ray diffraction, adopt a 1:1 mixed-stack arrangement of donor and acceptor with alternating dimers of TTF and 1,4-dioxane encapsulated P5Q. The TTF-P5Q.dioxane crystal possesses a macroscopic polarization axis giving rise to ferroelectricity at room temperature. The CT complex manifests ferroelectric features such as optical polarization rotation, temperature-dependent phase transition and piezoelectric response in single crystals. Ferroelectric behavior observed in P5Q-based CT complex widens the scope for further work on this structurally intriguing and readily accessible cyclic pentaquinone.
}, keywords = {Acceptor, Charge-transfer complexes, Chemistry, Conductors, DDQ, Donor, ferroelectric, Macrocycles, Organic Metals, Pi-interaction, Pillar[5]quinone, salts, Transfer Complexes, Transport}, issn = {0947-6539}, doi = {10.1002/chem.201702577}, author = {Shivakumar, Kilingaru I. and Swathi, Kadaba and Goudappagouda and Das, Tamal C. and Kumar, Ashwani and Makde, Ravindra D. and Vanka, Kumar and Narayan, Kavassery S. and Babu, Sukumaran Santhosh and Sanjayan, Gangadhar J.} } @inbook {45781, title = {Model nanoparticles in catalysis}, booktitle = {Metal nanoparticles and clusters: advances in synthesis, properties and applications}, year = {2017}, pages = {165-199}, publisher = { Springer}, organization = { Springer}, edition = {1}, chapter = {Model nanoparticles in catalysis}, abstract = {
The importance of surface structure in catalysis is well documented by a large volume of surface science studies carried out on single crystal surfaces. Recent years has seen rapid strides in the synthesis of structured nanomaterials with varying morphologies and architecture. There is a growing interest in utilizing model nanoparticles like morphology-controlled nanostructures and core{\textendash}shell-like bimetallic nanoparticles in catalysis. Apart from showing unprecedented reactivity, they serve as a model surfaces to answer many fundamental question in catalysis and also to arrive at structure vs activity correlations in heterogeneous catalysis. This chapter gives an introduction to such nanomaterials and recent advances in utilizing these materials for catalytic applications.
}, issn = {978-3-319-68052-1}, doi = {10.1007/978-3-319-68053-8}, author = {Vinod, C. P. and Vysakh, A. B. and Sreedhala, S.} } @article {43468, title = {Modeling G-L-L-S reactor: a case of hydrogenation of nitrobenzene}, journal = {Industrial \& Engineering Chemistry Research}, volume = {56}, year = {2017}, month = {FEB}, pages = {1404-1415}, abstract = {Gas-liquid liquid solid (GLLS) reaction systems are often encountered in manufacturing of fine and specialty chemicals. More often than not, such reaction systems involve multiple reactions, and selectivity toward the desired component always poses challenges. An adequate understanding of various parameters affecting GLLS reactor performance is essential to develop strategies for realizing desired selectivity. In this work, a comprehensive reaction engineering model for simulating four phase hydrogenation reactions has been developed. A generalized mixing cell based framework for a reaction system with four interacting phases (gas [G], aqueous [L], organic [L], and solid catalyst [S]) was developed. The model is written in a general way so as to specify one of the liquid phases as a continuous phase, and the other three phases are dispersed into it. In each cell, vapor space is included. The model includes the possibility of evaporation of solvent and internal condensation (in vapor space). The model can also be applied for a dead end (from a perspective of reacting gas) reactor. Model equations were solved using MATLAB. The equations and solution methodology were verified by comparing numerical solutions with available solutions of various limiting cases. A case of four phase hydrogenation of nitrobenzene to para amino phenol and aniline was considered to illustrate the application of the developed model. Key findings from the model were validated by comparing with laboratory scale experimental data. The model was then used to develop insights and guidelines for enhancing selectivity toward desired product. The developed model and presented results will be useful to develop general guidelines for design and optimization of GLLS reactors.}, doi = {10.1021/acs.iecr.6b03744}, author = {Sharma, Deepankar V. and Patwardhan, Ashwin W. and Ranade, Vivek V.} } @article {44160, title = {Modelling natural and synthetic biological networks}, journal = {Current Science}, volume = {113}, year = {2017}, month = {OCT}, pages = {1221-1222}, type = {Article}, author = {Raghunathan, Anu and Athale, Chaitanya A.} } @article {44114, title = {Modular approach towards functionalized highly stable self-complementary quadruple hydrogen bonded systems}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {DEC}, pages = {10087-10094}, type = {Article}, abstract = {Self-complementary quadruple hydrogen bonded systems have shown potential as key building blocks for developing various supramolecular polymers. Opportunities for the introduction of multiple functionalities would further augment, in principle, their application potential. Herein, we report a novel modular approach to simultaneously introduce two closely aligned side chains into AADD-type self-complementary quadruple hydrogen-bonding systems. Dithiane-tethered ureidopyrimidinone has been used as a reactive intermediate to efficiently attach closely aligned side chains by simply reacting with amines to form highly stable molecular duplexes. These duplexes featuring AADD-type arrays of hydrogen bonding codes are highly stable in non-polar solvents (K-dim > 1.9 x 10(7) M-1 in CDCl3) as well as in polar solvents (K-dim > 10(5) in 10\% DMSO-d(6)/CDCl3). Another notable feature of these self-assembling systems is their insensitivity to prototropy-related issues owing to their prototropic degeneracy, which will enhance their application potential in supramolecular chemistry.}, doi = {10.1039/c7ob02358h}, author = {Rayavarapu, Suresh and Kheria, Sanjeev and Shinde, Dinesh R. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {43908, title = {Modular assembly of porous organic cage crystals: isoreticular quasiracemates and ternary co-crystal}, journal = {CrystEngComm}, volume = {19}, year = {2017}, month = {SEP}, chapter = {4933-4941}, abstract = {
Small changes in molecular structure and crystallisation conditions can have a profound effect on the crystal packing of molecules. Increasing the system complexity-for example, by introducing multiple components-greatly increases the number of potential outcomes. Hence, the rational design of porous cocrystals with multiple components is challenging. Here, we report a family of isoreticular quasiracemate crystalline phases for porous organic cages, FT-RCC3-R center dot CCX-S (where X = 1, 2, or 4), that were prepared in a modular and predictable fashion. By using directional intermolecular interactions between cages, we were able to prepare a rare ternary co-crystal, (CC3-S(0.5)CC4-S-0.5)center dot(CC13-S(0.5)CC3-S(0.25)CC4-S-0.25).
}, keywords = {cocrystals, Frameworks, Gas-chromatography, Halogen Bonds, Hydrogen-bonds, Molecular Cage, Nanoparticles, Pores, porosity, Separation}, issn = {1466-8033}, doi = {10.1039/c7ce00783c}, author = {Tothadi, Srinu and Little, Marc A and Hasell, Tom and Briggs, Michael E. and Chong, Samantha Y. and Liu, Ming and Cooper, Andrew I.} } @article {44157, title = {Molecular control of the band edge movement and the recombination process in donor-acceptor hemicyanine-sensitized solar cells}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {OCT}, pages = {21836-21847}, type = {Article}, abstract = {The presence of downward shift in the band edge and the recombination reactions in the hemicyanine-sensitized solar cell reduces the open-circuit potential (V-oc) and the short-circuit current density (J(sc), which in turn decreases the dye cell performance. Choosing either an electrolyte possessing minimum overpotentials or a systematic dye design which can efficiently suppress the diffusion of charged species toward the TiO2 can improve the overall power conversion efficiency (PCE). Here, a series of donor acceptor (D-A) hemicyanine dyes were synthesized utilizing a planar heterotriangulene (HT) or triphenylamine (TPA) donor and alkyl-functionalized indolium carboxylic acid acceptor unit. By introducing strong HT donor instead of TPA, the photophysical, and electrochemical properties of D-A dyes are significantly modulated. The strong donor nature of HT and effective passivation of surface by hydrophobic alkyl chains close to the anchoring group for NC3 dye exhibits an average PCE of 4.34\% with a V-oc of 0.416 V, J(sc) of 20.04 mA cm(-2), and fill factor (ff) of 52.03\% under simulated AM 1.5G illumination (100 mW cm-2) without 3 alpha,7 alpha-adihydroxy-5 beta-cholic acid coadsorbent (CDCA). The intrinsic dipole of the hemicyanine dye and the presence of Li+ ions in iodide/triiodide redox couple without tert-butylpyridine (TBP) additive induces a downward shift in conduction band edge (E-CB) of TiO2. By rational molecular design, the extend of shift in E-CB is controlled and enhanced the V-oc. Electrochemical impedance spectroscopy (EIS) studies revealed the high charge transfer resistance (R-ct) and long lifetime (tau) of injected electrons in HT-based dyes than that of TPA derivatives, which provide insight into the passivation of Li+ and I- ions by current D-A dye design possessing alkyl functionalities to increase both the J(sc) and V-oc.}, doi = {10.1021/acs.jpcc.7b04623}, author = {Karjule, Neeta and Kavungathodi, Munavvar Fairoos Mele and Nithyanandhan, Jayaraj} } @article {43990, title = {Molecular dynamics simulation and experimental study on the growth of methane hydrate in presence of methanol and sodium chloride}, journal = {Energy Procedia}, volume = {105}, year = {2017}, month = {MAY}, pages = {5026-5033}, type = {Article}, abstract = {The plugging of processing and transportation lines by gas hydrate formation is a challenging problem for safe exploitation of oil and gas. The existence of water soluble third component (like methanol and sodium chloride) in the aqueous phase influence the gas hydrate formation thermodynamically also possibly affects the kinetics of hydrate growth. Inorganic salt and organic molecule (alcohols) at high concentration in the aqueous phase have been used as thermodynamic inhibitors to effectively prevent the hydrate formation. This study utilizes molecular dynamics as well as an experimental method to investigate the mechanism of the hydrate formation and the effect of additives. The MD simulation showed that at moderate temperature and pressure, a low concentration (1 wt \%) of methanol and NaCl enhances methane hydrate growth kinetics. Significant numbers of methanol molecules were observed inside the gas hydrate cages whereas Na$^{+}$/Cl$^{-}$ ions leach out during hydrate formation.}, doi = {10.1016/j.egypro.2017.03.1008}, author = {Choudhary, Nilesh and Kushwaha, Omkar Singh and Bhattacharjee, Gaurav and Chakrabarty, Suman and Kumar, Rajnish} } @article {45748, title = {Molecular features of bile salt hydrolases and relevance in human health}, journal = {Biochimica et Biophysica Acta - General Subjects}, volume = {1861}, year = {2017}, month = {JAN}, pages = {2981-2991}, type = {Article}, abstract = {Background: Bile salt hydrolase (BSH) enzyme is responsible for the de-conjugation of bile salts by commensal bacteria, thus playing a vital role in their colonization and survival in the mammalian intestine and determination of their probiotic potential. Further, bile deconjugation also leads to lowering of cholesterol and alterations in energy homeostasis, thus making BSH a clinically important enzyme. Scope of the review: Many recent observations have indicated that BSH may be involved in a multifaceted array of roles, directly or indirectly in the host and microbial physiology. BSH paralogues have now been found to occur in different microbes including free-living and pathogenic bacteria and Archaea. BSHs from various sources also show differential activity and substrate spectrum. Certain bacteria are known to possess multiple genes for BSH enzymes. BSHs have been reported to influence different metabolic phenomena, including bacterial pathogenesis and the maintenance of lipid and glucose homeostasis in the host. These observations necessitate an intense study into the biochemical, structural and regulatory features of BSH enzymes to better understand their role in regulating bacterial and host metabolism. Major conclusions: In this review, the available information on the characteristics of BSH enzymes have been organized in order to understand their interactions with a wide range of substrates and their myriad physiological roles, from bile resistance to signalling mechanisms. General significance: A detailed exploration of BSH architecture and regulation could provide insights into its evolution and a deeper appreciation of the multiple functions of this enzyme relevant to healthcare.}, doi = {10.1016/j.bbagen.2016.09.024}, author = {Chand, D. and Avinash, V. S. and Yadav, Y. and Pundle, A. V. and Suresh, C. G. and Ramasamy, S.} } @article {45664, title = {Molecular level control of the capacitance of two-dimensional covalent organic frameworks: role of hydrogen bonding in energy storage materials}, journal = {Chemistry of Materials}, volume = {29}, year = {2017}, month = {MAR}, pages = {2074-2080}, type = {Article}, abstract = {Two-dimensional redox-active covalent organic frameworks (COFs) are ideal materials for energy storage applications due to their high surface area, extended pi conjugated structure, tunable pore size, and adjustable functionalities. Herein, we report the synthesis and super capacitor application of two redox active COFs [TpPa-(OH)(2) and TpBD-(OH)(2)] along with the role of their redox active functional groups for the enrichment of specific capacitance. Of these COFs, TpPa-(OH)2 exhibited the highest specific capacitance of 416 F g(-1) at 0.5 A g(-1) current density in three electrode configuration while the highest specific capacitance was 214 F g(-1) at 0.2 A g(-1) current density in two electrode configuration. Superior specific capacitance was due to emergence of excellent pseudocapacitance by virtue of precise molecular level control over redox functionalities present in the COF backbone. This COF also demonstrated 66\% capacitance retention after 10 000 cycles along with 43\% accessibility of the redox-active hydroquinone (H2Q) moieties in three electrode configuration while the capacitance retention was 88\% after 10 000 cycles in two electrode configuration. Exceptionally high specific capacitance of TpPa-(OH)(2) was due to the reversible proton-coupled electron transfer (2H(+)/2(e-)) of hydroquinone/benzoquinone (H(2)Q/Q) moieties wherein H(2)Q and Qhad comparable chemical stabilities during redox cycling that originated from H-bonding, which was supported by calculated structures.}, doi = {10.1021/acs.chemmater.6b04178}, author = {Chandra, S. and Chowdhury, D.R and Addicoat, M. and Heine, T. and Paul, A. and Banerjee, R.} } @inbook {43983, title = {Molecular methods for identification of clostridium tetani by targeting neurotoxin}, booktitle = {Methods Molecular Biology}, volume = {1600}, year = {2017}, pages = {37-47}, abstract = {Tetanus is a potentially fatal muscle spasm disease. It is an important public health problem, especially in rural/tribal areas of developing countries. Tetanus toxin, a neurotoxin (tetanospasmin ), is the most important virulence factor that plays a key role in the pathogenicity of tetanus . Confirmation of virulence by confirming the production of tetanospasmin by infecting species forms the most important part in the diagnosis of tetanus . Various molecular methods have been devised for confirmation of diagnosis by targeting different genes. The most common molecular methods are tetanospasmin producing (TetX) gene-targeted methods using TetX-specific primers. Here, we describe various molecular methods targeting TetX gene such as polymerase chain reaction, pulsed-field gel electrophoresis, Southern blotting, loop-mediated isothermal amplification assay, etc. to confirm the virulence of Cl. tetani.}, doi = {10.1007/978-1-4939-6958-6_4}, author = {Dharne, Mahesh S. and Nagoba, Basavraj S. and Gohil, Kushal N.} } @article {42995, title = {Molecular motifs for additives that retard PEO crystallization}, journal = {Polymer Engineering \& Science}, volume = {57}, year = {2017}, month = {AUG}, pages = {857-864}, type = {Article}, abstract = {
We investigate the influence of several bifunctional phenol additives (resorcinol: RES, hydroquinone: HYD, p-hydroxybenzoic acid: PHBA, and p-nitrophenol: PNP) on the crystallization of matrix polymer, polyethyleneoxide. We employ solid state Nuclear Magnetic Resonance spectroscopy (NMR), Differential Scanning Calorimetry (DSC), optical microscopy, and Small Angle X-ray Scattering (SAXS) to investigate crystallization of the additivated PEO and compare with Density Functional Theory (DFT) calculations of additive-PEO interactions. Additive-polymer interactions are a function of the functional groups on the additive. Temperature-dependent spherulitic growth rate measurements from optical microscopy and SAXS lamellar long spacings indicate a distinct trend in the effect of additives on PEO crystallization. Change in PEO crystallization is most pronounced with PNP, followed by PHBA and finally RES and HYD. This trend correlates qualitatively with the binding energies of additive-PEO interactions from DFT studies. Our results suggest that DFT calculations might be a useful screening tool to evaluate the influence of additives on polymer crystallization. POLYM. ENG. SCI., 2016. {\textcopyright} 2016 Society of Plastics Engineers
}, doi = {10.1002/pen.24462}, author = {Shrivastava, Sudhakar Dinesh and Eldho, Kavalakal Mathai and Rajamohanan, P. R. and Ajithkumar, Thalasseril G. and Vanka, Kumar and Kumaraswamy, Guruswamy} } @inbook {45782, title = {Molecular tools for controlling nanoparticle size/morphologies}, booktitle = {Molecular materials: preparation, characterization, and applications}, year = {2017}, pages = {189-212}, publisher = {CRC Press}, organization = {CRC Press}, chapter = {Molecular tools for controlling nanoparticle size/morphologies}, abstract = {The preparation of nanoparticles (especially those of noble metals) predates the coinage of the term nano itself by several centuries. The earliest example of the preparation of nanoparticles has been linked to Roman artisans who created colored glass by probably mixing gold chloride and other salts of noble metals while making glass. Many artistic marvels such as the Lycurgus cup and the glass panels in many European cathedrals were created by this simple procedure. Furthermore, many believe that medicinal preparation such as {\textquotedblleft}aurum potabile{\textquotedblright} and formulations injected for treating rheumatic arthritis were made of colloidal gold. Several people such as the fourteenth-century Bolognese painters, the alchemists Paracelsus, Andreus Cassius, and Johannes Kunckel are all believed to have made the colloidal form of gold, which is the most studied form among the metallic nanoparticles. However, none of these methods of preparations or people were really interested to see in what form the metals existed in composite/solution or whether these existed 190as small ({\textquotedblleft}nano{\textquotedblright}) particles. Actually, it was Michael Faraday who first conjectured that the ruby red color imparted to the glass/ceramics could be due to the reduction of gold salts to metallic state. 1 He in fact prepared a {\textquotedblleft}sol{\textquotedblright} of gold by reacting a gold chloride solution with red phosphorous, thus causing the reduction of gold (III) ions to metallic gold. He was also the first person who inferred that the color imparted to the glass/ceramics could be due to the existence of gold in a {\textquotedblleft}finely divided metallic state.{\textquotedblright} Several systematic studies by Richard Adolf Zsigmondy, Theodor Svedberg, and Gustav Mie 2-5 on gold nanoparticles followed. However, the preparations in all these studies have been mainly curiosity driven and practical applications, if any, have been rather limited. One of the causes for this limitation could be related to the difficult preparative procedures. This major hurdle has been crossed thanks to the pioneering works first by Turkevich et al. 6 and later by Frens 7, 8 that provided the first major breakthrough as far as the simplification of gold colloid preparation was concerned. Procedures developed by these people were also the first ones where an organic molecule, trisodium citrate, was used for nanoparticle synthesis}, isbn = {978-148224595-0}, issn = {978-148224596-7}, doi = {10.1201/9781315118697}, author = {Sahu, P. and Shimpi, J. and Prasad, B.L.V.} } @article {43054, title = {Molybdenum oxide-mediated facile aliphatic nucleophilic fluorination}, journal = {Tetrahedron Letters}, volume = {58}, year = {2017}, month = {NOV}, pages = {59-62}, type = {Article}, doi = {10.1016/j.tetlet.2016.11.099}, author = {Said, Madhukar S. and Khandare, Leena and Shinde, Sandip S.} } @article {43783, title = {MoO3-rGO nanocomposites for electrochemical energy storage}, journal = {Applied Surface Science}, volume = {418}, year = {2017}, month = {OCT}, pages = {2-8}, type = {Article}, abstract = {We have synthesized the one dimensional (1D) MoO3 nanorods and MoO3-rGO nanocomposite by using sonochemical dispersion method at low temperature. The obtained products were characterized by using Raman spectroscopy, FT-IR, SEM, TEM and HR-TEM. We have demonstrated the electrochemical properties of MoO3 nanorods and MoO3-rGO nanocomposites. The specific capacitance for MoO3 nanorods and MoO3-rGO nanocomposite was calculated to be 3.3 F/g and 22.83 F/g at current density of 0.3 A/g respectively. The nanocomposite of MoO3-rGO shows the better electrochemical performance as compared to pristine MoO3 nanorods sample due to improvement in the conductivity. Our result suggests that the MoO3-rGO nanocomposites material has great potential for electrochemical energy storage and related applications. (C) 2016 Elsevier B.V. All rights reserved.}, keywords = {Energy storage, Nanocomposites, Nanorods, Storage (materials), Temperature}, doi = {10.1016/j.apsusc.2016.11.199}, author = {Khandare, Lina and Late, Dattatray J.} } @article {43954, title = {Multicolour and nearly white light emission in YP0.8V0.2O4:Sm3+ nanorods: controlled energy transfer}, journal = {Journal of Alloys and Compounds}, volume = {726}, year = {2017}, month = {DEC}, pages = {1161-1167}, type = {Journal Article}, abstract = {Nanorods of YP0.8V0.2O4:Sm{\textthreesuperior}$^{+}$ have been synthesized under hydrothermal conditions. Substitution of vanadium (V$^{5}$$^{+}$) sites in YVO4 by phosphorus ions (P$^{5}$$^{+}$) has been confirmed by Fourier transform infrared spectroscopy, X-ray diffraction and transmission electron microscopy. Careful selection of Sm{\textthreesuperior}$^{+}$ concentration in YP0.8V0.2O4 enables to achieve the controlled energy transfer from the VO4{\textthreesuperior}$^{-}$ absorption to the excited states of Sm{\textthreesuperior}$^{+}$ ions. The controlled energy transfer has been confirmed from the steady state luminescence and decay lifetime studies of VO4{\textthreesuperior}$^{-}$ emission. With the controlled retention of VO4{\textthreesuperior}$^{-}$ emission, tuning of light emission from the singly (Sm{\textthreesuperior}$^{+}$) doped YP0.8V0.2O4 nanorods is realized. At a particular doping concentration of Sm{\textthreesuperior}$^{+}$ (1.25 at.\%), a nearly white light emission is observed. The quantum yield of this nearly white light emission is found to be \~{}28\%. Tunability of the light and white light emission are supported by CIE chromaticity. The energy transfer efficiency from the VO4{\textthreesuperior}$^{-}$ absorption to the excited states of Sm{\textthreesuperior}$^{+}$ ion in YP0.8V0.2O4 reaches upto \~{}86\% with the doping concentration of 2.25 at.\%. }, keywords = {Energy Transfer, Luminescence, Multicolor, Nanorod}, doi = {10.1016/j.jallcom.2017.08.099}, author = {Singh, N.S.}, editor = {Wangkhem, R.} } @article {43890, title = {Multifunctional inulin tethered silver-graphene quantum dots nanotheranostic module for pancreatic cancer therapy}, journal = {Material Science and Engineering C- Materials for Biological Application}, volume = {78}, year = {2017}, month = {SEP}, chapter = {1203-1211}, abstract = {
Cancer nanotechnology is an emerging area of cancer diagnosis and therapy. Although considerable progress has been made for targeted drug delivery systems to deliver anticancer agents to particular site of interest, new nanomaterials are frequently being developed and explored for better drug delivery efficiency. In the present work, we have explored a novel nanoformulation based on silver-graphene quantum dots (Ag-GQDs) nanocomposite for its successful implementation for pancreatic cancer specific drug delivery in wistar rats. Carboxymethyl inulin (CMI); a modified variant of natural polysaccharide inulin is tethered with the nanocomposite via carbodiimide coupling to enhance the biocompatibility of nanoformulation. Experiments are performed to investigate the cytotoxicity reduction of silver nanoparticles after inulin tethering as well as anticancer efficacy of the system using 5-Fluorouracil (5-FU) as model drug. SEM, TEM, FT-IR, UV-vis, photoluminescence and anti proliferative assays (MTT) are performed for characterisation of the nanocomposite. Hyaluronic acid (HA) is conjugated as targeting moiety for CD-44 (cancer stem cell marker) to fabricate a complete targeted drug delivery vehicle specific for pancreatic cancer. In the present work two prime objectives were achieved; mitigation the toxicity of silver nanoparticles by inulin coating and it{\textquoteright}s in vivo application for pancreatic cancer. (C) 2017 Elsevier B.V. All rights reserved.
}, keywords = {acid, Dextran, Drug-delivery, graphene quantum dots, Inulin, Nanocomposite, Nanocomposites, Nanoparticles, Pancreatic Cancer, Silver nanoparticle, Strategies, Systems, Targeted Drug Delivery}, issn = {0928-4931}, doi = {10.1016/j.msec.2017.03.176}, author = {Joshi, Preeti Nigam and Agawane, Sachin and Agawane, Sachin and Agawane, Sachin and Sarkar, Dhiman and Sarkar, Dhiman} } @article {43941, title = {Multilocus sequence typing of Ochrobactrum spp. isolated from gastric niche}, journal = {Journal of Infection and Public Health }, volume = {10}, year = {2017}, month = {MAR-APR}, pages = {201-210}, type = {Journal Article}, abstract = {The human stomach is colonized by diverse bacterial species. The presence of non-Helicobacter pylori bacteria in urease-positive biopsies of individuals has been reported. Bacteria belonging to the Ochrobactrum genus have been documented in the human gastric niche. The co-occurrence of Ochrobactrum spp. with H. pylori was previously reported in an antral biopsy of a non-ulcer dyspeptic (NUD) subject from Northern India. There is no information on the genetic diversity of Ochrobactrum spp. isolated from the gastric niche in the stomach. We aimed to study the species distribution and diversity of Ochrobactrum spp. with and without H. pylori in urease-positive biopsies across three different geographical regions in India. Sixty-two Ochrobactrum isolates recovered from patients with an upper gastric disorder (n=218) were subjected to molecular identification and multilocus sequence typing. H. pylori DNA was found in the majority of biopsies, which had a variable degree of Ochrobactrum spp present. Interestingly, some of the urease-positive biopsies only had Ochrobactrum without any H. pylori DNA. Based on phylogenetic analysis, the Ochrobactrum isolates were distributed into the O. intermedium, O. anthropi and O. oryzae groups. This indicates there are multiple species in the gastric niche irrespective of the presence or absence of H. pylori. Antibiotyping based on colistin and polymyxin B could differentiate between O. intermedium and O. anthropi without revealing the resistance-driven diversity. Considering the prevalence of multiple Ochrobactrum spp. in the human gastric niche, it is important to evaluate the commensal and/or pathogenic nature of non-H. pylori bacteria with respect to their geographical distribution, lifestyle and nutrition needs.}, keywords = {Helicobater Pyroli, MLST, Non-Ulcer Dyspepsia, Ochrobactrum}, doi = {10.1016/j.jiph.2016.04.013}, author = {Kulkarni, Girish}, editor = {Gohil, Kushal} } @article {43976, title = {Multi-mode hydrogen storage in nanocontainers}, journal = {International Journal of Hydrogen Energy}, volume = {42}, year = {2017}, month = {AUG}, pages = {24256-24262}, type = {Article}, abstract = {Hydrogen can be stored in containers or in materials (in molecular or atomic forms). The atomic form can further exist as multiple phases. Molecular hydrogen can be adsorbed on the surface or can be present inside the material. By invoking multiple modes of hydrogen storage, we establish a paradigm shift in the philosophy of hydrogen storage. Using a novel strategy of storage of molecular hydrogen in metal (Pd) nanocontainers, we observe that 18\% hydrogen is in molecular form. Interestingly, this is achieved at 25 {\textdegree}C and 1 atm pressure; which is in contrast to storage in MOFs and carbonaceous materials like nanotubes. Enhancement in storage capacity as compared to Pd nanocrystals of the same mass is observed (36\% increase at 1 atm \& 25 {\textdegree}C), along with fast kinetics (0.5 wt\% hydrogen absorption in 5 s). A new mechanism for hydrogen storage involving the dual catalytic role of Pd is established.}, doi = {10.1016/j.ijhydene.2017.07.233}, author = {Shervani, Suboohi and Mukherjee, Puspal and Gupta, Anshul and Mishra, Gargi and Illath, Kavya and Ajithkumar, Thallaseril G. and Sivakumar, Sri and Sen, Pratik and Balani, Kantesh and Subramaniam, Anandh} } @article {43171, title = {Multiple functionalities of Ni nanoparticles embedded in carboxymethyl guar gum polymer: catalytic activity and superparamagnetism}, journal = {Applied Surface Science}, year = {2017}, month = {JAN}, abstract = {Composites comprising of metallic nanoparticles in polymer matrices have allured significant importance due to multifunctionalities. Here a simple protocol has been described to embed Ni nanoparticles in carboxymethyl guar gum (CMGG) polymer. The composite formation helps in the stabilization of Ni nanoparticles which are otherwise prone towards aerial oxidation. Further the nanoparticles retain their superparamagnetic nature and catalytic capacity. Ni-Polymer composite catalyses the reduction of 4-Nitrophenol to 4-Aminophenol very efficiently in presence of NaBH4, attaining a complete conversion under some experimental conditions. Ni-Polymer composite is well characterized using UV{\textendash}vis spectroscopy, FTIR, XPS, powder XRD, TGA, SEM and TEM. A detailed magnetic measurement using superconducting quantum interference device-vibrating sample magnetometer (SQUID-VSM) reveals superparamagnetic behaviour of the composite.}, author = {Sardar, Debasmita and Sengupta, Manideepa and Bordoloi, Ankur and Ahmed, Md. A. and Neogi, S. K. and Bandyopadhyay, Sanjoy and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {43872, title = {Multipronged quantitative proteomics reveals serum proteome alterations in breast cancer intrinsic subtypes}, journal = {Journal of Proteomics}, volume = {163}, year = {2017}, month = {JUN}, pages = {1-13}, type = {Article}, abstract = {Being molecularly heterogeneous, breast cancer tends to be a complicated oncological disease with high incidence rates throughout the world. The primary aim of this study was to identify the set of serum proteins with discriminatory capabilities towards the four major subtypes of breast cancer. We employed multipronged quantitative proteomic approaches like 2D-DIGE, iTRAQ and SWATH-MS and identified 307 differentially regulated proteins. Luminal A subtype consisted of 24, Luminal B subtype 38, HER2 Enriched subtype 17 and Triple negative breast cancer subtype 10 differentially regulated subtype specific proteins. These specific proteins were further subjected to bioinformatic tools which revealed the involvement in platelet degranulation, fibrinolysis, lipid metabolism, immune response, complement activation, blood coagulation, glycolysis and cancer signaling pathways in the subtypes of the breast cancer. The significant discrimination efficiency of the models generated through multivariate statistical analysis was decent to distinguish each of the four subtypes from controls. Further, some of the statistically significant differentially regulated proteins were verified and validated by immunoblotting and mass spectrometry based selected reaction monitoring (SRM) approach. Our Multipronged proteomics approaches revealed panel of serum proteins specifically altered for individual subtypes of breast cancer. The mass spectrometry data are available via ProteomeXchange with identifier PXD006441. Biological significance: Worldwide, breast cancer continues to be one of the leading causes of cancer related deaths in women and it encompasses four major molecular subtypes. As breast cancer treatment majorly depends on identification of specific subtype, it is important to diagnosis the disease at subtype level. Our results using multipronged quantitative proteomics identified 307 differentially regulated proteins in which 24 were specific for Luminal A, 38 for Luminal B, 17 for HER2 enriched and 10 proteins were specific for TN subtype. Bioinformatic analysis of these proteins revealed certain biological processes and pathways altered at subtype level and validation experiments of some of these proteins using immunoblotting and SRM assays are consistent with discovery data. This is the first comprehensive proteomic study on serum proteome alterations at subtype level which will not only help to distinguish subtype of breast cancer but also contribute to a better understanding of the molecular characteristic of breast cancer at individual subtype level. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jprot.2017.05.007}, author = {Gajbhiye, Akshada and Dabhi, Raju and Taunk, Khushman and Jagadeeshaprasad, Mashanipalya G. and RoyChoudhury, Sourav and Mane, Anupama and Bayatigeri, Santhakumari and Chaudhury, Koel and Santra, Manas K. and Rapole, Srikanth} } @article {45676, title = {Multiscale modelling: hybrid quantum mechanics/molecular mechanics as an example and some recent developments}, journal = {Current Science}, volume = {112 }, year = {2017}, month = {APR}, pages = {1455-1462}, type = {Article}, abstract = {Most of the physical phenomena are multiscale in nature and therefore, to depict it properly one requires multiscale modelling techniques, i.e. physical models that are accurate over multiple length and time scales. The seminal work by Warshel and Levitt marks the beginning of hybrid quantum mechanics/molecular mechanics (QM/MM) method as a successful strategy towards the understanding of chemistry and physics in condensed phases and especially in biological systems. Recently, these methods have been extended to problems such as light-matter interaction, where the QM sub-system is excited from the ground to the excited states. The MM environment provides a field that changes the potential energy landscape of both the ground and excited states in a distinctly different way. In this review, we discuss the general strategy of multiscale modelling with emphasis on hybrid QM/MM and the recent developments in excited state QM/MM methods.}, doi = {10.18520/cs/v112/i07/1455-1462}, author = {Ghosh, Debashree} } @article {43352, title = {N - heterocyclic - carbene - catalyzed umpolung of imines}, journal = {Angewandte Chemie International Edition}, volume = {56}, year = {2017}, month = {MAR}, pages = {2730 - 2734}, type = {Article}, abstract = {
N-Heterocyclic carbene (NHC) catalysis has been widely used for the umpolung of aldehydes, and recently for the umpolung of Michael acceptors. Described herein is the umpolung of aldimines catalyzed by NHCs, and the reaction likely proceeds via aza-Breslow intermediates. The NHC-catalyzed intramolecular cyclization of aldimines bearing a Michael acceptor resulted in the formation of biologically important 2-(hetero)aryl indole 3-acetic-acid derivatives in moderate to good yields. The carbene generated from the bicyclic triazolium salt was found to be efficient for this transformation.
}, doi = {10.1002/anie.201611268}, author = {Patra, Atanu and Mukherjee, Subrata and Das, Tamal Kanti and Jain, Shailja and Gonnade, Rajesh Ghanshyam and Biju, Akkattu T.} } @article {43824, title = {Nanocrystalline Fe-Fe2O3 particledeposited N-doped graphene as an activity-modulated Pt-free electrocatalyst for oxygen reduction reaction}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {SEP}, pages = {13341-13342}, type = {Article}, issn = { 2040-3364}, doi = {10.1039/c7nr90179h}, author = {Dhavale, Vishal M. and Singh, Santosh K. and Nadeema, Ayasha and Gaikwad, Sachin S. and Kurungot, Sreekumar} } @article {44030, title = {Nano-heteroarchitectures of two-dimensional MoS 2 @ one-dimensional brookite TiO 2 nanorods: prominent electron emitters for displays}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {JUN}, pages = {2925-2934}, type = {Article}, abstract = {
We report comparative field electron emission (FE) studies on a large-area array of two-dimensional MoS2-coated @ one-dimensional (1D) brookite (β) TiO2 nanorods synthesized on Si substrate utilizing hot-filament metal vapor deposition technique and pulsed laser deposition method, independently. The 10 nm wide and 760 nm long 1D β-TiO2 nanorods were coated with MoS2 layers of thickness \~{}4 ({\textpm}2), 20 ({\textpm}3), and 40 ({\textpm}3) nm. The turn-on field (Eon) of 2.5 V/μm required to a draw current density of 10 μA/cm{\texttwosuperior} observed for MoS2-coated 1D β-TiO2 nanorods emitters is significantly lower than that of doped/undoped 1D TiO2 nanostructures, pristine MoS2 sheets, MoS2@SnO2, and TiO2@MoS2 heterostructure-based field emitters. The orthodoxy test confirms the viability of the field emission measurements, specifically field enhancement factor (βFE) of the MoS2@TiO2/Si emitters. The enhanced FE behavior of the MoS2@TiO2/Si emitter can be attributed to the modulation of the electronic properties due to heterostructure and interface effects, in addition to the high aspect ratio of the vertically aligned TiO2 nanorods. Furthermore, these MoS2@TiO2/Si emitters exhibit better emission stability. The results obtained herein suggest that the heteroarchitecture of MoS2@β-TiO2 nanorods holds the potential for their applications in FE-based nanoelectronic devices such as displays and electron sources. Moreover, the strategy employed here to enhance the FE behavior via rational design of heteroarchitecture structure can be further extended to improve other functionalities of various nanomaterials.
}, doi = {10.1021/acsomega.7b00345}, author = {Devan, Rupesh S. and Thakare, Vishal P. and Antad, Vivek V. and Chikate, Parameshwar R. and Khare, Ruchita T. and More, Mahendra and Dhayal, Rajendra S. and Patil, Shankar I. and Ma, Yuan-Ron and Schmidt-Mende, Lukas} } @article {43718, title = {Nanoparticle assembly: a perspective and some unanswered questions}, journal = {Current Science}, volume = {112}, year = {2017}, month = {APR}, pages = {1635-1641}, type = {Article}, abstract = {In early 2016, the Royal Society of Chemistry arranged a meeting on the topic {\textquoteright}Nanoparticle Assemblies: from Fundamentals to Applications{\textquoteright} which was hosted at IIT-Bombay, Mumbai. The meeting brought several leading nanoscience and nanotechnology researchers to India and is only the second Faraday Discussions meeting to have been held in the country. The papers presented at the meeting and the resulting active discussions have been summarized in a Faraday Discussion issue(1). The broad range of topics discussed at the meeting led to an understanding on where we stand in the field of nanoparticle assembly, and also enunciated some of the outstanding fundamental and practical issues that remain to be resolved before these ideas can be applied to practical situations. Driven by these ideas, here we focus on four topics/questions: (i) Can we achieve function-driven design of nanoparticle assemblies? (ii) What is the minimal information needed to build a desired assembly? (iii) How complex a structure can one build? How can one make it responsive? What are the relative roles of equilibrium versus dynamics in the assembly process, and are we at a point where we can now pursue active assembly as a viable mode for creating complex assemblies? (iv) What are the applications that are being targeted and what are the barriers to implementation? In this perspective, we do not present an exhaustive survey of the vast literature in this area, but indicate overarching themes/questions that require immediate attention, largely based on the discussions at the Mumbai meeting.}, author = {Kumar, Sanat K. and Kumaraswamy, Guruswamy and Prasad, Bhagavatula L. V. and Bandyopadhyaya, Rajdip and Granick, Steve and Gang, Oleg and Manoharan, Vinothan N. and Frenkel, Daan and Kotov, Nicholas A.} } @article {43807, title = {Nanotubular hard carbon derived from renewable natural seed gel for high performance sodium-ion battery anode}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {AUG}, pages = {6909-6915}, type = {Article}, abstract = {
Electrical energy storage devices such as batteries and supercapacitors are perhaps the most researched topic today in view of its critical implications for the successful implementations of various renewable energy harvesting initiatives. Amongst the various battery systems being currently examined, the Li-battery continues to be a main player, but the Na-ion battery has been attracting significant attention lately due to the concerns about the limited reserves and high cost of Li. Hard carbon is recognized to be a good anode material for Na-battery. In this work we present a novel approach to synthesize such hard carbon from a natural gel derived from the commonly used Basil seeds (Osimum Basilicum) which swell 30 times their weight by absorbing water. The hard carbon obtained by pyrolysis of the freeze-dried mucilage possesses sheet-like and tubular morphology with decorated surface defects attributed to the presence of oxygen functionalities. This hard carbon shows a good reversible capacity of 195 mAh g(-1) at 0.1A g(-1) with an impressive approximate to 91\% retention of initial capacity after 300 cycles and sustains high current densities with not much change in capacity value.
}, doi = {10.1002/slct.201701123}, author = {Sharma, Neha and Gawli, Yogesh and Ahmad, Absar and Muhammed, Musthafa and Ogale, Satishchandra} } @article {43817, title = {Nature of selenium hydrogen bonding: gas phase spectroscopy and quantum chemistry calculations}, journal = {Physical chemistry Chemical physics}, volume = {19}, year = {2017}, month = {SEP}, pages = {24179-24187}, type = {Article}, abstract = {

Subsequent to the recent re-definition of hydrogen bonding by the IUPAC committee, there has been a growing search for finding the presence of this ever interesting non-covalent interaction between a hydrogen atom in an X-H group and any other atom in the periodic table. In recent gas phase experiments, it has been observed that hydrogen bonding interactions involving S and Se are of similar strength to those with an O atom. However, there is no clear explanation for the unusual strength of this interaction in the case of hydrogen bond acceptors which are not conventional electronegative atoms. In this work, we have explored the nature of Se hydrogen bonding by studying indole...dimethyl selenide (indmse) and phenol...dimethyl selenide (phdmse) complexes using gas phase IR spectroscopy and quantum chemistry calculations. We have found through various energy decomposition analysis (EDA) methods and natural bond orbital (NBO) calculations that, along with electrostatics and polarization, charge transfer interactions are important to understand Se/S hydrogen bonding and there is a delicate balance between the various interactions that plays the crucial role rather than a single component of the interaction energy. An in-depth understanding of this type of non-covalent interaction has immense significance in biology as amino acids containing S and Se are widely present in proteins and hence hydrogen bonding interactions involving S and Se atoms contribute to the folding of proteins.

\
}, keywords = {Center-Dot-O, Clusters, Co-Ordination, Complexes, intermolecular interactions, Proteins, Replacement, spectra, Strength, Sulfur}, issn = {1463-9076}, doi = {10.1039/c7cp05265k}, author = {Mishra, Kamal K. and Singh, Santosh K. and Ghosh, Paulami and Ghosh, Debashree and Das, Aloke} } @article {45712, title = {N-doped porous reduced graphene oxide as an efficient electrode material for high performance flexible solid-state supercapacitor}, journal = {Applied Materials Today}, volume = {8}, year = {2017}, month = {SEP}, pages = {141-149}, type = {Article}, abstract = {Supercapacitors (SCs) are energy storage devices with an immense potential to resolve energy related issues. Being a low cost, durable and multifunctional material, graphene and its derivatives are the most promising candidates for SCs. Here, we report the synthesis of N-doped porous reduced graphene (N-pGr) and its use for the fabrication of all-solid-state supercapacitor (ASSC) device. The N-pGr exhibited a specific capacitance of 230 F g(-1) at 1 A g(-1) current density and good capacitance retention up to 88\% even after 10,000 galvanostatic charge-discharge cycles recorded at 5 A g(-1) fabricated in a solid-state supercapacitor. The synergistic effect of the porosity and N-doping is believed to be the underlying principle for the improved charge storage ability when compared to other reports. Significantly, the porous nature of N-pGr contributes in increasing the electroactive surface area for the formation of electrical double layer as well as facilitating the faster movement of electrolyte ions inside the electrode network. N-doping is believed to change the electrical properties of the electrode material and also to participate in the pseudo-capacitance which helped to boost the overall capacitance of the fabricated device. The good capacitance retention provides the room for making robust flexible solid-state supercapacitor (FSSC) with the N-pGr material.}, doi = {10.1016/j.apmt.2016.10.002}, author = {Singh, S. K. and Dhavale, V. M. and Boukherroub, R. and Kurungot, S. and Szunerits, S.} } @article {43499, title = {New and efficient enantioselective synthesis of both enantiomers of the calcium channel blocker bepridil}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {JAN}, pages = {824-829}, abstract = {A concise and efficient enantioselective synthesis of both enantiomers of bepridil, a calcium channel blocker, is reported. Jacobsen{\textquoteright}s hydrolytic kinetic resolution method was utilized to resolve racemic 2-(isobutoxymethyl) oxirane. The incorporation of the succinimide moiety by the Mitsunobu reaction, which was investigated in detail, occurred without any loss of enantioselectivity. Using this strategy, both enantiomers of the target molecule were obtained in good yield and with high enantiopurity (ee > 99\%).}, doi = {10.1039/c6nj02928k}, author = {Mujahid, Mohammad and Subramanian, Jambu and Nalla, Viswanadh and Sasikumar, Murugesan and Kunte, Sunita Sharad and Muthukrishnan, Murugan} } @article {42937, title = {New bithiazolyl hydrazones: novel synthesis, characterization and antitubercular evaluation}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {27}, year = {2017}, month = {JAN}, pages = {288{\textendash}294}, abstract = {
New bithiazolyl hydrazones (6a{\textendash}l) have been first time synthesized by carrying novel one pot cyclocondensation of 5-acyl thiazoles (1a{\textendash}b), thiosemicarbazide (2) and substituted phenacyl chlorides (4a{\textendash}f) in freshly prepared ionic liquid, diisopropyl ethyl ammonium acetate (DIPEAc) at room temperature. The newly synthesized compounds have been evaluated for their antitubercular activity and the compounds 3b, 6a, 6b, 6d, 6e, 6f, 6g, and 6l have displayed noticeable antitubercular activity compared to Rifampicin with tolerable cytotoxicity. All these compounds were also screened for their antibacterial activity and found that, compounds 6j and 6k have exhibited a very good antibacterial activity. Molecular docking study has shown better harmony with the evaluation trend shown by these compounds under in vitro antitubercular screening.
}, doi = {10.1016/j.bmcl.2016.11.056}, author = {Bhalerao, Mahendra B. and Dhumal, Sambhaji T. and Deshmukh, Amarsinh R. and Nawale, Laxman U. and Khedkar, Vijay M. and Sarkar, Dhiman and Mane, Ramrao A.} } @article {44016, title = {New insight into sugarcane industry waste utilization (press mud) for cleaner biobutanol production by using c. acetobutylicum nrrl b-527}, journal = {Applied Biochemistry and Biotechnology}, year = {2017}, month = {MAY}, chapter = {1-18}, abstract = {
In the present study, press mud, a sugar industry waste, was explored for biobutanol production to strengthen agricultural economy. The fermentative production of biobutanol was investigated via series of steps, viz. characterization, drying, acid hydrolysis, detoxification, and fermentation. Press mud contains an adequate amount of cellulose (22.3\%) and hemicellulose (21.67\%) on dry basis, and hence, it can be utilized for further acetone-butanol-ethanol (ABE) production. Drying experiments were conducted in the temperature range of 60{\textendash}120 {\textdegree}C to circumvent microbial spoilage and enhance storability of press mud. Furthermore, acidic pretreatment variables, viz. sulfuric acid concentration, solid to liquid ratio, and time, were optimized using response surface methodology. The corresponding values were found to be 1.5\% (v/v), 1:5 g/mL, and 15 min, respectively. In addition, detoxification studies were also conducted using activated charcoal, which removed almost 93{\textendash}97\% phenolics and around 98\% furans, which are toxic to microorganisms during fermentation. Finally, the batch fermentation of detoxified press mud slurry (the sample dried at 100 {\textdegree}C and pretreated) using Clostridium acetobutylicum NRRL B-527 resulted in a higher butanol production of 4.43 g/L with a total ABE of 6.69 g/L. {\textcopyright} 2017 Springer Science+Business Media New York Author keywords
}, keywords = {Acetone, Acetone butanol ethanols, Acidic pre treatments, Agriculture, Biobutanol, cellulose, Clostridium acetobutylicum, Detoxification, Drying, Drying Fermentation, FermentationSpoilage, Fermentative production, Pre-treatment, Press mud, Press mud Pretreatment, Response surface methodology, Sugar industry, Sulfur determination}, issn = {0273-2289}, doi = {10.1007/s12010-017-2479-3}, author = {Nimbalkar, Pranhita R. and Khedkar, Manisha A. and Gaikwad, S. G. and Chavan, Pramod V. and Bankar, Sandip B.} } @article {43397, title = {New insights into the use of multi-mode phenomenological constitutive equations to model extrusion film casting process}, journal = {Journal of Plastic Film \& Sheeting}, volume = {33}, year = {2017}, month = {JAN}, pages = {35-71}, abstract = {This article is concerned with the effect of the individual viscoelastic relaxation modes of a polymer melt on its behavior in polymer melt extrusion film casting process. We compare the predicted versus experimentally obtained film necking or neck-in profile as a function of draw ratio. The predicted necking profile was obtained using well-established one-dimensional isothermal flow kinematics and consisted of using two different phenomenological constitutive equations, upper convected Maxwell and Phan-Thien-Tanner, with a discrete spectrum of relaxation times. The numerical simulations, containing the two different phenomenological constitutive equations, provided an insight into the effect of the slow and the fast relaxing modes on the stresses, strains, and strain/extensional rates that develop in the molten polymer film as it is stretched from the die exit to the chill-roll. The slow relaxing modes follow trends that are directly proportional to strain (similar to Hookean solids), whereas the fast relaxing modes follow trends that are directly proportional to the stretch rate (in accordance with Newton{\textquoteright}s law of viscosity). Comparing the numerical predictions with the experiments showed that predictions using the upper convected Maxwell constitutive equation best described the long-chain branched polymers (like low-density polyethylene, which shows extensional strain hardening) in the extrusion film casting process. On the other hand, predictions using the Phan-Thien-Tanner constitutive equation best described the linear polymers (like linear low-density polyethylene, which does not show noticeable extensional strain hardening) in the extrusion film casting process.}, doi = {10.1177/8756087915627843}, author = {Thete, Sumeet S. and Doshi, Pankaj and Pol, Harshawardhan V.} } @article {43940, title = {New pyrene cored small organic molecule with a flexible alkyl spacer: a potential solution processable blue emitter with bright photoluminescence}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {OCT}, pages = {11383-11390}, type = {Article}, abstract = {A new pyrene cored small organic molecule viz. 1,3,6,8-tetrakis(4-((5-(9H-carbazol-9-yl) pentyl)oxy) phenyl)pyrene (PY-II) was designed and synthesized. The carbazole moiety with an alkyl spacer was introduced at 1, 3, 6 and 8 positions of the pyrene core to improve the charge transport properties and solution processability. PY-II exhibited excellent solubility in common organic solvents and high thermal stability up to 345 degrees C. The photoluminescence quantum yield (PLQY) of PY-II in solution was found to be 0.9 with bright blue emission near 450 nm which is just appropriate for the human eye. The solution processed non-doped OLED device fabricated using PY-II as an emissive layer afforded a pure blue emission with CIE coordinates of 0.16 and 0.16, a power efficiency of 0.17 lm W-1, a maximum current efficiency of 0.41 cd A(-1) and a maximum brightness of 202 cd m(-2).}, doi = {10.1039/c7nj01921a}, author = {Valsange, Nitin G. and Wong, F. L. and Shinde, Durgaprasad and Lee, C. S. and Roy, V. A. L. and Manzhos, Sergei and Feron, K. and Chang, Samuel and Katoh, Ryuzi and Sonar, Prashant and Wadgaonkar, Prakash P.} } @article {45769, title = {N-Heterocyclic carbene-catalyzed aldol-lactonization of ketoacids via dynamic kinetic resolution}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {JUN}, pages = {3995-3999}, type = {Article}, abstract = {
N-Heteroryclic carbene (NHC)-catalyzed enantioselective aldol lactonization of acyclic ketoacids, proceeding via dynamic kinetic resolution, is presented. The carbene generated from the chiral anninoinclanol-derived triazolium salt in the presence of LiCl was the key for the success of this transformation. The reaction allowed the diastereoselective and enantioselective synthesis of cyclopentane-fused beta-lactones having three contiguous stereocenters. The reaction products are shown to undergo substrate-controlled beta-lactone opening in the presence of amines to afford succinimide derivatives with four contiguous stereocenters.
}, keywords = {aldol lactonization, beta-lactones, DKR strategies, ketoacids, N-heterocyclic carbenes, organocatalysis}, issn = {2155-5435}, doi = {10.1021/acscatal.7b00681}, author = {Mondal, Santigopal and Mukherjee, Subrata and Das, Tamal Kanti and Gonnade, Rajesh and Biju, Akkattu T.} } @article {45692, title = {Nickel-catalyzed C(sp(2))-H/C(sp(3))-H oxidative coupling of indoles with toluene derivatives}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {JUN}, pages = {4202-4208}, type = {Article}, abstract = {Nickel-catalyzed oxidative C(sp(2))-H/C(sp(3))-H coupling of indoles with toluene derivatives is successfully achieved in the presence of 2-iodobutane as the oxidant. This method allows the selective C-2 benzylation of indoles with toluene derivatives over the alkylation with 2-iodobutane and permits the coupling of diversified indoles via the monochelation assistance. The reaction proceeded through a single-electron-transfer (SET) process, wherein both the C-H nickelation of indole and the C-H activation of toluene derivatives have a significant effect on the entire reaction rate. The synthetic utility of this nickel-catalyzed protocol is demonstrated by the facile removal of the directing group and by the convenient synthesis of the melatonin receptor antagonist Luzindole derivatives.}, doi = {10.1021/acscatal.7b01044}, author = {Soni, V. and Khake, S. M. and Punji, B.} } @article {44403, title = {Nickel-catalyzed direct synthesis of dialkoxymethane ethers}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {AUG}, pages = {1153-1159}, abstract = {A simple and efficient method for the preparation of dialkoxymethane ethers (oxymethylene ethers) from alcohols and paraformaldehyde in the presence of commercially available nickel(II) salt is described. The reaction proceeds readily under neutral, solvent-free conditions using paraformaldehyde as a C-1 source. The present strategy has a broad substrate scope including aliphatic (both primary and secondary) and aromatic alcohols and provides a benign method for the preparation of symmetrical dialkoxymethanes in good yields (up to 89\%).}, doi = {10.1007/s12039-017-1339-6}, author = {Subaramanian, Murugan and Bera, Abhijit and Prasad, Bhagavatula L. V. and Balaraman, Ekambaram} } @article {43883, title = {Nickel-catalyzed N-vinylation of heteroaromatic amines via C-H bond activation}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {SEP}, pages = { 6896-6900}, type = {Article}, abstract = {
Here, we report a ligand- and reductant-free nickel-catalyzed N-vinylation of heteroaromatic amines using biorenewable p-cymene as a solvent. This unprecedented cross-coupling strategy has high functional group tolerance (halides, alkoxy, cyano, chiral motif, etc.) and proceeded via C-H bond activation.
}, keywords = {Alkylation, Amination Reactions, Anilines, Aryl Chlorides, halides, Monoarylation, O Bonds, Precatalyst, Pyrimidines, Removeble Directing Group}, issn = {1477-0520}, doi = {10.1039/c7ob01791j}, author = {Landge, Vinod G. and Rana, Jagannath and Subaramanian, Murugan and Balaraman, Ekambaram} } @article {43947, title = {NIR light-triggered shrinkable thermoresponsive PNVCL nanoshells for cancer theranostics}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {SEP}, pages = {44026-44034}, type = {Article}, abstract = {For the localized treatment of a tumor in a more controlled fashion, several stimuli-responsive nanocarriers and minimally or non-invasive techniques like photothermal therapy (PTT) have emerged. However, PTT is limited to only treatment of small and superficial tumors due to the inability of NIR light to penetrate more and kill the core cells of large and deep-seated tumors. As a preliminary step towards addressing the problem, NIR light-triggered thermoresponsive theranostic nanoshell consisting of chitosan-grafted poly(N-vinyl caprolactam) as core and biocompatible gold as shell (Au PNVCL NS) are synthesized and well characterized by various techniques. PNVCL is polymerized from N-vinyl caprolactam using free radical polymerization method, and chitosan is grafted to raise its lower critical solution temperature (LCST) to hyperthermic temperature (\~{}43 {\textdegree}C). Surface plasmon resonant gold shell over PNVCL NPs core is assembled by ascorbic acid-driven in situ reduction. Core to shell diameter ratio is controlled to tune the peak in NIR region (750 nm). Therapeutic potential of Au PNVCL NS is determined over breast cancer cells MCF-7, while diagnostic potential is compared with the commercial contrast agent-Omnipaque.}, doi = {10.1039/C7RA07485A}, author = {Chauhan, Deepak S. and Singaravelu, Indulekha and Gottipalli, Rupesh and Reddy, B. Pradeep K. and Chikate, Tanmayee and Gupta, Ramkrishn and Jahagirdar, Dushyant N. and Prasad, Rajendra and De, Abhijit and Srivastava, Rohit} } @article {43844, title = {Nitrogen-doped graphene anchored with mixed growth patterns of CuPt alloy nanoparticles as a highly efficient and durable electrocatalyst for the oxygen reduction reaction in an alkaline medium}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {JUL}, pages = {9009-9017}, type = {Article}, abstract = {
A highly active and durable CuPt alloy catalyst with trigonal bipyramidal and truncated cube-type mixed morphologies, anchored on the nitrogen-doped graphene (NGr) surface (CuPt-TBTC/NGr), was prepared by a simple and fast method. The obtained CuPt alloy showed improved oxygen reduction reaction (ORR) activity, with a 30 mV positive shift in the half-wave potential value, as compared to the state-of-the-art Pt/C catalyst in a 0.1 M KOH solution. The CuPt alloy with the trigonal bipyramidal morphology possesses porous type inter-connected sides, which help to achieve improved mass transport of oxygen during the ORR. The exposure of the (111) plane of the CuPt alloy further improved the catalytic activity towards the dioxygen reduction in alkaline media. The ORR activity of the NGr-supported CuPt alloy was found to be dependent on the reaction time, and improved activity was obtained on the material derived at a reaction time of 90 min (CuPt-TBTC/NGr-90). The material synthesized at a lower or higher reaction time than 90 min resulted in a partially formed trigonal bipyramidal morphology with more truncated cubes or agglomerated trigonal bipyramidal and truncated cubes with closed type structures, respectively. Along with the high intrinsic ORR activity, CuPt-TBTC/NGr-90 displayed excellent electrochemical stability. Even after repeated 1000 potential cycling in a window ranging from 0.10 to 1.0 V (vs. RHE), the system clearly outperformed the state-of-the-art Pt/C catalyst with 15 and 60 mV positive shifts in the onset and half-wave potentials, respectively. CuPt-TBTC/NGr-90 also exhibited 2.1 times higher mass activity and 2.2 times higher specific activity, compared to Pt/C at 0.90 V (vs. RHE). Finally, a zinc-air battery fabricated with the alloy catalyst as the air electrode displayed a peak power density of 300 mW cm(-2), which is much higher than the peak power density of 253 mW cm(-2) obtained for the state-of-the-art Pt/C catalyst as the air electrode.
}, doi = {10.1039/c7nr00697g}, author = {Illathvalappil, Rajith and Dhavale, Vishal M. and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article {44172, title = {Nitrogen-doped graphene with a three-dimensional architecture assisted by carbon nitride tetrapods as an efficient metal-free electrocatalyst for hydrogen evolution}, journal = {Chemelectrochem}, volume = {4}, year = {2017}, month = {OCT}, pages = {2643-2652}, type = {Article}, abstract = {Current polymer membrane-based electrolyzers use Pt as a cathode catalyst for efficient reduction of water. The high cost of Pt-based catalysts forces researchers to develop alternative electrocatalysts. Here, a simple strategy has been proposed to synthesize a metal-free electrocatalyst for the hydrogen evolution reaction (HER) by high-temperature annealing of graphene oxide-coated melamine foam. The prepared catalyst possesses both structural and functional advantages with its three-dimensional (3D) interconnected arms of carbon nitride (CNx) backbone wrapped with nitrogen-doped graphene (N-RGO) sheets (CNx@N-RGO). CNx@N-RGO faces only a 193 mV overpotential to achieve a current density of 10mAcm(-2), which is far superior to the previously reported Pt-free systems. Along with the high exchange current density 34.7 x 10(-6)A cm(-2) and low Tafel slope of 54 mV dec(-1), CNx@N-RGO follows a Volmer-Heyrovsky mechanism for the HER. DFT calculations show that the synergy between CNx and N-RGO facilitates good electrical coupling between the two moieties and provides optimal binding to H+ ions on the catalyst that, in turn, results in efficient reduction of hydrogen ions.}, keywords = {carbon nitride, Density functional theory, electrocatalyst, hydrogen evolution reaction, nitrogen doped graphene}, issn = {2196-0216}, doi = {10.1002/celc.201700479}, author = {Gangadharan, Pranav K. and Unni, SreeKuttan M. and Kumar, Nandha and Ghosh, Prasenjit and Kurungot, Sreekumar} } @article {43870, title = {NiZn double hydroxide nanosheet-anchored nitrogen-doped graphene enriched with the gamma-NiOOH phase as an activity modulated water oxidation electrocatalyst}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {SEP}, pages = {12590-12600}, type = {Journal Article}, chapter = {12590-12600}, abstract = {
Herein, we report a facile solvothermal process to synthesize an active electrocatalyst for the oxygen evolution reaction (OER) in an alkaline medium by anchoring nanosheets of a NiZn double hydroxide over nitrogen doped reduced graphene oxide after enriching the system with the γ-NiOOH phase. This catalyst possesses a thin, porous and open layered structure, which makes the system more efficient and accessible for a better electrochemical water oxidation reaction. Moreover, we experimentally demonstrated that incorporation of Zn via a single-step solvothermal method provides an easy approach to obtain plenty of exposed γ-NiOOH phases to make the system more viable for OER with a small overpotential of 290 mV at 10 mA cm-2 and a Tafel slope of 44 mV per decade. In addition to this, the oxophilic nature of Zn in the (Zn)Ni-LDH/N-rGO catalyst helps to improve the long-term stability of the whole system. The obtained results open up possibilities for the design of future robust OER electrocatalysts by the use of very cheap and abundant materials like Ni and Zn in place of expensive Ir and Ru in the present commercial electrocatalysts.
}, keywords = {catalysis, Efficient Electrocatalyst, kinetics, Metal, Nickel-Hydroxide, oxide, Oxygen Evolution Reaction, performance, XPS Spectra, zinc}, issn = {2040-3364}, doi = {10.1039/c7nr02225e}, author = {Nadeema, Ayasha and Dhavale, Vishal M. and Kurungot, Sreekumar} } @article {43544, title = {Nonlinear Fowler-Nordheim behavior of a single SnO2 nanowire}, journal = {Journal of Vacuum Science \& Technology B}, volume = {35}, year = {2017}, month = {MAR}, pages = {Article Number: 02C105}, abstract = {The present work deals with the field emission study on multiple SnO2 nanowires synthesized by a simple thermal evaporation method. The randomly oriented multiple nanowires grown by the vapor-liquid-solid mechanism exhibit low turn on field (0.8V/mu m defined for the current density of 1 mu A/cm(2)) and linear Fowler-Nordheim nature (FN). However, for the understanding of the nature of the FN plot, field emission behavior of a single SnO2 nanowire is investigated. The FN plot is observed to be nonlinear in nature. A simple model explaining the field emission mechanism from the semiconducting single SnO2 nanowire is proposed. (C) 2017 American Vacuum Society.}, doi = {10.1116/1.4973949}, author = {Joshi, Padmashree D. and Joag, Dilip S. and Late, Dattatray J. and Mulla, Imtiaz S.} } @article {43800, title = {Norepinephrine alkaloids as antiplasmodial agents: Synthesis of syncarpamide and insight into the structure-activity relationships of its analogues as antiplasmodial agents}, journal = {European Journal of Medicinal Chemistry}, volume = {138}, year = {2017}, month = {SEP}, pages = {1089-1105}, type = {Article}, abstract = {
Syncarpamide 1, a norepinephrine alkaloid isolated from the leaves of Zanthoxylum syncarpum (Rutaceae) exhibited promising antiplasmodial activities against Plasmodium falciparum with reported IC50 values of 2.04 mu M (D6 clone), 3.06 mu M (W2 clone) and observed by us 3.90 mu M (3D7 clone) and 2.56 mu M (K1 clone). In continuation of our work on naturally occurring antimalarial compounds, synthesis of syncarpamide 1 and its enantiomer, (R)-2 using Sharpless asymmetric dihydroxylation as a key step has been accomplished. In order to study structure-activity-relationship (SAR) in detail, a library of 55 compounds (3-57), which are analogues/homologues of syncarpamide 1 were synthesized by varying the substituents on the aromatic ring, by changing the stereocentre at the C-7 and/or by varying the acid groups in the ester and/or amide side chain based on the natural product lead molecule and further assayed in vitro against 3D7 and K1 strains of P. falciparum to evaluate their antiplasmodial activities. In order to study the effect of position of functional groups on antiplasmodial activity profile, a regioisomer (S)-58 of syncarpamide 1 was synthesized however, it turned out to be inactive against both the strains. Two compounds, (S)-41 and its enantiomer, (R)-42 having 3,4,5-trimethoxy cinnamoyl groups as side chains showed better antiplasmodial activity with IC50 values of 3.16, 2.28 mu M (3D7) and 1.78, 2.07 mu M (I(1), respectively than the natural product, syncarpamide 1. Three compounds (S)-13, (S)-17, (S)-21 exhibited antiplasmodial activities with IC50 values of 6.39, 6.82, 6.41 mu M against 3D7 strain, 4.27, 7.26, 2.71 mu M against K1 strain and with CC50 values of 147.72, 153.0, \>200 mu M respectively. The in vitro antiplasmodial activity data of synthesized library suggests that the electron density and possibility of resonance in both the ester and amide side chains increases the antiplasmodial activity as compared to the parent natural product 1: The natural product syncarpamide 1 and four analogues/homologues out of the synthesized library of 55, (S)-41, (R)-42, (S)-55 and (S)-57 were assayed in vivo assay against chioroquine-resistant P. yoelii (N-67) strain of Plasmodium. However, none of the five molecules, 1, (S)-41, (R)-42, (S)-55 and (S)-57 exhibited any promising in vivo antimalarial activity against P. yoelii (N-67) strain. Compounds 4, 6, 7 and 11 showed high cytotoxicities with CC50 values of 5.87, 5.08, 6.44 and 14.04 mu M, respectively. Compound 6 was found to be the most cytotoxic as compared to the standard drug, podophyllotoxin whereas compounds 4 and 7 showed comparable cytotoxicities to podophyllotoxin. (C) 2017 Elsevier Masson SAS. All rights reserved.
}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2017.07.052}, author = {Aratikatla, Eswar K. and Valkute, Tushar R. and Puri, Sunil K. and Srivastava, Kumkum and Bhattacharya, Asish K.} } @article {43963, title = {Novel interaction study of Th(IV) and Zr(IV) with 4-sulfonatocalix[6]arene: experimental and theoretical investigation}, journal = {Polyhedron}, volume = {137}, year = {2017}, month = {NOV}, pages = {137}, type = {Journal Article}, abstract = {
Calixarenes based ligands are well known in the extraction of heavy metal ions. The modifications at lower as well as upper rim increase the new possibilities of metal extraction in terms of quantum and selectivity of metal. In comparison to calix[4]arene, complexing nature of calix[6]arene is less studied due to its large size and flexible nature. In the present study, 4-sulfonatocalix[6]arene (SCX6) is synthesized and an attempt has been made to understand its complexation behavior with Th(IV) and Zr(IV) metal ions. The effect of different solvents has been examined along with calculation of binding constants for better complexation possibilities. Though in general, its complexation proves to be at 1:1 stoichiometry with respect to ligand and metal, the specific metals show its characteristic modes of interaction with the ligand. This has been understood through IR spectroscopic analysis and density functional theory based first principle studies. 1H NMR spectra of SCX6 and its complexes with Th(IV) and Zr(IV) metal ions was established. IR, UV{\textendash}Vis, fluorescence spectroscopic studies provided a systematic understanding about the binding behavior of these two metals including interference possibilities from other metals.
}, keywords = {4-Sulfonatocalix[6]arene, DFT, metal complexation, Th(IV) Zr(IV)}, doi = { 10.1016/j.poly.2017.08.026}, author = {Rathod, N.V.}, editor = {Joshi, K.} } @article {45678, title = {Novel silaproline (Sip)-incorporated close structural mimics of potent antidepressant peptide drug rapastinel (GLYX-13)}, journal = {Tetrahedron Letters}, volume = {58}, year = {2017}, month = {APR}, pages = {1568-1571}, type = {Article}, abstract = {Rapastinel (GLYX-13) is a C-amidated tetrapeptide drug under clinical development for adjunctive treatment of major depressive disorder (MDD). Rapastinel features two consecutive proline residues centered at the peptide sequence (Thr-Pro-Pro-Thr-NH2), which are detrimental to its biological activity. In this communication, we report the synthesis of very close structural analogues of rapastinel comprising silaproline (Sip) as proline surrogate. By virtue of its enhanced lipophilicity and metabolic stability, Sip introduction in the native rapastinel sequence is expected to improve its pharmacokinetic profiles.}, doi = {10.1016/j.tetlet.2017.03.015}, author = {Madica, Krishnaprasad and Nadimpally, Krishna Chaitanya and Sanjayan, Gangadhar J.} } @article {43525, title = {Nucleotide dependent switching in Rho GTPase: conformational heterogeneity and competing molecular interactions}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {APR}, pages = {Article Number: 45829}, abstract = {Ras superfamily of GTPases regulate myriad cellular processes through a conserved nucleotide (GTP/ GDP) dependent switching mechanism. Unlike Ras family of GTPases, for the Rho GTPases, there is no clear evidence for the existence of "sub-states" such as state 1 \& state 2 in the GTP bound form. To explore the nucleotide dependent conformational space of the Switch I loop and also to look for existence of state 1 like conformations in Rho GTPases, atomistic molecular dynamics and metadynamics simulations on RhoA were performed. These studies demonstrate that both the nucleotide-free state and the GDP bound "OFF" state have very similar conformations, whereas the GTP bound "ON" state has unique conformations with signatures of two intermediate states. The conformational free energy landscape for these systems suggests the presence of multiple intermediate states. Interestingly, the energetic penalty of exposing the non-polar residues in the GTP bound form is counter balanced by the favourable hydrogen bonded interactions between the gamma- phosphate group of GTP with the highly conserved Tyr34 and Thr37 residues. These competing molecular interactions lead to a tuneable energy landscape of the Switch I conformation, which can undergo significant changes based on the local environment including changes upon binding to effectors.}, doi = {10.1038/srep45829}, author = {Kumawat, Amit and Chakrabarty, Suman and Kulkarni, Kiran} } @article {44042, title = {Nutty carbon: morphology replicating hard carbon from walnut shell for na ion battery anode}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {JUL}, chapter = {3601{\textendash}3609}, abstract = {

Efficient Na ion intercalation/deintercalation in the semigraphitic lattice of a hard carbon derived from the walnut shell is demonstrated. High-temperature (1000 {\textdegree}C) pyrolysis of walnut shells under an inert atmosphere yields a hard carbon with a low surface area (59 m2\ g{\textendash}1) and a large interplanar\ c\ axis separation of 0.39{\textendash}0.36 nm as compared to 0.32 nm for graphite, suitable for Na ion intercalation/deintercalation. A stable reversible capacity of 257 mAh g{\textendash}1\ is observed at a current density of 50 mA g{\textendash}1\ for such nutshell-derived carbon (NDC) with an impressive rate performance. No loss of electrochemical performance is observed for high current cycling (100 mA g{\textendash}1\ {\textrightarrow} 2 A g{\textendash}1\ {\textrightarrow} 100 mA g{\textendash}1). Additionally, the NDC shows remarkably stable electrochemical performance up to 300 charge{\textendash}discharge cycles at 100 mA g{\textendash}1\ with a minimal drop in capacity.
}, keywords = {Batteries, Biological and Medicinal chemistry, Biological materials, diffraction, Electric Properties, Electrode-electrolyte interface, spectra, Surface structure, Thermal properties}, doi = {10.1021/acsomega.7b00633}, author = {Wahid, M. and Gawli, Y. and Puthusseri, D. and Kumar, A. and Shelke, M. V. and Ogale, S.} } @article {45693, title = {Odd-even alternation in tautomeric porous organic cages with eceptional chemical stability}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {FEB}, pages = { 2123-2126}, type = {Article}, abstract = {Amine-linked (C-NH) porous organic cages (POCs) are preferred over the imine-linked (C= N) POCs owing to their enhanced chemical stability. In general, aminelinked cages, obtained by the reduction of corresponding imines, are not shape-persistent in the crystalline form. Moreover, they require multistep synthesis. Herein, a one-pot synthesis of four new amine-linked organic cages by the reaction of 1,3,5-triformylphloroglucinol (Tp) with different analogues of alkanediamine is reported. The POCs resulting from the odd diamine (having an odd number of -CH2 groups) is conformationally eclipsed, while the POCs constructed from even diamines adopt a gauche conformation. This odd-even alternation in the conformation of POCs has been supported by computational calculations. The synthetic strategy hinges on the concept of Schiff base condensation reaction followed by keto-enol tautomerization. This mechanism is the key for the exceptional chemical stability of cages and facilitates their resistance towards acids and bases.}, doi = {10.1002/anie.201611260}, author = {Bera, S. and Basu, A. and Tothadi, S. and Garai, B. and Banerjee, S. and Vanka, K. and Banerjee, R.} } @conference {45797, title = {OFET based H2S gas sensing among reducing and mining gases using green synthesis SnO2}, booktitle = {2016 3rd International Conference on Emerging Electronics, ICEE 2016}, year = {2017}, month = {JAN}, publisher = {IEEE}, organization = {IEEE}, address = {Mumbai, India}, abstract = {In this paper we present detection of H2S gas using an organic field effect transistor (OFET) based sensor. A low-cost green synthesis process for SnO2 nanoparticles and bi-layer approach for device fabrication have been adopted to come up with the sensor. With the help of multiparameteric analysis, selectivity towards H2S gas was proved among other reducing and mining gases. }, doi = {10.1109/ICEmElec.2016.8074608}, author = {Surya, S. G. and Roy, S. and Ganne, B. S. P. and Pasam, D. and Sastry, A. B. and Bhagavatula L. V. Prasad} } @article {43522, title = {On-axis pulsed laser deposition of hybrid perovskite films for solar cell and broadband photo-sensor applications}, journal = {Journal of Applied Physics}, volume = {121}, year = {2017}, month = {APR}, pages = {Article Number: 133107}, abstract = {High quality hybrid perovskite films are grown by the pulsed laser deposition (PLD) process through target stoichiometry and gas ambient control in the commonly used on-axis geometry which is compatible with PLD of other materials such as metal oxides. The use of an off-stoichiometric target and a momentum softening gas mixture of argon and hydrogen (90\%:10\%) is shown to yield dense films in the on-axis geometry with excellent stoichiometry and optical quality. The band gap can be easily tuned from 1.6 to 2.3 eV with either mixed halide composite target or successive depositions of inter-diffusing MAPbBr(3) and MAPbI(3) layers. A photosensor based on PLD grown MAPbI(3) is shown to render impressive performance over the broad range of wavelengths from 375 to 800 nm at a voltage of 5V bias. A planar heterojunction solar cell based on the dry-processed on-axis PLD grown film exhibits a champion conversion efficiency of 10.9\%. A heterostructure comprising in situ pulsed laser deposited Cu2O (p-type) followed by the hybrid perovskite film shows a rectifying characteristic and photoresponse.}, doi = {10.1063/1.4979865}, author = {Bansode, Umesh and Ogale, Satishchandra B.} } @article {43813, title = {One-step synthesis of a MoS2-CuS composite with high electrochemical activity as an effective counter electrode for CdS/CdSe sensitized solar cells}, journal = {Chemelectrochem}, volume = {4}, year = {2017}, month = {AUG}, pages = {1984-1989}, type = {Article}, abstract = {Inorganic nanostructured composite materials involving metal sulfides are increasingly important in electrochemical applications like solar cells. In this research, we have developed a one-step in situ solvothermal method to synthesize a MoS2-CuS composite. MoS2 sheets increase electron-transfer ability, assisting the improvement in catalytic activity of the MoS2-CuS counter electrode. The charge-transfer resistance derived from impedance spectroscopy for the MoS2-CuS composite counter electrode at the electrode/electrolyte interface is very low, as compared to MoS2, mostly owing to the increased number of active catalytic sites for the reduction of polysulfide electrolyte. The Tafel polarization plot shows excellent electrocatalytic activity of the MoS2-CuS composite towards polysulfide electrolyte. Finally, the CdS/CdSe sensitized solar cell achieves a power conversion efficiency of about 5\% upon optimization of the MoS2-CuS composition.}, doi = {10.1002/celc.201700231}, author = {Kamaja, Chaitanya Krishna and Devarapalli, Rami Reddy and Shelke, Manjusha V.} } @article {43688, title = {Optical antenna effect on SiNWs/CuS photodiodes}, journal = {Physica Status Solidi A-Applications and Materials Science}, volume = {214}, year = {2017}, month = {MAY}, pages = {Article Number: 1600635}, type = {Article}, abstract = {One-dimensional architectures between silicon nanowires (SiNWs) and CuS were fabricated by radio-frequency (RF) magnetron sputtering and analyzed for solid-state photodetector application. Inspired by the subwavelength optical concentration by the surface plasmons on metal nanostructures at the nanoscale, we investigated the effect of gold nanorods (AuNRs) on the optical absorption and photodetection properties of the heterojunction photodiode. AuNRs acting as an optical trapping antenna enhances the light absorption, consequently boosting the photocurrent from the device. A maximum photoresponsivity of 0.36 mA W-1 was achieved under 665 nm excitation wavelength independent of the bias, a value similar to 13 times higher than for the heterojunction photodiode without AuNRs. Such plasmonic sensitization can be useful for improving the sensitivity of visible as well as IR photodetectors. (C) 2017 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim}, doi = {10.1002/pssa.201600635}, author = {Yenchalwar, Sandeep G. and Rondiya, Sachin R. and Shinde, Pravin N. and Jadkar, Sandesh R. and Shelke, M. V.} } @article {43383, title = {Optimal combinations of control strategies and cost-effective analysis for visceral leishmaniasis disease transmission}, journal = {PLoS ONE}, volume = {12}, year = {2017}, month = {MAR}, abstract = {Visceral leishmaniasis (VL) is a deadly neglected tropical disease that poses a serious problem in various countries all over the world. Implementation of various intervention strategies fail in controlling the spread of this disease due to issues of parasite drug resistance and resistance of sandfly vectors to insecticide sprays. Due to this, policy makers need to develop novel strategies or resort to a combination of multiple intervention strategies to control the spread of the disease. To address this issue, we propose an extensive SIR-type model for anthroponotic visceral leishmaniasis transmission with seasonal fluctuations mod-eled in the form of periodic sandfly biting rate. Fitting the model for real data reported in South Sudan, we estimate the model parameters and compare the model predictions with known VL cases. Using optimal control theory, we study the effects of popular control strategies namely, drug-based treatment of symptomatic and PKDL-infected individuals, insecticide treated bednets and spray of insecticides on the dynamics of infected human and vector populations. We propose that the strategies remain ineffective in curbing the disease individually, as opposed to the use of optimal combinations of the mentioned strategies. Testing the model for different optimal combinations while considering periodic seasonal fluctuations, we find that the optimal combination of treatment of individuals and insecticide sprays perform well in controlling the disease for the time period of intervention introduced. Performing a cost-effective analysis we identify that the same strategy also proves to be effi-cacious and cost-effective. Finally, we suggest that our model would be helpful for policy makers to predict the best intervention strategies for specific time periods and their appropriate implementation for elimination of visceral leishmaniasis.}, doi = {10.1371/journal.pone.0172465}, author = {Biswas, Santanu and Subramanian, Abhishek and Elmojtaba, Ibrahim M. and Chattopadhyay, Joydev and Sarkar, Ram Rup} } @article {43938, title = {Optimization for the production of mycelial biomass from Benjaminiella poitrasii to isolate highly deacetylated chitosan}, journal = {Journal of Polymer Materials}, volume = {34}, year = {2017}, month = {MAR}, pages = {145-156}, type = {Article}, abstract = {
Benjaminiella poitrasii, a dimorphic zygomycetous fungus contains more chitosan in the mycelial cell wall than the cell wall of its yeast form. The optimized medium containing yeast extract, peptone, MgSO4, KH2PO4, trace metals (Fe2+, Mn2+ Zn2+ and Co2+ ) solution and 1\% starch produced 10-12 g/L(dry wt.) of mycelial biomass in 48 h in a 2L fermenter. Using 1N NaOH treatment from 1 g of dried biomass 51.00 {\textpm} 0.52 mg of chitosan of 42.82 KDa molecular weight and 94.24 \% degree of deacetylation was extracted. With Metarhizium anisopliae chitin deacetylase (CDA), chitosan yield was 59.00 {\textpm} 0.84 mg while treatment with CDA of B. poitrasii it was 78.05 {\textpm} 0.58 mg/g of dry wt. of biomass. The chitosan dissolved in 2\% acetic acid showed higher antifungal activity against Candida albicans (MIC90 0.025 mg/mL) and Candida glabrata (MIC90 0.2 mg/mL) than chitosan extracted from marine source (MIC90 \>1.6 mg/mL) suggesting use of fungal chitosan in healthcare.
}, author = {Mane, S. R. and Pathan, Ejaj K. and Kale, D. and Ghormade, Vandana and Gadre, Ramchandra V. and Rajamohanan, Pattuparambil Ramanpillai and Badiger, Manohar V. and Deshpande, Mukund V.} } @article {45749, title = {Optimizing culture conditions for establishment of hairy root culture of semecarpus anacardium L.}, journal = {3 Biotech}, volume = {7}, year = {2017}, month = {APR }, pages = {21}, type = {Article}, abstract = {
Semecarpus anacardium L. is a tree species which produces secondary metabolites of medicinal importance. Roots of the plant have been traditionally used in folk medicines. Different strains of Agrobacterium rhizogenes (A4, ATCC15834 and LBA 9402) were used for induction of hairy roots in in vitro grown tissues of the plant. Hairy root initiation was observed after 25-30 days of infection. Optimum transformation frequency of 61\% was achieved on leaf explants with ATCC15834 strain. Infection time of 30 min resulted in greater transformation frequency compared to 10 and 20 min, respectively. The hairy roots cultured in growth regulator-free semi-solid woody plant medium differentiated into callus. Whole shoots infected with ATCC 15834 were found to produce more transformants upon co-cultivation for 4 (65\%) and 5 (67\%) days. Induction of hairy roots in stem explants infected with ATCC 15834 was lower (52\%) compared to leaves (62\%) after 4 days of co-cultivation. In A4 and LBA9402 strains transformation efficiency was 49 +/- 2.8\% and 36 +/- 5.7\% in shoots after 4 days of co-cultivation. Transformation frequency was higher in ATCC15834 strain, irrespective of explants. The hairy roots of S. anacardium elongated slowly upon transfer to half-strength liquid medium. After 3-4 passages in liquid medium slender hairy roots started differentiating which were separated from the original explants. Visible growth of the roots was observed in hormone-free liquid medium after 2-3 months of culturing. Polymerase chain reaction with gene-specific primers from rol A, B and C genes confirms the positive transformation events.
}, keywords = {Hairy root culture, In vitro culture, rol genes, Semecarpus anacardium, Transformation}, issn = {2190-572X}, doi = {10.1007/s13205-017-0608-x}, author = {Panda, Bhuban Mohan and Mehta, Urmil J. and Hazra, Sulekha} } @article {43902, title = {Oral feeding with polyunsaturated fatty acids fosters hematopoiesis and thrombopoiesis in healthy and bone marrow-transplanted mice}, journal = {Journal of Nutritional Biochemistry}, volume = {47}, year = {2017}, month = {sep}, chapter = {94-105}, abstract = {
Hematopoietic stem cells play the vital role of maintaining appropriate levels of cells in blood. Therefore, regulation of their fate is essential for their effective therapeutic use. Here we report the role of polyunsaturated fatty acids (PUFAs) in regulating hematopoiesis which has not been explored well so far. Mice were fed daily for 10 days with n-6/n-3 PUFAs, viz. linoleic acid (LA), arachidonic acid (AA), alpha-linolenic acid and docosahexanoic acid (DHA) in four separate test groups with phosphate-buffered saline fed mice as control set. The bone marrow cells of PUFA-fed mice showed a significantly higher hematopoiesis as assessed using side population, Lin-Sca-1(+)ckit+, colony-forming unit (CFU), long-term culture, CFU-spleen assay and engraftment potential as compared to the control set. Thrombopoiesis was also stimulated in PUFA-fed mice. A combination of DHA and AA was found to be more effective than when either was fed individually. Higher incorporation of PUFAs as well as products of their metabolism was observed in the bone marrow cells of PUFA-fed mice. A stimulation of the Wnt, CXCR4 and Notch1 pathways was observed in PUFA-fed mice. The clinical relevance of this study was evident when bone marrow-transplanted recipient mice, which were fed with PUFAs, showed higher engraftment of donor cells, suggesting that the bone marrow microenvironment may also be stimulated by feeding with PUFAs. These data indicate that oral administration of PUFAs in mice stimulates hematopoiesis and thrombopoiesis and could serve as a valuable supplemental therapy in situations of hematopoietic failure. (C) 2017 Elsevier Inc. All rights reserved.
}, keywords = {Bone Marrow Transplantation (Bmt), Cord Blood, Down-regulation, Ex-vivo Expansion, Hematopoiesis, Hematopoietic Stem Cells (Hscs), Lipid rafts, Myocardial-infarction, Polyunsaturated Fatty Acids, Progenitor Cells, Prostaglandin-e2, Self-renewal, Spleen Colonies, Stem-cell Proliferation, Thrombopoiesis}, doi = {10.1016/j.jnutbio.2017.05.002}, author = {Limbkar, Kedar and Dhenge, Ankita and Jadhav, Dipesh D. and Thulasiram, Hirekodathakallu V. and Kale, Vaijayanti and Limaye, Lalita} } @article {43798, title = {Organocatalytic enantioselective vinylogous michael-aidoi cascade for the synthesis of spirocyclic compounds}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {AUG}, pages = {4367-4370}, type = {Article}, abstract = {Enantioselective synthesis of pyrazolone-fused spirocyclohexenols by the secondary amine-catalyzed cascade reaction of alpha,beta-unsaturated aldehydes with alpha-arylidene pyrazolinones is reported. This formal [3 + 3] organocascade reaction proceeds through a vinylogous Michael-aldol sequence to furnish the spiroheterocycles with three stereocenters including an all-carbon quaternary center in good yields and selectivities. The catalytic generation of alpha,beta-unsaturated iminium ions from enals and tandem dienolate/enolate formation from pyrazolinones are the key for the success of this spiroannulation reaction.}, doi = {10.1021/acs.orglett.7b02085}, author = {Mondal, Santigopal and Mukherjee, Subrata and Yetra, Santhivardhana Reddy and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {44028, title = {Organocatalytic Enantioselective Vinylogous Michael-Aldol Cascade for the Synthesis of Spirocyclic Compounds}, journal = {Electrochimica Acta}, volume = {246}, year = {2017}, month = {AUG}, pages = { 1023-1028}, type = {Journal Article}, abstract = {Nanoscopic spheres of poly(3,4-ethylenedioxythiophene) from its poly(styrene sulfonate) stabilised dispersion was converted to nanofibers by acid treatment. The nanofibers showed a conductivity of 1800 S/cm. The specific capacitance of nanofiber based supercapcitors increased by 10 times compared to nanospeheres. The specific capacitance and power density were found to be 288 F/g and 9491 W/kg. }, doi = { 10.1016/j.electacta.2017.06.156}, author = {Jain, B.}, editor = {Krishnamoorthy, K.} } @article {43554, title = {Organocatalyzed efficient one-pot synthesis, biological evaluation, and molecular docking studies of 4,4-(Arylmethylene)bis-(3-methyl-1-phenyl-1H-pyrazol-5-ols)}, journal = {Journal of Heterocyclic Chemistry}, volume = {54}, year = {2017}, month = {MAR}, pages = {1109-1120}, abstract = {The synthesis of 4,4-(arylmethylene)bis-(3-methyl-1-phenyl-1H-pyrazol-5-ol) derivatives catalyzed by ?-proline is a simple, versatile, and efficient method. In vitro antioxidant, anti-inflammatory, and antimicrobial activities of compounds 4a, 4b, 4c, 4d, 4e, 4f, 4g, 4h, 4i, 4j were studied. Furthermore, to rationalize the observed anti-inflammatory activity data, molecular docking study has been performed against COX-2 enzyme which revealed a good binding affinity for these molecules and could provide an insight into the various bonded and non-bonded interactions guiding their binding affinity.}, doi = {10.1002/jhet.2681}, author = {Mahajan, Pravin S. and Nikam, Mukesh D. and Khedkar, Vijay and Jha, Prakash and Badadhe, Pravin V. and Gill, Charansingh H.} } @article {44150, title = {Organo-clay hybrid hydrophobic spherical styrene divinylbenzene crosslink beads for high-performance carbon dioxide capture}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {OCT}, pages = {12326-12335}, type = {Article}, abstract = {Herein, we report carbon dioxide sorption properties for a series of cloisite-containing crosslink hybrid materials. These materials were prepared by copolymerizing styrene divinylbenzene in the presence of various cloisites through suspension polymerization in one pot to obtain uniform spherical beads. The homopolymer formed during the polymerization was separated from the hybrid. The synthetic strategy is user-friendly and cost-effective, can be easily scaled up for production, and provides materials with good mechanical strength. The microporous polymeric spheres containing organo-clay (cloisite) showed a high surface area of similar to 80-370 m(2) g(-1) with a microsphere size of similar to 4.4 nm. These polymeric spherical beads were hydrophobic and thermally stable up to 300 degrees C. They showed high carbon dioxide uptake (up to similar to 20.7 wt\% at 273 K/1.0 bar) due to lone pair electrons of heteroatom, which might sharpen the interaction between the CO2 molecules and polymeric matrices through local dipole/quadruple interaction. Moreover, they showed good capacity to store CO2 due to the presence of quaternary ammonium groups in the clay and a large amount of narrow microspheres (B4.4 nm). The equilibrium CO2 capacities of the prepared spherical beads were due to the interaction between quaternary ammonium and the negatively charged oxygen atoms of CO2, and these spherical beads showed potential applications in gas adsorption and separation.}, doi = {10.1039/c7nj02141k}, author = {Nande, Smita S. and Garnaik, Baijayantimala} } @article {44155, title = {Organo-photoredox catalyzed oxidative dehydrogenation of N-heterocycles}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {OCT}, pages = {14167-14172}, type = {Article}, abstract = {We report here for the first time the catalytic oxidative dehydrogenation of N-heterocycles by a visible-light organo-photoredox catalyst with low catalyst loading (0.1-1mol\%). The reaction proceeds efficiently under base- and additive-free conditions with ambient air at room temperature. The utility of this benign approach is demonstrated by the synthesis of various pharmaceutically relevant N-heteroarenes such as quinoline, quinoxaline, quinazoline, acridine, and indole.}, doi = {10.1002/chem.201703642}, author = {Sahoo, Manoj K. and Jaiswal, Garima and Rana, Jagannath and Balaraman, Ekambaram} } @article {44159, title = {Orthogonally functionalized donor/acceptor homo- and heterodimeric dyes for dye-sensitized solar cells: an approach to introduce panchromaticity and control the charge recombination}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {OCT}, pages = {34875-34890}, type = {Article}, abstract = {Organic dyes possessing conjugated pi-framework forms closely packed monolayers on photoanode in dye-sensitized solar cell (DSSC), because of the limitation to control the orientation and the extend of intermolecular pi-pi interaction, self-aggregation of dyes leads to reduced cell performance. In this report, a series of homodimeric (D-1-D-1, and D-2,-D-2) and heterodimeric (D-1-D-2 and D-2-D-4) donor/acceptor (D/A) dyes containing spiroBiProDOT pi-spacer were designed and synthesized by utilizing Pd-catalyzed direct arylation reaction and correlates the device performance with monomeric dyes (D-1 and D-2). Both the thiophenes (pi-spacer) of spiroBiProDOT were functionalized with same or different donor groups which led to homodimeric and heterodimeric chromophores in a single sensitizer. The homodimeric spirodye D-1-D-1 showed higher power conversion efficiency (PCE), of 7.6\% with a V-oc and J(sc) of 0.672 V and 16.16 mA/cm(2), respectively. On the other hand, the monomeric D-1 exhibited a PCE of 3.2\% (V-oc of 0.64 V and J(sc) of 7.2 mA/cm(2)); which is lower by 2.4 fold compared to dimeric analogue. The spiro-unit 20 provides flexibility between the incorporated chromophores to orient on TiO2 due to four sp(3)-centers, which arrest the molecular motions after chemisorption. This study shows a new molecular approach to incorporate two chromophores in the dimeric dye possessing complementary absorption characteristics toward panchromatic absorption. The attenuated charge recombination at TiO2/Dye/redox couple interface in case of D-1-D-1, owing to better passivation of TiO2 surface, was elucidated through impedance analysis. The FT-IR spectrum of D,-D, adsorbed on TiO2 film indicated both the carboxylic units were involved in chemisorption which makes strong coupling between dye and TiO2.}, doi = {10.1021/acsami.7b09010}, author = {Sil, Manik Chandra and Sudhakar, Vediappan and Kavungathodi, Munavvar Fairoos Mele and Punitharasu, Vellimalai and Nithyanandhan, Jayaraj} } @article {44116, title = {Overcoming the lack of oral availability of cyclic hexapeptides: design of a selective and orally available ligand for the integrin alpha v beta 3}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {DEC}, pages = {16405-16409}, type = {Article}, abstract = {Ahighly systematic approach for the development of both orally bioavailable and bioactive cyclic N-methylated hexapeptides as high affinity ligands for the integrin alpha v beta 3 is based on two concepts: a) screening of systematically designed libraries with spatial diversity and b) masking of the peptide charge with a lipophilic protecting group. The key steps of the method are 1) initial design of a combinatorial library of Nmethylated analogues of the stem peptide cyclo(d-Ala-Ala(5)); 2) selection of cyclic peptides with the highest intestinal permeability; 3) design of sublibraries with the bioactive RGD sequence in all possible positions; 4) selection of the best ligands for RGD-recognizing integrin subtypes; 5) finetuning of the affinity and selectivity by additional Ala to Xaa substitutions; 6) protection of the charged functional groups according to the prodrug concept to regain intestinal and oral permeability; 7) proof of biological effects in mice after oral administration.}, doi = {10.1002/anie.201709709}, author = {Weinmueller, Michael and Rechenmacher, Florian and Marelli, Udaya Kiran and Reichart, Florian and Kapp, Tobias G. and Raeder, Andreas F. B. and Di Leva, Francesco Saverio and Marinelli, Luciana and Novellino, Ettore and Munoz-Felix, Jose M. and Hodivala-Dilke, Kairbaan and Schumacher, Adi and Fanous, Joseph and Gilon, Chaim and Hoffman, Amnon and Kessler, Horst} } @article {44013, title = {Oviposition and feeding behaviour of Xanthopimpla pedator (Fabricius) (Hymenoptera: Ichneumonidae) on tropical tasar silkworm, Antheraea mylitta (Drury) (Lepidoptera: Saturniidae)}, journal = {Journal of Asia-Pacific Entomology}, volume = {20}, year = {2017}, month = {SEP}, pages = {977-983}, type = {Journal Article}, abstract = {Xanthopimpla pedator is a major pupal endoparasitoid of tropical tasar silkworm, Antheraea mylitta. Extensive parasitism by X. pedator results in pupal (seed) mortality and broken cocoons, which declines the wild tasar silk production. A detailed account is given on the oviposition behaviour of the female X. pedator and feeding behaviour of its immature forms in the pupa of A. mylitta. Scanning electron microscopic (SEM) details of the ovipositor of X. pedator revealed the presence of various mechano- and chemoreceptors, which regulate host discrimination and oviposition behaviour. The oviposition and feeding behaviour of X. pedator were evaluated in the field as well as in situ conditions. In addition, the invasion caused by X. pedator on A. mylitta, are also described. Host-parasitoid interactions are also discussed and recorded frame-by-frame video-graphically. The parasitoid X. pedator, arrests development and eventually the survival of A. mylitta. We also assume that parasitism by X. pedator in tasar culture is due to the microhabitat and food content of pupal host A. mylitta, which favors the development of parasitoid.}, doi = { 10.1016/j.aspen.2017.07.007}, author = {Gathalkar, G.B.}, editor = {Barsagade, D.D.} } @article {43492, title = {Oxidant mediated one-step complete conversion of multi-walled carbon nanotubes to graphene quantum dots and their bioactivity against mammalian and bacterial cells}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {JAN}, pages = {785-796}, abstract = {It is essential for any antibacterial agent (for clinical applications) that it should have high and selective toxicity towards bacterial cells only, and should not affect the human cells at the concentration used. Graphene quantum dots (GQDs) have emerged as a potential candidate for biomedical applications. However, a simple, low cost, safe, easy to execute, one-step synthesis of uniform and monodispersed GQDs with selective toxicity towards bacterial cells rather than mammalian cells is difficult to achieve. Herein, we have reported a one-step, low-cost, aqueous-phase, simple approach for the complete conversion of multi-walled carbon nanotubes into water-dispersible GQDs with an average size of similar to 3 nm using sodium bismuthate (NaBiO3) as a strong oxidant. The cyclic voltammetry and X-ray photoelectron spectroscopy results indicated that the as-synthesized GQDs suspension possess almost negligible amounts of metallic impurities. The cytotoxicity studies of GQDs against mammalian NIH 3T3 (mouse embryo fibroblast cells) and HEK 293T (human embryonic kidney cells) cells showed that the as-synthesized GQDs were non-cytotoxic up to the concentration of similar to 200 mu g mL(-1). The antimicrobial study shows that the synthesized GQDs have high and selective toxicity towards bacterial cells with a minimum inhibitory concentration of similar to 256 mu g mL(-1) for E. coli and B. subtilis and similar to 512 mu g mL(-1) for P. aeruginosa and S. aureus. The scanning electron microscopy and atomic force microscopy images show extensive cell damage via the perturbation of bacterial cell walls, which was consistent with the enhancement of reactive oxygen species production by almost two times in the bacterial cells upon incubation with similar to 256 mu g mL(-1) GQDs. Our study suggested that the as-synthesized GQDs can be used as a potential candidate for clinical applications as they possess high toxicity to bacterial cells and low toxicity to mammalian cells.}, doi = {10.1039/c6tb02446g}, author = {Biswas, Anupam and Khandelwal, Puneet and Das, Raja and Salunke, Gayatri and Alam, Aftab and Ghorai, Suvankar and Chattopadhyay, Samit and Poddar, Pankaj} } @article {43360, title = {Oxidative intramolecular 1,2-amino-oxygenation of alkynes under Au I /Au III catalysis: discovery of a pyridinium-oxazole dyad as an ionic fluorophore}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {JAN}, pages = {757 - 761}, doi = {10.1002/ange.201609335}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh Sadanand and Rajamohanan, Pattuparambil R. and Kulkarni, Prasad Padmakar and Patil, Nitin T.} } @article {43482, title = {Oxidative intramolecular 1,2-amino-oxygenation of alkynes under Au-I/Au-III catalysis: discovery of a pyridinium-oxazole dyad as an ionic fluorophore}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {JAN}, pages = {757-761}, abstract = {Oxidative intramolecular 1,2-amino-oxygenation reactions, combining gold(I)/gold(III) catalysis, is reported. The reaction provides efficient access to a structurally unique ionic pyridinium-oxazole dyad with tunable emission wavelengths. The application of these fluorophores as potential biomarkers has been investigated.}, doi = {10.1002/anie.201609335}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh S. and Rajamohanan, Pattuparambil R. and Kulkarni, Prasad P. and Patil, Nitin T.} } @inbook {45798, title = {Palladacycles for directed and nondirected C H bond functionalization of (Hetero)arenes}, booktitle = {Strategies for palladium-catalyzed non-directed and directed C-H bond functionalization}, year = {2017}, pages = {357-415}, publisher = {Elsevier}, organization = {Elsevier}, chapter = {Chapter 10 - palladacycles for directed and nondirected CH nond functionalization of (Hetero)arenes}, address = {Mumbai}, abstract = {Application of palladacycle complexes in catalytic organic transformation is rapidly expanding. This chapter is mainly focused on the use of palladacycle precatalysts in CH bond functionalizations, as well as an overview of palladacycle intermediates in directed CH bond functionalization reactions. The described palladacycle precatalysts are more efficient and more selective than the traditional palladium complexes for CH bond functionalization processes. The second part of the chapter summarizes the involvement of palladacycle intermediates in various directed CH bond functionalizations that are proposed with experimental evidence. Some of the palladacycle intermediates described are shown to be competent as catalyst precursors. It has been demonstrated that the formation of palladacycle (precatalyst or intermediate) makes the CH functionalization process more facile, because of the high stability associated with palladacycles.}, issn = {978-0-12-805254-9}, doi = {10.1016/B978-0-12-805254-9.00010-4}, author = {Soni, Vineeta and Punji, Benudhar} } @article {45704, title = {Palladium incorporated on carbonaceous catalyst for Suzuki coupling reaction in water}, journal = {Tetrahedron Letters}, volume = {58}, year = {2017}, month = {MAR}, pages = {1006-1009}, type = {Article}, abstract = {A new palladium incorporated carbonaceous catalyst Pd@CC SO3H -NH2 was synthesized by introducing palladium on glucose derived carbocatalyst. The catalyst was well characterized and was used for the Suzuki coupling of phenyl boronic acid with different aryl halides under aqueous conditions. This green methodology represents a ligand free, cost-effective and operationally convenient method for the synthesis of a variety of biaryl{\textquoteright}s under the conditions that are tolerant for a broad range of functional groups with good to excellent yields. Moreover, the catalyst could be easily recycled and reused at least five times without any significant loss of its catalytic activity. }, doi = {10.1016/j.tetlet.2017.01.093}, author = {Rathod, P. V. and Jadhav, V.H.} } @article {43960, title = {Palladium supported ionic liquid phase catalyst (Pd@SILP-PS) for room temperature Suzuki-Miyaura cross-coupling reaction}, journal = {Molecular Catalysis}, volume = {442}, year = {2017}, month = {DEC}, pages = {126-132}, type = {Journal Article}, abstract = {
A new Pd-SILP based on amino functionalized imidazolium ionic liquid immobilized on Merrifield resin (Pd@SILP-PS) has been synthesized. The catalyst was characterized by different techniques like FT-IR, SEM-EDS, TEM, TGA-DTA and XPS. The catalyst has shown to be highly active in Suzuki-Miyaura cross-coupling reaction of various aryl halides and aryl boronic acids in ethanol at room temperature. The activity of catalyst and the nature of product were highly dependent on the type of the solvent used, as well as the substituents present on the aryl halides. The protic polar solvent ethanol gave desired cross-coupling product in good to excellent yields at room temperature. However the aprotic polar solvent THF gave homocoupling product. The catalyst showed at least five times recyclability without a decrease in product yield.
}, keywords = {Immobilization, Ionic liquid, Palladium, SILP, Suzuki-Miyaura reaction}, doi = {10.1016/j.mcat.2017.08.023}, author = {More, S. and Jadhav, S and Salunkhe, R. and Kumbhar, A.} } @article {44404, title = {Palladium supported on fluorinated magnesium hydroxide: an efficient catalyst for hydrogenation under ambient conditions}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {NOV}, pages = {10618-10627}, abstract = {
In this study palladium supported on fluorinated magnesium hydroxide (Pd-MgF2-x(OH)(x)) was synthesized by fluorination of magnesium hydroxide using aqueous HF as fluorinating agent. The Mg(OH)(2) dissolves in HF and precipitates as magnesium hydroxide fluoride. The Pd precursor was added in the same pot during precipitation of MgF2-x(OH)(x). The final catalyst after drying at 250 degrees C has shown very high efficiency for hydrogenation of styrene and range of nitro aromatics at room temperature and atmospheric pressure. Hydrogenation of styrene has led to 37\% conversion with 100\% selectivity for hydrogenation of double bond after 3 h. The catalyst was successfully recycled for styrene hydrogenation without appreciable loss in the activity. Further hydrogenation of nitro-aromatics was achieved with 99\% conversion and 100\% aniline selectivity at room temperature and atmospheric pressure. The turnover number of similar to 21774 was obtained for nitrobenzene hydrogenation. The catalyst has shown mesoporous nature (pore volume 0.25 cc/g, pore diameter 4.8 nm) with very high surface area of 106 m(2)/g. The palladium particle size was found to be in the range of 10-11 nm. Acidity measurements by FTIR of adsorbed pyridine revealed presence of Lewis acidic sites with moderate acidity. Mechanistic studies using in-situ FTIR analysis for nitrobenzene hydrogenation revealed activation of nitrobenzene on the Lewis acid sites of the support whereas activation of hydrogen by heterolytic cleavage on Pd center.
}, doi = {10.1002/slct.201702217}, author = {Kokane, Reshma S. and Acham, Vaibhav R. and Kulal, Atul B. and Kemnitz, Erhard and Dongare, Mohan K. and Umbarkar, Shubhangi B.} } @article {43309, title = {Panchromatic sensitizer for dye-sensitized solar cells: un-symmetrical squaraine dyes incorporating benzodithiophene π-spacer with alkyl chains to extend conjugation, control the dye assembly on TiO2 and retard charge recombination}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {JAN}, pages = {1920{\textendash}1930}, abstract = {Metal-free near-infrared (NIR) active unsymmetrical squaraine dyes, RSQ1 and RSQ2, with benzodithiophene (BDT) π-spacer and cyanoacrylic acid acceptor were synthesized by utilizing palladium catalyzed direct (hetero)arylation reaction. Methyl and 2-ethylhexyl groups were strategically placed at the BDT unit for RSQ1 and RSQ2 respectively, to investigate the effect of alkylated π-spacer on dye aggregation on the TiO2 surface and recombination reactions at TiO2/dye/electrolyte interface. These dyes have strong absorption ( ε>10(5) M(-1)cm(-1)) in near-infra red (NIR) region and exhibit similar optical and electrochemical properties as they have same conjugated framework. RSQ2 performed better than RSQ1 owing to its higher open-circuit voltage (Voc) and fill factor (ff) in spite of having comparable short-circuit current density (Jsc). The panchromatic incident photon-to-current conversion efficiency (IPCE) response was also observed for both the dyes. RSQ2 showed power conversion efficiency (PCE) of 6.72\% with short-circuit current density (Jsc) of 18.53 mA/cm(2), open circuit voltage (Voc) of 0.538 V, and fill factor (ff) of 67.4\%, without any co-adsorbent. Attenuation of the charge recombination for RSQ2 was revealed by electrochemical impedance analysis (EIS) and open-circuit potential decay transients (OCVD), which attributes to its higher Voc and ff in comparison to RSQ1. }, doi = {10.1021/acs.joc.6b02670}, author = {Bisht, Rajesh and Munavvar, Fairoos Mk and Singh, Ambarish Kumar and Nithyanandhan, Jayaraj} } @article {43796, title = {Partially bio-based poly(amide imide)s by polycondensation of aromatic diacylhydrazides based on lignin-derived phenolic acids and aromatic dianhydrides: synthesis, characterization, and computational studies}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {55}, year = {2017}, month = {NOV}, pages = {3636-3645}, type = {Article}, abstract = {
Two new bio-based diacylhydrazide monomers, namely, 4,4-(propane-1,3-diylbis(oxy))bis(3-methoxybenzohydrazide) and 4,4-(propane-1,3-diylbis(oxy))bis(3,5-dimethoxybenzohydrazide) were synthesized starting from lignin-derived phenolic acids, namely, vanillic acid and syringic acid. A series of poly(amide imide)s was synthesized by polycondensation of these diacylhydrazide monomers with commercially available aromatic dianhydrides. Poly(amide imide)s showed inherent viscosity in the range 0.44-0.56 dLg(-1) and exhibited good solubility in organic solvents. Poly(amide imide)s could be cast into transparent, flexible, and tough films from their N,N-dimethylacetamide solutions. Poly(amide imide)s showed 10\% weight loss in the temperature range 340-364 degrees C indicating their good thermal stability. Glass transition temperature (T-g) of poly(amide imides)s were measured by DSC and DMA which were in the range 201-223 degrees C and 214-248 degrees C, respectively. The T-g values of poly(amide imide)s were dependent on the number methoxy substituents on aromatic rings of diacylhydrazide monomers. Molecular dynamics simulation studies revealed that chain rigidity is the dominant factor for observed trends in T-g. (c) 2017 Wiley Periodicals, Inc.
}, keywords = {Biobased Polymers, Computational studies, Glass-transaction temperature, lignin, Monomers, Plant oils, Polyimide, Reneable resources, Renewable resources, Step-growth polymers, structure-property relations, Sustanaible Polymers, Thermal night, Thermosetting resins, Vanillin}, issn = {0887-624X}, doi = {10.1002/pola.28748}, author = {Kuhire, Sachin S. and Sharma, Pragati and Chakrabarty, Suman and Wadgaonkar, Prakash P.} } @article {43897, title = {Partially bio-based processable polyimides based on aromatic diamine derived from cardanol}, journal = {green Materials}, volume = {5}, year = {2017}, month = {JUN}, type = {Article}, abstract = {A partially bio-based aromatic diamine, namely, 1,1-bis(4-aminophenyl)-3-pentadecylcyclohexane (BAC15) was synthesized starting from cardanol. A series of polyimides were synthesized by one-step high-temperature solution polycondensation of BAC15 with aromatic dianhydrides. Copolyimides were also synthesised by polycondensation of various compositions of BAC15 and 4,4{\textquoteright}-oxydianiline with 3,3{\textquoteright},4,4{\textquoteright}-biphenyl tetracarboxylic dianhydride. Inherent viscosities and number average molecular weights of (co)polyimides were in the range 0.33-1.4 dL/g and 14700-31900 g/mol, respectively, indicating formation of reasonably high molecular weight polymers. Polyimides were soluble in common organic solvents such as chloroform, dichloromethane and tetrahydrofuran and could be cast into transparent, flexible and tough films from their solutions in chloroform. (Co)polyimides exhibited Tg in the range 161{\textendash}254 {\textdegree}C. The lowering of Tg could be attributed to the presence of flexible pentadecyl chains which act as {\textquotedblleft}packing disruptive{\textquotedblright} groups. The temperature at 10\% weight loss (T10) of (co)polyimides was in the range 490{\textendash}515 {\textdegree}C demonstrating their good thermal stability. The virtue of solubility and large gap between Tg and T10 offers (co)polyimides opportunities of both solution as well as melt processability. Copolyimides containing pendent pentadecyl chains exhibited pretilt angle in the range 2.51-2.75{\textdegree} indicating their potential application as alignment layer in liquid crystal display devices.}, doi = {10.1680/jgrma.17.00010}, author = {Shingte, Rahul D. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article {43832, title = {PbS nanostar-like structures as field emitters}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {JUL}, pages = {5175-5179}, type = {Article}, abstract = {
The crystalline PbS nanostars were synthesized by thermal decomposition of thioacetamide (TAA) in aqueous solutions of lead acetate and acetic acid at 80 8 degrees C. The structure and morphology of the PbS nanostars have been characterized using X-Ray Diffraction (XRD), Raman Spectroscopy, Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The optical properties of the PbS nanostars have been studied using UV-Visible absorption Spectroscopy (UVVis). The field emission investigations have been carried out on the as synthesized PbS nanostars at the base pressure of similar to 13 10(-8) mbar. The turn on field required to draw an emission current density of 1 mu A/cm(2) is found to be 1.8 V/mm. The emission current-time plots show good emission current stability of the PbS nanostar emitter over a period of 4 hrs. The results in terms of low turn-on field and long term emission current stability of the PbS nanostars emitter reveals that it can be used in field emission based vacuum microelectronics / nanoelectronic devices.
}, doi = {10.1002/slct.201700350}, author = {Pawar, Mahendra S. and Bankar, Prashant K. and More, Mahendra A. and Late, Dattatray J.} } @article {43879, title = {Pd-catalyzed regioselective mono-arylation: quinazolinone as the inherent directing group for C(sp(2))-H activation}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUN}, pages = {6366-6372}, type = {Article}, chapter = {6366-6372}, abstract = {
The Pd-catalyzed quinazolinone-directed regioselective monoarylation of aromatic rings by C-H bond activation is developed. A broad substrate scope is demonstrated for both quinazolinone as well as diary-liodonium triflates. The use of a base was found to be crucial for this transformation, unlike for the known nitrogen-directed arylations. All of the novel quinazolinones of biological interest were synthesized by using the operationally simple Pd(II)-catalyzed arylation reaction.
}, keywords = {Aromatic rings, catalysis, Chemical activation, Chemical reactions, Palladium compounds, Regioselectivity}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b00948}, author = {Garad, Dnyaneshwar N. and Viveki, Amol B. and Mhaske, Santosh B.} } @article {45729, title = {PD@SBA-15 Nanocomposite catalyst: synthesis and efficient solvent-free semihydrogenation of phenylacetylene under mild conditions}, journal = {Microporous and Mesoporous Materials}, volume = {241}, year = {2017}, month = {MAR }, pages = {266-273}, type = {Article}, abstract = {
Pd-0 nanoparticles (NPs) have been fabricated on SBA-15 using a facile, rapid and highly reproducible microwave-assisted reduction by solvent method. The as-synthesized Pd@SBA-15 nanocomposite was well characterized using low angle and wide angle XRD, TEM, FE-SEM, N-2 adsorption-desorption isotherm, FTIR, XPS etc. The Pd@SBA-15 nanocomposite act as an active, recyclable heterogeneous catalyst for semihydrogenation of phenylacetylene under solvent-free mild reaction conditions (303 K, atmospheric H-2). A maximum of 94.4\% phenylacetylene conversion was achieved with very high selectivity for styrene (95.5\%). Moreover, the used catalyst was recovered by centrifugation and reused up to four times without significant loss in their catalytic activity. This optimized reaction protocol for phenylacetylene was also well performed in case of various other alkynes with similar or better performance. (C) 2016 Elsevier Inc. All rights reserved.
}, keywords = {Pd-0 nanoparticles, Phenylacetylene, SBA-15, Semihydrogenation, Solvent-free}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2016.12.025}, author = {Bhuyan, Diganta and Selvaraj, Kaliaperumal and Saikia, Lakshi} } @article {45766, title = {Penicillin V acylases from gram-negative bacteria degrade N-acylhomoserine lactones and attenuate virulence in Pseudomonas aeruginosa}, journal = {Applied Microbiology and Biotechnology}, volume = {101}, year = {2017}, month = {MAR}, pages = {2383-2395}, type = {Article}, abstract = {
Virulence pathways in gram-negative pathogenic bacteria are regulated by quorum sensing mechanisms, through the production and sensing of N-acylhomoserine lactone (AHL) signal molecules. Enzymatic degradation of AHLs leading to attenuation of virulence (quorum quenching) could pave the way for the development of new antibacterials. Penicillin V acylases (PVAs) belong to the Ntn hydrolase superfamily, together with AHL acylases. PVAs are exploited widely in the pharmaceutical industry, but their role in the natural physiology of their native microbes is not clearly understood. This report details the characterization of AHL degradation activity by homotetrameric PVAs from two gram-negative plant pathogenic bacteria, Pectobacterium atrosepticum (PaPVA) and Agrobacterium tumefaciens (AtPVA). Both the PVAs exhibited substrate specificity for degrading long-chain AHLs. Exogenous addition of these enzymes into Pseudomonas aeruginosa greatly diminished the production of elastase and pyocyanin and biofilm formation and increased the survival rate in an insect model of acute infection. Subtle structural differences in the PVA active site that regulate specificity for acyl chain length have been characterized, which could reflect the evolution of AHL-degrading acylases in relation to the environment of the bacteria that produce them and also provide strategies for enzyme engineering. The potential for using these enzymes as therapeutic agents in clinical applications and a few ideas about their possible significance in microbial physiology have also been discussed.
}, keywords = {N-acylhomoserine lactone acylase, Ntn hydrolase, pathogenesis, Penicillin Vacylase, Quorum quenching}, issn = {0175-7598}, doi = {10.1007/s00253-016-8031-5}, author = {Sunder, Avinash Vellore and Utari, Putri Dwi and Ramasamy, Sureshkumar and van Merkerk, Ronald and Quax, Wim and Pundle, Archana} } @article {43479, title = {Performance of colloidal CdS sensitized solar cells with ZnO nanorods/nanoparticles}, journal = {Beilstein Journal of Nanotechnology}, volume = {8}, year = {2017}, month = {JAN}, pages = { 210-221}, abstract = {
As an alternative photosensitizer in dye-sensitized solar cells, bovine serum albumin (BSA) (a nonhazardous protein) was used in the synthesis of colloidal CdS nanoparticles (NPs). This system has been employed to replace the commonly used N719 dye molecule. Various nanostructured forms of ZnO, namely, nanorod and nanoparticle-based photoanodes, have been sensitized with colloidal CdS NPs to evaluate their effective performance towards quantum dot sensitized solar cells (QDSSCs). A polysulphide (S-x(2-))-based electrolyte and CuxS counter electrode were used for cell fabrication and testing. An interesting improvement in the performance of the device by imposing nanorods as a scattering layer on a particle layer has been observed. As a consequence, a maximum conversion efficiency of 1.06\% with an open-circuit voltage (V-OC) of 0.67 V was achieved for the ZnO nanorod/nanoparticle assembled structure. The introduction of ZnO nanorods over the nanoparticle led to a significant enhancement of the overall efficiency compared to the corresponding bare nanoparticles.
}, doi = {10.3762/bjnano.8.23}, author = {Roy, Anurag and Das, Partha Pratim and Tathavadekar, Mukta and Das, Sumita and Devi, Parukuttyamma Sujatha} } @article {44405, title = {Perspective article: flow synthesis of functional materials}, journal = {Journal of Flow Chemistry}, volume = {7}, year = {2017}, month = {SEP}, pages = {96-105}, abstract = {Continuous-flow synthesis of specific functional materials is now seen as a reliable synthesis approach that gives consistent product properties. This perspective article aims to survey recent work in some of the relevant areas and to identify new domains where flow synthesis of functional materials can be better than the conventional synthesis methods. It also emphasizes the need for developing high-throughput integrated synthesis and screening systems for almost all functional materials so that laboratory-scale recipes can be transformed into reliable manufacturing processes. New areas relevant to functional materials which have remained unexplored in flow synthesis are also highlighted.}, doi = {10.1556/1846.2017.00028}, author = {Sebastian, Victor and Khan, Saif A. and Kulkarni, Amol A.} } @article {43898, title = {Phenol oxidative dearomatization of modified nucleoside templates: a simple access to the c7-spiroannulated octosyl acid framework}, journal = {Synthesis-Stuttgart}, volume = {49}, year = {2017}, month = {SEP}, chapter = {4221-4228}, abstract = {
Phenol oxidative dearomatization and cyclization has been executed successfully on nucleoside templates to synthesize C7-spiroannulated perhydrofuropyran nucleosides and C6-spiroannulated perhydrofurofuran nucleosides as novel analogues of octosyl acid and related peptidyl nucleosides.
}, keywords = {Analogs, antibiotics, Biosynthesis, Chitin synthase, Derivatives, Ezomycins, Glucose Diacetonide Natural-products, Griseofulvin, Malayamycin, Modified nucleosides, Moiety, Peptidyl Glycosides, Phenol Oxidative Dearomatization, Vorbruggen Glycosylation}, issn = {0039-7881}, doi = {10.1055/s-0036-1588543}, author = {Mullapudi, Venkannababu and Bhogade, Ravindra B. and Deshpande, Mukund V. and Ramana, Chepuri V.} } @article {42969, title = {Phenothiazine-based D-A-π-A dyes for highly efficient dye sensitized solar cells: effect of internal acceptor and non-conjugated π-spacer on device performance}, journal = {ChemPlusChem}, volume = {82}, year = {2017}, month = {FEB}, pages = {280-286}, abstract = {Three new D-A-pi-A metal-free organic dyes based on phenothiazine as a donor (D) and non-conjugated pi-spacer were designed and synthesized. The incorporation of different {\textquoteright}internal acceptors{\textquoteright} (electron traps) such as benzothiadiazole (BTD), benzotriazole (BTA), and pyridine were shown to allow systematic tuning of the energy levels and the photophysical properties. The AI-1 dye showed lower electronic disorder compared with the other two dyes. The efficiencies achieved with AI-1, AI-2, and AI-3 dyes were 8.5\% (J(sc) = 15.42 mA cm(-2), V-oc = 0.78 V, FF = 68\%), 7\% (J(sc) = 12.8 mA cm(-2), V-oc = 0.78 V, FF = 68\%) and 6.7\% (J(sc) = 11.57 mA cm(-2), V-oc = 0.82 V, FF = 68.26 \%), respectively. The incorporation of non-conjugated phenothiazine as a p-spacer in D-A-pi-A dyes showed remarkable enhancement in the photovoltaic performance of dye-sensitized solar cell (DSSC) devices. The sealed DSSC devices with iodide/tri-iodide (I-/I-3(-) @)based liquid electrolyte showed promising stability under ambient conditions.}, doi = {10.1002/cplu.201600492}, author = {Nagane, Satyawan and Ichake, Amol and Agrawal, Ishita and Sadhanala, Aditya and Friend, Richard H. and Ogale, Satishchandra and Wadgaonkar, Prakash P.} } @inbook {45800, title = {Photocatalytic degradation of herbicide by using aeroxide{\textregistered}P-90 TiO2 photocatalyst and photo-fenton process in the presence of artificial and solar radiation}, booktitle = {Novel water treatment and separation methods: simulation of chemical processes}, year = {2017}, pages = {1-18}, publisher = {CRC Press}, organization = {CRC Press}, edition = {1}, chapter = {Photocatalytic degradation of herbicide by using aeroxide{\textregistered}P-90 TiO2 photocatalyst and photo-fenton process in the presence of ar}, address = {New York}, abstract = {The presence of herbicide residues in the aquatic environment is an emerging issue due to their uncontrolled release through water and accumulation in the environment that may affect living organisms, environment, and public health. Consequently, the efforts are being made to develop the viable methods to eliminate the herbicides from the environment. The degradation of herbicide particularly amitrole has been investigated in aqueous solutions by using artificial and solar radiation. The effect of Aeroxide TiO2 P-90 photocatalyst loading (1-4 g L-1) on photocatalytic degradation of amitrole (50 mg L-1) was investigated. The degradation of amitrole (initial concentration ranging from 20 to 100 mg L-1) also studied by using photo-Fenton process (FeSO4 (10-30 mg L-1) and H2O2 (100-300 mg L-1)). The effect of pH (3-11), effect of co-existing salts (ammonium sulfate, sodium chloride, and sodium carbonate) as well as effect of type of radiation (artificial or solar radiation) on the degradation of amitrole was evaluated and optimized. The degradation of amitrole was accompanied by formation of intermediates which were detected by LC-MS. According to the results presented in this study, the photo-Fenton process using solar radiation is an efficient technique for degradation of amitrole.}, isbn = {978-177188578-2}, issn = {978-135184676-9}, doi = {10.1201/9781315225395}, author = {Telang, T., and Deosarkar, M.P. and Shetty, R. and Kamble, S.P.} } @article {44031, title = {Photocatalytic degradation of pharmaceuticals pollutants using N-doped TiO 2 photocatalyst: identification of CFX degradation intermediates}, journal = {Indian Chemical Engineer}, volume = {59}, year = {2017}, month = {FEB}, type = {Article}, abstract = {The N-doped TiO2 photocatalyst was synthesized by the sol{\textendash}gel method and characterized in detail in terms of its morphology, structure and composition. The prepared N-doped TiO2 exhibited polycrystalline structure having particle sizes of around 50{\textendash}120 nm and rod-shaped geometry. The N-doped TiO2 was subsequently used for the photocatalytic degradation (PCD) of pharmaceutical micropollutants, namely ciprofloxacin HCl (CFX), naproxen (NPX) and paracetamol (PARA) and it was found that the rate of degradation of CFX and NPX is higher than that of PARA. To verify the beneficial effect of N-doped TiO2 for PCD of CFX, similar experiments were carried out using commercially available Aeroxide P-25 TiO2. It was observed that N-doped TiO2 was more efficient than Aeroxide{\textregistered} P-25 TiO2. It was also found that the PCD of CFX in the presence of N-doped TiO2 was highly efficient under the solar radiation as compared with artificial radiation. The effect of various operating parameters, such as adsorption of CFX, pH of the aqueous solution, effect of co-existing ions on PCD of CFX, was investigated using artificial radiation and optimum conditions were established. The intermediates formed during the PCD of CFX were identified using liquid chromatography tandem mass chromatography (LC-MS/MS). The presented results demonstrate that N-doped TiO2 photocatalyst shows excellent photocatalytic activity in the visible region for the degradation of pharmaceutical pollutants.}, doi = {10.1080/00194506.2016.1150794}, author = {Shetty, Rohit and Chavan, Vilas B. and Kulkarni, Prashant Shripad and Kulkarni, Bhaskar D. and Kamble, Sanjay P.} } @article {43666, title = {Photo-induced cytotoxicity and anti-metastatic activity of ruthenium(II)-polypyridyl complexes functionalized with tyrosine or tryptophan}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {MAY}, pages = {6634-6644}, abstract = {The synergistic effect of oxygen, light, and photosensitizer (PS) has found applications in medicine for the treatment of cancer through photodynamic therapy (PDT). Induction of apoptosis to cancerous cells will prevent tumor metastasis that spreads cancer cells to the neighboring organs/tissues. Herein, we report the two apoptotic Ru(II)-polypyridyl complexes that are functionalized with pendant amino acid moieties tyrosine (1) and tryptophan (2), respectively. These two water soluble complexes were found to interact strongly (K-a(1) = (1.18 +/- 0.28) x 10(5) M-1 and K-a(2) = (1.57 +/- 0.77) x 10(5) M-1) with CT-DNA. Isothermal titration calorimetry (ITC) studies revealed that these complexes bind to CT-DNA through an entropically driven process. Both the complexes showed photo-induced cytotoxicity and exhibit apoptotic activity under photo-irradiation conditions. The comet assay indicated that these complexes can damage cellular DNA, which is attributed to the significant build-up of O-1(2) level even on irradiation with low intensity light (10 J cm(-2), lambda(Range) 450-480 nm). This photoinduced DNA damage and apoptosis in A549 cells was induced by reactive oxygen species (ROS) and occurred through up-regulation of apoptotic marker caspase-3. Control experiments under dark conditions revealed an insignificant cytotoxicity towards these cells for two photosensitive molecules.}, doi = {10.1039/c7dt00670e}, author = {Ramu, Vadde and Aute, Sunil and Taye, Nandaraj and Guha, Rweetuparna and Walker, Michael G. and Mogare, Devaraj and Parulekar, Apoorva and Thomas, Jim A. and Chattopadhyay, Samit and Das, Amitava} } @article {45691, title = {Photovoltaic and photocatalytic performance of electrospun Zn2SnO4 hollow fibers}, journal = {Applied Catalysis B}, volume = {203}, year = {2017}, month = {APR}, pages = {692-703}, type = {Article}, abstract = {The phase pure hollow Zn2SnO4 and green emitting ZnO-SnO2-Zn2SnO4 composite fiber have been prepared by post calcining the as formed fiber by electrospin technique. Depending upon the calcination temperature, the as prepared fiber exhibited a striking variation in composition, microstructure, optical and photo-electrochemical properties. The composition dependent dissimilarity in photovoltaic performance and photocatalytic activity has been established in this work. A relatively enhanced open circuit voltage (Voc) of 0.76 V, fill factor (FF) of 59.78\%, short circuit current Qsc) of 4.2 mA/cm(2) and an overall conversion efficiency (n) of 1.93\% have been achieved for the phase pure Zn2SnO4 porous fiber obtained at the elevated calcination temperature of 1000 degrees C. On the contrary, a relatively reduced Voc, FF, J(sc) and n of 0.70 V, 42.54\%, 3.8 mA/cm(2) and 1.17\%, respectively, have been achieved for the 800 degrees C calcined dense fiber consisting of a mixture of three distinct phases ZnO, SnO2 and Zn2SnO4. Unlike photovoltaic behaviour the trend in photocatalytic performance interestingly got reversed for the ZnO-nO(2)-Zn2SnO4 composite fiber owing to its superior photo-induced charge separation ability followed by generation of larger amount of active hydroxyl radicals (OFF). Our results establish the composite fiber as a preferred photocatalyst in comparison to phase pure Zn2SnO4 towards the textile dyes Methylene blue and Congo red and non absorbing organic pollutants such as Phenol and Bisphenol A under UV illumination.}, doi = {10.1016/j.apcatb.2016.10.035}, author = {Das, P. P. and Roy, A . and Tathavadekar, M. and Devi, P. S.} } @article {43529, title = {Physical mechanism behind enhanced photoelectrochemical and photocatalytic properties of superhydrophilic assemblies of 3D-TiO2 microspheres with arrays of oriented, single-crystalline TiO2 nanowires as building blocks deposited on fluorine-doped tin oxid}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {MAR}, pages = {11202-11211}, abstract = {In comparison to the one-dimensional (1D) semiconductor nanostructures, the hierarchical, three-dimensional (3D) microstructures, composed of the arrays of 1D nanostructures as building blocks, show quite unique physicochemical properties due to efficient photon capture and enhanced surface to volume ratio, which aid in advancing the performance of various optoelectronic devices. In this contribution, we report the fabrication of surfactant-free, radially assembled, 3D titania (rutile-phase) microsphere arrays (3D-TMSAs) composed of bundles of single-crystalline titania nanowires (NWs) directly on fluorine-doped conducting oxide (FTO) substrates with tunable architecture. The effects of growth parameters on the morphology of the 3D-TMSAs have been studied thoroughly. The 3D-TMSAs grown on the FTO-substrate showed superior photon-harvesting owing to the increase in light-scattering. The photocatalytic and photon to electron conversion efficiency of dye sensitized solar cells (DSSC), where the optimized 3D-TMSAs were used as an anode, showed around 44\% increase in the photoconversion efficiency compared to that of Degussa P-25 as a result of the synergistic effect of higher surface area and enhanced photon scattering probability. The TMSA film showed superhydrophilicity without any prior UV irradiation. In addition, the presence of bundles of almost parallel NWs led to the formation of arrays of microcapacitors, which showed stable dielectric performance. The fabrication of single-crystalline, oriented, self-assembled TMSAs with bundles of titania nanowires as their building blocks deposited on transparent conducting oxide (TCO) substrates has vast potential in the area of photoelectrochemical research.}, doi = {10.1021/acsami.6b15420}, author = {Sadhu, Subha and Gupta, Preeti and Poddar, Pankaj} } @article {43537, title = {Phytase production by aspergillus niger NCIM 563 for a novel application to degrade organophosphorus pesticides}, journal = {AMB Express}, volume = {7}, year = {2017}, month = {MAR}, pages = {Article Number: 66}, abstract = {The production of phytase using Aspergillus niger NCIM 563 under submerged fermentation conditions was studied using protein rich chickpea flour as substrate. Employing a hybrid statistical media optimization strategy of Plackett-Burman and Box-Behnken experimental designs in shake-flasks gave an increased phytase activity from an initial 66 IU/mL in 216 h to 160 IU/mL in a reduced time of 132 h. Productivity, thus increased by 3.97 times from 7.3 to 29 IU/mL/day. Using the optimized media, the production was successfully scaled-up further and improved up to 164 IU/mL in 96 h by studies carried out employing 2 and 10-L fermenters. The enzyme supernatant was recovered using centrifugal separation of biomass and the stability of the produced phytase was tested for animal feed applications under gastric conditions. In vitro degradation studies of water soluble monocrotophos, methyl parathion and water insoluble chlorpyrifos, pesticides used extensively in agriculture was carried out. It was observed by HPLC analysis that phytase could degrade 72\% of chlorpyrifos at pH 7.0, 35 degrees C. Comparable results were obtained with monocrotophos and methyl parathion. With chlorpyrifos at higher temperature 50 degrees C as much as 91\% degradation could be obtained. The degradation of chlorpyrifos was further validated by spraying phytase on harvested green chilli ( Capsicum annuum L) under normal conditions of pH 7.0, 35 degrees C and the degradation products obtained analyzed by LCMS. Thus, the present study brings out a potentially novel application of phytase for biodegradation of organophosphorus pesticides.}, doi = {10.1186/s13568-017-0370-9}, author = {Shah, Parin C. and Kumar, V. Ravi and Dastager, Syed G. and Khire, Jayant M.} } @article {43819, title = {pi-Conjugated chromophore incorporated polystyrene nanobeads as single optical agent for three-channel fluorescent probe in bioimaging application}, journal = {ACS Biomaterials Science \& Engineering}, volume = {3}, year = {2017}, month = {AUG}, pages = {1788-1798}, type = {Article}, abstract = {
Fluorescent polystyrene (PS) nanobeads in the size range similar to 70-120 nm incorporating perylene bisimide (PBI-PS) and/or oligo(p-phenylenevinylene) (OPV-PS) was developed by miniemulsion polymerization technique. A dye loading content (DLC) of \<3\% was sufficient to impart high fluorescence emission capability to the PS beads. OPV-PS exhibited emission in the range 400-550 nm with peak emission at 450 nm (lambda(ex) = 350 nm; phi(FL) = 26\%); PBI-PS showed emission from 520-650 nm with peak emission at 545 nm (lambda(ex) = 490 nm; phi(FL) = 9.7\%) in 1x PBS buffer, whereas OPV(PBI)-PS nanobeads incorporating both the fluorophores exhibited multicolor emission capabilities (lambda(ex) from 350 to 490 nm). The nanoparticles were characterized by field-emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM) and dynamic light scattering (DLS) for size and zeta potential for surface charge. For bioimaging applications, the PS nanoparticles were incubated with HeLa cells. Cell viability analysis involving HeLa cells showed more than 90\% cell viability confirming the biocompatibility of the PS The cellular uptake of the nanoparticles was confirmed by flow cytometry analysis and confocal laser scanning microscopy (CLSM) images. The subcellular localization of the nanoparticles in the cytoplasm could be precisely established by their simultaneous multicolor emission. The PS-based single optical agent presented here that can function as three-channel fluorescent probe to meet the requirements for multicolor bioimaging is advantageous.
}, keywords = {Biocompatibility, bioimaging}, doi = {10.1021/acsbiomaterials.7b00259}, author = {Makkad, Sarabjot Kaur and Asha, S. K.} } @article {43922, title = {Pilot-scale pretreatments of sugarcane bagasse with steam explosion and mineral acid, organic acid, and mixed acids: synergies, enzymatic hydrolysis efficiencies, and structure-morphology correlations}, journal = {Biomass Conversion and Biorefinery}, volume = {7}, year = {2017}, month = {SEP}, pages = {179-189}, type = {Article}, abstract = {In lignocellulosic (LC) ethanol processes, to facilitate enzymatic hydrolysis of cellulose, a physical chemical pretreatment is vital. In this study, we explored a single as well as a two-step physical-chemical pretreatment involving steam and mixed acid on unwashed sugarcane bagasse at pilot-scale level in a continuous horizontal reactor. To serve as a large-scale model, pretreatments were carried out at high solid levels of 18{\textendash}20 \% w/w. For the pretreatment, partial replacement of corrosive sulfuric acid with a milder acid-like oxalic acid was explored to derive possible advantages and synergies accruing by using a mixture of mineral acid and organic acid. The results of this work showed that first-step pretreatment carried out by the mixing of sulfuric acid (1.5 \% w/w) and oxalic acid (1.5 \% w/w) at 150 {\textdegree}C followed by a second-step steam explosion pretreatment at 180 {\textdegree}C gave significant synergies and advantages over other variants of pretreatments investigated, such as lower inhibitor levels and lower reaction severity. On post-pretreated bagasse, this study conducted comparative enzymatic hydrolysis study using a simple lab enzyme and a robust commercial enzyme. It was found that the addition of Tween 80 to the lab enzyme improved its performance to match the performance of the commercial enzyme. Scanning electron microscopy (SEM) studies were further carried out to correlate the morphology of pretreated samples with efficiency of enzyme hydrolysis. Besides morphological study, Fourier transform infrared (FTIR) studies of pretreated samples showed higher syringyl/guaiacyl ratio for all pretreatments, indicating lower levels of pseudo-lignins, which is beneficial for improved enzyme hydrolysis.}, doi = {10.1007/s13399-016-0220-z}, author = {Pal, Siddhartha and Joy, Shereena and Kumbhar, Pramod S. and Trimukhe, Kalpana D. and Gupta, Rishi and Kuhad, Ramesh Chander and Varma, Anjani J. and Shankar, Sasi} } @article {42543, title = {Pinched tube flow reactor: hydrodynamics and suitability for exothermic multiphase reactions}, journal = {AIChE Journal}, volume = {63}, year = {2017}, month = {JAN}, pages = {358{\textendash}365}, abstract = {
A novel tubular flow reactor where a straight tube is modified by pinching it periodically at a fixed pitch and at different angles is presented. Pinched tubes (straight tube as well as helical coils) with different pitch and angles between successive pinching are studied. This work reports a detailed hydrodynamic study involving single and two-phase flow. Mixing experiments showed that having an angle of 90{\textdegree} between successive pinchs achieves the shortest mixing length when compared to lower angles. Pressure recovery along with sequence of high and low shear zones and change of flow direction imposed better mixing. Residence time distribution studies showed that higher number of pinch sections decreases the extent of dispersion, yet it deviates from plug flow. The performance is evaluated by carrying a homogeneous and two-phase aromatic nitration and also liquid-liquid extraction. Pinched tube presents an economical option as a flow reactor for conducting exothermic reactions. {\textcopyright} 2016 American Institute of Chemical Engineers AIChE J, 2016
}, keywords = {pinched tube flow reactor; pressure drop; residence time distribution; mass transfer; reactions}, doi = {10.1002/aic.15498}, author = {Sharma, Mrityunjay K. and Potdar, Shital B. and Kulkarni, Amol A.} } @article {43028, title = {Placental proteomics provides insights into pathophysiology of pre-eclampsia and predicts possible markers in plasma}, journal = {Journal of Proteome Research}, volume = {16}, year = {2017}, month = {FEB}, pages = {1050-1060}, abstract = {
Pre-eclampsia is a hypertensive disorder characterized by the new onset of hypertension \>140/90 mmHg and proteinuria after the 20th week of gestation. The disorder is multi-factorial and originates with abnormal placentation. Comparison of the placental proteome of normotensive (n=25) and pre-eclamptic (n=25) patients by gel-free proteomic techniques, identified a total of 2145 proteins in the placenta of which 180 were differentially expressed (\>1.3 fold, p\<0.05). Gene ontology enrichment analysis of biological process suggested that the differentially expressed proteins belonged to various physiological processes such as angiogenesis, apoptosis, oxidative stress, hypoxia, placental development, which are implicated in the pathophysiology of pre-eclampsia. Some of the differentially expressed proteins were monitored in the plasma by multiple reaction monitoring (MRM) analysis, which showed an increase in Apolipoprotein AI and AII in gestational week 26-30th (2-fold, p\<0.01) while haptoglobin and hemopexin decreased in gestational week 26-30th and 40th week/at delivery (1.8 fold, p\<0.01) in pre-eclamptic patients. This study provides a proteomic insight into the pathophysiology of pre-eclampsia. Identified candidate proteins can be evaluated further for the development of potential biomarkers associated with pre-eclampsia pathogenesis.
}, doi = {10.1021/acs.jproteome.6b00955}, author = {Mary, Sheon and Kulkarni, Mahesh J. and Malakar, Dipankar and Joshi, Sadhana Ramchandra and Mehendale, Savita S. and Giri, Ashok P.} } @article {45673, title = {Plant cholesterol biosynthetic pathway overlaps with phytosterol metabolism}, journal = {Nature Plants}, volume = {3}, year = {2017}, month = {JAN}, type = {Article}, abstract = {The amount of cholesterol made by many plants is not negligible. Whereas cholesterogenesis in animals was elucidated decades ago, the plant pathway has remained enigmatic. Among other roles, cholesterol is a key precursor for thousands of bioactive plant metabolites, including the well-known Solanum steroidal glycoalkaloids. Integrating tomato transcript and protein co-expression data revealed candidate genes putatively associated with cholesterol biosynthesis. A combination of functional assays including gene silencing, examination of recombinant enzyme activity and yeast mutant complementation suggests the cholesterol pathway comprises 12 enzymes acting in 10 steps. It appears that half of the cholesterogenesis-specific enzymes evolved through gene duplication and divergence from phytosterol biosynthetic enzymes, whereas others act reciprocally in both cholesterol and phytosterol metabolism. Our findings provide a unique example of nature{\textquoteright}s capacity to exploit existing protein folds and catalytic machineries from primary metabolism to assemble a new, multi-step metabolic pathway. Finally, the engineering of a {\textquoteright}high-cholesterol{\textquoteright} model plant underscores the future value of our gene toolbox to produce high-value steroidal compounds via synthetic biology.}, doi = {10.1038/nplants.2016.205}, author = {Sonawane, P. D. and Pollier, J. and Panda, S. and Szymanski, J. and Massalha, H. and Yona, M. and Unger, T. and Malitsky, S. and Arendt, P. and Pauwels, L. and Almekias-Siegl, E. and Rogachev, I. and Meir, S. and Cardenas, P.D. and Masri, A. and Petrikov, M. and Schaller, H. and Schaffer, A. A. and Kamble, A. and Giri, A. P. and Goossens, A. and Aharoni, A.} } @article {44131, title = { Plasmonic behavior of ionic liquid stabilized gold nanoparticles in molecular solvents}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {NOV}, pages = {12989-12995}, type = {Article}, abstract = {In this paper, we have demonstrated the facile synthesis of stable gold nanoparticles (AuNPs) using imidazolium ionic liquids (ImILs) as a stabilizer as well as a surfactant and their surface plasmon resonance (SPR) in different molecular solvents with varying dielectric properties. The preparation of AuNPs capped with N,N{\textquoteright}-dialkyl ImILs of different chain lengths (denoted as [C-4, C-n-im]Br, n = carbon number of the alkyl chain) has been investigated. With one long alkyl chain (n >= 14), these AuNPs could be stably dispersed in solution over a month. The amphiphilic nature of the imidazolium salt dictates the stability and dispersion of these AuNPs in organic or aqueous solvents. Alkyl chain lengths (n >= 14) and the amount of ImILs have insignificant effect on the size of AuNPs and they possess an average size of 5 nm. These ionic liquid stabilized AuNPs were exploited to examine their optical properties when exposed to various solvent systems by measuring the change in the SPR spectrum. It was seen that the position of the SPR band of AuNPs is greatly influenced by the solvents under consideration. The shift in the SPR absorption band is observed to be in the range of 520 nm to 605 nm for AuNP@[C-4,C-16-im]Br from nonpolar to highly polar solvents. The considerable discovery presented here is that the lambda(SPR) of the SPR shifts to the blue with the increase of carbon atom in the alcohol chain from methanol to 1-decanol. Also for polyethylene glycols (PEGs), the lambda(SPR) shifts to the blue with the increase in molecular weight from PEG 200 to PEG 600. In above both cases, the variation in SPR of AuNPs is observed according to the dielectric properties of the medium in addition to the steric factor of alcohols and PEGs during their interaction with AuNP surfaces.}, doi = {10.1039/c7nj01324h}, author = {Thawarkar, Sachin and Thombare, Balu and Khupse, Nageshwar D.} } @article {43377, title = {Poly(ether urethane)s from aromatic diisocyanates based on lignin-derived phenolic acids}, journal = {Polymer International}, year = {2017}, month = {JAN}, doi = {10.1002/pi.5333}, author = {Kuhire, Sachin and Nagane, Samadhan S. and Wadgaonkar, Prakash} } @article {43903, title = {Polyhydroxyalkanoates as biomaterials}, journal = {MedChemComm}, volume = {8}, year = {2017}, month = {SEP}, chapter = {1774-1787}, abstract = {
Polyhydroxyalkanoates (PHAs) are biopolymers synthesized by bacteria under unbalanced growth conditions. These biopolymers are considered as potential biomaterials for future applications because they are biocompatible, biodegradable, and easy to produce and functionalize with strong mechanical strength. Currently, PHAs are being extensively innovated for biomedical applications due to their prerequisite properties. The wide range of biomedical applications includes drug delivery systems, implants, tissue engineering, scaffolds, artificial organ constructs, etc. In this article we review the utility of PHAs in various forms (bulk/nano) for biomedical applications so as to bring about the future vision for PHAs as biomaterials for the advancement of research and technology.
}, keywords = {Biomedical Applications, Cancer-therapy, Drug-delivery Systems, In-vitro, Molecular-weight, Poly(Ester Urethane)S, poly(ethylene glycol), Regenerative Medicine, Tissue Engineering Applications, Vitro Antibiotic Release}, issn = {2040-2503}, doi = {10.1039/c7md00252a}, author = {Bhagyashri, S. and Gadgil, Thorat and Killi, Naresh and Rathna, Gundloori V. N.} } @article {44092, title = {Polylactic acid (PLA) biocomposites filled with waste leather buff (WLB)}, journal = {Journal of Polymers and the Environment}, volume = {25}, year = {2017}, month = {DEC}, pages = {1099-1109}, type = {Article}, abstract = {A large amount of leather waste is generated from tanning industries and most of which are disposed of landfill or discharged into the natural water bodies without any treatment, causing environmental problems. The aim of this study is to develop eco-biocomposites using waste leather buff (WLB) as filler in Polylactic acid (PLA) matrix to reduce the environmental issues and provide sustainable solution. WLB/PLA composites were prepared by twins-screw micro extruder varying the WLB content from 2\% to 30 wt\%. These composite were extensively characterise by several techniques. Tensile properties of the composites showed addition of WLB resulted in improvement of tensile property of composite and reduction in percentage crystallinity of PLA matrix observed with increase in WLB content. The effect of WLB on properties of interfacial adhesion and dispersion in WLB/PLA composites were studied by SEM. Wettability of composites was tested by contact angle and water absorption studies. WLB/PLA composite showed increase in water absorption with WLB loading. These WLB/PLA composite could be used to develop low cost eco-friendly product material.}, doi = {10.1007/s10924-016-0891-3}, author = {Ambone, Tushar and Joseph, Seena and Deenadayalan, E. and Mishra, Satyendra and Jaisankar, S. and Saravanan, P.} } @article {43874, title = {Polymer and graphene layer to increase dye regeneration and suppress back electron transfer in dye sensitized solar cells}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUN}, pages = {6629-6632}, abstract = {Dye regeneration was improved by using an optimum quantity of graphene, which was dispersed in a polymer that suppresses back electron transfer. Using this approach, DSSCs with an efficiency of 10.4\% have been fabricated.}, doi = {10.1039/c7cc03276e}, author = {Sudhakar, Vediappan and Arulkashmir, Arulraj and Krishnamoorthy, Kothandam} } @article {44007, title = {Polymer-based hybrid catalyst of low Pt content for electrochemical hydrogen evolution}, journal = {International Journal of Hydrogen Energy}, volume = {42}, year = {2017}, month = {SEP}, pages = {22821-22829}, type = {Journal Article}, abstract = {
Hydrogen is regarded as the most promising fuel to replace conventional fossil fuel. The electrochemical production of hydrogen requires catalyst and development of efficient non-Pt catalysts or catalysts with low Pt content are in demand. Herein, we demonstrate the photochemical synthesis of a hydrogen evolution electrocatalyst poly(α-terthiophene)-Pt nanoparticle hybrid material (polyTT-Pt) of low Pt content and its electrocatalytic activity. The synthesis of polyTT-Pt hybrid material involves the photoinduced electron transfer between α-terthiophene (α-TT) and and the subsequent in situ growth of polymer and Pt nanoparticles. The irradiation of the mixture of α-TT and with sunlamp initiates the oxidative polymerization and reduction of Pt complex to Pt nanoparticles. The polymer has cabbage-like microstructure and the in situ grown Pt nanoparticles have an average size of 1.8 nm. The Pt nanoparticles are embedded into the polymer matrix as well as randomly distributed over the polymer. The hybrid material contains 2.91 wt\% of Pt and it shows characteristic electrochemical signature with an electrochemically active surface area of 35.7 m{\texttwosuperior}/gPt. The hybrid material polyTT-Pt is electrocatalytically highly active though it contains very small amount of Pt. It efficiently catalyses hydrogen evolution reaction (HER) and the bench mark current density of 10 mA/cm{\texttwosuperior} is achieved at an overpotential of 67 mV. The mass activity of the hybrid catalyst is 1172 mA/mgPt at the overpotential of 67 mV. The high activity is ascribed to the high electronic conductivity of the polymer matrix, facile access of electrolyte due to the embedded small nanoparticles and the presence of large number of catalytically active Pt sites. Tafel analysis suggests that the HER follows the Volmer-Tafel mechanism. Polymer-based hybrid catalyst of low Pt content for electrochemical hydrogen evolution. Available from: https://www.researchgate.net/publication/319039592_Polymer-based_hybrid_catalyst_of_low_Pt_content_for_electrochemical_hydrogen_evolution [accessed Oct 16 2017].
}, doi = {10.1016/j.ijhydene.2017.07.152}, author = {Chakrabartty, S.}, editor = {Gopinath, C. S.} } @article {45719, title = {Polymerization-incompetent uromodulin in the pregnant stroke-prone spontaneously hypertensive rat}, journal = {Hypertension}, volume = {69}, year = {2017}, month = {MAY}, pages = {910+}, type = {Article}, abstract = {
The kidney is centrally involved in blood pressure regulation and undergoes extensive changes during pregnancy. Hypertension during pregnancy may result in an altered urinary peptidome that could be used to indicate new targets of therapeutic or diagnostic interest. The stroke-prone spontaneously hypertensive rat (SHRSP) is a model of maternal chronic hypertension. Capillary electrophoresis-mass spectrometry was conducted to interrogate the urinary peptidome in SHRSP and the control Wistar-Kyoto strain at three time points: prepregnancy and gestational days 12 and 18. The comparison within and between the Wistar-Kyoto and SHRSP peptidome at all time points detected 123 differentially expressed peptides (fold change \>1.5; P\<0.05). Sequencing of these peptides identified fragments of collagen a-chains, albumin, prothrombin, actin, serpin A3K, proepidermal growth factor, and uromodulin. Uromodulin peptides showed a pregnancy-specific alteration in SHRSP with a 7.8-fold (P\<0.01) and 8.8-fold (P\<0.05) increase at gestational days 12 and 18, respectively, relative to the Wistar-Kyoto. Further investigation revealed that these peptides belonged to the polymerization-inhibitory region of uromodulin. Two forms of uromodulin (polymerization competent and polymerization incompetent) were found in urine from both Wistar-Kyoto and SHRSP, where the polymerizationincompetent form was increased in a pregnancy-specific manner in SHRSP. Nifedipine-treated pregnant SHRSP showed only polymerization-competent uromodulin, indicating that calcium may be mechanistically involved in uromodulin polymerization. This study highlights, for the first time, a potential role of uromodulin and its polymerization in hypertensive pregnancy.
}, keywords = {Hypertension, Kidney, Nifedipine, pregnancy, uromodulin}, issn = {0194-911X}, doi = {10.1161/HYPERTENSIONAHA.116.08826}, author = {Mary, Sheon and Small, Heather Yvonne and Siwy, Justyna and Mullen, William and Giri, Ashok and Delles, Christian} } @article {45765, title = {Polymorphism, isostructurality and physicochemical properties of glibenclamide salts}, journal = {CrystEngComm}, volume = {19}, year = {2017}, month = {FEB }, pages = {918-929}, type = {Article}, abstract = {
Novel salts of glibenclamide (GBA), namely glibenclamide-sodium (GBA-Na), glibenclamide-potassium (GBA-K) and glibenclamide-ammonium (GBA-NH4) were crystallized under different conditions to obtain their polymorphs, and their aqueous solubility and hydration stability studies are reported. The GBA-Na salt is dimorphic (forms I and II)and also exists as hydrate GBA-Na-H2O (form III). The GBA-K salt exists in anhydrous and hydrate forms (GBA-K, forms I and II). Crystal structure analysis of GBA-Na forms I and II showed differences in geometry of the central metal atom and ligand orientation. This kind of polymorphism of sulfonyl urea salts appears to be novel in the Cambridge Structural Database (CSD). The iso-structurality of GBA-Na form I with GBA-NH4 and GBA-K form I salts is discussed. The potassium salts of GBA exhibited higher solubility compared to pure GBA. Specifically GBA-K salt forms I and II showed higher solubility by 77 fold in the water and 33 fold in phosphate buffer (pH 7) compared to the other salts. Dynamic vapor sorption (DVS) showed reversible water sorption without hysteresis for all salts, except for GBA-K form II which transformed to form I after a sorption and desorption cycle as confirmed by PXRD.
}, issn = {1466-8033}, doi = {10.1039/c6ce02295b}, author = {Suresh, Kuthuru and Khandavilli, U. B. Rao and Gunnam, Anilkumar and Nangia, Ashwini} } @article {43887, title = {Polymorphs and cocrystals: a comparative analysis}, journal = {Journal of the Indian Institute of Science}, volume = {97}, year = {2017}, month = {JUN}, pages = {193-226}, type = {Article}, abstract = {
Controlling polymorphism has been the subject of vigorous research in the recent past in the pharmaceutical industry due to the distinct physicochemical properties associated with each solid form. Developing cocrystals/salts of active pharmaceutical ingredients (APIs) has gained tremendous research interest in recent years owing to their potential to improve pharmaceutically relevant properties without affecting therapeutic efficacy. It is observed that compounds that exhibit polymorphism and also contain several H bond donor/acceptor groups have a tendency to form cocrystals and sometime even display cocrystal polymorphism, although this tendency cannot be generalized. The aim of this contribution is to correlate crystal structures of some polymorphic APIs and their respective cocrystals to understand the rationale behind a polymorphic compound generating cocrystals. Here, we make an attempt to compare how the conformation of the molecule observed in its polymorphs support the generation of cocrystals/salts. We understand that it is impossible to cover all the polymorphs and their cocrystals/salts available in the CSD; the comparative study has been carried out with a few case studies, wherein APIs displayed polymorphism (conformation) and also formed cocrystals/salts.
}, doi = {doi.org/10.1007/s41745-017-0028-2}, author = {Gonnade, Rajesh G. and Sangtani, Ekta} } @article {44090, title = {Polyphenylene sulfide- expanded graphite nanocomposites: processing route dependent electrical percolation}, journal = {Journal of Thermoplastic Composite Materials}, volume = {30}, year = {2017}, month = {DEC}, pages = {1603-1614}, type = {Article}, abstract = {Polyphenylene sulfide (PPS)-expanded graphite (ExGr) conducting nanocomposites have been prepared by powder mixing and in situ polymerization routes after sonicating ExGr particles in acetone. Synthesized PPS has been used to make powder mixed composites. The powder mixed composites exhibit a percolation threshold of 3 wt\% due to the formation of graphite nanosheets. When PPS-ExGr composites are prepared by in situ polymerization route, very low electrical percolation threshold less than 0.5 wt\% ExGr is obtained. The low percolation threshold obtained is attributed to better dispersion of ExGr nanosheets in the polymer matrix when compared to powder mixed composites. The synthesized PPS has been characterized by X-ray diffraction, differential scanning calorimetry, and infrared spectroscopy. The formation of graphite nanosheets has been confirmed by transmission and scanning electron microcopy analysis.}, doi = {10.1177/0892705716646420}, author = {Ramanujam, B. T. S. and Radhakrishnan, S. and Deshpande, S. D.} } @article {45722, title = {Polypropylene-based conducting nanocomposites: effect of aspect ratio of second conducting filler on the electrical percolation}, journal = {Journal of Thermoplastic Composite Materials}, volume = {30}, year = {2017}, month = {JUN}, pages = {840-854}, type = {Article}, abstract = {
Powder-mixed polypropylene (PP)-graphite binary composites exhibit an electrical percolation threshold at 10 wt\% graphite signifying insulator-semiconductor transition. Three conducting fillers such as carbon black (CB), sonicated expanded graphite (s-ExGr), and carbon nanofiber (CNF) are mixed with PP-7 wt\% graphite binary composites. The electrical percolation threshold has been found to have inverse relation to the aspect ratio of second conducting fillers in hybrid composites. The aspect ratio of second conducting fillers varies in the order CB \< ExGr \< CNF. The electrical percolation threshold is found to vary for the hybrid composites as 2.2 wt\% for CB addition, 0.75 wt\% for ExGr addition, and 0.2 wt\% for CNF addition in the PP-7 wt\% graphite binary composites. When the aspect ratio of second conducting fillers increases, they reduce the barrier for the charge transport. The second conducting fillers occupy the interspace of graphite and alternating current studies show that the effective dielectric constant increases with the concentration of second conducting filler in the hybrid composites. The composites are characterized by transmission electron microscopy and scanning electron microscopy. Melt-crystallized PP-7 wt\% graphite-CNF composites exhibit higher percolation threshold due to decrease in the polymer viscosity which increases the interparticulate distance.
}, keywords = {carbon nanofiber, Conducting polymer composites, Electrical properties, graphite nanosheets, hybrid composites, percolation, scanning, transmission electron microscopy}, issn = {0892-7057}, doi = {10.1177/0892705715614063}, author = {Ramanujam, B. T. S. and Radhakrishnan, S. and Deshpande, S. D.} } @article {43721, title = {Porous porphyrin organic polymer (PPOP) for visible light triggered hydrogen production}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {APR}, pages = {4461-4464}, type = {Article}, chapter = {4461-4464}, abstract = {A visible light active porphyrin-based porous organic polymer having high chemical stability and surface area has been synthesized and its ability to influence the photocatalytic activity of large band gap-TiO2 nanoparticles has been tested. The resultant composite shows improved photocatalytic activity as compared to the parent precursors. This study provides insights into the photosensitizing ability of the polymer in addition to its ability to firmly harbor nanoparticles onto its surface.}, doi = {10.1039/c7cc00879a}, author = {Mukherjee, Gargi and Thote, Jayshri and Aiyappa, Harshitha Barike and Kandambeth, Sharath and Banerjee, Subhrashis and Vanka, Kumar and Banerjee, Rahul} } @article {44129, title = { Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. part 1: lysozyme aggregation at pH 2 and 7.4}, journal = {Electrochimica Acta}, volume = {254}, year = {2017}, month = {NOV}, pages = {375-383}, type = {Article}, abstract = {Protein instability due to misfolding and aggregation is of big concern for protein based therapeutics because it impacts the bioavailability and immunogenicity of such drugs. The development of simple and cost-effective methods for the analysis of pharmaceutical formulations, indicating the presence or absence of protein aggregates, is consequently of high importance. This work proposes a novel electrochemical interface based on porous reduced graphene oxide coated glassy carbon electrode (GC/prGO) allowing for the early and sensitive identification of protein aggregation by following the change in the oxidative current of the proteins. The novelty of this work lies in the exploration of the ability of GC/prGO interfaces to capture different aggregation behaviors. Lysozyme is used as a model to follow by electrochemistry its aggregation at two pH values, pH 2 and pH 7.4, leading to the formation of amyloid and amorphous aggregates, respectively. Comparing the oxidation peak of lysozyme by differential pulse voltammetry (DPV) for different electrode architectures allowed validating the higher sensitivity of the GC/prGO interface versus bare glassy electrodes or electrodes coated with non-porous reduced graphene oxide. Parallel experiments were performed by fluorescence with thioflavin T, size exclusion chromatography and Atomic Force Microscopy (AFM) imaging. These tests further highlighted the usefulness of GC/prGO electrode to visualize in a fast and reliable manner the changes in the protein structure and the differences between the processes occurring at pH 2 and pH 7.4. In particular, the ability to emphasize changes related to the first steps in aggregation that could be indicative of the aggregation course, recommend the GC/prGO electrode in combination with DPV as a new analytical tool for aggregation studies of biopharmaceuticals. Part 2 of this work will demonstrate later the utility of this approach for the analysis of a fast acting injectable human insulin formulation, Humulin R, used for diabetes treatment as well as for calcitonin. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.electacta.2017.09.083}, author = {Vasilescu, Alina and Boulahneche, Samia and Chekin, Fereshteh and Gaspar, Szilveszter and Medjram, Mohamed Salah and Diagne, Abdou Aziz and Singh, Santosh K. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {43827, title = {Possibly scalable solar hydrogen generation with quasi-artificial leaf approach}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {JUL}, pages = {Article Number: 6515}, type = {Article}, abstract = {Any solar energy harvesting technology must provide a net positive energy balance, and artificial leaf concept provided a platform for solar water splitting (SWS) towards that. However, device stability, high photocurrent generation, and scalability are the major challenges. A wireless device based on quasi-artificial leaf concept (QuAL), comprising Au on porous TiO2 electrode sensitized by PbS and CdS quantum dots (QD), was demonstrated to show sustainable solar hydrogen (490 +/- 25 mu mol/h (corresponds to 12 ml H-2 h(-1)) from similar to 2mg of photoanode material coated over 1 cm(2) area with aqueous hole (S2-/SO32-) scavenger. A linear extrapolation of the above results could lead to hydrogen production of 6 L/h.g over an area of similar to 23 x 23 cm(2). Under one sun conditions, 4.3 mA/cm(2) photocurrent generation, 5.6\% power conversion efficiency, and spontaneous H-2 generation were observed at no applied potential (see S1). A direct coupling of all components within themselves enhances the light absorption in the entire visible and NIR region and charge utilization. Thin film approach, as in DSSC, combined with porous titania enables networking of all the components of the device, and efficiently converts solar to chemical energy in a sustainable manner.}, doi = {10.1038/s41598-017-06849-x}, author = {Patra, Kshirodra Kumar and Bhuskute, Bela D. and Gopinath, Chinnakonda S.} } @article {44163, title = {Potent antimicrobial activity of lipidated short alpha,gamma-hybrid peptides}, journal = {ChemMedChem}, volume = {12}, year = {2017}, month = {OCT}, pages = {1610-1615}, type = {Article}, abstract = {Herein we report the potent antimicrobial activity of alpha,gamma-hybrid lipopeptides composed of 1:1 alternating - and gamma-amino acids. Along with their potent antimicrobial activity against various Gram-positive and Gram-negative bacteria, these hybrid lipopeptides were found to be less hemolytic. Studies into the mechanism of action revealed that these short cationic lipopeptides bind and disrupt the bacterial cell membrane. Time-kill kinetics analyses revealed that the potent alpha,gamma-hybrid lipopeptides completely inhibit bacterial growth in less than 20 minutes. Overall, the promising antimicrobial activity along with lower hemolytic activity displayed by these alpha,gamma-hybrid lipopeptides make them well suited for further exploration into the design of potent lipopeptide antibiotics.}, doi = {10.1002/cmdc.201700370}, author = {Benke, Sushil N. and Thulasiram, Hirekodathakallu V. and Gopi, Hosahudya N.} } @article {43732, title = {Predesigned metal-anchored building block for in situ generation of Pd nanoparticles in porous covalent organic framework: application in heterogeneous tandem catalysis}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {APR}, pages = {13785-13792}, type = {Article}, abstract = {The development of nanoparticle-polymer-hybrid-based heterogeneous catalysts with high reactivity and good recyclability is highly desired for their applications in the chemical and pharmaceutical industries: Herein, we have developed a novel synthetic strategy by choosing a predesigned metal-anchored building block for in situ generation of metal (Pd) nanoparticles in the stable, porous, and crystalline covalent organic framework (COF), without using conventional reducing agents. In situ generation of Pd nanoparticles in the COF Skeleton is explicitly confirmed{\textquoteright} from PXRD, XPS, TEM images, and N-15 NMR spectral analysis. This hybrid material is found to be an excellent reusable heterogeneous catalyst for the synthesis of biologically and pharmaceutically important 2-substituted benzofurans from 2-bromophencils and terminal alkynes via a tandem process with the turnover number up to 1101. The heterogeneity of the catalytic process is unambiguously verified by a mercury poisoning experiment and leaching test. This hybrid material shows superior catalytic performance compared to commercially available homogeneous as well as heterogeneous Pd catalysts.}, doi = {10.1021/acsami.7b02355}, author = {Bhadra, Mohitosh and Sasmal, Himadri Sekhar and Basu, Arghya and Midya, Siba P. and Kandambeth, Sharath and Pachfule, Pradip and Balaraman, Ekambaram and Banerjee, Rahul} } @article {43889, title = {Prediction of degrees API values of crude oils by use of saturates/aromatics/resins/ asphaltenes analysis: computational-intelligence-based models}, journal = {SPE Journal}, volume = {22}, year = {2017}, month = {JUN}, pages = {817-853}, type = {Article}, abstract = {The degrees API value is an important physicochemical characteristic of crude oils often used in determining their properties and quality. There exist models-predominantly linear ones-for predicting the degrees API magnitude from the molecular composition of a crude oil. This approach is tedious and time-consuming because it requires quantitative determination of numerous crude-oil components. Usually, the hydrocarbons present in a crude oil are grouped according to their molecular average structures into saturates, aromatics, resins, and asphaltenes (SARA) fractions. An degrees API-value prediction model dependent on these four fractions is relatively easier to develop, although this approach has been rarely used. A rigorous scrutiny suggests that some of the dependencies between the individual SARA fractions and the corresponding degrees API value could be nonlinear. Accordingly, in this study, SARA-fraction-based nonlinear models have been developed for the prediction of values using three computational-intelligence (CI) formalisms: genetic programming (GP), artificialneural networks (ANNs), and support-vector regression (SVR). The SARA analyses and degrees API values of 403 crude-oil samples covering wide ranges have been used in developing these models. A comparison of the CI-based models with an existing linear model indicates that all the former class of models possess a significantly better degrees API-value prediction and generalization performance than those exhibited by the linear model. Also, the SVR-based model has been found to be the most accurate degrees API-value predictor. Because of their better prediction accuracy, CI-based models can be gainfully used to predict degrees API values of crude oils.}, doi = {10.2118/184391-PA}, author = {Goel, Purva and Saurabh, Kumar and Patil-Shinde, Veena and Tambe, Sanjeev S.} } @article {43972, title = {Preparation of MgO supported platinum nanoparticle catalyst using toluene dispersed platinum sol}, journal = {Applied Surface Science}, volume = {418}, year = {2017}, month = {OCT}, pages = {874-91}, type = {Journal Article}, abstract = {
An effective way of anchoring Pt nanoparticles on MgO using toluene dispersed platinum nanoparticles (Pt-NPs) as one of the ingredient is demonstrated. The usage of particles dispersed in toluene allows the retention of size and size distribution of preformed Pt-NPs even after deposition on MgO support with high active surface area, which is crucial for heterogeneous catalysis. The catalyst thus prepared, displayed selective hydrogenation of cinnamaldehyde to cinnamyl alcohol with high turn on frequency (TOF - 105 h-1) with respect to the total Pt content. We attribute this efficient catalytic performance to the uniform distribution and deposition of Pt on the active MgO support and its better accessible surface as evidenced by the cyclic-voltammetry results.
}, keywords = {catalysis, Catalysts, cyclic voltammetry, Deposition, Magnesia, Nanoparticles, sol-gel process}, doi = {10.1016/j.apsusc.2016.12.058}, author = {Seth, J. and Nepak, D. and Chaudhari, V. R. and Prasad, B.L.V.} } @article {43520, title = {Probing cavity versus surface preference of fluorescent template molecules in molecularly imprinted polystyrene microspheres}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {55}, year = {2017}, month = {MAY}, pages = {1558-1565}, abstract = {Functional polystyrene (PS) crosslinked microbeads were developed by dispersion polymerization as fluorescent molecularly imprinted polymers (MIPs) having cavities with specific recognition sites. The functional azobenzene molecule modified with pyridine was self-assembled with Pyrenebutyric acid (template molecules), and introduced during the second stage of dispersion polymerization of polystyrene. The template molecule was removed from MIP by Soxhlet using acetonitrile as solvent. Non imprinted polymer (NIP) having no template was also synthesized for comparative study. Fluorescence spectroscopy could be used as a tool to derive insight into the location of the template molecules on the MIP or NIP. The template molecules were adsorbed on the surface of the NIPs during binding studies, which was evidenced from the pyrene excimeric emission observed at 440 nm. The template binding efficiency of the NIPs were much lower compared to MIPs. Pyrene emission from MIP upon rebinding showed typical monomeric emission in the 375-395 nm range, confirming its location in isolated cavities. In rebinding studies of the template molecules, the MIPs selectively took up the template for which the cavity was designed, which demonstrated their selectivity towards template molecules. (C) 2017 Wiley Periodicals, Inc.}, doi = {10.1002/pola.28523}, author = {Sonawane, Swapnil L. and Asha, S. K.} } @article {43861, title = {Probing the solute-solvent interactions in the binary mixtures of ionic liquids with water and alcohols by conductance, viscosity and IR spectroscopy}, journal = {Journal of Molecular Liquids}, volume = {238}, year = {2017}, month = {JUL}, pages = {270-280}, type = {Article}, abstract = {The molar conductance and viscosities of the bisulfate ([HSO4](-)) and ethylsulfate ([EtSO4](-))-based imidazolium ionic liquids in various molecular solvents have been measured at 298.15 K as a function of concentration of ionic liquids (1 x 10(-4) to 0.1 mol L-1). It is shown that the anions have considerable effect on the molar conductance and association constant of the [HSO4](-) and [EtSO4](-)-based imidazolium ionic liquids. Higher molar conductance of the [HSO4](-)-based imidazolium ionic liquids in polar protic solvents (water and methanol) is noted as compared to the [EtSO4](-)-based imidazolium ionic liquids, though the [HSO4](-)-based imidazolium ionic liquids possess higher association constant in water than in methanol. The intermolecular interactions in the pure and binary mixture of [HSO4](-) and [EtSO4](-)-based imidazolium ionic liquids have been investigated by IR spectroscopy. The C-2-H stretching vibration frequency of the imidazolium ring reveals the H-bonding between cations and anions of pure ionic liquids and their solutions. The transport properties (limiting molar conductance, transport number, ionic mobility and diffusion coefficient) of cations and anions correlate well with the hydrodynamic radius in their aqueous solutions. The study shows that the energy barrier for charge transfer is minimal as compared to the fluidity of the aqueous solution of the studied ionic liquids obtained from the Arrhenius equation. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.molliq.2017.05.005}, author = {Jain, Preeti and Kumar, Anil} } @article {44122, title = { Processing and characterization of waste leather based polycaprolactone biocomposites}, journal = {Polymer Composites}, volume = {38}, year = {2017}, month = {DEC}, pages = {2889-2897}, type = {Article}, abstract = {Waste leather buff (WLB) filled polycaprolactone (PCL) composites were prepared by twin-screw extrusion varying the WLB content from 2\% to 40\%. These composites were extensively characterized by several techniques in order to establish micro and macroscopic properties. Addition of WLB resulted in improvement of tensile modulus of neat PCL and reduction in percentage crystallinity of PCL matrix was observed with increase in WLB content. Interfacial adhesion and dispersion of WLB on PCL matrix was investigated using Scanning Electron Microscope. Percentage of water uptake increased with increase in concentration of WLB in the composite. These biodegradable composites could be used to develop low cost materials suitable for applications in footwear industry, for making bags, suitcases, etc., eliminating the environmental issues arising from WLB generated from tanneries in leather industry. POLYM. COMPOS., 38:2889-2897, 2017. (c) 2015 Society of Plastics Engineers}, doi = {10.1002/pc.23891}, author = {Joseph, Seena and Ambone, Tushar S. and Salvekar, Abhijit V. and Jaisankar, S. N. and Saravanan, P. and Deenadayalan, E.} } @article {45737, title = {Promotional effect of WOx in Pt-WOx/AlPO4-5 catalyzed deoxygenation of fatty acids}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {FEB}, pages = {1895-1901}, type = {Article}, abstract = {
WOx promoted Pt/AlPO4-5 catalysts with varying Pt and W contents were prepared by wet-impregnation method and characterized. Catalysts with Pt to W weight ratio of 1: 2 exhibited higher catalytic performance than the other compositions in deoxygenation of oleic acid (OA). WOx enhanced significantly the catalytic activity of Pt and enabled quantitative conversion of OA to linear alkanes (predominantly C-18/C-17) at a temperature as low as 280 degrees C. It changed the reaction pathway from decarbonylation/ decarboxylation (DCO for Pt/AlPO4-5) to hydrodeoxygenation (HDO for Pt-WOx/AlPO4-5). It affected the particle size and redox behaviour of Pt. The enhanced H-spill over (by 14.8\%) and presence of strong acid sites (300 - 500 degrees C) are the cause for the high activity of Pt-WOx/AlPO4-5 catalysts even at lower temperatures. Partially reduced WOx activates OA and leads to the HDO product (C-18). In the absence of WOx, Lewis acid sites of the support activate OA through the C=O group and Pt facilitates C-C cleavage and formation of DCO product (C-17).
}, keywords = {biofuels, Deoxygenation, Fatty acids, Green Diesel, Hydrocarbons}, issn = {2365-6549}, doi = {10.1002/slct.201700159}, author = {Janampelli, Sagar and Darbha, Srinivas} } @article {43654, title = {Proton conduction in a hydrogen-bonded complex of copper(II)-bipyridine glycoluril nitrate}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {JUN}, pages = {6968-6974}, abstract = {Bipyridine glycoluril (BPG), a urea-fused bipyridine tecton, forms a square-pyramidal secondary building unit with copper(II) which further self-assembles to give a porous hydrogen-bonded complex. This complex displays a high proton conductivity of 4.45 x 10(-3) S cm(-1) at 90 degrees C and 95\% relative humidity (RH). Chains consisting of coordinated water, solvent water and nitrate anions embedded in the complex are responsible for high proton conduction. The proton conduction pathway was corroborated by ab initio electronic structure calculations with molecular dynamics (MD) simulations using the Nudged Elastic Band (NEB) method. The theoretical activation energy estimated to be 0.18 eV is in close agreement with the experimental value of 0.15 eV which evidences a Grotthuss proton hopping mechanism. We thus demonstrate that the hydrogen-bonded complex encapsulating appropriate counter ions, coordinated water and solvent water molecules exhibts superprotonic conductivity.}, doi = {10.1039/c7dt00425g}, author = {Tayade, Sakharam B. and Dhavale, Vishal M. and Kumbhar, Avinash S. and Kurungot, Sreekumar and Loennecke, Peter and Hey-Hawkins, Evamarie and Pujari, Bhalchandra} } @article {43550, title = {Proton-coupled electron-transfer processes in ultrafast time domain: evidence for effects of hydrogen-bond stabilization on photoinduced electron transfer}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {MAR}, pages = {3455-3465}, abstract = {The proton-coupled electron-transfer (PCET) reaction is investigated for a newly synthesized imidazoleanthraquinone biomimetic model with a photoactive RuIIpolypyridyl moiety that is covalently coupled to the imidazole fragment. Intramolecular H-bonding interactions between imidazole and anthraquinone moieties favor the PCET process; this can be correlated to an appreciable positive shift in the one-electron reduction potential of the coordinated anthraquinone moiety functionalized with the imidazole fragment. This can also be attributed to the low luminescence quantum yield of the RuII-polypyridyl complex used. The dynamics of the intramolecular electron-transfer (ET) and PCET processes are studied by using femtosecond transient absorption spectroscopy. The steady- state spectroscopic studies and the results of the time- resolved absorption studies confirm that H- bonded water molecules play a major role in both ET and PCET dynamics as a proton relay in the excited state. The electron- transfer process is followed by a change in the H- bonding equilibrium between AQ and imidazole in acetonitrile solvent, and protonation of AQ(-) water leads to PCET in the presence of water. A slower forward and backward electron- transfer rate is observed in the presence of D2O compared with that in H2O. These results provide further experimental support for a detailed understanding of the PCET process.}, doi = {10.1002/chem.201605594}, author = {Dey, Ananta and Dana, Jayanta and Aute, Sunil and Maity, Partha and Das, Amitava and Ghosh, Hirendra N.} } @article {44124, title = { p-Selective (sp(2))-C-H functionalization for an acylation/alkylation reaction using organic photoredox catalysis}, journal = { Chemical Communications}, volume = {53}, year = {2017}, month = {NOV}, pages = {12337-12340}, type = {Article}, abstract = {p-Selective (sp(2))-C-H functionalization of electron rich arenes has been achieved for acylation and alkylation reactions, respectively, with acyl/alkylselenides by organic photoredox catalysis involving an interesting mechanistic pathway.}, doi = {10.1039/c7cc07529d}, author = {Pandey, Ganesh and Tiwari, Sandip Kumar and Singh, Bhawana and Vanka, Kumar and Jain, Shailja} } @article {45672, title = {Pyrethrin accumulation in elicited hairy root cultures of chrysanthemum cinerariaefolium}, journal = {Plant Growth Regulation}, volume = { 81 }, year = {2017}, month = {APR}, pages = {365-376}, type = {Article}, abstract = {The flowers of Pyrethrum (Chrysanthemum cinerariaefolium) are known to contain Pyrethrins that are naturally occurring potential insecticide. Hairy roots were induced from leaves of C. cinerariaefolium using Agrobacterium rhizogenes strain A4. The root clones were characterized in to four groups i.e. thick, unbranched (D2 and D5), thin, highly branched (D3), thick, branched (B2) and thick, highly branched (D1, D6). Six established hairy root clones showed the presence of pyrethrin and were selected for elicitation studies. Growth kinetics studies revealed highest growth index in hairy root clone D1 (592.0) followed by D6 and D3 on dry weight basis after 40 days of culture. The maximum pyrethrin content was found in the clone D3 (7.2 mg/g dw) which is comparable to the flowers obtained from the variety "Avadh". Hairy root clone D2 (5.2 mg/g dw) and D6 (1.3 mg/g dw) contained pyrethrin but in less amount as compared to clone D3. The PCR analysis showed the presence of rol B and rol C genes in all the six hairy root clones while rol A was detected only in D2 clone. The methanolic extract of D3 clone showed antifungal activities against phytopathogenic fungal strains which were found maximum against Curvuleria andropogonis followed by Colletotrichum acutatum and Rhizoctonia solani. Hairy root clones D2, D3 and D6 were elicited with culture filtrate of endophytic fungus (Fusarium oxysporum) and bacteria (Bacillus subtilis). The culture filtrate (4.0 \%v/v) of both the fungal and bacterial origin was found to be effective in enhancing the pyrethrin content in all the tested hairy root clones. Clone D3 showed maximum pyrethrin content on elicitation with F. oxysporum (9.7 mg/g dw) and B. subtilis (9.7 mg/g dw) culture filtrate, which is 32 \% higher than the non elicited D3 hairy roots (7.2 mg/g dw). F. oxysporum also enhanced the hairy root growth resulting into the higher biomass yield of D3 (50 \%) and D2 (76 \%) in comparison to control non elicited hairy root clones of D3 and D2, respectively leading to higher pyrethrin yield.}, doi = {10.1007/s10725-016-0213-8}, author = {Khan, Shamshad A. and Verma, Priyanka and Banerjee, Suchitra and Chaterjee, Arnab and Tandon, Sudeep and Kalra, Alok and Khaliq, Abdul and Rahman, Laiq Ur} } @article {43263, title = {Quinolidene based monocarbonyl curcumin analogues as promising antimycobacterial agents: synthesis and molecular docking study}, journal = {Bioorganic \& medicinal chemistry letters}, volume = {27}, year = {2017}, month = {FEB}, pages = { 922-928}, abstract = {
A series of quinoline incorporated monocarbonyl curcumin analogues was efficiently synthesized using [HDBU][HSO4] as catalyst via Knoevenagel type condensation and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG in dormant state. The analogues 3e, 3h, 4a and 4e exhibited very good antitubercular activity. The antiproliferative activity of the analogues against MCF-7, A549 and HCT-116 cell lines was evaluated using modified MTT assay and these compounds were found to be non-cytotoxic. Molecular docking study has been carried out against M. tuberculosis pantothenate synthetase (MTB PS) enzyme in an effort to enhance the understanding of their action as antitubercular agents. The potency, low cytotoxicity and selectivity of these analogues support them as valid leads for further optimization.
}, doi = {10.1016/j.bmcl.2017.01.004}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Nawale, Laxman U. and Sarkar, Dhiman and Khedkar, Vijay M. and Shingate, Bapurao B.} } @article {42939, title = {Quinolidene-rhodanine conjugates: facile synthesis and biological evaluation}, journal = {European Journal of Medicinal Chemistry}, volume = {125}, year = {2017}, month = {JAN}, pages = {385{\textendash}399}, type = {Article}, abstract = {
A series of rhodanine incorporated quinoline derivatives were efficiently synthesized using reusable DBU acetate as ionic liquid and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743) both in active and dormant state. Compounds 3e, 3f, 3g, 3h and 3i exhibited very good antitubercular activity. The active compounds were studied for cytotoxicity against HUVEC, THP-1, macrophages, A549, PANC-1 and HeLa cell lines using modified MTT assay and were found to be noncytotoxic. Inactivity of all these compounds against Gram positive and Gram negative bacteria indicates their specificity towards the MTB. Further, the synthesized compounds have been screened for their in vitro antifungal activity. In addition, the molecular docking studies revealed the binding modes of these compounds in active site of Zmp1 enzyme, which in turn helped to establish a structural basis of inhibition of mycobacteria. The results of present study clearly indicate the identification of some novel, selective and specific inhibitors against MTB that can be explored further for potential antitubercular drug.
}, doi = {10.1016/j.ejmech.2016.09.059}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Shingate, Bapurao B. and Nawale, Laxman and Sarkar, Dhiman and Khedkar, Vijay M. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N.} } @article {43775, title = {Rapid synthesis of highly monodispersed silver nanoparticles from the leaves of Salvadora persica}, journal = {Materials Letters}, volume = {205}, year = {2017}, month = {OCT}, pages = {226-229}, type = {Article}, abstract = {We have demonstrated a one pot green protocol for the synthesis of highly monodispersed silver nanoparticles using leaves of Salvadora persica plant. When the leaf extract of Salvadora persica plant reacted with silver nitrate (AgNO3) solution it resulted in the synthesis of highly monodispersed silver nanoparticles with an average size of 3 nm. These nanoparticles were then completely characterized by UV-Visible spectroscopy, Transmission Electron Microscopy, Energy Dispersive Analysis of X-Rays, X-ray diffraction analysis and Fourier Transform Infrared analysis. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.matlet.2017.06.089}, author = {Khan, Mamatha R. Shadab and Salunkhe, Pooja and Satpute, Shruti and Kendurkar, Shuchishweta and Prabhune, Asmita and Deval, Animesh and Chaudhari, Bhushan P.} } @article {45742, title = {Ratiometric sensor for DNA based on a dual emission Ru(dppz) light-switch complex}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {MAY }, pages = {6079-6086}, type = {Article}, abstract = {
Herein we describe the DNA binding properties of two new water-soluble ruthenium complexes; experimental and computational data reveal that both complexes display dual emission from MLCT and LLCT excited states. The interaction of the new complexes with DNA was also investigated. Although one of the complexes only binds DNA though groove binding, the second complex has separate ligands capable of groove binding and intercalation. Nevertheless, it was found that both complexes interact with duplex DNA with high affinity. DNA induced distinctive changes in the emission of the complexes; although the groove binding complex only displays a modest increase in emission on binding, the complex that contains the intercalating Ru-II(dppz) moiety displays a large increase in MLCT-based emission on DNA binding while emission from the LLCT excited state is unaffected. This means that the complex functions as the first ratiometric sensor for DNA.
}, issn = {1477-9226}, doi = {10.1039/c7dt00801e}, author = {Walker, Michael G. and Ramu, Vadde and Meijer, Anthony J. H. M. and Das, Amitava and Thomas, Jim A.} } @article {43495, title = {Reaction engineering of urea alcoholysis: alkyl carbamates}, journal = {Indian Journal of Chemical Technology}, volume = {24}, year = {2017}, month = {JAN}, pages = {9-19}, abstract = {Urea alcoholysis is a reversible reaction generating alkyl carbamate and ammonia as products. The reaction can be performed non-catalytically or in presence of catalyst. The first step in Reaction engineering analysis is to finalize the reactor configuration. In this case it is important to determine the necessity of reactive separation (simultaneous reaction and separation). This has been addressed by first establishing the reversibility of the reaction through theoretical and experimental investigation. Based on this analysis, an experimental setup comprising tubular reactor and a separator has been built. Experiments have been performed for different alcohols at different flow rates and temperatures. The experimental data is used to establish kinetic parameters. Systematic reaction engineering analysis based on multi-stage ideal reactors with and without simultaneous mass transfer is then carried out in terms of three dimensionless numbers. The analysis presented in this work can be readily applied to a general class of reversible reactions with volatile products and the methodology can be used to develop and design reactors for them. The approach and results presented here will be useful to establish optimal reactor configuration and design for urea alcoholysis reactions.}, author = {Mote, Dhananjay R. and Ranade, Vivek V.} } @article {43476, title = {Reactive distillation for the production of methoxy propyl acetate: experiments and simulation}, journal = {Industrial \& Engineering Chemistry Research}, volume = {56}, year = {2017}, month = {FEB}, pages = {832-843}, abstract = {Propylene glycol methyl ether acetate is an industrially important solvent. In this work, we study the applicability of reactive distillation (RD) for its synthesis in the presence of an ion-exchange resin, Amberlyst 15, as a catalyst. Simultaneous separation of water during the course of reaction shifts the reaction in the forward direction, which renders cost effectiveness and compactness to the process. The presence of an azeotrope between methoxy propanol and water complicates the separation, leading to a loss of reactants in the product streams, thereby hampering both conversion and purity. Toluene is thus used as an entrainer to further intensify the process. In this work, the intrinsic kinetic parameters are determined from batch reactor data, and used subsequently to simulate the column performance. An experimentally validated simulator is used to examine the effect of various operating and design parameters. Reactant and product losses are minimized to negligible levels and a significant increase in the conversion is realized.}, doi = {10.1021/acs.iecr.6b03489}, author = {Gadekar-Shinde, Shambala and Reddy, Bhoja and Khan, Mohammad and Chavan, Sanjay and Saini, Dauiat and Mahajani, Sanjay} } @article {43810, title = {Reactivity of difunctional polar monomers and ethylene copolymerization: a comprehensive account}, journal = {Macromolecules}, volume = {50}, year = {2017}, month = {AUG}, pages = {5748-5758}, type = {Article}, abstract = {A comprehensive picture of insertion of 1,1-disubstituted difunctional olefins, their ability to double the functional group density at the same level of incorporation as that of monofunctional olefin, and copolymerization with ethylene has been demonstrated. Exposure of a palladium complex [{P boolean AND O}PdMe(L)] (P boolean AND O = kappa(2)-P,O-Ar2PC6H4SO2O with Ar = 2-MeOC6H4.; L = C2H6OS) to methyl 2-acetamidoacrylate (MAAA) revealed slight preference for 1,2-insertion over 2,1-insertion (1.0:0.7). In contrast, insertion of electron-deficient 2-(trifluoromethyl)acrylic acid (TFMAA) unveiled selective 2,1-insertion {via [(P boolean AND O)PdC5H6F3O2] (11)1. The unstable intermediate 11 undergoes beta-hydride and beta-fluoride elimination to produce subsequent insertion and elimination products. The identity of elimination products (E/Z)-2-trifluoromethyl)but-2-enoic acid [17(E/Z)] and 2-(difluoromethylene)butanoic acid (13) was fully established by 1-2D NMR spectroscopy. These insertion experiments, taken together with insertion rates, suggest that MAAA and TFMAA. are amenable to insertion. Polymerization of ethylene with MAAA, TFMAA, acetamidoacrylic acid, 2-bromoacrylic acid, dimethyl allylmalonate, and allylmalonic acid was catalyzed by [{P boolean AND O}PdMe(L)] (L = C2H3N) (S.ACN), and the highest incorporation of 11.8\% was observed for dimethyl allylmalonate (DMAM). The changes in the surface properties of the copolymers after incorporation of difunctional olefins were evaluated by measuring the water contact angle. Copolymer with highest (11.8\% of DMAM) incorporation revealed a reduced water contact angle of 76 degrees. These findings demonstrate that 1,1-disubstituted difunctional olefins are amenable to polymerization, and incorporation of difunctional olefins In polyethylene backbone leads to the production of relatively hydrophilic polyethylene copolymers.}, doi = {10.1021/acs.macromol.7b01356}, author = {Gaikwad, Shahaji R. and Deshmukh, Satej S. and Koshti, Vijay S. and Poddar, Suparna and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Chikkali, Samir H.} } @article {43699, title = {Rearrangement of imine double bond in activated quinazolinones: synthesis of phaitanthrin E}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {56}, year = {2017}, month = {MAY}, pages = {527-530}, abstract = {Wolff-Kishner reduction of tryptanthrin to indoloquinazolinone followed by lithium diisorpropylamide induced acylation of the active methylene group with methyl chloroformate directly furnishes the phaitanthrin E in very good yield. Similar acylations of indoloquinazolinone have also been performed with four different acyl chlorides. In all examples, facile rearrangement of imine double bond from quinazolinone to indole moiety to form the corresponding alpha,beta-unsaturated carbonyl system is observed.}, author = {Vaidya, Sagar D. and N. P. Argade} } @inbook {44023, title = {Recent innovations in coronary stents}, booktitle = {Emerging Applications, Perspectives, and Discoveries in Cardiovascular Research}, year = {2017}, pages = {12}, abstract = {In heart diseases, there are frequent incidents of narrowing or blocking coronary arteries by fatty plaque deposition. As a result, blood pressure rises and the arteries weaken. This can lead to rapid rupture of the blood vessels, also known as heart attack or brain stroke. In some cases the arteries lose elasticity over old age. Heart stent or coronary stent inserts in the blocked/fragile region of coronary artery. It helps to expand the artery to allow free flow of blood and consequently, reduces blood pressure. Over past 20 years there are many modifications and innovations in the field of cardiac stents, in this chapter we will discuss few of those. }, doi = {10.4018/978-1-5225-2092-4.ch013}, author = {Sengupta, Poulomi} } @article {44044, title = {Recovery of radio-cesium from actual high level liquid waste using solvents containing calix[4]arene-crown-6 ligands}, journal = {Journal of Environmental Chemical Engineering}, volume = {5}, year = {2017}, month = {AUG}, chapter = {4134-4140}, abstract = {
This paper gives two methods, viz. a solvent extraction method and a hollow fiber contactor based liquid membrane method, for the separation of radio-cesium from actual high level liquid waste (HLLW) solutions using calix[4]arene-crown-6 based solvent systems. While the solvent extraction method involved calix[4]arene-bis-benzo-crwon-6 (CBC) in PTMS (phenyltrifluoromethyl sulphone), the hollow fiber supported liquid membrane method used a polysulphone fiber containing contactor and bis-octyl-benzo-calix[4]arene-mono-crown-6 (CMC) in 40\% iso-decanol + 60\% n-dodecane. Both methods reported selective radio-cesium separation with almost no contamination from the associated fission product radionuclides. The radiolytic stability of the hollow fiber contactor was checked by keeping the contactor module in contact with the diluted HLLW for 50 days. The second run carried out after 50 days resulted in excellent reproducibility suggesting efficacy of this method for radioactive waste remediation.
}, keywords = {137Cs, Calix-crown-6, Cesium, fibers, Fission products, Hollow fiber contactor, Liquid membranes, liquids, PUREX-HLLW, Radioactive wastesSolvent extraction, solvent extraction, Solvents}, issn = {2213-3437}, doi = {10.1016/j.jece.2017.07.055}, author = {Jagasia, P. and Dhami, P. S. and Mohapatra, P. K. and Ansari, S. A. and Jadhav, S. Y. and Kalyankar, G. K. and Gandhi, P. M. and Kharul, U. K.} } @article {43795, title = {Redox-mediated 3D graphene based nanoscoop design for ultracapacitor applications}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {AUG}, pages = {8390-8398}, type = {Article}, abstract = {Contemporary energy storage devices significantly rely on the rational design of micro and nanostructural features of electrode materials for efficient ion transport. A judicious concept of utilizing the extended charge mobility on the third dimension along with an active redox couple to significantly maximize the capacitance has been demonstrated via (a) the fabrication of a 3D network from 2D graphene and (b) the introduction of an active redox species. Compared with traditional graphene systems, an unprecedented 8-fold gain of capacitance that was sustained with minimal loss even beyond 5000 cycles is achieved and is reported for the first time. This was due to the complementary advantage of both the electric double layer capacitance of the 3D graphene electrode and the redoxmediated pseudocapacitance of K3Fe(CN)(6) in alkaline electrolytes. Colloidal polystyrene spheres with a tunable size range were used as sacrificial templates for generating the 3D network. This design outperforms others, is an excellent candidate as an ultracapacitor and is envisaged to lead to new opportunities in several electrochemical applications.}, doi = {10.1039/c7nj01461a}, author = {Rani, Pallavi and Jhajharia, Suman Kumari and Selvaraj, Kaliaperumal} } @article {43668, title = {Reductive activation of O-2 by a bioinspired Fe complex for catalytic epoxidation reactions}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {MAY}, pages = {5914-5917}, type = {Article}, abstract = {Aerobic epoxidation of olefins catalyzed by iron complexes without the use of a sacrificial coreductant is unknown. We report the reductive activation of O-2 by a bioinspired [(bTAML)Fe-III(H2O)](-) (1) complex to catalyze the epoxidation of alkenes with TONs of up to 80. Spectroscopic and kinetic evidence indicates the involvement of FeV(O) as the active oxidant during the reaction.}, doi = {10.1039/c7cc00933j}, author = {Singh, Kundan K. and Sen Gupta, Sayam} } @article {43998, title = {Removal of endrin and dieldrin isomeric pesticides through stereoselective adsorption behavior on the graphene oxide-magnetic nanoparticles}, journal = {Environmental Science and Pollution Research}, year = {2017}, month = {SEP}, pages = {1-9}, type = {Article in Press}, abstract = {
A novel stereoselective removal behavior of isomeric endrin and dieldrin pesticides from sample solution is demonstrated using nanocomposite of graphene oxide (GO) and iron oxide (Fe3O4) magnetic nanoparticles (MNPs). The removal efficiency of endrin and dieldrin was found higher when GO-MNPs was used as a separating probe than the individual use of GO and MNPs. The removal efficiency of both the pesticides was found to be more favorable when the dosage amount of GO-MNPs was 30 mg for 30-min contact time with pH 4.0 at room temperature. The good correlation of determination (R2) with 0.975 and 0.973 values obtained for endrin and dieldrin, respectively demonstrated a well fitting of Langmuir adsorption isotherm model. The higher removal percentage (86.0\%) and higher slope value of Langmuir adsorption isotherm were estimated for endrin compared to dieldrin (74.0\%). The reason for higher adsorption percentage of endrin is due to the endo-position of oxygen atom in molecule favors more interaction of molecules with GO-MNPs compared to the exo-position of oxygen present in dieldrin. In addition, the higher value of R2 for endrin and dieldrin demonstrated better suitability of pseudo-first-order and pseudo-second-order kinetic models, respectively. The advantages of the present method are use of simple UV-vis spectrophotometry for monitoring and low-cost use of GO-MNPs nanomaterial for the removal of pesticides from sample solution. {\textcopyright} 2017 Springer-Verlag GmbH Germany
}, keywords = {Dieldrin, Endrin, Isomeric Pesticides, Removal}, doi = { 10.1007/s11356-017-0159-z}, author = {Shrivas, K. and Ghosale, A. and Nirmalkar, N. and Srivastava, A and Singh, S. K. and Shinde, S. S.} } @article {44011, title = {Repurposing Ivacaftor for treatment of staphylococcus aureus infections}, journal = {International Journal of Antimicrobial Agents}, volume = {50}, year = {2017}, month = {SEP}, pages = {389-392}, type = {Journal Article}, abstract = {
Drug repurposing of non-antimicrobials is a novel method to augment a seriously depleted drug pipeline for targeting drug{\textendash}resistant pathogens. This article highlights the potent antimicrobial activity of Ivacaftor against Staphylococcus aureus, including vancomycin{\textendash} and other multidrug{\textendash}resistant strains. The potent activity of Ivacaftor in vivo is also demonstrated in a murine neutropenic thigh infection model. Taken together, these results support the potential of Ivacaftor as an antimicrobial agent for the treatment of staphylococcal infections. {\textcopyright} 2017 Elsevier B.V. and International Society of Chemotherapy
}, doi = {10.1016/j.ijantimicag.2017.03.020}, author = {Thakare, R. and Das, S. and Vasudevan, N. and Jachak, G.R. and Reddy, D.S. and Dasgupta, A. and Chopra, S.}, editor = {Singh, A. K.} } @conference {43743, title = {Resistin mediates sex-dependent effects of perivascular adipose tissue on vascular function in the shrsp}, booktitle = {20th Annual Meeting of the Scottish-Cardiovascular-Forum}, volume = {103}, year = {2017}, month = {APR}, pages = { A3-A3}, type = {Meeting Abstract }, doi = {10.1136/heartjnl-2017-311433.6}, author = {McNeilly, Sarah and Small, Heather Y. and Mary, Sheon and Sheikh, Adam and Delles, Christian} } @article {44174, title = {Resolution of the identity and cholesky representation of EOM-MP2 approximation: implementation, accuracy and efficiency}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {OCT}, pages = {1611-1626}, type = {Article}, abstract = {We present a Resolution of Identity and Cholesky Decomposition Based Implementation of EOM-MP2 approximation. The RI and CD based EOM-MP2 shows significant speed-up and less storage requirement than the conventional canonical version and can be applied to very large systems. The new algorithm used for this implementation eliminates the most storage requiring four-index quantities resulting in the decrease of storage requirement, reduction in I/O penalties and improved parallel performance, at the expense of more floating point operations. Therefore, the speed-up compared to conventional EOM-MP2 method is more prominent in case of EA, EE and SF case where the storage bottleneck is significant than the EOM-IP-MP2 method, where the storage requirement is significantly less. However, the RI/CD based EOM-IP-MP2 can be coupled with frozen natural orbitals to gain further speed-up.}, keywords = {CC, CD, Cholesky decomposition, EA, EE, electron attachment, electron correlation, EOM, equation-of-motion, excited state, ionization, IP, MP2, Resolution-of-identity, RI, SF, spinflip}, issn = {0974-3626}, doi = {10.1007/s12039-017-1378-z}, author = {Kumar, Dinesh and Dutta, Achintya Kumar and Manohar, Prashant Uday} } @article {43789, title = {Revealing the mystery of metabolic adaptations using a genome scale model of Leishmania infantum}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {AUG}, type = {Article}, abstract = {Human macrophage phagolysosome and sandfly midgut provide antagonistic ecological niches for Leishmania parasites to survive and proliferate. Parasites optimize their metabolism to utilize the available inadequate resources by adapting to those environments. Lately, a number of metabolomics studies have revived the interest to understand metabolic strategies utilized by the Leishmania parasite for optimal survival within its hosts. For the first time, we propose a reconstructed genome-scale metabolic model for Leishmania infantum JPCM5, the analyses of which not only captures observations reported by metabolomics studies in other Leishmania species but also divulges novel features of the L. infantum metabolome. Our results indicate that Leishmania metabolism is organized in such a way that the parasite can select appropriate alternatives to compensate for limited external substrates. A dynamic non-essential amino acid motif exists within the network that promotes a restricted redistribution of resources to yield required essential metabolites. Further, subcellular compartments regulate this metabolic re-routing by reinforcing the physiological coupling of specific reactions. This unique metabolic organization is robust against accidental errors and provides a wide array of choices for the parasite to achieve optimal survival.}, doi = {10.1038/s41598-017-10743-x}, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article {43782, title = {Review on cellulose and lignin based binders and electrodes: Small steps towards a sustainable lithium ion battery}, journal = {International Journal of Biological Macromolecules}, volume = {103}, year = {2017}, month = {OCT}, pages = {1032-1043}, type = {Article}, abstract = {Lithium ion batteries (LIB) are the most promising energy storage systems for portable electronics and future electric or hybrid-electric vehicles. However making them safer, cost effective and environment friendly is the key challenge. In this regard, replacing petro-derived materials by introducing renewable biomass derived cellulose derivatives and lignin based materials into the battery system is a promising approach for the development of green materials for LIB. These biomaterials introduce sustainability as well as improved safety in the final disposal of LIB batteries. In this review we introduce LIB materials technology in brief and recent developments in electrodes and binders based on cellulose and their derivatives and lignin for lithium ion batteries. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.ijbiomac.2017.05.155}, author = {Nirmale, Trupti C. and Kale, Bharat B. and Varma, Anjani J.} } @article {45670, title = {Revisiting HOPG superlattices: structure and conductance properties}, journal = {Surface Science}, volume = { 658 }, year = {2017}, month = {APR}, pages = {55-60}, type = {Article}, abstract = {Superlattices observed on highly oriented pyrolytic graphite (HOPG) have been studied extensively by scanning tunnelling microscopy (STM). The interest in the study of graphite superlattices has seen a resurgence since the discovery of graphene. Single layer graphene, bilayer graphene, and few layer graphene can now be grown on different substrates. The adherence of graphene to various substrates often leads to a periodic out-of-plane modulation and superlattices due to lattice mismatch. In this paper, we report STM imaging and scanning tunnelling spectroscopy (STS) of different kinds of superlattices on HOPG characterized by a variation in lattice periodicities. Our study also shows evidence of the displacement of the topmost HOPG layer by scanning different areas of the same superlattice. A correlation between the lattice periodicity with its conductance properties is derived. The results of this work are important for understanding the origin of the superlattice structure on HOPG. Investigation of such superlattices may open up possible ways to modify two dimensional electron systems to create materials with tailored electronic properties.}, doi = {10.1016/j.susc.2016.12.002}, author = {Patil, Sumati and Kolekar, Sadhu and Deshpande, Aparna} } @article {43725, title = {Rigid peptide scaffold-incorporated structural analogs of the potent antidepressant peptide drug rapastinel (GLYX-13)}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {APR}, pages = {3594-3596}, type = {Article}, abstract = {
Rapastinel (GLYX-13) is a natural amidated tetrapeptide (Thr-Pro-Pro-Thr-NH2)endowed with strong antidepressant property. Rapastinel shows considerable promise for treating drug-resistant major depressive disorder (MDD), and is under clinical phase III development. Herein, we report the synthesis of a novel class of analogues of the potent antidepressant peptide drug rapastinel featuring rigid dipeptide scaffolds comprising proline (L/D) and amino thiophene carboxylates (Atc). Amino thiophene carboxylate is a conformationally constrained aromatic beta-amino acid, known to rigidify peptide backbones thereby limiting the conformational flexibility of peptides and improving proteolytic stability.
}, doi = {10.1002/slct.201700605}, author = {Nadimpally, Krishna Chaitanya and Chakrapani, Aswathi and Prabhu, Priyanka J. and Madica, Krishnaprasad and Sanjayan, Gangadhar J.} } @inbook {45801, title = {Ring-opening polymerization and metathesis polymerizations}, booktitle = {Metal-catalyzed polymerization: fundamentals to applications}, year = {2017}, pages = {137-160}, publisher = {CRC Press}, organization = {CRC Press}, chapter = {Ring-opening polymerization and metathesis polymerizations}, abstract = {Aliphatic polyesters are important industrial polymers that have applications as fibers, coatings, bulk packaging materials, and films. Their biodegradable nature makes them an environmentally friendly alternative to the nondegradable plastics. 1 Copolymers of lactide and trimethylene carbonate (TMC) are used as thermoplastic elastomers and biomaterials for applications in tissue engineering, drug delivery, as biodegradable devices for bone fracture repair and sutures. The monomer for poly(lactic acid) (PLA), d, l-lactide is a dimer of lactic acid (LA), which is produced from natural sources such as a starch or sugar via bacterial fermentation of D-glucose. 2 Hence, production of poly(lactide) is environmentally friendly. Manufacturing of PLA has become profitable over the years. Natureworks LLC, a joint venture between Cargill and Teijen Limited, set up a 300 million pounds per year PLA production plant and sells PLA under the trade name Ingeo{\texttrademark}, which is produced in isotactic form by a carbon neutral process. Its physical properties are similar to polyolefins and polystyrene. 3 The polycondensation route for PLA is undesirable since it is difficult to produce high molecular weight polymer, making ring-opening polymerization (ROP) the method of choice. In this chapter, ROP toward sustainable polymers such as PLA and poly(e-caprolactone) (PCL) only will be discussed. ROP is a living polymerization, that is, it shows fast initiation and minimal termination and transfer reactions, however it follows step-growth kinetics. Polydispersity is usually low but can be influenced by trans-esterification reactions and is of concern while making block copolymers. The thermodynamic driving force for the polymerization is 138the relief of ring strain, which helps to overcome the high entropy values (Lactide: δS = 25.0 J mol-1 K-1; ε-CL: δS = 53.9 J mol-1 K-1). 4 ROP performed using metal catalysts that operate through cationic mechanism do not yield high molecular weight polymer desirable for practical applications. Therefore immortal ROP that follows chain-transfer pathway and involves a catalyst and a nucleophile (either part of the catalyst or externally added) that acts simultaneously as the initiator and chain-transfer agent (CTA), was developed as an efficient alternative to the classical living cationic polymerization.}, isbn = {978-149876758-3}, issn = {978-149876757-6}, doi = {10.1201/b19905}, author = {Ambade, A. V.} } @article {43836, title = {Role of base fluid on the thermal conductivity of oleic acid coated magnetite nanofluids}, journal = {COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS}, volume = {529}, year = {2017}, month = {SEP}, chapter = {922-929}, abstract = {
Thermal conductivity enhancement of nanofluids of oleic acid coated magnetite nanoparticles dispersed in four different base fluids (toluene, xylene, mesitylene, kerosene) is studied to understand the role of the solvent (base fluid). From the correlation of the thermophysical properties of the base fluid with the thermal conductivity of the corresponding nanofluid, it is found that the nanofluid with the base fluid of lower intrinsic thermal conductivity and dielectric constant shows relatively larger enhancement in the thermal conductivity. A linear increase in the thermal conductivity with increasing viscosity is observed for all four nanofluids studied. The concentration dependent thermal conductivity studies showed enhancement only above a particular concentration, within the sensitivity of the measurement, and this critical concentration is different for the different nanofluids. The nanofluid with kerosene showed the lowest critical concentration for thermal conductivity enhancement compared to the other nanofluids. The difference between the experimental thermal conductivity and the calculated value using the Maxwell model is found to depend on the critical concentration. By assuming the critical concentration as the zero concentration, it is found that all the studied nanofluids almost follow the Maxwell model of thermal conductivity. Thus, for the dispersions of the same oleic acid coated magnetite nanoparticles, the base fluid affects the critical concentration for thermal conductivity enhancement, probably due to the interfacial effects arising from the surfactant-solvent interactions.
}, keywords = {Brownian-Motion, Enhancement, Heat-transfer Characteristics, Magnetic nanofluids, Maxwell model, Nanoparticles, Particle Migration, Size, stability, Suspension, Temprature, Thermal conductivity, Thermophysical properties, transport mechanism, viscosity}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2017.06.084}, author = {Lenin, Ramanujam and Joy, Pattayil Alias} } @article {44132, title = { Role of localized graphitization on the electrical and magnetic properties of activated carbon}, journal = {Journal of the American Ceramic Society}, volume = {100}, year = {2017}, month = {NOV}, pages = {5151-5161}, type = {Article}, abstract = {The correlation between the magnetic and electrical properties of activated carbon with its microstructure is studied. The changes in the microstructure of activated carbon, after activation at three different temperatures (800 degrees C, 900 degrees C, 1000 degrees C) using different amounts of the activating agent, KOH (KOH/C ratio of 1: 1, 2: 1, 3: 1 and 4: 1), are studied using X-ray diffraction and Raman spectroscopy. The results showed the formation of localized nanographitic domains, along with the changes in the surface area and porosity of the activated carbon. The changes in the microstructure are found to be directly correlated with the magnetic properties and electrical conductivity. The interplay between ordering and disordering parameters in the activated carbon is found to determine the electrical conductivity and magnetic properties.}, doi = {10.1111/jace.15035}, author = {Raj, Kovummal Govind and Joy, Pattayil Alias} } @article {45685, title = {Role of spatial inhomogenity in GPCR dimerisation predicted by receptor association-diffusion models}, journal = {Physical Biology}, volume = {14 }, year = {2017}, month = {JUN}, pages = {036002}, type = {Article}, abstract = {G protein-coupled receptor (GPCR) association is an emerging paradigm with far reaching implications in the regulation of signalling pathways and therapeutic interventions. Recent super resolution microscopy studies have revealed that receptor dimer steady state exhibits sub-second dynamics. In particular the GPCRs, muscarinic acetylcholine receptor M-1 (M1MR) and formyl peptide receptor (FPR), have been demonstrated to exhibit a fast association/dissociation kinetics, independent of ligand binding. In this work, we have developed a spatial kinetic Monte Carlo model to investigate receptor homo-dimerisation at a single receptor resolution. Experimentally measured association/dissociation kinetic parameters and diffusion coefficients were used as inputs to the model. To test the effect of membrane spatial heterogeneity on the simulated steady state, simulations were compared to experimental statistics of dimerisation. In the simplest case the receptors are assumed to be diffusing in a spatially homogeneous environment, while spatial heterogeneity is modelled to result from crowding, membrane micro-domains and cytoskeletal compartmentalisation or {\textquoteright}corrals{\textquoteright}. We show that a simple association-diffusion model is sufficient to reproduce M1MR association statistics, but fails to reproduce FPR statistics despite comparable kinetic constants. A parameter sensitivity analysis is required to reproduce the association statistics of FPR. The model reveals the complex interplay between cytoskeletal components and their influence on receptor association kinetics within the features of the membrane landscape. These results constitute an important step towards understanding the factors modulating GPCR organisation.}, doi = {10.1088/1478-3975/aa6b68}, author = {Deshpande, Sneha A. and Pawar, Aiswarya B. and Dighe, Anish and Athale, Chaitanya A. and Sengupta, Durba} } @article {44109, title = { Role of the pair correlation function in the dynamical transition predicted by mode coupling theory}, journal = {Physical Review Letters}, volume = {119}, year = {2017}, month = {DEC}, type = {Article}, abstract = {In a recent study, we have found that for a large number of systems the configurational entropy at the pair level S-c2, which is primarily determined by the pair correlation function, vanishes at the dynamical transition temperature T-c. Thus, it appears that the information of the transition temperature is embedded in the structure of the liquid. In order to investigate this, we describe the dynamics of the system at the mean field level and, using the concepts of the dynamical density functional theory, show that the dynamical transition temperature depends only on the pair correlation function. Thus, this theory is similar in spirit to the microscopic mode coupling theory (MCT). However, unlike microscopic MCT, which predicts a very high transition temperature, the present theory predicts a transition temperature that is similar to T-c. This implies that the information of the dynamical transition temperature is embedded in the pair correlation function.}, doi = {10.1103/PhysRevLett.119.265502}, author = {Nandi, Manoj Kumar and Banerjee, Atreyee and Dasgupta, Chandan and Bhattacharyya, Sarika Maitra} } @article {43787, title = {Room-temperature direct arylation of anilides under external oxidant-free conditions using CO2-Derived Dimethyl Carbonate (DMC) as a {\textquoteright}green{\textquoteright} solvent}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {AUG}, pages = {7565-7569}, type = {Article}, abstract = {
Here, an efficient catalytic protocol for direct C-H bond arylation of anilides under base- and external oxidant-free conditions is reported. This reaction proceeds readily at room temperature using CO2-derived dimethyl carbonate (DMC) as a green solvent under visible-light dual catalysis. Later, application of our strategy for the gram-scale synthesis of Boscalid has been successfully shown. An unprecedented unsymmetrical bis-arylation of anilides is also demonstrated under mild, redox-neutral conditions.
}, doi = {10.1002/slct.201701108}, author = {Sahoo, Manoj K. and Rana, Jagannath and Subaramanian, Murugan and Balaraman, Ekambaram} } @article {45690, title = {Route to benzimidazol-2-ones via decarbonylative ring contraction of quinoxalinediones: application to the synthesis of flibanserin, A drug for treating hypoactive sexual desire disorder in women and marine natural product hunanamycin analogue}, journal = {ACS Omega}, volume = { 2 }, year = {2017}, month = {AUG}, pages = {5137-5141}, type = {Article}, abstract = {
A simple and practical method to access a variety of benzimidazol-2-ones is reported here. A series of N-alkylsubstituted benzimidazol-2-ones were synthesized by decarbonylative ring contraction starting from corresponding quinoxalinediones for the first time. The utility of the method has been demonstrated by synthesizing recently approved controversial drug flibanserin (Addyi) and a urea analogue of marine antibiotic natural product hunanamycin-A.
}, doi = {10.1021/acsomega.7b00819}, author = {Shingare, Rahul D. and Kulkarni, Akshay S. and Sutar, Revannath L. and Reddy, D. Srinivasa} } @article {45708, title = {(R-X-R)(4)-Motif peptides containing conformationally constrained cyclohexane-derived spacers: effect on cellular uptake}, journal = {ChemMedChem}, volume = {12}, year = {2017}, month = {NOV }, pages = {1743-1747}, type = {Article}, abstract = {
Arginine-rich peptides having the (R-X-R) n motif are among the most effective cell-penetrating peptides (CPPs). Herein we report a several-fold increase in the efficacy of such CPPs if the linear flexible spacer (-X-) in the (R-X-R) motif is replaced by constrained cyclic 1,4-substituted-cyclohexane-derived spacers. Internalization of these oligomers in mammalian cell lines was found to be an energy-dependent process. Incorporation of these constrained, non-proteinogenic amino acid spacers in the CPPs is shown to enhance their proteolytic stability.
}, keywords = {(R-X-R)-motif, cell-penetrating peptides, cellular uptake, protease stability}, issn = {1860-7179}, doi = {10.1002/cmdc.201700498}, author = {Bhosle, Govind S. and Fernandes, Moneesha} } @article {43919, title = {Salts and cocrystals of furosemide with pyridines: differences in π-Stacking and color polymorphism}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {JUN}, pages = {3071{\textendash}3087}, type = {Article}, abstract = {
Furosemide (FS), a loop diuretic drug that has a potential to exhibit polymorphism, produced color polymorphs of orange (form 1I) and yellow (form 1II) concomitantly with coformer 1, 2-bis(4-pyridyl)ethylene. However, cocrystallization of FS with other pyridines yielded colorless salts (2 and 4) and cocrystals (3 and 5). The significant color difference between the two polymorphs (forms 1I and 1II) could be attributed to the dissimilar π-stacking patterns between the two components and differences in their highest occupied molecular orbital-lowest unoccupied molecular orbital gap. The molecular packing of form 1I and 2 is very similar, but 2 is colorless due to lack of extended π-conjugation.
}, doi = {10.1021/acs.cgd.6b01868}, author = {Sangtani, Ekta and Mandal, Suman Kumar and Sreelakshmi, A. S. and Munshi, Parthapratim and Gonnade, Rajesh G.} } @article {43934, title = {Scalable metabolite supplementation strategy against antibiotic resistant pathogen Chromobacterium violaceum induced by NAD(+)/NADH(+) imbalanceA scalable metabolite supplementation strategy against antibiotic resistant pathogen Chromobacterium violaceu}, journal = {BMC Syst Biol. }, volume = {11}, year = {2017}, month = {APR}, abstract = {
BACKGROUND: The leading edge of the global problem of antibiotic resistance necessitates novel therapeutic strategies. This study develops a novel systems biology driven approach for killing antibiotic resistant pathogens using benign metabolites. RESULTS: Controlled laboratory evolutions established chloramphenicol and streptomycin resistant pathogens of Chromobacterium. These resistant pathogens showed higher growth rates and required higher lethal doses of antibiotic. Growth and viability testing identified malate, maleate, succinate, pyruvate and oxoadipate as resensitising agents for antibiotic therapy. Resistant genes were catalogued through whole genome sequencing. Intracellular metabolomic profiling identified violacein as a potential biomarker for resistance. The temporal variance of metabolites captured the linearized dynamics around the steady state and correlated to growth rate. A constraints-based flux balance model of the core metabolism was used to predict the metabolic basis of antibiotic susceptibility and resistance. CONCLUSIONS: The model predicts electron imbalance and skewed NAD/NADH ratios as a result of antibiotics - chloramphenicol and streptomycin. The resistant pathogen rewired its metabolic networks to compensate for disruption of redox homeostasis. We foresee the utility of such scalable workflows in identifying metabolites for clinical isolates as inevitable solutions to mitigate antibiotic resistance.
}, keywords = {Antibiotic resistance; Flux balance analysis; Flux variability analysis; Metabolism; Metabolomic; NAD; NADH; Redox homeostasis}, doi = {10.1186/s12918-017-0427-z}, author = {Banerjee, Deepanwita and Parmar, Dharmeshkumar and Bhattacharya, Nivedita and Ghanate, Avinash D. and Panchagnula, Venkateswarlu and Raghunathan, Anu} } @article {43726, title = {Secondary interactions arrest the hemiaminal intermediate to invert the modus operandi of schiff base reaction: a route to benzoxazinones}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {APR}, pages = {4342-4351}, type = {Article}, abstract = {Discovered by Hugo Schiff, condensation between amine and aldehyde represents one of the most ubiquitous reactions in chemistry. This classical reaction is widely used to manufacture pharmaceuticals and fine chemicals. However, the rapid and reversible formation of Schiff base prohibits formation of alternative products, of which benzoxazinones are an important class. Therefore, manipulating the reactivity of two partners to invert the course of this reaction is an elusive target. Presented here is a synthetic strategy that regulates the sequence of Schiff base reaction via weak secondary interactions. Guided by the computational models, reaction between 2,3,4,5,6-pentafluoro-benzaldehyde with 2-amino-6methylbenzoic acid revealed quantitative (99\%) formation of 5-methyl-2-(perfluoropheny01,2-dihydro-4H-benzo[d][1,3]oxazin-4-one (15). Electron donating and electron withdrawing ortho-substituents on 2-aminobenzoic acid resulted in the production of benzoxazinones 936. The mode of action was tracked using low temperature NMR, IN vis spectroscopy, and isotopic (O-18) labeling experiments. These spectroscopic mechanistic investigations revealed that the hemiaminal intermediate is arrested by the hydrogen-bonding motif to yield benzoxazinone. Thus, the mechanistic investigations and DFT calculations categorically rule out the possibility of in situ imine formation followed by ring-closing, but support instead hydrogen-bond assisted ring-closing to prodrugs. This unprecedented reaction represents an interesting and competitive alternative to metal catalyzed and classical methods of preparing benzoxazinone.}, doi = {10.1021/acs.joc.7b00352}, author = {Patel, Ketan and Deshmukh, Satej S. and Bodkhe, Dnyaneshwar and Mane, Manoj and Vanka, Kumar and Shinde, Dinesh and Rajamohanan, Pattuparambil R. and Nandi, Shyamapada and Vaidhyanathan, Ramanathan and Chikkali, Samir H.} } @article {43652, title = {Selection of reference genes for quantitative real-time RT-PCR assays in different morphological forms of dimorphic zygomycetous fungus Benjaminiella poitrasii}, journal = {Plos One}, volume = {12}, year = {2017}, month = {JUN}, pages = {Article Number: e0179454}, abstract = {
Benjaminiella poitrasii, a dimorphic non-pathogenic zygomycetous fungus, exhibits a morphological yeast (Y) to hypha (H) reversible transition in the vegetative phase, sporangiospores (S) in the asexual phase and zygospores (Z) in the sexual phase. To study the gene expression across these diverse morphological forms, suitable reference genes are required. In the present study, 13 genes viz. ACT, 18S rRNA, eEF1a, eEF-Tu, eIF-1A, Tuba, Tub-b, Ubc, GAPDH, Try, WS-21, NADGDH and NADPGDH were evaluated for their potential as a reference, particularly for studying gene expression during the Y-H reversible transition and also for other asexual and sexual life stages of B. poitrasii. Analysis of RT-qPCR data using geNorm, normFinder and BestKeeper software revealed that genes such as Ubc, 18S rRNA and WS-21 were expressed at constant levels in each given subset of RNA samples from all the morphological phases of B. poitrasii. Therefore, these reference genes can be used to elucidate the role of morpho-genes in B. poitrasii. Further, use of the two most stably expressed genes (Ubc and WS-21) to normalize the expression of the ornithine decarboxylase gene (Bpodc) in different morphological forms of B. poitrasii, generated more reliable results, indicating that our selection of reference genes was appropriate.
}, doi = {10.1371/journal.pone.0179454}, author = {Pathan, Ejaj K. and Ghormade, Vandana and Deshpande, Mukund V.} } @article {43966, title = {Selective and reusable Pt-WO x /Al 2 O 3 catalyst for deoxygenation of fatty acids and their esters to diesel-range hydrocarbons}, journal = {Catalysis Today}, volume = {309}, year = {2017}, month = {JUN}, pages = {219-226}, type = {Article}, abstract = {Tungsten oxide promoted platinum catalysts (Pt-WOx/Al2O3) of varying composition were prepared by wet impregnation method and reduced in hydrogen atmosphere. X-ray powder diffraction and photoelectron spectroscopy revealed that Pt is completely reduced to metallic state while tungsten is in +6 and +5 oxidation state. Pt crystallite and particle sizes increased (from 1.2 to 1.4 nm and 2.5 to 3 nm, respectively) in presence of WOx (CO-chemisorption and transmission electron microscopy). Tungsten addition augmented strong acid sites. It enhanced significantly the catalytic activity of Pt/Al2O3 in deoxygenation of fatty acids and their methyl esters. Tungsten altered the reaction pathway from decarbonylation/decarboxylation to hydrodeoxygenation. A catalyst with 4 wt\% Pt and 8 wt\% W exhibited high catalytic performance. Complete conversion of oleic acid and octadecane product selectivity in the range 67.1 - 80.8\% was obtained. Pt-WOx/Al2O3 is a stable and reusable fatty acid deoxygenation catalyst.}, keywords = {biofuels, Deoxygenation, Diesel-range hydrocarbons, Fatty acids, Pt catalyst}, issn = {0920-5861}, doi = {10.1016/j.cattod.2017.06.030}, author = {Janampelli, Sagar and Srinivas, Darbha} } @article {43997, title = {Selective C-H bond oxidation catalyzed by the Fe-bTAML complex: mechanistic implications}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {SEP}, pages = {10852-10860}, type = {Journal Article}, abstract = {Nonheme iron complexes bearing tetradentate N-atom-donor ligands with cis labile sites show great promise for chemoselective aliphatic C-H hydroxylation. However, several challenges still limit their widespread application. We report a mechanism-guided development of a peroxidase mimicking iron complex based on the bTAML macrocyclic ligand framework (Fe-bTAML: biuret-modified tetraamido macrocyclic ligand) as a catalyst to perform selective oxidation of unactivated 3{\textdegree} bonds with unprecedented regioselectivity (3{\textdegree}:2{\textdegree} of 110:1 for adamantane oxidation), high stereoretention (99\%), and turnover numbers (TONs) up to 300 using mCPBA as the oxidant. Ligand decomposition pathways involving acid-induced demetalation were identified, and this led to the development of more robust and efficient Fe-bTAML complexes that catalyzed chemoselective C-H oxidation. Mechanistic studies, which include correlation of the product formed with the FeV(O) reactive intermediates generated during the reaction, indicate that the major pathway involves the cleavage of C-H bonds by FeV(O). When these oxidations were performed in the presence of air, the yield of the oxidized product doubled, but the stereoretention remained unchanged. On the basis of 18O labeling and other mechanistic studies, we propose a mechanism that involves the dual activation of mCPBA and O2 by Fe-bTAML, leading to formation of the FeV(O) intermediate. This high-valent iron oxo remains the active intermediate for most of the reaction, resulting in high regio- and stereoselectivity during product formation. }, doi = {10.1021/acs.inorgchem.7b00453}, author = {Ghosh, M.}, editor = {Pattanayak, S.} } @article {44144, title = {Selective isolation and eradication of E. coli associated with urinary tract infections using anti-fimbrial modified magnetic reduced graphene oxide nanoheaters}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {OCT}, pages = { 8133-8142}, type = {Article}, abstract = {The fast and efficient elimination of pathogenic bacteria from water, food or biological samples such as blood remains a challenging task. Magnetic isolation of bacteria from complex media holds particular promise for water disinfection and other biotechnological applications employing bacteria. When it comes to infectious diseases such as urinary tract infections, the selective removal of the pathogenic species in complex media such as human serum is also of importance. This issue can only be accomplished by adding pathogen specific targeting sites onto the magnetic nanostructures. In this work, we investigate the potential of 2-nitrodopamine modified magnetic particles anchored on reduced graphene oxide (rGO) nanocomposites for rapid capture and efficient elimination of E. coli associated with urinary tract infections (UTIs) from water and serum samples. An optimized magnetic nanocarrier achieves a 99.9\% capture efficiency even at E. coli concentrations of 1 x 10(1) cfu mL(-1) in 30 min. In addition, functionalization of the nanostructures with poly(ethylene glycol) modified pyrene units and anti-fimbrial E. coli antibodies allowed specific elimination of E. coli UTI89 from serum samples. Irradiation of the E. coli loaded nanocomposite with a near-infrared laser results in the total ablation of the captured pathogens. This method can be flexibly modified for any other pathogenic bacteria, depending on the antibodies used, and might be an interesting alternative material for a magnetic-based body fluid purification approach.}, doi = {10.1039/c7tb01890h}, author = {Halouane, Fatima and Jijie, Roxana and Meziane, Dalila and Li, Chengnan and Singh, Santosh K. and Bouckaert, Julie and Jurazek, Jean and Kurungot, Sreekumar and Barras, Alexandre and Li, Musen and Boukherroub, Rabah and Szunerits, Sabine} } @article {43995, title = {Selective molecular separation by interfacially crystallized covalent organic framework thin films}, journal = {Journal of the American Chemical Society}, volume = {139}, year = {2017}, month = {SEP}, pages = {13083-13091}, type = {Journal Article}, abstract = {Exponential interest in the field of covalent organic frameworks (COFs) stems from the direct correlation between their modular design principle and various interesting properties. However, existing synthetic approaches to realize this goal mainly result in insoluble and unprocessable powders, which severely restrict their widespread applicability. Therefore, developing a methodology for easy fabrication of these materials remains an alluring goal and a much desired objective. Herein, we have demonstrated a bottom-up interfacial crystallization strategy to fabricate these microcrystalline powders as large-scale thin films under ambient conditions. This unique design principle exploits liquid-liquid interface as a platform, allowing simultaneous control over crystallization and morphology of the framework structure. The thin films are grown without any support in free-standing form and can be transferred onto any desirable substrate. The porous (with Tp-Bpy showing highest SBET of 1a151 m2 g-1) and crystalline thin films, having high chemical as well as thermal stability, also hold the merit to tune the thickness as low as sub-100 nm. These nanostructured thin COF films demonstrate remarkable solvent-permeance and solute-rejection performance. A prominent instance is the Tp-Bpy thin film, which displays an unprecedented acetonitrile permeance of 339 L m-2 h-1 bar-1.}, doi = { 10.1021/jacs.7b06640}, author = {Dey, K. and Das, A and Mukherjee, R. and Kharul, U. K. and Banerjee, R.}, editor = {Pal, M.} } @article {45656, title = {Selective molecular sieving in self-Standing porous covalent-Organic-framework membranes}, journal = {Advanced Materials}, volume = {2}, year = {2017}, month = {JAN}, type = {Article}, abstract = {Self-standing, flexible, continuous, and crack-free covalent-organic-framework membranes (COMs) are fabricated via a simple, scalable, and highly cost-effective methodology. The COMs show long-term durability, recyclability, and retain their structural integrity in water, organic solvents, and mineral acids. COMs are successfully used in challenging separation applications and recovery of valuable active pharmaceutical ingredients from organic solvents.}, doi = {10.1002/adma.201603945}, author = {Kandambeth, S. and Biswal, B. P. and Chaudhari, H. D. and Rout, K. C. and Kunjattu, H. S. and Mitra, S. and Karak, S. and Das, A. and Mukherjee, R. and Kharul, U. K. and Banerjee, R.} } @article {45741, title = {Selective self-etherification of 5-(hydroxymethyl) furfural over Sn-Mont catalyst}, journal = {Catalysis Communications}, volume = {88}, year = {2017}, month = {JAN}, pages = {77-80}, type = {Article}, abstract = {Sn-Mont was found to be a highly efficient catalyst for self-etherification of 5-(hydroxymethyl)furfural (HMF) to give 5,5{\textquoteright}-oxy(bis-methylene)-2-furaldehyde (OBMF). L-B acidity of Sn(OH)(4) species enwrapped into the layers of montmorillonite was responsible for the excellent activity of Sn-Mont catalyst giving almost complete conversion of HMF with 98\% selectivity to OBMF. Aprotic non-polar, dichloroethane was most effective solvent due to the facile formation of oxonium ion mediating etherification reaction. The catalyst showed suitable recyclability confirming its appreciable hydrolytic stability in water, and retention of its acidity. }, doi = { 10.1016/j.catcom.2016.09.034}, author = {Shinde, S and Rode, C} } @article {45762, title = {Selective synthesis of WO3 and W18O49 nanostructures: ligand-free pH-dependent morphology-controlled self-assembly of hierarchical architectures from 1D nanostructure and sunlight-driven photocatalytic degradation}, journal = {CrystEngComm}, volume = {19}, year = {2017}, month = {APR }, pages = {2096-2105}, type = {Article}, abstract = {
In this study, simple inorganic routes for the synthesis of WO3 and W18O49 nanostructures with variable size and self-assembly are reported. The morphologies and formation of stoichiometric WO3 as well as substoichiometric W18O49 single-crystal phase could be controlled by changing the pH of the reactions medium. This synthesis strategy has the advantages that it is one step, aqueous medium-based, and requires no surfactant or stabilizing agent. Furthermore, it also enables the self-assembly of 1D nanorods of WO3 and W18O49 into hierarchical nanostructures as nanorods bundles, cocoons, urchins, fishbones, etc. This synthesis method may open up a new way to control and tune the stoichiometric and substoichiometric composition of metal oxide nanostructures. Efficient sunlight-driven photocatalytic performance to degrade Rhodamine B (100 mL; 40 mg L-1.) with these tungsten oxide nanostructures was also demonstrated.
}, issn = {1466-8033}, doi = {10.1039/c6ce02518h}, author = {Shirke, Yogita Manikrao and Mukherjee, Shatabdi Porel} } @article {42660, title = {Self - assemblies of bolaamphiphilic molecules}, journal = {Chemical Record}, volume = {17}, year = {2017}, month = {NOV}, pages = {1-15}, type = {Article}, chapter = {597-610}, abstract = {
The current buzzword in science and technology is self-assembly and molecular self-assembly is one of the most prominent fields as far as research in chemical and biological sciences is concerned. Generally, self-assembly of molecules occurs through weak non-covalent interactions like hydrogen bonding, π{\textendash}π stacking, hydrophobic effects, etc. Inspired by many natural systems consisting of self-assembled structures, scientists have been trying to understand their formation and mimic such processes in the laboratory to create functional {\textquotedblleft}smart{\textquotedblright} materials, which respond to temperature, light, pH, electromagnetic field, mechanical stress, and/or chemical stimuli. These responses are usually manifested as remarkable changes from the molecular (e. g., conformational state, hierarchical order) to the macroscopic level (e. g., shape, surface properties). Many molecules such as peptides, viruses, and surfactants are known to self-assemble into different structures. Among them, glycolipids are the new entries in the area of molecules that are being investigated for their self-assembly characteristics. Among the different classes of glycolipids like rhamnolipids and trehalose lipids, owing to their biological preparations and their structural novelty, sophorolipids (SLs) are evoking greater interest among researchers. Sophorolipids are a class of asymmetric bolas bearing COOH groups at one end and sophorose (dimeric glucose linked by an unusual β(1{\textrightarrow}2) linkage). The extreme membrane stability of Archaea, attributed to the membrane-spanning bolas (tetraether glycolipids), has inspired chemists to unravel the molecular designs that underpin the self-assembly of bolaamphiphilic molecules. Apart from these self-assembled structures, bolaamphiphiles find applications in many fields such as drug delivery, membrane mimicking, siRNA therapies, etc. The first part of this Personal Account presents some possible self-assembled structures of bolaamphiphiles and their mechanism of formation. The later part covers our work on one of the typical bolaamphiphiles known as sophorolipids.
}, keywords = {Bolaamphiphiles; gels; self-assembly; sophorolipids; vesicles}, issn = {1527-8999}, doi = {10.1002/tcr.201600085}, author = {Dhasaiyan, Prabhu and Bhagavatula L. V. Prasad} } @article {44128, title = {Self-assembled spheres, flowers, and fibers from the same backbone and similar side chains}, journal = {Langmuir}, volume = {33}, year = {2017}, month = {NOV}, pages = {13401-13406}, type = {Article}, abstract = {Rylene imides (Ms) self-assemble into various nanostructures. Often, the synthesis of unsymmetrical RIs (URIs) is required to achieve nanostructures. However, the synthesis of URIs is nontrivial. Thus, a structurally similar alternative is desirable. iso-Indigo (i-indigo) has a pi core and lactam rings that are structurally similar to the RIs. Unsymmetrical iso-indigo (i-indigo) can be easily synthesized by condensing oxindole and isatin. We have synthesized a series of unsymmetrical i-indigo molecules. In these molecules, the pi-pi interaction, hydrogen bonding, and van der Waals interactions are in operation. Because of these, the molecules self-assemble into spheres, fibers, and dahlia flower morphologies. If the hydrogen bonding interaction is disrupted, then all of them form fibers. Control experiments indicate that the complete absence of hydrogen bonding is deleterious to self-assembly. We also show that the lower analogs of i-indigo are not sufficient to form self-assembled nanostructures.}, doi = {10.1021/acs.langmuir.7b02728}, author = {Singh, Anup Kumar and Krishnamoorthy, Kothandam} } @article {44406, title = {Self-assembly of fluorinated sugar amino acid derived alpha,gamma-cyclic peptides into transmembrane anion transport}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {NOV}, pages = {5948-5951}, abstract = {Syntheses of fluorinated sugar amino acid derived alpha,gamma-cyclic tetra- and hexapeptides are reported. The IR, NMR, ESI-MS, CD, and molecular modeling studies of cyclic tetra- and hexapeptides showed C-2 and C-3 symmetric flat oval- and triangular-ring shaped, beta-strand conformations, respectively, which appear to self assemble into nanotubes. The alpha,gamma-cyclic hexapeptide (EC50 = 2.14 mu M) is found to be a more efficient ion transporter than alpha,gamma-cyclic tetrapeptide (EC50 = 14.75 mu M). The anion selectivity and recognition of alpha,gamma-cyclic hexapeptide with NO3- ion is investigated.}, doi = {10.1021/acs.orglett.7b02942}, author = {Burade, Sachin S. and Saha, Tanmoy and Bhuma, Naresh and Kumbhar, Navanath and Kotmale, Amol and Rajamohanan, Pattuparambil R. and Gonnade, Rajesh G. and Talukdar, Pinaki and Dhavale, Dilip D.} } @article {44143, title = { Self-assembly of P-chiral supramolecular phosphines on rhodium and direct evidence for Rh-catalyst-substrate interactions}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {OCT}, pages = {13966-13973}, type = {Article}, abstract = {Supramolecular phosphine-derived catalysts are known to provide high enantioselectivity in asymmetric transformations such as hydrogenation, but direct evidence unravelling the role of secondary interactions is largely missing. As a representative case study, the role of hydrogen bonding in asymmetric hydrogenation catalysed by p-chiral supramolecular phosphines is investigated. To establish the nature of hydrogen bonding in the self-assembled Rh-complex, NMR experiments were performed at different concentrations and temperatures. It was found that with increasing concentration of 1-(3-(phenyl(o-tolyl)phosphanyl) phenyl) urea ligand (L1), the NH and NH2 peaks shift downfield. This indicated the presence of intermolecular hydrogen bonding in L1. This observation was further supported by variable temperature NMR experiments wherein, with decreasing temperature, the NH and NH2 resonances of L1 shifted downfield. The downfield shift once again suggests the existence of intermolecular hydrogen bonding in L1. In contrast, the chemical shift of NH and NH2 signals did not significantly change with increasing concentration of the self-assembled Rh-complex (C1). This observation suggested the existence of intramolecular hydrogen bonding in the self-assembled complex. The concentration experiment was further corroborated by variable temperature NMR experiments. No change in the chemical shift of NH2 resonance could be detected with decreasing temperature, which corroborates the existence of intramolecular hydrogen bonding in C1. In a stoichiometric experiment, C1 was treated with hydrogenation substrate N-acetyldehydrophenylalanine (S2) and the proton NMR was recorded. The NH2 protons of the selfassembled Rh-complex were found to shift downfield, as compared to untreated parent C1. These observations indicated that there is a hydrogen bonding interaction between the Rh-complex and the substrate. To further attest this hypothesis, NH and NH2 groups were exchanged with ND and ND2 groups, respectively, and a self-assembled Rh-complex was prepared using the deuterated supramolecular phosphine ligand L1.D. When the deuterated Rh-complex (C1.D) was treated with substrate S2, the ND and ND2 resonances were found to shift downfield. Thus, the labelling experiment further authenticated the existence of catalyst-substrate interactions. The presence of this catalyst-substrate interaction could be one of the parameters that leads to high enantiomeric excess in the asymmetric hydrogenation reaction of S2.}, doi = {10.1039/c7dt02923c}, author = {Koshti, Vijay S. and Sen, Anirban and Shinde, Dinesh and Chikkali, Samir H.} } @article { ISI:000371453700057, title = {Self-exfoliated guanidinium-based ionic covalent organic nanosheets (iCONs)}, journal = {Journal of the American Chemical Society}, volume = {138}, number = {8}, year = {2017}, month = {MAR}, pages = {2823-2828}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {
Covalent organic nanosheets (CONs) have emerged as functional two-dimensional materials for versatile applications. Although pi-pi stacking between layers, hydrolytic instability, possible restacking prevents their exfoliation on to few thin layered CONs from crystalline porous polymers. We anticipated rational designing of a structure by intrinsic ionic linker could be the solution to produce self-exfoliated CONs without external stimuli. In an attempt to address this issue, we have synthesized three self-exfoliated guanidinium halide based ionic covalent organic nanosheets (iCONs) with antimicrobial property. Self-exfoliation phenomenon has been supported by molecular dynamics (MD) simulation as well. Intrinsic ionic guanidinium unit plays the pivotal role for both self-exfoliation and antibacterial property against both Gram-positive and Gram-negative bacteria. Using such iCONs, we have devised a Mixed matrix membrane which could be useful for antimicrobial coatings with plausible medical benefits.
}, issn = {0002-7863}, doi = {10.1021/jacs.5b13533}, author = {Mitra, Shouvik and Kandambeth, Sharath and Biswal, Bishnu P. and Khayum, Abdul M. and Choudhury, Chandan Kumar and Mehta, Mihir R. and Kaur, Gagandeep and Banerjee, Subhrashis and Prabhune, Asmita and Verma, Sandeep and Roy, Sudip and Kharul, Ulhas K. and Banerjee, Rahul} } @article {43784, title = {Significance of optimal N-doping in mesoporous carbon framework to achieve high specific capacitance}, journal = {Applied Surface Science}, volume = {418}, year = {2017}, month = {OCT}, pages = {40-48}, type = {Article}, abstract = {Nitrogen-doped mesoporous carbon (NMC) has been synthesized by sol-gel process using a mixture of phenol and formaldehyde as source of carbon, and melamine as source of nitrogen. The Ludox-AS40 (40 wt\% SiO2) is employed, for the first time, as hard template to obtain polymeric gel by prolonged heat treatment at 80 degrees C. The wt\% of nitrogen is tuned by varying the weight ratio of melamine to phenol. Stable mesoporous carbon frameworks are obtained by pyrolysis of the dry gel at 800 degrees C in nitrogen atmosphere and treated with alkali to remove silica. One of the carbon framework samples has 11 wt\% nitrogen doping and shows pore volume of 0.5 cm(3) g(-1) and surface area 609 m(2) g(-1). The other carbon frame work sample has 6 wt\% nitrogen doping and shows higher pore volume of 1.1 cm(3) g(-1) and surface area 736 m(2) g(-1). The later sample exhibits highest electrochemical capacitance of 196 F g(-1) at 0.5 A g(-1) while the former shows only 146 F g(-1) at 0.5 A g(-1). However, both the NMC electrodes show good cyclic performance (91\% of the initial capacitance after 1000 cycles) in an aqueous KOH electrolyte. This study demonstrates that there is an optimum level of nitrogen doping required to keep the meso-structure of carbon network intact, simultaneously maintaining high surface area and sufficient electrical conductivity for electrochemical applications. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apsusc.2016.11.181}, author = {Sahoo, Malaya K. and Gogoi, Pranjal and Rajeshkhanna, G. and Chilukuri, Satyanarayana V. and Rao, G. Ranga} } @article {44035, title = {Silk degumming and utilization of silk sericin by hydrolysis using alkaline protease from beauveria Sp. (MTCC 5184): a green approach}, journal = {Journal of Natural Fibers}, volume = {15}, year = {2017}, month = {JUL}, pages = {1-11}, type = {Article}, abstract = {Conventionally, degumming is carried out at 90{\textdegree}C--110{\textdegree}C temperature by boiling the raw silk with Marseilles soap and sodium bicarbonate which eventually requires a lot of water and energy. In this study, degumming of Chinese bivoltine raw silk fibres with alkaline protease produced by Beauveria sp. (MTCC 5184) is studied. Complete degumming was obtained in 45 min with 75 units of enzyme per gram of silk. Degumming was found to be optimal at 50{\textdegree}C and pH 9.0. Scanning electron micrographs showed that the sericin deposits were removed and the obtained fibres were clean, separated, had smooth feel with shine as compared to untreated fibres. Sericin isolated from silk cocoon (by-product which goes waste) was hydrolyzed with the same alkaline protease obtained from Beauveria sp. to get small molecular weight peptides. These peptides can be utilized further for cosmetic, pharmaceutical, and various industrial applications.}, keywords = {Alkaline Protease, bivoltine, degumming, Silk, weight loss}, issn = {1544-0478}, doi = {10.1080/15440478.2017.1330718}, author = {More, Snehal V. and Chavan, Sakalya and Prabhune, Asmita Ashutosh} } @article {44571, title = {Silver sequestration of halides for the activation of Pd(OAc) 2 catalyzed Mizoroki-Heck reaction of 1,1 and 1,2 - Disubstituted alkenes: Ag Sequestration for Pd catalyzed Heck reaction- disubstituted alkenes}, journal = {Applied Organometallic Chemistry}, volume = {32}, year = {2017}, month = {NOV}, pages = {e4159}, abstract = {A ligand free catalytic system consisting of Pd(OAc)2 (cat) and stoichiometric quantities of silver salts, AgOAc or AgBF4, exhibit high efficiency in the Mizoroki-Heck arylation, transforming aryl iodides and 1,1 as well as 1,2 disubstituted alkenes into 1,1,2 {\textendash} trisubstituted aryl alkenes in excellent yields in very short reaction times.}, keywords = {1, 1-disubstituted alkenes, 2-disubstituted alkenes, AgBF4, AgOAc, Mizoroki-Heck reaction}, issn = {0268-2605}, doi = {10.1002/aoc.4159}, author = {Bangar, Pronnoy G. and Jawalkar, Priyanka R. and Dumbre, Swapnil and Patil, Dharmaraj and Iyer, Suresh} } @article {43894, title = {Simple cobalt(II) chloride catalyzed N-alkylation of amines with alcohols}, journal = {Synthesis-Stuttgart }, volume = {49}, year = {2017}, month = {SEP}, pages = {3957-3961}, type = {Journal Article}, chapter = {3957-3961}, abstract = {
A facile cobalt-catalyzed N-alkylation of amines with alcohols using inexpensive, commercially available CoCl2 center dot 6H(2)O is reported. Employing this readily available cobalt catalyst, a variety of amines with wide functional group tolerance were selectively alkylated under benign conditions.
}, keywords = {(Hetero)Aromatic Amines, Alcohols, Amination, amines, Anilines, Aromatic-amines, Cobalt Catalysis, Dehydrogenation Borrowing Hydrogen, Efficient Catalysts, Hydrogen Autotransfer, Iridium, N-alkylation, Pincer-complex, Secondary Alcohols, Selective Alkylation}, issn = {0039-7881}, doi = {10.1055/s-0036-1589064}, author = {Midya, Siba P. and Mondal, Akash and Begum, Ayesha and Balaraman, Ekambaram} } @article {45723, title = {Single cell fabrication towards the realistic evaluation of a CNT-strung ZIF-derived electrocatalyst as a cathode material in alkaline fuel cells and metal-air batteries}, journal = {ChemElectroChem}, volume = {4}, year = {2017}, month = {NOV}, pages = {2928-2933}, type = {Article}, abstract = {
The development of an electrocatalyst possessing all the vital requisites of an ideal electrode material, such as high porosity, high conductivity, and high intrinsic electrochemical activity, holds a decisive key in determining the activity of the triplephase boundary in many energy devices like fuel cells and metal-air battery systems. In the present work, highly porous cobalt-based ZIFs are strung along the highly conducive CNT backbone by using a simple one-pot technique at room temperature, which is then utilized to derive a porous, corrosion-resistant, Co nanoparticle-embedded electrocatalyst. Herein, for the first time, the single cell performance of the Co-ZIF-67-derived electrocatalyst has been evaluated by fabricating membrane electrode assemblies of alkaline exchange membrane fuel cell (AEMFC) and zinc-air battery (ZAB) systems. A maximum power density of 296 mW/cm(2) (vs. 317 mW/cm(2) for 40 wt.\% Pt/C) and 60 mW/cm(2) (vs. 64 mW/cm(2) for 40 wt.\% Pt/C) in the single cells of ZAB and AEMFC systems, respectively, establishes the practical proficiency of the homemade electrocatalyst for cathode applications during realistic system-level validations.
}, keywords = {Batteries, Carbon nanotubes, Composite materials, fuel cells, metal-organic frameworks}, issn = {2196-0216}, doi = {10.1002/celc.201700562}, author = {Aiyappa, Harshitha Barike and Bhange, Siddheshwar N. and Sivasankaran, Vijitha P. and Kurungot, Sreekumar} } @article {43863, title = {Size reduction of bulk alumina for mass production of fluorescent nanoalumina by fungus humicola sp.}, journal = {Journal of Cluster Science}, volume = {28}, year = {2017}, month = {JUL}, pages = {1981-1993}, type = {Article}, abstract = {In recent years, nanomaterials have made their way into hundreds of biomedical, life-sciences and technological applications. One such nanomaterial of extreme importance is nanoalumina (Al2O3 nanoparticles). This nanomaterial is an epitome of diversity with applications exhibited in the fields of catalysis, cosmetics, theranostics, energy generation, biosensors, drug-delivery, tumor-regression, etc. However, problems persist in terms of biocompatibility, cost-effectiveness, reproducibility and mass-production of nanoalumina by the presently existent physical, chemical and biological methodologies. Herein, we for the first time are presenting a top-down biofabrication method by which size reduction of commercial bulk alumina/aluminum oxide (5 A mu m) into nanoalumina (5-25 nm) is carried out by a thermophilic fungus Humicola sp. within 96 h of reaction at just 50 A degrees C. The so-formed nanoalumina is highly stable, water dispersible, fluorescent and natural protein capped; characterization engaged standard techniques. These nanoparticles exhibit anti-bacterial properties against Gram-positive Bacillus subtilis strain and may serve as broad spectrum bactericidal agents. We believe that our novel top-down approach may be extensively used in the facile, inexpensive, eco-friendly and reliable fabrication of abundant quantities of nanomaterials of different chemical compositions, sizes and shapes with better control and predictability over the properties as derived from their substrates. The mechanistic aspect of said protocol is underway.}, doi = {10.1007/s10876-017-1195-z}, author = {Moeez, Sana and Siddiqui, Ejaz Ahmad and Khan, Shadab and Ahmad, Absar} } @article {42924, title = {Solid base catalyzed depolymerization of lignin into low molecular weight products}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {FEB}, pages = {778-788}, type = {Article}, abstract = {For the biorefinery concept to become commercially viable, it is essential to add value to lignin which is the only naturally available aromatic polymer. A one-pot depolymerization of lignin into reactive substituted phenolic compounds (platform chemicals and octane enhancers) with low molecular weight is of paramount importance and for that, the development of an environmentally benign method is necessary. Herein we report the depolymerization of high molecular weight lignin (60 000 Da) over various recyclable solid base catalysts at 250 degrees C over 1 h. Under these conditions, most of the zeolitic catalysts (NaX, NaY, NaP) showed very high yields of low molecular weight products compared to other catalysts (MgO, CaO, HT, HAP). But in particular, over NaX the maximum yield (51\%) of low molecular weight products was achieved. Identification and quantification of products was done by GC, GC-MS, HPLC, LC-MS, CHNS, NMR and FT-IR techniques. The revelation of retention of most of the functional groups on products present in lignin was confirmed by FT-IR studies. It is observed that the efficiencies of catalysts were dependent on pH, the cation, the type and concentration of basic sites, etc. A unique study on the product adsorption capacities on solids was done and it is recognized that as the strength of basic sites increases, adsorption enhances.}, doi = { 10.1039/c6gc02701f}, author = {Chaudhary, Richa and Dhepe, Paresh Laxmikant} } @conference {45710, title = {Solubility limits of ceria-zirconia-lanthana solid-solutions}, booktitle = {International Conference on Recent Trends in Engineering and Material Sciences (ICEMS)}, year = {2017}, month = {MAR}, publisher = {Elsevier Science BV, PO BOX 211, 1000 AE Amsterdam, Netherlands}, organization = {Elsevier Science BV, PO BOX 211, 1000 AE Amsterdam, Netherlands}, address = {Jaipur, India}, abstract = {
We demonstrate, the solubility limits of Ceria-Zirconia-Lanthana (CZLa) solid-solutions with the increase in heat-treatment temperature from 600 degrees C to 1300 degrees C. CZLa nano-crystalline samples were successfully synthesized by EDTA-Citrate complex method and were characterized by Raman Spectroscopy (RS) and Transmission Electron Microscopy (TEM) analysis. With an increase in temperature, it is noticed that the solubility limit is decreased in CZLa system. At 600 degrees C, a very good solubility is observed in CZLa system and is confirmed from RS analysis. At higher heat-treatment temperatures (1000 and 1300 degrees C), with an increase in La content, Zr precipitated in the CZLa system and is confirmed from RS analysis. The reason for such kind of behavior in this CZLa system is clearly explained in this work. (C) 2017 Elsevier Ltd. All rights reserved.
}, keywords = {Ceria-Zirconia Lanthana, EDTA-Citrate method, Raman spectroscopy, solubility limit, XRD}, author = {Abbas, Zenab and Surendran, Mythili and Anjana, P. A. and Jidev, P. K. and Dasari, Harshini and Naidu, Sudhakar N. and Anandhan, S. and Bhat, Udaya K. and Babu, Uday Bhaskar G. and Dasari, Hari Prasad} } @article {43895, title = {Solution processed cellulose/melanin films and fibres}, journal = {Green Materials }, volume = {5}, year = {2017}, month = {JUN}, type = {Article}, abstract = {Melanins constitute a class of biomacromolecules that are abundant in nature. Although they exhibit a unique range of physical and chemical properties, their intractable nature has precluded their dissolution in common solvents and facile processing into functional materials. The authors found that commercially available 40 wt\% tetrabutylammonium hydroxide (Tbah) solution could yield stable solutions of synthetic and natural melanins at ambient conditions and the dissolution rate could be accelerated by microwave radiation. Transmission electron microscopy images clearly show the disruption of the aggregated structure of melanins in Tbah. Scanning electron microscopy images of melanin/Tbah solutions precipitated in acetone revealed that melanins are dissolved and regenerated and not merely dispersed. To the best of the authors{\textquoteright} knowledge, this is the first report demonstrating a facile approach to solution processing melanins with other biopolymers, which allows leverage of many unique properties of melanins. As an illustrative example, the authors demonstrate here the successful fabrication of cellulose/melanin composite films and fibers and their significant dye absorption capacity (62\% reduction) with methylene blue.}, doi = {10.1680/jgrma.17.00003}, author = {Farsa, Ram and Pimpalkar, Nikhil and Shete, Abhijit P. and Shanmuganathan, Kadhiravan} } @article {43748, title = {Solvent-free glycerol transesterification with propylene carbonate to glycerol carbonate over a solid base catalyst}, journal = {Energy \& Fuels}, volume = {31}, year = {2017}, month = {APR}, pages = {4361-4371}, type = {Article}, abstract = {Glycerol transesterification using propylene carbonate (PC) to glycerol carbonate.(GC) could be efficiently performed under solvent-free {\textquoteright}conditions {\textquoteright}wing solid base as catalysts involving non-noble metal oxide in combination with hydrotalcites (HTs). Among all of the catalysts studied for transesterification, the best result was obtained over a calcium-doped hyclrotalcite (Ca-FIT) catalyst, giving 84\% conversion of glycerol and almost complete. GC selectivity. The crystal structure of HT was modified by incorporation of Ca and La into FIT, as revealed by X-ray diffraction studies. The temperature-programmed desorption of carbon dioxide study confirmed the presence of the highest basic site density in terms of 1.94 mmol of CO2 desorbed/g of catalyst, responsible for its higher transesterification efficiency of the Ca-HT catalyst. The Fourier transform infrared spectroscopy study showed peaks at 3036 and 3042 cm(-1) for Ca -HT and lanthanum-doped hydrotalcite (La -HT), respectively, confirming the presence of hydrogen bonding between water and interlayer carbonate anions responsible for abstracting proton from the primary hydroxyl group of glycerol to attack over carbonyl carbon of PC. The presence of intercalated carbonate ions is also confirmed by the Raman study, in both PIT and ca-HT catalysts and even after use of the Ca HT catalyst. The thermogravimetry-differential thermal analysis study evidenced the higher thermal stability of the Ca -HT (T-4 = 765 degrees C) catalyst than that of parent HT with a Mg/Al ratio of 3:1 (T4 = 630 degrees C). Various process conditions, such as the temperature, molar ratio of glycerol/PC, and catalyst loading, significantly influenced conversion and selectivity of glycerol: and GC, Tespectively.}, doi = {10.1021/acs.energyfuels.7b00034}, author = {Kondawar, Sharda and Rode, Chandrashekhar} } @article {43927, title = {Solvent-free synthesis of thiobarbituric acids using amberlyst-15 as a green catalyst}, journal = {Current Green Chemistry}, volume = {3}, year = {2017}, month = {OCT}, type = {Article}, doi = {10.2174/2213346104666170704115006}, author = {Dhonde, Madhukar G. and Gajbhiye, Jayant M. and Katiya, Manish M.} } @article {43892, title = {Sorption of metaldehyde using granular activated carbon}, journal = {Journal of Water Reuse and Desalination}, volume = {7}, year = {2017}, month = {SEP}, chapter = {280-287}, abstract = {
In this work, the ability of granular activated carbon (GAC) to sorb metaldehyde was evaluated. The kinetic data could be described by an intra-particle diffusion model, which indicated that the porosity of the sorbent strongly influenced the rate of sorption. The analysis of the equilibrium sorption data revealed that ionic strength and temperature did not play any significant role in the metaldehyde uptake. The sorption isotherms were successfully predicted by the Freundlich model. The GAC used in this paper exhibited a higher affinity and sorption capacity for metaldehyde with respect to other GACs studied in previous works, probably as a result of its higher specific surface area and high point of zero charge.
}, keywords = {Degradation, Diffusion-controlled Sorption, Environmental Pollution, Granular Activated Carbon, Metaldehyde, Sorption Adsorption}, issn = {2220-1319}, doi = {10.2166/wrd.2016.074}, author = {Salvestrini, S. and Vanore, P. and Bogush, A. and Mayadevi, S. and Campos, L. C.} } @inbook {45802, title = {Specific receptors and imaging reagents for certain heavy metal toxins}, booktitle = {Comprehensive supramolecular chemistry II}, volume = {8}, year = {2017}, pages = { 319-349}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, chapter = {Specific receptors and imaging reagents for certain heavy metal toxins}, abstract = {Among various elements, mercury (Hg) and palladium (Pd) are featured in all lists of heavy metal toxins. Mercury is xenobiotics and toxic even at trace levels of exposure either in elemental (if aerosolized) or in its two ionic forms (viz. Hg(I) and Hg(II)). Importantly, the most common oxidation state of mercury is Hg(II) and this has an appreciably high value for enthalpy of solvation in aqueous media. This fact along with a high spin-orbit coupling constant value are not conducive for designing efficient luminescence ON-based receptors for Hg(II), which are essential for either detection or imaging of such toxins inside the cells or in specific organs. Such sensors have significance in evaluating the influence of such toxins in human physiology as well as in clinical diagnostics. Analogously, Palladium (in oxidation states of 0, II, and IV) is commonly used as a catalyst for the synthesis of various drugs or active pharmaceutical intermediates. Despite best efforts in purification and elimination of palladium used in such reactions, residual concentrations of Pd are often higher than the permissible level set by the World Health Organization. The affinity of Pd toward thiol-containing amino acids, proteins, DNA, or other macromolecules is known to cause physiological disorders. All these necessitate the design and development of efficient imaging reagents that are specific toward a certain cationic analytes and allow for the real-time monitoring for assessing the adverse influences on human physiology. Recent advances in such reagents primarily for Hg(II), Pd(0), and Pd(II) are discussed.}, isbn = { 978-012803198-8}, issn = {978-012803199-5}, doi = {10.1016/B978-0-12-409547-2.12617-4}, author = {Anila, H. A. and Ali, F. and Das, A.} } @article {43885, title = {Spectroscopic and reactivity comparisons of a pair of bTAML complexes with Fe-V=O and Fe-IV=O units}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {JUN}, pages = {6352-6361}, type = {Article}, abstract = {In this report we compare the geometric and electronic structures and reactivities of [Fe-V(O)](-) and [Fe-IV(O)](2-) species supported by the same ancillary nonheme biuret tetraamido macrocyclic ligand (bTAML). Resonance Raman studies show that the Fe-O vibration of the [Fe-IV(O)](2-) complex 2 is at 798 cm(-1), compared to 862 cm(-1) for the corresponding [Fe-V(O)](-) species 3, a 64 cm(-1) frequency difference reasonably reproduced by density functional theory calculations. These values are, respectively, the lowest and the highest frequencies observed thus far for nonheme high-valent Fe-O complexes. Extended X-ray absorption fine structure analysis of 3 reveals an Fe-O bond length of 1.59 angstrom, which is 0.05 angstrom shorter than that found in complex 2. The redox potentials of 2 and 3 are 0.44 V (measured at pH 12) and 1.19 V (measured at pH 7) versus normal hydrogen electrode, respectively, corresponding to the [Fe-IV(O)](2-)/[Fe-III(OH)](2-) and [Fe-V(O)](-)/[Fe-IV(O)](2-) couples. Consistent with its higher potential (even after correcting for the pH difference), 3 oxidizes benzyl alcohol at pH 7 with a second-order rate constant that is 2500-fold bigger than that for 2 at pH 12. Furthermore, 2 exhibits a classical kinteic isotope effect (KIE) of 3 in the oxidation of benzyl alcohol to benzaldehyde versus a nonclassical KIE of 12 for 3, emphasizing the reactivity differences between 2 and 3.}, doi = {10.1021/acs.inorgchem.7b00448}, author = {Pattanayak, Santanu and Jasniewsk, Andrew J. and Rana, Atanu and Draksharapu, Apparao and Singh, Kundan K. and Weitz, Andrew and Hendrich, Michael and Que, Lawrence, Jr. and Dey, Abhishek and Sen Gupta, Sayam} } @article {45689, title = {Stability studies of cuticle degrading and mycolytic enzymes of myrothecium verrucaria for control of insect pests and fungal phytopathogens}, journal = {Indian Journal of Biotechnology}, volume = {16 }, year = {2017}, month = {JUN}, pages = {404-412}, type = {Article}, abstract = {Myrothecium verrucaria produced extracellularly hydrolytic enzymes which can hydrolyse the insect cuticle as well as fungal cell wall. The addition of polyols, such as glycerol, sorbitol, xylitol (1 M) during ultra -filtration or freeze- drying of enzyme mixture increased the recovery of the enzymes in a concentrated form. Polyols (5 M) increased the temperature and pH stability of the enzymes, in the presence of glycerol chitinase, beta-1,3-glucanase, lipase and protease retained 50-60\% of initial activities at 40 degrees C after 3 h. While xylitol (5 M) was effective in stabilizing activities at pH 5.0 and 7.5 at 25 degrees C for 7 d. In the freeze-dried powder form, > 90\% at 4 degrees C for 1 year and 80-85\% at 25 degrees C for 2 months enzyme activities were retained. The addition of glycerol (1 M) to the enzyme mixture protected enzyme activities under sunlight (60-65\% activity at RT) for 5 d. Because of glycerol (1 M), the efficacy of M verrucaria enzyme preparation to control Helicoverpa armigera infestation in chick pea was increased to 70 +/- 19\%. While without glycerol the efficacy was 55 +/- 23\%. The germination of peanut seeds infected with Sclerotium rolfsii was observed to be increased (70 +/- 5\%) in a pot irrigated with enzyme mixture.}, author = {Chavan, S. B and Vidhate, R. P. and Kallure, G. S. and Dandawate, N. L. and Khire, J. M. and Deshpande, M. V.} } @article {43917, title = {Stabilization of γ-sterilized low-density polyethylene by synergistic mixtures of food-contact approval stabilizers}, journal = {International Journal of Industrial Chemistry}, volume = {8}, year = {2017}, month = {JUN}, pages = {145{\textendash}156}, abstract = {In our previous studies, we have found the synergistic combinations of stabilizers which follow different mechanisms of stabilization and are approved for food contact applications. The present attempt is to test the potentials of those systems in stabilizing γ-sterilized low-density polyethylene (LDPE). The results were discussed by comparing the stabilizing efficiency of mixtures with and without phenol systems as well as with their counterparts of isotactic polypropylene (iPP) and ethylene-propylene copolymers (EP) matrices. LDPE has been melt-mixed with tertiary hindered amine stabilizer (tert-HAS), oligomeric HAS stabilizer, phenolic and organo-phosphite antioxidants and subjected to γ-sterilization. Stabilization in terms of changes in oxidation products, tensile properties, yellowing and surface morphology was evaluated by FT-IR spectroscopy, Instron, colorimetry, and scanning electron microscopy (SEM), respectively. The results of the present study confirm the validity of those systems for protecting various polyolefins against γ-sterilization. The results showed that the synergism, antagonism and the trend in stabilization efficiency of the binary, ternary and quaternary stabilizer systems were almost similar in LDPE, iPP and EP matrices. The binary system of oligomeric HAS and tert-HAS has shown the antagonistic effect of stabilization, whereas their combination with organo-phosphite has exhibited synergistic effect even at higher doses of γ-sterilization. The combination of oligomeric HAS, tert-HAS, organo-phosphite and hindered phenol exhibited improved stabilization efficiency than single or binary additive systems. The phenol systems have shown long term of stability than that of phenol-free systems. It was found that the consumption of oligomeric stabilizer significantly depends on the components of stabilization mixture. It was concluded that the stability of polyolefins (LDPE, iPP and EP) against γ-sterilization can be achieved by blends of different stabilizers which are approved for food contact applications.}, doi = {10.1007/s40090-017-0117-0}, author = {Alariqi, Sameh A. S. and Al-Areqi, Niyazi A. S. and Alaghbari, Elyas Sadeq and Singh, Raj Pal} } @inbook {44022, title = {Step-growth polymers from cashew nut shell liquid (CNSL)-based aromatic difunctional monomers}, booktitle = {Cashew Nut Shell Liquid}, year = {2017}, pages = {163-214}, abstract = {
Cashew nut shell liquid (CNSL) is an attractive renewable resource material which is available in abundance (44,50,000 tonnes worldwide and 7,53,000 tonnes in India in 2013) at low cost (around 0.27 $/kg in 2015) and is mainly composed of anacardic acid, cardanol, cardol and 2-methyl cardol. Cardanol is obtained as a major product during hot oil extraction or roasting process of CNSL. Cardanol possesses interesting structural features. The aromatic ring of cardanol can undergo electrophilic substitution reactions; the unsaturated side chain can undergo epoxidation, hydrogenation, metathesis, etc., while the phenolic hydroxyl group can undergo various reactions such as esterification and alkylation. Such opportunities of chemical modifications offered by cardanol have been extensively explored to synthesise a range of interesting aromatic difunctional monomers that have subsequently been utilised to prepare a host of step-growth polymers. Summarised herein are research efforts that have contributed towards the synthesis of step-growth polymers based on aromatic difunctional monomers derived from cardanol. The properties of high-performance polymers, with a particular focus on processability and thermal characteristics, are highlighted.
}, doi = {10.1007/978-3-319-47455-7_9}, author = {Chatterjee, Deepshikha and Sadavarte, Nilakshi V. and Shingte, Rahul D. and More, Arvind S. and Tawade, Bhausaheb V. and Kulkarni, Arun D. and Ichake, Amol B. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article {43974, title = {Stimulation of d - and l -lactate dehydrogenases transcriptional levels in presence of diammonium hydrogen phosphate resulting to enhanced lactic acid production by Lactobacillus strain}, journal = {Journal of Bioscience and Bioengineering}, volume = {17}, year = {2017}, month = {AUG}, pages = {1389-1723}, type = {Article}, abstract = {The present study revealed the effect of nitrogen sources on lactic acid production and stimulation of d- and l-lactate dehydrogenases (LDH) of parent Lactobacillus lactis NCIM 2368 and its mutant RM2-24 generated after UV mutagenesis. Both the parent and mutant strains were evaluated for d-lactic acid production in control and modified media. The modified media did not show remarkable effect on lactic acid production in case of parent whereas mutant exhibited significant enhancement in d-lactic acid production along with the appearance of l-lactic acid in the broth. Both LDH activities and specific activities were found to be higher in mutant than the parent strain. These results suggested that the diammonium hydrogen phosphate in modified media triggered the expression of LDH genes leading to enhanced lactic acid production. This observation has been proved by studying the expression levels of d- and l-LDH genes of parent and mutant in control and modified media using quantitative RT-PCR technique. In case of mutant, the transcriptional levels of d-LDH and l-LDH increased \~{}17 fold and \~{}1.38 fold respectively in modified medium compared to the values obtained with control medium. In case of parent, no significant change in transcriptional levels of d- and l-LDH was found when the cells were grown in either control medium or modified medium. This study suggested that the mutant, RM2-24 has l-LDH gene which is expressed in presence of (NH4)2HPO4 resulting in l-lactic acid production. Co-production of l-lactic acid in d-lactic acid fermentation may be detrimental in the PLA production.}, doi = {10.1016/j.jbiosc.2017.07.009}, author = {Singhvi, Mamata S. and Zendo, Takeshi and Iida, Hiroshi and Gokhale, Digambar V. and Sonomoto, Kenji} } @article {43664, title = {Strikingly diverse reactivity of structurally identical silylene and stannylene}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {MAY}, pages = {6528-6532}, abstract = {The reactivity of structurally identical silylene and stannylene [PhC(NtBu)(2)EN(SiMe3)(2)] (E = Si (1) and Sn (2)) towards coinage metals has been explored. While 1 has the propensity to form an adduct with coinage metals (4 and 5), 2 undergoes a ligand exchange reaction with copper halides and silver triflate leading to PhC(NtBu) 2SnX (X = Br (6), Cl (7), and OSO2CF3 (8)) with concomitant formation of [M{N(SiMe3) (2)}] (M = Cu, Ag). However, with AgSbF6 both 1 and 2 led to ion pairs, 9(+) .SbF(6)(-)and 10(+) . SbF(6)(-)displaying weaker Ag center dot center dot center dot center dot F interactions in the latter.}, doi = {10.1039/c7dt01055a}, author = {Parvin, Nasrina and Dasgupta, Rajarshi and Pal, Shiv and Sen, Sakya S. and Khan, Shabana} } @article {43693, title = {Structural and dynamics studies of the TetR family protein, CprB from Streptomyces coelicolor in complex with its biological operator sequence}, journal = {Journal of Structural Biology}, volume = {198}, year = {2017}, month = {MAy}, pages = {134-146}, type = {Article}, abstract = {In Streptomycetes, tetracycline repressor family of transcription regulators (TetR-FTRs) controls various biological processes including antibiotic biosynthesis, cellular morphology and innate resistance. Here, we focus on understanding the structural basis of transcription regulation by CprB, a member of TetR-FTRs from S. coelicolor. CprB is implicated as a receptor of gamma-butyrolactones, a class of quorum sensing molecules, responsible for initiating secondary metabolic pathways. In order to understand the molecular mechanism of DNA recognition, the X-ray structure of CprB in complex with its biological relevant operator sequence was solved to a resolution of 3.95 angstrom. Furthermore, to refine and compliment the results, atomistic molecular dynamics simulations were carried out using the X-ray structure as the template. The studies reveal that CprB binds to DNA as dimer of dimers with this mode of interaction results in minimal distortion in the DNA, enabling these proteins to recognize multiple sequences with varying affinity. Another crucial finding from our simulation results was that the positively charged N-terminal arm of CprB brings extra stability to the protein-DNA complex by interacting with the minor-groove of the DNA and anchoring itself to the phosphate backbone. Corroborating electrophoretic mobility shift assay and fluorescence anisotropy experiments showed that the mutant AN6-CprB exhibited about 7-8 fold reduced DNA binding. Comparison with other TetR-FTRs reveals that this strategy is also employed by over 25\% of TetR-FTRs, where N-terminal anchoring mechanism is used to enhance selectivity for a particular DNA sequence. (C) 2017 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.jsb.2017.03.006}, author = {Bhukya, Hussain and Jana, Asis K. and Sengupta, Neelanjana and Anand, Ruchi} } @article {43996, title = {Structural insights into the hydrogen-bonding and folding pattern in ant-ant-pro-gly tetrapeptides}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {MAY}, pages = {2944{\textendash}2949}, type = {Article}, abstract = {In this paper, we provide structural insights into the hydrogen-bonding and folding pattern in Ant-Ant-Pro-Gly tetrapeptides (Ant: anthranilic acid; Pro: proline; and Gly: glycine). Comparison of the C-terminal esters and their amide analogs revealed strikingly different H-bonding networks. Whereas the ester analogs displayed an open structure without terminal H-bonding interactions, the amide analogs showed a completely folded structure. Structural details were revealed by using a combination of X-ray crystal structure studies and NOE-based molecular dynamics (MD) simulation studies.}, doi = {10.1002/ejoc.201700181}, author = {Baravkar, Sachin B. and Kotmale, Amol S. and Mobin, Samir R. and Gonnade, Rajesh Ghanshyam and Sanjayan, Gangadhar J.} } @article {43497, title = {Structural, magnetic, dielectric and magnetodielectric properties of Bi1-xCaxFe1-xMnxO3 in the morphotropic phase boundary region}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {JAN}, pages = {Article Number: 016104}, abstract = {Structural, magnetic, dielectric and magnetodielectric properties of Ca and Mn co-substituted bismuth ferrite, Bi1-xCaxFe1-xMnxO3 (0 <= x <= 0.4) are reported. Structural studies by Rietveld refinement of XRD patterns revealed rhombohedral R3c structure for x <= 0.11 and orthorhombic Pbnm structure for x >= 0.2. For compositions in the range 0.11 < x < 0.2, mixed phase behaviour is observed showing a morphotropic phase boundary (MPB) region. Magnetisation at room temperature increases with increasing Ca and Mn content, showing weak ferromagnetism. Coercivity and remanence initially increase and then decrease with increasing x, showing a maximum for x = 0.175 in the MPB region. Dielectric constant also shows a maximum value in the mixed phase region. Magnetodielectric (MD) studies revealed positive MD for the R3c phase and a negative MD for the Pbnm phase, showing a maximum MD (similar to 1\%) for x approximate to 0.1 and crossover at x approximate to 0.175. The studies show strong interplay between the structure and properties, suggesting tuneable bismuth ferrite based compositions for magnetoelectric applications.}, doi = {10.1088/2053-1591/aa5686}, author = {Manjunath, B. and Thakuria, P. and Joy, P. A.} } @article {43858, title = {Structural phases, magnetic properties and Maxwell-Wagner type relaxation of CoFe2O4/Sr2Co2Fe12O22 ferrite composites}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {JUL}, pages = {Article Number: 076105}, type = {Article}, abstract = {CoFe2O4 (S:Y-1:0) and Sr2Co2Fe12O22 (S:Y-0:1) ferrites were synthesized separately by using chemical coprecipitation technique and calcined at 1000 degrees C for 5 h. The mixed ferrite composites (S:Y-3:7, 4:6, 5:5, 6:4 and 7:3) were prepared by physical mixing of individual ferrite powders in required weight proportions. The prepared composites were heated at 1150 degrees C for 5 h in a muffle furnace and then slowly cooled to room temperature. The prepared ferrites were characterized using various instrumental techniques like FTIR, XRD, SEM, VSM and dielectric measurements. The x-ray diffraction studies of pure Sr2Co2Fe12O22 ferrite sample show the presence of M and Y-type hexagonal phases, while the composites consist of spinel and Y-type phases. FTIR spectra of all samples show two bands of Fe-O stretching vibrations. VSM results of composites reveal that the values of the saturation magnetization (M-s) vary from 50.44 emu g(-1) to 31.21 emu g(-1), while remanent magnetization values found from 11.18 emu g(-1) to 3.70 emu g(-1). A higher value of coercivity (H-c = 562 emu g(-1)) is observed in the composite S:Y-3:7 but Mr/Ms ratio of pure and composites is found to be less than 0.5. The dielectric behavior is explained using Maxwell-Wegner type interfacial polarization and N. Rezlescu{\textquoteright}s model.}, doi = {10.1088/2053-1591/aa7699}, author = {Patel, Chirag K. and Solanki, Neha P. and Singh, Charanjeet and Jotania, Rajshree B. and Chauhan, Chetna C. and Kulkarni, Shailja D. and Shirsath, Sagar E.} } @article {45675, title = {Structure and short time degradation studies of sodium zirconium phosphate ceramics loaded with simulated fast breeder (FBR) waste}, journal = {Journal of Nuclear Materials}, volume = {487 }, year = {2017}, month = {APR}, pages = {5-12}, type = {Article}, abstract = {Sodium zirconium phosphate (NZP) ceramics have been prepared using conventional sintering and hot isostatic pressing (HIP) routes. The structure of NZP ceramics, prepared using the HIP route, has been compared with conventionally sintered NZP using a combination of X-ray diffraction (XRD) and (P-31 and Na-23) nuclear magnetic resonance (NMR) spectroscopy techniques. It is observed that NZP with no waste loading is aggressive toward the steel HIP -can during hot isostatic compaction and significant fraction of cations from the steel enter the ceramic material. Waste loaded NZP samples (10 wt\% simulated FBR waste) show significantly low can -interaction and primary NZP phase is evident in this material. Upon exposure of can -interacted and waste loaded NZP to boiling water and steam, P-31 NMR does not detect any major modifications in the network structure. However, the Na-23 NMR spectra indicate migration of Na+ ions from the surface and possible re -crystallization. This is corroborated by Small -Angle Neutron Scattering (SANS) data and Scanning Electron Microscopy (SEM) measurements carried out on these samples.}, doi = {10.1016/j.jnucmat.2017.01.054}, author = {Ananthanarayanan, A. and Ambashta, R. D. and Sudarsan, V. and Ajithkumar, T. and Sen, D. and Mazumder, S. and Wattal, P. K.} } @article {45699, title = {Structure-function relationship of a bio-pesticidal trypsin/chymotrypsin inhibitor from winged bean}, journal = {International Journal of Biological Macromolecules}, volume = {96}, year = {2017}, month = {MAR}, pages = {532-537}, type = {Article}, abstract = {
Protease inhibitors are essential bio-molecules that serve as a model system for the study of protein structure and protease-protease inhibitor interaction. We here report a bi-functional serine protease inhibitor from winged bean (WBCTI) that completely retains its inhibitory property against trypsin and chymotrypsin even after heating at 70 degrees C. Detailed circular dichroism and fluorescence studies at different temperatures, 30-90 degrees C, have been performed to understand the reason behind thermal stability of the protein. On the basis of our results it appears that WBCTI maintains its canonical structure up to 70 degrees C. Above that the heat induced conformational change becomes irreversible which causes aggregation followed by precipitation of the protein. Moreover, the activity and stability of the secondary structure are found to decrease drastically in presence of dithiothreitol indicating that the protein acquires additional stability for the occurrence of two disulfide bonds. In addition to the structural characterization, an important property of WBCTI against the polyphagous pest Helicoverpa armigera has been explored in present study. WBCTI has showed reasonable inhibition of the mid-gut proteases of H. armigera. In artificial feeding trial through addition of WBCTI in diet resulted in significant growth retardation, delayed pupae formation and higher mortality of H. armigera larvae. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Disulfide reduction, Heat stable, Pesticidal, Trypsin/Chymotrypsin inhibitor, Winged bean}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2016.12.018}, author = {Banerjee, Sayanika and Giri, Ashok P. and Gupta, Vidya S. and Dutta, Samir Kumar} } @article {43773, title = {Studies on the role of unsaturation in the fatty acid surfactant molecule on the thermal conductivity of magnetite nanofluids}, journal = {Journal of colloid and interface science }, volume = {506}, year = {2017}, month = {NOV}, chapter = {162-168}, abstract = {
To study the role of unsaturation in the surfactant molecule on the thermal conductivity of magnetite nanofluids, four different fatty acid (stearic, oleic, linoleic, and linolenic acids with different degree of unsaturation) coated magnetite nanoparticles of comparable size are prepared and dispersed in toluene. It is found that the nanofluid with the saturated fatty acid coated nanoparticles show larger viscosity than the fluid with the unsaturated fatty acid coated particles at all concentrations. Thermal conductivity studies show enhancement only above a critical concentration for all fluids. The critical concentration for thermal conductivity enhancement varies with the surfactant, possibly due to the difference in the degree of aggregation of the nanoparticles in the fluid, because of the difference in the conformation of the surfactant molecules on the nanoparticle{\textquoteright}s surface. The experimental thermal conductivity follows the Maxwell model at higher concentrations. From the overall studies, it is observed that the thermal conductivity of the fluids with aggregated or assembled nanoparticles shows slightly larger enhancement than that of the fluids with isolated particles. However, in the presence of a magnetic field, the fluids with isolated nanoparticles showed relatively larger enhancement, possibly due to the easy response of the isolated magnetite nanoparticles to the applied field. (C) 2017 Elsevier Inc. All rights reserved.
}, keywords = {Chains, Dynamics, Enhancement, Fields, Fluids, Forces, gold nanoparticles, Magnetic fluid; Nanofluid; Surfactant; Unsaturation; Conformation; Thermal conductivity; Viscosity, Self-assembled Monolayers}, issn = {0021-9797}, doi = {10.1016/j.jcis.2017.07.038}, author = {Lenin, Ramanujam and Joy, Pattayil Alias} } @conference {44414, title = {Studies on use of sodium poly acrylate (SPA) for low salt animal skinpreservation}, booktitle = { IULTCS CONGRESS 2017}, year = {2017}, month = {FEB}, publisher = {Central Leather Research Institute}, organization = {Central Leather Research Institute}, address = { ITC CHOLA , CHENNAI}, abstract = {In this study, commercial sodium poly acrylate (SPA) is used along with sodium chloride for low salt skin preservation. SPA is a super-absorbent polymer which can absorb water many times of its own weight.}, author = {Sandhya, K. V. and Brindha, Velappan and Abinandan, Sudharsanam and Vedaraman, N. and John, Sundar V. and Suresha, P. R. and Badiger, Manohar and Chinnaraj, Velappan kandukalpatti and Muralidharan, C.} } @article {44413, title = {Study of nanofiber scaffolds of PAA, PAA/CS, and PAA/ALG for its potential use in biotechnological applications}, journal = {International Journal of Polymeric Materials}, year = {2017}, month = {MAY}, abstract = {In recent times, electrospun nanofibers have been widely studied from several biotechnological approaches; in this work, poly (acrylic acid) solutions mixed with chitosan and alginate were electrospun and characterized in order to determine the behavior of these fibers when used in combination with bacteria, different samples were incubated with the bacterial strains: Streptomyces spp., Micromonospora spp. and Escherichia coli and a OD600 test was performed. The formation of nanofibers via electrospinning and the physicochemical properties of the obtained fibers were evaluated. Results showed that the presence of Chitosan enhanced the thermal stability of poly (acrylic acid), since poly (acrylic acid)/alginate fibers lost 5\% of their mass at 41{\textdegree}C while poly (acrylic acid)/chitosan lost this amount at around 125{\textdegree}C. The fibers demonstrated suitable characteristics to be used as a bacteria bioreactor.}, doi = {10.1080/00914037.2017.1378887}, author = {Rodolfo, Velasco and Ricardo, Vera-Graziano and L{\'o}pez-Maldonado, E.A. and Mercedes, Oropeza and Dastager, Syed and Adriana, {\'A}lvarez-Andrade and Ana, leticia Iglesias and Luis, Jes{\'u}s Villarreal-G{\'o}mez} } @article {44012, title = {Study of the effect of operating parameters on the extractive distillation of isopropyl alcohol{\textendash}water mixture using dimethyl sulphoxide as an entrainer}, journal = {Indian Chemical Engineer}, volume = {60}, year = {2017}, month = {MAY}, pages = {141-161}, type = {Journal Article}, chapter = {1-21}, abstract = {
Abstract: In this paper, the simulation analysis of separation of isopropyl alcohol (IPA){\textendash}water via extractive distillation by using dimethyl sulphoxide as an entrainer is presented. The steady-state simulation for this process was done using Aspen Plus simulator. The aim of this work is to study the effect of various operating parameters such as number of stages, molar reflux ratio, binary feed stage number, entrainer feed stage number, temperature of entrainer feed and entrainer to feed molar ratio on the purity and energy consumption. The sensitivity of these parameters serves as a basis to choose the optimum operating conditions to maximize the IPA purity and minimize the energy requirement. In this analysis, among various operating parameters, those which directly affect the IPA purity and the parameters which affect the reboiler duty, for the given separation task, are identified. Simulation results with optimum operating conditions and their economic analysis are also presented.
}, keywords = {Aspen Plus Simulators, Azeotrope, Computer software, Distillation, Energy requirements, Energy utilization, Extractive distillation, Isopropyl alcohol/water, Isopropyl alcohols, Operating parameters, Optimum operating conditions, Sensitivity analysis, simulation, SimulationSteady-state simulations, Solvents}, issn = {0019-4506}, doi = {10.1080/00194506.2017.1322923}, author = {Ghuge, Pravin D. and Mali, Nilesh A. and Sirsam, R. S.} } @article {45696, title = {Study of thermally coupled distillation systems for energy-efficient distillation}, journal = {Sadhana-Academy Proceedings in Engineering Sciences}, volume = {42}, year = {2017}, month = {JAN}, pages = {119-128}, type = {Article}, abstract = {
Distillation is one of the most widely used separation unit operations in process industries, although it is quite energy intensive. In many cases, the enormous energy requirements for distillation make it economically infeasible to carry out the separation. Thermally coupled distillation system (TCDS) is an advanced distillation method that provides significant energy savings of about 30\% as compared with conventional distillation column sequences. The most well-known TCDS sequence, the Petlyuk configuration, has some operational challenges due to bidirectional vapour flow, which makes its implementation difficult in two-column mode. To overcome these limitations, a number of unidirectional vapour flow configurations have been proposed in the literature. The work on simulation analysis for such configurations is limited. In this paper, simulation models for two such configurations are developed, analyzed and compared with the Petlyuk and conventional distillation column sequences for separation of equimolar mixture of benzene-toluene-ethylbenzene.
}, keywords = {Distillation, energy efficient, Petlyuk, simulation, thermally coupled}, issn = {0256-2499}, doi = {10.1007/s12046-016-0580-x}, author = {Saxena, Neha and Mali, Nilesh and Satpute, Satchidanand} } @article {44142, title = {Study on doped heterojunctions in TiO2 nanotubes: an efficient photocatalyst for solar water splitting}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {OCT}, pages = {Article Number: 14314}, type = {Article}, abstract = {The two important factors that affect sunlight assisted water splitting ability of TiO2 are its charge recombination and large band gap. We report the first demonstration of nitrogen doped triphase (anatase-rutile-brookite) TiO2 nanotubes as sun light active photocatalyst for water splitting with high quantum efficiency. Nitrogen doped triphase TiO2 nanotubes, corresponding to different nitrogen concentrations, are synthesized electrochemically. Increase in nitrogen concentration in triphase TiO2 nanotubes is found to induce brookite to anatase phase transformation. The variation in density of intra-band states (Ti3+ and N 2p states) with increase in nitrogen doping are found to be critical in tuning the photocatalytic activity of TiO2 nanotubes. The presence of bulk heterojunctions in single nanotube of different nitrogen doped TiO2 samples is confirmed from HRTEM analysis. The most active nitrogen doped triphase TiO2 nanotubes are found to be 12 times efficient compared to pristine triphase TiO2, for solar hydrogen generation. The band alignment and charge transfer pathways in nitrogen doped TiO2 with triphase heterojunctions are delineated. Bulk heterojunctions among the three phases present in the nanotubes with intra-band defect states is shown to enhance the photocatalytic activity tremendously. Our study also confirms the theory that three phase system is efficient in photocatalysis compared to two phase system.}, doi = {10.1038/s41598-017-14463-0}, author = {Preethi, L. K. and Antony, Rajini P. and Mathews, Tom and Walczak, Lukasz and Gopinath, Chinnakonda S.} } @article {43500, title = {Sulfamic acid-catalyzed, environmentally benign synthesis of bis-tetronic acids at ambient temperature}, journal = {Research on Chemical Intermediates}, volume = {43}, year = {2017}, month = {JAN}, pages = {141-152}, abstract = {An enviro-economic protocol has been described for the synthesis of bis-tetronic acids by pseudo-three-component condensation between aldehydes/isatins and tetronic acid using sulfamic acid as a solid acid catalyst. Easy commercial availability of the catalyst at extremely low cost, excellent yields and avoidance of conventional purification procedures are the main merits of this energy efficient protocol.}, doi = {10.1007/s11164-016-2611-y}, author = {Pandit, Kapil S. and Desai, Uday V. and Wadgaonkar, Prakash P. and Kodam, Kisan M.} } @article {43258, title = {Superoxide generation and its involvement in the growth of mycobacterium smegmatis}, journal = {Frontiers in Microbiology}, volume = {8}, year = {2017}, month = {JAN}, pages = {Article Number: 105}, abstract = {
Superoxide generation is inevitable in aerobic organisms, most of which have developed mechanisms to detoxify superoxides. However, its significance has not been clearly understood in mycobacteria. This study demonstrates that NADH oxidase is the major source of superoxide in Mycobacterium smegmatis and elucidates the involvement of superoxide in M. smegmatis growth. The maximum inhibition of superoxide generation was observed in the presence of diphenyleneiodonium chloride (DPI), an NADH oxidase inhibitor, compared to other standard inhibitors. After incubation for 24 h, the number of colony forming units (CFUs) was reduced by 6.8 log10 compared to the untreated culture. The inhibitory effect of DPI on M. smegmatis was reversed when the same culture was supplemented with menadione and pyrogallol, which are superoxide generators. Thus, this study reports the source of superoxide generation and its involvement in the growth of M. smegmatis.
}, doi = {10.3389/fmicb.2017.00105}, author = {Yeware, Amar M. and Shurpali, Ketaki D. and Athalye, Meghana C. and Sarkar, Dhiman} } @article {44127, title = {Super-resolution probe to monitor HNO levels in the endoplasmic reticulum of cells}, journal = {Analytical Chemistry}, volume = {89}, year = {2017}, month = {NOV}, pages = {12087-12093}, type = {Article}, abstract = {Selective detection of nitroxyl (HNO), which has recently been identified as a reactive nitrogen species, is a challenging task. We report a BODIPY-based luminescence ON reagent for detection of HNO in aqueous solution and in live RAW 264.7 cells, based on the soft nucleophilicity of the phosphine oxide functionality toward HNO. The probe shows high selectivity to HNO over other reactive oxygen/nitrogen and sulfur species. Luminescence properties of the BODIPY-based chemodosimetric reagent make it an ideal candidate for use as a reagent for super-resolution structured illumination microscopy. The viability of the reagent for biological in vivo imaging application was also confirmed using Artemia as a model.}, doi = {10.1021/acs.analchem.7b02567}, author = {Ali, Firoj and Sreedharan, Sreejesh and Ashoka, Anila Hoskere and Saeed, Hiwa K. and Smythe, Carl G. W. and Thomas, Jim A. and Das, Amitava} } @article {43818, title = {Supramolecular synthons in bumetanide cocrystals and ternary products}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {AUG}, pages = {4225-4236}, type = {Article}, abstract = {A novel design strategy for cocrystals of the diuretic sulfonamide drug bumetanide (BUM) with carboxamides is reported based on reliable supramolecular synthons. Binary cocrystals of BUM with pyridine carboxamides, pyridones, and cytosine were obtained by solvent assisted grinding followed by solution crystallization. All cocrystal structures exhibit hydrogen bonding of the coformer with the carboxylic acid group of BUM via heterosynthons which replace the acid homodimer in the drug crystal structure. Pyridones are inserted as N-H center dot center dot center dot O dimers which are in turn bonded to the acid group of BUM, while the pyridine amide coformers interact via the acid amide heterosynthon. Cocrystal polymorphs were obtained for bumetanide isonicotinamide cocrystal structure with the sulfonamide pyridine and sulfonamide acid synthons. Careful crystal packing analysis of BUM structure and nine new binary adducts gave an idea for the design ternary cocrystals, and subsequently four new ternary crystalline products were crystallized. Whereas the binary cocrystal structures were confirmed by single crystal diffraction, the ternary combinations were chatacterized by their unique powder X-ray diffraction patterns as well as by thermal and spectroscopic techniques.}, doi = {10.1021/acs.cgd.7b00531}, author = {Allu, Suryanarayana and Bolla, Geetha and Tothadi, Srinu and Nangia, Ashwini} } @article {45753, title = {Surface disordered rutile TiO2-graphene quantum dot hybrids: a new multifunctional material with superior photocatalytic and biofilm eradication properties}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {APR}, pages = {2642-2657}, type = {Article}, abstract = {The controlled introduction of defects in semiconductors has contributed to the development of electronic devices and technologies. Recently, chemical control over defects, formation of new hybrid materials and multifunctional nanostructures have been sought in energy, health, and environment related technologies. Surface-disordered anatase-TiO2 has received wide attention due to its exceptional photocatalytic performance. Herein, we demonstrate, for the first time, a one-step aqueous-phase synthesis of a surface-disordered rutile TiO2-graphene quantum dot (TG) hybrid material. The TG-hybrid is a rutile-TiO2 matrix in which homogeneous in situ insertion of GQDs occurs during the growth of the TiO2 particles. The TG-hybrid material showed superior photocatalytic performance with similar to 98\% solar light driven photo-degradation of methylene blue (MB) dye within 6 min and similar to 86\% of rhodamine-B (RhB) within 4 min which is much better than the photocatalytic performance shown by the rutile-TiO2 (similar to 30\% and similar to 20\%, respectively) and GQDs (similar to 15\% and similar to 8\%, respectively), themselves. Moreover, the TG-hybrid also showed enhanced toxicity to Gram-positive (S. aureus) as well as Gram-negative (E. coli, P. aeruginosa) bacterial cells. The growth-curves of E. coli cells, after incubating them with increasing concentrations of the TG-hybrid, showed that the TG-hybrid could effectively inhibit the growth of E. coli cells at a concentration of 60 mu g mL(-1). The effect of UV-light exposure on the bacterial-biofilm disruption by the TG-hybrid material was also investigated. It was observed that in the presence of UV-light, the biofilm disruption done by the TG-hybrid was larger in comparison to the TiO2 and GQDs alone, under the same conditions. The increase in the formation of reactive oxygen species (ROS) in the presence of sunlight for the TG-hybrid may be the reason behind its superior antibacterial and biofilm eradication properties. We believe that the TG-hybrid material will have applications in energy, health and environment related technologies.}, doi = { 10.1039/c6nj03607d}, author = {Biswas, A. and Salunke, G. and Khandelwal, P. and Das, R. and Poddar, P.} } @article {45739, title = {Sustainable biobutanol production from pineapple waste by using Clostridium acetobutylicum B 527: Drying kinetics study}, journal = {Bioresource Technology}, volume = {225}, year = {2017}, month = {FEB}, pages = {359-366}, type = {Article}, abstract = {Present investigation explores the use of pineapple peel, a food industry waste, for acetone-butanol-ethanol (ABE) production using Clostridium acetobutylicum B 527. Proximate analysis of pineapple peel shows that it contains 35\% cellulose, 19\% hemicellulose, and 16\% lignin on dry basis. Drying experiments on pineapple peel waste were carried out in the temperature range of 60-120 degrees C and experimental drying data was modeled using moisture diffusion control model to study its effect on ABE production. The production of ABE was further accomplished via acid hydrolysis, detoxification, and fermentation process. Maximum total sugar release obtained by using acid hydrolysis was 97 g/L with 95-97\% and 10-50\% removal of phenolics and acetic acid, respectively during detoxification process. The maximum ABE titer obtained was 5.23 g/L with 55.6\% substrate consumption when samples dried at 120 degrees C were used as a substrate (after detoxification). }, doi = {10.1016/j.biortech.2016.11.058} } @article {44008, title = {Syntheses and single crystal X-ray diffraction studies of hydroxynicotinic acid based complexes involving supramolecular interactions}, journal = {Polyhedron}, volume = {133}, year = {2017}, month = {SEP}, pages = {222-230}, type = {Journal Article}, abstract = {Aqua-bridged coordination polymers of Cu(II) and Cd(II) and a mononuclear complex of Cu(II) were solvothermally synthesized with hydroxy-decorated ligands such as 2-hydroxynicotinic acid (2-OHNAH) and 6-hydroxynicotinic acid (6-OHNAH) in aqueous-nonaqueous mixed media. All these complexes were characterized by elemental analyses (C, H, N), FT-IR, thermogravimetric analysis (TGA), powder XRD and single crystal X-ray crystallography. They are formulated as [Cu(2-OHNA)2] 1, [Cu(6-OHNA)2(μ-H2O)2]n 2 and [Cd(6-OHNA)2(μ-H2O)2]n 3. Complex 1 is mononuclear 0D square planar complex which extends its dimensionality by weak supramolecular interactions such as π{\textendash}π stacking interactions and intermolecular hydrogen bonding. Complexes 2 and 3 are polymeric aqua-bridged 1D infinite chain of Cu(II) and Cd(II), respectively. The central metal ions in these two complexes are in octahedral coordination environment. These two complexes are also assembled by π{\textendash}π stacking interactions, inter- and intramolecular hydrogen bonding interactions. }, keywords = {2-Hydroxynicotinic Acid, 6-Hydroxynicotinic Acid, Coordination polymer, Polymeric Aqua-Bridged, X-ray diffraction}, doi = { 10.1016/j.poly.2017.05.041}, author = {Singh, S.K.}, editor = {Srivastava, K.} } @article {43671, title = {Synthesis and antimycobacterial screening of new thiazolyl-oxazole derivatives}, journal = {European Journal of Medicinal Chemistry}, volume = {132}, year = {2017}, month = {MAY}, pages = {333-340}, type = {Article}, abstract = {
In the present study a series of 4-methyl-2-aryl-5-(2-aryl/benzyl thiazol-4-yl) oxazole (4a-v) have been synthesized and evaluated for their preliminary antitubercular, antimicrobial and cytotoxicity activity. Among all the synthesized compounds, 4v reported comparable activity against dormant M. tuberculosis H37Ra and M. bovis BCG strains with respect to standard drug rifampicin. The active compounds from the antitubercular study were further tested for anti-proliferative activity against HeLa, A549 and PANC-1 cell lines using MU assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antibacterial activities with MIC range of 2.1-26.8 mu g/mL. High potency, lower cytotoxicity and promising antimycobacterial activity suggested that these compounds could serve as good leads for further optimisation and development. (C) 2017 Elsevier Masson SAS. All rights reserved.
}, doi = {10.1016/j.ejmech.2017.03.065}, author = {Abhale, Yogita K. and Sasane, Amit V. and Chavan, Abhijit P. and Shekh, Saddam Husen and Deshmukh, Keshav K. and Bhansali, Sujit and Nawale, Laxman and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {42980, title = {Synthesis and antitubercular activity of new thiazolidinones with pyrazinyl and thiazolyl scaffolds}, journal = {Journal of Heterocyclic Chemistry}, volume = {54}, year = {2017}, month = {JAN}, pages = {125-130}, abstract = {
Emergence of multidrug resistant and extensively drug resistant tuberculosis has prompted to develop new molecular entities to treat the disease. A series of new 4-thiazolidinones with pyrazinyl and thiazolyl scaffolds has been synthesized, and their antitubercular activity is reported. The title 4-thiazolidinones, N-(pyrazinyl substituted thiazoloylamino)-2-aryl-4-thiazolidinones () have been first time prepared using pyrazinamide as a starting material via five successive steps. The purity and the structures of the intermediates (carboethoxythiazole, acid hydrazide, and azomethines) and title thiazolidinones () have been confirmed by TLC and spectral analyses, respectively. An antitubercular screening of the new 4-thiazolidinones has been performed on bacterial strains, Mycobacterium tuberculosis H37Ra and Mycobacterium BCG using the solutions of different concentrations of the compounds () and the screening results are presented. Compound has displayed notable antitubercular activity.
}, doi = {10.1002/jhet.2552}, author = {Dhumal, Sambhaji T. and Deshmukh, Amarsinh R. and Khillare, Lalit D. and Arkile, Manisha A. and Sarkar, Dhiman and Mane, Ramrao A.} } @article {43266, title = {Synthesis and biological evaluation of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione as anti-mycobacterial agents}, journal = {Chemical Biology \& Drug Design}, volume = {90}, year = {2017}, month = {JAN}, pages = {200-209}, type = {Article}, abstract = {Resistance among dormant mycobacteria leading to multi-drug resistant (MDR) and extremely-drug resistant(XDR) tuberculosis is one of the major threats. Hence, a series of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione derivatives (4a-5c) have been synthesised and screened for their anti-tubercular activity against Mycobacterium tuberculosis H37Ra (H37Ra). Thetriazolethiones4b and 4v showed high anti-tubercular activity (both MIC and IC50) against the dormant H37Ra by in vitro and ex vivo. They were shown to have more specificity towards mycobacteria than other gram-negative and gram- positive pathogenic bacteria. The cytotoxicity was almost insignificant up to 100 μg/mL against THP-1, A549 and PANC-1 human cancer cell lines, and solubility was high in aqueous solution, indicating the potential of developing these compounds further as novel therapeutics against tuberculosis infection.}, doi = {10.1111/cbdd.12939}, author = {Sonawane, Amol and Rode, Navnath D. and Nawale, Laxman U. and Joshi, Rohini R. and Joshi, Ramesh A. and Likhite, Anjali P. and Sarkar, Dhiman} } @article {42938, title = {Synthesis and biological evaluation of new fluconazole β-lactam conjugates linked via 1,2,3-triazole}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {FEB}, pages = {470-479}, abstract = {
Novel 1,2,3-triazole-linked β-lactam{\textendash}fluconazole conjugates 12(a{\textendash}l) were designed and synthesized. The compounds showed potent antifungal activity against two pathogenic Candida strains; Candida albicans ATCC 24433 and Candida albicans ATCC 10231 with MIC values in the range of 0.0625{\textendash}2 μg mL-1. Compounds 12h, 12j and 12k showed promising antifungal activity against all the tested fungal pathogens except C. neoformans ATCC 34554 compared to fluconazole. Compound 12j in which the β-lactam ring was formed using para-anisidine and benzaldehyde was found to be more potent than fluconazole against all the fungal strains with an IC50 value of \<0.015 μg mL-1 for Candida albicans (ATCC 24433). Mechanistic studies for active compounds revealed that the antifungal action was due to ergosterol inhibition. Compounds 12h and 12j at a concentration of 0.125 μg mL-1 caused 91.5 and 96.8\% ergosterol depletion, respectively, compared to fluconazole which at the same concentration caused 49\% ergosterol depletion. The molecular docking study revealed that all the fluconazole β-lactam conjugates 12(a{\textendash}l) could snugly fit into the active site of lanosterol 14α-demethylase (CYP51) with varying degrees of affinities. As anticipated, the binding energy for compound 12j (-58.961 kcal mol-1) was much smaller than that for fluconazole (-52.92 kcal mol-1). The synthesized compounds have therapeutic potential for the control of candidemia.
}, doi = {10.1039/C6NJ03117J}, author = {Divse, Jaisingh M. and Mhaske, Santosh B. and Charolkar, Chaitanya R. and Sant, Duhita G. and Tupe, Santosh G. and Deshpande, Mukund V. and Khedkar, Vijay M. and Nawale, Laxman U. and Sarkar, Dhiman and Pore, Vandana S.} } @article {43261, title = {Synthesis and cell imaging applications of fluorescent mono/di/tri-heterocycl- yl-2,6-dicyanoanilines}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {27}, year = {2017}, month = {DEC}, pages = {979-988}, abstract = {
Synthesis of 3,4,5-triheterocyclyl-2,6-dicyanoanilines, starting from heterocyclic aldehydes and 1,2-diheterocycle-substituted ethanones, is described. 2,6-Dicyanoanilines with one or two heterocyclic substituents have also been synthesized. It was found that some of these molecules have selective cell-staining properties useful for cell imaging applications. The compounds 1g, 10f and 11 were found to stain cytoplasm of the cells in contact but not the nucleus while the compound 12 showed affinity to apoptotic cells resulting in blue fluorescence. The cell imaging results with compound 12 were similar to Annexin V-FITC, a known reagent containing recombinant Annexin V conjugated to green-fluorescent FITC dye, used for detection of apoptotic cells. These compounds were found to be non-cytotoxic and have potential application as cell imaging agents.
}, doi = {10.1016/j.bmcl.2016.12.074}, author = {Pisal, Mahesh M. and Annadate, Ritesh A. and Athalye, Meghana C. and Kumar, Dipak and Chavan, Subhash P. and Sarkar, Dhiman and Borate, Hanumant B.} } @article {45761, title = {Synthesis and characterization of D-2PA-Pd(II)@SBA-15 catalyst via {\textquoteleft}{\textquoteleft}click chemistry{\textquoteright}{\textquoteright}: highly active catalyst for Suzuki coupling reactions}, journal = {Journal of Porous Materials}, volume = {24}, year = {2017}, month = {APR}, pages = {327-340}, type = {Article}, abstract = {
Copper catalysed cycloaddition reaction between azide and terminal alkyne, called as {\textquoteleft}{\textquoteleft}click reaction{\textquoteright}{\textquoteright}, was found to be modular approach for the synthesis of facile, highly efficient and recoverable D-2PA-Pd(II)@SBA-15 catalyst. In efforts to synthesize the catalyst, the cycloaddition reaction between azido-functionalized mesoporous SBA-15 and N,N-dimethyl-2-propynylamine (D-2PA) has been carried out, followed by the complexation with PdCl2. To analyze physiochemical properties of synthesized materials, various characterization techniques such as CHN elemental analysis, X-ray diffraction, solid state C-13 and Si-29 NMR spectra, FT-IR, XPS, SEM, TEM and N-2 sorption analysis, TGA and DTA, UV-Vis spectroscopy have been carried out. The synthesized catalyst, D-2PA-Pd(II)@SBA-15, exhibited excellent catalytic activities with good product yield and high TON towards Suzuki coupling reaction of various aryl halides with phenylboronic acid. The effect of solvent, base and temperature on coupling reactions has also been described. The developed protocol offers recyclability of catalyst for multiple (four) times without any appreciable loss in stability and catalytic reactivity.
}, keywords = {Click reaction, Cycloaddition, mesoporous materials, SBA-15, Suzuki coupling}, issn = {1380-2224}, doi = {10.1007/s10934-016-0266-0}, author = {Pathak, Aruna and Singh, A. P.} } @article {42973, title = {Synthesis and characterization of polyhydrazides and poly(1,3,4-oxadiazole)s containing multiple arylene ether linkages and pendent pentadecyl chains}, journal = {High Performance Polymers}, volume = {29}, year = {2017}, month = {SEP}, chapter = {836-848}, abstract = {
A new diacylhydrazide monomer, namely, 4-(4-(4-(4-(hydrazinocarbonyl)phenoxy)-2-pentadecylphenoxy)phenoxy) benzohydrazide (HPPDPB), was synthesized starting from 4-(4-hydroxyphenoxy)-3-pentadecylphenol. HPPDPB was polycondensed with terephthalic acid chloride (TPC), isophthalic acid chloride (IPC) and a mixture of TPC and IPC (50:50 mol\%) to obtain polyhydrazides containing multiple arylene ether linkages in the backbone and pendent pentadecyl chains. Polyhydrazides were subsequently cyclized in the presence of phosphorus oxychloride to obtain the corresponding poly(1,3,4-oxadiazole)s. Polyhydrazides and poly(1,3,4-oxadiazole)s exhibited inherent viscosities in the range 0.65{\textendash}0.72 dL g-1 and 0.54{\textendash}0.62 dL g-1, respectively, which indicated the formation of reasonably high-molecular weight polymers. Polyhydrazides were soluble in polar aprotic solvents such as N,N-dimethylformamide, N,N-dimethylacetamide (DMAc), 1-methyl-2-pyrrolidinone and pyridine whereas poly(1,3,4-oxadiazole)s exhibited excellent solubility even in common organic solvents such as chloroform, dichloromethane and tetrahydrofuran. Tough, transparent and flexible films of polyhydrazides and poly(1,3,4-oxadiazole)s could be cast from DMAc and chloroform solutions, respectively. X-Ray diffraction studies revealed amorphous nature of polyhydrazides and poly(1,3,4-oxadiazole)s and the formation of layered structure was observed due to ordered packing of pentadecyl chains. The 10\% decomposition temperature (T 10) values for poly(1,3,4-oxadiazole)s were in the range 425{\textendash}440{\textdegree}C indicating their good thermal stability. Glass transition temperature (T g) values of polyhydrazides and poly(1,3,4-oxadiazole)s were in the range 175{\textendash}192{\textdegree}C and 92{\textendash}103{\textdegree}C, respectively. The excellent solubility characteristics and the large gap between T g (92{\textendash}103{\textdegree}C) and T 10 (425{\textendash}440{\textdegree}C) values give poly(1,3,4-oxadiazole)-containing pendent pentadecyl chains better opportunities for processability.
}, doi = {10.1177/0954008316660368}, author = {Tawade, Bhausaheb V. and Valsange, Nitin G. and Wadgaonkar, Prakash P.} } @article {44045, title = {Synthesis and characterization of six-membered pincer nickelacycles and application in alkylation of benzothiazole}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {AUG}, pages = {1161-1169}, type = {Article}, abstract = {
Six-membered pincer nickelacycle complexes have been synthesized and employed for the catalytic C{\textendash}H bond alkylation of benzothiazole. The pincer nickelacycle, {κP, κC, κP- (2 - iPr 2POCH 2-C 6H 3- 6 -CH 2OP iPr 2)} NiBr , [(iPr4-POCCCOP)NiBr(2)] was synthesized by the reaction of 1,3 - iPr 2POCH 2-C 6H 4-CH 2OP iPr 2[(iPr4-POCCCOP)-H(1)] with (CH3CN)2NiBr2 in the presence of Et 3N via the C(2){\textendash}H activation on ligand 1. Treatment of [(iPr4-POCCCOP)NiBr](2) with AgOAc afforded the complex [(iPr 4-POCCCOP) Ni (OAc)] (3) in good yield. Both the complexes 2 and 3 were characterized by 1H , 13C and 31P -NMR spectral analysis. Further, the molecular structures of complexes 2 and 3 were established by X-ray crystallography. The complex 2 was found to be an active catalyst for the C{\textendash}H bond alkylation of benzothiazole with alkyl halides containing β{\textendash}hydrogen atoms. Graphical abstract: Synopsis. Six-membered pincer nickelacycles have been synthesized and structurally characterized, which show catalytic activity for the C{\textendash}H bond alkylation of benzothiazole with alkyl halides containing β{\textendash}hydrogen atoms.[Figure not available: see fulltext.].
}, keywords = {Active catalyst, Alkyl halides, Alkylation, Atoms, Benzothiazole, Benzothiazoles, Catalyst activity, Chemical activation, Crystallography, C{\textendash}H activation, Hydrogen atoms, Nickelacycles, Pincer complex, Pincer complexessix-membered nickelacycle, six-membered nickelacycle, Spectrum analysis, Synthesis (chemical), Synthesis and characterizations, X ray crystallography}, issn = {0974-3626}, doi = {10.1007/s12039-017-1338-7}, author = {Pandiri, H. and Sharma, D.M. and Gonnade, R.G. and Punji, B.} } @article {43864, title = {Synthesis and tunable thermoresponsive solution morphologies of 2,2-bis-methylolpropionic acid dendron-azobenzene-poly(N-isopropyl acrylamide) copolymers}, journal = {Polymer International}, volume = {66}, year = {2017}, month = {JUL}, pages = {1084-1093}, type = {Article}, abstract = {Amphiphilic temperature- and photoresponsive linear-dendritic block copolymers comprising second-generation acetonide-2,2-bis-methylolpropionic acid-based polyester dendron and linear poly(N-isopropyl acrylamide) (PNIPAM) linked by an azobenzene unit were synthesized using atom transfer radical polymerization (ATRP) followed by click chemistry. Linear PNIPAM precursor was prepared from an azide-functionalized azobenzene containing ATRP initiator. Two polymers obtained by varying the chain length of the PNIPAM block showed different morphologies and lower critical solution temperature (LCST) values in aqueous solution. Complete change in morphology of the two polymers into large spherical aggregates and nanotubes, respectively, was observed upon heating the micellar solution above LCST. The azobenzene unit was found to undergo trans-cis photoisomerization in the assemblies and caused a change in the microenvironment of an encapsulated hydrophobic dye without any release. Acetonide groups on the dendron were deprotected to afford hydroxylated polymer that showed well-defined morphologies above the LCST and after heating-cooling cycle while significant dye encapsulation was seen only above the LCST. (c) 2017 Society of Chemical Industry}, doi = {10.1002/pi.5363}, author = {Kalva, Nagendra and Ambade, Ashootosh V.} } @article {44041, title = {Synthesis, antimycobacterial screening and molecular docking studies of 4-aryl-4'-methyl-2'-aryl-2,5'-bisthiazole derivatives}, journal = {Medicinal Chemistry Research}, year = {2017}, month = {JUL}, type = {Article}, abstract = {A series of 4-aryl-4'-methyl-2'-aryl-2,5'-bisthia- zole derivatives (5a{\textendash}o) were synthesized and screened for inhibitory activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743) strains. Five lead compounds (5e, 5f, 5g, 5h, and 5o) were further confirmed from their dose dependent effect against MTB and Bovine{\textendash}Calmette{\textendash}Guerin. The most promising compounds 5f (MIC90: 11.32 μg/mL), 5h (MIC90: 11.59 μg/mL), and 5o (MIC90: 23.64 μg/mL) showed strong antitubercular activity against dormant MTB and BCG as well as almost insignificant cytotoxicity up to 100μg/mL against HeLa, A549, and PANC-1 human cancer cell lines. Further, the synthesized compounds were found to have potential antibacterial activity against Gram-negative bac- teria, Escherichia coli, Pseudomonas flurescence and Gram- positive bacteria, Staphylococcus aureus, Bacillus subtilis. Most of the synthesized compounds showed moderateactivity against fungal strain Candida albicans. Molecular docking studies of these compounds showed significant interactions with crystal structure of the cytochrome P45014α-sterol demethylase (CYP51) PDB ID: 1E9X. Hydrogen bond interactions with SER261 and VAL395 are important interactions for selective inhibition of designed inhibitors. Compounds 5f, 5h, and 5o showed significant interactions with 1E9X. All the experimental results promote us to consider this series as a starting point for the devel- opment of novel, selective and more potent antitubercular agents in the future.}, doi = {10.1007/s00044-017-1988-5}, author = {Abhale, Yogita K. and Shinde, Abhijit D. and Deshmukh, Keshav K. and Nawale, Laxman U. and Sarkar, Dhiman and Choudhari, Prafulla B. and Kumbhar, Santosh S. and Mhaske, Pravin C.} } @article {43971, title = {Synthesis, antitubercular and antimicrobial potential of some new thiazole substituted thiosemicarbazide derivatives}, journal = {Medicinal Chemistry Research}, volume = {26}, year = {2017}, month = {JUN}, chapter = {2557-2567}, abstract = {
The increase in antibiotic resistance due to multiple factors has warranted the need for the search of new compounds which are active against multidrug resistant pathogens. In this context a small focused library of thiosemicarbazide derivatives of 2-arylthiazole-4-carbaldehyde, 4-methyl-2-arylthiazole-5-carbaldehyde and 1-(4-methyl-2-arylthiazol-5-yl) ethanone, (5a{\textendash}l) has been synthesized. The title compounds were screened for inhibitory activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis Bacille Calmette Guerin (ATCC 35743) strains. The synthesized compounds, 5a{\textendash}l were further assayed for their cytotoxic activity against the two human cancer cell lines, HeLa and human colon carcinoma 116 cell lines and showed no significant cytotoxic activity against these two cell lines at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antibacterial activity against Gram-negative bacteria, Escherichia coli, Pseudomonas flurescence and Gram-positive bacteria, Staphylococcus aureus, Bacillus subtilis. Most of the synthesized compounds showed moderate activity against fungal strain Candida albicans. This study provides valuable directions to our ongoing endeavor of rationally designing more potent antimycobacterial agent. {\textcopyright} 2017, Springer Science+Business Media, LLC.
}, keywords = {Antimicrobial activity, Antitubercular activit, Cytotoxicity, Thiazole, Thiosemicarbazide}, issn = {1054-2523}, doi = {10.1007/s00044-017-1955-1}, author = {Abhale, Y. K. and Shinde, A. and Deshmukh, K. K. and Nawale, L. and Sarkar, D. and Mhaske, P. C.} } @article {44091, title = {Synthesis, biological evaluation, and molecular docking studies of novel 3-aryl-5-(alkyl-thio)-1H-1,2,4-triazoles derivatives targeting Mycobacterium tuberculosis}, journal = {Chemical Biology \& Drug Design}, volume = {90}, year = {2017}, month = {DEC}, pages = {1206-1214}, type = {Article}, abstract = {A small library of new 3-aryl-5-(alkyl-thio)-1H-1,2,4-triazoles was synthesized and screened for the antimycobacterial potency against Mycobacterium tuberculosis H37Ra strain and Mycobacterium bovis BCG both in active and dormant stage. Among the synthesized library, 25 compounds exhibited promising anti-TB activity in the range of IC(50)0.03-5.88g/ml for dormant stage and 20 compounds in the range of 0.03-6.96g/ml for active stage. Their lower toxicity (>100g/ml) and higher selectivity (SI=>10) against all cancer cell lines screened make them interesting compounds with potential antimycobacterial effects. Furthermore, to rationalize the observed biological activity data and to establish a structural basis for inhibition of M.tuberculosis, the molecular docking study was carried out against a potential target MTB CYP121 which revealed a significant correlation between the binding score and biological activity for these compounds. Cytotoxicity and in vivo pharmacokinetic studies suggested that 1,2,4-triazole analogues have an acceptable safety index, in vivo stability and bio-availability.}, doi = {10.1111/cbdd.13040}, author = {Rode, Navnath D. and Sonawane, Amol D. and Nawale, Laxman and Khedkar, Vijay M. and Joshi, Ramesh A. and Likhite, Anjali P. and Sarkar, Dhiman and Joshi, Rohini R.} } @article {43792, title = {Synthesis, characterization and electrochemical investigations of mixed-ligand copper(II)-organic supramolecular frameworks}, journal = {Journal of Molecular Structure}, volume = {1147}, year = {2017}, month = {NOV}, pages = {549-557}, type = {Article}, abstract = {
Two mixed-ligand copper(II)-organic coordination compounds with 5,5{\textquoteright}-dimethyl-2,2{\textquoteright}-bipyridine (5,5{\textquoteright}-Me(2)bpy) as a primary ligand while aliphatic malonate (Hmal) and aromatic 2-hydroxynicotinate (2-OHNA) as secondary ligands, were synthesized. These complexes are formulated as: [Cu(Hmal)(5,5{\textquoteright}-Me(2)bPY)(H2O)](ClO4) 1 and [Cu-2(2-OHNA)(2)(5,5{\textquoteright}-Me(2)bpy)(2)(NO3)KNO3) 2. These two complexes were structurally characterized by single crystal X-ray diffraction analysis. Characterization was further supported by powder X-ray diffraction analysis, elemental analyses, FT-IR, FAB-MASS and TGA, DSC studies. Cyclic voltammetric and UV-visible spectral studies of these two complexes have also been done. The electrochemical studies of complex 1 in DMSO and DMF have shown that this complex undergoes quasi reversible diffusion-controlled one-electron transfer reaction without any chemical complication while complex 2 in DMSO undergoes quasi-reversible diffusion-controlled one electron transfer reaction, following EC mechanism. The electrochemical behaviour of complex 2 in DMF is complicated probably due to presence of more than one species in solution phase. (C) 2017 Elsevier B.V. All rights reserved.
}, keywords = {2 {\textquoteright}-bipyridine, 3, 5, 5 {\textquoteright}-dimethyl-2, 5-Tricarboxylic acid, Benzene-1, classification, Co-ordination-Compounds, Crystal-structures, cyclic voltammetry, magnetic properties, metal organic framework, Mixed-ligand complex, pi-pi stacking interaction, Polymers, Secondery Building Unit, Structural data, Supramolecular framework, Ternare Komplexe, X-ray diffraction}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2017.06.128}, author = {Singh, Sandeep K. and Srivastava, Ashish Kumar and Srivastava, Krishna and Banerjee, Rahul and Prasad, Jagdish} } @article {43788, title = {Synthesis of amphiphilic isoindigo co-polymers for organic field effect transistors: A comparative study}, journal = {Journal of the apllied polymer science}, volume = {134}, year = {2017}, month = {NOV}, chapter = {45461}, abstract = {
In this work, the amphiphilic isoindigo (am-iInd) based conjugated polymers namely poly(am-iInd-DT) and poly(am-iInd-TT) and their regular counterpart poly(reg-iInd-DT) and poly(reg-iInd-TT) were synthesized to compare their opto-electronic and charge transport properties. They were used to fabricate organic field effect transistors. Charge transport properties in conjugated polymers depend upon intermolecular interaction which is strongly affected by the nature of side chains. The amphiphilic nature of the conjugated polymers has little impact on the charge transport properties. The charge carrier mobility of amphiphilic conjugated polymers was comparable with the regular polymers except poly(reg-iInd-DT) which can be correlated by X-ray diffraction and thin film morphology. (c) 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45461.
}, keywords = {Alkyl, Applications; Conducting polymers; Copolymers; Optical and Photovoltaic applications, conjugated polymers, High-performance, mobility, Packaging, Semicondoctors, Side-chains, Solar-cells, Thin-film Transformer}, issn = {0021-8995}, doi = {10.1002/app.45461}, author = {Dharmapurikar, Satej S. and Arulkashmir, Arulraj and Mahale, Rajashree Y. and Chini, Mrinmoy Kumar} } @article {43361, title = {Synthesis of annulated bis-indoles through Au(I)/br{\o}nsted acid-catalyzed reactions of (1H-indol-3-yl)(aryl)methanols with 2-(arylethynyl)-1H-indoles}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {DEC}, pages = {863 - 869}, abstract = {A general method to access annulated bis-indoles from (1H-indol-3-yl)(aryl)methanols and 2-(arylethynyl)-1H-indoles under the catalysis of the Ph3PAuOTf/Br{\o}nsted acid binary catalyst system has been developed. The reaction was found to proceed in a highly efficient manner and benefit from easy-to-make starting materials, broad substrate scope and operational simplicity. The potential of this method has also been exemplified for the synthesis of pyrrole-annulated indoles using 2-(phenylethynyl)-1H-indoles and phenyl(1H-pyrrol-2-yl)methanols. Furthermore, the use of a ternary catalyst system, involving PdCl2/Br{\o}nsted acid/Ph3PAuOTf catalysts, has been realized for the synthesis of annulated bis-indoles starting directly from 2-(phenylbuta-1,3-diyn-1-yl)aniline and (1H-indol-3-yl)(aryl)methanol. Mechanistically, this reaction is very interesting since the overall process involves three different catalytic cycles catalyzed by three different catalysts in a relay fashion.}, doi = {10.1039/C6OB02595A}, author = {Patil, Nitin T. and Inamdar, Suleman M. and Gonnade, Rajesh Ghanshyam} } @article {43924, title = {Synthesis of copper nanoparticles in presence of surfactants and evaluation of heat transfer performance of copper nanofluid}, journal = {Journal of Nanofluids}, volume = {6}, year = {2017}, month = {APR}, pages = {334-342}, type = {Article}, abstract = {
Copper nanoparticles were synthesized by reduction of copper nitrate hexahydrate using glucose as a green reducing agent. Effect of various synthesis parameters such as the amount of reducing agent, type of surfactant, the concentration of surfactant on particle size and morphology has been studied. Particles thus synthesized were characterized using analytical tools like X-ray Diffraction (XRD), Dynamic Light Scattering (DLS) and Scanning Electron Microscopy (SEM). XRD results show copper peaks at 2 angles 43.34, 50.48 and 74.19{\textdegree} corresponding to the planes (111), (200) and (220) respectively and possessing FCC (Face Centred Cubic) crystal lattice and polydispersed particles with crystallite size ranging from 43 to 103 nm. Further Cu nanoparticles were dispersed in water to prepare nanofluid and heat transfer properties such as heat transfer coefficient, viscosity and density were evaluated. Nanofluid models proposed elsewhere were also used for theoretical property evaluations. Nearly 100\% increase in heat transfer coefficient was observed at 1\% (by volume) particle concentration of copper nanoparticles in water.
}, keywords = {Chemical Reduction, Copper nanoparticles, green synthesis, Nanofluids, surfactant}, issn = {2169-432X}, doi = {doi.org/10.1166/jon.2017.1316}, author = {Kapadnis, Chetan V. and Gundeli, Kartik P. and Saini, Daulat R. and Bhatkhande, Dhananjay S.} } @article {43526, title = {Synthesis of extended conjugated indolyl chalcones as potent anti-breast cancer, anti-inflammatory and antioxidant agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {27}, year = {2017}, month = {APR}, pages = {1502-1507}, abstract = {In the present investigation, synthesis of a series of extended conjugated delta-chloro-alpha-cyano substituted indolyl chalcones (5a-p) was accomplished by reacting 3-cyanoacetylindole 2 with 3-chloro-3-phenylpropenal 4 in the presence of piperidine. The structural interpretations of newly synthesized compounds were based on chemical and spectroscopic evidences. Anti-tumor evaluation of the synthesized compounds in vitro against MCF-7 (breast carcinoma) cell line revealed that they possess high anti-tumor activities. Among them, compound 5e and 5a demonstrated excellent activity against breast carcinoma (GI(50) <0.1 and mu M respectively) as good as adriamycin (GI(50) <0.1 mu M). The compounds were also screened against the normal Vero monkey cell line, which showed moderate selectivity against inhibition of cancer cells. The effect of extended conjugation on activity authenticated by comparing activity profile of compound 5a, 5i and 5m with their simple analogues. Among the synthesized compounds, 5i and 51 were found to be active anti-inflammatory agents in addition to having noteworthy antioxidant potential. These results suggest the possible use of these compounds for the design and development of novel anti breast cancer agents. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.bmcl.2017.02.052}, author = {Bhale, Pravin S. and Chavan, Hemant V. and Dongare, Sakharam B. and Shringare, Sadanand N. and Mule, Yoginath B. and Nagane, Samadhan S. and Bandgar, Babasaheb P.} } @inbook {45775, title = {Synthesis of fluorinated heterocycles via multicomponent reactions}, booktitle = {Multicomponent reactions: synthesis of bioactive heterocycles}, year = {2017}, pages = {183-199}, publisher = {CRC Press}, organization = {CRC Press}, chapter = {Synthesis of fluorinated heterocycles via multicomponent reactions}, abstract = {Fluorine is one of the most important elements in the periodic table because it is the most electronegative element, makes the strongest C-F bond, and is more polarized in organic synthesis. These unique and distinctive properties of fluorine make it very useful and widely applicable in the pharmaceutical and agrochemical industries. Hydrogen replaced with the fluorine of an organic compound can tune the pharmacokinetic and pharmacological properties of the molecule, which improve solubility, membrane permeability, 184metabolic stability, and receptor-binding properties compared with nonfluorinated analogs.1 Due to these unique properties of fluorine, organofluorine compounds are very applicative in medicinal, pharmaceutical, agrochemical, and material chemistry. This wide applicability of fluorine and organofluorine compounds attracts the attention of researchers and chemists. Labeled fluorine-18 is one of the most commonly used positron emitting radioisotopes in positron emission tomography (PET) imaging technology, which can detect presymptomatic biochemical changes in body tissues. In addition to its use in PET-CT, fluorine is used in preparation of chemically resistant polymer materials such as polytetrafluoroethylene (Teflon) or polarity to piezoelectric material such as polyvinylidene fluoride and organic liquid crystals for displays. Because of these many advantages of fluorine, organic chemists have developed various methods to introduce fluorine in organic molecules. During the last two decades, numerous organofluorine heterocyclics have been developed; in this chapter, we have summarized synthesis of multicomponent reactions (MCRs) in application of fluorine compound synthesis.}, issn = { 978-149873419-6}, doi = {10.1201/9781315369754}, author = {Shinde, S. S. and Thore, S. N. and Pawar, R. P. and Ameta, K. L. and Patil, S. N.} } @inbook {45804, title = {Synthesis of functional polymers of polar and nonpolar monomers by living and/or controlled polymerization}, booktitle = {Functional polymers: design, synthesis, and applications}, year = {2017}, pages = {3-56}, publisher = {Apple Academic Press}, organization = {Apple Academic Press}, chapter = {Synthesis of functional polymers of polar and nonpolar monomers by living and/or controlled polymerization}, isbn = {978-177188297-2}, issn = {978-177188296-5}, doi = {10.1201/9781315366524}, author = {Chowdhury, S. R. and Sivaram, S.} } @article {43565, title = {Synthesis of functionalized β-keto arylthioethers by the aryne induced [2,3] Stevens rearrangement of allylthioethers}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {MAR}, pages = {4470{\textendash}4476}, type = {Article}, chapter = {4470{\textendash}4476}, abstract = {A mild and transition-metal-free synthesis of β-keto arylthioethers has been developed by the aryne triggered [2,3] Stevens rearrangement of allylthioethers. The key sulfur ylide intermediate for the rearrangement was formed by the S-arylation of allylthioethers with arynes generated from 2-(trimethylsilyl)aryl triflates using CsF. Later, the reaction products are converted into valuable heterocycles in two steps.}, doi = {10.1021/acs.joc.7b00479}, author = {Thangaraj, Manikandan and Gaykar, Rahul N. and Roy, Tony and Biju, Akkattu T.} } @article {43686, title = {Synthesis of gamma-WO3 thin films by hot wire-CVD and investigation of its humidity sensing properties}, journal = {Physica Status Solidi A-Applications and Materials Science}, volume = {214}, year = {2017}, month = {MAY}, pages = {Article Number: 1600717}, type = {Article}, abstract = {In this study, monoclinic tungsten oxide (gamma-WO3) have been grown in a single step using HW-CVD method by resistively heating W filaments in a constant O-2 pressure. The formation of gamma-WO3 was confirmed using low angle-XRD and Raman spectroscopy analysis. Low angle-XRD analysis revealed that as-deposited WO3 film are highly crystalline and the crystallites have preferred orientation along the (002) direction. HRTEM analysis and SAED pattern also show the highly crystalline nature of WO3 with d spacing of similar to 0.38 nm, having an orientation along the (002) direction. Surface topography investigated by SEM analysis shows the formation of a uniform and homogeneous cauliflower like morphology throughout the substrate surface without flaws and cracks. A humidity sensing device incorporating WO3 is also fabricated, which shows a maximum humidity sensitivity factor of similar to 3954\% along with a response time of similar to 14 s and a recovery time of similar to 25 s. The obtained results demonstrate that it is possible to synthesize WO3 in a single step by HW-CVD method and to fabricate a humidity sensor by using it. (C) 2017 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim}, doi = {10.1002/pssa.201600717}, author = {Jadkar, Vijaya and Pawbake, Amit and Waykar, Ravindra and Jadhavar, Ashok and Date, Abhijit and Late, Dattatray and Pathan, Habib and Gosavi, Suresh and Jadkar, Sandesh} } @article {43893, title = {Synthesis of isohexide-di(ether-ene)s and ADMET polymerization}, journal = {Green Materials}, volume = {5}, year = {2017}, month = {JUN}, type = {Article}, abstract = {As the fossil fuel reserves deplete and the greenhouse gases increase, the scientific community is challenged to provide sustainable solutions. Sugar-based isohexides can be modified to prepare a library of isohexide-diene monomers for polymerization. Such isohexide diene monomers can be subjected to Acyclic Diene Metathesis Polymerization to obtain green materials. Here we report a single step synthetic protocol to access a small family of isohexide-di(ether-ene)s and the corresponding polymers. The isohexide di(ether-ene)s 2a-2c could be isolated in good to excellent yields under optimized conditions. The resultant isohexide-di(ether-ene)s 2a-2c are potential versatile building blocks for pharmaceuticals and material science. The synthetic utility of 2a-2c was demonstrated by subjecting them to ADMET polymerization using Grubbs 1st and 2nd generation catalysts. The resultant viscous material was evaluated using 1H NMR and MALDI-ToF-MS, which suggests the formation of anticipated ADMET polymers}, doi = {10.1680/jgrma.16.00017}, author = {Rajput, Bhausaheb S. and Lekshmy, Kalpakasseril Girija and Menon, Shamal K. and Chikkali, Samir H.} } @article {43815, title = {Synthesis of meta-substituted monodentate phosphinite ligands and implication in hydroformylation}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {AUG}, pages = {1143-1152}, type = {Article}, abstract = {Synthesis of meta-substituted phosphinite ligands 3,3{\textquoteright}-(methoxyphosphanediyl) bis(N, N-diethylaniline) (4a) and methoxybis(3-methoxyphenyl) phosphane (4b), in high yields, has been demonstrated. Typical phosphorus chemical shift between 110-120 ppm, appearance of methoxy protons and corresponding carbon, as well as ESI-MS spectra unambiguously confirmed the existence of phosphinite ligands 4a and 4b. To demonstrate the synthetic usefulness of 4a and 4b, these ligands were tested in the rhodium catalyzed hydroformylation of 1-octene. The diethylamine substituted ligand 4a was found to be highly active, whereas 4bwas less reactive but revealed slightly better regioselectivity of 62\% under optimized conditions. Additionally, 4a and 4b were found to catalyze the hydroformylation of styrene, 1-undecenol and 1,1-disubstituted functional olefin, methyl methacrylate. Both the ligands displayed excellent conversion of styrene, and 4b revealed an excellent branch selectivity of 75\%. Although 1-undecenol proved to be amenable to hydroformylation (85-90\% conversion to aldehyde), both the ligands failed to discriminate between the linear and branched products. Substrate methyl methacrylate proved to be highly challenging and reduced conversion (between 33-42\%) was observed under optimized conditions. Ligand 4a was found to be highly selective towards linear aldehyde (81\% linear selectivity).}, doi = {10.1007/s12039-017-1341-z}, author = {Deshmukh, Satej S. and Gaikwad, Shahaji R. and Pandey, Swechchha and Mali, Pramod S. and Chikkali, Samir H.} } @article {45680, title = {Synthesis of methyl-protected (+/-)-chlorizidine A}, journal = {Organic Letters}, volume = {19 }, year = {2017}, month = {MAY}, pages = {2774-2776}, type = {Article}, chapter = {10 }, abstract = {The first total synthesis of the methyl-protected (+/-)-chlorizidine A has been achieved in 10 steps. Pd-catalyzed decarboxylative coupling and late-stage oxidation were utilized to, construct the 5H-pyrrolo[2,1-a]isoindol-5-one scaffold. Samarium(II) iodide mediated Reformatsky reaction and intramolecular Mitsunobu reactions were efficiently applied for the synthesis of the 2,3-dihydropyrrolizine ring system. Chlorizidine A is highly prone to degradation; hence, methyl-protected (+/-)-chlorizidine A was prepared.}, doi = {10.1021/acs.orglett.7b01090}, author = {Mahajan, Jyoti P. and Mhaske, Santosh B.} } @article {42943, title = {Synthesis of novel triazole-incorporated isatin derivatives as antifungal, antitubercular, and antioxidant agents and molecular docking study}, journal = {Journal of Heterocyclic Chemistry}, volume = {54}, year = {2017}, month = {JAN}, type = {Article}, abstract = {
A library of 1,2,3-triazoles efficiently prepared via click chemistry and evaluated for their antifungal, antitubercular, antioxidant, cytotoxicity, molecular docking and ADME prediction.
}, doi = {10.1002/jhet.2598}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Nawale, Laxman and Arkile, Manisha A. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {43730, title = {Synthesis of o-methyl trifluoromethyl sulfide substituted benzophenones via 1,2-difunctionalization of aryne by insertion into the C-C bond}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {APR}, pages = {2134-2137}, type = {Article}, abstract = {An efficient process for the preparation of valuable o-methyl trifluoromethyi sulfide substituted benzopheriones has been developed. The transition-metal-free method features insertion of aryne into a C-C sigma-bond under mild reaction conditions for the first time to achieve ortho-difunctionalized arenes containing a pharmaceutically important trifluoromethylthio functional group. A wide substrate, scope has been demonstrated for the developed protocol.}, doi = {10.1021/acs.orglett.7b00768}, author = {Ahire, Milind M. and Khan, Ruhima and Mhaske, Santosh B.} } @article {44033, title = {Synthesis of orthorhombic-molybdenum trioxide (α-MoO3) thin films by hot wire-CVD and investigations of its humidity sensing properties}, journal = {Journal of Materials Science Materials in Electronics}, volume = {1}, year = {2017}, month = {JUL}, type = {Article}, abstract = {In present work, we report synthesis of orthorhombic-molybdenum trioxide (α-MoO 3) thin films using home-build hot wire-CVD (HW-CVD) method simply by heating the Mo filament in a controlled O 2 atmosphere. The formation of α-MoO 3 was confirmed by low angle-XRD and Raman spectroscopy. Low angle-XRD analysis revealed that α-MoO 3 crystallites have orientations along (110), (101) and (111) directions while Raman spectroscopy analysis shows two prominent vibrational modes ~819 and ~994 cm -1 associated with Mo 2{\textendash}O and Mo=O respectively. SEM and TEM analysis show the formation of nano-sheets like morphology of α-MoO 3 thin films. The SAED pattern shows highly crystalline nature of α-MoO 3. The humidity-sensing properties were investigated at room temperature by fabricating the two probe device. The humidity sensing results showed n-type behavior of α-MoO 3. The maximum humidity sensitivity of ~6957\% along with response time of ~66 s and recovery time of ~5 s were observed for α-MoO 3 thin film humidity sensor device. Our results have opened up a new avenue to grow α-MoO 3 for humidity sensor applications.}, doi = {10.1007/s10854-017-7473-6}, author = {Jadkar, Vijaya and Pawbake, Amit S. and Waykar,Ravindra G. and Jadhavar, Ashok Arjun and Mayabadi, Azam and Date, Abhijit and Late, Dattatray J. and Pathan, Habib M. and Gosavi, Suresh W. and Jadkar, Sandesh R.} } @article {44412, title = {Synthesis of succinimide derivatives by NHC-catalyzed stetter reaction of aromatic aldehydes with N-substituted itaconimides}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {OCT}, pages = {6598{\textendash}6604}, abstract = {
An N-heterocyclic carbene-catalyzed intermolecular Stetter reaction of aromatic aldehydes with N-substituted itaconimides has been developed. A delicate balance between the Stetter reaction and the competing isomerization of the itaconimide double bond has been achieved in this operationally simple reaction to afford valuable new succinimide derivatives containing 1,4 and 1,5 dicarbonyl scaffolds in good to excellent yields. The reaction tolerates variable substituents on both aldehydes and N-substituted itaconimides.
}, doi = {10.1021/acsomega.7b01213}, author = {Ahire, Milind M. and Mhaske, Santosh B.} } @article {44019, title = {Synthesis of water soluble CdS nanoparticles and study of their DNA damage activity}, journal = {Arabian Journal of Chemistry}, volume = {10}, year = {2017}, month = {MAY}, pages = {3929-S3935}, type = {Article}, abstract = {
This study reports a novel method for preparation of water soluble CdS nanoparticles using leaf extract of a plant, Asparagus racemosus. The extract of the leaf tissue which worked as a stabilizing and capping agent, assisted the formation of nanoparticles. Nanoparticles were characterized using a UV{\textendash}vis spectrophotometer, Photoluminescence, TEM, EDAX, XRD and FT-IR. Transmission electron microscopy followed by selected area electron diffraction pattern analysis indicated the formation of spherical, polydispersed, crystalline, CdS of diameter ranging from 2 to 8 nm. X-ray diffraction studies showed the formation of 1 1 1, 2 2 0 and 3 1 1 planes of face-centered cubic (fcc) CdS. EDAX analysis confirmed the presence of Cd and S in nanosphere. The cytotoxicity test using MTT assay as well as DNA damage analysis using comet assay revealed that synthesized nano CdS quantum dots (QDs) caused less DNA damage and cell death of lymphocytes than pure CdS nanoparticles.
}, issn = {1878-5352}, doi = {10.1016/j.arabjc.2014.05.033}, author = {Prasad, K. S. and Amin, T. and Katuva, S. and Kumari, Madhu and Selvaraj, Kaliaperumal} } @article {44125, title = {Synthesis route to pyrrolones from -cyano ,-unsaturated ketones and -isocyano esters by oxidative dearomatization of 2-aminofuran intermediates}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {NOV}, pages = {6427-6433}, type = {Article}, abstract = {An efficient method for the catalyst/promoter-free synthesis of tetrasubstituted furan derivatives proceeding through the [4+1] cycloaddition of isocyanoacetates with electron-deficient olefins was developed. The products were obtained in good to excellent yields without any column chromatography. Oxidative dearomatization of these furans was achieved only in the presence of oxygen, which led to pyrrolones in high yields.}, doi = {10.1002/ejoc.201701194}, author = {Mahida, Anil K. and Kale, Someshwar B. and Das, Utpal} } @article {45705, title = {Synthesis, structure and DNA interaction studies of bisphosphoramides: theoretical and experimental insights}, journal = {Inorganica Chimica Acta}, volume = {461}, year = {2017}, month = {MAY }, pages = {84-91}, type = {Article}, abstract = {
New bisphosphoramides (having phenyl (EDAPOPh(2)) and ethoxy (EDADEP) substituents attached to phosphoryl groups bridged with ethylenediamine spacer) are synthesized and structurally characterized by spectroscopic techniques as well as elemental analysis. The molecular structure of EDAPOPh(2) was determined by single crystal X-ray diffraction technique. The interaction of these bisphosphoramides with calf thymus DNA (ct-DNA) is investigated using UV-Visible absorption and fluorescence spectral data as well as the DFT calculations. These studies reveal that EDAPOPh(2) and EDADEP interact with DNA in a partial intercalation mode. The intrinsic binding constants K-b of two different bisphosphoramides with ct-DNA were determined by fluorescence spectroscopy as 2.08 x 10(4) and 3.86 x 10(4) M-1 respectively. The results indicated that the two compounds bind to ct-DNA with different binding affinities, i.e. EDAPOPh(2) \> EDADEP. The binding mechanism of these bisphosphoramides to ct-DNA is also discussed. (C) 2017 Elsevier B.V. All rights reserved.
}, keywords = {Bisphosphoramides, crystal structure, DNA interaction, Molecular docking}, issn = {0020-1693}, doi = {10.1016/j.ica.2017.02.017}, author = {Goud, E. Veerashekhar and Sivaramakrishna, Akella and Vijayakrishna, Kari and Rao, C. V. S. Brahmmananda and Khedkar, Vijay M. and Jha, Prakash C.} } @article {44166, title = {Synthetic manipulation of hybrid perovskite systems in search of new and enhanced functionalities}, journal = {ChemSusChem}, volume = {10}, year = {2017}, month = {OCT}, pages = {3722-3739}, type = {Article}, abstract = {Over the past few years the organic-inorganic hybrid perovskite systems have emerged as a promising class of materials for photovoltaic and electroluminescent thin-film device applications, in view of their unique set of tunable optoelectronic properties. Importantly, these materials can be easily solution-processed at low temperatures and as such are amenable to facile molecular engineering. Thus, a variety of low-dimensional forms and quantum structures of these materials can be obtained through strategic synthetic manipulations through small molecule incorporation or molecular ion doping. In this Minireview, we specifically focus on these approaches and outline the possibilities of utilizing these for enhanced functionalities and newer application domains.}, doi = {10.1002/cssc.201701093}, author = {Naphade, Rounak and Nagane, Satyawan and Bansode, Umesh and Tathavadekar, Mukta and Sadhanala, Aditya and Ogale, Satishchandra} } @article {45683, title = {Systematic comparison of the response properties of protein and RNA mediated gene regulatory motifs}, journal = {Molecular BioSystems}, volume = {13 }, year = {2017}, month = {JUN}, pages = {1235-1245}, type = {Article}, abstract = {We present a framework enabling the dissection of the effects of motif structure (feedback or feedforward), the nature of the controller (RNA or protein), and the regulation mode (transcriptional, post-transcriptional or translational) on the response to a step change in the input. We have used a common model framework for gene expression where both motif structures have an activating input and repressing regulator, with the same set of parameters, to enable a comparison of the responses. We studied the global sensitivity of the system properties, such as steady-state gain, overshoot, peak time, and peak duration, to parameters. We find that, in all motifs, overshoot correlated negatively whereas peak duration varied concavely with peak time. Differences in the other system properties were found to be mainly dependent on the nature of the controller rather than the motif structure. Protein mediated motifs showed a higher degree of adaptation i.e. a tendency to return to baseline levels; in particular, feedforward motifs exhibited perfect adaptation. RNA mediated motifs had a mild regulatory effect; they also exhibited a lower peaking tendency and mean overshoot. Protein mediated feedforward motifs showed higher overshoot and lower peak time compared to the corresponding feedback motifs.}, doi = {10.1039/c6mb00808a}, author = {Iyengar, Bharat Ravi and Pillai, Beena and Venkatesh, K. V. and Gadgil, Chetan J.} } @article {43900, title = {Tailoring the properties of mPEG-PLLA nanoparticles for better encapsulation and tuned release of the hydrophilic anticancer drug}, journal = {Drug Delivery and Translational Research}, volume = {7}, year = {2017}, month = {JUN}, pages = {416-427}, type = {Article}, abstract = {Gemcitabine is used as a first-line drug for treating many solid tumours. However, it suffers from a major drawback of strong side effects and short plasma half-life because of degradation by enzyme when administered intravenously. Polyesters and copolyesters are the most widely used and preferred class of biodegradable polymer. In the present work, efforts have been made to prepare poly(ethylene glycol) monomethoxy ether-poly(l-lactide) (mPEG-PLLA), a biodegradable amphiphilic copolymer with a view to improve the entrapment and tuned release of hydrophilic drug gemcitabine. The different mPEG-PLLA copolymers were synthesized with the varying ratios of mPEG and characterized by different techniques namely FTIR and {\textonesuperior}H NMR spectroscopy, solution viscosity, differential scanning calorimetry (DSC) and gel permeation chromatography (GPC). Gemcitabine-loaded nanoparticles were prepared using mPEG-PLLA copolymers by two methods i.e. nanoprecipitation and double emulsion solvent evaporation. The nanoprecipitation method showed very less entrapment and polymer solubility in the acetone-water mixture leading to uncontrolled polymer precipitation. The difficulties encountered in the nanoprecipitation method were overcome with the help of the double emulsion (w/o/w) solvent evaporation technique. It has been observed from the results that biodegradable copolymer nanoparticles protect the drug from degradation and also help in controlling the release of encapsulated drug. The properties of nanoparticles can be tailored by varying the composition of mPEG in order to get improved entrapment efficiency and desired drug release. The nanoparticles were assessed for their in vitro cytotoxicity (MTT and FACS) and cellular uptake (fluorescence microscopy) study which showed very promising results. Nanoparticles were also studied for their in vivo release after intravenous administration to Wistar albino rats, which successfully showed controlled drug release for more than 14 days.}, doi = {10.1007/s13346-017-0372-9}, author = {Surwase, Sachin S. and Munot, Neha Manish and Idage, Bhaskar B. and Idage, Susheela B.} } @article {45746, title = {Tandem synthesis of glycidol via transesterification of glycerol with DMC over Ba-mixed metal oxide catalysts}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {5}, year = {2017}, month = {FEB}, pages = {1763-1774}, type = {Article}, abstract = {Glycerol carbonate (GC) and glycidol (GD) are commercial products possible from glycerol transformation, which has become a subject of great importance. Among several basic catalysts screened in this work, BaO showed the highest glycerol conversion of 71\% with almost complete selectivity to GC. A tandem synthesis of GD with a selectivity as high as 80\% with 98\% glycerol conversion could be achieved with mixed oxides of Ba and lanthanides (La and Ce) prepared by the coprecipitation method. Although BaO alone showed the highest basicity as measured by CO2 TPD, tuning of basicity by incorporation of CeO2 resulted in the formation of GD. Incorporation of Ba into the ceria matrix induced oxygen vacancies in the cerium oxide material. The presence of u"/v" doublets at 888.7 and 903.2 eV, respectively, in XPS of the Ba-Ce sample also confirmed the oxygen vacancies in the lattice. In this tandem approach to GD, the subsequent decarboxylation of initially formed GC was due to the presence of a CeO2 lattice with defects, which is known to be the best for CO2 adsorption. Increase in both catalyst loading and temperature showed a dramatic enhancement in GD selectivity. A plausible reaction pathway for the transesterification of glycerol with DMC to give GC followed by its decarboxylation to GD is also proposed based on the structural characterization and activity studies.}, doi = {10.1021/acssuschemeng.6b02520}, author = {Kondawar, S. E. and Patil, C. R. and Rode, C. V.} } @article {43533, title = {Targeted drug delivery in covalent organic nanosheets (CONs) via sequential postsynthetic modification}, journal = {Journal of the American Chemical Society}, volume = {139}, year = {2017}, month = {MAR}, pages = {4513-4520}, abstract = {Covalent organic nanosheets (CONs) have emerged as a new class of functional two-dimensional (2D) porous organic polymeric materials with a high accessible surface, diverse functionality, and chemical stability. They could become versatile candidates for targeted drug delivery. Despite their many advantages, there are limitations to their use for target specific drug delivery. We anticipated that these drawbacks could be overturned by judicious postsynthetic modification steps to use CONs for targeted drug delivery. The postsynthetic modification would not only produce the desired functionality, it would also help to exfoliate to CONs as well. In order to meet this requirement, we have developed a facile, salt-mediated synthesis of covalent organic frameworks (COFs) in the presence of p-toluenesulfonic acid (PTSA). The COFs were subjected to sequential postsynthetic modifications to yield functionalized targeted CONs for targeted delivery of 5-fluorouracil to breast cancer cells. This postsynthetic modification resulted in simultaneous chemical delamination and functionalization to targeted CONs. Targeted CONs showed sustained release of the drug to the cancer cells through receptor mediated endocytosis, which led to cancer cell death via apoptosis. Considering the easy and facile COF synthesis, functionality based postsynthetic modifications, and chemical delamination to CONs for potential advantageous targeted drug delivery, this process can have a significant impact in biomedical applications.}, doi = {10.1021/jacs.7b00925}, author = {Mitra, Shouvik and Sasmal, Himadri Sekhar and Kundu, Tanay and Kandambeth, Sharath and Math, Kavya and Diaz Diaz, David and Banerjee, Rahul} } @inbook {43985, title = {Targeted quantification of the glycated peptides of human serum albumin}, booktitle = {Methods in Molecular Biology }, year = {2017}, pages = {403-416}, chapter = {Serum/Plasma Proteomics}, abstract = {
Glycated human serum albumin (HSA) serves as an important marker for monitoring the glycemic status. Developing methods for unambiguous identification and quantification of glycated peptides of HSA using high-throughput technologies such as mass spectrometry has a great clinical significance. The following protocol describes the construction of reference spectral libraries for Amadori-modified lysine (AML), N(ε)-(carboxymethyl) lysine (CML)-, and N(ε)-(carboxyethyl)lysine (CEL)-modified peptides of synthetically modified HSA using high-resolution mass spectrometers. The protocol also describes work flows, for unambiguous identification and quantification of glycated modified peptides of HSA in clinical plasma using standard spectral libraries by various mass spectrometry approaches such as parallel reaction monitoring (PRM), sequential window acquisition of all theoretical fragment ion spectra (SWATH), and MSE.
}, doi = {10.1007/978-1-4939-7057-5_28}, author = {Garikapati, Vannuruswamy and Korwar, Arvind M. and Jagadeeshaprasad, Mashanipalya G. and Kulkarni, Mahesh J.} } @inbook {44491, title = {Targeting RNA G-Quadruplexes for potential therapeutic applications}, booktitle = {Topics in Medicinal Chemistry}, year = {2017}, pages = {177-206}, publisher = {Springer Verlag}, organization = {Springer Verlag}, abstract = {
RNA G-quadruplexes are non-canonical structures formed in G-rich regions of transcriptome. Considerable research points towards the potential role for these dynamic structures in various genes involved in multiple pathways. The ability of these structures to influence important biological processes has been demonstrated in few selected important genes and more recently in a global manner across the transcriptome. RNA G-quadruplexes are implicated in fundamental processes such as translational regulation, alternative splicing, mRNA transport and telomere homeostasis to name a few. The involvement of these structures in key biological processes makes them attractive targets for therapeutic interventions. Here we discuss the structural features of RNA G-quadruplex that make it more monomorphic to develop ligands unlike the polymorphic DNA G-quadruplexes. Furthermore, the role of RNA G-quadruplexes in important genes involved in diseases and disorders such as neurodegeneration, cancer and viral infections has been highlighted. A summary of ligands and their established roles in targeting RNA G-quadruplex structures has been discussed in context of important processes. Moreover, we highlight the need to develop ligands that are highly specific in targeting RNA G-quadruplexes, a new target to restore homeostasis in dysregulated conditions.
}, doi = {10.1007/7355_2016_22}, author = {Pandey,Satyaprakash and Agarwala, Prachi and Maiti,Souvik} } @article {43375, title = {Temperature and pH dual stimuli responsive PCL- b -PNIPAAm block copolymer assemblies and the cargo release studies}, journal = {Journal of Polymer Science Part A Polymer Chemistry}, volume = {55}, year = {2017}, month = {FEB}, pages = {1383-1396}, type = {Article}, chapter = {1383-1396}, abstract = {A new atom transfer radical polymerization (ATRP) initiator, namely, 2-(1-(2-azidoethoxy)ethoxy)ethyl 2-bromo-2-methylpropanoate containing both {\textquotedblleft}cleavable{\textquotedblright} acetal linkage and {\textquotedblleft}clickable{\textquotedblright} azido group was synthesized. Well-defined azido-terminated poly(N-isopropylacrylamide)s (PNIPAAm-N3)s with molecular weights and dispersity in the range 11,000{\textendash}19,000 g mol-1 and 1.20{\textendash}1.28, respectively, were synthesized employing the initiator by ATRP. Acetal containing PCL-b-PNIPAAm block copolymer was obtained by alkyne{\textendash}azide click reaction of azido-terminated PNIPAAm-N3 with propargyl-terminated PCL. Critical aggregation concentration (CAC) of PCL-b-PNIPAAm copolymer in aqueous solution was found to be 8.99 {\texttimes} 10-6 M. Lower critical solution temperature (LCST) of PCL-b-PNIPAAm copolymer was found to be 32 {\textdegree}C which was lower than that of the precursor PNIPAAm-N3 (36.4 {\textdegree}C). The effect of dual stimuli viz. temperature and pH on size and morphology of the assemblies of PCL-b-PNIPAAm block copolymer revealed that the copolymer below LCST assembled in spherical micelles which subsequently transformed to unstable vesicles above the LCST. Heating these assemblies above 40 {\textdegree}C led to the precipitation of PCL-b-PNIPAAm block copolymer. Whereas, at decreased pH, micelles of PCL-b-PNIPAAm copolymer disintegrate due to the cleavage of acetal linkage and precipitation of hydrophobic hydroxyl-terminated PCL. The encapsulated pyrene release kinetics from the micelles of synthesized PCL-b-PNIPAAm copolymer was found to be faster at higher temperature and at lower pH. {\textcopyright} 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017}, doi = {10.1002/pola.28508}, author = {Patil, Sachin S. and Wadgaonkar, Prakash} } @article {45725, title = {Temperature-induced misfolding in prion protein: evidence of multiple partially disordered states stabilized by non-native hydrogen bonds}, journal = {Biochemistry}, volume = {56}, year = {2017}, month = {FEB }, pages = {833-844}, type = {Article}, abstract = {
The structural basis of pathways of misfolding of a cellular prion (PrPc) into the toxic scrapie form (PrPsc) and identification of possible intermediates (e.g., PrP*) still eludes us. In this work, we have used a cumulative us of replica exchange molecular dynamics simulation data to construct the conformational free energy landscapes and capture the structural and thermodynamic characteristics associated with various stages of the thermal denaturation process in human prion protein. The temperature-dependent free energy surfaces consist of multiple metastable states stabilized by non-native contacts and hydrogen bonds, thus rendering the protein prone to misfolding. We have been able to identify metastable conformational states with high beta-content (similar to 30-40\%) and low alpha-content (similar to 10-20\%) that might be precursors of PrPsc oligomer formation. These conformations also involve participation of the unstructured N-terminal domain, and its role in misfolding has been investigated. All the misfolded or partially unfolded states are quite compact in nature despite having large deviations from the native structure. Although the number of native contacts decreases dramatically at higher temperatures, the radius of gyration and number of intraprotein hydrogen bonds and contacts remain relatively unchanged, leading to stabilization of the misfolded conformations by non-native interactions. Our results are in good agreement with the established view that the C-terminal regions of the second and third helices (H2 and H3, respectively) of mammal prions might be the Achilles heels of their stability, while separation of B1-H1-B2 and H2-H3 domains seems to play a key role, as well.
}, issn = {0006-2960}, doi = {10.1021/acs.biochem.6b01042}, author = {Chamachi, Neharika G. and Chakrabarty, Suman} } @article {43928, title = {Template -free assembly in living bacterial suspension under an external electric field}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {MAR}, pages = {1019-1024}, type = {Journal Article}, abstract = {
Although template-assisted self-assembly methods are very popular in materials and biological systems, they have certain limitations such as lack of tunability and switchable functionality because of the irreversible association of cells and their matrix components. With an aim to achieve more tunability, we have made an attempt to investigate the self-assembly behavior of rod-shaped living bacteria subjected to an external alternating electric field using confocal microscopy. We demonstrate that rod-shaped living bacteria dispersed in a low salinity aqueous medium form different types of reversible freely suspended structures when subjected to an external alternating electric field. At low field strength, an oriented phase is observed where individual bacterium orients with its major axis aligned along the field direction. At intermediate field strength, bacteria align in the form of one-dimensional (1D) chains that lie along the field direction. Further, at high field strength, more bacteria associate with these 1D chains laterally to form a two-dimensional (2D) array. At higher bacterial concentration, these field-induced 2D arrays extend to form three-dimensional columnar structures. These results are discussed in the context of previously reported studies on bacterial self-assembly.
}, keywords = {Bacteria, Electric Properties, Self- Assembly}, doi = {10.1021/acsomega.6b00541}, author = {Samantaray, Kunal and Bhol, Prachi and Sahoo, Bhaban and Barik, Subrat Kumar and Jathavedan, Kiran and Sahu, Bikash Ranjan and Bikash Ranjan and Suar, Mrutyunjay and Bhat, Suresh K. and Mohanty, Priti Sunda} } @article {44039, title = {Tf2NH-catalyzed 1,6-conjugate addition of vinyl azides with p-quinone methides: a mild and efficient method for the synthesis of β-bis-arylamides}, journal = {Synthesis}, year = {2017}, month = {JAN}, type = {Article}, abstract = {Tf2NH-catalyzed tandem 1,6-conjugate addition/Schmidt type rearrangement using vinyl azides and p-quinone methides to access a variety of β-bis-arylated amides is reported. The method is quick, efficient, mild, and high yielding with broad substrate scope.}, doi = {10.1055/s-0036-1588546}, author = {Rathod, Jayant and Sharma, Brijesh M. and Mali, Pramod S. and Kumar, Pradeep} } @article {43645, title = {Thermally conductive thin films derived from defect free graphene-natural rubber latex nanocomposite: preparation and properties}, journal = {Carbon}, volume = {119}, year = {2017}, month = {AUG}, pages = {527-534}, abstract = {Commercially useful rubber products viz. gloves, condoms, tyres, and rubber hoses used in high temperature environments, etc., require efficient thermal conductivity, which increases the lifetime of these products. Graphene can fetch this property, if it is effectively incorporated into the rubber matrix. The great challenge in preparing graphene-rubber nanocomposites is formulating a scalable method to produce defect free graphene and its homogeneous dispersion into polymer matrices through an aqueous medium. Here, we used a simple method to produce defect free few layer (2-5) graphene, which can be easily dispersed into natural rubber (NR) latex without adversely affecting its colloidal stability. The resulting new composite showed large increase in thermal conductivity (480-980\%) along with 40\% increase in tensile properties and 60\% improvement in electrical conductivity. This study provides a novel and generalized approach for the preparation of graphene based thermally conductive rubber nanocomposites. (C) 2017 The Authors. Published by Elsevier Ltd.}, doi = {10.1016/j.carbon.2017.04.068}, author = {George, Gejo and Sisupal, Suja Bhargavan and Tomy, Teenu and Pottammal, Bincy Akkoli and Kumaran, Alaganandam and Suvekbala, Vemparthan and Gopimohan, Rajmohan and Sivaram, Swaminathan and Ragupathy, Lakshminarayanan} } @article {45711, title = {Thermodynamic and molecular origin of interfacial rate enhancements and endo-selectivities of a Diels-Alder reaction}, journal = {Physical Chemistry Chemical Physics}, volume = {19}, year = {2017}, month = {FEB }, pages = {4297-4306}, type = {Article}, abstract = {
Organic reactions in general display large rate accelerations when performed under interfacial conditions, such as on water or at ionic liquid interfaces. However, a clear picture of the physicochemical factors responsible for this large rate enhancements is not available. To gain an understanding of the thermodynamic and molecular origin of these large rate enhancements, we performed a Diels-Alder reaction between cyclopentadiene and methyl acrylate at ionic liquid/n-hexane interfaces. This study describes, for the first time, a methodology for the calculation of the activation parameters of an interfacial reaction. It has been seen that the energy of activation for an interfacial reaction is much smaller than that of the corresponding homogeneous reaction, resulting into the large rate acceleration for the interfacial reaction. Furthermore, the study describes the effects of the alkyl chain length of ionic liquid cations, the extent of heterogeneity, and the polarity of ionic liquids on the rate constants and stereoselectivity of the reaction.
}, issn = {1463-9076}, doi = {10.1039/c6cp07405g}, author = {Beniwal, Vijay and Kumar, Anil} } @article {43986, title = {Thermodynamics of high polymer solutions}, journal = {Resonance}, volume = {22}, year = {2017}, month = {APR}, pages = {415-426}, type = {Article}, issn = {0971-8044}, doi = {10.1007/s12045-017-0481-2}, author = {Kumaraswamy, G.} } @article {44137, title = {Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions}, journal = {IUCRJ}, volume = {4}, year = {2017}, month = {NOV}, pages = {812-823}, type = {Article}, abstract = {The design and synthesis of mechanically responsive materials is interesting because they are potential candidates to convert thermal energy into mechanical work. Reported in this paper are thermosalient effects in a series of halogen derivatives of salinazids. The chloro derivative, with higher electronegativity and a weaker inter-halogen bond strength (Cl center dot center dot center dot Cl) exhibits an excellent thermal response, whereas the response is weaker in the iodo derivative with stronger I center dot center dot center dot I halogen bonding. 3,5-Dichlorosalinazid (Compound-A) exists in three polymorphic forms, two room-temperature polymorphs (Forms I and II) and one high-temperature modification (Form III). The transformation of Form I to Form III upon heating at 328-333 K is a reversible thermosalient transition, whereas the transformation of Form II to Form III is irreversible and nonthermosalient. 3,5-Dibromo- (Compound-B) and 3-bromo-5-chloro(Compound-C) salinazid are both dimorphic: the Form I to Form II transition in Compound-B is irreversible, whereas Compound-C shows a reversible thermosalient effect (362-365 K). In the case of 3,5-diiodosalinazid (CompoundD) and 3,5-difluorosalinazid (Compound-E), no phase transitions or thermal effects were observed. The thermosalient behaviour of these halosalinazid molecular crystals is understood from the anisotropy in the cell parameters (an increase in the a axis and a decrease in the b and c axes upon heating) and the sudden release of accumulated strain during the phase transition. The dihalogen salinazid derivatives (chlorine to iodine) show a decrease in thermal effects with an increase in halogen-bond strength. Interestingly, Compound-B shows solid-state photochromism in its polymorphs along with the thermosalient effect, wherein Form I is cyan and Form II is light orange.}, doi = {10.1107/S2052252517014658}, author = {Mittapalli, Sudhir and Perumalla, D. Sravanakumar and Nanubolu, Jagadeesh Babu and Nangia, Ashwini} } @article {43774, title = {Thermo-responsive PNIPAM-metal hybrids: an efficient nanocatalyst for the reduction of 4-nitrophenol}, journal = {Applied Surface Science}, volume = {420}, year = {2017}, month = {OCT}, pages = {753-763}, type = {Article}, abstract = {Micron size thermoresponsive cross-linked polymeric microgels of poly(N-isopropylacrylamide) (PNIPAM) are used as "microreactor" for embedding metal nanoparticles of different shapes. Using a simple and robust method, we have synthesized various polymer-metal hybrid nanostructures incorporated with Au nanorods (AuNR), Au nanospheres (AuNS) and Ag nanospheres (AgNS). These hybrid nanostructures have been characterized by transmission electron microscope (TEM), UV-vis spectroscopy, dynamic light scattering (DLS) and static light scattering (SLS) followed by their catalytic activity. TEM studies directly confirmed the mondispersity of synthesized hybrid microgels and stability of the embedded metal nanoparticles within the microgels. Optical studies confirmed the presence of respective absorption bands that correspond to AuNS, AgNS and AuNR respectively. Extensive DLS studies demonstrated that although these hybrid microgels preserve their thermoresponsive properties, i.e their hydrodynamic radius decreased with increasing temperature, their thermosensitivity were comparatively lesser than pure PNIPAM microgels. Combining with studies using static light scattering, we further found that AuNS and AgNS were inhomogeneously distributed within microgels where the majority of the nanoparticles present within the loosely cross-linked shell. On the other hand AuNR were distributed more homogeneously within the microgels. Catalytic performance of various nanostructures loaded onto PNIPAM microgel beads were evaluated by studying the catalytic reduction of 4-nitrophenol. Complete catalytic conversion using AgNS occurred in similar to 30 min with a first-order rate constant of 0.159 min(-1) having a 7 min induction period. On the other hand no induction period was observed for AuNS and AuNR and the reaction completed in 3-4 min with a first-order rate constant of 1.607 min(-1) and 1.627 min(-1) respectively. Further, PNIPAM-AuNS and PNIPAM-AuNR possess better catalytic activity as well as recyclability compared to that of PNIPAM-AgNS. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apsusc.2017.05.172}, author = {Satapathy, Smith Sagar and Bhol, Prachi and Chakkarambath, Aswathy and Mohanta, Jagdeep and Samantaray, Kunal and Bhat, Suresh K. and Panda, Subhendu K. and Mohanty, Priti S. and Si, Satyabrata} } @article {43342, title = {Thermo-reversible sol-gel transition of aqueous solutions of patchy polymers}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {JAN}, pages = {5101-5110}, abstract = {While aqueous solutions of several amphiphilic thermo-reversible polymers show gelation upon heating, there are fewer examples of polymer solutions that exhibit gelation when cooled. This paper reports an interesting phenomenon of abrupt thermoreversible gelation of aqueous solutions of a hydrophobically modified polymer upon cooling. A high molecular weight precursor copolymer (PCP, (M-w) over bar approximate to 5 x 10(6) g mol(-1)) of N, N-dimethylacrylamide (70 mol\%) and acrylic acid (30 mol\%) was modified by reacting 10 mol\% of the acrylic acid groups with n-dodecyl amine to form a hydrophobically modified copolymer (HMCP). The composition of the copolymer was ascertained using NMR spectroscopy. Cooling the solution of PCP at a controlled rate resulted in a gradual increase in its low shear viscosity as dictated by the flow activation energy. In contrast, cooling the solution of HMCP under identical conditions resulted in an abrupt and large non-Arrhenius increase in viscosity at a specific transition temperature, which decreased with decrease in polymer concentration. Fluorescence measurements and dynamic light scattering data showed that abrupt gelation happened upon cooling, when polymer coils percolate accompanied with concomitant transition in chain conformation from compact micellar coils formed by intra-chain hydrophobic associations to swollen polymer coils connected by inter-chain hydrophobic interactions.}, doi = {10.1039/c6ra27030a}, author = {Parmar, Indravadan A. and Shedge, Aarti S. and Badiger, Manohar V. and Wadgaonkar, Prakash P. and Lele, Ashish K.} } @article {43901, title = {Thermotropic liquid crystalline polyesters derived from 2-chloro hydroquinone}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {SEP}, chapter = {1461-1468}, abstract = {
Synthesis of thermotropic liquid crystalline polyesters derived from bis[4-hydroxy benzoyloxy]-2-chloro-1,4-benzene (BHBOCB) and aliphatic dicarboxylic acid chlorides by interfacial polycondensation methodology is presented. Synthesised polyesters consist of bis[4-hydroxy benzoyloxy]-2-chloro-1,4-benzene as a mesogen and aliphatic diacid chloride as flexible spacer. The length of oligomethylene units in the polymer was varied from the trimethylene to the dodecamethylene groups. Synthesized polyesters were characterized by differential scanning calorimetry and optical microscopy. The transition temperatures and thermodynamic properties were studied for all these polymers. These polyesters exhibited thermotropic liquid crystalline behavior and showed nematic texture except decamethylene spacer. Decamethylene spacer based polyester showed marble texture of smectic C. Mesophase stability of these polyesters was higher than (except first heating cycle of PE-1).\

SYNOPSIS The present study deals with the synthesis of thermotropic liquid crystalline polyesters derived from bis[4-hydroxy benzoyloxy]-2-chloro-1,4-benzene (BHBOCB) and aliphatic dicarboxylic acid chlorides by interfacial polycondensation methodology.
}, keywords = {acid, Aliphatic Flexible Spacers Main-chain, Aromatic Mesogen, Elastomer, Morphology, Polydomain, Polymers, Thermotropic Liquid Crystalline Polyesters, Units}, doi = {10.1007/s12039-017-1342-y}, author = {Manurkar, Nagesh and More, Sayaji and Mulani, Khudbudin and Ganjave, Nitin and Chavan, Nayaku} } @article {43991, title = {Three in one: prototropy-free highly stable AADD-type self-complementary quadruple hydrogen-bonded molecular duplexes with built-in fluorophore}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {FEB}, type = {Article}, abstract = {This communication reports an effective approach for addressing the prototropy-related problems in heterocycle-based AADD-type self-assembling systems by freezing their hydrogen-bonding codes, by utilizing intramolecular bifurcated hydrogen bonding interactions. Using this strategy, we have also developed a hydroquinone-conjugated AADD-type self-assembling system adorned with three valuable features such as prototropy-free dimerization yielding single duplexes, high duplex stability and a built-in fluorophore, which would augment its application potential. The rational approach used herein to arrest prototropic shift may also find application elsewhere, wherein proton shift-mediated structural changes become a detrimental factor.}, doi = {10.1039/C6CC09478C}, author = {Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Sanjayan, Gangadhar J.} } @article {43888, title = {TiO2/RGO composites: Its achievement and factors involved in hydrogen production}, journal = {Renewable \&sustainable energy reviews}, volume = {76}, year = {2017}, month = {SEP}, pages = {1384-1392}, type = {Article}, abstract = {
The immense potential shown by TiO2 to participate as a designer material resulting into a new class of high performing photocatalyst has acclaimed it to become an important player in the designing and synthesis of various solar harvesting materials. This role has further been explored by the introduction of graphene into TiO2 matrix. TiO2/reduced graphene oxide (TiO2/RGO) or TiO2/graphene (TiO2/GR) has shown its prospects or relevance to be considered as the next generation photocatalyst for hydrogen production by its reported values in terms of producing hydrogen gas. Hence, there is a requirement of having a detailed up to date write up on the work done in this area in terms of its synthetic procedures, properties and its effect on hydrogen production. Herein, we discuss the different methods involved in the synthesis of such highly efficient materials followed by a brief explanation on its structural and morphological properties. Furthermore, a comparative study on the recent developments in terms of hydrogen evolution efficiency along with a mechanistic approach is also described. Finally, the current challenge and possibility of the future development in this direction is emphasized.
}, keywords = {Au-tio2 Photocatalysts, Evolution, Generation, graphene, Hydrogen generation, Nanocomposite, Nitrogen-doped Tio2, Photocatalysis, Photocatalytic H-2 Production, Recent Progress, Reduced graphene oxide, TiO2, Tio2-graphene Nanocomposites, Visible-light Irradiation, Water}, issn = {1364-0321}, doi = {10.1016/j.rser.2017.03.1}, author = {Gupta, Bhavana and Melvin, Ambrose A.} } @article {45751, title = {Total synthesis of (+/-)-allocolchicine and its analogues using Co-catalyzed alkyne [2}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {SEP}, pages = {5591-5600}, type = {Article}, abstract = {
The total synthesis of (+/-)-allocolchicine has been completed by employing cobalt-catalyzed alkyne [2 + 2 + 2]-cyclotrimerization as the key reaction. The essential diyne has been synthesized from easily available 3,4,5-trimethoxybenzaldehyde following simple chemical transformations. In general, the cycloaddition gave a mixture of C(9) and C(10) isomers thus allowing the synthesis of both allocolchicine and its C(10)-carboxylate. Because this cycloaddition was employed at the penultimate stage, it allowed the synthesis of various analogues having the diverse functionality at C(9) and/or C(10) of ring C.
}, issn = {2470-1343}, doi = {10.1021/acsomega.7b00980}, author = {Paymode, Dinesh J. and Ramana, Chepuri V.} } @article {44043, title = {Total synthesis of bioactive canthine alkaloid cordatanine comprising in situ double oxidative aromatization of tetrahydrocarbazole}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {JUL}, chapter = {3945-3950}, abstract = {
Starting from tryptamine and methoxymaleic anhydride, concise and efficient total synthesis of cordatanine has been accomplished via regioselective reduction of methoxymaleimide, acid-catalyzed intramolecular cyclization of the formed lactamol, in situ stepwise oxidations leading to aromatization, and intramolecular cyclization with the exchange of N-regioselectivity. An attempted synthesis of regioisomeric natural product zanthochilone has been described in brief with reversal of reduction selectivity.\
}, issn = {2470-1343}, doi = {10.1021/acsomega.7b00609}, author = {Shelar, S. V. and N. P. Argade} } @article {43531, title = {Total synthesis of natural fregenedadiol and its diacetate, rearranged labdanes with aromatized B ring}, journal = {Tetrahedron Letters}, volume = {58}, year = {2017}, month = {MAR}, pages = {1262-1264}, abstract = {Labdane based natural products are most abundant and widely distributed in nature with many compounds exhibiting exceptional biological properties. Fregenedadiol is a bicyclic diterpene isolated from Halimium viscosum and represents a new carbon skeleton fregenedane with its B ring aromatized. Here, we report a total synthesis of this interesting natural product using one-pot Diels-Alder/aromatization sequence and selective hydrogenolysis as key steps. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2017.02.010}, author = {Philkhana, Satish Chandra and Reddy, D. Srinivasa} } @article {44117, title = {Total synthesis of propolisbenzofuran B}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {DEC}, pages = {6466-6469}, type = {Article}, abstract = {An efficient synthesis of propolisbenzofuran B, which possesses promising anticancer activity, is reported. The key cyclohexanone framework of this tricyclic natural product has been constructed employing a Rh-catalyzed intramolecular olefin hydroacylation. The requisite key olefin intermediate was synthesized by using gold-catalyzed allenyl ether [1,3] O -> C rearrangement.}, doi = {10.1021/acs.orglett.7b02732}, author = {Srinivas, Kolluru and Ramana, Chepuri V.} } @article {44151, title = {Total synthesis of (+/-)/(+)-subincanadine E and determination of absolute configuration}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {OCT}, pages = {11126-11133}, type = {Article}, abstract = {A facile synthesis of (+/-)-subincanadine E was described from tryptamine-based maleimide. 1,2-Addition of Grignard reagent to maleimide, internal activation of formed lactamol for in situ 1,4-addition of Grignard reagent, and associated position-specific allylic rearrangement in diastereoselective Pictet-Spengler cyclization were the key steps. Enantioselective first total synthesis of naturally occurring cytotoxic (+)-subincanadine E was also accomplished from (S)-acetoxysuccinimide via an unusual syn-addition of cuprate to the alpha/beta-unsaturated lactam. Sinister absolute configuration was assigned to (+)-subincanadine E on the basis of total synthesis. (S)-Acetoxy group in the succinimide precursor was initially employed to impart regio- and stereoselectivity and then as a suitable leaving group to generate the desired conjugated lactam.}, doi = {10.1021/acs.job.7b02122}, author = {Kalshetti, Manojkumar G. and N. P. Argade} } @article {45671, title = {Total synthesis of tetrahydroisoquinoline-based bioactive natural products laudanosine, romneine, glaucine, dicentrine, and their unnatural analogues isolaudanosine and isoromneine}, journal = {Synthesis-Stuttgart}, volume = { 49 }, year = {2017}, month = {APR}, pages = {1655-1663}, type = {Article}, abstract = {Starting from suitably substituted homophthalic acids, total synthesis of titled alkaloids have been demonstrated in very good yields. The obtained natural products laudanosine and romneine were utilized to accomplish synthesis of two isoquinoline-based alkaloids glaucine and dicentrine. Base-induced selective generation of two different types of benzylic carbanions, their coupling reactions with 3,4-dimethoxybenzyl mesylate, and the regioselective iodination followed by intramolecular aryl-aryl coupling reactions to form the fused biaryl systems were the strategic steps.}, doi = {10.1055/s-0036-1588920}, author = {Jangir, Ravi and Argade, Narshinha P.} } @article {43799, title = {Transcriptional transitions in alphonso mango (Mangifera indica L.) during fruit development and ripening explain its distinct aroma and shelf life characteristics}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {AUG}, type = {Article}, abstract = {Alphonso is known as the "King of mangos" due to its unique flavor, attractive color, low fiber pulp and long shelf life. We analyzed the transcriptome of Alphonso mango through Illumina sequencing from seven stages of fruit development and ripening as well as flower. Total transcriptome data from these stages ranged between 65 and 143 Mb. Importantly, 20,755 unique transcripts were annotated and 4,611 were assigned enzyme commission numbers, which encoded 142 biological pathways. These included ethylene and flavor related secondary metabolite biosynthesis pathways, as well as those involved in metabolism of starch, sucrose, amino acids and fatty acids. Differential regulation ( p-value <= 0.05) of thousands of transcripts was evident in various stages of fruit development and ripening. Novel transcripts for biosynthesis of mono-terpenes, sesqui-terpenes, di-terpenes, lactones and furanones involved in flavor formation were identified. Large number of transcripts encoding cell wall modifying enzymes was found to be steady in their expression, while few were differentially regulated through these stages. Novel 79 transcripts of inhibitors of cell wall modifying enzymes were simultaneously detected throughout Alphonso fruit development and ripening, suggesting controlled activity of these enzymes involved in fruit softening.}, doi = {10.1038/s41598-017-08499-5}, author = {Deshpande, Ashish B. and Anamika, Krishanpal and Jha, Vineet and Chidley, Hemangi G. and Oak, Pranjali S. and Kadoo, Narendra Y. and Pujari, Keshav H. and Giri, Ashok P. and Gupta, Vidya S.} } @article {43734, title = {Transition metal, azide, and oxidant-free homo- and heterocoupling of ambiphilic tosylhydrazones to the regioselective triazoles and pyrazoles}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {APR}, pages = {1534-1537}, type = {Article}, abstract = {With N-tosylhydrazone as an ambiphilic reagent, an unprecedented cyclization reaction of two identical or different tosylhydrazones has been developed to access various 4,5-disubstituted-2H-triazoles under transition metal, azide, and oxidant-free conditions. A mechanistic.rationalization study led to the identification of several electronically diverse unsaturated systems for regioselective synthesis of 1- and 2-substituted 1,2,3-triazoles and pyrazoles.}, doi = {10.1021/acs.orglett.7b00313}, author = {Panda, Subhankar and Maity, Pradip and Manna, Debasis} } @article {43485, title = {Transition metal catalysis-a unique road map in the stereoselective synthesis of 1,3-polyols}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {JAN}, pages = {733-761}, abstract = {The present review summarizes recent diverse reactions employed in the formation of 1,3-polyols providing an overview of the mechanistic pathway and the enantioselectivity obtained, in terms of the properties of transition metals directly involved in the catalytic transformations and their interaction with various ligands.}, doi = {10.1039/c6ob01925k}, author = {Kumar, Pradeep and Tripathi, Divya and Sharma, Brijesh M. and Dwivedi, Namrata} } @article {43388, title = {Transition metal free catalytic hydroboration of aldehydes and aldimines by amidinato silane}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {FEB}, pages = {2420 - 2424}, abstract = {The transition metal free catalytic hydroboration of aldehydes and ketones is very limited and has not been reported with a well-defined silicon(iv) compound. Therefore, we chose to evaluate the previously reported silicon(iv) hydride [PhC(NtBu)2SiHCl2], (1) as a single component catalyst and found that it catalyzes the reductive hydroboration of a range of aldehydes with pinacolborane (HBpin) under ambient conditions. In addition, compound 1 can catalyze imine hydroboration. DFT calculation was carried out to understand the mechanism.}, doi = {10.1039/C6DT04893E}, author = {Bisai, Milan and Pahar, Sanjukta and Das, Tamal and Sen, Sakya S.} } @article {43490, title = {Triazine-based highly stable AADD-type self-complementary quadruple hydrogen-bonded systems devoid of prototropy}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {JAN}, pages = {783-787}, abstract = {
A new class of 1,3,5-triazine-based quadruple hydrogen-bonded system featuring AADD-type self-complementary arrays has been developed and characterized. This system forms highly stable molecular duplex in non-polar solvent (K-dim \> 1.9 x 10(7) M-1 in CDCl3) without prototropy-related issues, raising its prospects for application in supramolecular polymer science.
}, doi = {10.1002/chem.201605208}, author = {Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {43055, title = {Tri-tert-butanolamine as an organic promoter in nucleophilic fluorination}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {JAN}, pages = {118-122}, type = {Article}, abstract = {
Tri-tert-butanol amine acts as promoter with alkali metal salts in the nucleophilic fluorination of alkylsulfonates. It significantly enhances the reactivity of alkali metal salts with minimum formation of side-products (alkene, ether, and alcohol) com-pared to other catalysts in fluorination reaction. The synergism of tert-alcohol and amine moiety plays a pivotal role in fluorination.
}, doi = {10.1002/slct.201601735}, author = {Shinde, Sandip S. and Khonde, Nilesh and Kumar, P.} } @article {43536, title = {Tubulointerstitial nephritis antigen-like 1 protein is downregulated in the placenta of pre-eclamptic women}, journal = {Clinical Proteomics}, volume = {14}, year = {2017}, month = {MAR}, pages = {Article Number: 8}, abstract = {Background: Tubulointerstitial nephritis antigen-like 1 protein (TINAGL1), is a matricellular protein, known to play role in cell adhesion and cell receptor interaction. Research related to TINAGL1 is limited to cell culture and animal models. Demonstration of TINAGL1 as a positive regulator of angiogenesis and its expression in the decidua of postimplantation mouse uterus, prompted us to validate its expression in human placenta during impaired angiogenesis in pre-eclamptic condition. Methods: Placental tissue from normotensive (n = 25) and pre-eclamptic (n = 25) pregnancies were used to study the differentially expressed proteins by two-dimensional gel electrophoresis and TINAGL1 protein was validated with Western blotting. Results: A total of 55 protein spots were differentially expressed (fold change > 1.5, p < 0.05), of which 27 were upregulated and 28 were downregulated in the pre-eclamptic placenta. TINAGL1 was found to be downregulated in pre-eclamptic compared to normotensive pregnant women. Conclusion: This is the first study reporting TINAGL1 to be present in human placenta and differentially expressed in pre-eclamptic condition. The functional role of TINAGL1 in association to human pregnancy needs to be explored further.}, doi = {10.1186/s12014-017-9144-2}, author = {Mary, Sheon and Kulkarni, Mahesh J. and Mehendale, Savita S. and Joshi, Sadhana R. and Giri, Ashok P.} } @article {45707, title = {Tuning of the magnetostrictive properties of cobalt ferrite by forced distribution of substituted divalent metal ions at different crystallographic sites}, journal = {Journal of Applied Physics}, volume = {121}, year = {2017}, month = {MAR}, type = {Article}, abstract = {Comparative studies have been made to understand the role of different crystallographic site preferences of the substituted non-magnetic divalent metal ions in the magnetostrictive properties of cobalt ferrite, by substitution of Zn2+ and/or Mg2+ for Fe3+ in CoMgxFe2-xO4, CoZnxFe2-xO4, and CoMgx/2Znx/2Fe2-xO4 (0.0 <= x <= 0.2). Detailed Raman spectral and magnetic characterizations are made to extract the information on the tetrahedral/octahedral site preferences of Zn and Mg in the spinel lattice of cobalt ferrite. The structural, microstructural, magnetic, Raman spectral, and magnetostrictive parameters of the studied compositions show distinguishable variations for x< 0.1 and x >= 0.1. Co-substitution of a small amount of Mg and Zn for Fe in CoMgx/2Znx/2Fe2-xO4 (x < 0.1) showed relatively larger strain sensitivity, [d lambda/dH](max) (-2.6 x 10(-9) mA(-1) for x = 0.05), higher than that for the Mg-substituted samples (-2.05 x 10(-9) mA(-1) for x = 0.05) and comparable to that for the Zn-substituted samples (-2.47 x 10(-9) mA(-1) for x = 0.05), without much drop in the maximum value of magnetostriction, lambda(max) (-189 ppm for x = 0.05) compared to that for the unsubstituted counterpart (-221 ppm). The results show that it is possible to obtain high strain sensitivity (at fields < 50 kA/m), along with high magnetostriction strain at low magnetic fields (similar to 250 kA/m), by tuning the distribution of the substituted cations in the tetrahedral and octahedral sites of the cobalt ferrite lattice. Published by AIP Publishing.}, doi = {10.1063/1.4977758}, author = {Anantharamaiah, P. N. and Joy, P. A.} } @article {43736, title = {Two-dimensional infrared spectroscopy reveals cosolvent-composition-dependent crossover in intermolecular hydrogen bond dynamics}, journal = {Journal of Physical Chemistry Letters}, volume = {8}, year = {2017}, month = {APR}, pages = {1604-1609}, type = {Article}, abstract = {Cosolvents have versatile composition-dependent applications in chemistry and biology. The simultaneous presence of hydrophobic and hydrophilic groups in dimethyl sulfoxide (DMSO), an industrially important amphiphilic cosolvent, when combined with the unique properties of water, plays key roles in the diverse fields of pharmacology, cryoprotection, and cell biology. Moreover, molecules dissolved in aqueous DMSO exhibit an anomalous concentration-dependent nonmonotonic behavior in stability and activity near a critical DMSO mole fraction of 0.15. An experimental identification of the origin of this anomaly can lead to newer chemical and biological applications. We report a direct spectroscopic observation of the anomalous behavior using ultrafast twodimensional infrared spectroscopy experiments. Our results demonstrate the cosolventconcentration-dependent nonmonotonicity arises from nonidentical mechanisms in ultrafast hydrogen-bond-exchange dynamics of water above and below the critical cosolvent concentration. Comparison of experimental and theoretical results provides a molecular-level mechanistic understanding: a distinct difference in the stabilization of the solute through dynamic solute solvent interactions is the key to the anomalous behavior.}, doi = {10.1021/acs.jpclett.7b00270}, author = {Kashid, Somnath M. and Jin, Geun Young and Chakrabarty, Suman and Kim, Yung Sam and Bagchi, Sayan} } @article {44149, title = {Two-phase system for the clean and high yield synthesis of furylmethane derivatives over- SO3H functionalized ionic liquids}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {OCT}, pages = {4804-4810}, type = {Article}, abstract = {A new and effective unique two-phase reaction system is investigated for the high yield production of tri(furyl) methane from furfural and furan. This strategy includes the use of an acidic aqueous phase (water + -SO3H functionalized IL) and furan phase, which significantly suppresses polymer formation, thereby increasing the yield of tri(furyl) methane. Furan serves as a reactant as well as an extraction solvent for the recovery of the condensation products. For comparison, different -SO3H functionalized ionic liquids are prepared and their performances evaluated for the condensation of furan and furfural. The ionic liquids with alkyl chain linkers are found to be more effective and acidic than those with imidazolium linked N-sulfonic acids. In addition, an increase in carbon chain length between imidazole/tri-ethylamine/pyridine and -SO3H, increases the catalytic activity of the respective ionic liquids. Among the several prepared ionic liquids, the strongly acidic imidazolium based butylsulfonic acid 6 shows the best activity with a maximum condensation product yield of 84\%. This strategy offers a significantly high yield of the condensation products of furan and furfural compared to the traditional mineral acid route. The activity and stability of the -SO3H functionalized 6 is confirmed from seven successful recycles, in which there is no reduction in its activity. Finally, this new strategy is successfully extended for the condensation of furan derivatives (e. g. furan and 2-methylfuran) with several different aldehydes, ketones and alcohols.}, doi = {10.1039/c7gc01654a}, author = {Shinde, S. H. and Rode, C. V.} } @article {44411, title = {Ultra small nanoclusters to nanoparticles: fine tuning of particle size in water dispersible cation functionalized thiolate protected Pd system}, journal = {Materials Today-Proceedings}, volume = {4}, year = {2017}, month = {MAR}, pages = {9440-9444}, abstract = {Monolayer protected noble metal nanoparticles have attracted considerable attention in the past decade with potential applications in fields ranging from catalysis to biosensors [1, 2,]. We have developed a novel procedure for the synthesis of water dispersible Pd nanoparticles based on a bifunctional ligand, N,N,N-tripropyl(11-mercaptoundecyl) ammonium chloride in which thiol group binds to the metal, hydrophobic middle alkyl chain acts as capping agent and provides steric stability and on the other end the ammonia group helps in making nanoparticles hydrophilic. In this paper, we report the fine-tuning of size of water dispersible Pd nanosystems ranging from clusters to nanoparticles by adjusting the synthetic parameters and their characterization. (C) 2017 Elsevier Ltd. All rights reserved.}, author = {Dhanraj, Prakriti and Samanta, Anupam and Devi, R. Nandini} } @article {43793, title = {Ultrahigh ionic conduction in water-stable close-packed metal-carbonate frameworks}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {AUG}, pages = {9710-9715}, type = {Article}, abstract = {Utilization of the robust metal-carbonate backbone in a series of water-stable, anionic frameworks has been harnessed for the function of highly efficient solid-state ion conduction. The compact organization of hydrophilic guest ions facilitates water-assisted ion-conduction in all the compounds. The dense packing of the compounds imparts high ion-conducting ability and minimizes the possibility of fuel crossover, making this approach promising for design and development of compounds as potential components of energy devices. This work presents the first report of evaluating ion-conduction in a purely metal-carbonate framework, which exhibits high ion-conductivity on the order of 10(-2) S cm(-1) along with very low activation energy, which is comparable to highly conducting well-known crystalline coordination polymers or commercialized organic polymers like Nafion.}, doi = {10.1021/acs.inorgchem.7b01217}, author = {Manna, Biplab and Desai, Aamod V. and Illathvalappil, Rajith and Gupta, Kriti and Sen, Arunabha and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article {43975, title = {Ultrananocrystalline diamond decoration on to the single wall carbon nano tubes}, journal = {Applied Surface Science}, volume = { 418}, year = {2017}, month = {OCT}, pages = {401-405}, type = {Journal Article}, abstract = {
We have demonstrated the decoration of the ultrananocrystalline diamonds on single walled carbon nanotubes using a hot filament assisted chemical vapor deposition. Study reveals the critical influence of the filament to substrate distance on the formation of ultrananocrystalline diamonds on to the single walled carbon nanotubes. It is also observed that etching of carbon nanotubes, due to the presence of unavoidable atomic hydrogen throughout the chemical vapor deposition processes, can be significantly reduced by adjusting the filament to substrate distance. Morphological and structural investigations performed using high resolution transmission electron microscope suggests the growth of ultrananocrystalline diamond is subsequent to the formation of crystalline sp2 carbon layer on the nanotube wall, enabling us to suggest a growth model. The composite synthesized can be thought not only to use as a fuel cell catalyst support but also as chemical sensors, bio-sensors and micro electromechanical systems (MEMS).
}, keywords = {Carbon nanotubes, Composite Coating, Electron microscopy (STEM, Nanostructures, TEM and SEM)}, doi = { 10.1016/j.apsusc.2016.12.057}, author = {Sinha, B. and Late, D. and Jejurikar, S.M.} } @article {43786, title = {Ultraviolet photosensor based on few layered reduced graphene oxide nanosheets}, journal = {Applied Surface Science}, volume = {418}, year = {2017}, month = {OCT}, pages = {374-379 }, type = {Article}, abstract = {Reduced graphene oxide (RGO), a two-dimensional (2D) system, has attracted much interest in photonic applications owing to its ability to absorb light over a broad wavelength. This leads to several studies on RGO-based photosensors. In this paper, chemical oxidation of graphite was carried out at room temperature for the preparation of large area reduced graphene oxide using a modified Hummer{\textquoteright}s method. The as-prepared reduced graphene oxide was characterized by XRD, Raman spectroscopy, FESEM, and TEM to confirm the absence of impurities and to ascertain their morphology. In addition, the as-prepared reduced graphene oxide for its possible application as UV photosensor is reported. The electric and optoelectronic properties of RGO based UV photosensor shows a fast response and recovery time of 1 s and 3 s; high photoresponsitivity (3.74AW(-1)) and quantum efficiency (1274\%) indicating that the graphene oxide is an important material for high performance photosensor. This work demonstrates the ultrafast photoresponse with high photoresponsivity, proving its potential as a promising material for optoelectronic devices. 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apsusc.2016.12.150}, author = {Shelke, Nitin T. and Karche, B. R.} } @article {44087, title = {Understanding alloy structure and composition in sinter-resistant AgPd@SiO2 encapsulated catalysts and their effect on catalytic properties}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {DEC}, pages = {14652-14658}, type = {Article}, abstract = {The extent of alloying and the alloy composition, which are crucial in determining the activity and selectivity of bimetallic catalysts, were studied in porous silica encapsulated AgPd catalysts using XRD, HRTEM and HAADF-STEM. Water-dispersible ligand protected Pd ultra-small clusters and Ag nanoparticles of three different sizes were used as the precursors. The high reactivity of Pd ultra-small clusters enhanced the alloying of larger Ag nanoparticles to some extent. Encapsulation appeared to have minimised the sintering of the resultant nanoparticles. The earlier suggestions of the role of d-band positions with respect to adsorption energies holds good for the AgPd system and alloying enhances the activity. Alloy with the composition of Ag50Pd50 was found to be the most active with the reaction rate enhanced two fold compared to that in other compositions. Other factors like particle size and sinter-resistance also played important roles in enhancing the activity of these catalysts.}, doi = {10.1039/c7nj03652c}, author = {Mondal, Sourik and Rajesh, Thattarathody and Dhar, Basab B. and Snellman, Markus and Li, Junjie and Deepak, Francis Leonard and Devi, R. Nandini} } @article {43720, title = {Understanding the factors influencing quality of writing and wiping for chalk and board system}, journal = {Current Science}, volume = {112}, year = {2017}, month = {APR}, pages = {1727-1737}, type = {Article}, abstract = {This article reports the properties of a calcium carbonate-based writing chalk prepared at the CSIR-Central Salt and Marine Chemicals Research Institute (CSIR-CSMCRI) and, further, our efforts to understand the process of writing with the chalk on two different boards. The optimum density of the chalk was found to be 1.52 g ml(-1), keeping in mind the careful balancing act between strength and dust-free nature of the chalk on one hand, and the ease of particle transfer onto the board on the other. Writing with the chalk yielded thin and compact appearance on a ceramic board, while that on a polymeric board was relatively broad and dispersed. Atomic force and scanning electron microscopic studies were carried out to rationalize the observation by correlating roughness on the board with the distribution of chalk particles. Wiping efficiency of the polyurethane-based duster prepared at CSIR-CSMCRI was compared with commercial duster, and the observations rationalized again with the scanning electron microscopy.}, doi = {10.18520/cs/v112/i08/1727-1737}, author = {Thakur, Rajendra S. and Shukla, Jignesh J. and Desale, Girish R. and Ghosh, Pushpito K.} } @article {44410, title = {Understanding Ziegler{\textendash}Natta catalysis through your laptop}, journal = {Resonance}, year = {2017}, month = {NOV}, abstract = {This article focuses on the different components that make up Ziegler{\textendash}Natta olefin polymerization systems and shows how investigating the interactions between these components through computational approaches provide crucial information about the chemistry of these systems. Hence, the necessity of theory acting as a counterpoint to experiment is revealed, underlining the importance of computational chemistry in attacking important problems of the day.}, author = {Raj, K. Vipin and Kumar, Vanka} } @article {45733, title = {Unified approach to fused and spirocyclic oxindoles through lewis-acid-promoted opening of spiroepoxyoxindoles with allylsilanes: application to the formal synthesis of (+/-)-physovenine}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {MAY }, pages = {2603-2609}, type = {Article}, abstract = {
A protocol for the construction of oxindoles containing all-carbon quaternary centres in a highly regioselective manner has been developed. The reaction involves opening of spiroepoxyoxindoles with allylsilanes to give Hosomi-Sakurai-type products as well as new silicon-containing spirocyclic oxindoles. A formal synthesis of (+/-)-physovenine was accomplished in five steps using this protocol.
}, keywords = {alkaloids, Allylation, annulation, Lewis acids, spiro compounds}, issn = {1434-193X}, doi = {10.1002/ejoc.201700259}, author = {Sharma, Brijesh M. and Yadav, Mahesh and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {45750, title = {Unified strategy for silver-, base-, and oxidant-free direct arylation of C-H bonds}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {MAY }, pages = {2111-2117}, type = {Article}, abstract = {
Here, we report a dual catalytic approach for room temperature direct arylation of C-H bonds with aryldiazonium salts as a simple aryl group donor, also working as an internal oxidant via C-N-2 bond cleavage. This unified strategy has been achieved by the synergistic combination of visible-light metal-free photoredox and palladium catalysis under silver-, base-and/or additive-free conditions. The broad substrate scope, functional group tolerance, excellent regioselectivity and redox-neutral conditions of this process make it attractive for the effective synthesis of a wide range of important N-heterocyclic commodities such as dibenzo [b,d]azepine, carbazole and phenanthridine.
}, issn = {1463-9262}, doi = {10.1039/c6gc03438a}, author = {Sahoo, Manoj K. and Midya, Siba P. and Landge, Vinod G. and Balaraman, Ekambaram} } @article {43866, title = {Unprecedented solvent induced inter-conversion between monomeric and dimeric silylene-zinc iodide adducts}, journal = {Dalton Transaction }, volume = {46}, year = {2017}, month = {SEP}, chapter = {11418-11424}, abstract = {

Usually, when a silylene reacts with a transition metal Lewis acid, it forms an adduct which could be either monomeric or dimeric. However, we present here that a silylene, [PhC(NtBu)(2)SiN(SiMe3)(2)] can form both monomeric [PhC(NtBu)(2)Si{N(SiMe3)(2)} -\> ZnI2]center dot THF (1) and dimeric [{PhC(NtBu)(2)}(N(SiMe3)(2))SiZnI,(mu-I)](2) (2) adducts upon reaction with ZnI2. The formation of 1 and 2 relies upon the solvent used for the reaction or crystallization. When the crystallization is carried out in THF complex 1 is formed, however, when the reaction and crystallization are performed in acetonitrile complex 2 is obtained. Both 1 and 2 were structurally authenticated and the nature of the Si-Zn bond in these complexes was determined by quantum chemical calculations. In addition, a spontaneous inter-conversion between 1 and 2 just by changing the solvents has been also observed; a feature presently not known for silylene-transition metal Lewis adducts.

\
}, keywords = {Bis(Silylene ), Carbene Complexes, Crystal -structure Determination, Dative bond, Lewis acid base reaction, Ligands, Main- group compounds, Reactivity, Silicon(II) Bis(Trimethylsilyl)Amide; Carbonyl-Complexes}, issn = {1477-9226}, doi = {10.1039/c7dt01823a}, author = {Yadav, Sandeep and Sangtani, Ekta and Dhawan, Diksha and Gonnade, Rajesh G. and Ghosh, Debashree and Sen, Sakya S.} } @conference {45758, title = {Unraveling structure sensitivity in phenol hydrogenaton on Pd nanostructures}, booktitle = {253rd National Meeting of the American-Chemical-Society (ACS) on Advanced Materials, Technologies, Systems, and Processes}, year = {2017}, month = {APR }, publisher = {Amer Chemical Soc, 1155 16TH ST, NW, Washington, DC 20036 USA}, organization = {Amer Chemical Soc, 1155 16TH ST, NW, Washington, DC 20036 USA}, address = {San Francisco, CA}, author = {Haider, M. Ali and Seshadri, Sreedhala and Gupta, Shelaka and Khan, Tuhin and Prabhakaran, Vinod} } @article {43984, title = {Unusual role of the aromatic solvent in single site Al(I) chemistry: insights from theory}, journal = {Chemistry - A European Journal}, volume = {23}, year = {2017}, month = {JUL}, pages = {13957-13963}, type = {Article}, abstract = {The single site activation of strong σ bonds (such as that of H-H, P-H and N-H) remains a significant challenge in main group chemistry, with only a few cases reported to date. In this regard, recent exciting experiments done with Al(I) complexes hold significance, because they, too, have been seen to activate a variety of strong σ bonds. Such chemistry is generally seen to occur in aromatic solvents. The current computational studies with density functional theory (DFT) reveal the interesting reason for this: it is seen that an explicit aromatic solvent molecule acts as a catalyst by converting the Al(I) complex to Al(III) during the process. Different cases of σ bond activation by Al(I) complexes have been investigated and the efficiency for the H-X (X=H, NHtBu, PPh2) bond activation in the presence of an explicit benzene solvent molecule has been seen to be orders of magnitude higher than in its absence. The current work therefore reveals the chemistry of Al(I) complexes to be richer and more complex than realized to date, and shows it to be dependent on metal-solvent cooperativity, the first known example of its kind in main group chemistry.}, doi = {10.1002/chem.201701642}, author = {Jain, Shailja and Vanka, Kumar} } @article {43859, title = {Validity of the Rosenfeld relationship: a comparative study of the network forming NTW model and other simple liquids}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {JUL}, pages = {793-800}, type = {Article}, abstract = {In this paper we explore the validity of the Rosenfeld and the Dzugutov relation for the Lennard-Jones (LJ) system, its repulsive counterpart, the WCA system and a network forming liquid, the NTW model. We find that for all the systems both the relations are valid at high temperature regime with an universal exponent close to 0.8. Similar to that observed for the simple liquids, the LJ and the WCA systems show a breakdown of the scaling laws at the low temperature regime. However for the NTW model, which is a simple liquid, these scaling laws are valid even at lower temperature regime similar to that found for ionic melts. Thus we find that the NTW model has mixed characteristics of simple liquids and ionic melts. Our study further reveals a quantitative relationship between the Rosenfeld and the Arrhenius relations. For strong liquids, the validity of the Rosenfeld relation in the low temperature regime is connected to it following the Arrhenius behaviour in that regime. Finally we explore the role of pair entropy and residual multiparticle entropy in the dynamics as a function of fragility of the systems.}, doi = {10.1007/s12039-0}, author = {Banerjee, Atreyee and Nandi, Manoj Kumar and Bhattacharyya, Sarika Maitra} } @article {44001, title = {Valorization of pomegranate peels: a biorefinery approach}, journal = {Waste and Biomass Valorization}, volume = {8}, year = {2017}, month = {JUN}, chapter = {1127-1137}, abstract = {
Recent studies have shown that pomegranate peels (PP) is a valuable source of valuable bioactive compounds, most of which can be converted into value-added products. We herein review this conversion process and provide an outline on the chemical composition of PP and the possible value-added products that can be produced from this commonly discarded agro-waste. We have also discussed its use as a substrate to produce medicinal compounds and bioactive phenolic compounds (e.g., phenolic acids, flavonoids, vitamin C, fertilizers, dietary fibers, and tannins) as well as its use in nanomaterial synthesis. Based on available evidence, it is obvious that PP has a wide variety of applications, and thus, developing an efficient system to utilize PP adequately will help to completely utilize its potential benefits. The biorefinery approach shows promising potential for efficient utilization of PP; however, additional studies should be conducted in this area. {\textcopyright} 2016, Springer Science+Business Media Dordrecht.
}, issn = {1877-2641}, doi = {10.1007/s12649-016-9668-0}, author = {Pathak, P. D. and Mandavgane, S. A. and Kulkarni, B. D.} } @article {44006, title = {Valorization of potato peel: a biorefinery approach}, journal = {Critical Reviews in Biotechnology}, year = {2017}, month = {JUN}, chapter = {1-13}, abstract = {
Potato is the fourth main crop consumed worldwide and is an important constituent in the human diet. Consequently, potato is widely used in food-processing industries. However, these industries generate massive amounts of potato peel (PP) as a by-product, which is usually considered a waste, and is discarded. Interestingly, recent research suggests that PP is a valuable source of bioactive compounds, which can be converted into value-added products. In this study, we review the physicochemical composition and valorization of PP. In addition to being used as a dietary fiber or medicine, the value-added products obtained by the fermentation of PP have multiple uses, including their use as adsorbents, biocomposites and packaging materials. These products can also be used in energy production, biopolymer film development, corrosion inhibition and the synthesis of cellulose nanocrystals. The biorefinery approach for PP will increase the value of this waste by producing an array of value-added products and reducing extensive waste generation.
}, keywords = {Bioactive compounds, Biorefinery, Potato peel, Valorization, Value-added products}, doi = {10.1080/07388551.2017.1331337}, author = {Pathak, P. D. and Mandavgane, S. A. and Puranik, N. M. and Jambhulkar, S. J and Kulkarni, B. D.} } @article {43551, title = {Vapor-liquid equilibrium data for binary mixtures of acetic acid plus anisole, acetone plus anisole, and isopropanol plus anisole at pressure 96.15 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {62}, year = {2017}, month = {MAR}, pages = {947-953}, abstract = {In this work, the vapor-liquid equilibrium (VLE) data have been generated at the local atmospheric pressure of 96.15 kPa for the binary systems acetic acid + anisole, acetone + anisole, and isopropanol + anisole. A circulation type apparatus was designed and developed with few modifications in one of the stills proposed in the literature. For the validation of the new apparatus, VLE data were generated for the known system of N,N-DMF + aniline and compared with the literature data. The VLE data, generated in Txy form for all pairs, were found to be consistent through the point-to-point consistency test. Activity coefficient models, Wilson, NRTL, and UNIQUAC, were fitted to these data using an objective function of minimizing the sum of deviation between experimental and calculated total pressures to estimate the binary interaction parameters. The model predictions with estimated parameters were compared with the experimental data and found appropriate.}, doi = {10.1021/acs.jced.6b00700}, author = {Mali, Nilesh A. and Mali, Pawan K. and Patil, Asmita P. and Joshi, Sunil S.} } @article {44407, title = {Vapor-liquid equilibrium data for binary mixtures of dimethyl carbonate with methyl acetate, ethyl acetate, n-propyl acetate, isopropyl acetate, n-butyl acetate, and isoamyl acetate at 93.13 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {62}, year = {2017}, month = {DEC}, pages = {4356-4363}, abstract = {Isobaric vapor-liquid equilibrium (VLE) data was measured at the local atmospheric pressure of 93.13 kPa for the binary systems of dimethyl carbonate (DMC) with methyl acetate, ethyl acetate, n-propyl acetate, isopropyl acetate, n-butyl acetate, and isoamyl acetate using a dynamic recirculation still. VLE data was generated in the form of T-x,y and was checked for thermodynamic consistency using the Herington area test, Van Ness test, and mean absolute deviation between experimental and calculated total pressure and vapor phase composition. Data for all pairs meet the criteria for thermodynamic consistency and were found suitable for process modeling. Binary interaction parameters for the Wilson, nonrandom two-liquid (NRTL), and universal quasichemical (UNIQUAC) activity coefficient models were determined using the objective function of minimizing the deviation between the experimental and the calculated vapor phase composition and total pressure. For all binary systems, Wilson, NRTL, and UNIQUAC models gave good predictions. Azeotropic behavior was observed for the isopropyl acetate-DMC pair at 357.8 K and 0.6 mole fraction of isopropyl acetate.}, doi = {10.1021/acs.jced.7b00704}, author = {Mali, Nilesh A. and Yadav, Satyajeet S. and Ghuge, Pravin D. and Joshi, Sunil. S.} } @article {44029, title = {Viable alternative in vitro system and comparative metabolite profiling of different tissues for the conservation of ceropegia karulensis}, journal = {Plant Cell, Tissue and Organ Culture}, year = {2017}, month = {AUG}, pages = {1-15}, type = {Article}, abstract = {Abstract: Ceropegia karulensis is an endemic and critically endangered plant of the Western Ghats from India. Exploitation of the tubers and poor regeneration from seed has narrowed distribution and propagation of the species. There is a need to develop in vitro propagation methods for C. karulensis to alleviate these problems. Here, we optimized callus induction, somatic embryogenesis and microtuberization from different seedling explants viz. cotyledonary leaf and root. The environmental scanning electron microscopy was used to observe somatic embryonic origin and their developmental stages. Highest callus proliferation was recorded with 2 {\textmu}M 6-benzylaminopurine and 1 {\textmu}M 2,4-dichlorophenoxyacetic acid. Somatic embryos derived from cotyledonary leaf explants were more proliferative than root explants. The combination of 2 {\textmu}M 6-benzylaminopurine, 2 {\textmu}M naphthalene acetic acid and 7\% sucrose in MS media resulted in highest microtuberization. Further, gas chromatography-mass spectrometry based metabolic profiling was carried out from native wild plants and in vitro callus tissues which identified various phytochemicals such as alkaloids, fatty acids, esters alcohols, etc. Multivariate analysis revealed the chemical disparities, where considerable variations were observed between native wild type and in vitro tissues, but no significant differences were found among in vitro callus from both root and cotyledonary explants. Overall, our results suggested that the production of various secondary metabolites found in C. karulensis was not affected by in vitro propagation and could be utilized in the conservation strategies for this plant. Graphical Abstract: [Figure not available: see fulltext.]}, keywords = {alkaloids, Metabolites}, doi = {10.1007/s11240-017-1292-6}, author = {Pandey, M. and Jayaramaiah, R.H. and Dholakia, B.B and Punekar, S.A. and Giri, A.P.} } @conference {45757, title = {VIMAL: A chemoinformatics toolkit for design of novel antiviral agents through textmining of scientific literature}, booktitle = {253rd National Meeting of the American-Chemical-Society (ACS) on Advanced Materials, Technologies, Systems, and Processes}, year = {2017}, month = {APR }, publisher = {Amer Chemical Soc, 1155 16TH ST, NW, Washington, DC 20036 USA}, organization = {Amer Chemical Soc, 1155 16TH ST, NW, Washington, DC 20036 USA}, address = {San Francisco, CA}, author = {Karthikeyan, Muthukumarasamy and Pahujani, Rakhi and Vyas, Renu} } @article {45688, title = {Visible-light active catechol-metal oxide carbonaceous polymeric material for enhanced photocatalytic activity}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {JAN}, pages = {384-396}, type = {Article}, abstract = {
esigning new materials for sustainable energy and environmental applications is one of the prime focuses in chemical science. Here, an unprecedented visible-light active catechol-TiO2 carbonaceous polymer based organic-inorganic hybrid material was synthesized by a photosynthetic route. The visible light induced (\> 400 nm) photosynthetic polymerization of catechol led to the formation of carbonaceous polymeric deposits on the surface of TiO2. The band gap energy of hybrids was shifted to the visible region by orbital hybridization between 3d(Ti) of TiO2 and 2p(O), pi(C) of catechol. The Tauc plot clearly revealed that 1.0 wt\% catechol-TiO2 carbonaceous polymer remarkably tailored the optical band gap of TiO2 from 3.1 eV to 1.9 eV. The synthesized hybrid materials were thoroughly characterized and their photocatalytic activity was evaluated towards toxic Cr(VI) to relatively less toxic Cr(III) reduction under visible light irradiation (\> 400 nm), and solar light-driven H-2 production through water splitting. Very interestingly, the hybrid material showed 5- and 10-fold enhanced activity for photocatalytic Cr(VI) reduction and solar light-driven H-2 production respectively compared with pure TiO2. Moreover, the hybrid materials showed enhanced stability during photocatalysis. Thus, the simple photosynthetic strategy for developing light harvesting organic-inorganic hybrid materials can open up potential applications in energy and environmental remediation.
}, doi = {10.1039/c6ta07685h}, author = {Karthik, P. and Vinoth, R. and Selvam, P. and Balaraman, E. and Navaneethan, M. and Hayakawa, Y. and Neppolian, B.} } @article {43936, title = {Vitro study of novel microparticle based silk fibroin scaffold with osteoblast-like cells for load-bearing osteo-regenerative applications}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {MAY}, pages = {26551 - 26558}, type = {Article}, abstract = {Silk Fibroin (SF) is today considered to be one of the most favorable materials for bone tissue engineering. We have prepared novel SF microparticle based 3D scaffolds, with appropriate pore size, pore interconnectivity and porosity, excellent mechanical properties and tunable bioresorption, while retaining the inherent biocompatibility of SF. These properties make them ideal candidates for osteoregenerative applications. Here, we report the in vitro cell viability, cell adhesion and proliferation with osetoblastic differentiation of MG 63 osteoblast-like cell line on these scaffolds. In addition, we have also modified the surface of these scaffolds using collagen type I and chitosan biopolymers. Our results show that although the SF scaffold does support in vitro cell attachment, proliferation and differentiation, this performance can be further enhanced using the surface coating approach. Also, the ALP activity and bone mineralization was found to be particularly superior in the chitosan modified scaffolds.}, doi = {10.1039/c7ra03288a}, author = {Parekh, Nimisha Anant and Hushye, Chandni and Warunkar, Saniya and Gupta, Sayam Sen and Nisal, Anuya} } @article {43814, title = {Water mediated deactivation of Co3O4 naonrods catalyst for CO oxidation and resumption of activity at and above 373 K: electronic structural aspects by NAPPES}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {SEP}, pages = {20296{\textendash}20305}, type = {Journal Article}, chapter = {20296-20305}, abstract = {
The catalytic activity of the Co3O4 nanorods (NRs) for the CO oxidation reaction and the effect of water on the catalytic reaction have been explored with near-ambient pressure photoelectron spectroscopy (NAPPES) and mass spectral analysis. Comparative NAPPES studies have been employed to understand the elucidation of the catalytic reaction pathway and the evolution of various surface species. The results confirm the suppression of the CO oxidation activity on the Co3O4 NRs in the presence of water vapor. Various type of surface species, such as CO(ads), hydroxyl, carbonate, formate, are found to be present on the catalyst surface depending on the reaction conditions. Vibrational features of CO, O-2, and CO, were observed and shift in binding energy of these features under the reaction conditions directly suggests a change in work function of the catalyst surface. Under dry conditions, CO couples with labile 0 atoms to form CO2; however, under wet conditions, CO predominantly interacts with surface OH groups resulting in the formation of carbonate and formate intermediates. In situ studies of oxidation of CO on Co3O4 shows that CO oxidation depends not only on surface Co3+ concentration but also influenced by Co-3/Co{\textquoteright} ratio on the catalyst surface. The carbonate was found to be a reaction inhibitor at room temperature; however, it acts as an active intermediate at 375 K and above. Above the boiling point of water, Co3O4 NR surfaces begin to show the oxidation activity even in the presence of water vapor. The intrinsic role of intermediate species was used to derive a possible reaction mechanism under different reaction conditions.
}, keywords = {Ambinent-temprature, carbon monoxide, Gas Shift, H Activation, In-situ, Low-temprature oxidation, Molecular-beam, Performance enhancement, Ray Photoelectron-Spectroscopyu, Thin-films}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b05480}, author = {Jain, Ruchi and Reddy, Kasala Prabhakar and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S.} } @article {43965, title = {X-ray structure, spectral characteristics, thermal and redox behavior of quinoline encapsulated in sulfonatocalix[4]arene}, journal = {Journal of Molecular Liquids}, volume = {246}, year = {2017}, month = {NOV}, pages = {187-196}, type = {Journal Article}, keywords = {Crystal Structure Analysis, Partial Encapsulation, single crystal X-ray diffraction, Spectral Characteristics, Sulfanatocalixarene, Theoretical Calculations}, doi = { 10.1016/j.molliq.2017.09.061}, author = {Thorave, R. G.}, editor = {Lande, D.N.} } @article {44409, title = {Ziegler{\textendash}Natta polymerization and the remaining challenges}, journal = {Resonance}, year = {2017}, month = {NOV}, abstract = {Polymers have become indispensable in the 21st century, and today we cannot imagine life without them. However, till around the beginning of the last century, the science of polymers was considered a very primitive discipline, and majority of the scientific community did not believe that polymers even existed. Hermann Staudinger, among others, fought a long battle to convince the scientific community that polymers are real and that they are long chain molecular entities. Building on this rational bedrock of polymer science, Prof. Karl Ziegler laid the foundation of ethylene polymerization. As outlined by Dr. Sivaram in his articles on Ziegler and Natta, careful observations and systematic analyses of serendipitous results enabled Ziegler to deveop the enormously significant {\textquoteleft}Mulheim atmospheric polyethylene process{\textquoteright}. A decade later, {\textasciidieresis} Cossee and Arlman revealed the mechanism of this polymerization reaction, which is called {\textquoteleft}insertion polymerization{\textquoteright}. Insertion polymerization is popularly known as the {\textquoteleft}Ziegler{\textendash} Natta polymerization{\textquoteright}, in recognition of its founding fathers. Today, the world produces about 180 million tons of polyolefins annually, and polyethylene or polythene has become a household name.}, author = {Chikkali, Samir H.} } @article {44408, title = {ZnO{\textendash}ZnS heterojunctions: a potential candidate for optoelectronics applications and mineralization of endocrine disruptors in direct sunlight}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {OCT}, pages = {6768{\textendash}6781}, type = {Article}, abstract = {
Simple solution combustion synthesis was adopted to synthesize ZnO{\textendash}ZnS (ZSx) nanocomposites using zinc nitrate as an oxidant and a mixture of urea and thiourea as a fuel. A large thiourea/urea ratio leads to more ZnS in ZSx with heterojunctions between ZnS and ZnO and throughout the bulk; tunable ZnS crystallite size and textural properties are an added advantage. The amount of ZnS in ZSx can be varied by simply changing the thiourea content. Although ZnO and ZnS are wide band gap semiconductors, ZSx exhibits visible light absorption, at least up to 525 nm. This demonstrates an effective reduction of the optical band gap and substantial changes in its electronic structure. Raman spectroscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and secondary-ion mass spectrometry results show features due to ZnO and ZnS and confirm the composite nature with heterojunctions. The above mentioned observations demonstrate the multifunctional nature of ZSx. Bare ZSx exhibits a promising sunlight-driven photocatalytic activity for complete mineralization of endocrine disruptors such as 2,4-dichlorophenol and endosulphan. ZSx also exhibits photocurrent generation at no applied bias. Dye-sensitized solar cell performance evaluation with ZSx shows up to 4\% efficiency and 48\% incident photon conversion efficiency. Heterojunctions observed between ZnO and ZnS nanocrystallites in high-resolution transmission electron microscopy suggest the reason for effective separation of electron{\textendash}hole pairs and their utilization.
}, doi = {10.1021/acsomega.7b01172}, author = {Perumal Devaraji and Maitri Mapa and Hasna M. Abdul Hakkeem and Vediappan Sudhakar and Kothandam Krishnamoorthy and Chinnakonda S. Gopinath} } @article {45522, title = {1H, 13C and 15N NMR assignments of two plant protease inhibitors (IRD7 and IRD12) from the plant capsicum annuum.}, journal = {Biomolecular NMR Assignments}, volume = {13}, year = {2018}, month = {APR}, pages = {31-35}, type = {Article}, abstract = {
Helicoverpa species are polyphagous pests, with the larval stages causing major damage to economically valuable crops such as cotton, tomato, corn, sorghum, peas, sunflower, wheat and other pulses. Over the years, Helicoverpa armigera has developed resistance to most classes of chemical insecticides, and consequently it is now largely controlled on cotton plants via the use of Bt transgenic crops that express insecticidal Cry toxins which in-turn expedited resistance development in a number of pest species including H. armigera. In a hope to provide other eco-friendly alternatives solutions to counter the effect of the pest, people have identified a number of protease inhibitors (PIs) from the domesticated capsicum species Capsicum annuum, several of which potently inhibited H. armigera gut proteases and impeded growth of H. armigera larva. With a view to explore and enhance the specific nature or properties of these PIs on the mechanism of inhibition, structural and functional characterization of these PIs are inevitable. Towards this goal, we have carried out complete 1H, 13C and 15N resonance assignments of two of these PIs, identified as IRD7 and IRD12, using a suite of 2D and 3D multi-dimensional and multi-nuclear NMR experiments.
}, keywords = {Bt transgenic, Hetero-nuclear NMR, inhibitory repeating domains, Protease inhibitors (PIs), Resonance assignments}, issn = {1874-2718}, doi = {10.1007/s12104-018-9846-z}, author = {Gartia, J. and Barnwal, R.P. and Anangi, R. and Giri, A.R. and King, G. and Chary, K.V.R.} } @article {45505, title = {2D layered transition metal dichalcogenides (MoS2): Synthesis, applications and theoretical aspects}, journal = {Applied Materials Today}, volume = {13}, year = {2018}, month = {DEC}, pages = {242-270}, type = {Article}, abstract = {Recently, graphene and other two-dimensional (2D) transition metal dichalcogenides (TMDCs) have been widely explored due to their unique optical, mechanical, electrical and sensing properties for versatile electronic and optoelectronic applications. The atomically thin layers of TMDC materials have shown potential to replace state-of-the-art silicon-based technology. Graphene has already revealed an excess of new physics and multifaceted applications in several areas. Similarly, mono-layers of TMDCs such as molybdenum disulfide (MoS2) have also shown excellent electrical and optical properties possessing a direct band-gap of \~{}1.8 eV combined with high mechanical flexibility. In contrast to semi-metallic graphene, the semiconducting behavior of MoS2 allows it to overcome the deficiencies of zero-band-gap graphene. This review summarizes the synthesis of 2D MoS2 by several techniques, i.e., mechanical and chemical exfoliation, RF-sputtering, atomic layer deposition (ALD) and chemical vapor deposition (CVD), etc. Furthermore, extensive studies based on potential applications of MoS2 such as the sensor, solar cells, field emission and as an efficient catalyst for hydrogen generation has been included. Theoretical aspects combined with the experimental observations to provide more insights on the dielectric, optical and topological behavior of MoS2 was highlighted. }, issn = {23529407}, doi = {10.1016/j.apmt.2018.09.003}, author = {Singh, A.K. and Kumar, P. and Late, D.J. and Kumar, A. and Patel, S. and Singh, J.} } @article {45453, title = {2D molecular precursor for a one-pot synthesis of semiconducting metal sulphide nanocrystals}, journal = {Bulletin of Materials Science}, volume = {41}, year = {2018}, month = {OCT}, type = {Article}, abstract = {2D molecular materials, namely, metal alkyl thiolates, have been used as a single-source precursor for the synthesis of semiconducting metal sulphide nanocrystals (NCs) by thermal decomposition. These 2D molecular precursors have all the ingredients required for metal sulphide synthesis (metal source, sulphur source and protecting ligand). In this study, we demonstrate a simple and general solvothermal decomposition{\textquoteright} approach for the synthesis of high-quality , PbS, CdS, MnS and ZnS NCs. The size of the NC can also be controlled by changing the decomposition temperature. Furthermore, the optical properties of the NCs have also been studied. }, issn = {0250-4707}, doi = {10.1007/s12034-018-1639-6}, author = {Bera, Abhijit and Prasad, Bhagavatula L. V.} } @article {45362, title = {Accelerated and enantioselective synthesis of a library of p-stereogenic urea phosphines}, journal = {European Journal Of Organic Chemistry}, year = {2018}, month = {DEC}, pages = {6768-6779}, type = {Article}, abstract = {Chiral phosphorus ligands play a central role in majority of the asymmetric transformations. However, access to chiral phosphorus ligands is limited due to their challenging synthesis. Reported here is a highly efficient and accelerated catalytic asymmetric synthesis of P-stereogenic urea containing phosphines leading to a small library of 18 chiral phosphorus compounds. Characteristic two doublets in a P-31 NMR spectrum, spectroscopic and analytical evidences authenticated the formation of [Pd-{(S,S) Me-FerroLANE}(m-phenylurea)(I)] complex. Indeed, [Pd-{(S,S) Me-FerroLANE}(m-phenylurea)(I)] was found to catalyze the C-P coupling reaction and quantitative conversion was observed within 18 hours. Under optimized conditions, iodophenyl urea{\textquoteright}s (2a-2j) were treated with secondary phosphines (1a-1c) in presence of [Pd-{(S,S) Me-FerroLANE}(m-phenylurea)(I)] to obtain P-stereogenic urea phosphines 5a-5r. The identity of these urea derived phosphines was unambiguously ascertained using a combination of spectroscopic and analytical methods. The catalyst tolerated various functional groups and yielded corresponding urea containing phosphines with an enantiomeric excess in the range of 15-62 \%.}, issn = { 1434-193X}, doi = {10.1002/ejoc.201801309}, author = {Koshti, Vijay S. and Gote, Ravindra P. and Chikkali, Samir H.} } @article {44416, title = {Accelerated in vitro model for occlusion of biliary stents: investigating the role played by dietary fibre}, journal = {BMJ Innovations}, volume = {4}, year = {2018}, month = {NOV}, abstract = {ackground To develop a new accelerated in vitro model that has implications for investigating the mechanism of biliary stent occlusion and help in the development of new materials that can alleviate this problem. Methods We employ a combination of reconstituted animal bile, bacteria and cellulose fibres optimised to reproducibly generate accelerated occlusion of stents, and produce occlusions that closely mimic those found in clinical studies. Results Our model affords repeatable, highly accelerated occlusion (within 2{\textendash}3 days, compared with between about a week to 2 months in previous models). Our results highlight the role of dietary fibre in blockage of stents and demonstrate their importance in the onset of occlusion. Conclusions This accelerated model may have implications for developing biliary stents with enhanced patency.}, doi = {dx.doi.org/10.1136/bmjinnov-2017-000209}, author = {Surwase, Sachin and Balakrishnan, Harishankar and Acharya, Subrat K. and Makharia, Govind K. and Kumaraswamy, Guruswamy and Bhagavatula L. V. Prasad} } @article {44417, title = {Access to silicon(II)- and germanium(II)-indium compounds}, journal = {Organometallics}, volume = {37}, year = {2018}, month = {APR}, pages = {1206-1213}, abstract = {Despite the remarkable ability of N-heterocyclic silylene to act as a Lewis base and form stable Lewis adducts with group 13 elements such as boron, aluminum, and gallium, there has been no such comparable investigation with indium and the realization of a stable silylene-indium complex has still remained elusive. Similarly, a germylene-indium complex is also presently unknown. We describe herein the reactions of [PhC(NtBu)(2)SiN-(SiMe3)(2)] (1) and [PhC(NtBu)(2)GeN(SiMe3)(2)] (4) with InCl3 and InBr3 that have resulted in the first silylene-indium complexes, [PhC(NtBu)(2)Si{N(SiMe3)(2)}-> InCl3] (2) and [PhC(NtBu)(2)Si{N(SiMe3)(2)}-> InBr3] (3), as well as the first germylene-indium complexes, [PhC(NtBu)(2)Ge{N(SiMe3)(2)}-> InCl3] (5) and [PhC(NtBu)(2)Ge{N(SiMe3)(2)}-> InBr3] (6). The solid-state structures of all species have been validated by single-crystal X-ray diffraction studies. Note that 5 and 6 are the first structurally characterized organometallic compounds that feature a Ge-In single bond (apart from the compounds in Zintl phases). Theoretical calculations reveal that the Si(II)-> In bonds in 2 and 3 and the Ge(II)-> In bonds in 5 and 6 are dative bonds.}, doi = {10.1021/acs.organomet.8b00093}, author = {Pahar, Sanjukta and Karak, Suvendu and Pait, Moumita and Raj, K. Vipin and Vanka, Kumar and Sen, Sakya S.} } @article {45428, title = { Accessing alpha-arylated nitriles via BF3 center dot OEt2 catalyzed cyanation of para-quinone methides using tert-butyl isocyanide as a cyanide source}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {OCT}, pages = {12305-12314}, type = {Article}, abstract = {BF3 center dot OEt2 catalyzed 1,6-conjugate addition of tertbutyl isocyanide to para-quinone methides and fuchsones for the synthesis of alpha-diaryl and alpha-triaryl nitriles has been reported. This protocol allows alpha-diaryl- and alpha-triaryl nitriles to be accessed in good to excellent yields and with a broad substrate scope, which could be further functionalized to give a versatile set of products. This is the first example wherein tert-butyl isocyanide has been used as a cyanide source for the 1,6-conjugate addition.}, issn = { 0022-3263}, doi = {10.1021/acs.joc.8b01926}, author = {Shirsath, Sachin R. and Shinde, Ganesh H. and Shaikh, Aslam C. and Muthukrishnan, M.} } @article {44418, title = {Acid modified H-USY zeolite for efficient catalytic transformation of fructose to 5-hydroxymethyl furfural (biofuel precursor) in methyl isobutyl ketone-water biphasic system}, journal = {Energy Fuels}, volume = {32}, year = {2018}, month = {FEB}, pages = {3783{\textendash}3791}, abstract = {Sustainable process and efficient heterogeneous acid catalyst for the preparation of platform chemicals like 5-hydroxymethyl furfural (5-HMF) from renewable source is much in demand in the context of heterogeneous catalysis. Commercially available solid acid catalyst, H-USY zeolite was modified by treating with aqueous solution of H3PO4 and H2SO4 (10{\textendash}30 wt \%). Modified H-USY was completely characterized by XRD, NH3-TPD, energy dispersive analysis X-ray (EDAX), FT-IR, pyridine-IR, and NMR. Its catalytic performance was evaluated for the fructose conversion to 5-HMF in methyl isobutyl ketone (MIBK){\textendash}water system. Modified H-USY zeolite was identified to have potential in enhancement of 5-HMF yield up to 65\% from 32\% (parent H-USY) with minimum formation of furfural (8\%). H-USY modified with 10 wt \% H3PO4 (10P{\textendash}Y) was found to be the best compared to other studied catalysts, namely, H-USY modified with 20 and 30 wt \% H3PO4 (20 and 30P{\textendash}Y) or 10{\textendash}30 wt \% H2SO4 (10- to 30S{\textendash}Y). Best performance of 10P{\textendash}Y is associated with the optimum combination of moderate acidity (both weak as well as strong), moderate dealumination of Al from extra-framework sites as well as from framework sites of H-USY, formation of new Al{\textendash}O{\textendash}P bonds between framework Al and elemental monomeric phosphorus, presence of Br{\o}nsted as well as Lewis acidity, and creation of mesopores. This gives new insight on a potential heterogeneous acid catalyst for the synthesis of 5-HMF.}, doi = {10.1021/acs.energyfuels.7b03684}, author = {Pande, Ashwini and Niphadkar, Prashant and Pandare, Kiran and Bokade, Vijay} } @article {45416, title = {Activation of HRI is mediated by Hsp90 during stress through modulation of the HRI-Hsp90 complex}, journal = {International Journal of Biological Macromolecules}, volume = {118}, year = {2018}, month = {OCT}, pages = {1604-1613}, type = {Article}, abstract = {Heme Regulated Inhibitor (HRI) is known to get activated in various stresses such as heme deficiency, heat shock, heavy metal toxicity etc. Heat shock protein 90 (Hsp90), a ubiquitous cytoplasmic protein interacts with HRI in order to regulate protein synthesis. However, it still remains to establish this interaction of HRI and Hsp90 at cellular levels and how this modulation of HRI activity is mediated by Hsp90 during stress. In the present report, using co-immunoprecipitation analysis we show that HRI interacts with Hsp90 and this association is independent of other co-chaperones in in vitro conditions. Further, analysis using truncated domains of HRI revealed that the K1 subdomain is essential for HRI - Hsp90 complex formation. Our in silico protein - protein interaction studies also indicated interaction of Hsp90 with K1 subdomain of HRI. Mammalian two hybrid assay validated this HRI - Hsp90 interaction at cellular levels. When the in vitro kinase assay was carried out with the co-immunoprecipitated complex of HRI - Hsp90, an increase in the kinase activity was observed resulting elevated levels of eIF2 alpha phosphorylation upon heavy metal stress and heat shock. Thus, our results clearly indicate modulation of HRI kinase activity with simultaneous Hsp90 association under stress conditions. (C) 2018 Elsevier B.V. All rights reserved.}, issn = { 0141-8130}, doi = {10.1016/j.ijbiomac.2018.06.204}, author = {Berwal, Sunil K. and Bhatia, Varsha and Bendre, Arneya and Suresh, C. G. and Chatterjee, Sangeeta and Pal, Jayanta K.} } @article {44162, title = {Active and durable alkaline earth metal substituted perovskite catalysts for dry reforming of methane}, journal = {Applied Catalysis B - Environmental}, volume = {224}, year = {2018}, month = {MAY}, pages = {146-158}, type = {Article}, abstract = {Dry reforming of methane is an important process for the utilization of CO2 and to get valuable synthesis gas. Alkaline earth metal substituted MZr1-xNixO3-delta perovskites were synthesized by citrate gel method, characterized and evaluated for dry reforming methane. Characterization results show that the type of alkaline earth substituted at the A site of the perovskite oxide plays an important role in terms of structure, basicity, oxygen deficiency and Ni dispersion. Calcium substituted CaZr0.8Ni0.2O3-delta catalyst shows superior activity in terms of high CH4 and CO2 conversion, while maintaining the activity even after 500 h of reaction. Mechanistic investigations were carried out using transient pulse experiments and insitu FTIR-diffuse reflectance spectroscopy. These experiments reveal that redox property and basicity play important role in activation and sustaining the reforming reaction. Insitu FTIR measurements show that surface hydroxyl groups of the support are vital for high activity and durability of CaZr0.8Ni0.2O3-delta catalyst. XRD and TGA analysis of catalysts after reaction show the structures are retained, but peaks pertaining to coke were observed on SrZr0.8Ni0.2O3-delta and BaZr0.8Ni0.2O3-delta catalysts. On the otherhand, CaZr0.8Ni0.2O3-delta catalyst had only amorphous carbon even after 500 h of reaction. HRTEM studies revealed that SrZr0.8Ni0.2O3-delta and BaZr0.8Ni0.2O3-delta catalysts deactivated mostly due to the formation of carbon nanotubes with Ni embedded in them. Raman and XPS analysis helped in identifying types of coke precursors present on the catalysts. The investigation also illustrate that type of carbon formed depends on the basicity of perovskite oxide, metal to support interaction, Ni crystallite size, surface hydroxyl groups and oxygen defects. This study clearly demonstrated that CaZr0.8Ni0.2O3-delta is an excellent catalyst for dry reforming reaction with long life.}, doi = {10.1016/j.apcatb.2017.10.048}, author = {Dama, Srikanth and Ghodke, Seema R. and Bobade, Richa and Gurav, Hanmant R. and Chilukuri, Satyanarayana} } @article {44385, title = {Advanced glycation end products modulate amyloidogenic APP processing and tau phosphorylation: a mechanistic link between glycation and the development of alzheimer{\textquoteright}s disease}, journal = {ACS Chemical Neuroscience}, volume = {9}, year = {2018}, month = {MAY}, pages = {988-1000}, abstract = {Advanced glycation end products (AGEs) are implicated in the pathology of Alzheimer{\textquoteright}s disease (AD), as they induce neurodegeneration following interaction with the receptor for AGE (RAGE). This study aimed to establish a mechanistic link between AGE-RAGE signaling and AD pathology. AGE-induced changes in the neuro2a proteome were monitored by SWATH-MS. Western blotting and cell-based reporter assays were used to investigate AGE-RAGE regulated APP processing and tau phosphorylation in primary cortical neurons. Selected protein expression was validated in brain samples affected by AD. The AGE-RAGE axis altered proteome included increased expression of cathepsin B and asparagine endopeptidase (AEP), which mediated an increase in A beta(1-)(42) formation and tau phosphorylation, respectively. Elevated cathepsin B, AEP, RAGE, and pTau levels were found in human AD brain, coincident with enhanced AGEs. This study demonstrates that the AGE-RAGE axis regulates A beta(1-)(42) formation and tau phosphorylation via increased cathepsin B and AEP, providing a new molecular link between AGEs and AD pathology.}, doi = {10.1021/acschemneuro.7b00410}, author = {Batkulwar, Kedar and Godbole, Rashmi and Banarjee, Reema and Kassaar, Omar and Williams, Robert J. and Kulkarni, Mahesh J.} } @article {45443, title = { Albumin abundance and its glycation Status determine hemoglobin glycation}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {OCT}, pages = {12999-13008}, type = {Article}, abstract = {Diabetes diagnosis and management majorly depend upon the measurement of glycated hemoglobin (HbAlc) levels. Various factors influence HbAlc levels such as the use of various analytical methods and the presence of various clinical conditions. Plasma albumin levels were known to be negatively associated with HbAlc. However, the precise mechanism by which they affect HbAlc is not well{\textquoteright} understood. Therefore, we have studied the influence of albumin levels and its glycation status on hemoglobin glycation using erythrocyte culture experiments. Erythrocytes maintained at low albumin concentration exhibited relatively increased albumin and hemoglobin glycation as compared to that in those maintained at higher albumin concentration. Increase in albumin glycation may decrease its ability to protect hemoglobin glycation. This was demonstrated by treatment of erythrocytes with N(epsilon-(carboxymethyl)lysine-modified serum albumin (CMSA), which failed to protect hemoglobin glycation; instead, it increased hemoglobin glycation. The inability of CMSA to reduce hemoglobin glycation was due to the lack of free lysine residues of albumin, which was corroborated by using N(epsilon-(acetyI)lysine serum albumin (AcSA) and clinical diabetic plasma. This is the first study which demonstrates that the modification of lysine residues of albumin impairs its ability to inhibit hemoglobin glycation. Furthermore, correlation studies between HbAlc and albumin levels or relative albumin fructosamine from clinical subjects supported our experimental finding that albumin abundance and its glycation status influence hemoglobin glycation. Therefore, we propose albumin level and its glycation status to be quantified in conjunction with HbAlc for better management of diabetes.}, doi = {10.1021/acsomega.8b01702}, author = {Jagadeeshaprasad, Mashanipalya G. and Venkatasubramani, Vinashya and Unnikrishnan, Ambika G. and Kulkarni, Mahesh J.} } @article {45350, title = {Alkaline earth metal compounds of methylpyridinato beta-diketiminate ligands and their catalytic application in hydroboration of aldehydes and ketones}, journal = {Organometallics }, volume = { 37}, year = {2018}, month = {DEC}, pages = {4576-4584}, type = {Article }, abstract = {
Ever increasing demand for green and sustainable chemical processes has set up a drive to replace transition metals with earth-abundant, nontoxic, and environmentally benign alternatives. In this regard, the alkaline earth metal complexes have attracted significant attention. Herein, we have used a beta-diketiminato ligand with methyl-pyridine side arm to synthesize magnesium (1) and calcium (2) compounds. The constitutions of 1 and 2 have been confirmed by single crystal X-ray studies, which show that the magnesium and calcium atom in 1 and 2 possesses octahedral geometry. Subsequently, we have used them as catalysts (1 mol \%) for hydroboration of a wide range of aldehydes using pinacolborane (HBpin) at room temperature. The strategy has further been extended to ketones with 2 mol \% catalyst loading. DFT calculations have been performed to understand the mechanism.
}, issn = {0276-7333}, doi = {10.1021/acs.organomet.8b00568}, author = {Yadav, Sandeep and Dixit, Ruchi and Bisai, Milan Kumar and Vanka, Kumar and Sen, Sakya S.} } @article {44419, title = {Aluminium oxide supported on SBA15 molecular sieves as potential lewis acid catalysts for epoxidering opening using aniline}, journal = {Catalysis Letters}, volume = {148}, year = {2018}, month = {MAY}, pages = {1407-1415}, abstract = {A series of aluminium oxide (Al2O3)-supported SBA-15 molecular sieves were prepared using a one-step wet-impregnation method. Powder X-ray diffraction, nitrogen adsorption/desorption, infrared spectroscopy and ammonia TPD were used to investigate the structures and chemical natures of the surface-bound species. The FT-IR studies of metal-impregnated SBA-15 materials revealed strong covalent interaction of Al2O3 on SBA-15 materials with strong Lewis acidic properties, evident from ammonia-TPD studies. The metal oxide-supported SBA-15 catalysts are active for epoxide ring opening with aniline at room temperature, and showed remarkably high stability and selectivity towards mono-alkylated products (about 86\%) viz., 1-(phenylamino)propan-2-ol and 2-(phenylamino)propan-1-ol. The catalytic activities remained intact after several recycles. The observed activities and selectivities were compared with other metal oxide-loaded SBA-15 catalysts obtained by similar preparation methods. Aluminium oxide supported SBA-15 molecular sieves were prepared using a one-step wet-impregnation method. The materials showed strong Lewis acidic sites and promising catalytic activity for epoxide ring opening with aniline at room temperature. }, doi = {10.1007/s10562-018-2366-8}, author = {Yadav, Rekha and Muralidhar, Akhila and Shamna, A. and Aghila, P. and Gurrala, Lakshmiprasad and Sakthivel, Ayyamperumal} } @article {45442, title = {Analyses of the internal transcribed rDNA spacers (ITS1 and ITS2) of Indian weevils of Odoiporus longicollis (Olivier) reveal gene flow between locations}, journal = {International Journal Of Tropical Insect Science}, volume = {38}, year = {2018}, month = {DEC}, pages = {313-329 }, type = {Article}, abstract = {An important step towards developing a successful integrated pest management (IPM) programme for the control of banana pseudostem weevil, Odoiporus longicollis (Olivier), a serious pest of banana in India, is the study of the population structure of the pest. In the present study, the genetic variation among 30 individual weevils of O. longicollis collected from six different locations was assessed by analysing the primary nucleotide sequences of the rDNA ITS1 and ITS2 regions. AMOVA, Mantel test, and the maximum likelihood trees of the haplotypes failed to reveal any phylogeographic structuring, which was confirmed by haplotype analysis and genetic differentiation estimates. The results indicate that the locations are not differentiated, i.e. there is gene flow between the locations. The star-shaped networks revealed a signature of demographic expansion that was confirmed by the different demographic tests. These results provide important information, which is essential for the development of suitable strategies for the control of this banana pest, as well as management of its resistance to insecticides.}, issn = {1742-7584}, doi = {10.1017/S1742758418000231}, author = {Kumar, Lalitha Sunil and Shankar, Pallavi and Kulkarni, Vishvas M.} } @article {44349, title = {Analysis of Kunitz inhibitors from plants for comprehensive structural and functional insights}, journal = {International Journal of Biological Macromolecules}, volume = {113}, year = {2018}, month = {JUL}, pages = {933-943}, type = {Article}, abstract = {Legume Kunitz type trypsin inhibitor (KTI) family is one of the most versatile families of proteins. A typical KTI features a single peptide folded in beta-trefoil manner, with the molecular weight about 20-22 kDa and two disulphide bonds. The members are known to inhibit a wide range of serpins proteases at the same time many of them possess unique features. Copaifera langsdoiffii Trypsin inhibitor (CTI) has a beta-trefoil fold made up of two non-covalently bound polypeptide chains with only a single disulfide bridge. Delonix regia Trypsin inhibitor (DrTI) has one amino acid insertion between P1 and P2 of the reactive site distorting its conformation. Bauhinia bauhinioides Cruzipain inhibitor (BbCI) has a conservative beta-trefoil fold but lacks disulfide bonds. Such subtle differences in structures make Kunitz inhibitors different from other inhibitor families. Most of the studies on these inhibitors are focused towards their proposed role in defense from insect pests and wounding but their exact physiological role in nature is still uncharted. Thus, it would be very interesting to closely analyze the structural details of these inhibitors in order to ascertain their biological role and other fascinating applications. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.ijbiomac.2018.02.148}, author = {Bendre, Ameya D. and Ramasamy, Sureshkumar and Suresh, C. G.} } @article {44422, title = {Analysis of tail-anchored protein translocation pathway in plants}, journal = {Biochemistry and Biophysics Reports }, volume = {14}, year = {2018}, month = {JUL}, pages = {161-167}, abstract = {Tail-anchored (TA) proteins are a special class of membrane proteins that carry out vital functions in all living cells. Targeting mechanisms of TA proteins are investigated as the best example for post-translational protein targeting in yeast. Of the several mechanisms, Guided Entry of Tail-anchored protein (GET) pathway plays a major role in TA protein targeting. Many in silico and in vivo analyses are geared to identify TA proteins and their targeting mechanisms in different systems including Arabidopsis thaliana. Yet, crop plants that grow in specific and/or different conditions are not investigated for the presence of TA proteins and GET pathway. This study majorly investigates GET pathway in two crop plants, Oryza sativa subsp. Indica and Solanum tuberosum, through detailed in silico analysis. 508 and 912 TA proteins are identified in Oryza sativa subsp. Indica and Solanum tuberosum respectively and their localization with respect to endoplasmic reticulum (ER), mitochondria, and chloroplast has been delineated. Similarly, the associated GET proteins are identified (Get1, Get3 and Get4) and their structural inferences are elucidated using homology modelling. Get3 models are based on yeast Get3. The cytoplasmic Get3 from O. sativa is identified to be very similar to yeast Get3 with conserved P-loop and TA binding groove. Three cytoplasmic Get3s are identified for S. tuberosum. Taken together, this is the first study to identify TA proteins and GET components in Oryza sativa subsp. Indica and Solanum tuberosum, forming the basis for any further experimental characterization of TA targeting and GET pathway mechanisms in crop plants. }, doi = {10.1016/j.bbrep.2018.05.001}, author = {Manu, M. S. and Ghosh, Deepanjan and Chaudhari, Bhushan P. and Ramasamy, Sureshkumar} } @article {44208, title = {Analysis of the anomalous mean-field like properties of Gaussian core model in terms of entropy}, journal = {Journal of Chemical Physics}, volume = {148}, year = {2018}, month = {JAN}, pages = {034504}, type = {Article}, abstract = {
Studies of the Gaussian core model (GCM) have shown that it behaves like a mean-field model and the properties are quite different from standard glass former. In this work, we investigate the entropies, namely, the excess entropy (Sex) and the configurational entropy (S-c) and their different components to address these anomalies. Our study corroborates most of the earlier observations and also sheds new light on the high and low temperature dynamics. We find that unlike in standard glass former where high temperature dynamics is dominated by two-body correlation and low temperature by many-body correlations, in the GCM both high and low temperature dynamics are dominated by many-body correlations. We also find that the many-body entropy which is usually positive at low temperatures and is associated with activated dynamics is negative in the GCM suggesting suppression of activation. Interestingly despite the suppression of activation, the Adam-Gibbs (AG) relation that describes activated dynamics holds in the GCM, thus suggesting a non-activated contribution in AG relation. We also find an overlap between the AG relation and mode coupling power law regime leading to a power law behavior of S-c. From our analysis of this power law behavior, we predict that in the GCM the high temperature dynamics will disappear at dynamical transition temperature and below that there will be a transition to the activated regime. Our study further reveals that the activated regime in the GCM is quite narrow. Published by AIP Publishing.
}, issn = {0021-9606}, doi = {10.1063/1.5013644}, author = {Nandi, Manoj Kumar and Bhattacharyya, Sarika Maitra} } @article {44423, title = {Analytical solutions of an isothermal two-dimensional model of a cathode flow channel in a proton exchange membrane fuel cell}, journal = {Chemical Engineering Science}, volume = {190}, year = {2018}, month = {NOV}, pages = {333-344}, type = {Article }, abstract = {Two key assumptions are usually made while deriving analytical solutions of coupled kinetics and transport equations in a single channel on the cathode plate of a proton exchange membrane fuel cell (PEMFC). These are: plug flow and uniform oxygen concentration along the depth of the channel. However these assumptions are not always valid under typical operating conditions of a PEMFC, and particularly so at high current density. In this article we relax these two assumptions and present approximate analytical solutions of the governing equations using the methodology of separation of variables followed by power series solution. Spatial profiles of oxygen concentration and current density were derived, which led to the final derivation of a comprehensive current-potential relationship (polarization curve) in the reaction-controlled regime of an operational PEMFC. We compare polarization curves predicted by the present model with predictions of the earlier analytical model and also with a complete 3D-simulation of the same flow geometry and operation conditions. The local profiles of oxygen concentration and the polarization curve predicted by the present model compare far better with the 3D simulations than the earlier analytical model. While this comparison highlights the importance of the effects of finite oxygen diffusion rate and velocity profile in the channel on the polarization curves, it also points to other important factors that affect the current-potential relation.}, doi = {10.1016/j.ces.2018.06.025}, author = {Thosar, Aniket U. and Lele, Ashish K.} } @article {44424, title = {Antibacterial and anti-TB tat-peptidomimetics with improved efficacy and half-life}, journal = {European Journal of Medicinal Chemistry}, volume = {152}, year = {2018}, month = {MAY}, pages = {358-369}, abstract = {Non-natural antimicrobial peptides are ideal as next-generation antibiotics because of their ability to circumvent the problems of drug resistance and in vivo instability. We report novel all-alpha- and alpha,gamma-mixed Tat peptide analogues as potential antibacterial and anti-TB agents. These peptides have broad spectrum antibacterial activities against Gram-positive (MICs 0.61 +/- 0.03 to 1.35 +/- 0.21 mu M with the peptide gamma TatM4) and Gram-negative (MICs 0.71 +/- 0.005 to 1.26 +/- 0.02 M with gamma TatM4) bacteria and are also effective against active and dormant forms of Mycobacterium tuberculosis, including strains that are resistant to rifampicin and isoniazid. The introduction of the non-natural amino acids of the study in the Tat peptide analogues results in increased resistance to degradation by proteolysis, significantly increasing their half-life. The peptides appear to inhibit bacteria by a membrane disruption mechanism, and have only a low cytotoxic effect on mammalian cells. (C) 2018 Elsevier Masson SAS. All rights reserved.}, doi = {10.1016/j.ejmech.2018.04.039}, author = {Bhosle, Govind S. and Nawale, Laxman and Yeware, Amar M. and Sarkar, Dhiman and Fernandes, Moneesha} } @article {44229, title = {Application of genetic programming (GP) formalism for building disease predictive models from protein-protein interactions (PPI) data}, journal = {IEEE-ACM Transactions on Computational Biology and Bioinformatics}, volume = {15}, year = {2018}, month = {FEB}, pages = {27-37}, type = {Article}, abstract = {
Protein-protein interactions (PPIs) play a vital role in the biological processes involved in the cell functions and disease pathways. The experimental methods known to predict PPIs require tremendous efforts and the results are often hindered by the presence of a large number of false positives. Herein, we demonstrate the use of a new Genetic Programming (GP) based Symbolic Regression (SR) approach for predicting PPIs related to a disease. In this case study, a dataset consisting of 135 PPI complexes related to cancer was used to construct a generic PPI predicting model with good PPI prediction accuracy and generalization ability. A high correlation coefficient (CC) magnitude of 0.893, and low root mean square error (RMSE), and mean absolute percentage error (MAPE) values of 478.221 and 0.239, respectively, were achieved for both the training and test set outputs. To validate the discriminatory nature of the model, it was applied on a dataset of diabetes complexes where it yielded significantly low CC values. Thus, the GP model developed here serves a dual purpose: (a) a predictor of the binding energy of cancer related PPI complexes, and (b) a classifier for discriminating PPI complexes related to cancer from those of other diseases.
}, keywords = {Binding energy, cancer, Disease, genetic programming, machine learning, protein-protein interactions, symbolic regression}, issn = {1545-5963}, doi = {10.1109/TCBB.2016.2621042}, author = {Vyas, Renu and Bapat, Sanket and Goel, Purva and Karthikeyan, Muthukumarasamy and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @article {44191, title = {Application of sulfur ylides in 1,2-difunctionalization of arynes via insertion into a C-S sigma-bond}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {FEB }, pages = {848-851}, type = {Article}, abstract = {
A novel reactivity of sulfur ylides has been demonstrated in a transition-metal-free protocol to access ortho-substituted thioanisole derivatives by insertion of arynes into a C-S sigma-bond in moderate to good yields. The reaction involves the formation of C-C and C-S bonds and consecutive breaking of two C-S bonds under operationally mild reaction conditions.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.7b04003}, author = {Ahire, Milind M. and Thoke, Mahesh B. and Mhaske, Santosh B.} } @article {44214, title = {Aqueous dispersions of lipid nanoparticles wet hydrophobic and superhydrophobic surfaces}, journal = {Soft Matter}, volume = {14}, year = {2018}, month = {JAN }, pages = {205-215}, type = {Article}, abstract = {
Efficient delivery of aqueous sprays to hydrophobic surfaces is the key technological challenge in a wide variety of applications, including pesticide delivery to plants. To account for losses due to bouncing of pesticide sprays off hydrophobic leaf surfaces, a large excess of pesticide is typically employed, resulting in environmentally hazardous run-offs that contaminate soil and ground water. We demonstrate that aqueous dispersions of glycerol monooleate nanoparticles, called cubosomes, wet hydrophobic and superhydrophobic surfaces and adhere to them. Cubosomes comprise glycerol monooleate lipid molecules self-assembled into a double diamond cubic phase, that form stable aqueous dispersions that are sterically stabilized using amphiphilic block copolymers. We use high speed imaging to monitor the spreading and retraction of aqueous drops impinged on model hydrophobic substrates and on superhydrophobic lotus leaves. We show that cubosomes diffuse to hydrophobic substrates and reorganize to form a thin, approximate to 2 nm adsorbed lipid layer during the millisecond time scales that characterize drop impact. This adsorbed film drastically reduces the water contact angle, transforming the hydrophobic surface to hydrophilic, thus facilitating retention of the aqueous drop on the surface. Aqueous drops of cubosomes impinged at low velocities on inclined natural superhydrophobic lotus leaf surfaces do not roll off, unlike drops of water or surfactant solutions. When sprayed on inclined lotus leaves, corresponding to the case of high velocity drop impingement, cubosome dispersions form a continuous wetting film. Our results have important implications for efficient, environment-friendly delivery of pesticide sprays.
}, issn = {1744-683X}, doi = {10.1039/c7sm01817g}, author = {Kumar, Manoj and Kulkarni, Mayuresh A. and Chembu, Narendiran G. and Banpurkar, Arun and Kumaraswamy, Guruswamy} } @article {44613, title = {Assessing the possibilities of designing a unified multistep continuous flow synthesis platform}, journal = {Beilstein Journal of Organic Chemistry}, volume = {14}, year = {2018}, month = {JUL}, pages = {1917-1936}, abstract = {
The multistep flow synthesis of complex molecules has gained momentum over the last few years. A wide range of reaction types and conditions have been integrated seamlessly on a single platform including in-line separation as well as monitoring. Beyond merely getting considered as {\textquoteleft}flow version{\textquoteright} of conventional {\textquoteleft}one-pot synthesis{\textquoteright}, multistep flow synthesis has become the next generation tool for creating libraries of new molecules. Here we give a more {\textquoteleft}engineering{\textquoteright} look at the possibility of developing a {\textquoteleft}unified multistep flow synthesis platform{\textquoteright}. A detailed analysis of various scenarios is presented considering 4 different classes of drugs already reported in the literature. The possible complexities that an automated and controlled platform needs to handle are also discussed in detail. Three different design approaches are proposed: (i) one molecule at a time, (ii) many molecules at a time and (iii) cybernetic approach. Each approach would lead to the effortless integration of different synthesis stages and also at different synthesis scales. While one may expect such a platform to operate like a {\textquoteleft}driverless car{\textquoteright} or a {\textquoteleft}robo chemist{\textquoteright} or a {\textquoteleft}transformer{\textquoteright}, in reality, such an envisaged system would be much more complex than these examples.
}, keywords = {automation, continuous flow synthesis, cybernetics, multistep flow synthesis, unified platforms}, issn = {1860-5397}, doi = {10.3762/bjoc.14.166}, author = {Sharma, Mrityunjay K. and Acharya, Roopashri B. and Shukla, Chinmay A. and Kulkarni, Amol A.} } @article {44426, title = {Au26: a case of fluxionality/co-existence}, journal = {Physical Chemistry Chemical Physics }, volume = {20}, year = {2018}, month = {APR}, pages = {8616-8623}, type = {Article}, abstract = {
The Au26 cluster is one of the widely studied gold clusters in the size range of n = 21{\textendash}30. It has been proposed in a more recent combined experimental and theoretical study that the neutral Au26 cluster is fluxional. The fluxionality of a cluster is relevant to its catalytic applications. In this context, to explore the extent of fluxionality, Born Oppenheimer Molecular Dynamical (BOMD) simulations are carried out on experimentally and theoretically proposed fluxional Au26 conformations (three compact or core{\textendash}shell structures and a high symmetry cage structure). The simulations reveal that the high energy golden tube outperforms the ground state structure (compact C2v conformation) as well as the other two low-symmetry compact conformations in terms of thermal stability. The enhancement in the thermal stability is explained on the basis of structural integrity imposed by the open skeleton of shortest bond distances within Au26-Tube. In addition to this, the homogeneous distribution of charges and the strong s{\textendash}d hybridization exhibited by FMOs are seen to play a pivotal role in increasing the stability of Au26-Tube. The present investigation also reveals that the characteristic fluxionality proposed to exist in the Au26 system is noted only above 400 K and it is missing at room temperature. The simulations also bring forth the question of how relevant a ground state conformation is at working temperatures.
}, issn = {1463-9076}, doi = {10.1039/C7CP07997D}, author = {Joshi, Krati and Krishnamurty, Sailaja} } @article {45377, title = { Balancing antimicrobial performance with hemocompatibility in amphiphilic homopolymers}, journal = {Journal of Polymer Science Part A- Polymer Chemistry}, volume = {56}, year = {2018}, month = {NOV}, pages = {2391-2396}, type = {Article}, abstract = {This work establishes amphiphilic polymethacrylates as new antimicrobial candidates that can be synthesized through a combination of controlled free radical polymerization and sequential postpolymerization modification protocols. When conjugated with a polyethylene glycol segment, the block copolymers exhibit a balanced performance between high antibacterial activity and high hemocompatibility.}, issn = { 0887-624X}, doi = { 10.1002/pola.29213}, author = {Zhu, Zhiyuan and Jeong, Gookyeong and Kim, Seung-Jin and Gadwal, Ikhlas and Choe, Youngson and Bang, Joona and Oh, Min-Kyu and Khan, Anzar and Rao, Jingyi} } @article {44427, title = {Base-promoted heterogeneous reusable copper fluorapatite (CuFAP) catalyzed facile synthesis of 1,2-diarylethanols via C(sp3)-H functionalization of nitrotoluene}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {JAN}, pages = {719-723}, abstract = {A novel, an efficient protocol has been developed for the facile synthesis of various 1,2-diarylethanol in good to excellent yields via C(sp3)-H functionalization of various nitrotoluenes with substituted aromatic, heterocyclic aldehydes/isatin. This is the first example in which base promoted heterogeneous, reusable copper fluorapatite (CuFAP) catalyzed C(sp3)-H functionalization of various nitrotoluenes was achieved under ligand-, additive- free reaction condition. The developed protocol is an environmentally benign approach, which replaces cumbersome protocols, avoids the use of costly precious metal catalysts, prefunctionalized substrates, and toxic reagents. The heterogeneous CuFAP catalyst was recovered by simple filtration and reused several times without the loss of its catalytic activity. The selective functional group transformation of 1,2-diaryethanol was accomplished.}, doi = {10.1002/slct.201702416}, author = {Shaikh, Taufeekaslam M. Y. and Mulla, Shafeek A. R.} } @article {44624, title = {B(C6F5)(3): catalyst or initiator? insights from computational studies into surrogate silicon chemistry}, journal = {ACS Catalysis}, volume = {8}, year = {2018}, month = {JUL}, pages = {6163-6176}, type = {Article}, abstract = {
One of the most promising recent developments in catalysis has been the use of the metal-free Lewis acid B(C6F5)(3) as a catalyst for a range of different chemical transformations. Perhaps the most impressive achievement in this regard is the recently accomplished in situ generation of SiH4 from surrogates (Simonneau and Oestreich, Nat. Chem., 2015,7, 816). However, what the current computational work, with density functional theory, reveals is that this process, in addition to being catalyzed by B(C6F5)(3), is also significantly dominated by a series of autocatalytic reactions. The results are further corroborated by the use of the energetic span model, which shows that the turnover frequency is higher for the newly proposed autocatalytic pathway in comparison to the conventional B(C6F5)(3)-catalyzed pathway. The current work therefore provides interesting new insights into surrogate silicon chemistry. But, more importantly, the current studies indicate that B(C6F5)(3) is likely to function more as an initiator rather than a pure catalyst in many metal-free transformations that have been reported to date.
}, keywords = {autocatalysis, Density functional theory, ion-pair, Lewis acid catalysis, reaction mechanism, surrogate silicone chemistry, tris(pentafluorophenyl)borane}, issn = {2155-5435}, doi = {10.1021/acscatal.7b04489}, author = {Banerjee, Subhrashis and Vanka, Kumar} } @article {44379, title = {Benzoin condensation: a kinetic monitoring at the oil-water interface}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAY}, pages = {4694-4698}, abstract = {The overall kinetics of condensation of benzaldehyde to benzoin has been discussed here with an aim to develop a better understanding of the change in reactivity of the interfacial reaction in the presence of co-solvents. A key aspect of the {\textquoteright}on water{\textquoteright} reaction is the chemistry between solvent and reactants that occur at the oil-water interface. In particular the orientation of water molecules at the interface plays a key role in catalyzing the reaction. An initial increase in the rate constants of reaction is observed, followed by sharp fall in the reaction kinetics. An interesting interplay of hydrophobicity, hydrogen bonding and polarity of the binary mixture is inevitable in the present study. The observations are nevertheless important reference point for future investigations of {\textquoteright}on water{\textquoteright} reactions.}, doi = {10.1002/slct.201703107}, author = {Singh, Anshu and Kumar, Anil} } @article {44355, title = {Bessel{\textquoteright}s polynomial fitting for electrospun polyacrylonitrile/polyaniline blend nanofibers based ammonia sensor}, journal = {Materials Letters}, volume = {221}, year = {2018}, month = {JUL}, pages = {70-73}, type = {Article}, abstract = {In the present paper, we report the fabrication of electrospun polyacrylonitrile/polyaniline (PAN/PANI) blend nanofibers by electrospinning and polymerization and Bessel{\textquoteright}s polynomial model applied for its ammonia sensing characteristics. As-fabricated PAN/PANI blend nanofibers were characterized by scanning electron microscopy and Fourier transform infrared spectroscopy for the confirmation of fibers with nanoscale and blends of PAN and PANI. The semiconducting behavior of the PAN/PANI blend nanofibers was found to respond quickly towards ammonia gas. Sensitivity of the blend was obtained at near room temperature for different concentrations of ammonia. Bessel{\textquoteright}s polynomial function was found to be well fitted with the experimental data for the response towards ammonia gas. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.matlet.2018.03.075}, author = {Anwane, Rajashree S. and Kondawar, Subhash B. and Late, Dattatray J.} } @article {44204, title = {Beyond hydrofunctionalisation: a well-defined calcium compound catalysed mild and efficient carbonyl cyanosilylation}, journal = {Chemistry-A European Journal}, volume = {24}, year = {2018}, month = {JAN}, pages = {1269-1273}, type = {Article}, abstract = {
Organocalcium compounds have been reported as efficient catalysts for various transformations, for cases in which one of the substrates contained an E-H (E=B, N, Si, P) bond. Here, we look at the possibility of employing an organocalcium compound for a transformation in which none of the precursors has a polar E-H bond. This study demonstrates the utilization of a well-defined amidinatocalcium iodide, [PhC(NiPr)(2)CaI] (1) for cyanosilylation of a variety of aldehydes and ketones with Me3SiCN under ambient conditions without the need of any co-catalyst. The reaction mechanism involves a weak adduct formation between 1 and Me3SiCN leading to the activation of the Si-C bond, which subsequently undergoes sigma-bond metathesis with a C=O moiety. Such a mechanistic pathway is unprecedented in alkaline earth metal chemistry. Experimental and computational studies support the mechanism.
}, keywords = {Ca catalysis, carbonyls, cyanosilylation, Density functional calculations, transition-metal free}, issn = {0947-6539}, doi = {10.1002/chem.201705795}, author = {Yadav, Sandeep and Dixit, Ruchi and Vanka, Kumar and Sen, Sakya S.} } @article {43958, title = {Bifunctional role of Pd/MMT-K 10 catalyst in direct transformation of furfural to 1,2-pentanediol}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {195-201}, type = {Article}, abstract = {
The acid functionality of montmorillonite clay K 10 (MMT-K 10) was found to play a key role to give 1,2-pentanediol (1,2-PeDO) in Pd catalysed furfural hydrogenation. Among various Pd loadings on MMT-K 10, 3\% Pd/MMT-K 10 catalyst exhibited excellent performance giving almost complete conversion of FFR and the highest selectivity of 66\% to 1,2-PeDO. Py-IR of the catalyst evidenced the presence of Br{\o}nsted acidity which was responsible in C5-O cleavage of furan ring after the formation of furfuryl alcohol which is the first step intermediate in FFR hydrogenation. At a lower temperature of 140 {\textdegree}C, highest selectivity of 56\% was achieved for FAL while increase in temperature to 220 {\textdegree}C, enhanced the selectivity to 1,2-PeDO. Keeping the temperature constant at 220 {\textdegree}C, with increase in H2 pressure from 500 to 750 psig, resulted in decrease in 1,2-PeDO selectivity from 66 to 34\% with proportionate increase in THFAL selectivity. Thus as per the requirement, the product selectivities can be tailored by varying the reaction parameters suitably. Several control experiments were also performed the results of which combined with the characterization data allowed to propose a plausible reaction pathway for the formation of 1,2-PeDO.
}, doi = {10.1016/j.cattod.2017.08.002}, author = {Date, Nandan S. and Chikate, Rajeev C. and Roh, Hyun-Seog and Rode, Chandrashekhar V.} } @article {44370, title = {Bimetallic Au-Ag/Al2O3 as efficient catalysts for the hydrocarbon selective reduction of NOx from lean burn engine exhaust}, journal = {Catalysis Today}, volume = {306}, year = {2018}, month = {MAY}, pages = {23-31}, type = {Article}, abstract = {Catalytic properties of Au-Ag/Al2O3 catalysts, prepared by successive impregnation, have been investigated for the hydrocarbon selective catalytic reduction (HC-SCR) of NOx. The performances of pre-reduced and aged catalysts were evaluated on synthetic reaction mixtures with gas compositions representative of the exhaust of Diesel powered engines. An optimal 2 wt.\% Ag loading was chosen and the order of introduction during sequential impregnation of Ag or Au on respectively pre-impregnated Au/Al2O3 and Ag/Al2O3 substrates was investigated revealing drastic changes on the catalytic properties after aging. XPS analysis shows a significant silver enrichment irrespective of the preparation route and aging conditions whereas ex situ UV-vis DRS analysis reveals significant electronic disturbances which reflect different interactions between Au and Ag in fresh and aged Au-Ag/Al2O3 and Ag-Au/Al2O3 catalysts. As a consequence, significant rate enhancements in NOx conversion were observed with the superior performance of Au-Ag/Al2O3 but a lower resistance to deactivation at high temperature explained by different behaviour towards redispersion/agglomeration processes highlighted from TEM observations. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cattod.2016.12.002}, author = {More, P. M. and Dongare, M. K. and Umbarkar, S. B. and Granger, P. and Dujardin, C.} } @article {45445, title = {Biomass-mediated synthesis of Cu-doped TiO2 nanoparticles for improved-performance lithium-ion batteries}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {OCT}, pages = {13676-13684}, type = {Article}, abstract = {
Pure TiO2 and Cu-doped TiO2 nanoparticles are synthesized by the biomediated green approach using the Bengal gram bean extract. The extract containing biomolecules acts as capping agent, which helps to control the size of nanoparticles and inhibit the agglomeration of particles. Copper is doped in TiO2 to enhance the electronic conductivity of TiO2 and its electrochemical performance. The Cu-doped TiO2 nanoparticle-based anode shows high specific capacitance, good cycling stability, and rate capability performance for its envisaged application in lithium-ion battery. Among pure TiO2, 3\% Cu-doped TiO2, and 7\% Cu-doped TiO2 anode, the latter shows the highest capacity of 250 mAh g(-1) (97.6\% capacity retention) after 100 cycles and more than 99\% of coulombic efficiency at 0.5 A g(-1) current density. The improved electrochemical performance in the 7\% Cu-doped TiO2 is attributed to the synergetic effect between copper and titania. The results reveal that Cu-doped TiO2 nanoparticles might be contributing to the enhanced electronic conductivity, providing an efficient pathway for fast electron transfer.
}, doi = {10.1021/acsomega.8b01903}, author = {Kashale, Anil A. and Dwivedi, Pravin K. and Sathe, Bhaskar R. and Shelke, Manjusha V. and Chang, Jia-Yaw and Ghule, Anil V.} } @article {45557, title = {BIOPYDB: a dynamic human cell specific biochemical pathway database with advanced computational analyses platform}, journal = {Journal of integrative bioinformatics}, volume = {15}, year = {2018}, month = {MAR }, type = {Article}, abstract = {BIOPYDB: BIOchemical PathwaY DataBase is developed as a manually curated, readily updatable, dynamic resource of human cell specific pathway information along with integrated computational platform to perform various pathway analyses. Presently, it comprises of 46 pathways, 3189 molecules, 5742 reactions and 6897 different types of diseases linked with pathway proteins, which are referred by 520 literatures and 17 other pathway databases. With its repertoire of biochemical pathway data, and computational tools for performing Topological, Logical and Dynamic analyses, BIOPYDB offers both the experimental and computational biologists to acquire a comprehensive understanding of signaling cascades in the cells. Automated pathway image reconstruction, cross referencing of pathway molecules and interactions with other databases and literature sources, complex search operations to extract information from other similar resources, integrated platform for pathway data sharing and computation, etc. are the novel and useful features included in this database to make it more acceptable and attractive to the users of pathway research communities. The RESTful API service is also made available to the advanced users and developers for accessing this database more conveniently through their own computer programmes.}, issn = {1613-4516}, doi = {10.1515/jib-2017-0072}, author = {Chowdhury, S. and Sinha, N. and Ganguli, P. and Bhowmick, R. and Singh, V. and Nandi, S. and Sarkar, R. R.} } @article {44382, title = {Bismuth(III)-catalyzed cycloisomerization and (hetero)arylation of alkynols: simple access to 2-(hetero)aryl tetrahydrofurans and tetrahydropyrans}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {MAY}, pages = {3229-3240}, abstract = {2-(Hetero)aryl tetrahydrofurans and tetrahydropyrans were successfully synthesized using Bi(OTf)(3)-catalyzed hydroalkoxylation (cycloisomerization) of alkynols (via 5 or 6 exo-dig cyclization) and intermolecular (hetero)arylation. This reaction involves a highly efficient cascade process, where initially the alkynol undergoes a cycloisomerization step via activation of the triple bond and generates the oxocarbenium ion, which subsequently participates in the (hetero)hydroarylation step with electron-rich arenes. Simple to complex suitably functionalized alkynols (4-pentyn-1-ols and 5-hexyn-1-ols) and electron-rich aromatic compounds were found to be reliable substrates in this cascade transformation and furnished a wide range of oxygen heterocycles. This practical tandem process provides a means to build libraries related to pharmacologically active molecules and natural product like scaffolds.}, doi = {10.1039/c8ob00368h}, author = {Nakate, Ashwini K. and Pratapure, Madhukar S. and Kontham, Ravindar} } @article {45468, title = { Bubble size prediction in gas-solid fluidized beds using genetic programming }, journal = {Current Science }, volume = {115}, year = {2018}, month = {NOV }, pages = {1904-1912}, type = {Article}, abstract = {The hydrodynamics of a gas-solid fluidized bed (FB) is affected by the bubble diameter, which in turn strongly influences the performance of a fluidized bed reactor (FBR). Thus, determining the bubble diameter accurately is of crucial importance in the design and operation of an FBR. Various equations are available for calculating the bubble diameter in an FBR. It has been found in this study that these models show a large variation while predicting the experimentally measured bubble diameters. Accordingly, the present study proposes a new equation for computing the bubble diameter in a fluidized bed. This equation has been developed using an efficient, yet infrequently employed computational intelligence (CI)-based data-driven modelling method termed genetic programming (GP). The prediction and generalization performance of the GP-based equation has been compared with that of a number of currently available equations for computing the bubble diameter in a fluidized bed and the results obtained show a good performance by the newly developed equation.}, issn = {0011-3891}, doi = {10.18520/cs/v115/i10/1904-1912}, author = {Sonolikar, R. R. and Patil, M. P. and Mankar, R. B. and Tambe, S. S. and Kulkarni, B. D.} } @article {44646, title = {Calixarene intercalated NiCo layered double hydroxide for enhanced oxygen evolution catalysis}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {6}, year = {2018}, month = {AUG}, pages = {9649-9660}, abstract = {
Water splitting provides a promising, sustainable way to resolve problems arising due to depleting fossil fuels. The success needs development of low-cost and high-performance electrode materials. The oxygen evolution reaction (OER) is a crucial reaction in water splitting. The combined Ni and Co oxide developed nanostructures having a small overpotential and fast kinetics of OER. They have drawn considerable attention, because of their theoretically high efficiency, high abundance, low cost, and environmental benignity in comparison with precious metal oxides, such as RuO2 and IrO2. However, the desired efficiency needs the developments of enhanced specific active area and conductivity. In the present communication, we address these issues. Specifically, exfoliation of layer double hydroxide (LDH) is applied to enhance the active surface area. The study reveals that intercalation by calixarene in NiCo LDH affords a multifunctional interlayer to deliver a large active surface area and fast electron transport toward the carbon nano-onion (CNO) support. It favorably lowers the overpotentials in OER (290 mV) and attains Tafel slope of 31 mV/decade. Enhanced conductivity is achieved using CNO as a support for the calixarene intercalated NiCo LDH. These developments offer a synergistic effect in achieving superior electrocatalytic activity for OER. This work gives insight into designing binder-free electrodes in alkaline media with good stability for advanced OER activity.
}, keywords = {Calixarene, electrocatalyst, Exfoliation, NiCo LDH, Oxygen Evolution Reaction}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.7b04788}, author = {Waghmode, Babasaheb J. and Gaikwad, Aarti P. and Rode, V, Chandrashekhar and Sathaye, Shivaram D. and Patil, Kashinath R. and Malkhede, Dipalee D.} } @article {44235, title = {Carbon fabric based solar steam generation for waste water treatment}, journal = {Solar Energy}, volume = {159}, year = {2018}, month = {JAN}, pages = {800-810}, type = {Article}, abstract = {
Decontamination of waste water is one of the most practical techniques to tackle the worldwide clean water shortage. In recent times, solar steam based decontamination of contaminated water has been attested as a potential sustainable strategy to get clean water using renewable resources. Herein, we report the utilization of Carbon fabric and Titanium Nanorods on Carbon Fabric for solar steam based water purification techniques. The performance of Carbon Fabric was tested under different conditions and the results proved that Carbon Fabric has excellent light to heat conversion capabilities in both real and ideal conditions. Owing to the excellent performance of Carbon Fabric, it was used for purification of different types of contaminated water. About 99.9\% of salt and 87\% of organic contaminants were removed from saline water and organic waste water respectively, using a simple low cost carbon fabric based homemade prototype. We also present the application of Titanium Nanorods on carbon fabric for the efficient removal of dye molecules like Rhodamine B from contaminated water using solar driven interfacial steam generation mechanism.
}, keywords = {Desalination, Dye degradation, Solar steam, Waste water treatment}, issn = {0038-092X}, doi = {10.1016/j.solener.2017.11.055}, author = {Higgins, M. W. and Rahmaan, Shakeel A. R. and Devarapalli, Rami Reddy and Shelke, Manjusha V. and Jha, Neetu} } @article {44428, title = {Cascade dehydrative amination of glycerol to oxazoline}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {JUL}, pages = {2954-2965}, abstract = {Transformation of biomass into valuable nitrogen-containing compounds is highly desired, yet less explored. Here, we report a simple and efficient method for the direct conversion of bioglycerol to oxazoline involving glycerol dehydration to acetol followed by its amination using an aqueous solution of ammonia. For the two-step strategy a non-noble metal Cu-Zr catalyst was developed, giving a glycerol to acetol conversion of 78\% followed by amination separately with 95\% selectivity to oxazoline. Moreover, we have demonstrated a single-pot oxazoline synthesis using Ru/C as the most stable catalyst to achieve 95\% selectivity to oxazoline without any leaching. XPS studies revealed the co-existence of multivalent Ru species in different percentages depending on the nature and structure of the support. These multivalent species (RuO2 and RuO3) have a synergistic effect on the activation of the carbonyl group, whereas Ru-0 is an active site for ammonia dissociation. NH3-TPD and Py-IR spectroscopy results also suggest that the presence of relatively moderate acid sites and a higher BrOnsted/Lewis acid ratio in the catalyst promote the selective production of oxazoline. The reaction pathway involves first glycerol dehydration to acetol. In the subsequent step, NH3 is dissociatively adsorbed on the catalyst surface and the imine thus formed is condensed with a second molecule of acetol to obtain oxazoline. The studied catalyst could be recycled successfully without any significant loss of catalytic activity.}, doi = {10.1039/c8cy00185e}, author = {Pandya, R. and Mane, R. and Rode, C. V.} } @article {44638, title = {Cascade synthesis of 5-(Acetoxymethyl) furfural from carbohydrates over Sn-mont catalyst}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {AUG}, pages = {8770-8778}, abstract = {
The 5-(Acetoxymethyl)furfural (AcMF) is emerged as an important alternative for 5-(hydroxymethyl)furfural (HMF). It is also a starting material for those products which are typically prepared from HMF. The growing importance of AcMF encouraged us to prepare it directly from cheap and abundant carbohydrates. The production AcMF from glucose and glucose-like carbohydrates is an exigent assignment, owing to tough isomerisation of glucose to fructose. The Sn-Mont catalyst having a unique combination of Lewis as well as Bronsted acid sites was employed for direct glucose conversion into AcMF. Lewis acid sites of Sn-Mont facilitate the isomerisation of glucose to fructose. At the same time, dehydrative-esterification of fructose to AcMF is catalyzed by Bronsted acid sites of Sn-Mont. Different concentrations of Sn containing Sn-Mont catalysts were by prepared mixing montmorillonite clay with different molar concentration (e.g. 0.1 M-0.4 M) of aqueous solutions of SnCl4 center dot 5H(2)O. AcMF was produced in as high as 43\% yield directly from glucose over Sn-Mont(0.3 M) catalyst owing to its highest acid strength. The efficacy of Sn-Mont(0.3 M) catalyst was also probed for sucrose and fructose that resulted in 53\% and 58\% yield of AcMF, respectively. The critical properties of all the prepared Sn-Mont catalysts were investigated through XRD, BET surface area, ICP-OES, temperature-programmed desorption of NH3 and pyridine-FTIR and XPS techniques.
}, keywords = {5-(Acetoxymethyl)furfural, Bronsted/Lewis acid, carbohydrates, Dehydrative-esterification, Sn-Mont}, issn = {2365-6549}, doi = {10.1002/slct.201802040}, author = {Shinde, Suhas and Deval, Kashmira and Chikate, Rajeev and Rode, Chandrashekhar} } @article {43957, title = {Cascade synthesis of dihydrobenzofuran via claisen rearrangement of allyl aryl ethers using FeCl 3 /MCM-41 catalyst}, journal = {Journal of Saudi Chemical Society}, volume = {22}, year = {2018}, month = {MAY}, pages = {396-404}, type = {Article}, abstract = {
Dihydrobenzofuran as one of the active ingredients of the naturally occurring motif is synthesized by using in situ generation of ortho allyl phenols. Aryl allyl ethers on reacting with catalytic amounts of non noble metal iron (III) chloride supported on MCM-41 under moderate reaction conditions yield dihydrobenzofuran. First step via Claisen rearrangement gives ortho allyl phenol followed by its in situ cyclization to yield dihydrobenzofuran in very good yields. Both Lewis as well as Br{\o}nsted acidity of the catalyst as evidenced by Py-FTIR studies was found to catalyze the cascade synthesis of dihydrobenzofuran. The scope of the present strategy was successfully demonstrated for several substrates with varying electronic effects for the synthesis of corresponding dihydrobenzofuran with high yields in a range of 71-86\%.
}, keywords = {Aryl allyl ether, Claisen rearrangement, Dihydrobenzofuran, Ferric chloride, MCM-41}, issn = {1319-6103}, doi = {10.1016/j.jscs.2017.08.006}, author = {Sakate, Sachin S. and Shinde, Suhas H. and Kasar, Gayatri B. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {44198, title = {Catalyst-free oxidation of sulfides to sulfoxides and diethylamine catalyzed oxidation of sulfides to sulfones using Oxone as an oxidant (vol 43, pg 6875, 2017)}, journal = {Research on Chemical Intermediates}, volume = {44}, year = {2018}, month = {FEB}, pages = {1437}, type = {Article}, issn = {0922-6168}, doi = {10.1007/s11164-017-3137-7}, author = {Kupwade, R. V. and Khot, S. S. and Lad, U. P. and Desai, U. V. and Wadgaonkar, P. P.} } @article {45603, title = {Catalytic and efficient synthesis of optically active terminal epoxides and 1,2-diols using a new lanthanum triflate assisted C1-symmetric bimetallic chiral salen cobalt complex}, journal = {Letters in Organic Chemistry}, volume = {15 }, year = {2018}, pages = {960 - 966}, type = {Article}, abstract = {The catalytic asymmetric synthesis of terminal epoxides and 1,2-diols via a hydrolytic kinetic resolution of racemic terminal epoxides using a new bimetallic chiral salen CoIII complex incorporated with La(OTf)3 as a catalyst is reported. The new bimetallic chiral salen CoIII complex bearing La(OTf)3 was prepared in a one-pot procedure by activation and bimetallic complex formation from the inactive Jacobsen chiral salen CoII complex (salen = N, N'-bis(3,5-di-tert-butylsalicylidene)-1,2- cyclohexane-diamine). We observed that C1-symmetric chiral bimetallic Co-complex coordinated with La(OTf)3 works as a chiral catalyst and remarkably increased the reactivity and enantioselectivity in the hydrolytic kinetic resolution of terminal epoxides compared to its monometallic analogues. La(OTf)3 plays a crucial role as an achiral Lewis acid in this process, which is supported by the experimental observation presented. To explore the absolute configuration of glycidyl butyrate a vibrational circular dichroism (VCD) spectra was calculated using density functional theory.}, doi = {10.2174/1570178615666171212144938}, author = {Patel, D. and Thakur, S. S. and Shinde, S. S. and Kumar, P.} } @article {44374, title = {Catalytic enantioselective 1,3-alkyl shift in alkyl aryl ethers: efficient synthesis of optically active 3,3 {\textquoteright}-diaryloxindoles}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {MAY}, pages = {5735-5739}, abstract = {Reported is the first organocatalytic asymmetric 1,3-alkyl shift in alkyl aryl ethers for the synthesis of chiral 3,3{\textquoteright}-diaryloxindoles using a chiral Bronsted acid catalyst. Preliminary results showed that each enantiomer of the 3,3{\textquoteright}-diaryloxindole, and a racemic mixture, showed different antiproliferative activities against HeLa cell lines by using an MTT assay.}, doi = {10.1002/anie.201801650}, author = {Gade, Amol B. and Bagle, Pradip N. and Shinde, Popat S. and Bhardwaj, Vipin and Banerjee, Subhrashis and Chande, Ajit and Patil, Nitin T.} } @conference {44599, title = {CCCTK (Compute Cure for Cancer ToolKit) an open source drug discovery platform for design of novel anti-cancer agents}, booktitle = {255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water}, year = {2018}, month = {MAR}, publisher = {ACS, 1155 16TH ST, NW, Washington, DC 20036 USA}, organization = {ACS, 1155 16TH ST, NW, Washington, DC 20036 USA}, address = {New Orleans, LA}, author = {Karthikeyan, Muthukumarasamy and Vyas, Renu} } @conference {45434, title = {CCCTK: High performance molecular informatics toolkit for the design of anti-cancer molecule}, booktitle = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, year = {2018}, month = {AUG}, publisher = {American-Chemical-Society (ACS)}, organization = {American-Chemical-Society (ACS)}, address = { Boston, MA}, author = {Karthikeyan, Muthukumarasamy} } @article {45545, title = {Changing landscapes of industry-academia collaboration}, journal = {Indian Drugs}, volume = {55}, year = {2018}, month = {JUL}, pages = {5-6}, type = {Article}, issn = {0019462X}, author = {Nair, G.G.} } @article {45397, title = {Characterization of mineral phosphate solubilizing and plant growth promoting bacteria from termite soil of arid region}, journal = {3 Biotech}, volume = {8}, year = {2018}, month = {OCT}, type = {Article}, abstract = {Five highly efficient phosphate solubilizing bacteria, viz., Pantoea sp. A3, Pantoea sp. A34, Kosakonia sp. A37, Kosakonia sp. B7 and Bacillus sp. AH9 were isolated from termitorial soils of Sanjivani island of southern Maharashtra, India. These isolates were characterized and explored for phosphate solubilization and plant growth promotion. Among these, Bacillus sp. AH9 showed highest phosphate solubilization index (3.5) and solubilization efficiency (250\%) on Pikovskaya agar. Interestingly, Pantoea sp. A34 displayed maximum mineral phosphate solubilization (1072.35mg/L) in liquid medium and during this period the pH dropped to 3.13. All five isolates had highest P solubilization at 48h after inoculation. During mineral phosphate solubilization, both gluconic acid and 2-keto gluconic acid were produced by Kosakonia and Bacillus isolates, while only 2-keto gluconic acid was detected in Pantoea isolates. Highest organic acid (39.07 +/- 0.04g/L) production was envisaged in Bacillus sp. AH9, while Pantoea sp. A34 produced the least amount (13.00 +/- 0.01g/L) of organic acid. Seed bacterization with Pantoea sp. A3 and Kosakonia sp. A37 resulted in 37\% and 53\% increase in root length of tomato seedlings, respectively, while Pantoea sp. A34 and Kosakonia sp. B7 had deleterious effects on root length as well as overall growth of the seedlings. To our knowledge, this is the first report of plant growth promoting potential of microorganisms isolated from termitorial soil of Sanjivani island, which is a drought-prone area. Therefore, such efficient growth promoting P solubilizers can offer an effective solution for sustainable agriculture in arid, dryland farming and drought-prone regions.}, issn = { 2190-572X}, doi = { 10.1007/s13205-018-1488-4}, author = {Chakdar, Hillol and Dastager, Syed G. and Khire, Jayant M. and Rane, Digeshwar and Dharne, Mahesh S.} } @article {44429, title = {Chemical oxidative and solid state synthesis of low molecular weight polymers for organic field effect transistors}, journal = {Chemical Physics Letters}, volume = {696}, year = {2018}, month = {MAR}, pages = {48-54}, abstract = {Solution processability of the precursor molecules is a major issue owing to their limited solubility for the synthesis of conjugated polymers. Therefore, we favour the solvent free solid state chemical oxidative polymerization route for the synthesis of diketopyrrolopyrrole (DPP) based donor-acceptor (D-A) type conjugated polymers. D-A type polymer Poly(S-OD-EDOT) which contains DPP coupled with EDOT donor units is synthesized via solid state polymerization method. The polymer is employed as an active layer for organic field-effect transistors to measure charge transport properties. The Polymer shows good hole mobility 3.1 x 10(-2) cm(2) V-1 s(-1), with a on/off ratio of 1.1 x 10(3). (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.cplett.2018.02.021}, author = {Mahale, Rajashree Y. and Dharmapurikar, Satej S. and Chini, Mrinmoy Kumar} } @article {44430, title = {Chemo-biological evaluation of antidiabetic activity of M entha arvensis L. and it{\textquoteright}s role in inhibition of advanced glycation end products}, journal = {Journal of Ayurveda and integrative medicine}, year = {2018}, month = {FEB}, abstract = {
Background: There has been enormous curiosity in the development of alternative plant based medicines to control diabetes, oxidative stress and related disorders. One of the therapeutic approaches is to reduce postprandial release of glucose in the blood. Two key enzymes that are involved in reducing postprandial glucose are α-amylase and α-glucosidase. Mentha arvensis L. has been traditionally used by several tribes as a medicinal plant to treat various disorders. Objective: The present study was undertaken to test M. arvenisis L. for inhibition of postprandial hyperglycemia. Material and method: We performed various in vitro and in vivo tests to evaluate efficacy of M. arvenisis L. for antidiabetic activity (postprandial hyperglycemia). Results: Methanolic extract of M. arvensis L. leaves showed DPPH free radical scavenging activity (more than 78\% μg/μl) and high antiglycation potential (more than 90\% inhibition of AGE formation). Methanolic extract also showed remarkable inhibitory effects on α-amylase (more than 50\% μg/μl) and α-glucosidase (68\% μg/μl) and significant inhibition of postprandial hyperglycemia in starch induced diabetic Wistar rats. Conclusion: The non-insulin dependent antidiabetic or inhibition of postprandial hyperglycemic activity of methanolic extract of M. arvensis L. leaves was shown by using in vitro and in vivo approaches in the present study.
}, doi = {10.1016/j.jaim.2017.07.003}, author = {Agawane, Sachin B. and Gupta, Vidya S. and Kulkarni, Mahesh J. and Bhattacharya, Asish K. and Koratkar, Santosh} } @article {44431, title = {Chiral amino-acid-amide based ionic liquids as a stereoselective organocatalyst in asymmetric transfer hydrogenation of acetophenone at room-temperature}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {MAR}, pages = {2623-2625}, abstract = {Chiral Ionic Liquids (CILs) of amino acid amide were synthesized and used as novel organo catalyst for Asymmetric Transfer Hydrogenation (ATH) of acetophenone at room temperature. The developed CILs show very high yield and excellent enantio-selectivity in transfer hydrogenation of acetophenone.}, doi = {10.1002/slct.201800240}, author = {Javle, Balasaheb R. and Kinage, Anil K.} } @article {45415, title = {Chitosan-based bionanocomposites for biomedical application}, journal = { Bioinspired Biomimetic and Nanobiomaterials}, volume = {7}, year = {2018}, month = {DEC }, pages = {219-227}, type = {Article}, abstract = {Natural polymers have greatly impacted the advancement of modern medicine. Natural polymer-based biomaterials are biodegradable. A significant advantage of natural polymers is that they can be broken down and removed from the body after they have served their function. A wide range of novel biomaterials from natural polymers has been investigated to meet new challenges in medical science. Chitosan is one of the natural polymers which have been widely used in the biomedical field. Nanotechnology is one of the most popular areas of current research. In the area of nanotechnology, polymer and metal/metal oxide nanoparticle matrix-based nanocomposites have generated a significant amount of attention in the recent literature. These bionanocomposites have wide-ranging applications in drug delivery and tissue engineering. This paper discusses polymer-metal/metal oxide nanoparticle matrix-based nanocomposite biomaterials and their applications in the biomedical field - that is, drug delivery and tissue engineering applications.}, issn = {2045-9858}, doi = {10.1680/jbibn.15.00015}, author = {Kumari, Sangeeta and Singh, Raj Pal and Chavan, Nayaku N. and Annamalai, Pratheep K.} } @article {45444, title = { Chitosan-thiobarbituric acid: a superadsorbent for mercury}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {OCT}, pages = { 13183-13194}, type = {Article}, abstract = {In the present investigation, chitosan (CH) as supramolecularly cross-linked with thiobarbituric acid to form CT. CT was well characterized by UV, scanning electron microscopy-energy-dispersive X-ray analysis, Fourier trans form infrared, NMR, differential scanning calorimetry, thermogravimetric analysis, and X-ray difTraction analyses, and its adsorption potential for elemental mercury (Hg-0), inorganic mercury (Hg2+), and methyl mercury (CH3Hg+) was investigated. Adsorption experiments were conducted to optimize the parameters for removal of the mercury species under study, and the data were analyzed using Langmuir, Freundlich, an Temkin adsorption isotherm models. CT was found to have high adsorption capacities of 1357.69, 2504.86, and 2475.38 rng/g for Hg-0, Hg2+, and CH3Hg+, respectively. The adsorbent CT could be reused up elemental mercury using 0.01 N thiourea, inorganic mercury using 0.01 N perchloric acid, and methyl to three cycles by eluting mercury with 0.2 N NaCl.}, doi = {10.1021/acsomega.8b01837}, author = {Bhatt, Rahul and Kushwaha, Shilpi and Bojja, Sreedhar and Padmaja, P.} } @article {44651, title = {Cloning and characterization of trehalase: a conserved glycosidase from oriental midge, Chironomus ramosus}, journal = {3 Biotech}, volume = {8}, year = {2018}, month = {AUG}, pages = {352}, abstract = {
Insect trehalase is a multiferous enzyme, crucial for normal physiological functions as well as under stress conditions. In this report, we present a fundamental study of the trehalase gene segment (1587 bp) from Chironomus ramosus (CrTre) encoding for 529 amino acids, using appropriate bioinformatics tools. C. ramosus, a tropical midge is an emerging animal model to investigate the consequences of environmental stresses. We observed that CrTre belongs to GH family 37 in the CAZy database and possess 57-92\% identity to dipteran trehalases. In silico characterization provided information regarding the structural, functional and evolutionary aspects of midge trehalase. In the phylogenetic tree, CrTre clustered with the soluble dipteran trehalases. Moreover, domain functional characterization of the deduced protein sequence by InterProScan (IPR001661), ProSite (PS00927 and PS00928) and Pfam (PF01204) indicated presence of highly conserved signature motifs which are important for the identification of trehalase superfamily. Furthermore, the instability index of CrTre was predicted to be \< 40 suggesting its in vivo stability while, the high aliphatic index indicated towards its thermal stability (index value 71-81). The modelled 3D tertiary structure of CrTre depicts a (alpha/alpha)(6) barrel toroidal core. The catalytic domain of the enzyme comprised Glu424 and Asp226 as the putative active site residues. Interestingly, the conserved motifs were observed to be formed by the flexible loopy regions in the tertiary structure. This study revealed essential sequence features of the midge trehalase and offers better insights into the structural aspects of this enzyme which can be correlated with its function.
}, keywords = {Conserved motifs, Homology modelling, Midges, Secondary structure, trehalose}, issn = {2190-572X}, doi = {10.1007/s13205-018-1376-y}, author = {Shukla, Ekta and Thorat, Leena and Bendre, Ameya D. and Jadhav, Santosh and Pal, Jayanta K. and Nath, Bimalendu B. and Gaikwad, Sushama M.} } @article {44347, title = {Close loop separation process for the recovery of Co, Cu, Mn, Fe and Li from spent lithium-ion batteries}, journal = {Separation and Purification Technology}, volume = {200}, year = {2018}, month = {JUL}, pages = {327-334}, type = {Article}, abstract = {Lithium-ion batteries (LIBs) are essential energy source used in advanced electronic gadgets for getting constant and continuous power supply. Huge amount of spent LIBs are generated after their end use. LIBs contain metals, organics and plastics which require proper treatment before disposal. Keeping in view of stringent environmental regulations, limited natural resources and energy crisis, adopting recycling will not only protect the environment and pacify the gap between demand and supply but also conserve the natural resources. Present paper reports a complete process for the recycling of LIBs to recover metals and materials as value added products fulfilling zero waste concept. Initially, the spent LIBs were crushed and beneficiated by wet scrubbing process to separate cathodic material, plastic and metallic fractions. The cathodic material contained 20\% Co and 2.4\% Li along with other impurities (Mn, Fe, Cu). The cathodic material obtained from different LIBs were homogenized and put to leaching studies to optimize various process parameters viz. effect of leachant concentration, temperature, time, etc. About 97\% Co and 99.99\% Li were leached using 2 M H2SO4 and 10\% H2O2 at room temperature, in 2 h maintaining pulp density 75 g/L. Kinetics for leaching of Co fitted well with Chemical reaction control dense constant size cylindrical particles model, i.e. 1 - (1 - X)(1/2) = Kct. The leach liquor obtained was further processed to recover Mn and Fe using (NH4)(2)S2O8 as a precipitant whereas 99.99\% Cu was extracted using LIX 84 IC at eq. pH 2, O/A ratio 1/1 and mixing time 5 min. Further, from the leach liquor depleted with Mn, Fe and Cu, similar to 98\% Co was extracted using 20\% Cyanex 272 at pH 4.8 in 10 min maintaining phase ratio (O/A) 1/1 in two stages, leaving Li in the raffinate. From the pure Co solution, value added products as metal and salt were produced using electrowinning/evaporation/precipitation techniques. The TCLP test of leached residue shows the presence of metals within permissible limit and the effluent generated was treated in an effluent treatment plant (ETP) with standard procedure and recycled to the system. The developed clean process is economical as well as environment friendly and has potential to be translated in industry after scale-up studies.}, doi = {10.1016/j.seppur.2018.02.022}, author = {Dutta, Deblina and Kumari, Archana and Panda, Rekha and Jha, Soni and Gupta, Divika and Goel, Sudha and Jha, Manis Kumar} } @article {44626, title = {Co9Se8 nanoparticles as high capacity anode material for lithium-ion batteries}, journal = {Materials Research Express}, volume = {5}, year = {2018}, month = {JUL}, pages = {075510}, abstract = {
Present investigation deal with the facile synthesis of Co9Se8 nanoparticles (NPs) and their application as the potential anode for lithium-ion battery (LIB). The primary size of the Co9Se8 NPs can be achieved between 10 similar to 25 nm while the secondary cluster size ranging from 150 similar to 200 nm as observed by transmission electron microscope (TEM). The specific capacity of Co9Se8 NPs LIB anode can reach around similar to 610 mAhg(-1) during charging (lithium ion released from Co9Se8 nanoparticles), and -730 mAhg(-1) during discharging (lithium ion intercalated) at an applied current density of similar to 100 mAg(-1). These values are significantly higher than that of the commercial graphite anode (theoretical capacity similar to 372 mAhg(-1)). The irreversibility of Co9Se8 anode (similar to 15\%) is also significantly lower than that of most metal oxides and silicon-based anodes (irreversibility ranging between 30 similar to 50\% or higher for Si). The reason for superior specific capacity and low irreversibility compared to metal oxides and silicon-based materials could be owing to the stable nano-cluster size which help to reduce the diffusion path and internal resistance to lithium ion.
}, keywords = {irreversibility, lithium-ion battery, lithium-ion diffusion, Nanoparticles, specific capacity}, issn = {2053-1591}, doi = {10.1088/2053-1591/aad16d}, author = {Kumar, Pushpendra and Hu, Lung-Hao} } @article {44227, title = {Cobalt-catalyzed acceptorless dehydrogenative coupling of aminoalcohols with alcohols: direct access to pyrrole, pyridine and pyrazine derivatives}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JAN}, pages = {90-93}, type = {Article}, abstract = {
Here, the first example is reported of a new, molecularly defined SNS-cobalt(II) catalyst for the acceptorless dehydrogenative coupling (ADC) of unprotected amino alcohols with secondary alcohols leading to pyrrole and pyridine derivatives.
}, issn = {1359-7345}, doi = {10.1039/c7cc07427a}, author = {Midya, Siba P. and Landge, Vinod G. and Sahoo, Manoj K. and Rana, Jagannath and Balaraman, Ekambaram} } @article {45597, title = {Cobalt-doped Ba2In2O5 brownmillerites: an efficient electrocatalyst for oxygen reduction in alkaline medium}, journal = {ACS omega }, volume = {3}, year = {2018}, month = {FEB }, pages = {1710{\textendash}1717}, type = {Article}, abstract = {A series of compounds with cobalt doping in the indium site of Ba2In2O5 brownmillerites exhibited excellent oxygen reduction activity under alkaline conditions. Doping (25\%) retains the brownmillerite structure with disorder in the O3 site in the two-dimensional alternate layer along the ab plane. Further substitution of cobalt in the indium site leads to the loss of a brownmillerite structure, and the compound attains a perovskite structure. Cobalt-doped samples exhibited far better oxygen reduction reaction (ORR) activity when compared to the parent Ba2In2O5 brownmillerite. Among the series of compounds, BaIn0.25Co0.75O3-δ with the highest Co doping and oxygen vacancies randomly distributed in the lattice exhibited the best ORR activity. BaIn0.25Co0.75O3-δ showed a 40 mV positive shift in the onset potential with better limiting current density and a nearly four-electron-transfer reduction pathway when compared to the parent Ba2In2O5 brownmillerite.}, issn = {2470-1343}, doi = { 10.1021/acsomega.7b01655}, author = {Jijil, C. P. and Patil, I. M. and Kakade, B. and Nandini Devi, R.} } @article {44432, title = {Co-gasification of high ash coal{\textendash}biomass blends in a fluidized bed gasifier: experimental study and computational intelligence-based modeling}, journal = {Waste and Biomass Valorization}, volume = {11}, year = {2018}, month = {JUN}, pages = {1-19}, type = {Article}, abstract = {Co-gasification (COG) is a clean-coal technology that uses a binary blend of coal and biomass for generating the product gas; it is environment-friendly since it emits lesser quantities of pollutants compared to the coal gasification process. Although coals found in many countries contain high percentages of ash, co-gasification studies involving such coals, and the process modeling thereof, are rare. Accordingly, this study presents results of the co-gasification experiments conducted in a fluidized-bed gasifier (FBG) pilot plant using as a feed the blends of high ash Indian coals with three biomasses, namely, rice husk, press mud, and sawdust. Since the underlying physicochemical phenomena are complex and nonlinear, modeling of the COG process has been performed using three computational intelligence (CI)-based methods namely, genetic programming, artificial neural networks, and support vector regression. Each of these formalisms was employed separately to develop models predicting four COG performance variables, namely, total gas yield, carbon conversion efficiency, heating value of product gas, and cold gas efficiency. All the CI-based models exhibit an excellent prediction accuracy and generalization performance. The co-gasification experiments and their modeling presented here for a pilot-plant FBG can be gainfully utilized in the efficient design and operation of the corresponding commercial scale co-gasifiers utilizing high ash coals.}, keywords = {Artificial neural networks, Co-gasification, Computational intelligence, Fluidized bed gasifier, genetic programming, support vector regression}, issn = {1877-2641}, doi = {10.1007/s12649-018-0378-7}, author = {Tiwary, Shishir and Ghugare, Suhas B. and Chavan, Prakash D. and Saha, Sujan and Datta, Sudipta and Sahu, Gajanan and Tambe, Sanjeev S.} } @article {44435, title = { Colloidal Mn2+ doped 2D (n =1) lead bromide perovskites: efficient energy transfer and role of anion in doping mechanism}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUN}, pages = {6585-6595}, abstract = {
Mn{\texttwosuperior}$^{+}$ doping directly into APbCl3 type 3D nanocrystals, manifesting host to dopant energy transfer, have been heavily reported for illumination and display applications. However, these doped 3D ABX3 systems have low/modest exciton binding energy. Strongly bound excitons in the doped system can enhance the dopant-host carrier exchange interactions leading to efficient energy transfer. Reported here is a simple and facile synthesis of colloidal Mn{\texttwosuperior}$^{+}$ doped (Butylammonium/octylammonium)2PbBr4 2D (n=1) perovskites that demonstrate enhanced energy transfer from strongly bound excitons of the host material to the Mn{\texttwosuperior}$^{+}$ dopant ions resulting in intense orange-yellow emission due to spin forbidden internal transition ($^{4}$T1 {\textrightarrow} $^{6}$A1) with the highest quantum yield (Mn{\texttwosuperior}$^{+}$) of 36\%. Consistent with experimental evidences presented here, mechanism of this thermally aided doping process in these 2D systems, very likely, involves halide vacancy and its diffusion that precedes the cation exchange (doping) process. Owing to the high quantum yield, stability in ambient atmosphere, simplicity and scalability of the synthetic procedure, Mn{\texttwosuperior}$^{+}$ doped 2D perovskites could be beneficial as color converting phosphor material and can be utilized to further explore their magneto-optoelectronic properties.
}, doi = {10.1002/slct.201801248}, author = {Haris, Muhammed and Bakthavatsalam, Rangarajan and Kundu, Janardan} } @article {44436, title = {Composite thin film of simultaneously formed carbon and SnO2 QDs for supercapacitance application}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {MAR}, pages = { 8823-8830}, type = {Article}, abstract = {Composite material with uniform size and structure is a critical asset that decides its properties like charge transfer, thermal, photoluminescence, mechanical, etc. and consequently the applications. Here for the first time, we report the concept of flame/combustion at liquid-liquid interface to synthesize in situ, thin film formation of composite consisting of two or more quantum dots. Synthesis of thin films of a composite containing C and SnO2 QDs having particle sizes below 3 nm was successfully done. As compared to a single quantum dots system, the formed composite showed significantly improved specific capacitance due to the synergistic effect arising from strong interaction between C and SnO2 QDs. This was confirmed by XPS, UV visible spectroscopy and photoluminescence spectra. Moreover, it was confirmed that even after 1000 charge/discharge cycles, the interaction between C and Sn remained unaltered; indicating significant stability of capacitance. Some of the advantages of this method include one step, eco-friendly process at ambient conditions. The generality of the method was established by synthesizing C-ZnO and C-TiO2 composite thin film. This new approach can be extended to form many other valuable composite thin films for various applications.}, issn = {1144-0546}, doi = {10.1039/C8NJ00375K}, author = {Jadhav, Aarti and Patil, Sagar and Patil, Kashinath Rangu and Sathaye, Shivaram Dattatray and Rode, Chandrashekhar Vasant} } @article {44437, title = {Comprehensive metabolic and transcriptomic profiling of various tissues provide insights for saponin biosynthesis in the medicinally important Asparagus racemosus}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {JUN}, pages = {Article Number: 9098}, abstract = {Asparagus racemosus (Shatavari), belongs to the family Asparagaceae and is known as a "curer of hundred diseases" since ancient time. This plant has been exploited as a food supplement to enhance immune system and regarded as a highly valued medicinal plant in Ayurvedic medicine system for the treatment of various ailments such as gastric ulcers, dyspepsia, cardiovascular diseases, neurodegenerative diseases, cancer, as a galactogogue and against several other diseases. In depth metabolic fingerprinting of various parts of the plant led to the identification of 13 monoterpenoids exclusively present in roots. LC-MS profiling led to the identification of a significant number of steroidal saponins (33). However, we have also identified 16 triterpene saponins for the first time in A. racemosus. In order to understand the molecular basis of biosynthesis of major components, transcriptome sequencing from three different tissues (root, leaf and fruit) was carried out. Functional annotation of A. racemosus transcriptome resulted in the identification of 153 transcripts involved in steroidal saponin biosynthesis, 45 transcripts in triterpene saponin biosynthesis, 44 transcripts in monoterpenoid biosynthesis and 79 transcripts in flavonoid biosynthesis. These findings will pave the way for better understanding of the molecular basis of steroidal saponin, triterpene saponin, monoterpenoids and flavonoid biosynthesis in A. racemosus.}, doi = {10.1038/s41598-018-27440-y}, author = {Srivastava, Prabhakar Lal and Shukla, Anurag and Kalunke, Raviraj M.} } @article {44222, title = {Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C-3 symmetric molecule}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JAN}, pages = {212-215}, type = {Article}, abstract = {
We report a novel set of easily tailorable C-3 symmetric molecules with a pi-extended core and adorned with different thioalkyl groups, exhibiting solvatofluorochromic and amphoteric redox behaviour. The nearly planar core exhibits intermolecular face-to-face pi-stacking, S...S and intramolecular S...O interactions. Current-sensing atomic force microscopy studies revealed a high conductivity of similar to 0.15 mS cm(-1) in the undoped J-aggregate nanofibres of the thiopropyl appended gelator.
}, issn = {1359-7345}, doi = {10.1039/c7cc08741a}, author = {Shivakumar, K.I. and Goudappagouda. and Gonnade, Rajesh G. and Babu, Sukumaran Santhosh and Sanjayan, Gangadhar J.} } @article {44438, title = {Conformational studies of Ant-Pro motif-incorporated cyclic peptides: gramicidin S and avellanin}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN}, pages = {1197-1201}, abstract = {This paper reports conformational changes observed in cyclic bioactive peptides such as gramicidin S and avellanin upon incorporation of a pseudo-beta (C9) Ant-(D)Pro turn motif in their structural frameworks. Solution-state studies suggested that a synthetic gramicidin S analog exhibits a beta-sheet conformation with C9 and C17 intramolecular hydrogen bonding patterns, while its truncated analog disturbs the beta-sheet conformation. Structural details were obtained using a combination of CD studies, X-ray crystal structure studies and nOe-based MD simulation studies.}, doi = {10.1039/c7nj03701e}, author = {Kotmale, Amol S. and Sangtani, Ekta and Gonnade, Rajesh G. and Sarkar, Dhiman and Burade, Sachin and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article {44630, title = {Continuous flow synthesis of micron size silica nanoparticles: parametric study and effect of dosing strategy}, journal = {Journal of Flow Chemistry}, volume = {8}, year = {2018}, month = {JUN}, pages = {59-67}, abstract = {
This work for the first time reports continuous flow synthesis of silica nano-particles of size over 1 mu m using a simple tubular reactor. The systematic approach involves the study of effect of various parameters like: ammonia concentration, water concentration, electrolyte concentraton, temperature, solvent, residence time and mode of TEOS injection over a wide range. A combination of ethanol and butanol was used as the medium with relatively lower polarity. Various process parameters were optimized to obtain highly monodispersed particles of size up to 600 nm and high yield (up to 90\%). Attempts of reducing the reaction time by increasing temperature or concentrations of any of the reagents resulted in significant polydispersity and even in the formation of random shape agglomerates. At the optimized conditions almost complete conversion of TEOS happenned within 40 min and further growth of particles was achieved by adding TEOS using multipoint injection approach. While multipoint dosing resulted in the formation of very small number of secondary particles, the larger particles continued to grow beyond 800 nm. Further reduction in the polarity of reaction medium was achieved by adding 20\% v/v of toluene, which without changing homogeneity of the solution resulted in particles as large as 0.9-1.1 mu m.
}, keywords = {Flow synthesis, Multipoint injection, silica, TEOS, Tubular reactor}, issn = {2062-249X}, doi = {10.1007/s41981-018-0008-3}, author = {Jundale, Rajashri and Bari, Atul and Thara, Chinnu and Kulkarni, Amol} } @conference {45435, title = {Controlled release nanocomposite microcapsules for agricultural applications}, booktitle = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, year = {2018}, month = {AUG}, publisher = {American-Chemical-Society (ACS) }, organization = {American-Chemical-Society (ACS) }, address = {Boston, MA}, author = {Shanmuganathan, Kadhiravan and Shukla, Parshuram and Jagtap, Siddheshwar and Patil, Vishal and Sapre, Aditya} } @article {45462, title = {Controlled surface/interface structure and spin enabled superior properties and biocompatibility of cobalt ferrite nanoparticles}, journal = {Allied Surface Science }, volume = {459}, year = {2018}, month = {NOV}, pages = {788-801}, type = {Article }, abstract = {High quality, crystalline, well-dispersed, and stable magnetic oxide nanoparticles (NPs) of inverse spinel cobalt ferrite (CoFe2O4; CFO) were prepared by a facile, reproducible, and simple hydrothermal route. The transmission electron microscopy, small-angle scattering and X-ray diffraction analyses demonstrate the structural quality of CFO NPs with a controlled size of similar to 12 nm. Small-angle scattering experiments demonstrate that the pristine CFO NPs have the individual size similar to 8.5 nm and spherical shape. The Raman and infrared spectroscopic measurements further confirm their high chemical quality and cubic symmetry. CFO NPs exhibit a remarkable, maximum coercivity (H-c) value of 18.92 kOe, which is the highest value achieved to date. Surface spins and spins canting along with a weak dipolar interaction accounts for the giant H-c and large effective anisotropy (11.45 x 10(6) erg/cm(3)) of these CFO NPs. The magnetic grain size of NPs reveals that the canted surface spins exist around the magnetic particles. Reorientation of surface spins and interparticle interaction causes the jumping behaviour in M-H hysteresis loops at H = 0. The cell viability of CFO NPs against the cancer (cisplatin resistant ovarian cancer - A2780/CP70) was evaluated to determine their potential application in biomedicine and health science. The mild response of CFO NPs in terms of their anti-proliferative nature against cancer cells and negligible cytotoxicity suggests their human-safe-and-friendly nature which makes them suitable for biomedical/health-related applications. Assessment of toxicity toward human red blood cells (RBC) revealed that hemolysis is less than 5\% compared to the positive control confirming the potential applications of CFO NPs targeting human cells and making relevant for adopting them in biomedicine.}, issn = {0169-4332}, doi = { 10.1016/j.apsusc.2018.08.063}, author = {Ansari, Sumayya M. and Sinha, Bhavesh B. and Pai, Kalpana R. and Bhat, Suresh K. and Ma, Yuan-Ron and Sen, Debasis and Kolekar, Yesh D. and Ramana, C., V.} } @article {45541, title = {Convenient synthesis of the enantiomerically pure (S)-2,4-dihydroxybutyl-4-hydroxybenzoate using hydrolytic kinetic resolution}, journal = {Synthetic Communications}, volume = {48}, year = {2018}, month = {JUL}, pages = { 2093-2098}, type = {Article }, abstract = {(S)-2,4-Dihydroxybutyl-4-hydroxybenzoate was prepared in an extremely simple and practical way with high enantiomeric excess (99\% ee) using Jacobsen{\textquoteright}s Hydrolytic Kinetic Resolution technique as a key step and source of chirality. }, doi = {10.1080/00397911.2018.1484486}, author = {More, N. A. and Jadhao, N. L. and Garud, D. R. and Gajbhiye, J. M.} } @article {45421, title = {Convergent covalent organic framework thin sheets as flexible supercapacitor electrodes}, journal = {ACS Applied Material \& Interfaces}, volume = {10}, year = {2018}, month = {AUG}, pages = {28139-28146}, type = {Article}, abstract = {Flexible supercapacitors in modern electronic equipment require light-weight electrodes, which have a high surface area, precisely integrated redox moieties, and mechanically strong flexible free-standing nature. However, the incorporation of the aforementioned properties into a single electrode remains a great task. Herein, we could overcome these challenges by a facile and scalable synthesis of the convergent covalent organic framework (COF) free-standing flexible thin sheets through solid-state molecular baking strategy. Here, redox-active anthraquinone (Dq) and pi-electron-rich anthracene (Da) are judiciously selected as two different linkers in a beta-ketoenamine-linked two-dimensional (2D) COF. As a result of precisely integrated anthraquinone moieties, COF thin sheet exhibits redox activity. Meanwhile, pi-electron-rich anthracene linker assists to improve the mechanical property of the free-standing thin sheet through the enhancement of noncovalent interaction between crystallites. This binder-free strategy offers the togetherness of crystallinity and flexibility in 2D COF thin sheets. Also, the synthesized porous crystalline convergent COF thin sheets are benefited with crack-free uniform surface and light-weight nature. Further, to demonstrate the practical utility of the material as an electrode in energy-storage systems, we fabricated a solid-state symmetrical flexible COF supercapacitor device using a GRAFOIL peeled carbon tape as the current collector.}, doi = {10.1021/acsami.8b10486}, author = {Khayum, Abdul M. and Vijayakumar, Vidyanand and Karak, Suvendu and Kandambeth, Sharath and Bhadra, Mohitosh and Suresh, Karthika and Acharambath, Nikhil and Kurungot, Sreekumar and Banerjee, Rahul} } @article {44627, title = {Copper- and phosphine-free nickel(II)-catalyzed method for C-H bond alkynylation of benzothiazoles and related azoles}, journal = {Asian Journal of Organic Chemistry}, volume = {7}, year = {2018}, month = {JUL}, pages = {1390-1395}, abstract = {
A phosphine-free nickel(II)-catalyzed method for the C(2)-H bond alkynylation of (benzo)thiazoles, (benz)imidazoles, and oxazoles is described. Well-defined and air-stable (Phen)NiCl2 catalyst efficiently catalyzes the coupling of diverse azoles with alkynyl bromides without the use of a copper co-catalyst, and the method tolerates synthetically important functional groups. Preliminary mechanistic studies on this Ni-II-catalyzed alkynylation emphasize the homogeneous nature of the catalyst, and rule out a radical manifold for the reaction. The synthetic utility of this Ni-catalyzed method is demonstrated by further functionalizing the alkynylated benzothiazoles to 3-methyl-2-(alkynyl)benzo[d]thiazolium salts that are known DNA cleaving agents.
}, keywords = {alkynylation, azoles, C-H activation, heterocycles, Nickel}, issn = {2193-5807}, doi = {10.1002/ajoc.201800243}, author = {Patel, Ulhas N. and Punji, Benudhar} } @article {44440, title = {Correlation of intermolecular acyl transfer reactivity with noncovalent lattice interactions in molecular crystals: toward prediction of reactivity of organic molecules in the solid state}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {APR}, pages = {3952-3959}, abstract = {Intermolecular acyl transfer reactivity in several molecular Acyl transfer reactivity can be predicted in solution based crystals was studied, and the outcome of the reactivity was analyzed in the light of structural information obtained from the crystals of the reactants. in solid state Minor changes in the molecular structure resulted in significant variations in the noncovalent interactions and packing of molecules in the crystal lattice, which drastically affected the facility of the intermolecular acyl transfer reactivity in these crystals. Analysis of the reactivity vs crystal structure data revealed dependence of the reactivity on electrophile ... nucleophile interactions and C-H center dot center dot center dot pi interactions between the reacting molecules. The presence of these noncovalent interactions augmented the acyl transfer reactivity, while their absence hindered the reactivity of the molecules in the crystal. The validity of these correlations allows the prediction of intermolecular acyl transfer reactivity in crystals and co-crystals of unknown reactivity. This crystal structure-reactivity correlation parallels the molecular structure-reactivity correlation in solution-state reactions, widely accepted as organic functional group transformations, and sets the stage for the development of a similar approach for reactions in the solid state.}, doi = {10.1021/acs.joc.8b00293}, author = {Krishnaswamy, Shobhana and Shashidhar, Mysore S.} } @article {44640, title = {Correlation trends in the magnetic hyperfine structure of atoms: a relativistic coupled-cluster case study}, journal = {Physical Review A}, volume = {98}, year = {2018}, month = {AUG}, type = {Article}, abstract = {
The role of electron correlation in the hyperfine structure of alkali metals and alkaline earth metal monopositive ions in their ground electronic configuration is investigated using the Z-vector method in a relativistic coupled-cluster regime within the singles and doubles approximation. The systematic effects of core-correlating functions, polarization of core electrons, and high-lying virtual functions on core electrons correlation are studied. The study reveals that the core-correlating function plays a significant role in core polarization and thus is very important for precise calculation of the wave function near the nuclear region. The inner-core electrons (1s-2p) require very high virtual energy functions for proper correlation. Therefore, the all-electron correlation treatment and the inclusion of higher-energy virtual functions are the key factors for precise calculation of the hyperfine structure constant of atoms. Our calculated values are in excellent agreement with the available experimental values, which also implies that the wave function produced by the Z-vector method is accurate enough for further calculation of the parity- and time-reversal symmetry-violating properties in atoms and molecules.
}, issn = {2469-9926}, doi = {10.1103/PhysRevA.98.022507}, author = {Talukdar, Kaushik and Sasmal, Sudip and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {45555, title = {Covalent organic frameworks: chemistry beyond the structure}, journal = {Journal of the American Chemical Society}, volume = {141 }, year = {2018}, month = {NOV}, pages = {1807{\textendash}1822}, type = {Article}, abstract = {Covalent organic frameworks (COFs) represent a new field of rapidly growing chemical research that takes direct inspiration from diverse covalent bonds existing between atoms. The success of linking atoms in two and three dimensions to construct extended framework structures moved the chemistry of COFs beyond the structures to methodologies, highlighting the possibility of prospective applications. Although structure to property relation in COFs has led to fascinating properties, chemical stability, processability and scalability were some of the important challenges that needed to be overcome for their successful implementation. In this Perspective, we take a closer look at the growth of COFs from mere supramolecular structures to potential industrializable materials.}, doi = {10.1021/jacs.8b10334}, author = {Kandambeth, S. and Dey, K. and Banerjee, R.} } @book {45564, title = {CRC handbook of terpenoids: triterpenoids volume I: acyclic, monocyclic, bicyclic, tricyclic, and tetracyclic terpenoids}, volume = {1}, year = {2018}, pages = {1-573}, publisher = {CRC Press, Inc.}, organization = {CRC Press, Inc.}, abstract = {This Handbook, pinpoints salient features of known information about Terpenoids in a readily accessible and readable format. Terpenoids have singularly enriched organic chemistry by its variety of structural types, by its wealth of{\textquotedblleft}unexpected{\textquotedblright} reactions, rearrangements and spectral features, and by offering exciting targets for synthesis. Much imaginative experimental work has been invested in exploring their natural pathways. Recent years have revealed an increasingly important biological and ecological role for several of its members.}, issn = {978-135108122}, doi = {10.1201/9781351072779}, url = {https://www.scopus.com/inward/record.url?eid=2-s2.0-85052450204\&partnerID=40\&md5=efc31fc3efbbbb557e420b525e90748a}, author = {Dev, S. and Nagasampagi, B.A.} } @book {45562, title = {CRC handbook of terpenoids: triterpenoids: Volume ii: pentacyclic and hexacyclic triterpenoids}, volume = {2}, year = {2018}, pages = {1-624}, publisher = {CRC Press}, organization = {CRC Press}, abstract = {
A compilation of all the known information on terpenoids specifically triterpenoids, is presented in these volumes. The most important available information on a particular compound is discussed, such as its isolation/occurence, available spectral data, and leading references on structural determination. Additionally, triterpenoids synthesis, biosynthesis, proven pharmacological properties, and any known applications are explained. A comprehensive general introduction has been included which surveys the development of triterpenoid chemistry from the beginning to the present. Extremely helpful is the selected list of references to books and reviews dealing with various aspects of triterpenoid chemistry
}, doi = {10.1201/9781351072762}, author = {Dev, S. and Gupta, A.S.} } @article {44443, title = {Cross-metathesis of biorenewable dioxalates and diols to film-forming degradable polyoxalates}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {56}, year = {2018}, month = {JUL}, pages = {1584-1592}, abstract = {Starting from commonly available sugar derivatives, a single step protocol to access a small family of isohexide-dioxalates (2a-c) has been established. The synthetic competence of 2a-c has been demonstrated by subjecting them to condensation polymerization. Quite surprisingly, the proton NMR of poly(isomannide-co-hexane)oxalate revealed a 1:2 ratio between isomannide-dioxalate (2a) and 1,6-hexanediol (3a) in the polymer backbone. This intriguing reactivity was found to be an outcome of a cross metathesis reaction between 2a and 3a. The cross metathesis products 3a[2-(2-methoxyacetoxy)ethyl 2-(2-hydroxyethoxy)-2-(3-oxydanylidene)acetate] and 2a(3R,6R)-6-hydroxyhexahydrofuro[3,2-b]-furan-3-yl methyl oxalate were isolated in a control experiment. Based on direct and indirect evidence, and control experiments, an alternative polymerization mechanism is proposed. Polymerization conditions were optimized to obtain polyoxalates P1(2a-3a)-P9(2c-3c) with molecular weights in the range of 14,000-68,000 g/mol, and narrow polydispersities. The identity of the polyoxalates was unambiguously established using 1-2D NMR spectroscopy, MALDI-ToF-MS, and GPC measurements. The practical implication of these polymers is demonstrated by preparing transparent, mechanically robust films. The environmental footprint of the selected polyoxalates was investigated by subjecting them to solution and solid-state degradation. The polyoxalates were found to be amenable to degradation. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 1584-1592}, doi = {10.1002/pola.29043}, author = {Rajput, Bhausaheb S. and Ram, Farsa and Menon, Shamal K. and Shanmuganathan, Kadhiravan and Chikkali, Samir H.} } @article {45430, title = {CSGID solves structures and identifies phenotypes for five enzymes in toxoplasma gondii}, journal = {Frontiers in Cellular and Infection Microbiology}, volume = {8}, year = {2018}, month = {OCT}, type = {Article}, abstract = {
Toxoplasma gondii, an Apicomplexan parasite, causes significant morbidity and mortality, including severe disease in immunocompromised hosts and devastating congenital disease, with no effective treatment for the bradyzoite stage. To address this, we used the Tropical Disease Research database, crystallography, molecular modeling, and antisense to identify and characterize a range of potential therapeutic targets for toxoplasmosis. Phosphoglycerate mutase II (PGMII), nucleoside diphosphate kinase (NDK), ribulose phosphate 3-epimerase (RPE), ribose-5-phosphate isomerase (RPI), and ornithine aminotransferase (OAT) were structurally characterized. Crystallography revealed insights into the overall structure, protein oligomeric states and molecular details of active sites important for ligand recognition. Literature and molecular modeling suggested potential inhibitors and druggability. The targets were further studied with vivoPMO to interrupt enzyme synthesis, identifying the targets as potentially important to parasitic replication and, therefore, of therapeutic interest. Targeted vivoPMO resulted in statistically significant perturbation of parasite replication without concomitant host cell toxicity, consistent with a previous CRISPR/Cas9 screen showing PGM, RPE, and RPI contribute to parasite fitness. PGM, RPE, and RPI have the greatest promise for affecting replication in tachyzoites. These targets are shared between other medically important parasites and may have wider therapeutic potential.
}, issn = { 2235-2988}, doi = {10.3389/fcimb.2018.00352}, author = {Lykins, Joseph D. and Filippova, Ekaterina V and Halavaty, Andrei S. and Minasov, George and Zhou, Ying and Dubrovska, Ievgeniia and Flores, Kristin J. and Shuvalova, Ludmilla A. and Ruan, Jiapeng and El Bissati, Kamal and Dovgin, Sarah and Roberts, Craig W. and Woods, Stuart and Moulton, Jon D. and Moulton, Hong and Mcphillie, Martin J. and Muench, Stephen P. and Fishwick, Colin W. G. and Sabini, Elisabetta and Shanmugam, Dhanasekaran and Roos, David S. and Mcleod, Rima and Anderson, Wayne F. and Ngo, Huan M.} } @article {45470, title = {CuOx-TiO2 composites: electronically integrated nanocomposites for solar hydrogen generation}, journal = {ChemistrySelect }, volume = {3}, year = {2018}, month = {NOV}, pages = {12022-12030}, type = {Article }, abstract = {
CuOx-TiO2 (CT) composites were prepared by different methods (impregnation, microwave and photodeposition methods) and evaluated for solar water splitting (SWS) with aqueous methanol. CT composites prepared by three different methods were characterized by relevant methods to understand the correlation between synthesis method and activity, and the mechanism of water splitting. A comparison of photocatalytic activity of CT composite materials indicates that the photocatalyst prepared by photodeposition method shows significantly improved activity for hydrogen production from aqueous methanol as well as with water (overall water splitting) under one sun conditions. Cu is present in Cu/Cu+1 form in photodeposition method prepared CT, which is more effective and helpful for solar light absorption as well as charge carrier separation due to the formation of bulk p-n (Cu2O-TiO2) heterojunctions. However, CuO formation seems to decrease the activity with other preparation methods.
}, issn = { 2365-6549}, doi = { 10.1002/slct.201802047}, author = {Bharad, Pradnya A. and Nikam, Arun, V. and Thomas, Femi and Gopinath, Chinnakonda S.} } @article {44444, title = {Curcumin: pharmaceutical solids as a platform to improve solubility and bioavailability}, journal = {Crystengcomm}, volume = {20}, year = {2018}, month = {JUN}, pages = {3277-3296}, abstract = {Curcumin (CUR) is the prime curcuminoid in the Indian dietary spice turmeric, Curcuma longa, a plant of the Zingiberaceae family. CUR has promising and diverse therapeutic benefits, such as antioxidant, anti-inflammatory, antitumor, anti-hyperglycemic, antimalarial, antibacterial, and antiviral activity, including anti-Alzheimer{\textquoteright}s disease. However, CUR is yet to reach the status of a therapeutic drug candidate mainly because a standard solid dosage of curcumin suffers from poor oral bioavailability (0.05 g mL(-1), less than 1\%). The reasons behind its low bioavailability include poor solubility (<8 g mL(-1) in water), low permeability and absorption, and rapid metabolism (short elimination half-life of <2 h). A successful CUR therapy requires an appropriate formulation system that will enhance the bioavailability and offer greater therapeutic efficacy. This review covers a comprehensive description of the CUR pharmaceutical solids, such as polymorphs, cocrystals, eutectics, and coamorphous solid-state forms with aim to determine ways to improve its physicochemical properties, including dissolution rate, solubility, physicochemical stability, mechanical strength, compressibility for tablet formation, and oral bioavailability. The cumulative publications in the past decade have forecast a bright future for development of an oral drug formulation of curcumin.}, doi = {10.1039/c8ce00469b}, author = {Suresh, Kuthuru and Nangia, Ashwini} } @article {44445, title = {Curcumin-artemisinin coamorphous solid: Xenograft model preclinical study}, journal = {Pharmaceutics}, volume = {10}, year = {2018}, month = {MAR}, pages = {Article Number: 7}, abstract = {Curcumin is a natural compound present in Indian spice turmeric. It has diverse pharmacological action but low oral solubility and bioavailability continue to limit its use as a drug. With the aim of improving the bioavailability of Curcumin (CUR), we evaluated Curcumin-Pyrogallol (CUR-PYR) cocrystal and Curcumin-Artemisinin (CUR-ART) coamorphous solid. Both of these solid forms exhibited superior dissolution and pharmacokinetic behavior compared to pure CUR, which is practically insoluble in water. CUR-ART coamorphous solid showed two fold higher bioavailability than CUR-PYR cocrystal (at 200 mg/kg oral dose). Moreover, in simulated gastric and intestinal fluids (SGF and SIF), CUR-ART is stable up to 3 and 12 h, respectively. In addition, CUR-PYR and CUR-ART showed no adverse effects in toxicology studies (10 times higher dose at 2000 mg/kg). CUR-ART showed higher therapeutic effect and inhibited approximately 62\% of tumor growth at 100 mg/kg oral dosage of CUR in xenograft models, which is equal to the positive control drug, doxorubicin (2 mg/kg) by i.v. administration.}, doi = {10.3390/pharmaceutics10010007}, author = {Mannava, M. K. Chaitanya and Suresh, Kuthuru and Bommaka, Manish Kumar and Konga, Durga Bhavani and Nangia, Ashwini} } @article {44596, title = {Cyclohexylation of resorcinol with cyclohexanol catalyzed by tungstophosphoric acid supported zirconia catalysts}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {18}, year = {2018}, month = {APR}, pages = {2986-2992}, abstract = {
We demonstrate a highly active and reusable heterogeneous catalyst system, tungstophosphoric acid (TPA) supported on zirconia (ZrO2), for the cyclohexylation of resorcinol by cyclohexanol to produce value added chemicals such as 2-cyclohexyl resorcinol, 4-cyclohexyl resorcinol and 3-Hydroxy cyclohexyl phenyl ether under liquid phase reaction condition. TPA/ZrO2 catalysts prepared with different TPA loadings (5-30 wt.\%) by wet impregnation method and calcined in the temperature range of 650-850 degrees C were characterized by Nitrogen sorption analysis, XRD, FTIR, DTG and DTA, and P-31 MAS NMR spectroscopy. Among the catalysts studied, 15 wt.\% TPA/ZrO2 catalyst calcined at 750 degrees C gave the highest conversion of resorcinol (51.2\%) with the selectivities for 3-Hydroxy cyclohexyl phenyl ether (53.9\%) and 2-cyclohexyl resorcinol and 4-cyclohexyl resorcinol together (46.1\%) under optimum reaction conditions. However, the selectivity of the products were controlled by varying the reaction conditions. At higher conversion of resorcinol (78.9\%), only C-alkylated products were formed at 200 degrees C with 15 wt.\% TPA/ZrO2 catalyst calcined at 750 degrees C. The combination of TPA and ZrO2 coupled with calcination temperature offered an excellent platform for the conversion of resorcinol into O- or C-alkylated products.
}, keywords = {15\% TPA/ZrO2, Cyclohexanol, Cyclohexylation, Keggin TPA, Resorcinol}, issn = {1533-4880}, doi = {10.1166/jnn.2018.14342}, author = {Balasubramanian, V. V. and Devassay, B. M. and Halligudi, S. B. and Deepika, R. and Umbarakar, S. B. and Vinu, A.} } @article {45465, title = { Cyclometallation of a germylene ligand by concerted metalation-deprotonation of a methyl group }, journal = {Dalton Transactions }, volume = {47}, year = {2018}, month = { NOV}, pages = { 15835-15844}, type = {Article }, abstract = {The reaction of [CH{(CMe)(2,6-iPr(2)C(6)H(3)N)}(2)]GeCl with LiN(SiMe3)(2) was previously reported, which led to the formation of a hetero-fulvene type germylene, [CH{(CMe)(C?CH2)(2,6-iPr(2)C(6)H(3)N)}(2)]Ge through the deprotonation of the C-H bond from the methyl substituents. In this paper, we attempted the analogous reaction with (Dipp)NCMeCHCOMeGeCl using LiN(SiMe3)(2) which gave rise to a metathesis product, (Dipp)NCMeCHCOMeGeN(SiMe3)(2) (2). However, the reactions of 2 with [M2Cl2(-Cl)(2)((5)-Cp*)(2)] (M = Rh and Ir) resulted in cyclometallated Rh and Ir complexes through the activation of the C-H bond from the germylene ligand. The complexes were characterized by single crystal X-ray analysis, which authenticated the presence of Ge-Rh and Ge-Ir bonds. DFT studies have been performed to understand the mechanism.}, issn = {1477-9226}, doi = { 10.1039/c8dt03166e}, author = {Bakthavachalam, K. and Dutta, Sayan and Arivazhagan, C. and Raghavendra, Beesam and Haridas, Anagha and Sen, Sakya S. and Koley, Debasis and Ghosh, Sundargopal} } @article {45502, title = {De novo transcriptome analysis of the egg parasitoid Trichogramma chilonis Ishii (Hymenoptera: Trichogrammatidae): a biological control agent}, journal = {Gene Reports}, volume = {13}, year = {2018}, month = {DEC}, pages = {115-129}, type = {Article}, abstract = {Trichogramma chilonis Ishii is an endoparasitic wasp widely used as a biological control agent of economically important pests. However, absence of genetic information on T. chilonis hampers further research, especially at the molecular level. Here, we performed the first RNA-Seq of the adult T. chilonis. A total of 18,372,639 high-quality reads were generated using Illumina pair-ended sequencing platform. De novo assembly resulted into 24,488 transcripts, with mean length and N50 values of 1444.2 bp and 2667 bp, respectively. Of the transcripts, 14,643 exhibited putative homology with class Insecta proteins from UniPROT database. To understand the contig functions, gene descriptions, gene ontology and cluster of orthologous group annotations were analyzed. Following functional annotation, a number of transcripts encoding detoxification, target receptor action and olfaction- related proteins were identified and analyzed. In addition, 4520 transcripts containing simple sequence repeats, ranging from dinucleotide to hexanucleotide repeats were discovered, with trinucleotide being the most enriched repeats. This new sequence resource will shed light on various molecular mechanisms in T. chilonis and related species.}, issn = {24520144}, doi = {10.1016/j.genrep.2018.08.009}, author = {Kerima, O.Z. and Niranjana, P. and Vinay Kumar, B.S. and Ramachandrappa, R. and Puttappa, S. and Lalitha, Y. and Jalali, S.K. and Ballal, C.R. and H. V. Thulasiram} } @article {44446, title = {Deep learning based data driven soft sensor for bioprocesses}, journal = {Biochemical Engineering Journal}, volume = {136}, year = {2018}, month = {AUG}, pages = {28-39}, type = {Article}, abstract = {
Developing accurate and robust sensors for nonlinear and highly varying systems is a challenge. Deep learning, an advanced technique to learn deep architectures, has become a popular training strategy while dealing with complex problems. In this paper, deep learning has been introduced to develop data driven soft sensors for estimating crucial parameters in two fermentation processes, namely, Streptokinase and Penicillin. Additionally, the performance of the developed soft sensor is compared to an SVR based soft sensor. The results clearly indicate that deep learning is an attractive alternative to traditional techniques for soft sensor modelling as it represents nonlinear systems better, makes full advantage of process data by also incorporating unlabelled data and handles large datasets efficiently. Deep learning proves to be a promising technique for soft sensor modelling in highly data driven complex bioprocesses.
}, doi = {10.1016/j.bej.2018.04.015}, author = {Gopakumar, Vineet and Tiwari, Sarthak and Rahman, Imran} } @article {44448, title = {Dephytinizing and probiotic potentials of saccharomyces cerevisiae (NCIM 3662) strain for amelioration of nutritional quality of functional foods}, journal = {Probiotics and Antimicrobial Proteins}, volume = {11}, year = {2018}, month = {MAR}, pages = {604-617}, type = {Article}, abstract = {Increase of undigested complexes of phytic acid in food is gaining serious attention to overcome nutritional challenges due to chelation effects. We investigated soil-borne yeast phytase from Saccharomyces cerevisiae (NCIM 3662) for dephytinization of foods, probiotic properties, and process development. The strain produced 45 IU/DCG by cell-bound phytase in an unoptimized medium was increased fourfold (164 IU/DCG) in 12 h using statistical media optimization. The process was scaled-up up to 10-L fermenter scale with increased phytase productivity of 6.4 IU/DCG/h as compared to the lab scale. The strain displayed probiotic characteristics like tolerance to artificial gastric acid conditions, hydrophobicity, autoaggregation, coaggregation, and bile salt hydrolase (BSH) activity. Further, it could dephytinize (removal of phytic acid; an anti-nutritional factor) functional foods like ragi (finger millet) flour, soya flour, chickpea flour, and poultry animal feed. A combination of cell-bound dephytinizing phytase and nutrition-ameliorating probiotic traits of S. cerevisiae (NCIM 3662) presents profound applications in food technology sector.}, doi = {10.1007/s12602-018-9394-y}, author = {Kumar Raja Puppala and Kumar , V. Ravi and Khire, Jayant and Dharne, Mahesh} } @article {44211, title = {Deposition of Au nanoparticles inside porous CeO2 nanocubes using Langmuir-Blodgett technique}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN }, pages = {1379-1386}, type = {Article}, abstract = {
Porous 3D CeO2 nanocubes were synthesized using hot injection technique. These nanocubes were able to form a stable monolayer over water and HAuCl4 subphase in Langmuir-Blodgett (LB) trough due to the presence of surface capped oleic acid and oleylamine. CeO2-Au nanocomposites were synthesized exploiting the ability of oleylamine to reduce AuCl4 ions to Au-0, via LB method. CeO2 nanocubes gave rise to excellent long-range assembly at air/water interface and gold nanoparticles were formed inside these porous nanocubes without disturbing this arrangement. The formation of a stable monolayer was evidenced from the surface pressure-area (P-A) isotherm. The development of Au nanoparticles was confirmed with great effort from a comprehensive study using UV-Vis spectroscopy, XRD, XPS, FTIR, TEM, STEM, EDX, tomography and chemical mapping.
}, issn = {1144-0546}, doi = {10.1039/c7nj03948d}, author = {Das, Subhasis and Bhattacharjee, Gourab and Satpati, Biswarup and Kumar, Mukesh and Deka, Sasanka and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {44449, title = {Design and development of a test rig to investigate the load deflection characteristics of helical spring lock washers}, journal = {International Journal of Structural Integrity}, volume = {9}, year = {2018}, month = {MAR}, abstract = {Purpose The helical spring lock washer is a part of nut-bolt joint assembly used in different industries like automobile, aerospace, mechanical, chemical, electrical, electronics, etc. It works as a part of temporary joint and plays important role in loosening behavior of assembly under dynamic (vibrations) conditions. Thus, it is necessary to investigate the performance of helical spring lock washer under different controlled operating conditions in order to satisfy its functional requirement. Design/methodology/approach In the present investigation, a novel test rig is designed and developed to determine the load deflection characteristics of helical spring lock washers. The test rig facilitates the controlled linear displacement of the Helical Spring Lock (HSL) washer with predetermined angular rotation of the handle gives the corresponding reaction load on the display. Additionally, the repeatability and reproducibility of the test rig was carried out. Findings The newly designed and developed test rig is enough capable to differentiate the load deflection characteristics during compressive loading and unloading of helical spring lock washers. Additionally, the loss of strain energy can be determined from the load deflection characteristics of helical spring lock washer. Originality/value The present test rig is designed and developed to investigate the load deflection characteristics under compressive loading and unloading of Helical spring lock washer. The test rig has least count of 0.4905N for load measurement and 0.01389 mm for linear displacement.}, doi = {10.1108/IJSI-11-2017-0062}, author = {Wagh, Hemant and Desale, Girish R.} } @article {44451, title = {Design and synthesis of 2-amino-thiophene-tethered ureidopenicillin analogs with potentantibacterial and antitubercular activity}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAR}, pages = {3122-3126}, abstract = {Ureidopenicillins are a class of penicillins which are antibiotics active against gram-negative bacteria. Herein, we report the synthesis of 2-aminothiophene-tethered ureidopenicillin analogues and their in vitro antibacterial and antitubercular activity. Intriguingly, unlike the reported ureidopenicillins which are active against gram-negative bacteria, the synthesised 2-aminothiophene-tethered ureidopenicillins were significantly active against Gram-positive bacterial strains and showed moderate inhibition towards gram-negative bacterial strains. Among all the analogs, compound 1b containing 2-aminothiophene moiety with minimum inhibitory concentration (MIC): 0.29, 0.32, > 10, > 10 mg/ml for Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Pseudomonas aeruginosa, respectively, showed better anti-bacterial profile as compared to cephalexin and equipotent to ampicillin and amoxicillin on gram-positive bacterial strains. All the derivatives were also screened for anti-TB activity against mycobacterium tuberculosis H37Ra. Among the series, cycloocta-thiophene-tethered cephalexin analog 3c displayed excellent antitubercular activity with MIC values 0.78 mg/ml. Low cytotoxicity and high selectivity index indicate the efficacy of 3c against mycobacterial infections. The results from present study offer a novel approach to modify the existing drug class of ureidopenicillins to yield antimicrobials with promising utility.}, doi = {10.1002/slct.201800027}, author = {Wagh, Mahendra A. and Baravkar, Sachin B. and Jedhe, Ganesh S. and Borkute, Rachna and Choudhari, Amit S. and Sarkar, Dhiman and Sanjayan, Gangadhar J.} } @article {45359, title = {Design, synthesis and biological screening of novel 1,3,4-oxadiazoles as antitubercular agents}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = { DEC}, pages = { 13304-13310}, type = {Article}, abstract = {A series of novel 2,5-disubstitued 1,3,4-oxadiazole derivatives bearing 2,2-dimethyl-2,3-dihydrobenzofuran scaffold has been synthesized and screened for antitubercular activity. All the synthesized compounds were characterized by IR, H-1 NMR, C-13-NMR and Mass spectral study. The in vitro antitubercular activity of the synthesized compounds was evaluated against Mycobacterium tuberculosis H37Ra(ATCC 25177) strain. Among the synthesized compounds, four compound displayed good antitubercular activity IC50 values in low micro-gram range (<10 mu g/mL). The antitubercular data suggested that growth inhibition MTB can be imparted by the introduction of a 4- trifluoromethyl phenyl acetylene substituent. Specificity of these compounds was checked by screening them for their anti-bacterial activity against four bacterial strains (Gram-negative strains: E. coli, S. aureus; Gram-positive strains: P. aeruginosa and B. subtilis). None of the compound displayed antibacterial activity against any of the seleted strain. Molecular docking studies were carried out on InhA (FabI/ENR) which shows that the synthesized compounds bind at the catalytic site in a most favourable manner suggesting their potential as anti-mycobacterial agents. The research presented here was found to be adventitious for the development of new therapeutic agents against Mycobacterium infection.}, issn = { 2365-6549}, doi = {10.1002/slct.201802227}, author = {Tambe, Macchindra S. and Choudhari, Amit and Sarkar, Dhiman and Sangshetti, Jaiprakash and Patil, Rajesh and Gholap, Somnath S.} } @article {44584, title = {Design, synthesis, and gas permeation properties of polyimides containing pendent imidazolium groups}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {56}, year = {2018}, month = {AUG}, pages = {1721-1729}, abstract = {Film-forming polymers containing ionic groups have attracted considerable attention as emerging materials for gas separation applications. The aim of this article was to synthesize new film-forming polyimides containing imidazolium groups (PI-IMs) and establish their structure-performance relationship. In this context, a new aromatic diamine, namely, N-1-(4-aminophenyl)-N-1-(4-(2-phenyl-1H-imidazol-1-yl)phenyl)benzene-1,4-diamine (ImTPADA), was synthesized and polycondensed with three aromatic dianhydrides, namely, 4,4-(hexafluoroisopropylidene)diphthalic anhydride, 4,4-(4,4-isopropylidenediphenoxy) bis(phthalic anhydride), and 4,4-oxydiphthalic anhydride to form the corresponding polyimides containing pendent 2-phenylimidazole groups (PI-IEs). Next, PI-IMs were prepared by N-quaternization of pendent 2-phenylimidazole groups present in PI-6FDA using methyl iodide followed by anion exchange with bis(trifluoromethane)sulfonimide lithium salt (LiTf2N). PI-IEs and PI-IMs exhibited reasonably high molecular weights, amorphous nature, good solubility, and could be cast into self-standing films from their DMAc solutions. Thermogravimetric analysis showed that 10\% weight loss temperature of PI-IEs and PI-IMs were in the range 545-475 degrees C and 303-306 degrees C, respectively. Gas permeability analysis of films of PI-IEs and PI-IMs was investigated by variable-volume method and it was observed that incorporation of ionic groups into PI-6FDA resulted in increased permeability while maintaining selectivity. In particular, polymer bearing Tf2N- anion exhibited high CO2 permeability (33.3 Barr) and high selectivity for CO2/CH4 (41.1) and CO2/N-2 (35.4). (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 1721-1729}, doi = {10.1002/pola.29053}, author = {Shrimant, Bharat and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article {44195, title = {Design, synthesis, and pharmacological evaluation of fluorinated azoles as anti-tubercular agents}, journal = {Archiv Der Pharmazie}, volume = {351}, year = {2018}, month = {FEB}, pages = {e1700294}, type = {Article}, abstract = {
Design, synthesis, and biological screening of 2,2-dimethyl-2,3-dihydrobenzofuran tethered 1,3,4-oxadiazole derivatives as anti-tubercular agents were described. The synthesis of the target compounds was conducted by a series of reaction schemes. All the synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR, and mass spectrometry. The therapeutic potential of the synthesized compounds was confirmed by molecular docking studies. Among the synthesized compounds, 12a, 12c, 12d, 12e, 12g, and 12j were found to be more active against non-replicating than against replicating cultures of Mycobacterium tuberculosis H37Ra ex vivo and in vitro. These compounds exhibit minimum inhibitory concentration (MIC) values in the range of 2.31-23.91g/mL. The cytotoxicity study was conducted against the cell lines THP-1, A549 and PANC-1, and the compounds were observed to be non-toxic to host cells. Molecular docking was conducted with InhA (FabI/ENR) and suggested the antimycobacterial potential of the synthesized compounds. The investigation presented here was found to be adventitious for the development of new therapeutic agents against Mycobacterium infection.
}, keywords = {1, 2, 2-dimethyl-2, 3, 3-dihydrobenzofuran, 4-Oxadiazole, anti-tubercular agents, Cytotoxicity, Molecular docking}, issn = {0365-6233}, doi = {10.1002/ardp.201700294}, author = {Gholap, Somnath and Tambe, Macchindra and Nawale, Laxman and Sarkar, Dhiman and Sangshetti, Jaiprakash and Damale, Manoj} } @article {45390, title = {Design, synthesis, docking studies and biological screening of 2-thiazolyl substituted-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazines as potent HIV-1 reverse transcriptase inhibitors}, journal = {European Journal of Medicinal Chemistry}, volume = {157}, year = {2018}, month = {SEP}, pages = {310-319}, type = {Article}, abstract = {1,3-oxazine nucleus and thiazolyl group features prominently in many biologically important natural products as well as bioactive molecules. A series of novel 2-thiazolyl substituted-2,3-dihydro-1H-naphtho [1,2-e][1,3]oxazine derivatives were designed and synthesized based on their structure-activity relationships (SARs) from 2-naphthol, substituted thiazolyl amines and formalin through ring closure by one-pot three component reaction. These derivatives were first evaluated for their inhibitory effect on HIV-1 Reverse Transcriptase (RT) enzyme activity. Out of 14 compounds, 4 showed potent inhibition of HIV-1 RT activity at significantly low concentration. Docking studies of these molecules revealed their high affinity binding to several amino acids of HIV-1 RT which are less sensitive to point mutations. Furthermore, anti-HIV activity of these molecules was analysed in a CD4(+) T cell-line, which indicates that Therapeutic Index (TI) of some of these compounds is better than Zidovudine and Efavirenz, known HIV-1 RT inhibitors. Taken together, our studies report for the first time some novel naphthoxazine derivatives with significant TI, which is through inhibition of HIV-1 RT activity. (C) 2018 Elsevier Masson SAS. All rights reserved.}, doi = {10.1016/j.ejmech.2018.07.067}, author = {Gawali, Rakhi and Trivedi, Jay and Bhansali, Sujit and Bhosale, Raghunath and Sarkar, Dhiman and Mitra, Debashis} } @article {44244, title = {Detection of ciprofloxacin residues in cow milk: a novel and rapid optical beta-galactosidase-based screening assay}, journal = {Microchemical Journal}, volume = {136}, year = {2018}, month = {JAN}, pages = {128-132}, type = {Article}, abstract = {
Ciprofloxacin (a member of the fluoroquinolone class) is one of the most widely used antibacterial agents for the treatment of bacterial infections in livestock. The improper use of such antibacterial agents could lead to the presence of residues in animal origin foods (including milk) and consequently harmful effects for health of consumers, together with the spread of antibiotic-resistant bacterial strains. Therefore, in order to support good farming practices and to ensure food safety, antimicrobial (in particular fluoroquinolones) residues surveillance through improved monitoring techniques is crucial. However, commercial available kits for the detection of fluoroquinolones residues in food samples are time-consuming and still fail to detect MRL concentrations for fluoroquinolones (e.g. 0.1 mg/kg for the sum of enrofloxacin and ciprofloxacin residues). Here a novel and rapid assay for ciprofloxacin residual detection through optical microbiological screening in commercially pasteurized cow{\textquoteright}s milk samples is described. Escherichia coli ATCC 11303 cell proliferation was optically monitored by measuring endogenous (beta-gal activity that was determindd through colorimetric assay in the presence of a chromogenic beta-gal artificial substrate. Optical density of E. coli cell culture (linked to cell proliferation) was positively correlated with endogenous beta-gal activity. As the presence of ciprofloxacin residues inhibits the E. coli cell proliferation in tested samples, (3-gal levels decreased more in exposed samples than in control. The essential step of beta-gal induction (usually obtained by IPTG) was obtained by exploiting the lactose present in the milk. Our findings show a detection of ciprofloxacin residues at 1 MRL concentration after 1 h using ONPG as chromogenic 3 gal artificial substrate and lactose as (3-gal inducer. Compared to previously described methods, this assay proved to be a rapid, proficient and more eco-friendly (i.e. minimizing the use of additional reagents) system that could be potentially employed as screening method for detection ciprofloxacin residues in cow{\textquoteright}s milk. (C) 2016 Elsevier B.V. All rights reserved.
}, keywords = {Antibiotic resistance, Farm animals, Fluoroquinolones, HACCP, One health, Primary production, Risk assessment and management}, issn = {0026-265X}, doi = {10.1016/j.microc.2016.12.014}, author = {Kalunke, Raviraj M. and Grasso, Gerardo and D{\textquoteright}Ovidio, Renato and Dragone, Roberto and Frazzoli, Chiara} } @article {45398, title = {Determination of the effect of polyamines on an oil-degrading strain of Yarrowia lipolytica using an odc minus mutant}, journal = {Fems Yeast Research }, volume = {18}, year = {2018}, month = {DEC}, pages = {10.1093/femsyr/foy073}, type = {Article }, abstract = {Yarrowia lipolytica is an ascomycetous dimorphic yeast with immense potential for industrial applications, including bioremediation of crude oil-contaminated environments. It has been shown that a dimorphic marine isolate of Y. lipolytica (var. indica) has significant capacity to degrade fatty acids and alkanes, when in its yeast morphology. It has also been demonstrated that polyamines play an important role in the yeast-to-mycelium transition of different strains of Y. lipolytica that are unable to utilize those carbon sources. To determine the role of polyamines on their capacity to utilize oils and hydrocarbons, on the dimorphic transition, and also on other characteristics of the var. indica strain of Y. lipolytica, we proceeded to obtain ornithine decarboxylase minus (odc(-)) mutants. These mutants behaved as yeasts independently of the concentrations of putrescine added. Further, they conserved the oil-degrading capacity of the parent strain. The odc(-) mutant can thus be used in fatty acid degradation, and oil spill remediation with distinct advantages.}, issn = { 1567-1356}, doi = { 10.1093/femsyr/foy073}, author = {Campos-Gongora, E. and Palande, A. S. and Leon-Ramirez, C. and Pathan, E. K. and Ruiz-Herrera, J. and Deshpande, M. V.} } @article {44237, title = {Development of enhanced hypericin yielding transgenic plants and somaclones: high throughput direct organogenesis from leaf and callus explants of Hypericum perforatum}, journal = {Industrial Crops and Products}, volume = {111}, year = {2018}, month = {JAN}, pages = {544-554}, type = {Article}, abstract = {
Hypericum perforatum is well known for its anti-depressent properties due to the presence of hypericins and hyperforins. The direct regeneration protocol from leaf explants and Agrobacterium tumefaciens mediated genetic transformation is a prerequisite for gene transfer studies in this valuable plant system as H. perforatum has shown its recalcitrance to these studies previously. The aim of generating transgenic shoots or somaclones in the present study is to select high hypericine yielding H. perforatum plants. High throughput direct bud organogenesis from leaf explants has been achieved for the first time in this plant system on media combination of MS + 5.0 mg/l BAP + 1.0 mg/l. This medium interestingly also worked as the indirect regeneration media for generation of somaclones from callus cultures. Thus far optimized single media can be used for direct and indirect regeneration in H. perforatum. The direct regeneration frequency of plantlets from leaf explants was found to be 80\% while 100\% was the regeneration frequency noted for indirect plantlet regeneration from callus cultures. The optimized direct regeneration protocol from leaf explants was utilized for A. tumefaciens (harbouring pCAMBIA 1301) mediated genetic transformation studies with the aim of establishing transgenic lines of H. perforatum. The resultant study successfully gave rise to kanamycin resistant GUS positive shoots with transformation efficiency of 3136 +/- 3.6. A total of four transgenic H. perforatum clones namely T2, T3, T5 and T8 with different growth parameters were established, where highest of fivefold increase in hypericin content was recorded by T5 (276.8 +/- 9.2 mu g/g dry wt.) in comparison to control non transformed plants (35.6 +/- 2.7 mu g/g dry wt.). Interestingly the presence of serotonin and melatonin was also detected in transgenic plants on TLC basis. The transgenic nature of the plants was confirmed by PCR with amplification of uidA gene. Apart from it, from indirect regeneration from callus, total of ten somaclones were generated. The ISSR profiling of somaclones scored a total of 156 bands, among which 118 were polymorphic in nature. The glasshouse established soma clones showed up to twofold increase in hypericin content on HPLC analysis.
}, keywords = {Direct regeneration, Hypericin, Hypericum perforation, Indirect regeneration, ISSR, Somaclones, Transgenic plants}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2017.11.032}, author = {Khan, Shamshad A. and Verma, Priyanka and Arbat, Akshata and Gaikwad, Sushma and Parasharami, Varsha A.} } @article {44452, title = {Diastereoselective synthesis of (A{\textpm})- epi-subincanadine C}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {MAY}, pages = {5308-5316}, type = {Article}, abstract = {Starting from indolylmaleimide, concise and efficient total synthesis of ({\textpm})-epi-subincanadine C was described via stereoselective Wittig olefination, base-induced selective mono-prenylation, regioselective Grignard reaction, diastereoselective Pictet{\textendash}Spengler cyclization, regioselective oxidative carbon{\textendash}carbon double-bond cleavage, one-pot reductions, and intramolecular cyclization pathway. An attempted synthesis of ({\textpm})-subincanadine C via diastereoselective Grignard addition to the α,β-unsaturated γ-lactam or diastereoselective reduction of a carbon{\textendash}carbon double bond also resulted in yet another route to ({\textpm})-epi-subincanadine C.}, doi = {10.1021/acsomega.8b00587}, author = {Kalshetti, Manojkumar and N. P. Argade} } @conference {44600, title = {Differential responses of CHO cells adapted to limitation of inorganic phosphate, glucose or glutamine}, booktitle = {255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water}, year = {2018}, month = {MAR }, publisher = {American-Chemical-Society, 1155 16TH ST, NW, Washington, DC 20036 USA}, organization = {American-Chemical-Society, 1155 16TH ST, NW, Washington, DC 20036 USA}, address = {New Orleans, LA}, author = {Maralingannavar, Vishwanathgouda and Parmar, Dharmeshkumar and Pant, Tejal and Gadgil, Chetan and Panchagnula, Venkateswarlu and Gadgil, Mugdha} } @article {44453, title = {Dihedral angle control to improve the charge transport properties of conjugated polymers in organic field effect transistors}, journal = {Chemical Physics Letters}, volume = {695}, year = {2018}, month = {MAR}, pages = {51-58}, abstract = {Diketopyrrolopyrrole (DPP) and i-Indigo (i-Ind) are two monomers that are widely explored as active materials in organic field effect transistor and solar cells. These two molecules showed impressive charge carrier mobility due to better packing that are facilitated by quadrupoles. We hypothesized that the copolymers of these monomers would also exhibit high charge carrier mobility. However, we envisioned that the dihedral angle at the connecting point between the monomers will play a crucial role in packing as well as charge transport. To understand the impact of dihedral angle on charge transport, we synthesized three copolymers, wherein the DPP was sandwiched between benzenes, thiophenes and furans. The copolymer of i-Indigo and furan comprising DPP showed a band gap of 1.4 eV with a very high dihedral angle of 179 degrees. The polymer was found to pack better and the coherence length was found to be 112 angstrom. The hole carrier mobility of these polymer was found to be highest among the synthesized polymer i. e. 0.01 cm(2)/vs. The copolymer comprising benzene did not transport hole and electrons. The dihedral angle at the connecting point between i and Indigo and benzene DPP was 143 angstrom, which the packing and consequently charge transport properties. (C) 2018 Elsevier B. V. All rights reserved.}, doi = {10.1016/j.cplett.2018.01.052}, author = {Dharmapurikar, Satej S. and Chithiravel, Sundaresan and Mane, Manoj V. and Deshmukh, Gunvant and Krishnamoorthy, Kothandam} } @article {44615, title = {Direct access to N-alkylated amines and imines via acceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {JUL}, pages = {3469-3473}, abstract = {
A simple, phosphine-free Co(ii)-NNN pincer complex catalyzed direct N-alkylation of anilines with alcohols via hydrogen auto-transfer (HA) and selective acceptorless dehydrogenative coupling (ADC) of benzylamines with alcohols affording imines with the liberation of molecular hydrogen and water is reported.
}, issn = {2044-4753}, doi = {10.1039/c8cy00859k}, author = {Midya, Siba P. and Pitchaimani, Jayaraman and Landge, Vinod G. and Madhu, Vedichi and Balaraman, Ekambaram} } @article {45368, title = {Direct synthesis of diethyl carbonate from ethanol and carbon dioxide over ceria catalysts}, journal = {New Journal Of Chemistry}, volume = {42}, year = {2018}, month = {NOV}, pages = {17546-17552}, type = {Article}, abstract = {
Direct synthesis of diethyl carbonate (DEC) by carboxylation of ethanol with CO2 was investigated over ceria catalysts. 2-Cyanopyridine (2-CP) was used for trapping water formed in the reaction and to shift the equilibrium towards the product side. An optimal dependence (volcanic plot) of the catalytic activity on the acidity/basicity molar ratio was observed. Neat ceria (procured from Daiichi Kigenso Kagaku Kogyo Co. Ltd, Japan) showed higher catalytic activity than metal incorporated ceria catalysts. CeO2 had the right kind of acidity/basicity ratio to activate ethanol and CO2 simultaneously, yielding DEC. The catalyst was reusable. The yield of DEC obtained in this study using the commercial catalyst was higher than that reported by others using ceria catalysts prepared by other methods. Under optimum conditions (ethanol:2-CP molar ratio = 2:1, catalyst = 2.17 wt\% with respect to ethanol, CO2 pressure = 40 bar, reaction temperature = 150 degrees C and reaction time = 3 h) in a batch reaction, a DEC yield as high as 45 mol\% (i.e., 38.7 mmol mmol(-1) of CeO2) was obtained.
}, issn = { 1144-0546}, doi = {10.1039/c8nj04090g}, author = {Giram, Ganesh G. and Bokade, Vijay V. and Darbha, Srinivas} } @article {44386, title = {Disintegrable NIR light triggered gold nanorods supported liposomal nanohybrids for cancer theranostics}, journal = {Bioconjugate Chemistry}, volume = {29}, year = {2018}, month = {MAY}, pages = {1510-1518}, abstract = {In this work, facile synthesis and application of targeted, dual therapeutic gold nanorods-liposome (GNR-Lipos) nanohybrid for imaging guided photothermal therapy and chemotherapy is investigated. The dual therapeutic GNR-Lipos nanohybrid consists of GNR supported, and doxorubicin (DOX) loaded liposome. GNRs not only serve as a photothermal agent and increase the drug release in intracellular environment of cancer cells, but also provide mechanical strength to liposomes by being decorated both inside and outside of bilayer surfaces. The designed nanohybrid shows a remarkable response for synergistic chemophotothermal therapy compared to only chemotherapy or photothermal therapy. The NIR response, efficient uptake by the cells, disintegration of GNR-Lipos nanohybrid, and synergistic therapeutic effect of photothermal and chemotherapy over breast cancer cells MDA-MB-231 are studied for the better development of a biocompatible nanomaterial based multifunctional cancer theranostic agent.}, doi = {10.1021/acs.bioconjchem.7b00801}, author = {Chauhan, Deepak S. and Prasad, Rajendra and Devrukhkar, Janhavi and Selvaraj, Kaliaperumal and Srivastava, Rohit} } @article {45371, title = {Dissociative chemisorption of hydrogen molecules on defective graphene-supported aluminium clusters: a computational study}, journal = {Physical Chemistry Chemical Physics }, volume = {20}, year = {2018}, month = {NOV}, pages = {26506-26512}, type = {Article}, abstract = {
Using periodic density functional theory-based calculations, in the present study, we address the chemical bonding between aluminium clusters (Al-n, n = 4-8 and 13) and monovacant defective graphene. The adsorption strength of the above-mentioned aluminium clusters is fivefold (approximate to 3 to 5 eV) higher on defective graphene as compared to the earlier reported values on non-defective graphene and BN-doped graphene. The Bader charge analysis and different charge densities reveal that this adsorption is driven by significant charge transfer from the Al clusters to defective graphene. Thus, chemisorbed Al clusters demonstrate high activity towards dissociative adsorption of molecular hydrogen.
}, issn = { 1463-9076}, doi = {10.1039/c8cp05711g}, author = {Kumar, Deepak and Govindaraja, Thillai and Krishnamurty, Sailaja and Kaliaperumal, Selvaraj and Pal, Sourav} } @article {45367, title = {Distribution of water in the pores of periodic mesoporous organosilicates - a proton solid state MAS NMR study}, journal = {Physical Chemistry Chemical Physics }, volume = {20}, year = {2018}, month = {DEC}, pages = {29351-29361}, type = {Article}, abstract = {Solid state proton (H-1) magic angle spinning (MAS) NMR has been employed to study the distribution of confined water in ethane substituted periodic mesoporous organosilicate (PMOE) materials. Proton spectra acquired at different hydration levels are analysed and interpreted in terms of water clusters of various sizes and distributions of water layers on the pore surface. For comparison, we also performed similar experiments on SBA-15. The formation of larger clusters at lower hydration suggests that the pores of PMOE are getting filled with water at lower hydration levels than those in SBA-15. For PMOE, the simultaneous presence of two major resonances in the ranges 3.6-4.1 ppm and 4.4-5.2 ppm and their behaviour upon hydration imply a water layer distribution that is the sum of two contributions, corresponding to fully filled and partially filled pores or pore segments. Furthermore, the behaviour mentioned above suggests that both radial and axial filling mechanisms play a significant role in the hydration process. For SBA-15, as a function of hydration, we observed a smooth variation in the proton chemical shift of the main dynamic resonance. In accordance with previous studies, this is attributed to the gradual increase in the average thickness of water layers with an increase in hydration, and to a pore filling mechanism that is predominantly radial.}, issn = {1463-9076}, doi = { 10.1039/c8cp04902e}, author = {Veena, V. S. and Illath, Kavya and Lazar, Anish and Vinod, C. P. and Ajithkumar, T. G. and Jayanthi, S.} } @article {44454, title = {Divergent synthesis of oxindolylidene acetates and spirooxindolopyrrolidones from arynes}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {MAR}, pages = {1483-1486}, abstract = {A novel process for the preparation of various (E)-oxindolylidene acetates using arynes and carbamoylpropiolates has been developed. The utility of this protocol is also further extended to the one-pot synthesis of complex spirooxindolopyrrolidones. This method provides a milder and transition-metal-free access to both of the target scaffolds in moderate to good yields.}, doi = {10.1021/acs.orglett.7b03661}, author = {Pandya, Virat G. and Mhaske, Santosh B.} } @article {44456, title = {Diversity in binding, regulation, and evolution revealed from high-throughput ChIP}, journal = {PLoS Computational Biology}, volume = {14}, year = {2018}, month = {APR}, pages = {Article Number: e1006090}, abstract = {
Genome-wide in vivo protein-DNA interactions are routinely mapped using high-throughput chromatin immunoprecipitation (ChIP). ChIP-reported regions are typically investigated for enriched sequence-motifs, which are likely to model the DNA-binding specificity of the profiled protein and/or of co-occurring proteins. However, simple enrichment analyses can miss insights into the binding-activity of the protein. Note that ChIP reports regions making direct contact with the protein as well as those binding through intermediaries. For example, consider a ChIP experiment targeting protein X, which binds DNA at its cognate sites, but simultaneously interacts with four other proteins. Each of these proteins also binds to its own specific cognate sites along distant parts of the genome, a scenario consistent with the current view of transcriptional hubs and chromatin loops. Since ChIP will pull down all X-associated regions, the final reported data will be a union of five distinct sets of regions, each containing binding sites of one of the five proteins, respectively. Characterizing all five different motifs and the corresponding sets is important to interpret the ChIP experiment and ultimately, the role of X in regulation. We present DIVERSITY which attempts exactly this: it partitions the data so that each partition can be characterized with its own de novo motif. DIVERSITY uses a Bayesian approach to identify the optimal number of motifs and the associated partitions, which together explain the entire dataset. This is in contrast to standard motif finders, which report motifs individually enriched in the data, but do not necessarily explain all reported regions. We show that the different motifs and associated regions identified by DIVERSITY give insights into the various complexes that may be forming along the chromatin, something that has so far not been attempted from ChIP data. Webserver at nci.res.i, if; standalone (Mac OS X/Linux) from from https://github.com/NarlikarLab/DIVERSITY/releases/tag/v1.0.0.
}, doi = {10.1371/journal.pcbi.1006090}, author = {Mitra, Sneha and Biswas, Anushua and Narlikar, Leelavati} } @article {44457, title = {Draft genome sequence of Marinomonas fungiae strain AN44T (JCM 18476T), isolated from the coral Fungia echinata from the Andaman Sea}, journal = {Genome Announcements}, volume = {6}, year = {2018}, month = {MAR}, abstract = {Marinomonas fungiae strain AN44Twas isolated from mucus of the coralFungia echinataOptimum growth occurs at 3 to 5\% NaCl. The draft genome is 4.2 Mb, with 3,776 protein-coding genes. It harbors genes for the degradation of aromatic compounds, such as quinate, ferulate,p-coumarate, protocatechuate, andp-hydroxyphenylacetate.}, doi = {10.1128/genomeA.00112-18}, author = {Kumari, Prabla and Badhai, Jhasketan and Das, Subrata K.} } @article {44647, title = {Dynamics of loops at the substrate entry channel determine the specificity of iridoid synthases}, journal = {Febs Letters}, volume = {592}, year = {2018}, month = {AUG}, pages = {2624-2635}, abstract = {
Iridoid synthases belong to the family of short-chain dehydrogenase reductase involved in the biosynthesis of iridoids. Despite having high sequence and structural homology with progesterone 5 beta- reductase, these enzymes exhibit differential substrate specificities. Previously, two loops. L1 and L2 at substrate-binding pocket, were suggested to be involved in generating substrate specificity. However, the structural basis of specificity determinants was elusive. Here, combining sequence and structural analysis, site-directed mutagenesis, and molecular dynamics simulations, we have shown that iridoid synthase contains two channels for substrate entry whose geometries are altered by L1-L2 dynamics, primarily orchestrated by interactions of residues Glu161 and Gly162 of L1 and Asn358 of L2. A complex interplay of these interactions confer the substrate specificity to the enzyme.
}, keywords = {iridoid synthase, iridoids, Molecular dynamics simulations, progesterone 5 beta-reductase, Substrate specificity}, issn = {1873-3468}, doi = {10.1002/1873-3468.13174}, author = {Sandholu, Anand S. and Mohole, Madhura and Duax, William L. and Thulasiram, Hirekodathakallu V. and Sengupta, Durba and Kulkarni, Kiran} } @article {44458, title = {Easily accessible lithium compound catalyzed mild and facile hydroboration and cyanosilylation of aldehydes and ketones}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {APR}, abstract = {Simple and readily accessible lithium compounds such as 2,6-ditertbutyl phenolate lithium (1a), 1,1{\textquoteright} dilithioferrocene (1b) and nacnac lithium (1c) are found to be efficient single site catalysts for hydroboration of...}, doi = {10.1039/C8CC02314J}, author = {Bisai, Milan and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {44619, title = {Education with a purpose}, journal = {Current Science}, volume = {115}, year = {2018}, month = {JUL }, pages = {20-21}, issn = {0011-3891}, author = {Nangia, Ashwini K.} } @article {44189, title = {Effect of alkali and alkaline earth metal on Co/CeO2 catalyst for the water gas shift reaction of waste derived synthesis gas}, journal = {Applied Catalysis A-General}, volume = {551}, year = {2018}, month = {FEB }, pages = {63-70}, type = {Article}, abstract = {
We prepared a series of alkali (Na and K) and alkaline earth metal (Ca and Ba) promoted Co/CeO2 catalysts to investigate the effect of the promoter on the catalytic performance of the catalyst in the high-temperature water gas shift (WGS) reaction of waste derived synthesis gas. Interestingly, alkali metal promoted catalysts deactivated rapidly compared to alkaline earth metal promoted catalysts. Alkaline earth metal promoted catalysts showed relatively higher stability (\>50 h) even at a very high gas hourly space velocity of 143,000 h(-1). X-ray diffraction (XRD) and transmission electron microscopy (TEM) results reveal that the higher stability of the alkaline earth metal promoted catalysts was due to the strong resistance to sintering, showing a relatively small crystallite size of metallic cobalt compared to the alkali metal promoted catalysts after WGS reaction.
}, keywords = {Alkaline earth metal, Co/CeO2, High temperature water-gas shift, Sintering resistance, stability, Waste derived synthesis gas}, issn = {0926-860X}, doi = {10.1016/j.apcata.2017.12.009}, author = {Lee, Yeol-Lim and Jha, Ajay and Jang, Won-Jun and Shim, Jae-Oh and Rode, Chandrashekhar V. and Jeon, Byong-Hun and Bae, Jong Wook and Roh, Hyun-Seog} } @article {44459, title = {Effect of crystal packing on the thermosalient effect of the pincer-type diester naphthalene-2,3-diyl-bis(4-fluorobenzoate): a new class II thermosalient solid}, journal = {Chemistry-A European Journal}, volume = {24}, year = {2018}, month = {MAR}, pages = {4133-4139}, abstract = {The pincer-like double ester naphthalene-2,3-diyl-bis(4-fluorobenzoate) (2) is pentamorphic. Upon heating crystals of form I to below their melting point (441-443 K), they undergo a phase transition accompanied by a thermosalient effect, that is, rare and visually striking motility whereby the crystals jump or disintegrate. The phase transition and the thermosalient effect are reversible. Analysis of the crystal structure revealed that form I is a class II thermosalient solid. Crystals of form III also underwent a reversible phase transition in the temperature range of 160 to 170 K; however, they were not thermosalient. Comparison of the structures and the mechanical responses of the two polymorphs revealed that the thermosalient effect of form I was due to reversible closing and opening of the arms of the diester molecules in a tweezer-like action.}, doi = {10.1002/chem.201705586}, author = {Tamboli, Majid I. and Karothu, Durga Prasad and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Naumov, Pance} } @article {44602, title = {Effect of hyperglycemic conditions on the early self-assembly of the alzheimer{\textquoteright}s amyloid beta peptide: implications for neurotoxicity}, journal = {Biophysical Journal}, volume = {114}, year = {2018}, month = {FEB }, pages = {227A}, type = {Meeting Abstract}, issn = {0006-3495}, author = {Menon, Sneha and Sengupta, Neelanjana} } @article {44460, title = {Effect of membrane composition on receptor association: implications of cancer lipidomics on ErbB receptors}, journal = {Journal of Membrane Biology}, volume = {251}, year = {2018}, month = {JAN}, pages = {359-368}, type = {Article}, abstract = {
The association of single transmembrane receptors, such as the ErbB receptors is a key event in initiating cell signaling networks. The interactions between these receptors have been well characterized for both ligand-driven and pre-formed dimers. However, the role of the membrane in modulating association is less well understood and assumes greater importance in light of altered membrane composition in diseased states. Here, we discuss how membrane composition has been observed to induce both structural and dynamic differences in receptor association. Computational studies, especially those using coarse-grain simulations have been successful in predicting the role of the membrane and calculating the related free energy landscapes. Membrane perturbations and differences in lipid chain order, related to the lipophobic effect, have been shown to play a large role in driving membrane protein association. Further, we review lipid compositions reported in diseased conditions and its effect on transmembrane receptor association, focusing on the ErbB growth factor receptor dimers in cancer. Understanding the role of the membrane in receptor association will provide general design principles driving receptor organization, as well as help to identify novel therapeutic strategies.
}, doi = {10.1007/s00232-018-0015-1}, author = {Pawar, Aiswarya and Sengupta, Durba} } @article {44629, title = {Effect of sodium dodecyl sulfate surfactant on methane hydrate formation: a molecular dynamics study}, journal = {Journal of Physical Chemistry B}, volume = {122}, year = {2018}, month = {JUN}, pages = {6536-6542}, abstract = {
In experimental studies, it has been observed that the presence of sodium dodecyl sulfate (SDS) significantly increases the kinetics of hydrate formation and the final water-to-hydrate conversion ratio. In this study, we intend to understand the molecular mechanism behind the effect of SDS on the formation of methane hydrate through molecular dynamics simulation. Hydrate formation conditions similar to that of laboratory experiments were chosen to study hydrate growth kinetics in 1 wt \% SDS solution. We also investigate the effect of interactions with isolated SDS molecules on methane hydrate growth. It was observed that the hydrophobic tail part of the SDS molecule favorably interacts with the growing hydrate surface and may occupy the partial hydrate cages while the head groups remain exposed to water.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.8b02285}, author = {Choudhary, Nilesh and Hande, Vrushali R. and Roy, Sudip and Chakrabarty, Suman and Kumar, Rajnish} } @article {44393, title = {Effect of structural properties of organosolv lignins isolated from different rice husks on their liquefaction using acidic ionic liquids}, journal = {Clean Technologies and Environmental Policy}, volume = {20}, year = {2018}, month = {MAY}, pages = {739-750}, abstract = {Lignin is the only naturally available sustainable resource of aromatic compound on the Earth. Depending on the properties of lignin and the reaction conditions employed for the liquefaction, it is observed that the product distribution alters. Since ionic liquids (ILs) are considered as green and have tuneable properties, in the current work, imidazolium-based acidic ILs were employed to liquefy organosolv lignins derived from different varieties of rice husks. When liquefaction was carried out at 120 A degrees C for 1 h 36\% yield for EtOAc- and DEE-soluble products with high mass balance (97 +/- 3\%) was observed. The detailed characterisations of lignins and organic solvent-soluble products were done by variety of techniques [GC-MS, FT-IR, UV-Vis, 2D (HSQC) NMR], and based on this, the correlation between activity and properties of catalyst and lignin was established. Depolymerisation of organosolv lignin (derived from three rice husks) into aromatic product was done, and experimental correlation studies were performed in both. }, doi = {10.1007/s10098-017-1435-9}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {44461, title = {Effect of support on the catalytic activity of WOx promoted Pt in green diesel production}, journal = {Molecular Catalysis}, volume = {451}, year = {2018}, month = {MAY}, pages = {125-134}, abstract = {Platinum and WOx-promoted platinum supported on SiO2-Al2O3, Al2O3, AlPO4-5 and ZrO2 catalysts were prepared by wet impregnation method and investigated for deoxygenation of oleic acid (OA, a representative fatty acid) producing diesel-range hydrocarbons. Support and WOx influenced the textural, electronic and catalytic properties of Pt. WOx promoted the deoxygenation activity through hydrodeoxygenation pathway. Structure-activity correlations revealed that metallicity of Pt and acidity of the catalyst are crucial in determining the catalytic performance and product selectivity. Among the catalysts tested, 4Pt-8WO(x)/ZrO2, having adequate metal dispersion and electron rich Pt (desired for hydrogen splitting), reduced WOx species (W5+;-desired for OA activation) and less amount of strong acid sites (desired to avoid hydrocracking) showed highest catalytic deoxygenation performance (OA conversion = 100 mol\% and C18 hydrocarbon selectivity = 89.4\% at 260 degrees C and 20 bar H-2 pressure). The study reveals that support plays a crucial role in determining the catalytic performance of platinum. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.mcat.2017.11.029}, author = {Janampelli, Sagar and Darbha, Srinivas} } @article {44335, title = {Effect of titration time on the catalytic performance of Cu/CeO2 catalysts for water-gas shift reaction}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {83-88}, type = {Article}, abstract = {We herein report the preparation of ceria (CeO2) via a simple precipitation method for use as a catalyst support in the water-gas shift (WGS) reaction. More specifically, we optimized the titration time required to obtain highly active CeO2-supported catalysts for the WGS reaction. As such, Cu was employed as the active metal coupled with the CeO2 support. Notably, the CeO2-0 supported Cu catalyst (where the precipitant was immediately injected into a cerium nitrate solution) exhibited the highest CO conversion at a gas hourly space velocity of 36,050 h(-1). This high catalytic activity of the Cu/CeO2-0 catalyst was mainly due to its high Brunauer-Emmett-Teller (BET) surface area, enhanced Cu dispersion, high number of oxygen vacancies, and enhanced reducibility.}, issn = {09205861}, doi = {10.1016/j.cattod.2017.10.007}, author = {Na, Hyun-Suk and Shim, Jae-Oh and Jang, Won-Jun and Jeon, Kyung-Won and Kim, Hak-Min and Lee, Yeol-Lim and Lee, Da-We and Yoo, Seong-Yeun and Bae, Jong Wook and Rode, Chandrashekhar V. and Roh, Hyun-Seog} } @article {45432, title = {Effect of turbulent dispersion on hydrodynamic characteristics in a liquid jet ejector}, journal = {Energy}, volume = {164}, year = {2018}, month = {DEC}, pages = {10-20}, type = {Article}, abstract = {Gas induction using a liquid jet is an extensively studied phenomenon. Many studies have been published detailing various hydrodynamic and mass transport aspects of gas induction in ejectors. Conversely, multiple studies have been published detailing jet dynamics, jet break up, nozzle geometry, effects of turbulence etc. In the modelling of the jet ejector systems CFD framework is used as the flow of gas is coupled with the liquid flow and the flow parameters like volume fraction, pressure drop/profile and velocity profiles both local and average are highly interdependent. Hence, it becomes important to capture all the flow physics in the simulations in order to understand the hydrodynamics. In the previous models the effect of turbulent dispersion was not included which led to incorrect calculation of phase profile, and other related parametric values. In the present work, the turbulence effects and its impact on the jet dynamics and gas induction rate in an ejector have been studied. Capturing the correct phase as well as velocity profile is imperative for the extension of the model to mass transfer and reactions. Lastly, other hydrodynamic properties like pressure drop, phase hold up and pressure profile help better the design correlations for jet ejectors.}, issn = {0360-5442}, doi = {10.1016/j.energy.2018.08.171}, author = {Sharma, Deepankar and Patwardhan, Ashwin and Ranade, Vivek} } @article {44394, title = {Effects of constant kinetic energy of different impacting particles on slurry erosion wear of AA 6063}, journal = {Journal of Tribology-Transactions of the ASME}, volume = {140}, year = {2018}, month = {MAY}, pages = {Article Number: 031605}, type = {Article}, abstract = {The present experimental study investigates the effect of constant kinetic energy on erosion wear of aluminum alloy 6063. Three different natural erodents (quartz, silicon carbide, and alumina) with different particle sizes are used to impact at 45 deg and 90 deg impact angles. For calculating the number of particles in the slurry pot, it is assumed that the solid particles are of spherical shape. The total numbers of impacting solid particles were kept constant by adjusting the solid concentration, velocity, and test duration. The scanning electron microscope (SEM) images of the three erodents show that the alumina particles have sharp edges with more angularity, and silicon carbide particles have subangular nature while quartz particles are blocky in shape. The mass loss per particle at 45 deg impact angle is observed higher than at normal impact angle. It may be due to the change in material removal mechanism with changing the impact angle. It is also found that the mass loss per particle from the target material having different particle size with constant kinetic energy remains constant for respective erodents. This indicates that the velocity exponent of impacting particles is around 2. The SEM images of eroded surfaces reveal the different mechanisms of material removal at 45 deg impact angle and at normal impact angle.}, issn = {07424787}, doi = {10.1115/1.4038355}, author = {Nandre, Bhushan D. and Desale, Girish R.} } @article {45406, title = { Efficient method for cyclopentanone synthesis from furfural: understanding the role of solvents and solubility in a bimetallic catalytic system}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {OCT}, pages = {5259-5269}, type = {Article}, abstract = {The platform chemical, furfural (FAL), is obtained from C5 stream of biomass, and effective conversion into various chemicals including cyclopentanone (CPO) would find many industrial applications. It is desirable to convert FAL to CPO under low H-2 pressure with high selectivity. In the current work, bimetallic catalysts with Pt as the base metal supported on carbon are evaluated in the synthesis of CPO using a biphasic solvent system. By tuning the solvent ratio, with toluene/water (3:4 v/v), 75\% yield of CPO is achieved under 1 MPa H-2 at 180 degrees C. The difference in solubility of the substrate, intermediates and products, along with the optimum ratio of Pt and Co metals plays a crucial role in achieving better yields.}, issn = { 2044-4753}, doi = {10.1039/c8cy01468j}, author = {Dohade, Manisha and Dhepe, Paresh L.} } @article {44388, title = {Efficient method for synthesis of 2,5-furandicarboxylic acid from 5-hydroxymethylfurfural and fructose using Pd/CC catalyst under aqueous conditions}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {6}, year = {2018}, month = {MAY}, pages = {5766-5771}, abstract = {Pd/CC catalyst was synthesized from readily available biomass-derived D-glucose. The catalyst was characterized using various techniques such as Fourier transform infrared spectroscopy, powder X-ray diffraction, energy dispersive X-ray analysis, scanning electron microscopy, C-13 cross polarization NMR, transmission electron microscopy, X-ray photoelectron spectroscopy, and Brunauer-Emmett-Teller (BET) surface area analysis. This catalyst showed excellent catalytic activity toward the synthesis of industrially important 2,5-furandicarboxylic acid (FDCA) from 5-hydroxymethylfurfural (HMF) and fructose. The process is simple, efficient, green, and industrially feasible. Oxidation of HMF proceeded in 85\% yield, and dehydration of fructose followed by oxidation gave 64\% yield of FDCA with 100\% purity using Pd/CC catalyst and molecular O-2 as an oxidizing agent under aqueous reaction conditions. The one pot two step procedure is highly efficient for synthesis of FDCA from fructose as it avoids isolation of HMF and requires a single catalyst for two different steps. FDCA finds utility in next-generation bioplastic poly(ethylene 2,5-furandicarboxylate) (PEF), which is a replacement for fossil-fuel-based poly(ethylene terephthalate) (PET).}, doi = {10.1021/acssuschemeng.7b03124}, author = {Rathod, Pramod V. and Jadhav, Vrushali H.} } @article {44605, title = {Efficient solar light-driven H-2 production: post-synthetic encapsulation of a Cu2O co-catalyst in a metal-organic framework (MOF) for boosting the effective charge carrier separation}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {JUL}, pages = {3286-3294}, abstract = {
The development of new and efficient catalytic systems for solar light-driven hydrogen generation is one of the prime focuses of contemporary chemical sciences. Indeed, the charge carrier separation efficiency of a photocatalyst plays a vital role in photocatalysis. Herein, we have successfully designed a Cu2O-encapsulating NH2-MIL-125(Ti) MOF by a post-synthetic encapsulation strategy. The Cu2O-encapsulating MOF material showed a remarkable enhancement in photocatalytic H-2 production activity under solar light illumination. Gratifyingly, the H-2 production activity under solar light was around approximate to 28-fold higher than that of the pristine MOF. The enhancement in photocatalytic activity may be attributed to efficient charge carrier separation through Ti3+ sites and the broad light absorption of the Cu2O-encapsulating MOF photocatalyst. The possible electron transport mechanism, potential energy diagram (V vs. NHE), and the existence of Ti3+ ions have been demonstrated by various spectroscopic studies.
}, issn = {2044-4753}, doi = {10.1039/c8cy00604k}, author = {Karthik, Peramaiah and Balaraman, Ekambaram and Neppolian, Bernaurdshaw} } @article {44462, title = {Efforts to access the potent antitrypanosomal marine natural product janadolide: synthesis of des- tert -butyl janadolide and its biological evaluation}, journal = {ACS Omega}, year = {2018}, month = {FEB}, abstract = {To identify novel antitrypanosomal agents based on Janadolide, a potent macrocyclic polyketide{\textendash}peptide hybrid, a macrolactonization strategy was explored. We prepared des-tert-butyl Janadolide and evaluated its antitrypanosomal activity. Our findings suggest that the tert-butyl group is necessary for the desired bioactivity.}, doi = {10.1021/acsomega.7b01920}, author = {Athawale, Paresh R. and Jachak, Gorakh and Shukla, Anurag and Shanmugam, Dhanasekaran and Reddy, Srinivasa} } @article {44181, title = {Electrochemical capacitive energy storage in PolyHIPE derived nitrogen enriched hierarchical porous carbon nanosheets}, journal = {Carbon}, volume = {128}, year = {2018}, month = {MAR}, pages = {287-295}, type = {Article}, abstract = {
Porous and interconnected electrodes based on carbon nanoarchitectures offer comprehensive advantages of large specific surface area and high porosity consequently increasing the specific capacitance of ultracapacitor energy storage systems. Emulsion-templated polymers, PolyHIPEs (Polymerized High Internal Phase Emulsions) are highly porous polymers with a structure of cages interconnected by windows thus provide suitable framework to create such porous carbon nanostructures. Herein, nitrogen enriched porous carbon nanosheets are synthesized by pyrolysis of polymer-silica hybrid PolyHIPE and subsequent silica removal. This nitrogen enriched porous carbon nanosheets when tested as an electrode for ultracapacitor, showed specific capacitance as high as 209 F/g at a current density of 1 A/g in 1 M H2SO4 with excellent capacity retention over long cycling. (c) 2017 Elsevier Ltd. All rights reserved.
}, keywords = {Energy storage, Nitrogen enriched porous carbon nanosheets, PolyHIPE template, Ultracapacitor}, issn = {0008-6223}, doi = {10.1016/j.carbon.2017.11.080}, author = {Deshmukh, Ashvini B. and Nalawade, Archana C. and Karbhal, Indrapal and Qureshi, Mohammed Shadbar and Shelke, Manjusha V.} } @article {44464, title = {Electrochemically synthesized faceted CuInTe2 nanorods as an electron source for field emission applications}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {APR}, pages = {5284-5294}, abstract = {Herein, CuInTe2 (CIT) thin films with faceted nanorod-like morphology have been synthesized on a flexible molybdenum foil using a water-based low-cost electrodeposition technique. The co-deposition potential for CIT was optimized using cyclic voltammetry with respect to that of the Ag/AgCl reference electrode, and films were deposited from -0.6 V to -0.9 V at the working temperature of 75 degrees C. The as-prepared CIT films exhibited an amorphous nature, whereas the RTP-annealed films exhibited a highly crystalline chalcopyrite nature as a function of the growth potential. A red shift was observed in the Raman spectra of the as-deposited films that shifted towards the original position upon annealing. The Cu/In ratio obtained by the EDS analysis was found to decrease systematically upon increasing the growth potential. X-ray photoelectron spectroscopy (XPS) studies revealed the presence of Cu+, Cu2+ satellites, In3+, Te2-, and Te4+ states of Cu, In, and Te. The field emission study showed a maximum current density of 1.74 mA cm(-2), which was attainable at an applied electric field of 1.5 V mu m(-1). The turn-on field was found to be 0.92 V mu m(-1), comparable to that of the carbon nanofibres. The emitter exhibited stable electron emission over a period of 3 hours. The faceted CIT nanorods with columnar growth are a potential candidate for application as an electron source, and herein, the field emission of CIT nanorods is reported for the first time.}, doi = {10.1039/c7nj04773h}, author = {Lakhe, Manorama G. and Joshi, Padmshree and Choudhary, Ram J. and Ganesan, V. and Joag, Dilip S. and Chaure, Nandu B.} } @article {44465, title = {Electron transfer rate analysis of a site-specifically wired copper oxidase}, journal = {Physical Chemistry Chemical Physics}, volume = {20}, year = {2018}, month = {MAR}, pages = {6159-6166}, abstract = {Electron transfer kinetic parameters of site-specifically wired copper oxidase were investigated. The enzyme{\textquoteright}s orientation towards the electrode was controlled by incorporation of propargyl-L-lysine as a site-specific anchoring point. Herein, we demonstrate the importance of immobilization orientation and how it affects electron transfer efficiency and kinetics to each of the enzyme{\textquoteright}s two active sites.}, doi = {10.1039/c8cp00041g}, author = {Schlesinger, Orr and Pasi, Mor and Dandela, Rambabu and Meijler, Michael M. and Alfonta, Lital} } @conference {44661, title = {Electronic structure of Gd based transition metal antimonides GdTSb (T = Ni, Pt)}, booktitle = {2nd International Conference on Condensed Matter and Applied Physics (ICC-2017)}, year = {2018}, month = {NOV}, publisher = {Govt Engn Coll Bikaner; DST; DAE BRNS}, organization = {Govt Engn Coll Bikaner; DST; DAE BRNS}, address = {2 Huntington Quadrangles, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {
We report the electronic and magnetic properties of ternary GdNiSb and GdPtSb compounds with cubic MgAgAs type structure. The energy bands, density of states and atom specific magnetic moments of compounds have been computed using GGA+U approach. The calculations predict that GdNiSb is a small band gap semiconductor whereas GdPtSb is metallic in nature.
}, isbn = {978-0-7354-1648-2}, doi = {10.1063/1.5033035}, author = {Sahariya, Jagrati and Kumar, Pancham and Bhamu, K. C. and Soni, Amit}, editor = {Shekhawat, MS and Bhardwaj, S and Suthar, B} } @article {44200, title = {Electrospinning of non-ionic cellulose ethers/polyvinyl alcohol nanofibers: characterization and applications}, journal = {Carbohydrate Polymers}, volume = {181}, year = {2018}, month = {FEB }, pages = {175-182}, type = {Article}, abstract = {
The morphology of spin-coated films and electrospun fibers of ethyl hydroxy ethyl cellulose (EHEC), hydrophobically modified ethyl hydroxy ethyl cellulose (HM-EHEC) and their blends with Poly(vinyl alcohol) (PVA) was examined by AFM, SEM and contact angle measurements. These polysaccharides upon blending with PVA exhibited smooth surface which was evidenced by Atomic Force Microscopy (AFM) observation. The electrospinnability of above polysaccharides with PVA was demonstrated for the first time. The oriented fibers could be obtained using a rotating disc collector. Contact angles of spin-coated films and electrospun fibers were discussed in terms of hydrophobicity and wetting characteristics. Further, The nanofibers of EHEC/PVA were in-situ crosslinked using citric acid and were used for controlled release of an antibacterial drug, Chlorhexidine Digluconate (ChD). In-vitro studies of cytotoxicity, cell growth and cell proliferation were performed using L929 mouse fibroblast cells. These nanofiber mats show potential in drug delivery and as scaffolds in tissue engineering applications.
}, keywords = {cellulose, drug delivery, electrospinning, Ethyl hydroxy ethyl cellulose, Hydrophobically modified ethyl hydroxy ethyl, scaffold, Spin coating}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2017.10.070}, author = {Wali, Ashwini and Zhang, Yucheng and Sengupta, Poulomi and Higaki, Yuji and Takahara, Atsushi and Badiger, Manohar V.} } @article {45494, title = {Elucidating efficacy of biomass derived nanocomposites in water and wastewater treatment}, journal = {Journal of environmental management }, volume = {226}, year = {2018}, month = {NOV}, pages = { 95-105}, type = {Article }, abstract = {In the present study, two synthesis methods of nanocomposites-one involving a mixture of biomass and the other using chemical modification were investigated to evaluate practical application of green approach in pollution control, specifically for water and wastewater treatment. Newer multifunctional superparamagnetic nanocomposites using biomaterials such as unripened fruit of Cassia fistula (Golden shower) and Aloe vera were developed as an example of green approach while chemical modification was illustrated using n-octanol. Two specific model applications were studied for the developed materials-dye removal (Methyl Blue and Congo Red) and disinfection-demonstrating antimicrobial property. To elucidate the multifunctional character, the texture, morphology and composition of the prepared bionanocomposites were studied. The surface area values were 6.2 and 9.8 m(2)/g for Aloe vera and octanol based nanocomposites while the average pore diameters were 1.79 nm and 5.7 nm respectively, indicating presence of highly developed micropores in the first material having a honeycomb shape and the later showing excellent staircase type formation with larger pores. A very high dye removal to the extent of 100\% was obtained that can be attributed largely to the functionalities imparted from Cassia fistula compared to ingredients from Aloe vera and octanol. The nanomaterials could be completely separated with absolute ease by applying simple magnetic field. Also, successful application of the developed materials in disinfection, removal of E. coif, was demonstrated with a very high efficiency of over 95\%. The biomass derived nanocomposites exhibit excellent pollutant removal and disinfection properties, even at very low nanoparticle content; octanol based material indicating similar to 5 times lowered cost, while the Aloe vera based bionanocomposites have potential for cost reduction to the extent of 10 times as compared to only magnetite nanoparticles, thereby highlighting techno-economical alternative in water and wastewater treatment.}, issn = { 0301-4797}, doi = {10.1016/j.jenvman.2018.08.028}, author = {Kirti, Saumaya and Bhandari, Vinay M. and Jena, Jyotsnarani and Bhattacharyya, Arnab S} } @article {45358, title = {Employing arynes for the generation of aryl anion equivalents and subsequent reaction with aldehydes}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {SEP}, pages = {11333-11340}, type = {Article}, abstract = {
Arynes are highly reactive intermediates, which are utilized for the electrophilic arylation of various X-H bonds (X = O, N, S etc.). Herein, a new synthetic strategy is demonstrated, where arynes are converted into aryl anion equivalents by treatment with phosphines and a base. The addition of phosphines to arynes form the phosphonium salts, which in the presence of a carbonate base generates the aryl anion equivalent. Subsequent addition of the aryl anions with aldehydes afforded the secondary alcohols.
}, doi = {10.1021/acs.joc.8b01549}, author = {Gaykar, Rahul N. and Bhunia, Anup and Biju, Akkattu T.} } @article {45481, title = {Enantioselective N-heterocyclic carbene-catalyzed cascade reaction for the synthesis of pyrroloquinolines via N-H functionalization of indoles}, journal = {Organic letters }, volume = {20}, year = {2018}, month = {NOV}, pages = {6998-7002}, type = {Article }, abstract = {Functionalization of the indole N-H bond for enantioselective synthesis of biologically important pyrroloquinoline derivatives has been reported under oxidative N-heterocyclic carbene catalysis conditions. The interception of catalytically generated chiral alpha,beta-unsaturated acylazoliums with the indole derivatives proceeds in an aza-Michael/Michael/lactonization sequence to deliver the pyrroloquinoline derivatives in good yields, diastereoselectivities, and enantioselectivities. The simultaneous enhancement of reactivity and selectivity observed in polar aprotic solvents is noteworthy.}, issn = {1523-7060}, doi = { 10.1021/acs.orglett.8b02820}, author = {Mukherjee, Subrata and Shee, Sayan and Poisson, Thomas and Besset, Tatiana and Biju, Akkattu T.} } @article {45450, title = { Enhanced activity of Withania somnifera family-1 glycosyltransferase (UGT73A16) via mutagenesis}, journal = {World Journal Of Microbiology \& Biotechnology}, volume = {34}, year = {2018}, month = {OCT}, type = {Article }, abstract = {This work used an approach of enzyme engineering towards the improved production of baicalin as well as alteration of acceptor and donor substrate preferences in UGT73A16. The 3D model of Withania somnifera family-1 glycosyltransferase (UGT73A16) was constructed based on the known crystal structures of plant UGTs. Structural and functional properties of UGT73A16 were investigated using docking and mutagenesis. The docking studies were performed to understand the key residues involved in substrate recognition. In the molecular model of UGT73A16, substrates binding pockets are located between N- and C-terminal domains. Modeled UGT73A16 was docked with UDP-glucose, UDP-glucuronic acid (UDPGA), kaempferol, isorhamnetin, 3-hydroxy flavones, naringenin, genistein and baicalein. The protein-ligand interactions showed that His 16, Asp 246, Lys 255, Ala 337, Gln 339, Val 340, Asn 358 and Glu 362 amino acid residues may be important for catalytic activity. The kinetic parameters indicated that mutants A337C and Q339A exhibited 2-3 fold and 6-7 fold more catalytic efficiency, respectively than wild type, and shifted the sugar donor specificity from UDP-glucose to UDPGA. The mutant Q379H displayed large loss of activity with UDP-glucose and UDPGA strongly suggested that last amino acid residue of PSPG box is important for glucuronosylation and glucosylation and highly specific to sugar binding sites. The information obtained from docking and mutational studies could be beneficial in future to engineer this biocatalyst for development of better ones.}, issn = { 0959-3993}, doi = {10.1007/s11274-018-2534-4}, author = {Singh, Somesh and Patel, Krunal A. and Sonawane, Prashant D. and Vishwakarma, Rishi K. and Khan, Bashir M.} } @article {44223, title = {Enhanced and synergistic downregulation of oncogenic miRNAs by self-assembled branched DNA}, journal = {Nanoscale}, volume = {10}, year = {2018}, month = {JAN}, pages = {195-202}, type = {Article}, abstract = {
miRNAs, a group of small non-coding RNA molecules, regulate the expression of many genes involved in various cellular processes. Acute evidence suggests that one miRNA can regulate many genes as its targets, while one gene can be targeted by many miRNAs that co-operatively regulate the gene. Thus, targeting a single miRNA is not sufficient enough to rescue the disease phenotype but it is also essential to target multiple miRNAs simultaneously. This inspired us to design a novel DNA nanostructure that can concurrently downregulate multiple oncomiRNAs. Here we designed a programmable antimiR branched DNA (antimiR-bDNA) nanostructure having antimiRNAs for selective binding to oncomiRNAs miRNA-27a, 96 and 182 which collectively downregulate FOXO1a expression. The antimiR-bDNAs show enhanced stability compared to naked antimiRNAs in serum and are able to knockdown these miRNAs with up to similar to 50\% greater repression as compared to antimiRNAs. This synergistic miRNA repression leads to the restoration of FOXO1a protein levels which in turn inhibit G1-S traversion in cancer cells. To the best of our knowledge, this is the first study harnessing the ability of bDNA structures to silence multiple miRNAs simultaneously.
}, issn = {2040-3364}, doi = {10.1039/c7nr06601e}, author = {Nahar, S. and Nayak, A. K. and Ghosh, A. and Subudhi, U. and Maiti, S.} } @article {45439, title = { Enhanced microwave absorption property of reduced graphene oxide (RGO)-strontium hexaferrite (SF)/poly (vinylidene) fluoride (PVDF)}, journal = {Dimond and Related Materials}, volume = {89}, year = {2018}, month = {OCT}, pages = {28-34}, type = {Article}, abstract = {Enormous growth in the use of electronic gadgets presents a challenge to develop efficient electromagnetic interference (EMI) shielding materials specifically using composites with properties such as light weight and high shielding due to absorption. In the present work we have synthesized a composite material with three components; Reduced Graphene Oxide (RGO) and Strontium Hexaferrite (SrFe12O19) (SF) bound together by polymer Poly (Vinylidene) Fluoride (PVDF). Composite RGO/SF (RGOSF) was prepared by facile one port chemical reduction method. Surface anchoring of similar to 500 nm of magnetic particles over the graphene sheet was confirmed by Field Emission Scanning Electron Microscopy (FESEM) and Transmission Electron Microscopy (TEM). Crystal structure of SF particles was analyzed before and after composite formation with RGO. Effective crystallite size was estimated from both XRD and Raman Spectroscopy which showed similar trend moving from SF to RGOSF to RGOSFPVDF. Polymer composite films of RGOSFPVDF were prepared by hot pressing. Both real and imaginary part of magnetic and dielectric parameters were studied. It was observed that enhancement of interfacial polarization and anisotropic heat loss in PVDF matrix was generated by RGOSF which ultimately created more scattering center and helped in absorption of electromagnetic radiation. Critical film thickness of 3 mm was capable to shield up to 33 dB EM energy of which > 99.9\% was due to absorption.}, issn = { 0925-9635}, doi = {10.1016/j.diamond.2018.07.024}, author = {Acharya, Sanghamitra and Gopinath, Chinnakonda S. and Alegaonkar, Prashant and Datar, Suwarna} } @article {45419, title = { Enhanced selectivity of 3-D ordered macroporous Pt/Al2O3 catalysts in nitrites removal from water}, journal = {Applied Catalysis A-General}, volume = {564}, year = {2018}, month = {AUG}, pages = {26-32}, type = {Article}, abstract = {Tailored macroporous mesoporous alumina supports have been successfully prepared using a single hard templating approach. Pt nanoparticles, showing similar physico-chemical properties, were homogeneously dispersed throughout the different alumina frameworks as catalytic active phase for drinking water treatment. We demonstrated that careful modification of pore properties of the catalyst (size and connectivity) by pseudomorphic transformation can strongly modulate the reaction rate and selectivity through the limited access to Pt active sites within the alumina porous particles. Specifically, 3-D Ordered Macroporous Pt-Al2O3 catalysts with a high degree of interconnectivity yield to superior catalytic properties (enhanced activity and selectivity) over pure mesoporous counterparts in the hydrogenation of nitrites in water. We found that large pores (240 nm) interconnected with windows (110 nm) alleviate mass transfer limitations and clearly improve NZ selectivity. The findings of this study further suggest the possibility of engineering the pore architecture of the support to fine tune the selectivity for a particular reaction rather than investigating more on tuning the properties of the costly active metallic phase.}, doi = {10.1016/j.apcata.2018.07.014}, author = {Sekhar, A. C. Sunil and Zaki, A. and Troncea, S. and Casale, S. and Vinod, C. P. and Dacquin, J. P. and Granger, P.} } @article {44202, title = {Enhanced strain sensitivity in magnetostrictive spinel ferrite Co1-xZnxFe2O}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {447}, year = {2018}, month = {FEB}, pages = {150-154}, type = {Article}, abstract = {
We report the magnetic and magnetoelastic properties of spinel oxide system Co1-xZnxFe2O4 (CZF series) where x = 0.0, 0.1, 0.2, 0.3, 0.4, and 0.5. All the composition were prepared by conventional solid state synthesis method and exhibited pure spinel phase formation. The lattice parameters showed gradual increase indicating uniform distribution Zn ions in cobalt ferrite lattice. The magnetic properties such as saturation magnetization and coercive field were drastically affected with Zn substitution showing enhanced saturation magnetization and a sharp decrease in the coercivity. The room temperature magnetostrictive properties showed a promising 30\% enhancement in the slope of magnetostriction curve for x = 0.2 composition and a reasonable magnetostrictive strain of 110 ppm indicating its suitability as a promising magnetostrictive material. (c) 2017 Elsevier B.V. All rights reserved.
}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2017.09.075}, author = {Bhame, Shekhar D. and Joy, P. A.} } @article {45542, title = {Enhancement of field electron emission in topological insulator Bi2Se3 by Ni doping}, journal = {Physical Chemistry Chemical Physics}, volume = {20}, year = {2018}, month = {JUN}, pages = {18429-18435}, type = {Article}, abstract = {Nanostructures of bismuth selenide (Bi2Se3), a 3D topological insulator material, and nickel (Ni) doped Bi2Se3 samples were prepared by a hydrothermal method to explore the field emission properties. An enrichment in the field electron emission (FE) properties in terms of the threshold and turn-on field values of Bi2Se3 and Ni doped Bi2Se3 nanostructures was measured at a base pressure of \~{}1 {\texttimes} 10-8 mbar. Using the background of the Fowler{\textendash}Nordheim (FN) theory a field enhancement factor (β) of 5.7 {\texttimes} 103 and a threshold field value of 2.5 V μm-1 for 7.5\% Ni doped Bi2Se3 were determined by investigating the J{\textendash}E plot of the FE data. The value of β is three times higher than that of pure Bi2Se3 confirming the superior FE properties. The emission current was found to be very stable with the property of long standing durability as a negligible amount of variation was observed when measured at a constant value of 5 mA for 3 hours. The experimental results signify many opportunities for potential applications of Ni doped Bi2Se3 as a source of electrons in scanning as well as transmission electron microscopy, flat panel displays and as an X-ray generator, etc.}, doi = {10.1039/c8cp01982g}, author = {Mazumder, K. and Sharma, A. and Kumar, Y. and Bankar, P. and More, M. A. and Devan, R. and Shirage, P. M.} } @article {45448, title = {Entacapone: improving aqueous solubility, diffusion permeability, and cocrystal stability with theophylline}, journal = {Crystal Growth \& Design}, volume = {18}, year = {2018}, month = {OCT}, pages = {6061-6069}, type = {Article}, abstract = {Cocrystallization is a well-established technique to improve the solubility, bioavailability, and stability of active pharmaceutical ingredients (APIs) but permeability and diffusion rate control via cocrystals is relatively less well studied, and the exact role of coformers in influencing the diffusion rate of drug cocrystals is still not fully understood. The aqueous solubility and permeability diffusion of Entacapone, ETP, a Biopharmaceutical Classification System (BCS) Class IV drug of low solubility and low permeability, with Generally Regarded as Safe (GRAS) coformers has been studied. Fixed stoichiometry cocrystals of ETP with acetamide (ACT, 1:1), nicotinamide (NAM, 1:1), isonicotinamide (INAM, 1:1), pyrazinamide (PYZ, 1:1), and isoniazid (INZ), 1:1) were prepared by solvent-assisted grinding. Theophylline (THP) resulted in a cocrystal hydrate (ETP-THP-FIYD 1:1:1). The cocrystals were structurally characterized by single crystal and powder X-ray diffraction, DSC and TGA thermal measurements, and IR and NMR spectroscopy. Solubility and dissolution rate showed that there is a correlation between cocrystal stability and solubility governed by the heteromeric N-H center dot center dot center dot O, O-H center dot center dot center dot N, and O-H center dot center dot center dot O hydrogen bonds and conformational changes of ETP in cocrystal structures. ETP-THP-HYD and ETP-PYZ exhibit faster dissolution rate and high solubility and they are stable in phosphate buffer medium compared to the other cocrystals which dissociate partially during solubility experiments. Diffusion rates in a Franz cell showed that the stable and high solubility ETP-THP-HYD cocrystal has good permeability. Given that stability, solubility, and permeability are in general inversely correlated, the entacapone-theophylline hydrate cocrystal is a unique example of the thermodynamically stable cocrystal exhibiting high solubility and high permeability.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b00921}, author = {Bommaka, Manish Kumar and Mannava, M. K. Chaitanya and Suresh, Kuthuru and Gunnam, Anilkumar and Nangia, Ashwini} } @article {44395, title = {Enthalpic interactions in aqueous strong electrolytes upon addition of ionic liquids}, journal = {Physical Chemistry Chemical Physics}, volume = {20}, year = {2018}, month = {APR}, pages = {11089-11099}, abstract = {The present study deals with the inter-ionic interactions between strong electrolytes and ionic liquids based on the thermodynamic properties such as excess partial molar enthalpy, H-IL(E), relative apparent molar enthalpy, phi(L), and the enthalpic interaction parameters. The thermodynamic properties of the systems are the key indicators to understand the interionic interactions. We have conducted a systematic investigation of the enthalpic behavior of aqueous solution of salts and ionic liquids and their mixtures. The present study also emphasizes how the H-IL(E) values for the mixture of aqueous solution of ionic liquids and salts deviate from linearity as compared to those of the constituent aqueous ionic liquid or salt. This deviation from linearity for the H-IL(E) values has been discussed here.}, doi = {10.1039/c7cp07814e}, author = {Jain, Preeti and Kumar, Anil} } @article {44466, title = {Environmental impact study of bagasse valorization routes}, journal = {Waste and Biomass Valorization}, volume = {10}, year = {2018}, month = {JAN}, pages = {2067-2078}, type = {Article}, abstract = {India is the world{\textquoteright}s second largest sugarcane producer and a major manufacturer of molasses-derived ethanol. The sugarcane produced is widely used in the production of sugar and 1G ethanol. Though sugar and 1G ethanol are the major concerns, there is still a huge amount of bagasse waste generated in the sugar factories. This bagasse has also some end use value, as it can be utilized for production of methanol, 2G ethanol and electricity. Even though the technology for production of these value added products is well established, it is important to analyze the social, economical and environmental impacts associated with these production processes. This work compares the environmental impacts of various sugarcane conversion processes on life cycle basis. The functional unit used is one tonne of sugarcane cultivated in field. Four routes identified for bagasse conversion- conversion of bagasse to methanol (Route 1), conversion of bagasse to ethanol via 2 stage dilute acid process (Route 2), conversion of bagasse to ethanol via enzymatic process (Route 3) and electricity production from bagasse (Route 4). On comparison of these routes on midpoint indicators such as global warming potential (GWP), acidification potential (AP), eutrophication potential (EP) and ozone depletion potential (ODP) and photochemical ozone creation potential (POCP), it is observed that the methanol production is having the highest environmental indicator values. Even though ethanol production processes and cogeneration process are having nearly similar results, it can be said that cogeneration process is the more eco-friendly one.}, keywords = {Bagasse valorization, Environmental impact, LCA, Midpoint indicators}, issn = {1877-2641}, doi = {10.1007/s12649-018-0198-9}, author = {Mandavgane, Sachin Arvind and Joglekar, Saurabh and Tandulje, Akshay P. and Kulkarni, Bhaskar D.} } @article {44469, title = {Enzymatic formation of a skipped methyl-substituted octaprenyl side chain of longestin (KS-505a): involvement of homo-IPP as a common extender unit}, journal = {Angewandte Chemie}, volume = {57}, year = {2018}, month = {MAY}, pages = {6629-6632}, type = {Article}, abstract = {
Longestin (KS-505a), a specific inhibitor of phosphodiesterase, is a meroterpenoid that consists of a unique octacyclic terpene skeleton with branched methyl groups at unusual positions (C1 and C12). The biochemical analysis of Lon23, a methyltransferase involved in the biosynthesis of longestin, demonstrated that methylation of IPP afforded 3Z-3-methyl IPP. This compound as well as IPP was selectively accepted as extender units by Lon22, a geranylgeranyl diphosphate (GGPP) synthase homolog, to yield dimethylated GGPP (dmGGPP). Absolute configuration of dmGGPP was determined to be (4R, 12R) by degradation and chiral GC analysis. These findings led us to propose key steps of the biosynthetic pathway of the unusual homoterpenoid longestin.
}, doi = {10.1002/ange.201802116}, author = {Taro Ozaki and Shinde, Sandip S. and Gao, Lei and Okuizumi, Ryo and Liu, Chengwei and Ogasawara, Yasushi and Lei, Xiaoguang and Dairi, Tohru and Minami, Atsushi and Oikawa, Hideaki} } @article {44203, title = {Eosin Y photoredox catalyzed net redox neutral reaction for regiospecific annulation to 3-sulfonylindoles via anion oxidation of sodium sulfinate salts}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {JAN}, pages = {536-540}, type = {Article}, abstract = {
An eosin Y photoredox catalyzed net redox neutral process for 3-sulfonylindoles via the anionic oxidation of sodium sulfinate salts and its radical cascade cyclization with 2-alkynyl-azidoarenes was developed with visible light as a mediator. The reaction offers metal and oxidant/reductant free, visible light mediated vicinal sulfonamination of alkynes to 2-aryl/alkyl-3-sulfonylindoles and proceeds via the generation of a sulfur-centered radical through direct oxidation of the sulfinate anion by an excited photocatalyst with a reductive quenching cycle. The mild conditions, use of an organic dye as photo-catalyst, bench stability and easily accessible starting materials make the present approach green and attractive.
}, issn = {1477-0520}, doi = {10.1039/c7ob02977b}, author = {Rohokale, Rajendra S. and Tambe, Shrikant D. and Kshirsagar, Umesh A.} } @article {44221, title = {Epoxyazadiradione suppresses breast tumor growth through mitochondrial depolarization and caspase-dependent apoptosis by targeting PI3K/Akt pathway}, journal = {BMC Cancer}, volume = {18}, year = {2018}, month = {JAN}, pages = {52}, type = {Article}, abstract = {
Background: Breast cancer is one of the most commonly diagnosed invasive cancers among women around the world. Among several subtypes, triple negative breast cancer (TNBC) is highly aggressive and chemoresistant. Treatment of TNBC patients has been challenging due to heterogeneity and devoid of well-defined molecular targets. Thus, identification of novel effective and selective agents against TNBC is essential. Methods: We used epoxyazadiradione to assess the cell viability, mitochondrial potential, ROS level, cell migration, apoptosis and protein expression in cell culture models of TNBC MDA-MB-231 and ER+MCF-7 breast cancer cells. The molecular mechanism was examined in two different type of breast cancer cells in response to epoxyazadiradione. We have also analyzed the effect of epoxyazadiradione on breast tumor growth using in vivo mice model. Results: In this study, we for the first time investigated that out of 10 major limonoids isolated from Azadirachta indica, epoxyazadiradione exhibits most potent anti-cancer activity in both TNBC and ER+breast cancer cells. Epoxyazadiradione induces apoptosis and inhibits PI3K/Akt-mediated mitochondrial potential, cell viability, migration and angiogenesis. It also inhibits the expression of pro-angiogenic and pro-metastatic genes such as Cox2, OPN, VEGF and MMP-9 in these cells. Furthermore, epoxyazadiradione attenuates PI3K/Akt- mediated AP-1 activation. Our in vivo data revealed that epoxyazadiradione suppresses breast tumor growth and angiogenesis in orthotopic NOD/SCID mice model. Conclusion: Our findings demonstrate that epoxyazadiradione inhibits PI3K/Akt-dependent mitochondrial depolarisation, induces apoptosis and attenuates cell migration, angiogenesis and breast tumor growth suggesting that this compound may act as a potent therapeutic agent for the management of breast cancer.
}, keywords = {Angiogenesis, Apoptosis, Breast cancer, Limonoids, Metastasis, PI3K}, issn = {1471-2407}, doi = {10.1186/s12885-017-3876-2}, author = {Kumar, Dhiraj and Haldar, Saikat and Gorain, Mahadeo and Kumar, Santosh and Mulani, Fayaj A. and Yadav, Amit S. and Miele, Lucio and Thulasiram, Hirekodathakallu V. and Kundu, Gopal C.} } @article {43992, title = {Erratum to: catalyst-free oxidation of sulfides to sulfoxides and diethylamine catalyzed oxidation of sulfides to sulfones using oxone as an oxidant}, journal = {Research on Chemical Intermediates}, volume = {44}, year = {2018}, month = {FEB}, pages = {1437{\textendash}1437}, type = {Journal Article}, abstract = {
We describe here our journey from the failure of our attempts in controlled oxidation of sulfides to sulfoxides using an Oxone{\textregistered}{\textendash}KBr combination to our success in the development of a catalyst-free protocol for the oxidation of sulfides to sulfoxides using Oxone as an oxidant. We also describe the failure of our attempts at the oxidation of sulfides to sulfones using an excess of Oxone{\textendash}KBr as well as Oxone, and our success towards the development of a rapid, scalable and chromatography-free protocol for the oxidation of sulfides to sulfones using diethylamine{\textendash}Oxone as an unprecedented catalyst{\textendash}oxidant combination.
}, keywords = {diethylamine, organocatalysis, Oxidation, Oxone, Sulfones, Sulfoxides}, doi = {10.1007/s11164-017-3137-7}, author = {Kupwade, R. V.}, editor = {Khot, S. S.} } @article {44470, title = {Ethoxy-ester functionalized imidazolium based ionic liquids for lithium ion batteries }, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUN}, pages = {6255-6261}, abstract = {Ethoxy ester functionalized imidazolium and bis(tri fluoromethanesulfonyl)imide based ionic liquids (ILs) are synthesized and considered as electrolyte for lithium ion batteries. The series of ethoxy ester functionalized ionic liquids were chosen with increase in ethoxy unit from one to three, followed by polymeric units. These ionic liquids provide both ester and ethoxy groups as interaction sites for Li+ ions enhancing the Li+ ion transportation, resulting in ionic conductivity of 10(-3) Scm(-1) at 25 degrees C, which is of 10(3) factor higher than ethoxy containing polyethylene oxide solid polymer electrolyte. It{\textquoteright}s noteworthy that the conductivity increases as ethoxy units are increased from one to three units, followed by a decrease for the polymeric ethoxy unit. Electrochemical stability window of these ionic liquids improves as the ethoxy groups are added to imidazolium cation. The Li/LiFePO4 cell fabricated with [ME(3)AMIm][TFSI] electrolyte shows good initial discharge capacity of 98.5 mAhg(-1) at 0.05 C-rate at room temperature, which gradually decreases with cycling. Systematic investigation of electrode surfaces by using SEM and EDX shows deposition of passivation layers on their surfaces. Ionic liquids fabricated by this facile method provide a promising model system for understanding the molecular interactions in promoting the lithium-ion conduction mechanism. The advantages and the limits associated to series of ionic liquid electrolytes are critically investigated.}, doi = {10.1002/slct.201800513}, author = {Nirmale, Trupti and Khupse, Nageshwar and Gore, Rohitkumar and Ambekar, Jalindar and Kulkarni, Milind and Varma, Anjanikumar and Kale, Bharat} } @article {45352, title = {Evaluating antimalarial efficacy by tracking glycolysis in Plasmodium falciparum using NMR spectroscopy}, journal = {Scientific Reports}, volume = { 8}, year = {2018}, month = {DEC}, type = {Article}, abstract = {Glucose is an essential nutrient for Plasmodium falciparum and robust glycolytic activity is indicative of viable parasites. Using NMR spectroscopy, we show that P. falciparum infected erythrocytes consume similar to 20 times more glucose, and trophozoites metabolize similar to 6 times more glucose than ring stage parasites. The glycolytic activity, and hence parasite viability, can be measured within a period of 2 h to 5 h, using this method. This facilitates antimalarial bioactivity screening on ring and trophozoite stage parasites, exclusively. We demonstrate this using potent and mechanistically distinct antimalarial compounds such as chloroquine, atovaquone, cladosporin, DDD107498 and artemisinin. Our findings indicate that ring stage parasites are inherently more tolerant to antimalarial inhibitors, a feature which may facilitate emergence of drug resistance. Thus, there is a need to discover novel antimalarial compounds, which are potent and fast acting against ring stage parasites. The NMR method reported here can facilitate the identification of such molecules.}, issn = {2045-2322}, doi = {10.1038/s41598-018-36197-3}, author = {Shivapurkar, Rupali and Hingamire, Tejashri and Kulkarni, Akshay S. and Rajamohanan, P. R. and Reddy, D. Srinivasa and Shanmugam, Dhanasekaran} } @article {44471, title = {Evaluation of Candida tropicalis (NCIM 3321) extracellular phytase having plant growth promoting potential and process development}, journal = {Biocatalysis and Agricultural Biotechnology}, volume = {13}, year = {2018}, month = {JAN}, abstract = {
Phytase is known to provide a solution for depletion of phosphorus (P). It helps it by hydrolyzing the insoluble P source in soil which is phytate. In this study, provides insight on yeast Candida tropicalis (NCIM 3321) which produces cell bound and extracellular thermostable phytase. The media components were optimized to enhance the enzyme production and checked for plant growth promoting activity. On optimization the isolate exhibited enhanced cell bound and extracellular phytase activity by four folds (from 236 to 1024 IU DCG$^{-}${\textonesuperior}) and by five folds (from 0.46 to 1.95 IU ml$^{-}${\textonesuperior}) respectively in 36 h. The production time decreased to 24 h compare to shake flask on Up-scaling the production process upto 10 L scale, thus increasing the productivity of cell bound (1810 IU DCG$^{-}${\textonesuperior}day$^{-}${\textonesuperior}) and extracellular phytase (6.08 IU ml$^{-}${\textonesuperior} day$^{-}${\textonesuperior}). The crude phytase (12 IU) from NCIM 3321 strain was studied for plant growth promotion activity in lab scale and field level experiments with maize crop. Findings of the study revealed that the extracellular phytase derived from non pathogenic C. tropicalis (NCIM 3321) was found to be plant growth stimulating by increasing the available P in soil. Our findings of phytase isolated from non-pathogenic yeast C. tropicalis NCIM 3321 exhibited dephytinization potential. Therefore, current study may have profound application in sustainable agriculture.
}, doi = {10.1016/j.bcab.2017.12.013}, author = {Puppala, Kumar Raja and Naik, Tejali and Shaik, Alfina and Dastager, Syed and Kumar, V. Ravi and Khire, Jayant and Dharne, Mahesh} } @article {45492, title = {Evaluation of humidity sensor based on PVP-RGO nanocomposites}, journal = {IEEE sensors journal }, volume = {18}, year = {2018}, month = {NOV}, pages = {9097-9104}, type = {Article }, abstract = {
his paper describes the humidity sensing properties of one step in situ synthesized poly (N-vinyl pyrrolidone)- reduced graphene oxide (PVP-RGO) nanocomposites. Different PVP-RGO nanocomposites were obtained by varying PVP/GO weight \%ratio as x/50 mg, wherein x = 25, 50, and 75 mg, respectively. The real-time adsorption kinetics of the water molecules during the humidity sensing were also discussed using Elovich model, pseudo first and second order equations. The increase in humidity response of 1.5 PVP-RGO nanocomposite is attributed to the presence of large amount of oxygen functionalities. The above observation was corroborated using spectroscopic analysis. The optimized PVP-RGO nanocomposite showed faster response kinetics with response and recovery times of 10 and 20 s, respectively. The present humidity sensor shows remarkable linearity over the range of 20-90\%RH. More specifically, sensitivity was correlated with oxygen functionalities created due to variation of PVP during the functionalization of RGO nanosheets.
}, issn = { 1530-437X}, doi = {10.1109/JSEN.2018.2870324}, author = {Bhangare, Bhagyashri and Jagtap, Shweta and Ramgir, Niranjan and Waichal, Rupali and Muthe, K. P. and Gupta, S. K. and Gadkari, Sanjay C. and Aswal, D. K. and Gosavi, Suresh} } @article {45464, title = {Evolutionary perspectives of genotype-phenotype factors in leishmania metabolism}, journal = {Journal of Molecular Evolution}, volume = {86}, year = {2018}, month = {AUG}, pages = {443-456}, type = {Article}, abstract = {
The sandfly midgut and the human macrophage phagolysosome provide antagonistic metabolic niches for the endoparasite Leishmania to survive and populate. Although these environments fluctuate across developmental stages, the relative changes in both these environments across parasite generations might remain gradual. Such environmental restrictions might endow parasite metabolism with a choice of specific genotypic and phenotypic factors that can constrain enzyme evolution for successful adaptation to the host. With respect to the available cellular information for Leishmania species, for the first time, we measure the relative contribution of eight inter-correlated predictors related to codon usage, GC content, gene expression, gene length, multi-functionality, and flux-coupling potential of an enzyme on the evolutionary rates of singleton metabolic genes and further compare their effects across three Leishmania species. Our analysis reveals that codon adaptation, multi-functionality, and flux-coupling potential of an enzyme are independent contributors of enzyme evolutionary rates, which can together explain a large variation in enzyme evolutionary rates across species. We also hypothesize that a species-specific occurrence of duplicated genes in novel subcellular locations can create new flux routes through certain singleton flux-coupled enzymes, thereby constraining their evolution. A cross-species comparison revealed both common and species-specific genes whose evolutionary divergence was constrained by multiple independent factors. Out of these, previously known pharmacological targets and virulence factors in Leishmania were identified, suggesting their evolutionary reasons for being important survival factors to the parasite. All these results provide a fundamental understanding of the factors underlying adaptive strategies of the parasite, which can be further targeted.
}, keywords = {Codon usage, Evolutionary rate variation, Leishmania metabolism, Multi-functionality, Physiological fluxcoupling, Principal component regression (PCR)}, issn = {0022-2844}, doi = {10.1007/s00239-018-9857-5}, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article {44243, title = {Excited state intramolecular proton transfer in 1,8-Dihydroxy-9,10-anthraquinone dye: Revealing microstructures in [C(n)mIm][NTf2] and [C(n)mIm][BF4] series of ionic liquid solvents}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {350}, year = {2018}, month = {JAN }, pages = {111-121}, type = {Article}, abstract = {
Excited state intramolecular proton transfer (ESIPT) in 18-dihydroxy-9,10-anthraquinone (18DHAQ) dye has been investigated in two series of 1-alkyl-3-methylimidazolium ([C(n)mIm](+)) based ionic liquid (IL) solvents, [C(n)mlm][NTf2] and [C(n)mlm][BF4], with n = 2, 4, 6, 8 and 10, using steady-state (SS) and time resolved (TR) fluorescence studies. In both the IL series, fluorescence intensity for tautomer (T*) form gradually decreases relative to normal (N*) form with increasing n value for [C(n)mlm](+) cations. Observed results suggest microstructure formation and its consequent effect on the ESIPT process of the dye in these IL solvents. Since more extensive microstructures are likely with larger n values of [C(n)mIm](+) cations, the dye is expectedly solubilized more in the polar microdomains of the solvent microstructures, resulting better stabilization for the more dipolar N* state and hence a higher emission intensity from this state. This proposition is clearly supported by ultrafast (sub-picosecond) fluorescence kinetics for both N* and T* states, though sub-nanosecond TR results indicate very similar fluoresce decays for both N* and T*, suggesting an eventual kinetic equilibrium between two states subsequent to the initial ultrafast and fast forward and backward ESIPT processes. Small differences between the results in the [C(n)mIm][NTf2] and [C(n)mIm][BE4] series of ILs are attributed to dissimilar size, shape and basicity of [NTf2]- and [BF4]- anions, responsible for some characteristic changes in the microstructures formed in the respective solvent series. To the best of our knowledge, present study is the only report demonstrating modulations in the ESIPT process through microstructure formations in neat [C(n)mIm](+) based IL solvents. (C) 2017 Elsevier B.V. All rights reserved.
}, keywords = {1, 1-Alkyl-3-methylimidazolium ionic liquids, 8-Dihydroxyanthraquinone, Emission modulations of tautomeric forms, ESIPT process, Microstructure formation}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2017.09.073}, author = {Beniwal, Vijay and Kumar, Anil and Pal, Haridas} } @article {45410, title = { Excited-state prototropism of 7-hydroxy-4-methylcoumarin in [C(n)mim][BF4] series of ionic liquid-water mixtures: insights on reverse micelle-like water nanocluster formation}, journal = {Photochemical \& Photobiological Sciences}, volume = {17}, year = {2018}, month = {SEP}, pages = {1256-1266}, type = {Article}, abstract = {This study explores the excited state prototropic behavior of the fluorophore, 7-hydroxy-4-methylcoumarin (7H4MC), in the [C(n)mim][BF4] (n = 2, 4, 6, 8, 10) series of ionic liquid (IL)-water mixtures at low water contents. In pure IL media, 7H4MC exists in the neutral form in both ground and excited states. However, on addition of water to the ILs, the excited neutral form of the dye is gradually converted to the anionic and the tautomeric species, leading to characteristic changes in the emission spectra. The similarity in the spectral features of 7H4MC in the IL-water system with that in a conventional reverse micelle system rather than with organic solvent-water mixtures, suggests that in the presence of water, the ILs are organized into reverse micelle-like structures with the consequent formation of confined water pockets. The results further suggest that formation of water nanoclusters and the ensuing changes in excited state prototropic behavior of the dye, is facilitated by increase in the alkyl chain length of the IL cation. These propositions are supported by time-resolved fluorescence studies. To the best of our knowledge this is the first report on proton transfer reaction in IL-water mixtures at low water contents. Considering that ILs are useful as solvents and surfactants, and IL-water mixtures in particular have applications in chemical extractions and biocatalysis, an understanding of the structural organization and water pool formation in these systems is quite important. The insights obtained from the prototropic transformations of 7H4MC are significant not only for fundamental self-assembly studies, but also for the development of ILs as chemical reaction media.}, doi = {10.1039/c8pp00132d}, author = {Beniwal, Vijay and Kumar, Anil and Pal, Haridas and Choudhury, Sharmistha Dutta} } @article {45405, title = {Experimental and theoretical investigations of different diketopyrrolopyrrole-based polymers}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {SEP}, pages = {11710-11717}, type = {Article}, abstract = {Diketopyrrolopyrrole (DPP)-based polymers are often considered las the most promising donor moiety in traditional bulk heterojunction solar cell devices. In this paper, we report the synthesis, characterization of various DPP-based copolymers with different molecular weights, l and polydisper sity where other aromatic repeating units (phenyl or thiophene based) are connected by alternate double bonds or triple bonds. Some of the copolymers were used for device fabrication and the crucial parameters such as fill factor (FF) and open circuit voltage (V-oc) were calculated. The density functional theory was used to optimize the geometries and deduce highest occupied molecular orbital lowest unoccupied molecular orbital gaps of all the polymers and{\textquoteright}theoretically predict their optical and electronic properties. Optical properties of all the polymers, electrochemical properties and band gaps were also obtained experimentally and compared with the theoretically predicted values.}, doi = {10.1021/acsomega.8b01132}, author = {Murugan, Pachaiyappan and Raghavendra, Venkatraman. and Chithiravel, Sundaresan and Krishnamoorthy, Kothandam and Mandal, Asit Baran and Subramanian, Venkatesan and Samanta, Debasis} } @article {44344, title = { Experimental evidences for existence of varying moieties and functional groups in assorted crop waste derived organosolv lignins}, journal = {Industrial Crops and Products}, volume = {119}, year = {2018}, month = {SEP}, pages = {144-151}, type = {Article}, abstract = {Isolation of organosolv lignins (ORGLs, water:ethanol, 180 degrees C, 1 h, 93 +/- 5\% mass balance) from various lignocellulosic materials like rice husk (RH), wheat straw (WS), bagasse (BG) \& wood chips (WC) was done and experimental evidences are provided to perceive the differences in the structures of isolated lignins. To achieve this on bulk level, lignins were characterized by XRD, GPC, TGA \& elemental analysis and on molecular level using UV-vis, ATR, 1D/2D HSQC NMR techniques. Besides isolated lignins, crop wastes and pulps were also characterized to divulge details on their properties. It was revealed that lignins have varying concentrations of sinapyl (S), coniferyl (G) and p-coumaryl alcohols (H) and tricin (T) moieties. While, Tricin (T) type lignin moieties are observed only in RH and WS derived lignins, RH derived lignin has higher concentration of side chains than other isolated lignins. Additionally, it is discovered that most lignins have G as main moiety.}, doi = {10.1016/j.indcrop.2018.04.002}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {44473, title = {Exploiting functionalities of biomass in nanocomposite development: application in dye removal and disinfection along with process intensification}, journal = {Clean Technologies and Environmental Policy}, volume = {20}, year = {2018}, month = {JUL}, pages = {981-994}, abstract = {A green synthesis of multifunctional superparamagnetic nanocomposites using the whole unripened fruit of Cassia fistula (Golden shower) with potential for removal of both cationic and anionic dyes and antimicrobial property is reported for the first time in the present work. A natural medium in the form of clarified butter was used to enhance the multifunctional character. The surface morphology, textural characteristics and composition of the prepared nanoparticles and composites were studied to understand the multifunctional nature. The dye removal was investigated for four different dyes, namely methyl blue, Congo red, rhodamine-B and auramine. Iron nanoparticles were largely effective in the removal of acidic dyes, while the magnetic nanocomposites were effective for the removal of both acidic and basic dyes which can be attributed to the functionalities imparted from Cassia fistula and clarified butter. The dye removal behavior can be significantly enhanced (similar to 50\%) using process intensification-adsorption coupled with acoustic cavitation, which also indicated a reduced adsorbent loading as compared to the conventional adsorptive dye removal. The nanomaterials were completely separated from dye solution with absolute ease of separation by applying simple magnetic field. Also, the developed materials were useful in disinfection of E. coli with a high efficiency of 90\% confirming significant antimicrobial property at lower concentrations.}, doi = {10.1007/s10098-018-1519-1}, author = {Kirti, Saumaya and Bhandari, Vinay M. and Jena, Jyotsnarani and Sorokhaibam, Laxmi Gayatri and Bhattacharyya, Arnab S.} } @article {44474, title = {Exploring GPCR lipid interactions by molecular dynamics simulations: excitements, challenges, and the way forward}, journal = {Journal of Physical Chemistry B}, volume = {122}, year = {2018}, month = {JUN}, pages = {5727-5737}, abstract = {Gprotein-coupled receptors (GPCRs) are seven transmembrane receptors that mediate a large number of cellular responses and are important drug targets. One of the current challenges in GPCR biology is to analyze the molecular signatures of receptor-lipid interactions and their subsequent effects on GPCR structure, organization, and function. Molecular dynamics simulation studies have been successful in predicting molecular determinants of receptor-lipid interactions. In particular, predicted cholesterol interaction sites appear to correspond well with experimentally determined binding sites and estimated time scales of association. In spite of several success stories, the methodologies in molecular dynamics simulations are still emerging. In this Feature Article, we provide a comprehensive overview of coarse-grain and atomistic molecular dynamics simulations of GPCR-lipid interaction in the context of experimental observations. In addition, we discuss the effect of secondary and tertiary structural constraints in coarse-grain simulations in the context of functional dynamics and structural plasticity of GPCRs. We envision that this comprehensive overview will help resolve differences in computational studies and provide a way forward.}, doi = {10.1021/acs.jpcb.8b01657}, author = {Sengupta, Durba and Prasanna, Xavier and Mohole, Madhura and Chattopadhyay, Amitabha} } @article {45394, title = { Exploring immuno-regulatory mechanisms in the tumor microenvironment: model and design of protocols for cancer remission}, journal = {Plos One}, volume = {13}, year = {2018}, month = {SEP}, type = {Article}, abstract = {The tumor microenvironment comprising of the immune cells and cytokines acts as the {\textquoteright}soil{\textquoteright} that nourishes a developing tumor. Lack of a comprehensive study of the interactions of this tumor microenvironment with the heterogeneous sub-population of tumor cells that arise from the differentiation of Cancer Stem Cells (CSC), i.e. the {\textquoteright}seed{\textquoteright}, has limited our understanding of the development of drug resistance and treatment failures in Cancer. Based on this seed and soil hypothesis, for the very first time, we have captured the concept of CSC differentiation and tumor-immune interaction into a generic model that has been validated with known experimental data. Using this model we report that as the CSC differentiation shifts from symmetric to asymmetric pattern, resistant cancer cells start accumulating in the tumor that makes it refractory to therapeutic interventions. Model analyses unveiled the presence of feedback loops that establish the dual role of M2 macrophages in regulating tumor proliferation. The study further revealed oscillations in the tumor sub-populations in the presence of T-H1 derived IFN-gamma that eliminates CSC; and the role of IL10 feedback in the regulation of T-H1/T-H2 ratio. These analyses expose important observations that are indicative of Cancer prognosis. Further, the model has been used for testing known treatment pro-tocols to explore the reasons of failure of conventional treatment strategies and propose an improvised protocol that shows promising results in suppressing the proliferation of all the cellular sub-populations of the tumor and restoring a healthy T-H1/T-H2 ratio that assures better Cancer remission.}, doi = {10.1371/journal.pone.0203030}, author = {Ganguli, Piyali and Sarkar, Ram Rup} } @article {44645, title = {Exploring the biological roles of Dothideomycetes ABC proteins: leads from their phylogenetic relationships with functionally-characterized Ascomycetes homologs}, journal = {PLoS One}, volume = {13}, year = {2018}, month = {AUG }, abstract = {
Background The ATP-binding cassette (ABC) superfamily is one of the largest, ubiquitous and diverse protein families in nature. Categorized into nine subfamilies, its members are important to most organisms including fungi, where they play varied roles in fundamental cellular processes, plant pathogenesis or fungicide tolerance. However, these proteins are not yet well-understood in the class Dothideomycetes, which includes several phytopathogens that infect a wide range of food crops including wheat, barley and maize and cause major economic losses. Results We analyzed the genomes of 14 Dothideomycetes fungi (Test set) and seven well-known Ascomycetes fungi (Model set-that possessed gene expression/functional analysis data about the ABC genes) and predicted 578 and 338 ABC proteins from each set respectively. These proteins were classified into subfamilies A to I, which revealed the distribution of the subfamily members across the Dothideomycetes and Ascomycetes genomes. Phylogenetic analysis of Dothideomycetes ABC proteins indicated evolutionary relationships among the subfamilies within this class. Further, phylogenetic relationships among the ABC proteins from the Model and the Test fungi within each subfamily were analyzed, which aided in classifying these proteins into subgroups. We compiled and curated functional and gene expression information from the previous literature for 118 ABC genes and mapped them on the phylogenetic trees, which suggested possible roles in pathogenesis and/or fungicide tolerance for the newly identified Dothideomycetes ABC proteins. Conclusions The present analysis is one of the firsts to extensively analyze ABC proteins from Dothideomycetes fungi. Their phylogenetic analysis and annotating the clades with functional information indicated a subset of Dothideomycetes ABC genes that could be considered for experimental validation for their roles in plant pathogenesis and/or fungicide tolerance.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0197447}, author = {Dube, Gaurav and Kadoo, Narendra and Prashant, Ramya} } @article {45469, title = {Facile activation of Si-H bond by an electrophilic carbene}, journal = {Indian Chemical Society}, volume = {95}, year = {2018}, month = {JUL}, pages = {789-793}, type = {Article}, abstract = {Herein, we have explored the chemistry of 1,3-bis(2,6-di-isopropylphenyl)-5,5-dimethy1-4,6-diketopyrimidinyl-2-ylidene (1) with various silanes under mild conditions. The oxidative addition of Si-H bond of phenylsilane with DAC 1 affords the compound 2, which is unambiguously characterized by muitinuclear NMR spectroscopy, elemental analysis, and X-ray single crystal diffraction studies. Interestingly, DAC 1 activates silicon hydride bond of chlorosilanes at room temperature and results in the corresponding silylation products.}, issn = { 0019-4522}, author = {Swamy, V. S. V. S. N. and Kundu, Gargi and Sen, Sakya S.} } @article {44476, title = {Facile and solvent-free domino synthesis of new quinolidinyl-2,4-thiazolidinones: antifungal activityand molecular docking}, journal = {Mini-Reviews in Medicinal Chemistry}, volume = {18}, year = {2018}, month = {JAN}, pages = {622-630}, abstract = {Objective: We have synthesized new quinolidinyl-thiazolidinones via Knoevenagel condensation-alkylation reaction, catalyzed by [Et3NH][HSO4]. The present approach offers several advantages such as higher yields, eco-friendly reaction condition and economic availability of the catalyst. Method: The newly synthesized compounds were evaluated for their in vitro antifungal activity against six fungal strains. Some of the synthesized conjugates displayed good to moderate antifungal activity. Conclusion: Again, the molecular docking study performed against the fungal sterol 14 alpha-demethylase (CYP51) showed an excellent binding affinity towards the enzyme which could rationalize the promising antifungal activity portrayed by these derivatives and provides a platform for structure based drug design.}, doi = {10.2174/1389557516666161226161152}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Tupe, Santosh G. and Deshpande, Mukund V. and Khedkar, Vijay M. and Jha, Prakash C. and Shingate, Bapurao B.} } @article {44614, title = {Facile, environmentally benign and scalable approach to produce pristine few layers graphene suitable for preparing biocompatible polymer nanocomposites}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {JUL}, pages = {11228}, abstract = {
The success of developing graphene based biomaterials depends on its ease of synthesis, use of environmentally benign methods and low toxicity of the chemicals involved as well as biocompatibility of the final products/devices. We report, herein, a simple, scalable and safe method to produce defect free few layers graphene using naturally available phenolics i.e. curcumin/tetrahydrocurcumin/ quercetin, as solid-phase exfoliating agents with a productivity of similar to 45 g/batch (D/G = 0.54 and D/D{\textquoteright} \<= 1.23). The production method can also be employed in liquid-phase using a ball mill (20 g/batch, D/G \<= 0.23 and D/D{\textquoteright} \<= 1.12) and a sand grinder (10 g/batch, D/G \<= 0.11 and D/D similar to = 0.78). The combined effect of p-p interaction and charge transfer (from curcumin to graphene) is postulated to be the driving force for efficient exfoliation of graphite. The yielded graphene was mixed with the natural rubber (NR) latex to produce thin film nanocomposites, which show superior tensile strength with low modulus and no loss of \% elongation at break. In-vitro and in-vivo investigations demonstrate that the prepared nanocomposite is biocompatible. This approach could be useful for the production of materials suitable in products (gloves/condoms/catheters), which come in contact with body parts/ body fluids.
}, issn = {2045-2322}, doi = {10.1038/s41598-018-28560-1}, author = {George, Gejo and Sisupal, Suja Bhargavan and Tomy, Teenu and Kumaran, Alaganandam and Vadivelu, Prabha and Suvekbala, Vemparthan and Sivaram, Swaminathan and Ragupathy, Lakshminarayanan} } @proceedings {44477, title = {Facile one-pot hydrothermal approach for the preparation of CuO/rGO nanocomposites with different morphologies}, volume = {1953}, year = {2018}, month = {MAY}, publisher = {2nd International Conference on Condensed Matter and Applied Physics (ICC 2017)}, address = {Bikaner; India.}, abstract = {
Graphene-based metal oxides such as Cu2O, SnO2, CuO, Fe3O4, MnO2 are promising candidates for many applications because of their advantageous properties. Amongst all, CuO has been widely studied because of its excellent electrocatalytic activity. Although many methodologies have been developed for the synthesis of CuO/graphene nanostructures with different morphologies including nanorods, nanoparticles, nanosheets, flower, urchin; not many investigations have been done on one pot synthesis method for CuO/reduced graphene oxide (rGO) nanocomposites to achieve different morphologies. Therefore in the present work effort has been made to synthesize various CuO-rGO nanocomposites via surfactant (CTAB) assisted hydrothermal method. Detailed study was performed to monitor the effect of various reaction parameters like temperature, reaction time, reactant concentration on the synthesized nanocomposites. Several analytical tools, including XRD, SEM, FTIR and UV-Vis spectroscopy have been utilized to characterize the samples. XRD results showed formation of monoclinic structure of CuO along with presence of rGO. Calculated optical bandgap studies indicate decrease in the bandgap of synthesized CuO (Eg=4.5eV-4.34eV) with increase in temperature from 120{\textdegree}C to 180{\textdegree}C. Our results clearly demonstrate that reaction parameters play a key role to bring out the optical and morphological changes in the CuO-rGO nanocomposites.
}, doi = {10.1063/1.5032517}, author = {Ajit, Akshata V. and Gawli, Yogesh P. and Ethiraj, Anita Sagadevan} } @article {44359, title = {Facile one-pot multicomponent synthesis and molecular docking studies of steroidal oxazole/thiazole derivatives with effective antimicrobial, antibiofilm and hemolytic properties}, journal = {Steroids}, volume = {134}, year = {2018}, month = {JUN}, pages = {22-36}, type = {Article}, abstract = {A series of steroidal oxazole and thiazole derivatives have been synthesized employing thiosemicarbazide/semicarbazide hydrochloride and ethyl 2-chloroacetoacetate with a simple and facile one-pot multicomponent reaction pathway. The antimicrobial activity of newly synthesized compounds were evaluated against four bacterial strains namely Gram-negative (Escherichia coli and Pseudomonas aeruginosa) and Gram-positive bacteria (Staphylococcus aureus and Listeria monocytogenes) in addition to pathogenic fungi (Candida albicans and Cryptococcus neofonnans). Bioactivity assay manifested that most of the compounds exhibited good antimicrobial activity. To provide additional insight into antimicrobial activity, the compounds were also tested for their antibiofilm activity against S. aureus biofilm. Moreover, molecular docking study shows binding of compounds with amino acid residues of DNA gyrase and glucosamine-6-phosphate synthase (promising antimicrobial target) through hydrogen bonding interactions. Hemolytic activity have been also investigated to ascertain the effect of compounds over RBC lysis and results indicate good prospects for biocompatibility. The expedient synthesis of steroidal heterocycles, effective antibacterial and antifungal behavior against various clinically relevant human pathogens, promising biocompatibility offer opportunities for further modification and potential applications as therapeutic agents.}, doi = {10.1016/j.steroids.2018.04.003}, author = {Ansari, Anam and Ali, Abad and Asif, Mohd and Rauf, Mohd Ahmar and Owais, Mohammad and Shamsuzzaman} } @article {45403, title = { Facilitated lithium storage in hierarchical microsphere of Cu2S-MoS2 ultrathin nanosheets}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {OCT}, pages = {11020-11026}, type = {Article}, abstract = {Considering the high energy density Lithium ion batteries have become one of the best option for next-generation energystorage technologies. Transition metal chalcogenide nanomaterials are promising electrodes for Lithium-ion batteries. Molybdenum based layered chalcogenide materials wisely studied for rechargeable Li-ion batteries, due to its two-dimensional (2D) layered structure and better specific capacity. The three-dimensional (3D) synthesis of microsphere by ultrathin nanosheets is necessary for practical applications. Herein, the fabrication of a unique hierarchical 2D layered Cu2S-MoS2 nanostructure was (ultrathin nanosheets) demonstrated via in situ assembling of two-dimensional (2D) growths in facile solvothermal technique. The structural study reveals the existence of Cubic Cu2S and Rhombohedral MoS2 phase. Morphological study by FESEM and TEM shows unique ultrathin nanosheets of similar to 10 nm thickness self-assembled in the form of layered microsphere. In Li- ion storage testing, Cu2S-MoS2 electrode exhibited good specific discharge capacity of 651 mAhg(-1) at 50 mAg(-1) applied current and maintained 320 mAhg(-1) after 100 cycles. The facilitated advanced electrochemical performance attributed to layered ultrathin Cu2S-MoS2 composite nanosheets.}, issn = { 2365-6549}, doi = {10.1002/slct.201802470}, author = {Kadam, Sunil R. and Kalubarme, Ramchandra S. and Deshmukh, Shrutika P. and Panmand, Rajendra P. and Kawade, Ujjwala, V. and Kulkarni, Milind, V. and Deo, Shriniwas S. and Gosavi, Suresh W. and Kale, Bharat B.} } @article {45393, title = { Fast dissolving moxifloxacin hydrochloride antibiotic drug from electrospun Eudragit L-100 nonwoven nanofibrous mats}, journal = {Materials Science \& Engineering C-Materials For Biological Applications }, volume = {92}, year = {2018}, month = {NOV}, pages = { 526-539}, type = {Article}, abstract = {Antimicrobial electrospun nonwoven Eudragit L-100 nanofibrous mats containing Moxifloxacin hydrochloride (MOX-HCL) were fabricated for fast dissolving drug delivery systems (DDSs) associated with wound infection. The morphological characterization of nanofibers using ESEM revealed that the average diameter of non-woven nanofibrous mats ranges 200-600 nm. The nanofiber showed cylindrical shape with crack on the surface. Differential scanning calorimetric (DSC) and Wide Angle X-ray diffraction (WAXRD) demonstrate that the drug exists in an amorphous state in the nanofibers. Nanofibrous mats were also tested for mechanical strength, contact angle, swelling assay, haemolysis and disintegration test. In vitro disintegration tests demonstrated that the dissolution of Eudragit L-100 fiber mats was within 25 s which was higher compared to the pure drug. The Eudragit nanofibers showed pH-dependent drug release profiles, with slow release at pH 1.2 and burst release (around 30 s) at pH 6.8. The in-vitro quantitative and qualitative antimicrobial assay showed that the developed Eudragit L-100 nanofibrous mats with MOX-HCL concentration of 1\%, 5\% and 15 wt\% exhibited antibacterial activities against both gram positive (Staphylococcus aureus) and gram negative (Escherichia coli) bacteria. The invitro cytotoxicity assay using mouse fibroblast NIH/3T3 cells demonstrated significant biocompatibility of nanofiber mats. As per the results of biological evaluation, Eudragit L-100 nanofibrous mats with 1wt\% MOX-HCL could be a suitable substrate for biomedical applications. Eudragit L-100 nanofibrous mats containing Moxifloxacin hydrochloride (MOX-HCL) showed immediate DDSs for localized drug release in the wound infection at slightly acidic or alkaline conditions where faster drug release rate is required for wound healing.}, issn = {0928-4931}, doi = {10.1016/j.msec.2018.06.031}, author = {Giram, Prabhanjan S. and Shitole, Ajinkya and Nande, Smita S. and Sharma, Neeti and Garnaik, Baijayantimala} } @article {44357, title = {Favorable 2 {\textquoteright}-substitution in the loop region of a thrombin-binding DNA aptamer}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {28}, year = {2018}, month = {JUN}, pages = {1765-1768}, type = {Article}, abstract = {Simple 2{\textquoteright}-OMe-chemical modification in the loop region of the 15mer G-rich DNA sequence GGTTGGTGTGGTTGG is reported. The G-quadruplex structure of this thrombin-binding aptamer (TBA), is stabilized by single modifications (T -> 2{\textquoteright}-OMe-U), depending on the position of the modification. The structural stability also renders significantly increased inhibition of thrombin-induced fibrin polymerization, a process closely associated with blood-clotting. (C) 2018 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.bmcl.2018.04.027}, author = {Awachat, Ragini and Wagh, Atish A. and Aher, Manisha and Fernandes, Moneesha and Kumar, Vaijayanti A.} } @article {44199, title = {First total synthesis of (+/-)-rhodoconferimide}, journal = {Synthesis-Stuttgart}, volume = {50}, year = {2018}, month = {FEB}, pages = {658-662}, type = {Article}, abstract = {
Starting from vanillin and dimethyl maleate, a concise and efficient racemic total synthesis of the potent antioxidant marine natural product (+/-)-rhodoconferimide has been carried out via the Wittig reaction, catalytic hydrogenation, selective brominations, and imide formation. An appropriate regioselective double bromination of the aromatic ring was a key step in the synthesis.
}, keywords = {(+/-)-rhodoconferimide, Antioxidants, Bromination, Natural products, Total synthesis, Vanillin}, issn = {0039-7881}, doi = {10.1055/s-0036-1590944}, author = {Pandhade, Kailas R. and N. P. Argade} } @article {44654, title = {First total synthesis of the proposed structure of pandangolide 1}, journal = {European Journal of Organic Chemistry}, year = {2018}, month = {JUL}, pages = {3352-3364}, abstract = {
The first total synthesis of the proposed structure of pandangolide 1 is reported. The synthesis was carried out using both an organocatalytic approach and a chiral-pool approach. The required stereochemistry at C-3 and C-5 was installed by using an organocatalytic aldol reaction and a stereoselective ketone reduction. The construction of the 12-membered core was achieved by 2-methyl-6-nitrobenzoic anhydride-mediated Shiina lactonization. The structure of target molecule was confirmed unambiguously by single-crystal X-ray analysis, but the optical rotation and NMR spectroscopic data of the synthetic pandangolide 1 were found to be inconsistent with the natural product.
}, keywords = {lactones, Macrocycles, Natural products, structure elucidation, synthesis design, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201800675}, author = {Show, Krishanu and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {45497, title = {Flexible and free-standing reduced graphene oxide thick films with PMMA stabilized silver nanoparticles, as a potential probe for cancer thermal therapy}, journal = {Biomedical physics and engineering express}, volume = {4}, year = {2018}, month = {OCT }, pages = {65032}, type = {Article }, abstract = {hermal therapy is an efficient, cost-effective method for treating different types of cancers and hence flexible, light weight, biocompatible heating materials with low power consumption are of utmost importance. Partially reduced flexible, robust and bio-compatible thick graphene oxide films with, mostly edge functionalized Polymethyl methacrylate (PMMA) and in situ grown silver nanoparticles were prepared using simple soak and dry strategy. Larger distribution of silver nanoparticles with a mean diameter of 2.5 nm were anchored towards the edges of these thick films. The electrothermal (Joule heating) performance were found to increase in the presence of silver nanoparticles due to decrease in sheet resistance (0.33 {\texttimes} 104 Ωm) and increase in electron-phonon interaction. These free-standing, flexible films exhibited stable Joule heating behavior under repeated voltage on/off cycles. In-vitro studies performed on breast cancer cells in the presence of the prepared films, with an external applied voltage of 10 VDC, shows 67\% cell death. This work proves the potentiality of thick heterogeneous (partially) reduced graphene oxide films towards site specific destruction of solid tumors by utilizing its Joule heating properties.}, doi = {10.1088/2057-1976/aae90c}, author = {Asha, S. and Nimrodh Ananth, A. and Jose, S. P. and Rajan, M. A. J.} } @article {44616, title = {Flexible composite mechanical energy harvester from a ferroelectric organoamino phosphonium salt}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {JUL}, pages = {9054-9058}, abstract = {
A new binary organic salt diphenyl diisopropylamino phosphonium hexaflurophosphate (DPDPPF6) was shown to exhibit a good ferroelectric response and employed for mechanical energy harvesting application. The phosphonium salt crystallizes in the monoclinic noncentrosymmetric space group Cc and exhibits an H-bonded 1D chain structure due to N-HF interactions. Ferroelectric measurements on the single crystals of DPDPPF6 gave a well-saturated rectangular hysteresis loop with a remnant (P-r) polarization value of 6Ccm(-2). Further, composite devices based on polydimethylsiloxane (PDMS) films for various weight percentages (3, 5, 7, 10 and 20wt\%) of DPDPPF6 were prepared and examined for power generation by using an impact test setup. A maximum output peak-to-peak voltage (V-PP) of 8.5V and an output peak-to-peak current (I-PP) of 0.5A was obtained for the non-poled composite film with 10wt\% of DPDPPF6. These results show the efficacy of organic ferroelectric substances as potential micropower generators.
}, keywords = {binary phosphonium salts, energy conversion, ferroelectricity, hydrogen bonding, polymer composites}, issn = {1433-7851}, doi = {10.1002/anie.201805479}, author = {Vijayakanth, Thangavel and Srivastava, Anant Kumar and Ram, Farsa and Kulkarni, Priyangi and Shanmuganathan, Kadhiravan and Praveenkumar, Balu and Boomishankar, Ramamoorthy} } @article {45381, title = { Flim-Map: gene context based identification of functional modules in bacterial metabolic pathways}, journal = {Frontiers in microbiology}, volume = {9}, year = {2018}, month = {SEP}, type = {Article}, abstract = {Prediction of functional potential of bacteria can only be ascertained by the accurate annotation of its metabolic pathways. Homology based methods decipher metabolic gene content but ignore the fact that homologs of same protein can function in different pathways. Therefore, mere presence of all constituent genes in an organism is not sufficient to indicate a pathway. Contextual occurrence of genes belonging to a pathway on the bacterial genome can hence be exploited for an accurate estimation of functional potential of a bacterium. In this communication, we present a novel annotation resource to accurately identify pathway presence by using gene context. Our tool FLIM-MAP (Functionally Important Modules in bacterial Metabolic Pathways) predicts biologically relevant functional units called {\textquoteright}GCMs{\textquoteright} (Gene Context based Modules) from a given metabolic reaction network. We benchmark the accuracy of our tool on amino acids and carbohydrate metabolism pathways.}, doi = {10.3389/fmicb.2018.02183}, author = {Bhatt, Vineet and Mohapatra, Anwesha and Anand, Swadha and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {44608, title = {Fluorescent chemodosimeter for quantification of Cystathionine-y-synthase activity in plant extracts and imaging of endogenous biothiols}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {AUG}, pages = {9079-9082}, type = {Article}, abstract = {
A new reagent for quantification of CgS in plant extracts using a generalized methodology suitable for recognition of homocysteine (Hcy) with luminescence ON response.
}, doi = {10.1039/C8CC04296A}, author = {Agarwalla, Hridesh and Hoskere, Anila A. and Ali, Firoj and Pradhan, Swaraj Rashmi and Ganguly, Bishwajit and Pramanik, Sumit kumar and Das, Amitava} } @article {44652, title = {Fluorinated nanocellulose-reinforced all-organic flexible ferroelectric nanocomposites for energy generation}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {JUL}, pages = {16540-16549}, abstract = {
We report here enhanced ferroelectric crystal formation and energy generation properties of polyvinylidene fluoride (PVDF) in the presence of surface-modified crystalline nanocellulose. Incorporation of only 2-5 wt \% fluorinated nanocellulose (FNC) in PVDF has been found to significantly induce polar beta/gamma-phase crystallization as compared to the addition of unmodified nanocellulose (carboxylated nanocellulose). A device made up of electrically poled PVDF/FNC composite films yielded 2 orders of magnitude higher voltage output than neat PVDF in vibrational energy harvesting. This remarkable increase in energy generation properties of PVDF at such a low loading of an organic natural biopolymer could be attributed to the tailored surface chemistry of nanocellulose, facilitating strong interfacial interactions between PVDF and FNC. Interestingly, energy harvesting devices fabricated from PVDF/FNC nanocomposites charged a 4.7 mu F capacitor at significantly faster rate and the accumulated voltage on capacitor was 3.8 times greater than neat PVDF. The fact that PVDF/FNC nanocomposites still retain a strain at break of 10-15\% and can charge a capacitor in few seconds suggests potential use of these nanocomposites as flexible energy harvesting materials at large strain conditions.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.8b03470}, author = {Ram, Farsa and Ambone, Tushar and Sharma, Aakash and Murugesan, Rajarathinam and Kajale, Deepak and Borkar, Vivek and Ali, Shaikh Faruque and Balu, Praveen Kumar and Kumaraswamy, Guruswamy and Shanmuganathan, Kadhiravan} } @article {44631, title = {Four-step total synthesis of (+)-yaoshanenolides A and B}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {JUN}, pages = {7036-7045}, abstract = {
A highly concise bioinspired four-step total synthesis of yaoshanenolides A and B possessing tricyclic spirolactone with an unusual 5{\textquoteright}H-spiro-[bicyclo[2.2.2]-oct[2] ene-7,2{\textquoteright}-furan]-5{\textquoteright}-one scaffold is reported. This synthesis features high-yielding aldol-type addition of gamma-butyrolactone on to the aldehyde, exocyclic olefination of lactone derivative using Eschenmoser{\textquoteright}s salt, and highly facial-and endo-selective [4 + 2]-cycloaddition of fully functionalized 5-methylene-2(5H)-furanone with natural R-(-)-alpha-phellandrene. The approach allows access to yaoshanenolides A and B in four linear steps in 11 and 13\% overall yield.
}, issn = {2470-1343}, doi = {10.1021/acsomega.8b00701}, author = {Thorat, Sagar S. and Palange, Megha N. and Kontham, Ravindar} } @proceedings {45574, title = {Framework for building a portfolio of disruptive technologies for sustainable mobility}, year = {2018}, month = {OCT}, publisher = {FISITA}, address = {Chennai; India}, abstract = {We provide a framework that would help the CTO to (a) assess the disruptive power of new technologies at an early stage (b) systematically track its evolution and (c) build a sustainable plan for the company to respond to the disruption. We have applied our framework to illustrate how the CTO of an automotive OEM can build a portfolio of disruptive technologies in electric, autonomous and connected vehicles to create sustainable mobility for the future. We describe qualitative and quantitative tools and metrics that would help the CTO to make investment decisions on new disruptive technologies and communicate to the stakeholders}, url = {https://www.scopus.com/inward/record.url?eid=2-s2.0-85057984300\&partnerID=40\&md5=9cdbb097550a6ed6e2d126140aba0ad3}, author = {Venugopal, S. and Shankar, S.} } @article {44478, title = {Friedel{\textendash}crafts alkylation over Zr-mont catalyst for the production of diesel fuel precursors}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {MAY}, pages = {5491{\textendash}5501}, type = {Article}, abstract = {Heterogeneous Zr-Mont catalyst prepared by a simple protocol was employed for the production of diesel fuel precursors via Friedel{\textendash}Crafts (FC) alkylation of petroleum-derived arenes (e.g., mesitylene, xylene, and toluene) with biomass-derived 5-(hydroxymethyl)furfural (HMF), HMF derivatives, and carbohydrates. Initially, several acidic catalysts were screened for the FC alkylation of mesitylene with HMF in nitroethane solvent. Among all, Zr-Mont catalyst gave an exceptionally high yield (80\%) of mesitylmethylfurfural (MMF). The catalytic activity of Zr-Mont was also evaluated for the alkylation of different petroleum-derived arenes with ester/halogen derivatives of HMF. Suitable acid strength and high surface area of Zr-Mont were its major attributes to make it the most efficient solid acid catalyst for this FC reaction. Even after several reuses, the catalytic activity of Zr-Mont was found to be consistent, which was also evidenced by the acidity measurements of fresh and reused Zr-Mont catalysts by temperature-programmed desorption of ammonia and pyridine Fourier transform infrared spectroscopy techniques. Direct conversion of glucose to diesel fuel precursors was also attempted over Zr-Mont catalyst in mesitylene and polar nonacidic solvents at 150 {\textdegree}C. However, the activity of Zr-Mont catalyst was limited for glucose dehydration to HMF and MMF did not form. When the same experiment was performed in formic acid medium, MMF was produced in 34\% yield. After the addition of formic acid, the reaction becomes biphasic which contains mesitylene as an organic phase and formic acid as an aqueous phase. Formic acid worked as a solvent, reactant, and cocatalyst, whereas mesitylene worked as a reactant and product extraction phase to enable easy product isolation. With this strategy, other diesel fuel precursors were also produced in 26{\textendash}30\% yields from glucose and different arenes. Similar strategy was successfully extended for the conversion of sucrose to diesel fuel precursors.}, doi = {10.1021/acsomega.8b00560}, author = {Shinde, Suhas and Rode, Chandrashekhar Vasant} } @article {45401, title = {From a helix to a small cycle: metadynamics-inspired alpha v beta 6 integrin selective ligands}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {OCT}, pages = {14645-14649}, type = {Article}, abstract = {The RGD-recognizing alpha v beta 6 integrin has only recently emerged as a major target for cancer diagnosis and therapy. Thus, the development of selective, low-molecular-weight ligands of this receptor is still in great demand. Here, a metadynamics-driven design strategy allowed us to successfully convert a helical nonapeptide into a cyclic pentapeptide (6) showing remarkable potency and alpha v beta 6 specificity. NMR and docking studies elucidated the reasons for the high affinity and selectivity of this compound, setting the ground for the rational design of new alpha v beta 6-specific small peptides or even peptidomimetics. In vivo PET imaging studies demonstrated the potential use of 6 for medical applications.}, issn = { 1433-7851}, doi = {10.1002/anie.201803250}, author = {Di Leva, Francesco Saverio and Tomassi, Stefano and Di Maro, Salvatore and Reichart, Florian and Notni, Johannes and Dangi, Abha and Marelli, Udaya Kiran and Brancaccio, Diego and Merlino, Francesco and Wester, Hans-Juergen and Novellino, Ettore and Kessler, Horst and Marinelli, Luciana} } @article {44345, title = { Functionalized carbon nanotube reinforced polymer nanocomposite microcapsules with enhanced stiffness}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {550}, year = {2018}, month = {AUG}, pages = {82-89}, type = {Article}, abstract = {Microcapsules with tunable mechanical properties are highly desirable in pressure sensitive applications. We report here a facile approach to prepare polyurea/multiwall carbon nanotube (MWCNTs) nanocomposite microcapsules (MICs) with enhanced stiffness. A model compound dimethyl phthalate (DMP) was used as core material. MWCNTs were modified with reactive functional groups namely carboxyl (-COOH), amines (-NH2), and isocyanates (-NCO) to ensure a stronger interface between polymer wall and MWCNTs. Functionalization of MWCNTs was corroborated by Fourier transformed infrared spectroscopy (FTIR). Scanning electron microscopy (SEM) was employed to study the surface morphology of MICs. The presence of MWCNTs in the microcapsule wall was confirmed by transmission electron microscopy (TEM). MICs with functionalized MWCNTs show almost 100\% increase in stiffness with respect to pristine capsules. All MICs show 92-97 +/- 1\% encapsulation efficiency. The approach used in this paper can be broadly utilized to tune the mechanical properties of the microcapsules.}, doi = {10.1016/j.colsurfa.2018.04.028}, author = {Jagtap, Siddheshwar B. and Patil, Vishal D. and Suresh, Karthika and Ram, Farsa and Mohan, Muthu Subramanian and Rajput, Shatruhan S. and Patil, Shivprasad and Shukla, Parshuram G. and Shanmuganathan, Kadhiravan} } @article {44642, title = {Fused fluorenylindolenine-donor-based unsymmetrical squaraine dyes for dye-sensitized solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {10}, year = {2018}, month = {AUG}, pages = {26335-26347}, abstract = {
A series of four unsymmetrical squaraine dyes, XSQ1-4, were synthesized using a fused fluorenylindolenine-based donor unit for dye-sensitized solar cells (DSSCs). The fused structure of fluorenylindolenine helped in moving the absorption toward the near-infrared (NIR) region, and the two sp(3)-C centers available on this donor were utilized to incorporate out-of-plane alkyl chains in opposite directions to control the dye-dye interactions on the TiO2 surface. High extinction coefficient (epsilon \>= 10(5) M-1 cm(-1)) for absorbing NIR photons and suitable highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels with respect to the conduction band of TiO2 and electrolyte for charge injection and dye regeneration processes, respectively, make these dyes potential sensitizers for DSSCs. Introduction of branched alkyl groups in the pi-framework helped in controlling dye aggregation to reduce exciton quenching and assisted in TiO2 surface passivation to avoid the charge recombination process. Furthermore, having a naphthyl group on the indole part of the anchoring group containing segment helped to red-shift the absorption spectrum of dyes 15 nm toward the NIR region (XSQ3-4). Among all of the dyes under investigation, XSQ2 gave the best photovoltaic performance, having a short-circuit current density (J(SC)) of 13.99 mA cm(-2), open -circuit voltage (V-OC) of 0.66 V, and a fill factor (ff) of 0.71, with a device performance (eta) of 6.57\%. Electrochemical impedance spectroscopy revealed higher electron lifetime on TiO2 for XSQ2, which helps to avoid the charge recombination process.
}, keywords = {Dye-sensitized solar cells, fluorenylindolenine, H- and J-type aggregation, NIR absorption, out-of-plane alkyl groups, squaraine dyes}, issn = {1944-8244}, doi = {10.1021/acsami.8b09866}, author = {Bisht, Rajesh and Sudhakar, Vediappan and Kavungathodi, Munavvar Fairoos Mele and Karjule, Neeta and Nithyanandhan, Jayaraj} } @article {44479, title = {GA3 application in grapes (Vitis vinifera L.) modulates different sets of genes at cluster emergence, full bloom, and berry stage as revealed by RNA sequence-based transcriptome analysis}, journal = {Functional \& Integrative Genomics}, volume = {18}, year = {2018}, month = {JUL}, pages = {439{\textendash}455}, abstract = {In grapes (Vitis vinifera L.), exogenous gibberellic acid (GA3) is applied at different stages of bunch development to achieve desirable bunch shape and berry size in seedless grapes used for table purpose. RNA sequence-based transcriptome analysis was used to understand the mechanism of GA3 action at cluster emergence, full bloom, and berry stage in table grape variety Thompson Seedless. At cluster emergence, rachis samples were collected at 6 and 24 h after application of GA3, whereas flower clusters and berry samples were collected at 6, 24, and 48 h after application at full bloom and 3{\textendash}4 mm berry stages. Seven hundred thirty-three genes were differentially expressed in GA3-treated samples. At rachis and flower cluster stage respectively, 126 and 264 genes were found to be significantly differentially expressed within 6 h of GA3 application. The number of DEG reduced considerably at 24 h. However, at berry stage, major changes occurred even at 24 h and a number of DEGs at 6 and 24 h were 174 and 191, respectively. As compared to upregulated genes, larger numbers of genes were downregulated. Stage-specific response to the GA3 application was observed as evident from the unique set of DEGs at each stage and only a few common genes among three stages. Among the DEGs, 67 were transcription factors. Functional categorization and enrichment analysis revealed that several transcripts involved in sucrose and hexose metabolism, hormone and secondary metabolism, and abiotic and biotic stimuli were enriched in response to application of GA3. A high correlation was recorded for real-time PCR and transcriptome data for selected DEGs, thus indicating the robustness of transcriptome data obtained in this study for understanding the GA3 response at different stages of berry development in grape. Chromosomal localization of DEGs and identification of polymorphic microsatellite markers in selected genes have potential for their use in breeding for varieties with improved bunch architecture.}, keywords = {Bunch architecture, GA3 response, Microsatellite markers, RNA seq, Transcription factors, Vitis vinifera}, issn = {1438-793X}, doi = {10.1007/s10142-018-0605-0}, author = {Upadhyay, Anuradha and Maske, Smita and Jogaiah, Satisha and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article {44481, title = {G-C3N4/NiAl-LDH 2D/2D hybrid heterojunction for high-performance photocatalytic reduction ofco2 into renewable fuels}, journal = {ACS Applied Materials \& Interfaces}, volume = {10}, year = {2018}, month = {JAN}, pages = {2667-2678}, type = {Article }, abstract = {2D/2D interface heterostructures of g-C3N4 and NiAl-LDH are synthesized utilizing strong electrostatic interactions between positively charged 2D NiAl-LDH sheets and negatively charged 2D g-C3N4 nanosheets. This new 2D/2D interface heterojunction showed remarkable performance for photocatalytic CO, reduction to produce renewable fuels such as CO and H-2 under visible-light irradiation, far superior to that of either single phase g-C3N4 or NiAl-LDH nanosheets. The enhancement of photocatalytic activity could be attributed mainly to the excellent interfacial contact at the heterojunction of gC(3)N(4)/NiAl-LDH, which subsequently results in suppressed recombination, and improved transfer and separation of photogenerated charge carriers. In addition, the optimal g-C3N4/NiAl-LDH nanocomposite possessed high photostability after successive experimental runs with no obvious change in the production of CO from CO, reduction. Our findings regarding the design, fabrication and photophysical properties of 2D/2D heterostructure systems may find use in other photocatalytic applications including H-2 production and water purification.}, doi = {10.1021/acsami.7b18835}, author = {Tonda, Surendar and Kumar, Santosh and Bhardwaj, Monika and Yadav, Poonam and Ogale, Satishchandra} } @article {44482, title = {Generic and scalable method for the preparation of monodispersed metal sulfide nanocrystals with tunable optical properties}, journal = {Langmuir}, volume = {34}, year = {2018}, month = {MAY}, pages = {5788-5797}, abstract = {
A rational synthetic method that produces monodisperse and air-stable metal sulfide colloidal quantum dots (CQDs) in organic nonpolar solvents using octyl dithiocarbamic acid (C(8)DTCA) as a sulfur source, is reported. The fast decomposition of metal-C(8)DTCA complexes in presence of primary amines is exploited to achieve this purpose. This novel technique is generic and can be applied to prepare diverse CQDs, like CdS, MnS, ZnS, SnS, and In2S3, including more useful and in-demand PbS CQDs and plasmonic nanocrystals of Cu2S. Based on several control reactions, it is postulated that the reaction involves the in situ formation of a metal-C(8)DTCA complex, which then reacts in situ with oleylamine at slightly elevated temperature to decompose into metal sulfide CQDs at a controlled rate, leading to the formation of the materials with good optical characteristics. Controlled sulfur precursor{\textquoteright}s reactivity and stoichiometric reaction between C(8)DTCA and metal salts affords high conversion yield and large-scale production of monodisperse CQDs. Tunable and desired crystal size could be achieved by controlling the precursor reactivity by changing the reaction temperature and reagent ratios. Finally, the photovoltaic devices fabricated from PbS CQDs displayed a power conversion efficiency of 4.64\% that is comparable with the reported values of devices prepared with PbS CQDs synthesized by the standard methods.
}, doi = {10.1021/acs.langmuir.8b00741}, author = {Bera, Abhijit and Mandal, Debranjan and Goswami, Prasenjit N. and Rath, Arup K. and Bhagavatula L. V. Prasad} } @article {45422, title = {Genetic and phytochemical investigations for understanding population variability of the medicinally important tree Saraca asoca to help develop conservation strategies}, journal = {Phytochemistry}, volume = {156}, year = {2018}, month = {DEC}, pages = {43-54}, type = {Article}, abstract = {Saraca asoca (Roxb.) De Wilde (Caesalpiniaceae) is a highly traded IUCN red listed tree species used in Ayurvedic medicines for the treatment of various disorders, especially gynaecological problems. However, information about the genetic variations between populations and corresponding variation in specialized metabolites of S. asoca remains unclear. To address this issue, we analysed 11 populations of S. asoca with 106 accessions collected from Western Ghats of India using ISSR markers along with selected phytocompounds using RP-HPLC. Twenty primers were screened, out of which seven were selected for further analysis based on generation of clear polymorphic banding patterns. These seven ISSR primers produced 74 polymorphic loci. AMOVA showed 43\% genetic variation within populations and 57\% among the populations of S. asoca. To estimate the genetic relationships among S. asoca populations, UPGMA and Bayesian Models were constructed, which revealed two clusters of similar grouping patterns. However, excluding minor deviations, UPGMA and dissimilarity analysis showed close association of genotypes according to their geographical locations. Catechin (CAT), epicatechin (EPI) and gallic acid (GA) were quantified from bark and leaf samples of corresponding genotypes collected from 106 accessions. ROC plots depicted the sensitivity and specificity of the concentrations of tested phytocompounds at various cut-off points. Although, multiple logistic regression analysis predicted some association between few loci with GA, EPI and CAT, but PCA for phytochemical data failed to distinguish the populations. Overall, there were no significant trends observed to distinguish the populations based on these phytocompounds. Furthermore, the study advocates the delineate provenance regions of S. asoca genotypes/chemotype snapshots for in-situ conservation and ex-situ cultivation.}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2018.08.016}, author = {Hegde, Satisha and Pai, Sandeep Ramchandra and Bhagwat, Rasika M. and Saini, Archana and Rathore, Poonam Kanwar and Jalalpure, Sunil Satyappa and Hegde, Harsha Vasudev and Sugunan, Attayoor Purushottaman and Gupta, Vidya S. and Kholkute, Sanjiva D. and Roy, Subarna} } @article {44034, title = {Genetic engineering approach using early Vinca alkaloid biosynthesis genes led to increased tryptamine and terpenoid indole alkaloids biosynthesis in differentiating cultures of catharanthus roseus}, journal = {Protoplasma}, year = {2018}, month = {AUG}, pages = {1-11}, type = {Article}, abstract = {
Catharanthus roseus today occupies the central position in ongoing metabolic engineering efforts in medicinal plants. The entire multi-step biogenetic pathway of its very expensive anticancerous alkaloids vinblastine and vincristine is fairly very well dissected at biochemical and gene levels except the pathway steps leading to biosynthesis of monomeric alkaloid catharanthine and tabersonine. In order to enhance the plant-based productivity of these pharma molecules for the drug industry, cell and tissue cultures of C. roseus are being increasingly tested to provide their alternate production platforms. However, a rigid developmental regulation and involvement of different cell, tissues, and organelles in the synthesis of these alkaloids have restricted the utility of these cultures. Therefore, the present study was carried out with pushing the terpenoid indole alkaloid pathway metabolic flux towards dimeric alkaloids vinblastine and vincristine production by over-expressing the two upstream pathway genes tryptophan decarboxylase and strictosidine synthase at two different levels of cellular organization viz. callus and leaf tissues. The transformation experiments were carried out using Agrobacterium tumefaciens LBA1119 strain having tryptophan decarboxylase and strictosidine synthase gene cassette. The callus transformation reported a maximum of 0.027\% dry wt vindoline and 0.053\% dry wt catharanthine production, whereas, the transiently transformed leaves reported a maximum of 0.30\% dry wt vindoline, 0.10\% catharanthine, and 0.0027\% dry wt vinblastine content. {\textcopyright} 2017 Springer-Verlag GmbH Austria
}, keywords = {Agroinfiltration, Strictosidine Synthase (CrSTR), Terpenoid Indole Alkaloids (TIAs)}, doi = {10.1007/s00709-017-1151-7}, author = {Sharma, A. and Verma, P. and Mathur, A. and Mathur, A.K.} } @article {44483, title = {Genetic programming based models for prediction of vapor-liquid equilibrium}, journal = {Calphad-Computer Coupling of Phase Diagrams and Thermochemistry}, volume = {60}, year = {2018}, month = {MAR}, pages = {68-80}, abstract = {The design, operation, and control of chemical separation processes heavily rely on the knowledge of the vapor liquid equilibrium (VLE). Often, conducting experiments to gain an insight into the separation behavior becomes tedious and expensive. Thus, standard thermodynamic models are used in the VLE prediction. Sometimes, exclusively data-driven models are also used in VLE prediction although this method too possesses drawbacks such as a trial and error approach in specifying the data-fitting function. For overcoming these difficulties, this paper employs a machine learning (ML) formalism namely "genetic programming (GP)" possessing certain attractive features for the VLE prediction. Specifically, three case studies have been performed wherein GP-based models have been developed using experimental data, for predicting the vapor phase composition of a ternary, and a group of non ideal binary systems. The inputs to models consists of three pure component attributes (acentric factor, critical temperature, and critical pressure), and as many intensive thermodynamic parameters (liquid phase composition, pressure, and temperature). A comparison of the VLE prediction and generalization performance of the GP-based models with the corresponding standard thermodynamic models reveals that the former class of models possess either superior or closely comparable performance vis-a-vis thermodynamic models. Noteworthy features of this study are: (i) a single GP-based model can predict VLE of a group of binary systems, and (ii) applicability of a GP-based model trained on an alcohol-acetate series data for its higher homolog. The VLE modeling approach exemplified here can be gainfully extended to other ternary and non-ideal binary systems, and for designing corresponding experiments in different pressure and temperature ranges.}, doi = {10.1016/j.calphad.2017.11.002}, author = {Patil-Shinde, Veena and Tambe, Sanjeev S.} } @inbook {45577, title = {Genomic roadmaps for augmenting salinity stress tolerance in crop plants}, booktitle = {Salinity Responses and Tolerance in Plants}, volume = {2}, year = {2018}, pages = {189-216}, publisher = {Springer}, organization = {Springer}, chapter = {8}, abstract = {Serious antagonistic impacts of saline environment on plant growth, development, and yield are well established. In this regard, researchers and breeders have been utilizing many conventional as well as modern approaches to aid the pro- cess of developing salt-tolerant crops. Biotechnological tools have made the task of engineering salinity tolerance in plants easier. Currently, two major annexes are effectively employed to develop salt-tolerant crops, first, investigation of genetic variation via marker-assisted selection (MAS) and second the transgenic technology. Sustenance of plants under dynamically growth-limiting saline environment depends on alterations and/or switching between multiple biochemical pathways involved in response. A number of key regulatory genes have been successfully identified and characterized in this context which can be explored to serve the purpose of alleviation in salt-tolerant nature of plants. Several genomics-abetted approaches have been reported aiming toward improvement in growth and yield of crops under saline envi- ronment. Present chapter focuses on genomic roadmaps for augmentation of crop salt tolerance by various methods including MAS, transgenic breeding, manipulations in small non-coding RNAs, and genome editing. These approaches utilize key players involved in salinity-mediated plant defense mechanisms, such as ion transporters, osmolytes, antioxidants, transcription factors, signaling proteins, and microRNA. The chapter attempts to summarize the effective targets and exploration of these key entities to raise salt-tolerant plants through various genomics-related tools. }, isbn = {978-3319903170}, doi = {10.1007/978-3-319-90318-7_8}, author = {Suprasanna, P. and Ghuge, S. A. and Patade, V. Y. and Mirajkar, S. J. and Nikalje, G. C.} } @article {44485, title = {Global transcriptome analysis of grapevine ( Vitis vinifera L.) leaves under salt stress reveals differential response at early and late stages of stress in table grape cv. Thompson Seedless}, journal = {Plant Physiology and Biochemistry}, volume = {129}, year = {2018}, month = {MAY}, pages = {168-179}, abstract = {Among the different abiotic stresses, salt stress has a significant effect on the growth and yield of grapevine (Vitis vinifera L.). In this study, we employed RNA sequence based transcriptome analysis to study salinity stress response in grape variety Thompson Seedless. Salt stress adversely affected the growth related and physiological parameters and the effect on physiological parameters was significant within 10 days of stress imposition. A total of 343 genes were differentially expressed in response to salt stress. Among the differentially expressed genes (DEGs) only 42 genes were common at early and late stages of stress. The gene enrichment analysis revealed that GO terms related to transcription factors were over-represented. Among the DEGs, 52 were transcription factors belonging to WRKY, EREB, MYB, NAC and bHLH families. Salt stress significantly affected several pathways like metabolic pathways, biosynthesis of secondary metabolites, membrane transport development related pathways etc. 343 DEGs were distributed on all the 19 chromosomes, however clustered regions of DEGs were present on chromosomes 2, 5, 6 and 12 suggesting probable QTLs for imparting tolerance to salt and other abiotic stresses. Real-time PCR of selected genes in control and treated samples of grafted and own root vines demonstrated that rootstock influenced expression of salt stress responsive genes. Microsatellite regions were identified in ten selected salt responsive genes and highly polymorphic markers were identified using fifteen grape genotypes. This information will be useful for the identification of key genes involved in salt stress tolerance in grape. The identified DEGs could also be useful for genome wide analysis for the identification of polymorphic markers for their subsequent use in molecular breeding for developing salt tolerant grape genotypes.}, doi = {10.1016/j.plaphy.2018.05.032}, author = {Upadhyay, Anuradha and Gaonkar, Tulsi and Upadhyay, Ajay Kumar and Jogaiah, Satisha and Shinde, Manisha P. and Kadoo, Narendra and Gupta, Vidya Shrikant} } @article {45447, title = { Glucose isomerization catalyzed by bone char and the selective production of 5-hydroxymethylfurfural in aqueous media}, journal = {Sustainable Energy \& Fuels}, volume = {2}, year = {2018}, month = {OCT}, pages = { 2148-2153}, type = {Article}, abstract = {The selective production of 5-hydroxymethylfurfural (HMF) is important, and it is difficult with glucose substrates in a water solvent. Here we demonstrate a selective method for glucose-to-HMF conversion using the combined catalysis of bone char and 1-methyl-3-(3-sulfopropyl)-imidazolium hydrogen sulfate acidic ionic liquid catalysts with a high HMF selectivity (54\%) in water.}, issn = {2398-4902}, doi = {10.1039/c8se00339d}, author = {Matsagar, Babasaheb M. and Van Nguyen, Chi and Hossain, Md. Shahriar A. and Islam, Md. Tofazzal and Yamauchi, Yusuke and Dhepe, Paresh L. and Wu, Kevin C. -W.} } @article {45446, title = { Glycolysis is important for optimal asexual growth and formation of mature tissue cysts by Toxoplasma gondii}, journal = {International Journal for Parasitology }, volume = {48}, year = {2018}, month = {OCT}, pages = {955-968}, type = {Article}, abstract = {Toxoplasma gondii can grow and replicate using either glucose or glutamine as the major carbon source. Here, we have studied the essentiality of glycolysis in the tachyzoite and bradyzoite stages of T. gondii, using transgenic parasites that lack a functional hexokinase gene (Delta hk) in RH (Type-1) and Prugniaud (Type-II) strain parasites. Tachyzoite stage 411k parasites exhibit a fitness defect similar to that reported previously for the major glucose transporter mutant, and remain virulent in mice. However, although Prugniaud strain Delta hk tachyzoites were capable of transforming into bradyzoites in vitro, they were severely compromised in their ability to make mature bradyzoite cysts in the brain tissue of mice. Isotopic labelling studies reveal that glucose-deprived tacyzoites utilise glutamine to replenish glycolytic and pentose phosphate pathway intermediates via gluconeogenesis. Interestingly, while glutaminedeprived intracellular Delta hk tachyzoites continued to replicate, extracellular parasites were unable to efficiently invade host cells. Further, studies on mutant tachyzoites lacking a functional phosphoenolpyruvate carboxykinase (Delta pepck1) revealed that glutaminolysis is the sole source of gluconeogenic flux in glucose-deprived parasites. In addition, glutaminolysis is essential for sustaining oxidative phosphorylation in zihk parasites, while wild type (wt) and Delta pepck1 parasites can obtain ATP from either glycolysis or oxidative phosphorylation. This study provides insights into the role of nutrient metabolism during asexual propagation and development of T. gondii, and validates the versatile nature of central carbon and energy metabolism in this parasite. (C) 2018 Australian Society for Parasitology. Published by Elsevier Ltd. All rights reserved.}, issn = { 0020-7519}, doi = {10.1016/j.ijpara.2018.05.013}, author = {Shukla, Anurag and Olszewski, Kellen L. and Llinas, Manuel and Rommereim, Leah M. and Fox, Barbara A. and Bzik, David J. and Xia, Dong and Wastling, Jonathan and Beiting, Daniel and Roos, David S. and Shanmugam, Dhanasekaran} } @article {44487, title = {Gold(I)-catalyzed cross-coupling reactions of aryldiazonium salts with organostannanes}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {APR}, pages = {2865-2869}, type = {Article}, abstract = {
Gold(I)-catalyzed cross-coupling reactions of aryldiazonium salts with organostannanes are described. This redox neutral strategy offers an efficient approach to diverse biaryls, vinyl arenes and arylacetylenes. Monitoring the reaction with NMR and ESI-MS provided strong evidence for the in situ formation of Ph3PAuIR (R = aryl, vinyl and alkynyl) species which is crucial for the activation of aryldiazonium salts.
}, doi = {10.1039/C8OB00630J}, author = {Akram, Manjur O. and Shinde, Popat S. and Chintawar, Chetan C. and Patil, Nitin T.} } @article {44489, title = {G-quadruplex motif at the 3{\textquoteright} end of sgRNAs improves CRISPR-Cas9 based genome editing efficiency}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {MAR}, pages = {2377-2380}, abstract = {Originating as a component of prokaryotic adaptive immunity, the type II CRISPR/Cas9 system has been repurposed for targeted genome editing in various organisms. Although Cas9 can bind and cleave DNA efficiently under in vitro conditions, its activity inside a cell can vary dramatically between targets owing to differences between genomic loci and availability of enough Cas9/sgRNA (single guide RNA) complex molecules for cleavage. Most methods to improve CRISPR/Cas9 activity have so far relied on Cas9 protein engineering or base modifications in the sgRNA sequence. Here we demonstrate that a structure based rational design of sgRNAs can enhance the efficiency of Cas9 cleavage in vivo. By appending a naturally forming RNA G-quadruplex motif to the 3' end of sgRNAs we can improve its stability and target cleavage efficiency in zebrafish embryos without inducing off-target activity, thereby underscoring its value in the design of better and optimized genome editing triggers.}, issn = {1359-7345}, doi = {10.1039/C7CC08893K}, author = {Nahar, Smita and Sehgal, Paras and Azhar, Mohammad and Rai, Manish and Singh, Amrita and Sivasubbu, Sridhar and Chakraborty, Debojyoti and Maiti, Souvik} } @article {45587, title = {Graphene quantum dots-driven multiform morphologies of β-NaYF4:Gd3+/Tb3+ phosphors: the underlying mechanism and their optical properties}, journal = {ACS omega }, volume = {3}, year = {2018}, month = {FEB }, pages = {1834 -1849}, type = {Article }, abstract = {Dimension and shape tunable architectures of inorganic crystals are of extreme interest because of morphology-dependent modulation of the properties of the materials. Herein, for the first time, we present a novel impurity-driven strategy where we studied the influence of in situ incorporation of graphene quantum dots (GQDs) on the growth of β-NaYF4:Gd3+/Tb3+ phosphor crystals via a hydrothermal route. The GQDs function as a nucleation site and by changing the concentration of GQDs, the morphology of β-NaYF4:Gd3+/Tb3+ phosphors was changed from rod to flowerlike structure to disklike structure, without phase transformation. The influence of size and functionalization of GQDs on the size and shape of phosphor crystals were also systematically studied and discussed. Plausible mechanisms of formation of multiform morphologies are proposed based on the heterogeneous nucleation and growth. Most interestingly, the experimental results indicate that the photoluminescence properties of β-NaYF4:Gd3+/Tb3+ phosphor crystals are strongly dependent on the crystallite size and morphology. This study would be suggestive for the precisely controlled growth of inorganic crystals; consequently, it will open new avenues and thus may possess potential applications in the field of materials and biological sciences.}, issn = {2470-1343}, doi = {10.1021/acsomega.7b01947}, author = {Malik, M. and Padhye, P. and Poddar, P.} } @article {44490, title = {Greener L-lactic acid production through in situ extractive fermentation by an acid-tolerant Lactobacillus strain}, journal = {Applied Microbiology and Biotechnology}, year = {2018}, month = {MAY}, abstract = {Lactic acid (LA) fermentation requires a neutralizer for a physiologically acceptable range. However, a neutralizer generates a large amount of gypsum, an environmental pollutant. Furthermore, the downstream processing is complicated and expensive, comprising 50{\textendash}70\% of the total cost. We previously developed a Lactobacillus delbrueckii FM1, which can produce undissociated LA without neutralizer. Here, we improved FM1 by adaptive evolution at pH 4.5, which generated Adp FM1 showing an ~ 1.80-fold increase in LA production compared to FM1. The LA production via fed-batch fermentation yielded 36.2 g/L of LA, with a productivity of 0.500 g/L/h. However, cell viability was reduced due to the acidic pH and/or end-product inhibition. Therefore, an in situ LA recovery process using an extractive solvent was employed to maintain cell viability. Adp FM1 produced 49.2 g/L of LA via in situ LA-extractive fed-batch fermentation, which was ~ 1.4-fold higher than that without LA extraction. Adp FM1 provided a total LA productivity of 0.512 g/L/h in 96 h. Among the tested strains, Adp FM1 exhibited the highest H$^{+}$-ATPase activity and a 415-fold increase in H$^{+}$-ATPase gene expression compared to the parent strain. These results suggest that the in situ LA extractive fermentation process will ease downstream processing and prove to be a more economical and environmentally friendly option compared to the present fermentation. To our knowledge, this is the first report on the production of undissociated L-LA by Lactobacillus using an in situ recovery process, with high LA production levels and productivity.}, doi = {10.1007/s00253-018-9084-4}, author = {Singhvi, Mamata S. and Zendo, Takeshi and Gokhale, Digambar and Sonomoto, Kenji} } @article {45455, title = {Harnessing nucleophilicity of allenol ester with p-quinone methides via gold catalysis: application to the synthesis of diarylmethine-substituted enones}, journal = {Journal of Organic Chemistry}, volume = {83 }, year = {2018}, month = {AUG}, pages = {9353-9363}, type = {Article}, abstract = {A gold(I)-catalyzed protocol for intermolecular 1,6-conjugate addition of nucleophilic allenol ester generated in situ through [3,3]-sigmatropic rearrangement with p-quinone methides (p-QMs) has been developed. The gold catalyst plays a dual role by the pi-acid-triggered activation of alkynes and at the same time as a Lewis acid for activation of p-QMs toward nucleophilic attack. This method enables rapid access to a wide range of densely functionalized diarylmethine-substituted enones, a Morita-Baylis-Hillman (MBH) product with high selectivity, excellent yields, and broad substrate scope.}, doi = {10.1021/acs.joc.8b01294}, author = {Sharma, Brijesh M. and Rathod, Jayant and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {44212, title = {Harnessing visible-light and limited near-IR photons through plasmon effect of gold nanorod with AgTiO2}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {JAN }, pages = {1206-1214}, type = {Article}, abstract = {
The utilization of the red-green-blue (RGB) and limited near-IR photons for solar hydrogen evolution (SHE) has been reported in a single plasmonic nanocomposite. Present study describes the use of AgTiO2 (AgT) decorated with Au nanorods (AgT-AuNR) to enhance the absorption of entire visible-light and limited near-IR wavelength range in the sunlight for SHE from photocatalytic water splitting reaction. It is demonstrated that the longitudinal plasmon resonance of AuNR in AgT-AuNR induces SHE between 550 and 800 nm, whereas TiO2-AuNR or AgT shows no activity in this wavelength range. The key aspect of achieving the high photocatalytic activity of AgT-AuNR in the solar spectrum is the electronic integration among metal NPs as well as with TiO2, and the heterojunctions among them. Presence of such heterojunctions has been supported by different characterization studies. However, gold nanorod exhibits field effect and further enhances light harvesting. Although the absolute amount of energy harvested only from near-IR photons is low, when combined with high-energy visible-light photons within one sun conditions, it shows a multiplier effect rather than a simple additive effect. Likely, this is the first report, where SHE has been achieved with significant amount of light absorption at lambda \>= 550 nm with a plasmonic nanocomposite.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b10289}, author = {Patra, Kshirodra Kumar and Gopinath, Chinnakonda S.} } @article {44492, title = {Helically structured peptide architecture engineered using dimedone as a rigid organic scaffold}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAR}, pages = {2776-2780}, abstract = {This communication reports the use of a rigid organic scaffold to attach two unsymmetrical peptide chains on a single carbon atom. The approach describes the step-by-step attachment of peptide chains to the rigid dimedone template (5,5-dimethyl-1,3-cyclohexanedione) - a molecular scaffold that directs orientation of the peptide helices in a well-defined arrangement via intra-molecular hydrogen bonding. The overall topology of the final molecules was studied using CD spectroscopy which suggested existence of helical architecture.}, doi = {10.1002/slct.201702856}, author = {Nadimpally, Krishna C. and Madica, Krishnaprasad and Kotmale, Amol S. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {44493, title = {High and reversible lithium ion storage in self-exfoliated triazole-triformyl phloroglucinol-basedcovalent organic nanosheets}, journal = {Advanced Energy Materials}, volume = {8}, year = {2018}, month = {MAR}, pages = {Article Number: 1702170}, abstract = {Covalent organic framework (COF) can grow into self-exfoliated nanosheets. Their graphene/graphite resembling microtexture and nanostructure suits electrochemical applications. Here, covalent organic nanosheets (CON) with nanopores lined with triazole and phloroglucinol units, neither of which binds lithium strongly, and its potential as an anode in Li-ion battery are presented. Their fibrous texture enables facile amalgamation as a coin-cell anode, which exhibits exceptionally high specific capacity of approximate to 720 mA h g(-1) (@100 mA g(-1)). Its capacity is retained even after 1000 cycles. Increasing the current density from 100 mA g(-1) to 1 A g(-1) causes the specific capacity to drop only by 20\%, which is the lowest among all high-performing anodic COFs. The majority of the lithium insertion follows an ultrafast diffusion-controlled intercalation (diffusion coefficient, D-Li(+) = 5.48 x 10(-11) cm(2) s(-1)). The absence of strong Li-framework bonds in the density functional theory (DFT) optimized structure supports this reversible intercalation. The discrete monomer of the CON shows a specific capacity of only 140 mA h g(-1) @50 mA g(-1) and no sign of lithium intercalation reveals the crucial role played by the polymeric structure of the CON in this intercalation-assisted conductivity. The potentials mapped using DFT suggest a substantial electronic driving-force for the lithium intercalation. The findings underscore the potential of the designer CON as anode material for Li-ion batteries.}, doi = {10.1002/aenm.201702170}, author = {Haldar, Sattwick and Roy, Kingshuk and Nandi, Shyamapada and Chakraborty, Debanjan and Puthusseri, Dhanya and Gawli, Yogesh and Ogale, Satishchandra and Vaidhyanathan, Ramanathan} } @article {44634, title = {High surface area nanoporous carbon derived from high quality jute from Bangladesh}, journal = {Materials Chemistry and Physics}, volume = {216}, year = {2018}, month = {SEP}, pages = {491-495}, type = {Article}, abstract = {
We report an economically viable and environment-friendly strategy for the preparation of nanoporous carbon (NC) from jute which is one of the most abundant natural fibers produced in Bangladesh and some South Asian countries. Nitrogen adsorption-desorption isotherms, X-ray diffraction, Raman spectroscopy, UV spectroscopy, and scanning/transmission electron microscopy were performed to characterize the obtained NC. Three different types of jute-derived NCs have been synthesized at three different temperatures, 700 degrees C, 800 degrees C and 900 degrees C. The NC prepared at 800 degrees C resulted in a high surface area (981 m(2) g(-2)) and was associated with the retention of the original fibrous shapes. This study shows a promising future for jute as a natural precursor for NCs for a myriad of applications ranging from water purification to gas separation to energy conversion and storage.
}, keywords = {Adsorbents, Graphitization, Jute, Nanoporous carbons, porous materials}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2018.05.082}, author = {Khan, Junayet Hossain and Lin, Jianjian and Young, Christine and Matsagar, Babasaheb M. and Wu, Kevin C. W. and Dhepe, Paresh L. and Islam, Md Tofazzal and Rahman, Md Mahbubur and Shrestha, Lok Kumar and Alshehri, Saad M. and Ahamad, Tansir and Salunkhe, Rahul R. and Kumar, Nanjundan Ashok and Martin, Darren J. and Yamauchi, Yusuke and Hossain, Md Shahriar A.} } @article {45558, title = {High yield production of cellulose by a komagataeibacter rhaeticus PG2 strain isolated from pomegranate as a new host}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {AUG}, pages = {29797-29805}, type = {Article}, abstract = {Gluconacetobacter xylinus is a well-known organism that produces bacterial cellulose (BC). The present study was undertaken to find an alternative bacteria from a collection of 216 bacterial isolates, which were isolated from different rotten fruits and fermented beverages, to find a better producer of bacterial cellulose. We obtained a potent strain, which produced a high yield of BC from a rotten pomegranate sample, and was further identified as Komagataeibacter rhaeticus strain PG2 using 16S rRNA gene sequence analysis. To date, only two strains of Komagataeibacter rhaeticus are known to produce BC, and these were mainly isolated from a fermented beverage, kombucha. For the first time, we have isolated a BC producing Komagataeibacter rhaeticus strain PG2 from a rotten pomegranate sample. The new host environment and the substrate utilization pattern of strain PG2 reveal efficient bacterial cellulose production. Hestrin{\textendash}Schramm (HS) liquid media containing glycerol as a carbon source resulted in the highest BC production (\~{}6.9 g L-1). A further increased yield of BC (\~{}8.7 g L-1) was obtained by using 3\% (w/v) glycerol concentration, and this BC yield is the highest reported among any of the known Komagataeibacter rhaeticus strains reported. A detailed physico-chemical characterization of the BC membrane obtained from glycerol (Gly-BC) and glucose (Glc-BC) was performed. Interestingly, Gly-BC is found to be more compact and more crystalline in its nature compared to Glc-BC. The present study reveals the isolation of an efficient BC synthesizing strain using glycerol as a low-cost carbon source, confirming the economic feasibility of BC production. The structural characteristics of the BC membrane produced by glycerol were found to be more suitable for various applications.}, doi = {10.1039/c8ra05295f}, author = {Thorat, M.N. and Dastager, S.G.} } @article {44655, title = {Highly diverged novel subunit composition of apicomplexan F-type ATP synthase identified from Toxoplasma gondii}, journal = {Plos Biology}, volume = {16}, year = {2018}, month = {JUL}, pages = {e2006128}, type = {Article}, abstract = {
The mitochondrial F-type ATP synthase, a multisubunit nanomotor, is critical for maintaining cellular ATP levels. In T. gondii and other apicomplexan parasites, many subunit components necessary for proper assembly and functioning of this enzyme appear to be missing. Here, we report the identification of 20 novel subunits of T. gondii F-type ATP synthase from mass spectrometry analysis of partially purified monomeric (approximately 600 kDa) and dimeric (\> 1 MDa) forms of the enzyme. Despite extreme sequence diversification, key F-O subunits a, b, and d can be identified from conserved structural features. Orthologs for these proteins are restricted to apicomplexan, chromerid, and dinoflagellate species. Interestingly, their absence in ciliates indicates a major diversion, with respect to subunit composition of this enzyme, within the alveolate clade. Discovery of these highly diversified novel components of the apicomplexan F-type ATP synthase complex could facilitate the development of novel antiparasitic agents. Structural and functional characterization of this unusual enzyme complex will advance our fundamental understanding of energy metabolism in apicomplexan species.
}, issn = {1545-7885}, doi = {10.1371/journal.pbio.2006128}, author = {Salunke, Rahul and Mourier, Tobias and Banerjee, Manidipa and Pain, Arnab and Shanmugam, Dhanasekaran} } @article {45517, title = {Highly efficient field emission properties of radially aligned carbon nanotubes}, journal = {Journal of Materials Chemistry C}, volume = {6}, year = {2018}, month = {MAY}, pages = {6584-6590}, type = {Article}, abstract = {Here, we report extraordinary field emission properties from one pot synthesized aligned carbon nanotubes endowed with related Fe nanoparticles (NPs). The CNT configuration is in the form of a carbon hollow cylinder (CHC) with CNTs radially aligned towards the CHC axis. The structure generates electron field emission properties such as an ultralow turn on field (0.35 V μm-1 at 10 μA cm-2), a low threshold field (0.41 V μm-1 at 100 μA cm-2) and a high field emission current density (7.71 mA cm-2 at 0.78 V μm-1). It also exhibits multi-fold improvement in the field enhancement factor (1.34 {\texttimes} 104) with highly stable current emission at 100 μA measured for 14 h. No post synthesis treatment is required for enhanced field emission characteristics. The growth related Fe NPs assist in lowering the work function and hence enhancing the field emission properties. The possibility of assembling nano-structured field emitters into macroscale architectures suggests new prospects for next generation three dimensional electron sources.}, doi = {10.1039/c8tc00814k}, author = {Tripathi, P. and Gupta, B.K. and Bhatnagar, A and Patel, C.R.P and Banker, P.K. and Late, D.J. and More, M.A. and Lalla, N.P. and Phase, D.M., and Choudhary, R.J. and Shaz, M.A. and Ajayan, P.M. and Srivastava, O.N.} } @article {45548, title = {Highly reactive crystalline-phase-embedded strontium-bioactive nanorods for multimodal bioactive applications}, journal = {Biomaterials Science}, volume = {6}, year = {2018}, month = {JUL}, pages = {1764-1776}, type = {Article}, abstract = {In the present work, a crystallization-induced strontium-bioactive material, with a composition similar to Bioglass 45S5 system, was obtained using a sol-gel-assisted microwave method with nanorod morphologies of 30-80 nm in size. The effect of crystallization induced in the glass network, and its influence on the bioactivity and mechanical properties of bone and dentin regeneration, were the main novel findings of this work. Rietveld analysis of X-ray diffraction spectra showed the best fit with sodium (combeite, Na2Ca2Si3O9) and calcium (clinophosinaite, Ca2Na6O14P2Si2; calcium strontium silicate, Ca1.5O4SiSr0.5; and calcium carbonate, CaCO3) enriched crystal systems. Multinuclear solid-state NMR studies provided detailed atomistic insight into the presence of crystalline mineral phases in the bioactive material. The dentin matrix and antibacterial studies showed good results for 5\% strontium-substituted calcium compared with basic 45S5 composition due to its smaller particle size (30 nm), which suggested applications to dentin regeneration. Simulation studies have been demonstrated with clinophosinaite crystal data from the XRD spectra, with the glycoprotein salivary metabolites also showing that 5\% strontium-substituted calcium has a higher binding affinity for the salivary compound, which is suitable for dentin regeneration applications. In vitro apatite formation studies showed that this material is suitable for bone regeneration applications.}, issn = {20474830}, doi = {10.1039/c8bm00362a}, author = {Durgalakshmi, D. and Ajay Rakkesh, R. and Kesavan, M. and Ganapathy, S. and Ajithkumar, T.G. and Karthikeyan, S. and Balakumar, S.} } @article {44496, title = {Highly selective aqueous phase hydrogenation of phenols over nanostructured RuO2 on MCM-41 catalysts}, journal = {Nano-Structures \& Nano-Objects }, volume = {13}, year = {2018}, month = {FEB}, pages = {36-43}, abstract = {Selective aqueous phase hydrogenation of phenol as well as its derivatives is important for the synthesis of chemical intermediates which are crucial for the manufacture of high-tonnage commodities and a multitude of value added platform chemicals. Herein, we report a facile catalyst made of highly dispersed small RuO2 nanoparticles supported on mesoporous MCM-41 using one-pot approach. The optimal 5RuO2-MCM-41 catalyst with particle size 6-8 nm showed excellent activity and selectivity in aqueous phase hydrogenation of phenol and other functionalized substrates, which are building blocks of lignin, to corresponding cyclohexanol products without any additives. These catalysts showed better stability and can be reused several times without any significant drop in activity which proves the heterogeneity of the immobilized oxide catalyst.}, doi = {10.1016/j.nanoso.2017.11.004}, author = {Betsy, K. J. and Lazar, Anish and Vinod, C. P.} } @article {45385, title = {Highly stable COF-supported Co/Co(OH)(2) nanoparticles heterogeneous catalyst for reduction of nitrile/nitro compounds under mild conditions}, journal = {Small}, volume = {14}, year = {2018}, month = {SEP}, type = {Article}, abstract = {Ordered nanoporosity in covalent organic framework (COF) offers excellent opportunity for property development. Loading nanoparticles (nPs) onto them is one approach to introducing tailor-made properties into a COF. Here, a COF-Co/Co(OH)(2) composite containing about 16 wt\% of <6 nm sized Co/Co(OH)(2) nPs is prepared on a N-rich COF support that catalyzes the release of theoretical equivalence of H-2 from readily available, safe, and cheap NaBH4. Furthermore, the released H-2 is utilized for the hydrogenation of nitrile and nitro compounds to amines under ambient conditions in a facile one-pot reaction. The COF "by choice" is built from "methoxy" functionalized dialdehydes which is crucial in enabling the complete retention of the COF structure under the conditions of the catalysis, where the regular Schiff bonds would have hydrolyzed. The N-rich binding pockets in the COF ensure strong nP-COF interactions, which provides stability and enables catalyst recycling. Modeling studies reveal the crucial role played by the COF in exposing the active facets and thereby in controlling the activation of the reducing agent. Additionally, via density functional theory, we provide a rational explanation for how these COFs can stabilize nanoparticles which grow beyond the limiting pore size of the COF and yet result in a truly stable heterogeneous catalyst - a ubiquitous observation. The study underscores the versatility of COF as a heterogeneous support for developing cheap and highly active nonnoble metal catalysts.}, doi = {10.1002/smll.201801233}, author = {Mullangi, Dinesh and Chakraborty, Debanjan and Pradeep, Anu and Koshti, Vijay and Vinod, Chathakudath P. and Panja, Soumendranath and Nair, Sunil and Vaidhyanathan, Ramanathan} } @article {44233, title = {High-performance field emission device utilizing vertically aligned carbon nanotubes-based pillar architectures}, journal = {AIP Advances}, volume = {8}, year = {2018}, month = {JAN}, pages = {015117}, type = {Article}, abstract = {
The vertical aligned carbon nanotubes (CNTs)-based pillar architectures were created on laminated silicon oxide/silicon (SiO2/Si) wafer substrate at 775 degrees C by using water-assisted chemical vapor deposition under low pressure process condition. The lamination was carried out by aluminum (Al, 10.0 nm thickness) as a barrier layer and iron (Fe, 1.5 nm thickness) as a catalyst precursor layer sequentially on a silicon wafer substrate. Scanning electron microscope (SEM) images show that synthesized CNTs are vertically aligned and uniformly distributed with a high density. The CNTs have approximately 2-30 walls with an inner diameter of 3-8 nm. Raman spectrum analysis shows G-band at 1580 cm(-1) and D-band at 1340 cm(-1). The G-band is higher than D-band, which indicates that CNTs are highly graphitized. The field emission analysis of the CNTs revealed high field emission current density (4mA/cm(2) at 1.2V/mu m), low turn-on field (0.6 V/mu m) and field enhancement factor (6917) with better stability and longer lifetime. Emitter morphology resulting in improved promising field emission performances, which is a crucial factor for the fabrication of pillared shaped vertical aligned CNTs bundles as practical electron sources. (c) 2018 Author(s).
}, issn = {2158-3226}, doi = {10.1063/1.5004769}, author = {Gupta, Bipin Kumar and Kedawat, Garima and Gangwar, Amit Kumar and Nagpal, Kanika and Kashyap, Pradeep Kumar and Srivastava, Shubhda and Singh, Satbir and Kumar, Pawan and Suryawanshi, Sachin R. and Seo, Deok Min and Tripathi, Prashant and More, Mahendra A. and Srivastava, O. N. and Hahm, Myung Gwan and Late, Dattatray J.} } @article {45373, title = { Homo- and heterodimeric dyes for dye-sensitized solar cells: panchromatic light absorption and modulated open circuit potential}, journal = {ChemPlusChem}, volume = {83}, year = {2018}, month = {NOV}, pages = { 998-1007}, type = {Article}, abstract = {The design of dyes for panchromatic light absorption has attracted much attention in the field of dye-sensitized solar cells (DSSCs). An approach to enhance panchromatic light absorption utilizes mixtures of complementary light-absorbing dyes as well as dyes with specific anchoring groups that facilitate interfacial charge transfer with TiO2. Dipole-dipole interactions between the dye molecules on the surface broaden the spectrum, which results in decreased DSSC device performance. However, controlled aggregation of dyes results in broadening the spectral profile along with enhanced photocurrent generation. To control the dye-dye interaction, dimeric dyes with different dipole lengths D-1-D-sq, D-sq-D(sq)were systematically designed and synthesized. The photophysical and electrochemical properties were evaluated and the E-HOMO and E-LUMO levels were determined; these energy levels determines the electron injection from E-LUMO of the dye to E-CB of TiO2 and regeneration of oxidized dye by the electrolyte, respectively. The absorption spectra of D-sq-D-sq, D-1-D-sq were broadened in solution compared to model dye D-sq; this indicates that the dye-dye interaction is prominent in solution. In D-1-D-sq excitation energy transfer between photoexcited D-1 and D-sq was explained by using Forster resonance energy transfer (FRET). The homodimeric dye showed a device performace of 2.8 \% (V-oc 0.607, J(sc) 6.62 mA/cm(2), ff 69.3 \%),whereas the heterodimeric dye D-1-D-sq showed a device performance of 3.9 \% (V-oc 0.652 V, J(sc) 8.89 mA/cm(2), ff 68.8 \%). The increased photocurrent for D-1-D(sq)is due to the panchromatic IPCE response compared to D-sq-D-sq. The increased V(oc)is due to the effective passivation of the TiO2 surface by the spirolinker, and the effective dipole moment that shifts the conduction band on TiO2. Hence, the open circuit potential, V-oc, for the devices prepared from D-sq, D-1-D-sq and D-sq-D(sq)were systematically modulated by controlling the intermolecular pi-pi and intramolecular dipole-dipole interactions of the dimeric dyes.}, issn = { 2192-6506}, doi = {10.1002/cplu.201800450}, author = {Sil, Manik Chandra and Sudhakar, Vediappan and Singh, Ambarish Kumar and Kavungathodi, Munavvar Fairoos Mele and Nithyanandhan, Jayaraj} } @article {45404, title = { HPW anchored Meso-HZ-5, a novel catalyst for selective synthesis of ethyl levulinate biofuel by alcoholysis of biomass-derived furfuryl alcohol}, journal = {Environmental Progress \& Sustainable Energy}, volume = {37}, year = {2018}, month = {SEP}, pages = {1736-1742}, type = {Article}, abstract = {Ethanolysis of biomass derived furfuryl alcohol (FA) produces ethyl levulinate (EL), a biofuel additive and precursor for -valerolactone synthesis. The present study is devoted to develop an efficient and an environmentally benign catalytic system for one-pot conversion of FA to EL biofuel, by revealing an insight of the catalytic mechanism. The catalytic activity of H-ZSM-5, Meso-HZ-5 (desilicated H-ZSM-5) and different percentage H3PW12O40(HPW) anchored to Meso-HZ-5 catalysts have been evaluated for the FA ethanolysis. As per our knowledge, this is the first research reporting the application of HPW anchored to Meso-HZ-5 catalysts for the conversion of FA into EL in biomass utilization. These catalysts were synthesized and characterized by Powder X-ray diffraction (XRD), N-2 physisorption and temperature programmed NH3 desorption (TPAD). Products of FA ethanolysis viz., 4,5,5-triethoxypentan-2-one (TEP), ethoxy-methyl- furan (EMF), diethyl ether (DEE), EL were identified by Gas Chromatography-Mass Spectroscopy (GC-MS) and quantified by flame ionization detector (GC-FID). The physicochemical properties of catalysts were found to correlate to the product distribution matrix. Moreover, influences of several process parameters such as catalyst amount, reactant molar ratio, temperature and time on the extent of FA ethanolysis were systematically investigated. Under optimized conditions, 15\% (w/w) HPW/Meso-HZ-5 exhibited a remarkable catalytic performance with complete FA conversion (100\%) along with 97\% yield of EL, these activity values are superior than the previously reported studies. The present study provides an insight of the catalytic mechanism along with a potential environmental benign and the economic catalyst for the efficient synthesis of EL biofuel from the biomass-derived FA}, doi = { 10.1002/ep.12822}, author = {Nandiwale, Kakasaheb Y. and Pande, Ashwini M. and Bokade, Vijay V.} } @article {45534, title = {HPW anchored Meso-HZ-5, a novel catalyst for selective synthesis of ethyl levulinate biofuel by alcoholysis of biomass-derived furfuryl alcohol}, journal = {Environmental progress and sustainable energy}, volume = {37}, year = {2018}, month = {NOV}, pages = {1736-1742}, type = {Article}, abstract = {thanolysis of biomass derived furfuryl alcohol (FA) produces ethyl levulinate (EL), a biofuel additive and precursor for γ-valerolactone synthesis. The present study is devoted to develop an efficient and an environmentally benign catalytic system for one-pot conversion of FA to EL biofuel, by revealing an insight of the catalytic mechanism. The catalytic activity of H-ZSM-5, Meso-HZ-5 (desilicated H-ZSM-5) and different percentage H3PW12O40(HPW) anchored to Meso-HZ-5 catalysts have been evaluated for the FA ethanolysis. As per our knowledge, this is the first research reporting the application of HPW anchored to Meso-HZ-5 catalysts for the conversion of FA into EL in biomass utilization. These catalysts were synthesized and characterized by Powder X-ray diffraction (XRD), N2 physisorption and temperature programmed NH3 desorption (TPAD). Products of FA ethanolysis viz., 4,5,5-triethoxypentan-2-one (TEP), ethoxy-methyl- furan (EMF), diethyl ether (DEE), EL were identified by Gas Chromatography-Mass Spectroscopy (GC-MS) and quantified by flame ionization detector (GC-FID). The physicochemical properties of catalysts were found to correlate to the product distribution matrix. Moreover, influences of several process parameters such as catalyst amount, reactant molar ratio, temperature and time on the extent of FA ethanolysis were systematically investigated. Under optimized conditions, 15\% (w/w) HPW/Meso-HZ-5 exhibited a remarkable catalytic performance with complete FA conversion (100\%) along with 97\% yield of EL, these activity values are superior than the previously reported studies. The present study provides an insight of the catalytic mechanism along with a potential environmental benign and the economic catalyst for the efficient synthesis of EL biofuel from the biomass-derived FA.}, issn = {1944-7450}, doi = {10.1002/ep.12822}, author = {Nandiwale, Kakasaheb Y. and Pande, Ashwini M. and Bokade, Vijay V.} } @article {44213, title = {HxZr3-xPW12O40 as an insoluble and reusable heteropolyacid for highly selective dehydration of fructose to 5-hydroxymethyl fufural in DMSO system}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {JAN}, pages = {832-836}, type = {Article}, abstract = {Dehydration of fructose is a way to produce an important platform chemical such as 5-hydroxymethylfurfural (HMF) which is widely used to synthesize variety of renewable chemicals and fuel. Heteropoly acid, H3PW12O40 is highly soluble strong acidic catalyst with well-defined structure. This study reports the modification of soluble heteropoly acid to insoluble and reusable heteropolyacid (HxZr3-xPW12O40 ) by exchanging with Zr and investigation of its catalytic performance in selective transformation of renewable fructose to 5-HMF in Dimethyl sulfoxide (DMSO) system. The physico-chemical properties of H(x)Zr(3-x)PW(12)O(40)were derived from Powder-XRD, NH3-TPAD and FT-IR technique. The characterization of HxZr3-xPW12O40 revealed that the Keggin structure of HPA remained intact as proton replaced by Zr. The partial exchange of Zr in H2Zr1PW12O40 catalyst resulted in an increase in acidity, however further increase of Zr above 1, acidity was found to be decreased. At optimized reaction condition, 5-HMF yield of 85\% with 100\% selectivity was achieved with H1Zr2 PW12O40 catalyst at much lower reaction time of 10 min than reported. The catalyst was observed to be recoverable, reusable as compared to parent H3PW12O40.}, doi = {10.1002/slct.201702669}, author = {Mulik, Nagesh L. and Niphadkar, Prashant S. and Pandhare, Kiran V. and Bokade, Vijay V.} } @article {45457, title = {Hydrogen bonding assissted supramolecular metal catalysis}, journal = {Chemistry - an Asian Journal }, volume = {13}, year = {2018}, month = {DEC}, pages = {3623-3646}, type = {Article }, abstract = {The process of catalyst screening and discovery still largely relies on traditional ligand-design approaches, which suffer from complex synthetic requirements and offer limited structural diversity. On the contrary, supramolecular chemistry offers the potential to harness multiple weak secondary interactions to deliver self-assembled catalysts with diverse structures or to orient substrates to achieve enzyme-like activity and selectivity. Herein, the application of hydrogen-bonding (H-bonding) interactions as a construction element and directing group in "supramolecular transition-metal catalysis" is critically reviewed and the current state-of-the-art in the field is presented. H-bonding interactions empower structurally simple ligands to deliver complex self-assembled catalysts, which have been found to catalyze a gamut of organic transformations, including hydroformylation, hydrogenation, and allylation reactions. As we will discuss, on many occasions, these supramolecular catalysts outperform their analogous covalently linked catalytic systems. The potential of H-bonding interactions as directing groups has recently been recognized by the scientific community and this Focus Review presents the role of hydrogen-bonding interactions in directing substrates to obtain excellent selectivities and activities in a range of catalytic transformations}, issn = { 1861-4728}, doi = { 10.1002/asia.201801302}, author = {Mote, Nilesh R. and Chikkali, Samir H.} } @article {45427, title = {Hydrogen-bonding-assisted supramolecular metal catalysis}, journal = {Chemistry-An Asian Journal}, volume = {13}, year = {2018}, month = {DEC}, pages = {3623-3646}, type = {Article}, abstract = {The process of catalyst screening and discovery still largely relies on traditional ligand-design approaches, which suffer from complex synthetic requirements and offer limited structural diversity. On the contrary, supramolecular chemistry offers the potential to harness multiple weak secondary interactions to deliver self-assembled catalysts with diverse structures or to orient substrates to achieve enzyme-like activity and selectivity. Herein, the application of hydrogen-bonding (H-bonding) interactions as a construction element and directing group in "supramolecular transition-metal catalysis" is critically reviewed and the current state-of-the-art in the field is presented. H-bonding interactions empower structurally simple ligands to deliver complex self-assembled catalysts, which have been found to catalyze a gamut of organic transformations, including hydroformylation, hydrogenation, and allylation reactions. As we will discuss, on many occasions, these supramolecular catalysts outperform their analogous covalently linked catalytic systems. The potential of H-bonding interactions as directing groups has recently been recognized by the scientific community and this Focus Review presents the role of hydrogen-bonding interactions in directing substrates to obtain excellent selectivities and activities in a range of catalytic transformations.}, issn = {1861-4728 }, doi = {10.1002/asia.201801302}, author = {Mote, Nilesh R. and Chikkali, Samir H.} } @article {44356, title = {Hydrothermal synthesis of rGO-PbBi2Se4 composite and investigation of its structural, chemical and field emission properties}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {29}, year = {2018}, month = {JUN}, pages = {10494-10503}, type = {Article}, abstract = {In the present study we report the one step facile synthesis of pristine lead bismuth selenide (PbBi2Se4) and reduced graphene oxide (rGO) and its composites with PbBi2Se4. Formation of pristine PbBi2Se4 and rGO-PbBi2Se4 composite were confirmed by X-ray diffraction and X-ray photoelectron spectroscopy. The surface morphology and topography investigated by using scanning electron microscopy and transmission electron microscopy revealed the formation of nano-flowers pristine PbBi2Se4. After coupling pristine PbBi2Se4 with rGO the surface morphology shows the formation of sharp vertically protruded nano-sheets/nano-flaks originated from the nano-flowers. Finally, the field emission properties of pristine PbBi2Se4 and rGO-PbBi2Se4 composite have been investigated. It has been observed that the rGO-PbBi2Se4 composite emitter exhibited excellent field emission properties with low turn-on field (similar to 2.8 V/A mu m for 10 A mu A/cm(2)), high emission current density (similar to 1288 A mu A/cm(2) at 3.9 V/A mu m) and superior current stability (similar to 4.5 h for similar to 1 A mu A) compare to pristine PbBi2Se4 emitter. Thus, the facile one step synthesis approach and robust nature of rGO-PbBi2Se4 composite emitter can provide prospects for the future development of large-area emitter applications such as flat-panel-display and vacuum micro/nanoelectronics devices.}, doi = {10.1007/s10854-018-9114-0}, author = {Aher, Rahul and Bhorde, Ajinkya and Sharma, Priyanka and Nair, Shruthi and Borate, Haribhau and Pandharkar, Subhash and Rondiya, Sachin and Chaudhary, Minakshi and Gopinath, Chinnakonda and Suryawanshi, Sachin and More, Mahendra and Jadkar, Sandesh} } @article {44350, title = {Hydrothermally synthesized fluorescent Zn2SnO4 nanoparticles for dye sensitized solar cells}, journal = {Dyes and Pigments}, volume = {154}, year = {2018}, month = {JUL}, pages = {303-313}, type = {Article}, abstract = {In this work, we have investigated the interaction of hydrothermally synthesized Zn2SnO4 (ZTO) nanoparticles (NPs) with two different commercial photo sensitizers such as N719 and N3 dye molecules and studied their performance in dye sensitized solar cells (DSSC). Interestingly, the ZTO NPs exhibited band edge emission in the mid UVA region and as a result possibility of enhanced light harvesting in the terminal UVA region was anticipated in the device due to the efficient energy transfer observed in case of the sensitizer N719 than N3. The dye sensitization property has been found to be higher for the N3 dye molecules than the N719 dye molecules as based on the time dependent dye loading study. The devices fabricated with ZTO-N719 exhibited improved photovoltaic performance compared to the ZTO-N3 based devices exhibiting an overall conversion efficiency of 2.56\% by the former compared to the later (1.90\%) under 1SUN 1.5AM illumination and sensitization for 12 h.}, doi = {10.1016/j.dyepig.2017.12.066}, author = {Das, Partha Pratim and Roy, Anurag and Agarkar, Shruti and Devi, Parukuttyamma Sujatha} } @article {44209, title = {Hydroxyl directed C-arylation: synthesis of 3-hydroxyflavones and 2-phenyl-3-hydroxy pyran-4-ones under transition-metal free conditions}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {JAN}, pages = {444-451}, type = {Article}, abstract = {
An efficient, transition-metal free and direct C-arylation of 3-hydroxychromone moieties in the presence of a base, air as an oxidant and arylhydrazines as arylating agents to furnish highly biologically active flavonols or 3-hydroxyflavones has been developed. We have further extended our methodology for the C-arylation of the 5-hydroxy pyran-4-one moiety. The role of the free hydroxyl group towards C-arylation has been delineated.
}, issn = {1477-0520}, doi = {10.1039/c7ob01929g}, author = {Paula, Sayantan and Bhattacharya, Asish K.} } @article {44497, title = {Identification of potent chromone embedded [1,2,3]-triazoles as novel anti-tubercular agents}, journal = {Royal Society Open Science}, volume = {5}, year = {2018}, month = {APR}, pages = {Article Number: 171750}, abstract = {A series of 20 novel chromone embedded [1,2,3]-triazoles derivatives were synthesized via an easy and convenient synthetic procedure starting from 2-hydroxy acetophenone. The in vitro anti-mycobacterial evaluation studies carried out in this work reveal that seven compounds exhibit significant inhibition against Mycobacterium tuberculosis H37Rv strain with MIC in the range of 1.56-12.5 mu g ml(-1). Noticeably, compound 6s was the most potent compound in vitro with a MIC value of 1.56 mu g ml(-1). Molecular docking and chemoinformatics studies revealed that compound 6s displayed drug-like properties against the enoyl-acyl carrier protein reductase of M. tuberculosis further establishing its potential as a potent inhibitor.}, doi = {10.1098/rsos.171750}, author = {Nalla, Viswanadh and Shaikh, Aslam and Bapat, Sanket and Vyas, Renu and Karthikeyan, M. and Yogeeswari, P. and Sriram, D. and Muthukrishnan, M.} } @article {44184, title = {Imido-P(V) trianion supported enantiopure neutral tetrahedral Pd(II) cages}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {FEB}, pages = {1873-1876}, type = {Article}, abstract = {
Charge-neutral chiral hosts are attractive due to their ability to recognize a wide range of guest functionalities and support enantio-selective processes. However, reports on such charge-neutral cages are very scarce in the literature. Here, we report an enantiomeric pair of tetrahedral Pd(II) cages built from chiral tris(imido) phosphate trianions and oxalate linkers, which exhibit enantioselective separation capabilities for epichlorohydrin, beta-butyrolactone, and 3-methyl- and 3-ethyl cyclopentanone.
}, issn = {1359-7345}, doi = {10.1039/c8cc00207j}, author = {Rajasekar, Prabhakaran and Pandey, Swechchha and Paithankar, Harshad and Chugh, Jeetender and Steiner, Alexander and Boomishankar, Ramamoorthy} } @article {44611, title = {Impact of half-crown/two carbonyl:-Ca2+ metal ion interactions of a low molecular weight gelator (LMWG) on its fiber to nanosphere morphology transformation with a gel-to-sol phase transition}, journal = {Soft Matter}, volume = {14}, year = {2018}, month = {JUL}, pages = {5821-5831}, abstract = {
We report here a smart functional low molecular weight gelator (LMWG) L, containing an unusual metal ion coordination site, i.e. {\textquoteleft}{\textquoteleft}half-crown/two carbonyl{\textquoteright}{\textquoteright}. The gelator L shows excellent gelation behavior with typical fibrillar morphology in acetonitrile, methanol and ethanol media. Upon Ca2+ ion binding with its {\textquoteleft}{\textquoteleft}half-crown/two carbonyl{\textquoteright}{\textquoteright} coordination site, the acetonitrile gel of L exhibits a fiber to nanosphere morphology transformation along with a gel-to-sol phase transition as confirmed by microscopic investigation and by direct naked eye visualization, respectively. The mechanism involved in this morphology transformation and gel-to-sol phase transition process was studied thoroughly with the help of computational calculations and various spectroscopic experiments and discussed.
}, issn = {1744-683X}, doi = {10.1039/c8sm01071d}, author = {Maity, Arunava and Dey, Ananta and Si, Mrinal Kanti and Ganguly, Bishwajit and Das, Amitava} } @conference {44598, title = {Impact of stereochemistry on sharing chemical structures}, booktitle = {255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water}, year = {2018}, month = {MAR}, publisher = {ACS, 1155 16TH ST, NW, Washington, DC 20036 USA}, organization = {ACS, 1155 16TH ST, NW, Washington, DC 20036 USA}, address = {New Orleans, LA}, author = {Banik, Gregory and Karthikeyan, Muthukumarasamy and Nedwed, Karl and Kunitsky, Keith and D{\textquoteright}Souza, Michelle and Abshear, Ty} } @article {45590, title = {Impairing powerhouse in colon cancer cells by hydrazide{\textendash}hydrazone-based small molecule}, journal = {ACS omega }, volume = {3}, year = {2018}, month = {FEB }, pages = {1470{\textendash}1481}, type = {Article }, abstract = {Mitochondrion has emerged as one of the unconventional targets in next-generation cancer therapy. Hence, small molecules targeting mitochondria in cancer cells have immense potential in the next-generation anticancer therapeutics. In this report, we have synthesized a library of hydrazide{\textendash}hydrazone-based small molecules and identified a novel compound that induces mitochondrial outer membrane permeabilization by inhibiting antiapoptotic B-cell CLL/lymphoma 2 (Bcl-2) family proteins followed by sequestration of proapoptotic cytochrome c. The new small molecule triggered programmed cell death (early and late apoptosis) through cell cycle arrest in the G2/M phase and caspase-9/3 cleavage in HCT-116 colon cancer cells, confirmed by an array of fluorescence confocal microscopy, cell sorting, and immunoblotting analysis. Furthermore, cell viability studies have verified that the small molecule rendered toxicity to a panel of colon cancer cells (HCT-116, DLD-1, and SW-620), keeping healthy L929 fibroblast cells unharmed. The novel small molecule has the potential to form a new understudied class of mitochondria targeting anticancer agent.}, issn = {2470-1343}, doi = {10.1021/acsomega.7b01512}, author = {Patil, S. and Kuman, M. M. and Palvai, S. and Sengupta, P. and Basu, S.} } @article {44641, title = {Improved nonenzymatic glucose sensing properties of Pd/MnO2 nanosheets: synthesis by facile microwave-assisted route and theoretical insight from quantum simulations}, journal = {Journal of Physical Chemistry B}, volume = {122}, year = {2018}, month = {AUG}, pages = {7636-7646}, abstract = {
The electrocatalytic properties of manganese oxide (MnO2) can be improved significantly by making hybrids/composites with noble metals (Au, Pd). Here, efforts have been made to synthesize the MnO2/Au and MnO2/Pd nanocomposites by a facile, rapid microwave irradiation method. The products characterized by X-ray diffraction and transmission electron microscopy exhibited their tetragonal phase and nanosheet morphology. The efficiency of the prepared composite materials as glucose sensor was tested by cyclic voltammetry and chronoamperometry measurements, and the results are discussed. The study revealed that successful modification of MnO2 by Pd led to excellent sensing performance by the reduction of size and the synergistic effect between MnO2 and PdO, which expedites the electron transfer. Besides, the wide detection range, good selectivity, and stability demonstrate its robustness in the design of electrochemical sensor platform. To get theoretical insight into the excellent sensing performance of MnO2/Pd, we have performed detailed density functional theory simulations to explore the charge transfer and bonding mechanism of glucose on MnO2 and Pd/Au-doped MnO2 surface. Pd is bonded strongly on MnO2 and makes MnO2/Pd more conducting due to the enhancement of density of states near Fermi level. The higher binding energy of glucose and enhanced charge transfer from glucose to Pd-doped MnO2 compared to bare MnO2 infer that Pd-doped MnO2 possess superior charge-transfer kinetics, resulting in higher glucose sensing performance, which supports our experimental observations.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.8b01611}, author = {Ponnusamy, Rajeswari and Gangan, Abhijeet and Chakraborty, Brahmananda and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {44499, title = {Improved performance and reproducibility of perovskite solar cells by jointly tuning the hole transport layer and the perovskite layer deposition}, journal = {Journal of Materials Science Materials in Electronics}, year = {2018}, month = {MAY}, pages = {1-10}, abstract = {Solution processed organometal trihalide materials spur tremendous attention due to their unprecedented performance in photovoltaic applications. However, submicron thick perovskite films are prone to morphological defects in the form of cracks, pinholes and porosity; the traits originated from their solution phase processing and subsequent crystallization. Moreover, pinholes and cracks in the thin film of spincoated Spiro-OMeTAD hole transport layer reduce the performance reliability by forming micro shorts and weaken the defense against moisture ingress to the perovskite layer. For the large scale processing of perovskite solar cell from the economically prudent solution phase processing, morphological shortcomings of both perovskite and hole transport layers need an urgent address. By selecting non-conventional lead precursor (lead acetate) and implementing anti-solvent treatment during film deposition, we able to form pinhole free and compact perovskite film. Crack free hole conducting layer is obtained by blending Spiro-OMeTAD with a conducting polymer without compromising in the solar cell performance. A detail investigation of the charge transport and charge extraction properties of the developed hole transport layers have been carried out. The developed CH3NH3PbI3 based perovskite solar cells show improved repeatability and performance.}, doi = {10.1007/s10854-018-9382-8}, author = {Sharma, Ashish and Rath, Arup K.} } @article {44501, title = {Improved stability of tuberculosis drug fixed-dose combination using isoniazid-caffeic acid and vanillic acid cocrystal}, journal = {Journal of Pharmaceutical Sciences}, volume = {107}, year = {2018}, month = {JUN}, pages = {1667-1679}, abstract = {The classic fixed-dose combination (FDC) of 4 tuberculosis drugs, namely rifampicin (RIF), isoniazid (INH), pyrazinamide (PZA), and ethambutol dihydrochloride (EDH) has the twin issues of physical stability and RIF cross-reaction in the 4-FDC. The major reason for these quality issues is the interaction between RIF and INH to yield isonicotinyl hydrazone in drug tablets. Pharmaceutical cocrystals of INH with caffeic acid (CFA) (PZA + EDH + RIF + INH-CFA cocrystal) and vanillic acid (VLA) (PZA + EDH + RIF + INH-VLA cocrystal) are able to stabilize the FDC formulation compared with the reference batch (PZA + EDH + RIF + INH). Stability studies under accelerated humidity and temperature stress conditions of 40{\textdegree}C and 75\% relative humidity showed that the physical stability of the cocrystal formulation was superior by powder X-ray diffraction and scanning electron microscopy analysis, and chemical purity was analyzed by high-performance liquid chromatography. Changes in the composition and structure were monitored on samples drawn at 7, 15, 22, and 30 days of storage. FDC-INH-CFA cocrystal batch exhibited greater stability compared with FDC-INH-VLA cocrystal and FDC reference drug batches. The superior stability of INH-CFA cocrystal is attributed to the presence of stronger hydrogen bonds and cyclic O-H...O synthon in the crystal structure.}, doi = {10.1016/j.xphs.2018.02.014}, author = {Battini, Swapna and Mannava, M. K. Chaitanya and Nangia, Ashwini Kumar} } @article {45452, title = { In situ base release for pH maintenance can allow shake flasks to better mimic bioreactor performance for CHO cell culture}, journal = {Journal of Chemical Technology \& Biotechnology}, volume = {93}, year = {2018}, month = {OCT}, pages = {2842-2850}, type = {Article}, abstract = {BACKGROUNDShake flasks are widely used for evaluating mammalian cells in suspension. Lack of pH control can contribute to differences in culture performance between them and bioreactors. This study evaluates whether a previously reported in situ base releasing hydrogel (pHmH) to counter pH decrease can enable shake flask cultures to better mimic bioreactor cultures. RESULTSCompared with bioreactor culture, fed-batch cultures of a recombinant Chinese hamster ovary (CHO) cell-line in shake flasks without pHmH showed a decrease in pH to 6.6, accompanied by 40, 60 and 22\% lower peak cell density, lactate accumulation, and immunoglobulin G (IgG) titer, respectively. Use of pHmH allowed shake flasks to maintain pH above 6.8 and reduced this difference to 20, 30, and 15\%, respectively, thus enabling culture performance in shake flasks to better mimic the bioreactor. IgG glycosylation profiles were similar in identically fed cultures across all three platforms. Application of pHmH hydrogel during clone screening was evaluated by comparing correlation between titers for five recombinant CHO clones in bioreactors and shake flasks with and without pHmH; a higher correlation was found in shake flasks with pHmH than without. CONCLUSIONIn situ base release through hydrogel can allow identically fed fed-batch cultures in shake flasks to better mimic cell growth, lactate accumulation and IgG titers in bioreactors, without additional infrastructure. (c) 2018 Society of Chemical Industry.}, issn = {0268-2575}, doi = {10.1002/jctb.5635}, author = {Maralingannavar, Vishwanathgouda and Shenoy, Bharath R. and Hazarika, Jahnabi and Unnikrishnan, Divya and Prabhu, Anuja and Maity, Sunit and Gadgil, Mugdha} } @article {44635, title = {In situ nanoparticle embedding for authentication of epoxy composites}, journal = {Advanced Materials}, volume = {30}, year = {2018}, month = {AUG}, pages = {1801523}, abstract = {
In situ reduction of chloroauric acid inside an amine-cured epoxy matrix leads to formation of gold nanoparticles which are embedded inside the part. This phenomenon is leveraged to design an authentication system for composites wherein the particles are embedded spatially and are invisible to the naked eye. Under UV light, the particles diffract light and create an easily visible path. The particles penetrate inside the part and create a permanent, cost-effective, tamper-proof code. The advantage of this technique is that this authentication system can be built in composite parts after fabrication of the composite structure. As very small amount (nanograms) of particles are present in the part, negligible change in the thermal characteristics of the parent matrix is observed. The particles can be embedded easily in carbon fiber as well as glass fiber reinforced epoxy structures.
}, keywords = {authentication, barcoding, composites, embedded nanoparticles, Epoxy}, issn = {0935-9648}, doi = {10.1002/adma.201801523}, author = {Pansare, Amol V. and Khairkar, Shyam R. and Shedge, Amol A. and Chhatre, Shraddha Y. and Patil, Vishwanath R. and Nagarkar, Amit A.} } @article {44351, title = {In situ phase transformation synthesis of unique Janus Ag2O/Ag2CO3 heterojunction photocatalyst with improved photocatalytic properties}, journal = {Applied Surface Science}, volume = {445}, year = {2018}, month = {JUL}, pages = {555-562}, type = {Article}, abstract = {Herein, Ag2O/Ag2CO3 nanocomposite with unique Janus morphology was synthesized by a facile ion-exchange followed by an in situ phase transformation method with precise control of its nucleation and growth processes. Contrary to conventional synthetic procedures of Janus architectures, the present Janus system was constructed without the need for surfactants or toxic chemicals. Most importantly, the visible-light-absorbing Janus Ag2O/Ag2CO3 nanocomposite exhibits a remarkable performance toward the degradation of Rhodamine B and 4-chlorophenol, far superior to that observed for bare Ag2CO3. The obvious enhancement of the photocatalytic performance of this nanocomposite is mainly attributed to the intimate Ag2O/Ag2CO3 interface created by its exceptional Janus architecture, which in turn allows for rapid charge transfer processes. Additionally, the Janus system exhibited a high photostability during recycling experiments with no significant change in the degradation activity. (C) 2018 Published by Elsevier B.V.}, doi = {10.1016/j.apsusc.2018.03.194}, author = {Jo, Wan-Kuen and Kumar, Santosh and Yadav, Poonam and Tonda, Surendar} } @article {44234, title = {In situ synthesis of nitrogen- and sulfur-enriched hierarchical porous carbon for high-performance supercapacitor}, journal = {Energy \& Fuels}, volume = {32}, year = {2018}, month = {JAN}, pages = {908-915}, type = {Article}, abstract = {
In this work, we present a simple and facile method for the nitrogen (N)- and sulfur (S)- doped porous three-dimensional (3D) spongelike carbon materials via direct pyrolysis of N and S containing polymer N,N{\textquoteright}-methylene-bis-acrylamide cross-linked poly(acrylamide-co-2-acrylamido-2-methyl-1-propanesulfonic acid) at varying temperatures under inert atmosphere. The obtained nitrogen- and sulfur-doped porous carbons (NSPCs) possess 3D hierarchical porous structure and contain a significantly high amount of N and S species. The concurrent incorporation of N and S successfully modified the surface properties of carbon materials and lead to enhanced capacitive performance. The presented NSPC exhibits specific capacitance of 230 F g(-1) at a current density of 1 A g(-1) and showed excellent cycling stability, depicting a promising material for energy storage devices.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.7b02305}, author = {Mehare, Rupali S. and Ranganath, Suresha P. and Chaturvedi, Vikash and Badiger, Manohar. V. and Shelke, Manjusha V.} } @inbook {45573, title = {In vitro approaches for the improvement of eucalyptus}, booktitle = {Biotechnologies of Crop Improvement}, volume = {1}, year = {2018}, pages = {159-214}, publisher = {Springer }, organization = {Springer }, address = {Switzerland}, abstract = {
Eucalyptus is an economically important hardwood tree. The ever-increasing demand for Eucalyptus wood for industrial uses has necessitated better and faster methods of propagation of genetically superior trees with better qualities. Micropropagation has been considered as a potential method for the mass propagation of mature, difficult-to-propagate/difficult-to-root trees and natural hybrids resulting in the production of quality propagules for plantation forestry, afforestation programmes, etc. In vitro culture of Eucalyptus dates back to the 1960s with successful culture of juvenile tissue and eventually with mature tree-derived explants in the last few decades. Although mass propagation through axillary meristem proliferation has witnessed the success, the full potential of organogenesis and somatic embryogenesis is yet to be realized. These modes will have the wider application like cryopreservation, synseed development, somaclonal variation and genetic transformation. Clonal propagation of Eucalyptus is a commercial reality being practiced for large-scale multiplication of identified, superior clones and their field planting. The great potential of micropropagation for large-scale plant multiplication can be tapped by cutting down the cost of production per plant by reducing the unit cost of micropropagule and plant production without compromising the quality. With the ever increased rate in which the forest cover is getting disappeared from the earth, it is an urgent call to restore at least a few percentage of the lost plantation to avoid severe climatic changes.
}, isbn = {978-3-319-78282-9}, doi = {//doi.org/10.1007/978-3-319-78283-6}, author = {Kendurkar, S. V. and Rangaswamy, M.} } @article {44503, title = { In vitro propagation of Digitalis lanata Ehrh. through direct shoot regeneration - A source of cardiotonic glycosides}, journal = {Industrial Crops and Products}, volume = {121}, year = {2018}, month = {OCT}, pages = {313-319}, type = {Article}, abstract = {
An efficient method for the in vitro propagation of Digitalis lanata Ehrh. through direct organogenesis from leaf and petiole explants has been standardised. MS basal medium supplemented with cytokinins BAP, KIN, TDZ either alone or along with auxins IAA and NAA at different concentrations were tried. TDZ at 4.54 and 6.81 μmol/l were optimum for direct regeneration of shoots from leaf (4.4 {\textpm} 0.6 shoots/explant), and petiole (3.0 {\textpm} 0.8 shoots/explant) explants respectively. Among the various concentrations of auxins IAA, IBA and NAA tried for rooting, the best response occurred on MS basal medium supplemented with 17.13 μmol/l IAA. On greenhouse transfer about 60\% of the plantlets survived. In vitro raised plantlets were morphologically similar to mother plants. Cardiotonic glycosides digoxin and digitoxin were extracted by modified methods and estimated by HPLC. There were no significant differences in digoxin and digitoxin content in leaves of naturally grown and in vitro raised plants. The method for in vitro propagation of D. lanata through direct organogenesis from leaf and petiole explants reported here will be of great use for the rapid and large scale clonal propagation, production of biomass for extraction of cardiotonic glycosides, ex situ conservation, and improvement through conventional plant breeding and transgenic methods.
}, issn = { 0926-6690}, doi = {10.1016/j.indcrop.2018.05.019}, author = {Bhushan Bhusare and John, C. K. and Bhatt, V. P. and Nikam, T. D.} } @article {45411, title = {In vivo examination of folic acid-conjugated gold-silica nanohybrids as contrast agents for localized tumor diagnosis and biodistribution}, journal = {Bioconjugate Chemistry}, volume = { 29}, year = {2018}, pages = {4012-4019}, type = {DEC}, abstract = {Enhanced biocompatibility of nanosized contrast agent with high radiodensity and specific biodistribution is an important parameter for localized tumor imaging and organ safety. Various nanoparticles, especially gold nanorods (GNRs), have been applied for tumor diagnosis. However, their toxicity, nonspecific biodistribution, and easy aggregation are critical issues in cancer medicine. To avoid these issues, encapsulation of the GNRs in the core of nanoscopic mesoporous silica (MS) under ambient conditions, yielding multifunctional nanomaterials for cancer nanomedicine, is a recent and active development. Interestingly, GNR embedded MS nanohybrid (GNR-MS), though a promising material in nanomedicine, is rarely examined for tumor diagnosis, in vivo toxicity, organ safety, contrast ability, and excretion. Herein, we report a systematic in vivo examination of folic acid functionalized GNR-MS (GNR-MS-FA) for localized 4T1 breast tumor diagnosis, organ safety, and excretion using a one-time dose administration. The nanomaterials show good aqueous dispersibility, biocompatibility, high radiodensity, and tumor specific targeting ability (in vitro as well as in vivo). The in vivo tumor diagnosis and specific biodistribution of injected nanomaterials clearly demonstrates their potential for the visualization of tumors deep in the body of mice. In addition, all organs including the healthy glomerulus of the kidney are observed to be free of tissue injuries thereby indicating the superior biocompatibility of the nanomaterials.}, issn = {1043-1802}, doi = {10.1021/acs.bioconjchem.8b00522}, author = {Prasad, Rajendra and Agawane, Sachin B. and Chauhan, Deepak S. and Srivastava, Rohit and Selvaraj, Kaliaperumal} } @article {44106, title = {Incorporation of carbon nanofibers into a matrimid polymer matrix: effects on the gas permeability and selectivity properties}, journal = {Applied Polymer}, volume = {Volume 135, }, year = {2018}, month = {MAR}, type = {Journal Article}, chapter = {46019}, abstract = {
Composite membranes containing carbon nanofibers (CNFs) and Matrimid were prepared by a solution-casting method. Prepared Matrimid{\textendash}CNF composite membranes were characterized with X-ray diffraction, thermogravimetric analysis, differential scanning calorimetry, Fourier transform infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, and mechanical testing techniques. The mechanical properties of the composite membranes increased over that of the pristine polymeric membranes. To develop a broad fundamental understanding of the connection between the composite architecture and gas-transport properties, both the gas-permeability and gas-separation characteristics were evaluated. The gas-transport properties of the Matrimid{\textendash}CNF composite membrane was measured with a single gas-permeation setup (He, H2, N2, CH4\ and CO2) at ambient temperature with the variable-volume method. The incorporation of CNFs (0.5{\textendash}10 wt \%) into the Matrimid matrix resulted in approximately a 22\% reduction in the gas permeation of various gases, (H2, He, CO2, N2, and CH4). Moreover, an improvement of 1.5 times in the gas selectivity was observed for CO2/CH4, H2/CH4, He/CH4, and H2/N2\ compared to pristine polymeric membrane. Hence, such polymer{\textendash}CNF composite membranes could be suitable for gas-separation applications with high purity requirements. {\textcopyright} 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci.\ 2018,\ 135, 46019.
}, issn = {1097-4628}, doi = {10.1002/APP.46019}, author = {Dohade, Manisha} } @article {45372, title = {Indenoquinaldine-based unsymmetrical squaraine dyes for near-infrared absorption: investigating the steric and electronic effects in dye-sensitized solar cells}, journal = {Chemistry-A European Journal}, volume = {24}, year = {2018}, month = {NOV}, pages = {16368-16378}, type = {Article}, abstract = {A series of near-infrared (NIR)-responsive unsymmetrical squaraine dyes (ISQ1-3) incorporating a fused indenoquinaldine-based donor have been designed and synthesized. C-12 alkyl chains were incorporated at the sp(3)-hybridized carbon center of the indene unit of the indenoquinaldine in an out-of-plane orientation to control dye aggregation on the surface of titanium dioxide, and indole (ISQ1), benzo[e]indole (ISQ2), and quinoline (ISQ3) moieties were included as the donor component bearing the anchoring carboxy group to extend the absorption in the NIR region and to systematically study the effect of the electronic modification on the performance of dye-sensitized solar cells (DSSC). All the dyes exhibit intense absorption (epsilon >= 10(5) m(-1) cm(-1)) in the NIR region, and the dye-adsorbed TiO2 films exhibit broad panchromatic absorption. The incident photon-to-current efficiency (IPCE) spectrum of the ISQ3-based DSSC device displays a panchromatic IPCE response up to 880 nm. Additionally, the ISQ3-sensitized device provides the best efficiency of 4.15\% with a short circuit current density (J(SC)) of 10.02 mA cm(-2), open-circuit voltage (V-OC) of 0.58V, and fill factor (ff) of 72\% in the presence of 10 equivalents of 3 alpha,7 alpha-dihydroxy-5 beta-cholanic acid (CDCA). Electrochemical impedance spectroscopy analysis showed attenuated charge recombination in the ISQ3-sensitized DSSC, which contributes to its higher value of V-OC compared with the other dyes.}, issn = { 0947-6539}, doi = {10.1002/chem.201803062}, author = {Bisht, Rajesh and Kavungathodi, Munavvar Fairoos Mele and Nithyanandhan, Jayaraj} } @article {45412, title = {Influence of chain length of long-chain fatty acid surfactant on the thermal conductivity of magnetite nanofluids in a magnetic field}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {555}, year = {2018}, month = {OCT}, pages = {525-531}, type = {Article}, abstract = {
Stable magnetic nanofluids are prepared by dispersing long-chain fatty acid surfactants coated magnetite (Fe3O4) nanoparticles in toluene and investigated the effect of chain length of the surfactant molecules on the thermal conductivity of the magnetite nanofluids in a magnetic field. Superparamagnetic magnetite nanoparticles having a comparable particle size (similar to 10 nm) are coated with three different long-chain fatty acid surfactants; myristic acid (C13H27COOH), palmitic acid (C15H31COOH) and stearic acid (C17H35COOH). The thermal conductivity of the nanofluids, in a magnetic field, is found to decrease with increasing the chain length of the surfactant molecule. Among the three fluids, the shorter chain myristic acid coated nanofluid showed larger enhancement in the thermal conductivity at smaller fields as compared to the other fluids. The results indicated that the chain length of the surfactant molecule present on the surface of the magnetite nanoparticles affect the thermal conductivity of the magnetic nanofluid in an external magnetic field, due to the difference in the extent of interdigitation of the surfactant molecules.
}, issn = { 0927-7757}, doi = {10.1016/j.colsurfa.2018.07.034}, author = {Dadwal, Arun and Dadwal, Arun} } @article {44504, title = {Influence of silver nanoparticles morphologies on density, viscosity and thermal conductivity of silver nanofluids and silver ionanofluids}, journal = {Journal of Nanofluids}, volume = {7}, year = {2018}, month = {APR}, pages = {246-257}, abstract = {This paper explores the consequence of silver nanoparticles morphology (nanowires, nanoplates, and nanospheres) on density, viscosity and thermal conductivity of nanofluids and IoNanoFluids. Nuclear magnetic resonance spectroscopy results reveal that hydroxyl group in cation relates to silver nanoparticle surface of silver IoNanoFluid. Effect on bonding of silver nanoparticles after solvation in an ionic liquid was investigated with Infrared spectroscopy. UV-Visible spectroscopy analysis observed variations in color and optical properties of silver IoNanoFluids compared with nanofluids. Structural and morphological characterization of silver nanofluids and silver IoNanoFluids were carried out with Scanning electron microscopy and Transmission electron microscopy techniques. The presence of silver nanoparticles from the aqueous phase of nanofluids to viscous ionic liquid phase was confirmed by X-ray photoelectron spectroscopy and Energy dispersive analysis. The thermal stability study unveils that Choline bis(trifluromethylsulfonyl)imide ionic liquid, and its derived silver IoNanoFluids, are more stable than silver nanofluids. There was no considerable impact was observed for the silver nanoparticles morphology on the density of IoNanofluids. Moreover, two-dimensional silver structures raise the viscosity further compare to other two morphologies of silver nanoparticles in a base ionic liquid. Among all three studied morphologies, silver nanowires influence additional in the enhancement of thermal conductivity for silver nanofluids and IoNanoFluids. Enhanced thermal conductivity and reduced viscosity of silver nanowires based IoNanoFluid sorts this fluid as a potential heat transfer fluid.}, doi = {10.1166/jon.2018.1451}, author = {Patil, Virendra Sudam and Andry, Cera-Manjarres and Salavera, Daniel and Rode, Chandrashekhar Vasant and Patil, Kashinath R and Coronas, Alberto} } @article {44366, title = {Inositol to aromatics -benzene free synthesis of poly oxygenated aromatics}, journal = {Carbohydrate Research}, volume = {461}, year = {2018}, month = {MAY}, pages = {38-44}, type = {Article}, abstract = {A method for the preparation of benzene derivatives from myo-inositol, an abundantly available phyto chemical is described. 1,3-Bridged acetals of inososes undergo step-wise elimination leading to the formation of polyoxygenated benzene derivatives. This aromatization reaction proceeds through the intermediacy of a beta-alkoxyenone, which could be isolated. This sequence of reactions starting from myoinositol, provides a novel route for the preparation of polyoxygenated benzene derivatives including polyoxygenated biphenyl. This scheme of synthesis demonstrates the potential of myo-inositol as a sustainable non-petrochemical resource for aromatic compounds. (C) 2018 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.carres.2018.03.007}, author = {Gurale, Bharat P. and Shashidhar, Mysore S. and Sardessai, Richa S. and Gonnade, Rajesh G.} } @article {45413, title = { Integrated constraints based analysis of an engineered violacein pathway in escherichia coli}, journal = {Biosystems }, volume = {171}, year = {2018}, month = {SEP}, pages = {10-19}, type = {Article}, abstract = {Strategies towards optimal violacein biosynthesis, a potential drug molecule, need systems level coordination of enzymatic activities of individual genes in a multigene operon vioABCDE. Constraints-based flux balance analysis of an extended iAF1260 model (iAF1260vio) with a reconstructed violacein module predicted growth and violacein yields in Escherichia coli accurately. Shadow price (SP) analysis identified tryptophan metabolism and NADPH as limiting. Increased tryptophan levels in Delta pgi \& Delta pheA were validated using in silico gene deletion analysis. Phenotypic phase plane (PhPP) analysis highlighted sensitivity between tryptophan and NADPH for violacein synthesis at molar growth yields. A synthetic VioABCDE operon (SYNO) sequence was designed to maximize Codon Adaptive Index (CAI: 0.9) and tune translation initiation rates (TIR: 2-50 fold higher) in E. coli. All pSYN E. coli transformants produced higher violacein, with a maximum six-fold increase in yields. The rational design E. coli: Delta pheA SYN: gave the highest violacein titers (33.8 mg/I). Such integrated approaches targeting multiple molecular hierarchies in the cell can be extended further to increase violacein yields.}, doi = {10.1016/j.biosystems.2018.06.002}, author = {Immanuel, Selva Rupa Christinal and Banerjee, Deepanwita and Rajankar, Mayooreshwar P. and Raghunathan, Anu} } @article {45570, title = {Integrated electronic, optical, and structural features in pseudo-3D mesoporous TiO2{\textendash}X delivering enhanced dye-sensitized solar cell performance}, journal = {ACS omega}, volume = {3}, year = {2018}, month = {FEB}, pages = {1645 - 1652}, type = {Article }, abstract = {The performance of a dye-sensitized solar cell (DSSC) is strongly affected by optical, structural, and electronic features of a photoanode. In this article, meso-TiO2{\textendash}X was prepared by a solution combustion method and hydrogenation at high pressure. The properties of DSSCs with meso-TiO2{\textendash}X photoanodes were investigated by photocurrent{\textendash}voltage, incident photon-to-current conversion efficiency, and electrochemical impedance spectroscopy (EIS) measurements. The meso-TiO2{\textendash}X materials exhibit new electronic states and aided to absorb in the visible region because of the narrow band gap. Facile charge transfer from the N719 dye to the TiO2 photoanode was assisted by low-lying mid-gap states. Electrically integrated nanoparticles, with a small-channel mesoporous framework, facilitates fast charge transport across the material. Furthermore, EIS has shown that chemical capacitance, recombination resistance, and electron lifetime were affected by hydrogenation, thus indicating an effect on the photoanode material charge dynamics of DSSCs. An η of 7.2\% under AM 1.5G illumination is obtained and an improvement by 75.6\% over Degussa P25 titania. This is attributed to improved light harvesting and charge collection by the meso-TiO2{\textendash}X photoanode obtained via simple combustion synthesis.}, issn = {2470-1343}, doi = {10.1021/acsomega.7b01812}, author = {Negi, S. S.} } @article {44508, title = {Integrated host-pathogen metabolic reconstructions}, journal = {Methods in Molecular Biology}, volume = {1716}, year = {2018}, month = {JAN}, pages = {197-217}, abstract = {The science and art of Genome scale metabolic network reconstructions have been explicitly documented in the literature for organisms across all the three kingdoms of life. Constraints-based models derived from such reconstructions have been used to assess metabolic phenotypes of their complex connections to genotype accurately. The problem of infectious disease is complex due to the multifactorial response of the host to the pathogen. Systems biology approaches and modeling allow one to study, understand, and predict emergent properties of such complex responses. The integration of the host and pathogen metabolic networks and the subsequent merger of their stoichiometric matrices is nontrivial and requires understanding of both pathogen and host metabolism and physiologies. The protocol here describes the detailed process of network and stoichiometric matrix merger using a salmonella-mouse macrophage model. The protocol also discusses the interfacial and objective functions required to actually embark on the analysis of host-pathogen interaction models.}, doi = {10.1007/978-1-4939-7528-0_9}, author = {Raghunathan, Anu and Jamshidi, Neema} } @article {44397, title = {Integrated production of diesel fuel precursors from carbohydrates and 2-methylfuran over Sn-mont catalyst}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {APR}, pages = {4039-4046}, abstract = {A TfOH-catalyzed highly efficient synthesis of biologically active (E)-2-cyanoacrylamides and 3-substituted azetidine-2,4-diones has been reported with 64-94\% yields under metal-free conditions. The reaction proceeds through sequential Knoevenagel condensation/stereoselective in situ monohydration of nitrile or C-N cyclization protocol in one-pot. The attractive features of this tandem process are moderate reaction conditions, high atom economy, broad substrate scope, gram-scale reaction and ease of operation.}, doi = {10.1002/slct.201800694}, author = {Shinde, Suhas H. and Rode, Chandrashekhar V.} } @article {44586, title = {Integrated transcriptomic and proteomic analyses suggest the participation of endogenous protease inhibitors in the regulation of protease gene expression in helicoverpa armigera}, journal = {Molecular \& Cellular Proteomics}, volume = {17}, year = {2018}, month = {JUL}, pages = {1324-1336}, abstract = {Insects adapt to plant protease inhibitors (PIs) present in their diet by differentially regulating multiple digestive proteases. However, mechanisms regulating protease gene expression in insects are largely enigmatic. Ingestion of multi-domain recombinant Capsicum annuum protease inhibitor-7 (CanPI-7) arrests growth and development of Helicoverpa armigera (Lepidoptera: Noctuidae). Using de novo RNA sequencing and proteomic analysis, we examined the response of H. armigera larvae fed on recombinant CanPI-7 at different time intervals. Here, we present evidence supporting a dynamic transition in H. armigera protease expression on CanPI-7 feeding with general down-regulation of protease genes at early time points (0.5 to 6 h) and significant up-regulation of specific trypsin, chymotrypsin and aminopeptidase genes at later time points (12 to 48 h). Further, coexpression of H. armigera endogenous PIs with several digestive protease genes were apparent. In addition to the differential expression of endogenous H. armigera PIs, we also observed a distinct novel isoform of endogenous PI in CanPI-7 fed H. armigera larvae. Based on present and earlier studies, we propose potential mechanism of protease regulation in H. armigera and subsequent adaptation strategy to cope with anti-nutritional components of plants.}, doi = {10.1074/mcp.RA117.000533}, author = {Lomate, Purushottam R. and Dewangan, Veena and Mahajan, Neha S. and Kumar, Yashwant and Kulkarni, Abhijeet and Wang, Li and Saxena, Smita and Gupta, Vidya S. and Giri, Ashok P.} } @article {44220, title = {Integrative analysis of rewired central metabolism in temozolomide resistant cells}, journal = {Biochemical and Biophysical Research Communications}, volume = {495}, year = {2018}, month = {JAN}, pages = {2010-2016}, type = {Article}, abstract = {
An authenticated U87MG clonal glioblastoma cell line was investigated to identify a sub-population of neurospheroidal (NSP) cells within the main epithelial population (U87MG). The NSP cells sorted using Fluorescence Assisted Cell Sorting (FACS) showed varied morphology, 30\% lower growth rates, 40\% higher IC50 values for temozolomide drug and could differentiate into the glial cell type (NDx). Metabolite profiling using HR-LCMS identified glucose, glutamine and serine in both populations and tryptophan only in U87MG as growth limiting substrates. Glycine, alanine, glutamate and proline were secreted by U87MG, however proline and glycine were re-utilized in NSP. Exo-metabolite profiling and phenotypic microarrays identified differential metabolism of primary carbon sources glucose and derived pyruvate for U87MG; glutamine and derived glutamate metabolism in NSP. Differential mRNA abundance of AKT1, PTEN, PIK3CA controlling metabolism, drug efflux, nutrient transport and epigenetic control MDM2 are potentially critical in shaping DNA methylation effects of temozolomide. Our study provides a new insight into the combined effect of these factors leading to temozolomide resistance in NSP. (C) 2017 Elsevier Inc. All rights reserved.
}, keywords = {Glutamine, Metabolic rewiring, Metabolite profiling, mRNA abundances, Temozolomide resistance, U87MG}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2017.12.073}, author = {Immanuel, Selva Rupa C. and Ghanate, Avinash D. and Parmar, Dharmeshkumar S. and Marriage, Fiona and Panchagnula, Venkateswarlu and Day, Nap J. and Raghunathan, Anu} } @article {44510, title = {Integrative approaches to understand the Mastery in manipulation of host cytokine networks by protozoan parasites with emphasis on Plasmodium and Leishmania species}, journal = {Frontiers in Immunology}, volume = {9}, year = {2018}, month = {FEB}, pages = {Article Number: 296}, abstract = {cDiseases by protozoan pathogens pose a significant public health concern, particularly in tropical and subtropical countries, where these are responsible for significant morbidity and mortality. Protozoan pathogens tend to establish chronic infections underscoring their competence at subversion of host immune processes, an important component of disease pathogenesis and of their virulence. Modulation of cytokine and chemokine levels, their crosstalks and downstream signaling pathways, and thereby influencing recruitment and activation of immune cells is crucial to immune evasion and subversion. Many protozoans are now known to secrete effector molecules that actively modulate host immune transcriptome and bring about alterations in host epigenome to alter cytokine levels and signaling. The complexity of multi-dimensional events during interaction of hosts and protozoan parasites ranges from microscopic molecular levels to macroscopic ecological and epidemiological levels that includes disrupting metabolic pathways, cell cycle (Toxoplasma and Theileria sp.), respiratory burst, and antigen presentation (Leishmania spp.) to manipulation of signaling hubs. This requires an integrative systems biology approach to combine the knowledge from all these levels to identify the complex mechanisms of protozoan evolution via immune escape during host-parasite coevolution. Considering the diversity of protozoan parasites, in this review, we have focused on Leishmania and Plasmodium infections. Along with the biological understanding, we further elucidate the current efforts in generating, integrating, and modeling of multi-dimensional data to explain the modulation of cytokine networks by these two protozoan parasites to achieve their persistence in host via immune escape during host-parasite coevolution.}, doi = {10.3389/fimmu.2018.00296}, author = {Mahanta, Anusree and Ganguli, Piyali and Barah, Pankaj and Sarkar, Ram Rup and Sarmah, Neelanjana and Phukan, Saurav and Bora, Mayuri and Baruah, Shashi} } @article {44240, title = {Interaction of polymers with amyloidogenic peptides}, journal = {Polymer International}, volume = {67}, year = {2018}, month = {JAN}, pages = {15-24}, type = {Article}, abstract = {
With this review, the aim was to gather recent representative publications which describe the interaction of polymers with amyloidogenic peptides/proteins. When functional, these take part in for instance bacterial adhesion and biofilm formation. However, several of the peptides/proteins have been identified in various diseases. One of the current approaches to discover a cure against these relies on therapeutics which either prevent or accelerate peptide/protein aggregation and/or clear readily formed aggregates. Owing to the common interest of scientists from all disciplines to identify a cure against the diseases of public health concern, there are overwhelming numbers of publications dealing with these two approaches. Since amyloid aggregation could be regarded as a nucleated polymerization, which is an established mechanism of polymer self-assembly, we recently tackled the issue of amyloid aggregation using the theories and methods established in polymer science. In this review, we hence focus on gathering relevant and recent publications which describe the role of polymers in modulating the aggregation of amyloidogenic peptides/proteins. (c) 2017 Society of Chemical Industry
}, keywords = {amyloid, neurodegenerative diseases, Polymer, protein, Self-assembly}, issn = {0959-8103}, doi = {10.1002/pi.5483}, author = {Abraham, Jancy Nixon and Nardin, Corinne} } @article {45363, title = {Interconverting hydrogen-bonding and weak n -> pi* interactions in aqueous solution: A direct spectroscopic evidence}, journal = {Journal of Physical Chemistry Letters}, volume = {9}, year = {2018}, month = {SEP}, pages = {5425-5429}, type = {Article}, abstract = {
Molecular structure and function depend on myriad noncovalent interactions. However, the weak and transient nature of noncovalent interactions in solution makes them challenging to study. Information on weak interactions is typically derived from theory and indirect structural data. Solvent fluctuations, not revealed by structure analysis, further complicate the study of these interactions. Using 2D infrared spectroscopy, we show that the strong hydrogen bond and the weak n -\> pi* interaction coexist and interconvert in aqueous solution. We found that the kinetics of these interconverting interactions becomes faster with increasing water content. This experimental observation provides a new perspective on the existence of weak noncovalent interactions in aqueous solution.
}, author = {Deb, Pranab and Jin, Geun Young and Singh, Santosh K. and Moon, Juran and Kwon, Hyejin and Das, Aloke and Bagchi, Sayan and Kim, Yung Sam} } @article {45391, title = {Interlayer hydrogen-bonded covalent organic frameworks as high-performance supercapacitors}, journal = {Journal of the American Chemical Society}, volume = {140}, year = {2018}, month = {SEP}, pages = { 10941-10945}, type = {Article}, abstract = {Covalent organic frameworks (COFs) have emerged as promising electrode materials in supercapacitors (SCs). However, their insoluble powder-like nature, poor capacitive performance in pristine form, integrated with inferior electrochemical stability is a primary concern for their long-term use in electrochemical devices. Keeping this in perspective, herein we report a redox active and hydrogen bonded COF with ultrahigh stability in conc. H2SO4 (18 M), conc. HCl (12 M) and NaOH (9 M). The as-synthesized COF fabricated as thin sheets were efficiently employed as a free-standing supercapacitor electrode material using 3 M aq. H2SO4 as an electrolyte. Moreover, the pristine COF sheet showcased outstanding areal capacitance 1600 mF cm(-2) (gravimetric 169 F g(-1)) and excellent cyclic stability (>100 000) without compromising its capacitive performance or Coulombic efficiency. Moreover, as a proof-of-concept, a solid-state supercapacitor device was also assembled and subsequently tested.}, doi = {10.1021/jacs.8b06460}, author = {Halder, Arjun and Ghosh, Meena and Khayum, Abdul M. and Bera, Saibal and Addicoat, Matthew and Sasmal, Himadri Sekhar and Karak, Suvendu and Kurungot, Sreekumar and Banerjee, Rahul} } @article {44164, title = {Intrinsically microporous polyimides containing spirobisindane and phenazine units: synthesis, characterization and gas permeation properties}, journal = {Journal of Polymer Science Part A - Polymer Chemistry}, volume = {56}, year = {2018}, month = {APR }, pages = {766-775}, abstract = {A new diamine containing spirobisindane and phenazine units, namely, 3,3,3,3-tetramethyl-2,2,3,3-tetrahydro-1,1-spirobi[cyclopenta[b]phen azine]-7,7-diamine (TTSBIDA) was synthesized starting from commercially available 5,5,6,6-tetrahydroxy-3,3,3,3-tetramethyl-1,1-spirobisindane (TTSBI). TTSBI was oxidized to 3,3,3,3-tetramethyl-2,2,3,3-tetrahydro-1,1-spirobi[indene]-5,5,6,6-tet raone (TTSBIQ) which was subsequently condensed with 4-nitro-1,2-phenylenediamine to obtain 3,3,3,3-tetramethyl-7,7-dinitro-2,2,3,3-tetrahydro-1,1-spirobi[cyclope nta[b]phenazine] (TTSBIDN). TTSBIDN was converted into TTSBIDA by reduction of the nitro groups using hydrazine hydrate in the presence of Pd/C as the catalyst. A series of new polyimides of intrinsic microporosity (PIM-PIs) were synthesized by polycondensation of TTSBIDA with commercially available aromatic dianhydrides. PIM-PIs exhibited amorphous nature, high thermal stability (T-10\>480 degrees C) and intrinsic microporosity (BET surface area=59-289 m(2)/g). The gas permeation characteristics of films of selected PIM-PIs were evaluated and they exhibited appreciable gas permeability as well as high selectivity. The CO2 and O-2 permeability of PIM-PIs were in the range 185.4-39.2 and 30.6-6.2 Barrer, respectively. Notably, polyimide derived from TTSBIDA and 4,4-(hexafluoroisopropylidene)diphthalic anhydride (PIM-PI-6FDA) exhibited high CO2 and O-2 permeability of 185.4 and 30.6 Barrer with CO2/CH4 and O-2/N-2 selectivity of 43.1 and 5.1, respectively. The data of PIM-PI-6FDA for CO2/CH4 and O-2/N-2 gas pairs were located near Robeson upper bound. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 766-775}, keywords = {Gas permeability, intrinsic microporosity, polyimides, spirobisindane}, issn = {0887-624X}, doi = {10.1002/pola.28950}, author = {Shrimant, Bharat and Dangat, Yuvraj and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article {45560, title = {Investigating adsorptive deep desulfurization of fuels using metal-modified adsorbents and process intensification by acoustic cavitation}, journal = {Industrial and Engineering Chemistry Research}, volume = {58}, year = {2018}, month = {MAY}, pages = {7593-7606}, type = {Article}, abstract = {
The harmful impact on the environment due to SOx emissions from fuels and increasingly strict norms over the years have amplified deep-desulfurization challenges, consequently enhancing attractiveness of adsorptive separations. The present work focuses on investigating metal modifications and process intensification using acoustic cavitation for improving sulfur removal behavior and selectivity. The proof of concept was elucidated using two model adsorbents: one commercial Shirasagi TAC adsorbent and another newer adsorbent derived from Cassia fistula biomass. Single- and double-metal modifications were studied using zinc, cobalt, nickel, and copper. An attempt was made to further improve the sulfur removal using process intensification using acoustic cavitation coupled with adsorption. The removal of three refractory sulfur compounds (viz. thiophene, benzothiophene, and dibenzothiophene) was studied, and the performance was compared for both single- and double-metal modifications apart from process intensification. In the case of TAC, a high capacity for sulfur removal, up to 23 mg S/g, was obtained, especially for dibenzothiophene. Process intensification using cavitation coupled with adsorption further improved sulfur removal to the extent of 100\%, and for metal-modified TAC, a capacity increase up to 38 mg S/g for dibenzothiophene was obtained. The results indicate that the combined effect of metal modification and process intensification can substantially improve the sulfur-removal efficiency of carbon adsorbents.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.8b04043}, author = {Suryawanshi, N.B. and Bhandari, V.M. and Sorokhaibam, L.G. and Ranade, V.V.} } @article {44595, title = {Investigation of disorder in mixed phase, sp(2)-sp(3) bonded graphene-like nanocarbon}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {18}, year = {2018}, month = {APR}, pages = {2504-2512}, abstract = {
Disorder in a mixed phase, sp(2)-sp(3) bonded graphene-like nanocarbon (GNC) lattice has been extensively studied for its electronic and field emission properties. Morphological investigations are performed using scanning electron microscopy (SEM) which depicts microstructures comprising of atomically flat terraces (c-planes) with an abundance of edges (ab planes which are orthogonal to c-planes). Scanning tunneling microscopy (STM) is used to observe the atomic structure of basal planes whereas field emission microscopy (FEM) is found to be suitable for resolving nanotopography of edges. STM images revealed the hexagonal and non-hexagonal atomic arrangements in addition to a variety of defect structures. Scanning tunneling spectroscopy is carried out to study the effect of this short-range disorder on the local density of states. Current versus voltage (I-V) characteristics have been recorded at different defect sites and are compared with respect to the extent of the defect. As sharp edges of GNC are expected to be excellent field emitters, because of low work function and high electric field, enhancement in current is observed particularly when applied electric field is along basal planes. Therefore, it is worthwhile to investigate field emission from these samples. The FEM images show a cluster of bright spots at low voltages which later transformed into an array resembling ledges of ab-planes with increasing voltage. Reproducible I-V curves yield linear Fowler-Nordheim plots supporting field emission as the dominant mechanism of electron emission. Turn on field for 10 mu A current is estimated to be similar to 3 V/mu m.
}, keywords = {Field emission microscopy, Graphene-Like Nanocarbon, Scanning tunneling microscopy, Scanning Tunneling Spectroscopy}, issn = {1533-4880}, doi = {10.1166/jnn.2018.14312}, author = {Patil, Sumati and Kolekar, Sadhu and Kumar, Arvind and Alegaonkar, Prashant and Datar, Suwarna and Dharmadhikari, C. V.} } @article {44383, title = { Investigations on optical properties of ZnO decorated graphene oxide (ZnO@GO) and reduced graphene oxide (ZnO@r-GO)}, journal = {Journal of Alloys and Compounds}, volume = {744}, year = {2018}, month = {MAY}, pages = {64-74}, abstract = {The present investigation is based on the production of reduced graphene oxide (r-GO) from the graphene oxide using Hummer{\textquoteright}s (GO) and improved Hummer{\textquoteright}s methods (IGO) at elaborated conditions, named as GO and IGO, respectively hereafter. In contrast to previously known techniques, the presented process does not generate toxic gas. Meanwhile, the reduction temperature can be easily controlled. This approach provides a more significant amount of hydrophilic oxidized graphene as compared to GO and IGO with the use of additional KMnO4. Thus synthesized IGO was used to produce r-GO by thermal treatment. The morphological characteristics show that the obtained samples have a wrinkled paper-like morphology with severely folded lines. However, r-GO has double layers and multilayer at the edges. All the products (GO, IGO, and r-GO) have been decorated with ZnO nanoparticles (NPs). The XRD patterns of ZnO@GO composites have confirmed the characteristic peaks of wurtzite ZnO indicating the formation of ZnO nanoparticles onto the surface of graphene. The microscopic studies confirm the random growth/decoration of ZnO NPs on the surface of GO/IGO/r-GO sheets. However, in IGO and r-GO, loading/growth of ZnO NPs are less as compared to ZnO@GO. Overall structural studies indicate the oxidation of graphite and reduction of graphene oxide into r-GO sheets and ZnO decoration. Upon UV excitations, a bright blue emission has been exhibited by the GO that originates from geminate recombination of localized e-h pairs in sp(2) clusters those primarily act as the luminescent centers. The noteworthy enhancement in the emission intensities after the incorporation of ZnO nanoparticles on the surface of GO is observed. The improved synthesis method and low-temperature reduction technique of GO may be essential for the large-scale production of r-GO as well as the construction of devices composed of ZnO@GO/IGO/r-GO. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jallcom.2018.02.057}, author = {Kumar, Pushpendra and Som, Sudipta and Pandey, Mukesh K. and Das, Subrata and Chanda, Anupama and Singh, Jai} } @article {44396, title = {Ion pairing in 1-butyl-3-methylpyridinium halide ionic liquids studied using NMR and DFT calculations}, journal = {Physical Chemistry Chemical Physics}, volume = {20}, year = {2018}, month = {APR}, pages = {11470-11480}, abstract = {We present the H-1, C-13 and N-15 NMR chemical shifts of bulk ionic liquids based on 1-butyl-3-methylimidazolium (the cation also known as 1-butyl-3-picolinium) halides (Cl-, Br- and I-) and tribromide (Br-3(-)) salts. A characterization in solution of the analogous ICl2- and I-3(-) salts is also reported. A series of DFT calculations has been run to predict the features of the NMR spectra of the pure ILs based on a few selected supramolecular ionic aggregates. To test the effect of temperature, and vibrational and conformational motions, only for the chloride salt, we also run first-principles molecular dynamics simulations of the ion pair in the gas phase, using the ADMP scheme (Atom Centered Density Matrix Propagation molecular dynamics model). The aim of our investigation is to test whether a simple DFT based approach of ion-pairing in ionic liquids is capable of providing reliable results and under which conditions the protocol is robust. We obtained a very good agreement between the calculated and experimental spectra for the three halides, where the bulk structure of the ILs is dominated by H-bond interactions between the X- anion (X = Cl, Br and I) and the ortho protons of the pyridinium ring (a structural arrangement not too different from the solid-state structure of pyridinium halides). In contrast, when the H-bond is weak, as in the Br-3(-) case, a number of supramolecular arrangements exist in solution and the simple DFT calculations of a few selected cases cannot exhaustively explore the complete energy landscape. Moreover, the dynamic effects due to thermal motion, evaluated by ADMP MD simulations of the chloride salt, appear to be not very significant.}, doi = {10.1039/c8cp01557k}, author = {Swamy, Vincent P. and Thulasiram, Hirekodathakallu V. and Rastrelli, Federico and Saielli, Giacomo} } @article {44511, title = {Iron Catalyzed Hydroformylation of Alkenes under Mild Conditions: Evidence of an Fe(II) Catalyzed Process}, journal = {Journal of the American Chemical Society}, volume = {140}, year = {2018}, month = {MAR }, pages = {4430-4439}, abstract = {
Earth abundant, first row transition metals offer a cheap and sustainable alternative to the rare and precious metals. However, utilization of first row metals in catalysis requires harsh reaction conditions, suffers from limited activity, and fails to tolerate functional groups. Reported here is a highly efficient iron catalyzed hydroformylation of alkenes under mild conditions. This protocol operates at 10-30 bar syngas pressure below 100 degrees C, utilizes readily available ligands, and applies to an array of olefins. Thus, the iron precursor [HFe(CO)(4)](-)[Ph3PNPPh3](+) (1) in the presence of triphenyl phosphine catalyzes the hydroformylation of 1-hexene (S2), 1-octene (S1), 1-decene (S3), 1-dodecene (S4), 1-octadecene (S5), trimethoxy(vinyl)silane (S6), trimethyl(vinyl)silane (S7), cardanol (S8), 2,3-dihydrofuran (S9), allyl malonic acid (S10), styrene (S11), 4-methylstyrene (S12), 4-iBu-styrene (S13), 4-tBu-styrene (S14), 4-methoxy styrene (S15), 4-acetoxy styrene (S16), 4-bromo styrene (S17), 4-chloro styrene (S18), 4-vinylbenzonitrile (S19), 4-vinylbenzoic acid (S20), and allyl benzene (S21) to corresponding aldehydes in good to excellent yields. Both electron donating and electron withdrawing substituents could be tolerated and excellent conversions were obtained for S11-S20. Remarkably, the addition of 1 mol \% acetic acid promotes the reaction to completion within 16-24 h. Detailed mechanistic investigations revealed in situ formation of an iron-dihydride complex [H2Fe(CO)(2)(PPh3)(2)] (A) as an active catalytic species. This finding was further supported by cyclic voltammetry investigations and intermediacy of an Fe(0)-Fe(II) species was established. Combined experimental and computational investigations support the existence of an iron-dihydride as the catalyst resting state, which then follows a Fe(II) based catalytic cycle to produce aldehyde.
}, issn = {0002-7863}, doi = {10.1021/jacs.8b01286}, author = {Pandey, Swechchha and Raj, K. Vipin and Shinde, Dinesh R. and Vanka, Kumar and Kashyap, Varchaswal and Kurungot, Sreekumar and Vinod, C. P. and Chikkali, Samir H.} } @article {44398, title = {Isa-NHC-catalyzed intermolecular stetter reaction of aromatic aldehydes with maleimides: an efficient access to 3-aroylsuccinimides}, journal = {Tetrahedron}, volume = {76}, year = {2018}, month = {APR}, pages = {2079-2084}, abstract = {An intermolecular Stetter reaction of aromatic aldehydes with maleimides has been developed using thiazolylidene salt derived Isa-NHC as an efficient organocatalyst. The synthesized Stetter products "3-aroylsuccinimides" are important building blocks for the synthesis of natural products and bioactive compounds. The reaction conditions are mild, and various substituents on aromatic aldehyde and maleimide nitrogen were tolerated. (C) 2018 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tet.2018.03.009}, author = {Ahire, Milind M. and Mhaske, Santosh B.} } @article {44389, title = {Isobaric vapor-liquid equilibrium data for binary systems of anisole with methyl acetate, ethyl acetate, n-propyl acetate, and isopropyl acetate at 93.9 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {63}, year = {2018}, month = {MAY}, pages = {1761-1766}, abstract = {The present work reports experimental isobaric vapor-liquid equilibrium data at 93.9 kPa pressure using a dynamic recirculation still for four binary pairs of acetates with anisole. The suitability of the experimental data for modeling was established by performing the Herington area test, Van Ness test, and mean absolute deviation test. Binary interaction parameters necessary for process modeling were derived through the regression of the VLE data for Wilson, NRTL, and UNIQUAC activity coefficient models with a suitable objective function. VLE data in the form of T-x, y plots indicates no formation of azeotropes for all pairs.}, doi = {10.1021/acs.jced.8b00063}, author = {Bhoi, Bharat R. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {44589, title = {Judicious reduction of supported Ti catalyst enables access to disentangled ultrahigh molecular weight polyethylene}, journal = {Macromolecules}, volume = {51}, year = {2018}, month = {JUN }, pages = {4541-4552}, abstract = {
Heterogeneous Ziegler-Natta and homogeneous metallocene catalysts are known to produce ultrahigh molecular weight polyethylene (UHMWPE) in the entangled state. On the other hand, only (two) homogeneous single-site catalysts are reported to yield disentangled UHMWPE (dis-UHMWPE). This disparity between the two types of catalysts and the two states of polyethylene can be bridged if a heterogeneous single-site catalyst that can yield dis-UHMWPE is made accessible. Here, one-pot two-step synthesis of a MgCl2 supported [Ti(OEt)(4)] derived catalyst 1 with a two-stage activation strategy is reported to produce dis-UHMWPE. Second activation of catalyst 1 was performed by adding excess modified methylaluminoxane (MMAO12), and XPS analysis indicated that the catalyst existed in only Ti(III) state at [A1]/[Ti] ratio of 600. Catalyst 1 after second activation with MMAO12 was found to be highly active in ethylene polymerization and produced dis-UHMWPE. Polymerization conditions were tailored to obtain molecular weight (M-w) as high as 13 million g/mol PE. To the best of our knowledge, this is the first time a heterogeneous catalyst (catalyst 1) that displays pseudosingle site nature is able to produce dis-UHMWPE. The thus-prepared nascent polyethylene revealed a melting temperature of 141-144 degrees C, which is a characteristic melting transition for a dis-UHMVVPE. The disentangled state of the nascent PE and its M-w and MVVD were further authenticated by rheological investigations. Isothermal time, sweep oscillatory experiments in linear viscoelastic limit revealed a rapid rise in elastic modulus followed by equilibration to plateau modulus, which are characteristic features of the disentangled state. Thus, a pseudo-singlesite heterogeneous catalyst has been accessed, which upon second activation with excess MMAO12 led to the production of dis-UHMWPE.
}, issn = {0024-9297}, doi = {10.1021/acs.macromol.8b00590}, author = {Gote, Ravindra P. and Mandal, Dipa and Patel, Ketan and Chaudhuri, Krishnaroop and Vinod, C. P. and Lele, Ashish K. and Chikkali, Samir H.} } @article {45526, title = {Kinetic investigation for the catalytic reduction of nitrophenol using ionic liquid stabilized gold nanoparticles}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {NOV}, pages = {38384-38390}, type = {Article}, abstract = {We demonstrate the synthesis of gold nanoparticles (AuNP) stabilized by 1-butyl-3-hexadecyl imidazolium bromide (Au@[C4C16Im]Br) and their use as a catalyst for the reduction of nitrophenol. The AuNPs show excellent stability in presence of [C4C16Im]Br ionic liquids for the reduction of 4-nitrophenol and 2-nitrophenol using NaBH4 as a reducing agent. The detailed kinetics for the reduction of 4-nitrophenol and 2-nitrophenol were investigated and the catalytic activity of Au@[C4C16Im]Br was evaluated. The pseudo first-order rate constant (kapp) values for 4-nitrophenol was observed to be greater than that of 2-nitrophenol and explained on the basis of hydrogen bonding present in 2-nitrophenol. Au@[C4C16Im]Br showed good separability and reusability and hence, it can be used for the complete reduction of nitrophenols in multiple cycles. The Langmuir{\textendash}Hinshelwood reaction mechanism is elucidated for reduction of 4-nitrophenol by Au@[C4C16Im]Br nanocatalyst on the basis of the kapp values. The thermodynamic activation parameters such as activation energy, enthalpy of activation and entropy of activation were determined and explained using the temperature dependent kinetics for the reduction of nitrophenol using Au@[C4C16Im]Br. The above results reveal that the Au@[C4C16Im]Br nanocatalyst demonstrates excellent catalytic performance for the reduction of nitrophenol by NaBH4 at room temperature. }, doi = {10.1039/c8ra07404f}, author = {Thawarkar, S.R. and Thombare, B. and Munde, B.S. and Khupse, N.D.} } @article {44201, title = {Kinetic promotion of methane hydrate formation by combining anionic and silicone surfactants: scalability promise of methane storage due to prevention of foam formation}, journal = {Journal of Chemical Thermodynamics}, volume = {117}, year = {2018}, month = {FEB}, pages = {248-255}, type = {Article}, abstract = {
Methane storage in its solid hydrate form has recently come up as a rather attractive and low risk option for large scale storage of the gas owing to its mild storage conditions, high gas retention capacity and benign (non-explosive) character. However, it has its fair share of limitations with the slow rate of hydrate formation being one of the most prominent. The addition of surfactants like Sodium dodecyl sulfate (SDS) to the hydrate forming system significantly speeds up the process of methane hydrate formation but the large amount of foam generated by these surfactants during the process of hydrate formation and dissociation stands as a major roadblock towards the scaling up of the technology. In the current work, a small amount of a silicon based surfactant has been proposed to be used as antifoam in conjunction with an anionic surfactant SDS to eliminate the foam generation while at the same time promote the kinetics of methane hydrate formation. The idea is simple, cost effective and can be a potential game-changer in the quest to develop a commercially scalable hydrate based methane storage technology. (C) 2017 Elsevier Ltd.
}, keywords = {Antifoam, Gas hydrate, kinetics, Methane storage, scale-up, Silicone surfactant}, issn = {0021-9614}, doi = {10.1016/j.jct.2017.09.029}, author = {Bhattacharjee, Gaurav and Barmecha, Vivek and Kushwaha, Omkar S. and Kumar, Rajnish} } @article {44372, title = {Kitchen grinder: a tool for the synthesis of metal-organic frameworks towards size selective dye adsorption}, journal = {Crystengcomm}, volume = {20}, year = {2018}, month = {MAY}, pages = {2486-2490}, abstract = {In this report, we present a simple, swift mechanochemical synthesis of metal-organic frameworks (MOFs) using a kitchen grinder. By adopting this tool, we could synthesize ZIF-8, CuBTC, and MIL-100(Fe) in multi gram-scale and successfully employ MIL-100(Fe)-KG for the efficient (ca. 98\%) removal of an organic dye (methylene blue) from aqueous solution. In particular, we demonstrated the significance of pore aperture for effective dye adsorption by comparing the adsorption behaviours of ZIF-8-KG and MIL-100(Fe)-KG. We believe that this approach could be of economic interest towards the green synthesis of porous adsorbents for waste-water treatment.}, doi = {10.1039/c8ce00333e}, author = {Samal, Mahalaxmi and Panda, Jagannath and Biswal, Bishnu P. and Sahu, Rojalin} } @article {45355, title = { KLTL-MCM-41 micro-mesoporous composite as a solid base for the hydrogenation of sugars }, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {DEC}, pages = { 6429-6440}, type = {Article}, abstract = {An approach to the synthesis of KLTL-MCM-41 micro-mesoporous composites of varying SiO2/Al2O3 molar ratio (20-8) was designed by following green technology. The synthesis was based on the recycling of waste mother liquor containing preformed KLTL zeolite crystals and unutilized reagents. The micro-mesoporous composites consist of KLTL zeolite crystals preformed through hydrothermal treatment in the first step. In the second step, the siliceous mother liquor was transformed into mesoporous MCM-41. The physico-chemical properties of the KLTL-MCM-41 micro-mesoporous composites were determined by PXRD, ICP-OES, FTIR, CO2-TPD, Al-27 MAS-NMR, TEM-EDX, HRTEM, and N-2 adsorption-desorption measurements. The mesopores properties of the KLTL-MCM-41 composites depended on the SiO2/Al2O3 molar ratio. The characterization results led to the following conclusions with decreasing SiO2/Al2O3 molar ratio: 1) decreasing order of the mesophase, 2) decreasing wall thickness of the mesopores, and 3) decreasing BET surface area and pore volume. Al-27 MAS-NMR spectra showed that only tetrahedrally coordinated aluminium was contained in zeolite KLTL. Moreover, the total amount and the strength of the basic sites of the KLTL-MCM-41 micro-mesoporous composites owing to the exchangeable potassium content (Al/K ratio approximate to 1) decreased in the order: 8 MMC > 10 MMC > 15 MMC > 20 MMC. The catalytic activity of the synthesized micro-mesoporous samples as a solid base was tested for the hydrogenation of xylose to sugar alcohols}, issn = {2044-4753}, doi = {10.1039/c8cy01716f}, author = {Tangale, Nilesh P. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Dhepe, Paresh L.} } @article {44377, title = {Knowledge, attitude and practice of antibiotic use and antimicrobial resistance: a study post the {\textquoteright}Red Line{\textquoteright} initiative}, journal = {Current Science}, volume = {114}, year = {2018}, month = {MAY}, pages = {1866-1877}, abstract = {Antimicrobial resistance (AMR) is propagated by irrational use of antibiotics by healthcare practitioners and the uninformed public. This study assessed a select cohort of 504 urban Indians for their knowledge, awareness and practice of antibiotic use and AMR. Forty seven per cent were unaware of the differences between over-the-counter drugs and antibiotics. One in four believes that dose-skipping does not contribute to AMR. One in ten tends to self-medicate. One in five bought medicines without prescription or started an antibiotic course by calling a doctor. Our results mandate educational campaigns, stewardship and surveillance at the national level for prudent antimicrobial use in the Indian community.}, doi = {10.18520/cs/v114/i09/1866-1877}, author = {Banerjee, Deepanwita and Raghunathan, Anu} } @article {44513, title = {Large PAMAM dendron induces formation of unusual P4332 mesophase in monoolein/water system}, journal = {Langmuir}, volume = {34}, year = {2018}, month = {MAY}, pages = {6827-6834}, type = {Article}, abstract = {Compact macromolecular dendrons have been shown to induce the formation of discontinuous inverse micellar assemblies with Fd3m symmetry in monoolein/water systems. Here, we demonstrate that a large PAMAM dendron (G5: fifth generation) induces the formation a very unusual mesophase with P4332 symmetry. This mesophase had previously been observed in monoolein/water systems only on addition of cytochrome C. The P4332 mesophase can be considered an intermediate phase between the bicontinuous Ia3d and discontinuous micellar mesophases. In this unusual phase, every third rod junction of the Ia3d mesophase is replaced with a spherical micelle. We present a detailed investigation of the phase behaviour of monoolein/water as a function of G5 concentration and temperature. Addition of 1\% G5 in 85/15 monoolein/water system induces a transition from the L to Ia3d phase. Further increase in G5 concentration to above 2\% induces the formation of the P4332 phase. Thus, incorporation of G5 yields a qualitatively different phase diagram when compared with incorporation of lower generation PAMAM dendrons (G2 {\textendash} G4) in monoolein/water, where the reverse micellar Fd3m phase forms. PAMAM dendrons of all generations, G2 {\textendash} G5, bear terminal amine groups that interact with the monoolein head group. The compact molecular architecture of the dendrons and these attractive interactions induce bending of the monoolein bilayer structure. For smaller dendrons, G2 {\textendash} G4, this results in the formation of the Fd3m phase. However, the large size of the G5 dendron precludes this and a rare intermediate phase between the Ia3d and discontinuous micellar phase, the P4332 mesophase forms instead.}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.8b00551}, author = {Kumar, Manoj and Patil, Naganath Ganapatarao and Ambade, Ashootosh V. and Kumaraswamy, Guruswamy} } @article {45490, title = {Layered TiO2 nanosheet-supported NiCo2O4 nanoparticles as bifunctional electrocatalyst for overall water splitting }, journal = {ChemElectroChem}, volume = {5}, year = {2018}, month = {DEC}, pages = {4000-4007}, type = {Article}, abstract = {Exploring the generation of efficient and long-lasting bifunctional electrocatalysts obtained from low-cost transition metal oxides is crucial to the optimal production of hydrogen and oxygen by electrocatalytic water splitting. This study aims to demonstrate the applicability of layered TiO2 nanosheets as support for designing electrocatalysts. We have demonstrated the performance by decorating the TiO2 support with NiCo2O4 nanoparticles (NiCo2O4/TiO2) as catalysts for electrocatalytic overall water splitting. Moreover, the corrosion effect of usually used carbon-based supporting materials can decrease the working efficiency and, thus, the overall performance of the catalysts. In this aspect, TiO2 can be a better alternative to carbon-based systems. Layered TiO2 was synthesized at room temperature, and a simple heat treatment protocol was employed for the large-scale synthesis of NiCo2O4/TiO2. TiO2 facilitated the formation of smaller NiCo2O4 nanoparticles, also improving the dispersion. This bifunctional electrocatalyst exhibits high OER and HER performance with a low overpotential of 309 mV and 185 mV respectively, at a current density of 10 mA cm-2. TiO2 supported catalyst also exhibits other advantages like remarkable durability in the alkaline medium along with high turnover frequency (TOF) values. This inexpensive catalyst can deliver a current density of 10 mA cm-2 at only 1.64 V with a steady performance for more than 12 h for overall water splitting. Thus, this homemade system provides a proficient and low-cost alternative to the more expensive systems such as RuO2, IrO2 or Pt for the electrochemical water splitting applications.}, doi = {10.1002/celc.201801107}, author = {Raji, Vadakkekara and Rajith, Illathvalappil and Sreekumar, Kurungot} } @article {45386, title = {The Leishmania donovani IMPACT-like protein possesses non-specific nuclease activity}, journal = {International Journal of Biological Macromolecules}, volume = {119}, year = {2018}, month = {NOV}, pages = {962-973}, type = {Article}, abstract = {IMPACT (Imprinted and Ancient)-like proteins are known to be regulators of GCN2 (General control non-derepressible 2) kinases involved in translation regulation. Here, we report on cloning and characterization of an IMPACT-like protein, LdIMPACT from Leishmania donovani which harbours two domains. {\textquoteright}RWD domain{\textquoteright} at the N-terminal end that mediates GCN2 regulation, while a conserved {\textquoteright}ancient domain{\textquoteright} lies at the C-terminal end whose function remains elusive. Interestingly, our observations indicated that LdIMPACT has a novel nonspecific nuclease activity. In silico analysis further revealed the resemblance of ancient domain of LdIMPACT to RNase PH domain (known to bind to nucleic acids). The recombinant LdIMPACT exhibited a Mg2+-dependent nuclease activity. Moreover, thermostability and pH stability assays of the protein suggest it to be a stress responsive protein. Circular dichroism studies elucidated the conformational transitions of the enzyme in response to various temperature and pH conditions which correlated well with the activity profiles. Thus, the current study highlights the structural and functional characteristics of LdIMPACT which interestingly also possesses a novel nuclease activity. With its physiological relevance unresolved, the multifaceted LdIMPACT might therefore lie in a hitherto unknown network, whose perturbation could be an attractive therapeutic approach for treating leishmaniasis. (C) 2018 Elsevier B.V. All rights reserved.}, issn = { 0141-8130}, doi = {10.1016/j.ijbiomac.2018.07.175}, author = {Rao, Shilpa J. and Shukla, Ekta and Bhatia, Varsha and Lohiya, Bharat and Gaikwad, Sushama M. and Kar, Anita and Pal, Jayanta K.} } @article {44378, title = {Ligand/additive/base-free C(sp(2))-H activation and isocyanide insertion in PEG-400: synthesis of indolizine/imidazoline-fused heterocycles}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAY}, pages = {4581-4585}, abstract = {A ligand/base/metal oxidant free Pd-catalyzed C(sp(2))-H activation, followed by isocyanide insertion to synthesize indolizine/imidazoline fused heterocyclics in PEG-400 as a recyclable solvent. The present transformation is greener and an efficient strategy using oxygen as external oxidant. The spectroscopic properties of selected indolizine/imidazoline fused heterocyclics were studied by UV-visible and fluorescence spectroscopy.}, doi = {10.1002/slct.201800397}, author = {Kumar, K. Shiva and Rajesham, Bandari and Kumar, N. Praveen and Ramulu, Meesa Siddi and Dandela, Rambabu} } @article {45357, title = { Ligand-solvent compatibility: the unsung hero in the digestive ripening story}, journal = {Langmuir }, volume = {34}, year = {2018}, month = {NOV}, pages = {13680-13689}, type = {Article}, abstract = {
Digestive ripening (DR) is a process where a polydisperse nanocrystal (NC) system is converted into a monodisperse one with the aid of thermal heating of NCs in the presence of an excess surface-active organic ligand called digestive ripening agent (DRA) and a solvent. Here, we demonstrate that the solvent-DRA compatibility influences the final size and size distribution of the NCs in a significant manner. Accordingly, in this study, using the DR of gold NCs as the test case with alkanethiol (decanethiol/C10HT) and fluorinated thiol (1H,1H,2H,2H-perfluorodecanethiol/C10FT) as DRA{\textquoteright}s and toluene and alpha,alpha,alpha-trifluoro-toluene (TFT) and their combination as solvents, we clearly establish that alkanethiols result in best-quality NCs after DR in toluene while the fluorinated thiols provide reasonably monodispersed NCs in TFT. Our results also ascertain that even when DR is carried out in a mixture of solvents, as long as the compatible solvent is the major component, the DR process results in reasonably monodisperse NCs. As soon as the amount of uncompatible solvent exceeds a threshold limit, there is perceptible increase in the polydispersity of the NCs. We conclude that the polarity of the solvent, which affects the buildup of ligated atoms/clusters, plays a key role in controlling the size distributions of the NCs.
}, issn = { 0743-7463}, doi = {10.1021/acs.langmuir.8b02699}, author = {Shimpi, Jayesh R. and Chaudhari, Vijay Raman and Prasad, Bhagavatula L. V.} } @article {45472, title = {Limonene inhibits Candida albicans growth by inducing apoptosis}, journal = {Medical Mycology}, volume = {56}, year = {2018}, month = {JUL}, pages = { 565-578}, type = {Article}, abstract = {
Anti-Candida potential of limonene was evaluated against planktonic growth, biofilm (adhesion, development and maturation) and morphogenesis of Candida albicans in this study. Limonene is a major constituent of citrus oil and most frequently used terpene in food and beverage industry due to its pleasant fragrance, nontoxic, and is generally recognized as safe (GRAS) flavoring agent as well as treatment option in many gastrointestinal diseases. Limonene exhibited excellent anti-Candida activity and was equally effective against planktonic growth of C. albicans isolates differentially susceptible to FLC (N = 35). Limonene inhibited morphogenesis significantly at low concentration. However, it showed stage dependent activity against biofilm formation, that is, it was more effective against adhesion followed by development and maturation. Limonene also exhibited excellent synergy with FLC against planktonic and biofilm growth. SWATH-MS analysis led to identification of limonene responsive proteins that provided molecular insight of its anti-Candida activity. Proteomic analysis revealed upregulation of proteins involved in cell wall glucan synthesis (Kre6); oxidative stress (Rhr2, Adh7 and Ebp1); DNA damage stress (Mbf1 and Npl3); nucleolar stress (Rpl11, Rpl7, Rpl29, Rpl15) and down regulation of cytoskeleton organization (Crn1, Pin3, Cct8, Rbl2), and so forth, in response to limonene. Limonene mediated down regulation of Tps3 indicates activation of caspase (CaMca1) and induction of apoptosis in C. albicans. These results suggest that limonene inhibits C. albicans growth by cell wall/membrane damage induced oxidative stress that leads to DNA damage resulting into modulation of cell cycle and induction of apoptosis through nucleolar stress and metacaspase dependent pathway.
}, issn = {1369-3786}, doi = {10.1093/mmy/myx074}, author = {Thakre, Archana and Zore, Gajanan and Kodgire, Santosh and Kazi, Rubina and Mulange, Shradha and Patil, Rajendra and Shelar, Amruta and Santhakumari, Bayitigeri and Kulkarni, Mahesh J. and Kharat, Kiran and Karuppayil, Sankunny Mohan} } @article {44514, title = {Lipase catalyzed synthesis of antimicrobial andrographolide derivatives}, journal = {Data in Brief}, volume = {18}, year = {2018}, month = {JUN}, pages = {1134-1141}, abstract = {In this data article we describe screening of various lipases for the regioselective acylation of Andrographolide. Each lipase was screened with seven acyl donors. Amano lipase AK from Pseudomonas fluorescens was used for the synthesis of two new acylated andrographolide derivatives. Two new compounds, andrographolide-14-propionate and andrographolide-14-caproate were characterized by various spectral studies. These two derivatives showed more antimicrobial activity than andrographolide.}, doi = {10.1016/j.dib.2018.03.103}, author = {Patil, Harshal S. and Jadhav, Dipesh and Paul, Ajay and Mulani, Fayaj Alam and Karegaonkar, Shrikant J. and Thulasiram, Hirekodathakallu V.} } @article {44353, title = { Lithium hydride as an efficient reagent for the preparation of 1,2-anhydro inositols: does the reaction proceed through {\textquoteright}axial rich{\textquoteright} conformation?}, journal = {Carbohydrate Research}, volume = {463}, year = {2018}, month = {JUL}, pages = {32-36}, type = {Article}, abstract = {scyllo-Inositol derived 1,2-trans-diequatorial halohydrins can be efficiently converted to the corresponding epoxides in the presence of lithium hydride. The structure of one of the epoxides was determined by single crystal X-ray diffraction analysis. This provides a potential route for the preparation of ring modified inositol derivatives. DFT calculations suggest that this epoxide formation could be proceeding through the intermediacy of the cyclohexane ring-inverted axial-rich conformer (1,2-trans-diaxial halohydrin). This is supported by the results of DFT calculations on the formation of inositol orthoformate, where the product is locked in the axial-rich conformation, while the starting inositol has the equatorial-rich conformation.}, doi = {10.1016/j.carres.2018.04.014}, author = {Sarkar, Nitai and Sardessai, Richa S. and Shashidhar, Mysore S. and Tamboli, Majid I. and Gonnade, Rajesh G.} } @article {44617, title = {Lower scaling approximation to EOM-CCSD: a critical assessment of the ionization problem}, journal = {International Journal of Quantum Chemistry}, volume = {118}, year = {2018}, month = {JUL}, pages = {e25594}, abstract = {
In this article, we investigate the performance of different approximate variants of the EOM-CCSD method for calculation of ionization potential (IP), as compared to EOM-CCSDT reference values. None of the lower scaling approximations to the EOM-CCSD method give a consistent performance for valence, inner valence, and core ionization, favoring one, or the other depending on the nature of the approximation used. The parent EOMIP-CCSD method gives superior performance for valence IP but can show large errors for inner valence and core ionization. The problem is particularly severe for core-ionization, where even the EOMIP-CCSDT method cannot provide quantitative accuracy.
}, keywords = {EOM-CCSD, Ionization potential, lower scaling}, issn = {0020-7608}, doi = {10.1002/qua.25594}, author = {Dutta, Achintya Kumar and Vaval, Nayana and Pal, Sourav} } @article {45360, title = {Machine learning prediction of interaction energies in rigid water clusters}, journal = {Physical Chemistry Chemical Physics }, volume = {20}, year = {2018}, month = {SEP}, pages = {22987-22996}, type = {Article}, abstract = {Classical force fields form a computationally efficient avenue for calculating the energetics of large systems. However, due to the constraints of the underlying analytical form, it is sometimes not accurate enough. Quantum mechanical (QM) methods, although accurate, are computationally prohibitive for large systems. In order to circumvent the bottle-neck of interaction energy estimation of large systems, data driven approaches based on machine learning (ML) have been employed in recent years. In most of these studies, the method of choice is artificial neural networks (ANN). In this work, we have shown an alternative ML method, support vector regression (SVR), that provides comparable accuracy with better computational efficiency. We have further used many body expansion (MBE) along with SVR to predict interaction energies in water clusters (decamers). In the case of dimer and trimer interaction energies, the root mean square errors (RMSEs) of the SVR based scheme are 0.12 kcal mol(-1) and 0.34 kcal mol(-1), respectively. We show that the SVR and MBE based scheme has a RMSE of 2.78\% in the estimation of decamer interaction energy against the parent QM method in a computationally efficient way.}, doi = {10.1039/c8cp03138j}, author = {Bose, Samik and Dhawan, Diksha and Nandi, Sutanu and Sarkar, Ram Rup and Ghosh, Debashree} } @article {44354, title = {Magnetically tunable liquid dielectric with giant dielectric permittivity based on core-shell superparamagnetic iron oxide}, journal = {Nanotechnology}, volume = {29}, year = {2018}, month = {JUL}, pages = {Article Number: 265707}, type = {Article}, abstract = {A liquid dielectric based on a core-shell architecture having a superparamagnetic iron oxide core and a shell of silicon dioxide was synthesized. The frequency dependence of dielectric properties was evaluated for different concentrations of iron oxide. The dependence of magnetic field on the dielectric properties was also studied. Aqueous ferrofluid exhibited a giant dielectric constant of 6.4 x 10(5) at 0.1 MHz at a concentration of 0.2 vol\% and the loss tangent was 3. The large rise in dielectric constant at room temperature is modelled and explained using percolation theory and Maxwell-Wagner-Sillars type polarization. The ferrofluid is presumed to consist of nanocapacitor networks which are wired in series along the lateral direction and parallel along longitudinal direction. On the application of an external magnetic field, the chain formation and its alignment results in the variation of dielectric permittivity.}, doi = {10.1088/1361-6528/aabc4e}, author = {Vinayasree, S. and Nitha, T. S. and Tiwary, C. S. and Ajayan, P. M. and Joy, P. A. and Anantharaman, M. R.} } @article {45476, title = {Manganese catalyzed N-alkylation of anilines with alcohols: ligand enabled selectivity}, journal = {Organic and biomolecular chemistry }, volume = {16}, year = {2018}, month = {NOV}, pages = {8175-8180}, type = {Article }, abstract = {Ligand enabled Earth-abundant manganese catalyzed N-alkylation of amines with alcohols via a hydrogen auto-transfer strategy is reported. The choice of the ligand plays a significant role in the alcohol reactivity (aliphatic or aromatic) toward N-alkylation reactions.}, issn = {1477-0520}, doi = {10.1039/c8ob01886c}, author = {Landge, Vinod G. and Mondal, Akash and Kumar, Vinit and Nandakumar, Avanashiappn and Balaraman, Ekambaram} } @article {44515, title = {Manganese-catalyzed direct conversion of ester to amide with liberation of H 2}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {JUN}, pages = {3381-3384}, type = {Article}, abstract = {
A simple and efficient Mn-catalyzed acylation of amines is achieved using both acyl and alkoxy functions of unactivated esters with the liberation of molecular hydrogen as a sole byproduct. The present protocol provides an atom-economical and sustainable route for the synthesis of amides from esters by employing an earth-abundant manganese salt and inexpensive phosphine-free tridentate ligand.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b01305}, author = {Mondal, Akash and Subaramanian, Murugan and Avanashiappan, Nandakumar and Balaraman, Kambaram} } @article {45423, title = {Mapping valence band and interface electronic structure changes during the oxidation of Mo to MoO3 via MoO2 and MoO3 reduction to MoO2: A NAPPES study}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {OCT}, pages = {23034-23044}, type = {Article}, abstract = {
Tuning the surface energetics, especially work function (phi) of the materials, is of a great deal of interest for a wide range of surface- and interface-based devices and applications. How the phi of a solid surface changes under the reaction conditions is of paramount interest to the chemists, particularly in the areas of surface dependent phenomena such as, catalysis and electrochemistry. In the present study, by using the valence band and core-level photoelectron spectroscopy, surface-electronic changes from Mo to MoO3 via MoO2 was studied under relevant near-ambient pressure (NAP) and high temperature conditions. A very significant change in phi from Mo to MoO3 was observed and it is well corroborated with the changes in gas-phase vibrational features of O-2 in both near-ambient pressure ultraviolet photoelectron spectra (NAPUPS) as well in NAP X-ray photoelectron spectroscopy. Reversible changes in the electronic structure is observed when MoO3 was reduced in H-2 to MoO2. On the basis of the extent of oxidation/reduction of MoOx NAPUPS has shown, one or two additional peaks in the band gap at 0.6 and 1.6 eV below the Fermi level. Mo5+ features are identified in the VB and in the Mo 3d core levels with distinct features. Mo5+ features are also stable and essential to bridge MoO2 and MoO3 layers, and their co-existence. In addition, characteristic changes in Mo 4d and O 2p features observed from Mo to MoO3 and well corelated to the band gap of MoO3. Oxidation and reduction propagate from the surface to bulk; indeed, this has significant implications in surface-dependent phenomena. The present study demonstrates (a) the uniqueness of NAPUPS in identifying the subtle to large changes in the electronic structure on solid surfaces under common oxidation and reduction (in general, under reaction) conditions, and (b) relevance of NAPUPS to all surface dependent phenomena, such as catalysis and electrochemistry.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.8b07024}, author = {Reddy, Kasala Prabhakar and Mhamane, Nitin B. and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S.} } @article {44194, title = {Marginally hydrogenated triphasic titania nanotubes for effective visible-light photocatalytic hydrogen generation}, journal = {Energy Technology}, volume = {6}, year = {2018}, month = {FEB}, pages = {280-288}, type = {Article}, abstract = {
We report the first demonstration of hydrogen-annealed triphase TiO nanotubes (anatase-rutile-brookite) (T-ARB) as a visible-light-active photocatalyst for water splitting with high quantum efficiency. As-synthesized T-ARB was annealed under hydrogen atmosphere at 250 and 4508 degrees C for 2 h. We found that the tubular structures were retained in the hydrogenated TiO2 samples. It was observed that the concentrations of Ti3+ and the oxygen vacancies and their distribution significantly increased with respect to the hydrogen annealing temperature. Such changes in defects were found to be critical in enhancing the photocatalytic activity of the hydrogen-annealed triphase TiO2 nanotubes. The triphase TiO2 nanotubes hydrogen annealed at 450 degrees C were 16 times more efficient than pristine TiO2. Such an increase in the photocatalytic activity was explained by a triphase band diagram with defect states below the conduction band of each phase, which facilitated visible-light activity and easy transfer of charge carriers from one phase to another. Our study showed that the well-designed multiphase construction with oxygen vacancies enhanced the photocatalytic activity tremendously owing to the presence of a higher number of phase junctions.
}, keywords = {charge transfer, Defects, Hydrogenation, titania, water splitting}, issn = {2194-4288}, doi = {10.1002/ente.201700406}, author = {Preethi, Laguduva K. and Mathews, Tom and Walczak, Lukasz and Gopinath, Chinnakonda S.} } @article {44232, title = {Mechanical activation in reduced graphite oxide/boron nitride nanocomposite electrocatalysts for significant improvement in dioxygen reduction}, journal = {Sustainable Energy \& Fuels}, volume = {2}, year = {2018}, month = {JAN}, pages = {252-261}, type = {Article}, abstract = {
A nanocomposite of reduced graphite oxide (rGO) with hexagonal boron nitride (h-BN) is prepared using a simple hydrothermal method. Significant enhancement in the surface area of the composite is mainly due to the pre-mechanical activation of pristine GO. The structural and morphological study reveals the formation of a homogeneous nanocomposite and masking of rGO sheets over micron sized h-BN particles respectively. Interestingly, the as-synthesized GOBN2-BM composite (nanocomposite of 2 wt\% h-BN with mechanically activated GO) catalyst exhibits significant oxygen electroreduction kinetics in terms of onset potential (E-onset = 0.89 V), half-wave potential (E-1/2 = 0.74 V) and limiting current density (J(L) = 4.4 mA cm(-2)) with a single step similar to 4-electron transfer pathway in alkaline medium. Though the composite catalysts exhibit higher overpotential (110 mV) than state-of-the-art Pt/C catalysts, they are much superior to previously reported carbon or h-BN based nanocomposite electrocatalysts. Importantly, the GOBN2-BM nanocomposite shows excellent tolerance towards both methanol oxidation and CO poisoning. Moreover, the nanocomposite catalysts show substantially higher stability than Pt/C catalysts even after 5000 cycles under similar conditions. Additionally, they show a better relative current stability (95\% retention) than that of a Pt/C catalyst, signifying immense selectivity and durability towards oxygen electroreduction kinetics. The electrocatalytic oxygen reduction activity of the nanocomposite is mainly attributed to the high surface area (thanks to mechanical activation of GO, leading to increased pore distribution) as well as the synergistic mechanism between the h-BN and carbon network of rGO. Hence, it could be a potential cathode catalyst to replace precious-metal based catalysts in alkaline fuel cells.
}, issn = {2398-4902}, doi = {10.1039/c7se00461c}, author = {Patil, Indrajit M. and Jijil, Chamundi P. and Lokanathan, Moorthi and Swami, Anita and Kakade, Bhalchandra} } @article {44620, title = {Mechanism of nickel(II)-catalyzed C(2)-H alkynylation of indoles with alkynyl bromide}, journal = {Organometallics}, volume = {37}, year = {2018}, month = {JUL}, pages = {2037-2045}, abstract = {
The nickel system (THF)(2)NiBr2/phen has recently been shown as an efficient catalyst for the C-H bond alkynylation of diverse heteroarenes with (triisopropylsilyl)alkynyl bromide via monodentate chelation assistance. Herein, we report an extensive mechanistic investigation for the direct alkynylation of indoles involving the well-defined nickel catalyst, which features a coordinative insertion pathway of alkynyl bromide with the Ni(II) catalyst. Catalytic relevant nickel complexes, (phen)NiCl2 (5), (phen)(2)NiCl2 (6) and [(phen)(3)Ni].NiCl4 (7) were isolated, and the complexes 6 and 7 were structurally characterized. Well-defined complexes were as competent as the in situ generated catalyst system (THF)(2)NiBr2/phen for the alkynylation of indoles. Various controlled studies and reactivity experiments were performed to understand the probable pathway for the alkynylation reaction. Kinetics analysis highlights that the complex (phen)NiX2 acts as a precatalyst, and the involvement of substrate indole and LiO{\textquoteright}Bu are essential for the generation of the active catalyst. Deuterium labeling and kinetic studies suggest that the process involving C-H cleavage and carbo-nickelation of indole is a crucial rate influencing step. Reactivity study of various alkynyl compounds with nickel-species highlights a migratory insertion route for the reaction. DFT calculations firmly support the experimental findings and suggest the coordinative insertion pathway of alkynyl bromide rather than oxidative addition toward the nickel(II) center.
}, issn = {0276-7333}, doi = {10.1021/acs.organomet.8b00177}, author = {Khake, Shrikant M. and Jain, Shailja and Patel, Ulhas N. and Gonnade, Rajesh G. and Vanka, Kumar and Punji, Benudhar} } @article {44516, title = {Mechanism of the formation of microphase separated water clusters in a water-mediated physical network of perfluoropolyether tetraol}, journal = {Soft Matter}, volume = {14}, year = {2018}, month = {MAR}, pages = {2339-2345}, abstract = {
Perfluoropolyether tetraol (PFPE tetraol) possesses a hydrophobic perfluoropolyether chain in the backbone and two hydroxyl groups at each chain terminal, which facilitates the formation of hydrogen bonds with water molecules resulting in the formation an extended physical network. About 3 wt\% water was required for the formation of the microphase separated physical network of PFPE tetraol. The mechanism responsible for the microphase separation of water clusters in the physical network was studied using a combination of techniques such as NMR spectroscopy, molecular dynamics (MD) simulations and DSC. MD simulation studies provided evidence for the formation of clusters in the PFPE tetraol physical network and the size of these clusters increased gradually with an increase in the extent of hydration. Both MD simulations and NMR spectroscopy studies revealed that these clusters position themselves away from the hydrophobic backbone or vice versa. The presence of intra-and inter-chain aggregation possibility among hydrophilic groups was evident. DSC results demonstrated the presence of tightly and loosely bound water molecules to the terminal hydroxyl groups of PFPE tetraol through hydrogen bonding. The data from all the three techniques established the formation of a physical network driven by hydrogen bonding between the hydrophilic end groups of PFPE tetraol and water molecules. The flexible nature of the PFPE tetraol backbone and its low solubility parameter favour clustering of water molecules at the terminal groups and result in the formation of a gel.
}, issn = {1744-683X}, doi = {10.1039/c7sm02181j}, author = {Deshpande, Ashwini A. and Torris, Arun A. T. and Pahari, Swagata and Menon, Shamal K. and Badiger, Manohar V. and Rajamohanan, P. R. and Wadgaonkar, Prakash P. and Roy, Sudip and Tonelli, Claudio} } @article {44517, title = {Mechanistic aspects of pincer nickel(II)-catalyzed C-H bond alkylation of azoles with alkyl halides}, journal = {Organometallics}, volume = {37}, year = {2018}, month = {MAR}, pages = {1017-1025}, abstract = {
The quinolinyl-based pincer nickel complex, kappa(N),kappa(N),kappa(N)-{C9H6N-(mu-N)-C6H4-NMe2}NiCl [((NNNMe2)-N-Q)-NiCl; (1)] has recently been demonstrated to be an efficient and robust catalyst for the alkylation of azoles with alkyl halides under copper-free conditions. Herein, we report the detailed mechanistic investigation for the alkylation of azoles catalyzed by ((NNNMe2)-N-Q)NiCl (1), which highlights an iodine atom transfer (IAT) mechanism for the reaction involving a Ni-II/Ni-III process. Deuterium labeling experiments indicate reversible cleavage of the benzothiazole C-H bond, and kinetic studies underline a fractional negative rate order with the substrate benzothiazole. The involvement of an alkyl radical during the alkylation is validated by radical clock and external additive experiments. An active intermediate species ((NNNMe2)-N-Q)Ni(benzothiazolyl) (5a) has been isolated and structurally characterized. The complex ((NNNMe2)-N-Q)Ni(benzothiazoly1) (5a) is found to be the resting state of catalyst 1. Kinetic analysis of electronically different intermediates suggests that the step involving the reaction of 5a with alkyl iodide is crucial and a rate-influencing step. DFT calculations strongly support the experimental findings and corroborate an IAT process for the alkylation reaction.
}, issn = {0276-7333}, doi = {10.1021/acs.organomet.8b00025}, author = {Patel, Ulhas N. and Jain, Shailja and Pandey, Dilip K. and Gonnade, Rajesh G. and Vanka, Kumar and Punji, Benudhar} } @article {44520, title = {Mechano-responsive room temperature luminescence variations of boron conjugated pyrene in air}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JUN}, pages = {6028-6031}, abstract = {
Stimuli responsive tunable luminescence is a promising field of research. Even though mechanofluorescence is widely studied, mechanophosphorescence remains unexplored. Here we report the mechano-driven fluorescence and phosphorescence variations of a pyrene tetraboronic ester derivative. The fluorochromic and room temperature phosphorescence features are supported by theoretical studies and single crystal analysis. The mechanically ground fluorescence active but phosphorescence inactive pyrene tetraboronic ester exhibits room temperature phosphorescence in air withmechanical force. The efficient intermolecular electronic coupling in the dimer formed upon scratching enables a good communication between singlet and triplet states, hence resulting in room temperature mechanophosphorescence.
}, issn = {1359-7345}, doi = {10.1039/c8cc03494j}, author = {Wakchaure, Vivek C. and Ranjeesh, Kayaramkodath C. and Goudappagouda and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh and Babu, Sukumaran S.} } @article {45392, title = {Melamine formaldehyde-metal organic gel interpenetrating polymer network derived intrinsic Fe-N-doped porous graphitic carbon electrocatalysts for oxygen reduction reaction}, journal = {New Journal of Chemistry }, volume = {42}, year = {2018}, month = {DEC}, pages = {18690-18701}, type = {Article}, abstract = {Fe, N doped porous graphitic carbon electrocatalyst (Fe-MOG-MF-C), obtained by pyrolysis of an Interpenetrating Polymer Network (IPN) comprised of melamine formaldehyde (MF as hard segment) and Metal-Organic Gel (MOG as soft segment), exhibited significant Oxygen Reduction Reaction (ORR) activity in alkaline medium. BET surface area analysis of Fe-MOG-MF-C showed high surface area (821 m(2) g(-1)), while TEM, Raman and XPS results confirmed Fe and N co-doping. Furthermore, a modulated porous morphology with a higher degree of surface area (950 m(2) g(-1)) has been accomplished for the system (Fe-MOG-MFN-C) when aided by a sublimable porogen, such as naphthalene. XPS results further demonstrated that these systems exhibited a better degree of distribution of graphitic N and an onset potential value of 0.91 V vs. RHE in 0.1 M KOH solution following an efficient four-electron ORR pathway. The electrocatalytic activity of Fe-MOG-MFN-C is superior to that of Fe-MOG-MF-C by virtue of its higher graphitic N content and surface area. Thus, the study presents a new class of IPN derived MF-MOG nanocomposites with the potential to generate extended versions of in situ Fe-N doped porous graphitic carbon structures with superior ORR activity.}, issn = {1144-0546}, doi = {10.1039/c8nj03170c}, author = {Shijina, Kottarathil and llathvalappil, Rajith and Sumitha, N. S. and Sailaja, G. S. and Kurungot, Sreekumar and Nair, Balagopal N. and Mohamed, A. Peer and Anilkumar, Gopinathan M. and Yamaguchig, Takeo and Hareesh, U. S.} } @conference {45433, title = {Melanin-based composite materials for multifunctional applications}, booktitle = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, year = {2018}, month = {AUG}, publisher = {American-Chemical-Society}, organization = {American-Chemical-Society}, address = {Boston, MA}, abstract = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, author = {Shanmuganathan, Kadhiravan and Ram, Farsa and Pimpalkar, Nikhil} } @article {44521, title = {Membrane-induced organization and dynamics of the N-terminal domain of chemokine receptor CXCR1: insights from atomistic simulations}, journal = {Chemistry and Physics of Lipids}, volume = {210}, year = {2018}, month = {JAN}, pages = {142-148}, abstract = {
The CXC chemokine receptor 1 (CXCR1) is an important member of the G protein-coupled receptor (GPCR) family in which the extracellular N-terminal domain has been implicated in ligand binding and selectivity. The structure of this domain has not yet been elucidated due to its inherent dynamics, but experimental evidence points toward membrane-dependent organization and dynamics. To gain molecular insight into the interaction of the N-terminal domain with the membrane bilayer, we performed a series of microsecond time scale atomistic simulations of the N-terminal domain of CXCR1 in the presence and absence of POPC bilayers. Our results show that the peptide displays a high propensity to adopt a beta-sheet conformation in the presence of the membrane bilayer. The interaction of the peptide with the membrane bilayer was found to be transient in our simulations. Interestingly, a scrambled peptide, containing the same residues in a randomly varying sequence, did not exhibit membrane-modulated structural dynamics. These results suggest that sequence-dependent electrostatics, modulated by the membrane, could play an important role in folding of the N-terminal domain. We believe that our results reinforce the emerging paradigm that cellular membranes could be important modulators of function of G protein-coupled receptors such as CXCR1.
}, keywords = {All atom MD simulations, beta-sheet, CXCR1, Membrane interaction, N-terminal}, issn = {0009-3084}, doi = {10.1016/j.chemphyslip.2017.09.003}, author = {Kharche, Shalmali and Joshi, Manali and Sengupta, Durba and Chattopadhyay, Amitabha} } @article {44522, title = {Mesoporous shell@macroporous core aluminosilicates as sustainable nanocatalysts for direct N-alkylation of amines}, journal = {Chemnanomat}, volume = {4}, year = {2018}, month = {JUN}, pages = {537-541}, abstract = {
Aluminosilicate spheres with a macroporous core and mesoporous shell (Si/Al ratio of 11) is synthesised by a sol-gel method utilizing cetyltrimethyl ammonium bromide (CTAB) as a structure directing agent in basic medium. The selective incorporation of aluminium in the silica matrix results in the formation of aluminosilicates with an overall acidity of 0.32mmol/g with interconnected pores. Direct N-alkylation reaction is a prototype of C-N bond formation reaction and meso- macroporous aluminosilicate is shown to catalyze this reaction with excellent yield. The catalyst is tested and found sustainable for five catalytic cycles even without any high temperature regeneration step.
}, keywords = {Aluminosilicates, macroporous, Mesoporous, N-alkylation, nanocatalysis}, issn = {2199-692X}, doi = {10.1002/cnma.201800081}, author = {Sekhar, Anandakumari C. Sunil and Ashokkumar, Anumol Erumpukuthickal and Cygnet, Choorapoikayil T. and Lakshmi, Saseendranpillai Vidhya and Deepak, Francis Leonard and Vinod, Chathakudath P.} } @article {44334, title = {Mesoporous tin oxide: an efficient catalyst with versatile applications in acid and oxidation catalysis}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {61-76}, type = {Article}, abstract = {Mesoporous tin oxide was prepared by template assisted and template-free methods. As-prepared materials were calcined at various temperatures to generate different nature (Bronsted and Lewis), amount and strength of acidic sites. The physico-chemical properties of the catalysts were studied by XRD, N-2 sorption, pyridine-FTIR, NH3-TPD, DRS UV-vis, TGA, SEM, TEM, H-1 MAS and Sn-119 MAS NMR analyses. The catalytic behavior of mesoporous tin oxide catalysts was evaluated for acetalization and ketalization of glycerol with benzaldehyde and acetone respectively under solvent free conditions. The catalytic performance of mesoporous tin oxide was compared with that of other conventional solid acid catalysts namely H-ZSM-5, H-mordenite, H-beta, Al-MCM-41, Al-SBA-15 and Al-TUD-1. The efficiency of mesoporous tin oxide was also tested for cyclohexene epoxidation reaction. The catalyst prepared by template assisted method showed excellent catalytic performance compared to other catalysts due the difference in nature and amount of acidic sites in the catalyst. Meso-SnO2-T-350 was stable and reusable catalyst for four cycles without any appreciable loss in activity, and therefore it offers a good catalyst for potentially wide applications.}, doi = {10.1016/j.cattod.2017.10.009}, author = {Manjunathan, Pandian and Marakatti, Vijaykumar S. and Chandra, Prakash and Kulal, Atul B. and Umbarkar, Shubhangi B. and Ravishankar, Raman and Shanbhag, Ganapati V.} } @article {44523, title = {Metabolite profiling for biomarkers in schistosoma haematobium infection and associated bladder pathologies}, journal = {Plos Neglected Tropical Diseases}, volume = {12}, year = {2018}, month = {APR}, pages = {e0006452}, abstract = {
Background Metabolic fingerprinting analysis can offer insights into underlying reactions in a biological system; hence it is crucial to the understanding of disease pathogenesis and could provide useful tools for discovering biomarkers. We sought to examine the urine and plasma metabolome in individuals affected by urogenital schistosomiasis and its associated-bladder pathologies. Methodology Blood and midstream urine were obtained from volunteers who matched our inclusion criteria among residents from Eggua, southwestern Nigeria. Samples were screened by urinalysis, microscopy, PCR and ultrasonography, and categorised as advanced (urogenital schistosomiasis associated-bladder pathologies), infection-only (urogenital schistosomiasis alone) and controls (no infection and no pathology). Metabolites were extracted and data acquired with ultra high-performance liquid chromatography coupled with Thermo Q-Exactive orbitrap HRMS. Data was analysed with MetaboAnalyst, Workflow4Metabolomics, HMDB, LipidMaps and other bioinformatics tools, with univariate and multivariate statistics for metabolite selection. Principal findings There were low levels of host sex steroids, and high levels of several benzenoids, catechols and lipids (including ganglioside, phosphatidylcholine and phosphatidylethanolamine), in infection-only and advanced cases (FDR\< 0.05, VIP\> 2, delta\> 2.0). Metabolites involved in biochemical pathways related to chorismate production were abundant in controls, while those related to choline and sphingolipid metabolism were upregulated in advanced cases FDR\<0.05). Some of these human host and Schistosoma haematobium molecules, including catechol estrogens, were good markers to distinguish infection-only and advanced cases. Conclusions Altered glycerophospholipid and sphingolipid metabolism could be key factors promoting the development of bladder pathologies and tumours during urogenital schistosomiasis.
}, issn = {1935-2735}, doi = {10.1371/journal.pntd.0006452}, author = {Adebayo, Adewale S. and Mundhe, Swapnil D. and Awobode, Henrietta O. and Onile, Olugbenga S. and Agunloye, Atinuke M. and Isokpehi, Raphael D. and Shouche, Yogesh S. and Santhakumari, Bayatigeri and Anumudu, Chiaka I.} } @article {45408, title = {Metal oxide-promoted hydrodeoxygenation activity of platinum in pt-mox/al2o3 catalysts for green diesel production}, journal = {Energy \& Fuels}, volume = {32}, year = {2018}, month = {DEC}, pages = {12630-12643}, type = {Article}, abstract = {Catalytic deoxygenation of fatty acids into renewable hydrocarbons (green diesel) was investigated over 4Pt-8MO(x)/Al2O3 (M = Mo, Re, W, and Sn) catalysts prepared by the wet impregnation method. Platinum deposited on MOx-modified gamma-Al2O3 showed higher catalytic hydrodeoxygenation activity than that of the "neat" Pt/Al2O3 catalyst. The promotional effect of metal oxides (MOx) decreased in the following order: MoOx > ReOx > WOx > SnOx. Characterization studies revealed that metal oxides affect the textural and electronic properties of Pt. Supported Pt facilitated the reduction of these metal oxides. Synergy and electronic contact between Pt and MOx determined the catalytic deoxygenation performance. Fatty acid conversion increased with increasing metallic nature (decreasing binding energy) of Pt. Hydrodeoxygenation product selectivity correlated with the extent of metal oxide reduction. Among the catalysts, 4Pt-8MoO(x)/Al2O3 had the optimum dispersion, electron-rich Pt, and reduced Mo5+ species, enabling quantitative conversion of oleic acid with 93.5\% octadecane selectivity at a temperature as low as 220 degrees C and 20 bar hydrogen pressure. Metal oxide switched the mechanism of deoxygenation from decarbonylation/decarboxylation to hydrodeoxygenation. Fatty acids, methyl oleate, and vegetable oil were deoxygenated with equal efficiency over this catalyst. Catalysts were reusable in recycling studies only at higher temperature (320 degrees C) and not at lower temperature (260 degrees C), perhaps due to strong sticking of reactant molecules at lower temperature on the catalyst surface than at higher temperature.}, issn = {12630-12643}, doi = {10.1021/acs.energyfuels.8b03588}, author = {Janampelli, Sagar and Darbha, Srinivas} } @article {44524, title = {Metal-free annulation of β-acylamino ketones: facile access to spirooxazolines and oxazolines via oxidative C{\textendash}O bond formation}, journal = {Organic Chemistry Frontiers }, volume = {5}, year = {2018}, month = {OCT}, pages = {544-548 }, abstract = {A metal-free annulation reaction of β-acylamino ketone derivatives has been reported for the synthesis of a group of functionalized spirooxazolines and oxazolines in good to excellent yields. The reaction proceeds via phenyliodine(III) diacetate (PIDA)-mediated oxidative C{\textendash}O bond formation in the presence of BF3{\textendash}OEt2. The mild reaction conditions, broad substrate scope, simple execution and synthetic potential of the products make this novel protocol very attractive.}, doi = {10.1039/C7QO00783C}, author = {Chavan, Santosh S. and Rupanawar, Bapurao D. and Kamble, Rohit B. and Shelke, Anil M. and Gurunath Suryavanshi} } @article {45572, title = {Metal-free hypervalent iodine/tempo mediated oxidation of amines and mechanistic insight into the reaction pathways}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {SEP}, pages = {32055-32062}, type = {Article}, abstract = {A highly efficient metal free approach for the oxidation of primary and secondary amines to their corresponding aldehydes and ketones using PhI(OAc)2 in combination with a catalytic amount of TEMPO as an oxidizing agent is described. This protocol is rapid and provides diverse products under milder reaction conditions in excellent yields. In addition, the mechanistic study is well demonstrated by spectroscopic methods.}, doi = {10.1039/c8ra07451h}, author = {Bansode, A.H. and Suryavanshi, G.} } @article {44591, title = {"Metal-free{\textquoteright}{\textquoteright} synthesis of 1,2,3-triazoles via tandem azidation, intramolecular [3+2]-cycloaddition and aromatization of ethyl acrylate derivatives}, journal = {Tetrahedron Letters}, volume = {59}, year = {2018}, month = {JUN }, pages = {2365-2367}, abstract = {
An efficient {\textquoteleft}{\textquoteleft}one-pot{\textquoteright}{\textquoteright} method for the synthesis of substituted 1,2,3-triazole derivatives in excellent yields as single regioisomer is reported. The key transformation involves an atom-efficient tandem azidation, intramolecular [3+2]-cycloaddition and aromatization of acrylate derivatives on treatment with NaN3 in DMF under mild conditions. (C) 2018 Elsevier Ltd. All rights reserved.
}, keywords = {Intramolecular cycloaddition, Regioselective, Tandem azidation, triazoles}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2018.05.020}, author = {Kumar, B. Senthil and Gadakh, Sunita and Sudalai, Arumugam} } @article {45354, title = {Metal-free synthesis of 3-thiocyanatobenzothiophenes by eosin Y photoredox-catalyzed cascade radical annulation of 2-alkynylthioanisoles}, journal = {European Journal of Organic Chemistry}, year = {2018}, month = {SEP}, pages = { 4867-4873}, type = {Article}, abstract = {
A convenient, efficient, metal-free synthesis of 3-thiocyanatobenzothiophenes has been developed that uses eosin Y in a visible-light-mediated photoredox-catalyzed anion oxidation of the ammonium salt of thiocyanate and proceeds through the cascade radical annulation of 2-alkynylthioanisole at room temperature. The present protocol requires visible light as a green energy source, an organic dye as the photocatalyst, and oxygen as a green oxidant to provide a mild route with a broad substrate scope for the formation of potentially bioactive 3-substituted benzothiophene derivatives in good yields.
}, doi = {10.1002/ejoc.201800833}, author = {Tambe, Shrikant D. and Jadhav, Mahesh S. and Rohokale, Rajendra S. and Kshirsagar, Umesh A.} } @article {45364, title = {Metamagnetism in nanosheets of Co-II-MOF with T-N at 26 K and a giant hysteretic effect at 5 K}, journal = {Inorganic Chemistry }, volume = {57}, year = {2018}, month = {DEC}, pages = {15044-15047}, type = {Article}, abstract = {Herein, we have synthesized at room-temperature two-dimensional nanosheets of a MOF comprised of cobalt(II) ion with benzenedicarboxylic acid ligand, which exhibited unusual magnetic properties. Direct-current magnetic susceptibility revealed an anti-ferromagnetic (AFM) transition at 26 K (Neel temperature, T-N) followed by a canting of the spin moments along with the concomitant appearance of a sigmoidal-shaped magnetization versus field (M-H) curve at 15 K. Such a canted AFM ordering led to nonzero remnant magnetization with a remarkably high coercive field of similar to 10 kOe at 5 K. Metamagnetism was further: substantiated by the alternating-current magnetic susceptibility measurements.}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.8b03064}, author = {Gupta, Kriti and Dadwal, Arun and Rana, Shammi and Jha, Plawan Kumar and Jain, Anil and Yusuf, S. M. and Joy, Pattayil A. and Ballav, Nirmalya} } @article {45451, title = {Methanol oxidation reaction on Pt based electrocatalysts modified ultramicroelectrode (UME): Novel electrochemical method for monitoring rate of CO adsorption}, journal = {Electrochimica Acta}, volume = {286}, year = {2018}, month = {OCT}, pages = {287-295}, type = {Article}, abstract = {Novel fast scan cyclic voltammetry (FSCV) based method has been developed to study methanol oxidation reaction on Pt nanoparticles (PtNPs) based catalysts. To support the cyclic voltammetry measurements at higher scan rates, micron-sized electrode geometries viz. PtNPs loaded on the single strand of carbon fiber (SSCF) and PtNPs decorated multiwalled carbon nanotubes (MWCNTs), loaded on commercial ultramicroelectrode (UME) have been employed. Deconvolution of the voltammograms obtained during methanol oxidation revealed three major anodic peaks. These peaks have been plausibly attributed to the electron transfer processes viz. methanol oxidation into CO/other intermediates, oxidation of these intermediates into CO2 and adsorption of un-oxidized CO on the catalyst surface. The peaks due to CO adsorption have been elucidated as a function of scan rates. The area under the peak as a function of time has been correlated to the rate of CO adsorption on these catalysts. The average rate of CO adsorption in methanol oxidation at Pt-SSCF and Pt-MWCNTs/UME are estimated to be 1.08 x 10(-8) mol cm(-2) s(-1) and 13.5 x 10(-8) mol cm(-2) s(-1) respectively. This novel method is proposed to generalize to any electrocatalysts of interest. (C) 2018 Published by Elsevier Ltd.}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.08.014}, author = {Joshi, Vrushali S. and Poudyal, Durgasha C. and Satpati, Ashis K. and Patil, Kashinath R. and Haram, Santosh K.} } @article {44196, title = {Method for identification of sensitive nodes in boolean models of biological networks}, journal = {IET Systems Biology}, volume = {12}, year = {2018}, month = {FEB}, pages = {1-6}, type = {Article}, abstract = {
Biological systems are often represented as Boolean networks and analysed to identify sensitive nodes which on perturbation disproportionately change a predefined output. There exist different kinds of perturbation methods: perturbation of function, perturbation of state and perturbation in update scheme. Nodes may have defects in interpretation of the inputs from other nodes and calculation of the node output. To simulate these defects and systematically assess their effect on the system output, two new function perturbations, referred to as not of function{\textquoteright} and function of not{\textquoteright}, are introduced. In the former, the inputs are assumed to be correctly interpreted but the output of the update rule is perturbed; and in the latter, each input is perturbed but the correct update rule is applied. These and previously used perturbation methods were applied to two existing Boolean models, namely the human melanogenesis signalling network and the fly segment polarity network. Through mathematical simulations, it was found that these methods successfully identified nodes earlier found to be sensitive using other methods, and were also able to identify sensitive nodes which were previously unreported.
}, keywords = {biological networks, Boolean functions, Boolean models, fly segment polarity network, human melanogenesis signalling network, perturbation methods, Perturbation theory, physiological models}, issn = {1751-8849}, doi = {10.1049/iet-syb.2017.0039}, author = {Dnyane, Pooja A. and Puntambekar, Shraddha S. and Gadgil, Chetan J.} } @article {44526, title = {Microbacterium telephonicum sp nov., isolated from the screen of a cellular phone}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {68}, year = {2018}, month = {APR}, pages = {1052-1058}, abstract = {
A cultivation-based study of the microbial diversity of cellular phone screens led to the isolation of a Gram-stain-positive, aerobic, rod-shaped and non-endospore-forming bacterium, designated S2T63(T), exhibiting phenotypic and genotypic characteristics unique to the type strains of closely related species. Phylogenetic analysis based on 16S rRNA gene sequences indicated that the strain is a member of Microbacterium, and most closely related to Microbacterium aurantiacum IFO 15234(T) and Microbacterium kitamiense Kitami C2(T). The DNA-DNA relatedness values of the strain S2T63(T) to M. aurantiacum KACC 20510(T), M. kitamiense KACC 20514(T) and Microbacterium laevaniformans KACC 14463(T) were 65\% (+/- 4), 29.5\% (+/- 3) and 55.9\% (+/- 4), respectively. The genomic DNA G+C content was 71.8 mol\%. The major fatty acids were anteiso C-15:0, iso-C-16 : 0, C-16 : 0 and anteiso-C-17 : 0. The main polar lipids were diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol and two unidentified polar lipids. The peptidoglycan contained the amino acids glycine, lysine, alanine and glutamic acid, with substantial amounts of hydroxy glutamic acid detected, which is characteristic of peptidoglycan type B1 alpha. The predominant menaquinones were MK-12 and MK-13. Rhamnose, fucose and galactose were the whole-cell sugars detected. The strain also showed biofilm production, estimated by using crystal violet assay. Based on the results of the phenotypic and genotypic characterizations, it was concluded that the new strain represents a novel species of the genus Microbacterium, for which the name Microbacterium telephonicum is proposed, with S2T63(T) (=MCC 2967 T = KACC 18715 T = LMG 29293(T)) as the type strain.
}, keywords = {actinobacteria, bio-film, MALDI-TOF MS, mobile phone}, issn = {1466-5026}, doi = {10.1099/ijsem.0.002622}, author = {Rahi, Praveen and Kurli, Rashmi and Pansare, Aabeejjeet N. and Khairnar, Mitesh and Jagtap, Shubhangi and Patel, Nisha B. and Dastager, Syed G. and Lawson, Paul A. and Shouche, Yogesh S.} } @article {44527, title = {Microbial synthesis of mammalian metabolites of spironolactone by thermophilic fungus thermomyces lanuginosus}, journal = {Steroids}, volume = {136}, year = {2018}, month = {MAY}, abstract = {Mesophilic fungi are well recognized as models of mammalian drug metabolism. Thermophilic fungi remained unexplored despite having a unique mechanism of growing at higher temperatures and performing wide diverse reactions. The present investigation is directed to isolate a promising thermophilic fungal strain capable of biotransformation using spironolactone as a model drug. Two-stage fermentation protocol was followed for the process. The transformation of spironolactone was identified by HPLC and structure elucidation of the metabolites was done with the help of LC-MS/MS analysis and previous reports. A strain of Thermomyces lanuginosus isolated from decomposed banana peel waste was found to be most promising in transforming spironolactone to 4 metabolites viz.7α-thiospironolactone (M1) canrenone (M2), 7α-thiomethylspironolactone (M3) and 6β-OH-7α-thiomethylspironolactone (M4), the major mammalian metabolites reported previously. The synthesis of metabolites of spironolactone by T.lanuginosus similar to mammals clearly states that this fungus possess enzyme system similar to mammals. Hence, this fungus has the potential to use as a model organism for studying drug metabolism.}, doi = {10.1016/j.steroids.2018.05.011}, author = {Sreelatha, B. and Prasad, G. Shyam and Vankudoth, Koteswara Rao and Sivadevuni, Girisham} } @article {44224, title = {Microwave-assisted MgO NP catalyzed one-pot multicomponent synthesis of polysubstituted steroidal pyridines}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN}, pages = {184-197}, type = {Article}, abstract = {
The present study reports a highly efficient and green synthetic route for the synthesis of steroidal pyridines. The synthetic methodology involves a microwave-assisted one-pot multicomponent reaction using MgO NPs as a heterogeneous, mild and reusable catalyst. The synthesized MgO NPs were characterized by FTIR, TGA/DTA and XRD analyses. The remarkable features of this protocol include simple operational procedure, shorter reaction profiles, mild reaction conditions, minimal chemical waste and economic viability. The recyclability of the catalyst and high yield of products make the proposed method a sustainable alternative.
}, issn = {1144-0546}, doi = {10.1039/c7nj03742b}, author = {Ansari, Anam and Ali, Abad and Asif, Mohd and Shamsuzzaman} } @article {44594, title = {MiRNA160 is associated with local defense and systemic acquired resistance against Phytophthora infestans infection in potato}, journal = {Journal of Experimental Botany}, volume = {69}, year = {2018}, month = {APR }, pages = {2023-2036}, abstract = {
To combat pathogen infection, plants employ local defenses in infected sites and elicit systemic acquired resistance (SAR) in distant tissues. MicroRNAs have been shown to play a significant role in local defense, but their association with SAR is unknown. In addition, no such studies of the interaction between potato and Phytophthora infestans have been reported. We investigated the role of miR160 in local and SAR responses to P. infestans infection in potato. Expression analysis revealed induced levels of miR160 in both local and systemic leaves of infected wild-type plants. miR160 overexpression and knockdown plants exhibited increased susceptibility to infection, suggesting that miR160 levels equivalent to those of wild-type plants may be necessary for mounting local defense responses. Additionally, miR160 knockdown lines failed to elicit SAR, and grafting assays indicated that miR160 is required in both local and systemic leaves to trigger SAR. Consistently, SAR-associated signals and genes were dysregulated in miR160 knockdown lines. Furthermore, analysis of the expression of defense and auxin pathway genes and direct regulation of StGH3.6, a mediator of salicylic acid-auxin cross-talk, by the miR160 target StARF10 revealed the involvement of miR160 in antagonistic cross-talk between salicylic acid-mediated defense and auxin-mediated growth pathways. Overall, our study demonstrates that miR160 plays a crucial role in local defense and SAR responses during the interaction between potato and P. infestans.
}, keywords = {Auxin-salicylic acid antagonism, microRNA, miR160, Phytophthora infestans, Solanum chacoense, Solanum tuberosum, systemic acquired resistance}, issn = {0022-0957}, doi = {10.1093/jxb/ery025}, author = {Natarajan, Bhavani and Kalsi, Harpreet S. and Godbole, Prajakta and Malankar, Nilam and Thiagarayaselvam, Aarthy and Siddappa, Sundaresha and Thulasiram, Hirekodathakallu V. and Chakrabarti, Swarup K. and Banerjee, Anjan K.} } @article {44528, title = {Mixed bacterial culture mediated direct conversion of bio-glycerol to diols}, journal = {Bioresource Technology}, volume = {250}, year = {2018}, month = {FEB}, pages = {86-93}, abstract = {
Direct and economic transformation of biodiesel derived crude glycerol is gaining more significance. During screening of bacterial cultures Klebsiella pneumoniae and Enterobacter aerogenes were able to convert crude bio-glycerol to 2,3-butanediol (2,3-BDO) and 1,3-propanediol (1,3-PDO), as major compounds, ethanol and acetoin as minor compounds, with a conversion of 69\% and 79\% respectively. Process optimization could achieve maximum conversion at pH 7.0, 37 degrees C, 30-40 g/L glycerol and 1.5 g of inoculum until 120 h. Mixed cultures led to complete glycerol conversion with optimal yield and productivity. An innovative approach of using crude glycerol for sustained growth and tolerance of bacteria as source of carbon and energy makes this study more significant. In addition to this, a mixed culture concept introduced here is expected to make impact in process economics for industrial scale synthesis for direct transformation of glycerol into C3 and specifically, C4 diols.
}, keywords = {1, 2, 3-Butanediol, 3-Propanediol, Bioconversion, Bioglycerol, Mixed culture}, issn = {0960-8524}, doi = {10.1016/j.biortech.2017.11.019}, author = {Parate, Roopa and Mane, Rasika and Dharne, Mahesh and Rode, Chandrashekhar} } @article {44230, title = {Modeling and simulation of a fluidized bed gasifier}, journal = {ASIA-Pacific Journal of Chemical Engineering}, volume = {13}, year = {2018}, month = {FEB}, pages = {2155}, type = {Article}, abstract = {
A mathematical model to simulate continuous gasification of coal particles in a bubbling fluidized bed reactor is presented. Material and energy balance equations have been formulated based on the 2-phase theory. Well-known correlations have been used to estimate the hydrodynamics. Devolatilization, heterogeneous reactions, and homogenous reactions have been included in the model. The model is used to simulate 29 experimental data sets from the published literature. The model predictions agree very well with the experimental data by adjusting the particle size. After establishing agreement with the data, the model was used to investigate influence of various operating parameters on overall performance (carbon conversion and the gross calorific value of generated gas). Thermodynamic analysis (using the minimization of the Gibbs free energy approach) has also been discussed. The presented model and results provide useful tool and insight on design and operation of fluidized bed gasifier.
}, issn = {1932-2135}, doi = {10.1002/apj.2155}, author = {Jain, A. A. and Mehra, A. and Ranade, V. V.} } @article {44590, title = {Modeling the universal viscoelastic response of polymer fibers}, journal = {Physical Review Materials}, volume = {2}, year = {2018}, month = {JUN}, pages = {062601}, abstract = {
Polymer fibers, including natural silk and synthetic fibers, exhibit universal viscoelastic response. On stretching below yield, they show logarithmic stress decay. On unloading fibers with a glassy amorphous phase, the stress recovers. A simple phenomenological model accurately describes data from independent mechanical experiments and provides insights into the micro structural origins of the fiber response. Counter to intuition, the model indicates that it is the crystalline regions, rather than the amorphous glass, that deform first on stretching fibers at high strain rates. On holding a stretched fiber, stress decays as a consequence of relaxations in amorphous regions. Finally, unloading the fiber transfers stress from the amorphous to crystalline regions resulting in stress recovery. Model parameters correlate well with the fiber microstructure. Crystal and amorphous moduli from the model match those from x-ray diffraction. Activation energies for the temperature dependence of the peak relaxation time are similar to those reported in the literature. Thus, a simple model that invokes only crystal-amorphous coexistence can successfully model the mechanical response of a wide variety of polymer fibers.
}, issn = {2475-9953}, doi = {10.1103/PhysRevMaterials.2.062601}, author = {Sharma, Aakash and Kumaraswamy, Guruswamy and Thakre, Shirish} } @article {45347, title = {Modelling of water-to-gas hollow fiber membrane humidifier}, journal = {Chemical Engineering Science }, volume = {192}, year = {2018}, month = {DEC}, pages = {955-971}, type = {Journal Article}, abstract = {
A microscopic mathematical model is developed for membrane based water-to-gas humidification by rigorously accounting for phase equilibrium between the membrane and water phases as well as membrane and gas phases in addition to the coupled heat and mass transfer occurring across the membrane. The model is then integrated along the length of a hollow fiber membrane humidifier in order to predict humidifier performance as a function of design variables, operating variables and operational strategies. For realistic values of membrane thickness and flow parameters, the model suggests that while membrane-gas interfacial resistance alone is crucial for heat transfer, the vapor transfer is governed by the combined resistances of diffusion within the membrane and membrane-gas interface. The model is validated against experimental data obtained using a commercial hollow fiber
}, keywords = {Coupled Heat and Mass, Fuel Cell Applications, Humidification, Phase equilibrium, Proton exchange membrane, Water-to-gas}, doi = {10.1016/j.ces.2018.08.015}, author = {Pandey, R. and Lele, A.} } @article {44587, title = {Modern trends in inorganic chemistry: celebration of inorganic chemistry in India}, journal = {Journal of Chemical Sciences}, volume = {130}, year = {2018}, month = {JUL}, pages = {Article Number: UNSP 75}, doi = {10.1007/s12039-018-1499-z}, author = {Chikkali, Samir H. and Anand, Venkataramanarao G. and Srinivas, Darbha and Kumbhar, Avinash S.} } @article {45588, title = {Modification of porous polyethylene scaffolds for cell attachment and proliferation}, journal = {International journal of nanomedicine}, volume = {13}, year = {2018}, month = {MAR}, pages = {87-90}, type = {Article}, abstract = {
Synthetic polymers are widely researched for their use in tissue engineering. Control in size, surface area, pore size, and elasticity are the biggest advantages of using a man-made polymer. However, often the polymers are hydrophobic (do not encourage cell attachment); hence, it is hugely challenging to integrate them with the normal tissues. Herein, we have tried to overcome this disadvantage of polymers by coating them with citrate-stabilized gold nanoparticles and arginine. High-density polyethylene, upon multiple treatments, shows low water contact angle, which encourages cell attachment and proliferation in comparison to the untreated polymers.
}, doi = {10.2147/IJN.S125000}, author = {Sengupta, P. and Surwase, S. S. and Prasad, B. L.} } @article {44593, title = {Modulated photochemical reactivities of O-acetylated (3{\textquoteright}, 5{\textquoteright}-dimethoxyphenyl) heteroaryl acyloin derivatives under direct irradiation and photo-induced electron transfer conditions}, journal = {Photochemical \& Photobiological Sciences}, volume = {17}, year = {2018}, month = {JUN }, pages = {835-845}, abstract = {
3{\textquoteright}, 5{\textquoteright}-Dimethoxybenzoin esters are important photoremovable protecting groups which form 2-phenylbenzofuran derivatives upon photo-release. We utilized a similar concept to test a photochemical method of installing a benzofuran moiety to the conjugated backbone by subjecting O-acetylated (3{\textquoteright}, 5{\textquoteright}-dimethylphenyl) heteroaryl acyloin derivatives through direct photo irradiation and a photo-induced electron transfer reaction. These photochemical methods were explored for a variety of heteroaromatic substrates appended on the ketone part of the O-acetylated cross-acyloin derivatives. The furan, thiophene and bithiophene derivatives led to the expected cyclized (benzofuran capped) products but the derivatives with extended conjugation decomposed under direct irradiation. However, under irradiation in the presence of an electron donor such as triethylamine, the extended acyloin derivatives afforded both cyclized and deacetoxylated products. The semiconducting nature of the extended cyclized products was also explored and tested for solution-processed organic field effect transistors, providing a maximum hole mobility of 1.3 x 10(-6) cm(2) V-1 s(-1).
}, issn = {1474-905X}, doi = {10.1039/c8pp00082d}, author = {Bisht, Rajesh and Singh, Saumya and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {44530, title = {Modulation of reactivity of singlet radical pair in continuous flow: photo-fries rearrangement}, journal = {Journal of Photochemistry and Photobiology A: Chemistry}, volume = {364}, year = {2018}, month = {JUN}, pages = { 316-321}, type = {Article}, abstract = {
Photo-Fries rearrangement of phenyl benzoate is studied using continuous flow for modulating the reactivity of singlet radical pair by changing the viscosity of the solvent. The effect of flow and proximity of the reactants with the light source on the reactivity of radical pair, formed from singlet excited state was investigated in details. In non-viscous solvent, the results from flow synthesis were comparable to batch reactor. In viscous solvents, selectivity of ortho- and para-isomers (o-/p- isomer) of the product could be controlled by changing viscosity as well as the flow rate. Using flow synthesis, ortho- and para-isomer ratio was obtained as high as 8.45 which are twice as compared to batch experiment with in fraction of residence time.
}, doi = {10.1016/j.jphotochem.2018.06.014}, author = {Karjule, Neeta and Sharma, Mrityunjay K. and Nithyanandhan, Jayaraj and Kulkarni, Amol} } @article {44531, title = {Molecular modeling studies and in vitro screening of dihydrorugosaflavonoid and its derivatives against mycobacterium tuberculosis}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {MAY}, pages = {10634-10643}, abstract = {
Novel drug regimens against tuberculosis (TB) are urgently needed and may be developed by targeting essential enzymes of Mtb that sustain the pathogenicity of tuberculosis. In the present investigation, series of compounds (5a-f and 6a-f) based on a naturally occurring rugosaflavonoid moiety were evaluated by in silico molecular modeling studies against -ketoacyl-ACP reductase (MabA) (PDB ID: IUZN) and pantothenate kinase (PanK) (PDB ID: ; 3AF3). Compounds 5a, 5c, 5d, and 6c, which had docking scores of -8.29, -8.36, -8.17 and -7.39 kcal mol(-1), respectively, displayed interactions with MabA that were better than those of isoniazid (-6.81 kcal mol(-1)). Similarly, compounds 5a, 5c, 5d, and 6c, which had docking scores of -7.55, -7.64, -7.40 and -6.7 kcal mol(-1), respectively, displayed interactions with PanK that were comparable to those of isoniazid (-7.64 kcal mol(-1)). Because of their docking scores, these compounds were screened in vitro against Mycobacterium tuberculosis H37Ra (Mtb) using an XRMA protocol. Among the screened compounds, the dihydrorugosaflavonoid derivatives 5a, 5c, and 5d had IC50 values of 12.93, 8.43 and 11.3 g mL(-1), respectively, and exhibited better inhibitory activity than the parent rugosaflavonoid derivatives. The rugosaflavonoid derivative 6c had an IC50 value of 17.57 g mL(-1). The synthesized compounds also displayed inhibitory activity against the Gram-positive bacteria Bacillus subtilis and Staphylococcus aureus. The present study will be helpful for the further development of these molecules into antitubercular lead candidates.
}, issn = {2046-2069}, doi = {10.1039/c8ra00636a}, author = {Puranik, Ninad V. and Srivastava, Pratibha and Swami, Sagar and Choudhari, Amit and Sarkar, Dhiman} } @article {45539, title = {Molecular signatures of cholesterol interaction with serotonin receptors.}, journal = {Advances in experimental medicine and biology}, volume = {1112}, year = {2018}, month = {NOV}, pages = {151-160}, type = {Article}, doi = {10.1007/978-981-13-3065-0_11} } @article {44391, title = {Molecular view of CO2 capture by polyethylenimine: role of structural and dynamical heterogeneity}, journal = {Langmuir}, volume = {34}, year = {2018}, month = {MAY}, pages = {5138-5148}, abstract = {The molecular thermodynamics and kinetics of CO2 sorption in Polyethylenimine (PEI) melt have been investigated systematically using GCMC and MD simulations. We elucidate presence of significant structural and dynamic heterogeneity associated with the overall absorption process. CO2 adsorption in a PEI membrane shows a distinct two-stage process of a rapid CO2 adsorption at the interfaces (hundreds of picoseconds) followed by a significantly slower diffusion limited release toward the interior bulk regions of PEI melt (hundreds of nanoseconds to microseconds). The spatial heterogeneity of local structural features of the PEI chains lead to significantly heterogeneous absorption characterized by clustering and trapping of CO2 molecules that then lead to subdiffusive motion of CO2. In the complex interplay of interaction and entropy, the latter emerges out to be the major determining factor with significantly higher solubility of CO2 near the interfaces despite having lower density of binding amine groups. Regions having higher free-volume (entropically favorable) viz. interfaces, pores and loops demonstrate higher CO2 capture ability. Various local structural features of PEI conformations, for example, inter- and intrachain loops, pores of different radii, and di- or tricoordinated pores are explored for their effects on the varying CO2 adsorption abilities.}, doi = {10.1021/acs.langmuir.8b00204}, author = {Sharma, Pragati and Chakrabarty, Suman and Roy, Sudip and Kumar, Rajnish} } @article {44637, title = {Morphological ensembles of N-doped porous carbon derived from ZIF-8/Fe-graphene nanocomposites: processing and electrocatalytic studies}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {AUG}, pages = {8688-8697}, abstract = {
Engineering the active site density of porous carbon catalysts for enhanced electrocatalytic activity is the current focus in the quest for economically viable fuel cells. Herein, we synthesise ZIF-8/Fe-graphene composites for the formation of N and Fe co-doped carbon with diverse morphologies ranging from tubes and sheets to frameworks of carbon. A synthetic strategy involving the one pot synthesis of ZIF-8 based composites is accomplished by the reaction of 2-methylimidazole with mixed Zn/Fe salt solution containing graphene dispersions. The high temperature heat treatment of this precursor mix yielded micro-meso porous architectures of N, Fe co-doped carbon with dispersions of Fe/Fe3C. An onset potential value of 0.95 V and a half-wave potential of 0.82 V coupled with excellent durability and stability in alkaline medium indicated improved electrocatalytic performances over its commercial Pt/C counterpart. The appreciable electrocatalytic properties of the synthesized carbon are attributed to its morphological diversity, hybrid structure, high N doping and its heteroporous characteristics. The dispersed Fe/Fe3C and FeNx sites facilitated enhanced oxygen adsorption and the graphene inclusions in the composite provided retention of high nitrogen contents.
}, keywords = {electrocatalyst, fuel cell, N- Fe co-doped carbon, oxygen reduction reaction, ZIF-8}, issn = {2365-6549}, doi = {10.1002/slct.201801419}, author = {Thomas, Minju and Illathvalappil, Rajith and Kurungot, Sreekumar and Nair, Balagopal N. and Mohamed, A. Peer and Anilkumar, Gopinathan M. and Yamaguchi, Takeo and Hareesh, U. S.} } @article {44632, title = {Morphology and thermophysical properties of non-aqueous titania nanofluids}, journal = {Heat and Mass Transfer}, volume = {54}, year = {2018}, month = {SEP}, pages = {2645-2650}, abstract = {
This work deals with the experimental investigation on thermophysical properties of TiO2-nanofluids and characterization of morphology and structure of TiO2 nanoparticles. Non-aqueous liquids like silicone oil and ethylene glycol are used as base fluids to prepare the nanofluids. Thermophysical properties including viscosity and thermal conductivity of these nanofluids are measured at different concentrations and temperatures. Results showed that silicone oil-based TiO2 nanofluid is Newtonian and the viscosity of this nanofluid increases with the loading of nanoparticles but it decreases nonlinearly with increasing temperature. Existing viscosity models are found unable to predict the viscosity of nanofluids. Although the effective thermal conductivities of both the silicone oil and ethylene glycol-based nanofluids increased with the TiO2 concentration, their enhanced thermal conductivity was found to decrease with increasing temperature.
}, issn = {0947-7411}, doi = {10.1007/s00231-018-2308-4}, author = {Murshed, S. M. S. and Santos, F. J. V. and Nieto de Castro, C. A. and Patil, V. S. and Patil, K. R.} } @article {44532, title = {Multi-faceted role of melatonin in neuroprotection and amelioration of tau aggregates in alzheimer{\textquoteright}s disease}, journal = {Journal of Alzheimers Disease}, volume = {62}, year = {2018}, month = {MAY}, pages = {1481-1493}, abstract = {
Alzheimer{\textquoteright}s disease (AD) is one of the major age related neurodegenerative diseases whose pathology arises due to the presence of two distinct protein aggregates, viz., amyloid-beta plaques in extracellular matrix and tau neurofibrillary tangles in neurons. Multiple factors play a role in AD pathology, which includes familial mutations, oxidative stress, and post-translational modifications. Melatonin is an endocrine hormone, secreted during darkness, derived from tryptophan, and produced mainly by the pineal gland. It is an amphipathic molecule, which makes it suitable to cross not only blood-brain barrier, but also to enter several other subcellular compartments like mitochondria and endoplasmic reticulum. In this context, the neuroprotective effect of melatonin may be attributed to its role as an antioxidant. Melatonin{\textquoteright}s pleiotropic function as an antioxidant and neuroprotective agent has been widely studied. However, its direct effect on the aggregation of tau and amyloid-beta needs to be explored. Furthermore, an important aspect of its function is its ability to regulate the process of phosphorylation of tau by affecting the function of kinases and phosphatases. In this review, we are focusing on the pleiotropic function of melatonin on the aspect of its neuroprotective function in tau pathology, which includes antioxidant function, regulation of enzymes, including kinases and enzymes involved in free radical scavenging and mitochondrial protection.
}, keywords = {Alzheimer{\textquoteright}s disease, hyperphosphorylation, melatonin, mitochondria, Protein aggregation, tau protein}, issn = {1387-2877}, doi = {10.3233/JAD-170900}, author = {Balmik, Abhishek Ankur and Chinnathambi, Subashchandrabose} } @article {44534, title = {Multifunctional activated carbon with antimicrobial property derived from Delonix regia biomaterial for treatment of wastewater}, journal = {Journal of Environmental Chemical Engineering }, volume = {6}, year = {2018}, month = {FEB}, pages = {169-181}, abstract = {In this work, we report the development of a multifunctional high surface area activated carbon (DRP), from a biomaterial, Delonix regia, with antimicrobial potential and demonstrated its applicability towards removal of two reactive dyes, Reactive Red (RR-120) and Reactive Blue (RB-4) with an adsorption capacity of \~{}6.36 and 24 mg{\textperiodcentered}g-1 respectively. The newer multifunctional activated carbon was prepared from the deseeded pods of Delonix regia through thermo-chemical surface modification and characterized for surface and morphological characteristics, chemical composition, and thermal stability. DRP exhibited a high surface area of 1577 m2{\textperiodcentered}g-1 with various active functional groups. The decolourisation efficiency achieved was very high, \~{}98\% for both the dyes. The effects of various operating parameters like pH, initial dye concentration, adsorbent dosage, surfactant, salt etc. were investigated and the batch adsorption equilibrium data in each dye system was analyzed with various isotherms-Langmuir, Freundlich, and Tempkin. The kinetics of the adsorption process was best represented by pseudo-second order kinetic model and the adsorption efficiency was also illustrated in the binary system of varying dye compositions. DRP could successfully reduce the microbial growth of Gram positive B. subtilis with a higher zone of inhibition.}, doi = {10.1016/j.jece.2017.11.056}, author = {Louis, Mary R. and Sorokhaibam, Laxmi Gayatri and Bhandari, Vinay M. and Bundale, Sunita} } @article {44648, title = {Multi-step continuous flow synthesis of the cystic fibrosis medicine ivacaftor}, journal = {Reaction Chemistry \& Engineering}, volume = {3}, year = {2018}, month = {AUG}, pages = {520-526}, abstract = {
A continuous flow ozonolysis method combined with a multi-step flow sequence is developed for the synthesis of the drug ivacaftor for the first time. Safe ozonolysis, a continuous flow quadruple reaction to construct a quinolone scaffold, and inline extraction followed by continuous phase separation are the key features of the present work. The feasibility of using a continuous mixed flow reactor, commonly referred to as a continuous stirred tank reactor (CSTR), is also investigated for the relatively slow reaction step. The current integrated multi-step flow synthesis can produce 7.2 g of the drug ivacaftor per day on a laboratory scale, which is sufficient to treat 50 patients per day. The present route can also be used as a general route for the synthesis of other related drugs such as quinolone antibiotics.
}, issn = {2058-9883}, doi = {10.1039/c8re00025e}, author = {Vasudevan, N. and Sharma, Mrityunjay K. and Reddy, D. Srinivasa and Kulkarni, Amol A.} } @article {44653, title = {Multistimuli-responsive interconvertible low-molecular weight metallohydrogels and the in situ entrapment of CdS quantum dots therein}, journal = {Chemistry of Materials}, volume = {30}, year = {2018}, month = {JUL}, pages = {4755-4761}, abstract = {
Two low molecular weight metallohydrogels (ZALA and CALA) have been synthesized from an amino-acid based ligand precursor (LA) and two different metal salts [zinc acetate dihydrate (ZA) and cadmium acetate dihydrate (CA), respectively. These two hydrogels show a unique chemically stimulated interconversion to each other via a reversible gel-sol gel pathway. This programmable gel-sol reversible system satisfies logic operations of a basic Boolean logic (INHIBIT) gate. Also, these hydrogels can be degraded into different MOF phases at room temperature spontaneously or in the presence of chloride and bromide salts (NaCl and NaBr.). CdS quantum dots can be grown inside the CALA gel matrix (CdS@CALA) in the presence of small amount of Na2S. This CdS doped gel exhibits time dependent tunable emission (white to yellow to orange) as a consequence of a slow agglomeration process of the entrapped quantum dots inside the gel matrix. This luminescence property also reflects the corresponding gel derived MOFs (obtained either by self-degradation of CdS@CALA or via anion induction) as well. This, to the best of our knowledge, is probably the simplest way to make a CdS quantum dot based composite material where CdS is entrapped within the gel and the gel-derived MOF matrix.
}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.8b01698}, author = {Bera, Saibal and Chakraborty, Amit and Karak, Suvendu and Halder, Arjun and Chatterjee, Soumyajyoti and Saha, Subhadeep and Banerjee, Rahul} } @article {44185, title = {Naphthalene diimide copolymers by direct arylation polycondensation as highly stable supercapacitor electrode materials}, journal = {Macromolecules}, volume = {51}, year = {2018}, month = {FEB}, pages = {954-965}, type = {Article}, abstract = {
Conjugated donor-acceptor copolymers based on naphthalene diimide (NDI) as acceptor and thiopheneterminated oligophenylenevinylene as donor moieties (P-1 and P-2, respectively) were synthesized using the direct (hetero) arylation (DHAP) polymerization route. Nitrile groups were introduced at the vinylene linkage in one copolymer (P-2) to fine-tune its electrochemical properties. Both polymers show) pi-pi* transition in the 300-480 nm region and intramolecular charge transfer (ICT) from thiophene to NDI in the 500-800 nm region in the absorption spectra. P-2 exhibits a blue-shifted intramolecular charge transfer (ICT) band in the absorption spectrum as well as a lower reduction potential in the cyclic voltammogram compared to the analogous polymer without the nitrile substitution (P-1). The two polymers were evaluated as type III supercapacitor materials by preparing composite electrodes with carbon nanotubes (CNTs) and employing 0.5 M H2SO4 as the electrolyte. Their performance was compared with that of P(NDI2OD-T2) as a reference polymer. The polymer P-2 based supercapacitor exhibits a specific capacitance of 124 F/g with excellent stability up to 5000 cycles with almost 100\% retention of the initial capacitance in the potential window of -0.7 to 0.5 V. Compared to P-2, P-1 exhibits a specific capacitance of 84 F/g, while the corresponding value for the reference polymer P(NDI2OD-T2) is 61 F/g under identical conditions.
}, issn = {0024-9297}, doi = {10.1021/acs.macromol.7b02425}, author = {Sharma, Sandeep and Soni, Roby and Kurungot, Sreekumar and Asha, S. K.} } @article {45399, title = { A new class of N-doped ionic PAHs via intramolecular [4+2]-cycloaddition between arylpyridines and alkynes}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {OCT}, pages = {11909-11912}, type = {Article}, abstract = {Reported herein, for the first time, is a copper-promoted intramolecular [4+2]-cycloaddition cascade to access ionic N-doped polycyclic aromatic hydrocarbons (PAHs) with tunable emission wavelengths. It is shown that the reaction can be made catalytic with respect to Cu(OTf)(2) when an external oxidant, Selectfluor, was used.}, issn = { 1359-7345}, doi = {10.1039/c8cc05743e}, author = {Mule, Ravindra D. and Shaikh, Aslam C. and Gade, Amol B. and Patil, Nitin T.} } @article {44365, title = {New insights towards strikingly improved room temperature ethanol sensing properties of p-type Ce-doped SnO2 sensors}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {MAY}, pages = {Article Number: 8079}, type = {Article}, abstract = {In this article, room temperature ethanol sensing behavior of p-type Ce doped SnO2 nanostructures are investigated successfully. Interestingly, it is examined that the abnormal n to p-type transition behavior is caused by Ce doping in SnO2 lattice. In p-type Ce doped SnO2, Ce ion substituting the Sn is in favor of generating excess holes as oxygen vacancies, which is associated with the improved sensing performance. Although, p-type SnO2 is one of the important materials for practical applications, it is less studied as compared to n-type SnO2. Pure and Ce doped SnO2 nanostructures were successfully synthesized by chemical co-precipitation method. The structure, surface morphology, unpaired electrons (such as free radicals), and chemical composition of obtained nanoparticleswere studied by various kinds of characterization techniques. The 9\% Ce doped SnO2 sensors exhibit maximum sensor response of similar to 382 for 400 ppm of ethanol exposure with fast response time of similar to 5 to 25 sec respectively. Moreover, it is quite interesting that such enhancement of ethanol sensing is unveiled at room temperature, which plays a key role in the quest for better ethanol sensors. These remarkably improved sensing results are attributed to uniformly distributed nanoparticles, lattice strain, complex defect chemistry and presence of large number of unpaired electrons on the surface.}, doi = {10.1038/s41598-018-26504-3}, author = {Kumar, Manjeet and Bhatt, Vishwa and Abhyankar, A. C. and Kim, Joondong and Kumar, Akshay and Patil, Sagar H. and Yun, Ju-Hyung} } @article {45395, title = {New strategy toward a dual functional nanocatalyst at ambient conditions: influence of the Pd-Co interface in the catalytic activity of Pd@Co core-shell nanoparticles}, journal = { ACS Applied Materials \& Interfaces }, volume = {10}, year = {2018}, month = {DEC }, pages = {41268-41278}, type = {Article}, abstract = {
Bimetallic nanostructures with a combination of noble and nonnoble metals hold promise for improving catalyst activity and selectivity. Here, we report the synthesis of Pd@Co (PC) core shell morphology nanoparticles with three different ratios of palladium (Pd) and cobalt (Co), and a possibility to fine tune the ratio of core and shell thickness. PC exhibits superior and selective hydrogenation as well as oxidation catalytic activity at ambient or near-ambient conditions. Various characterization techniques have been employed to confirm the core shell morphology. Without any pre-treatment or activation, fresh catalysts with different Pd to Co ratios, that is, 2:1, 1:1, and 1:2, were subjected to olefin (phenylacetylene) hydrogenation and oxidation (styrene to styrene oxide) reaction. The catalytic activity results demonstrate that the 1:1 ratio of Pd/Co is the most active composition for controlled and stepwise reduction of phenyl acetylene to styrene and then to ethyl benzene; 1:1 Pd/Co shows 100\% styrene conversion in 30 min. with an order of magnitude higher turnover frequency than other catalysts. The 1:1 PC ratio is also the most active composition for selective oxidation of styrene to styrene oxide. NAPXPS (near-ambient pressure XPS) results show that the active sites for catalytic hydrogenation and oxidation reaction are Co and Co3+, respectively. However, the superior catalytic performance can be attributed to Co (for reduction) or Co3+ (for oxidation), and the Pd Co interface plays a critical role in stabilizing the required functional character. NAPXPS results confirm that the superior catalytic performance can be attributed not only to Co or Co3+, but also to the Pd Co interface. The electronic effect and synergism between Co and Pd helps Co to stabilize in different oxidation states depending on the reaction conditions, and making it a dual functional catalyst.
}, issn = {1944-8244}, doi = {10.1021/acsami.8b12940}, author = {Jain, Ruchi and Gopinath, Chinnakonda S.} } @article {44644, title = {N-Heterocyclic carbene-catalyzed enantioselective synthesis of spiro-glutarimides via alpha,beta-unsaturated acylazoliums}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {AUG}, pages = {4499-4503}, abstract = {
NHC-catalyzed enantioselective [3 + 3] spiro-annulation of alpha,beta-unsaturated aldehydes with cyclic beta-ketoamides allowing the preparation of synthetically and biologically important spiro-glutarimide derivatives has been reported. The interception of the ketoamides with catalytically generated chiral alpha,beta-unsaturated acylazoliums proceeds in a Michael addition-intramolecular amidation pathway to deliver the spirocyclic products with good yield, diastereoselectivity, and enantioselectivity.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b01799}, author = {Mondal, Santigopal and Ghosh, Arghya and Mukherjee, Subrata and Biju, Akkattu T.} } @article {44535, title = {N-Heterocyclic carbene-catalyzed michael-michael-lactonization cascade for the enantioselective synthesis of tricyclic delta-lactones}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {MAY}, pages = {2952-2955}, abstract = {
Enantioselective synthesis of tricyclic delta-lactones with three contiguous stereocenters has been demonstrated by the N-heterocyclic carbene (NHC)-catalyzed functionalization of benzylic C(sp(3))-H bonds. The NHC-catalyzed reaction of enals with dinitrotoluene derivatives under oxidative conditions proceeds via the chiral alpha,beta-unsaturated acylazoliums and produces the delta-lactones in good yields and excellent diastereoselectivity and enantioselectivity. This mild and atom-economic cascade reaction takes place in a Michael/Michael/lactonization sequence and tolerates a broad range of functional groups.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b00998}, author = {Mukherjee, Subrata and Ghosh, Arghya and Marelli, Udaya Kiran and Biju, Akkattu T.} } @article {44621, title = {N-Heterocyclic carbene-catalyzed synthesis of alpha-trifluoromethyl esters}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {JUL}, pages = {3897-3901}, abstract = {
The N-heterocyclic carbene (NHC)-catalyzed trifluoromethylation of alpha-chloro aldehydes was developed, allowing straightforward access to valuable alpha-trifluoromethyl ester derivatives. The unique combination of an electrophilic trifluoromethylation reagent with NHC catalysis was the key for the functionalization of a broad range of alpha-chloro aldehydes, and the products are formed in moderate to good yields. Investigations of the enantioselective version of this reaction afforded the enantioenriched products in moderate yields with good ee values.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b01482}, author = {Gelat, Fabien and Patra, Atanu and Pannecoucke, Xavier and Biju, Akkattu T. and Poisson, Thomas and Besset, Tatiana} } @article {45471, title = { Ni-catalyzed alpha-alkylation of unactivated amides and esters with alcohols by hydrogen auto-transfer strategy }, journal = {CHEMSUSCHEM}, volume = {11}, year = {2018}, month = {NOV}, pages = {3911-3916}, type = {Article}, abstract = {A transition-metal-catalyzed borrowing hydrogen/hydrogen auto-transfer strategy allows the utilization of feedstock alcohols as an alkylating partner, which avoids the formation of stoichiometric salt waste and enables a direct and benign approach for the construction of C-N and C-C bonds. In this study, a nickel-catalyzed alpha-alkylation of unactivated amides and ester (tert-butyl acetate) is carried out by using primary alcohols under mild conditions. This C-C bond-forming reaction is catalyzed by a new, molecularly defined nickel(II) NNN-pincer complex (0.1-1 mol \%) and proceeds through hydrogen auto-transfer, thereby releasing water as the sole byproduct. In addition, N-alkylation of cyclic amides under Ni-catalytic conditions is demonstrated.}, doi = {10.1002/cssc.201801443}, author = {Midya, Siba P. and Rana, Jagannath and Pitchaimani, Jayaraman and Nandakumar, Avanashiappan and Madhu, Vedichi and Balaraman, Ekambaram} } @article {45479, title = {Ni-catalyzed dehydrogenative coupling of primary and secondary alcohols with methyl-N-heteroaromatics}, journal = {Organic Chemistry Frontiers}, volume = {5}, year = {2018}, month = {NOV}, pages = {3250-3255}, type = {Article }, abstract = {Here we report the first base-metal catalyzed dehydrogenative coupling of primary (aromatic, heteroaromatic, and aliphatic) and secondary alcohols with methyl-N-heteroaromatics to form various C(sp(3))-alkylated N-heteroaromatics. The reaction is enabled by Earth abundant, non-precious NiBr2 as a transition metal catalyst and N,N,N,N-tetramethylethylenediamine (TMEDA) as a ligand system. Mechanistic studies reveal that a hydrogen auto-transfer process is involved in the direct C(sp(3))-alkylation and the reaction proceeds through an -olefination process.}, doi = {10.1039/c8qo00764k}, author = {Rana, Jagannath and Babu, Reshma and Subaramanian, Murugan and Balaraman, Ekambaram} } @article {45440, title = {Ni-Catalyzed dimerization and hydroperfluoroarylation of 1,3-dienes}, journal = {Journal of Organic Chemistry}, volume = { 83 }, year = {2018}, month = {AUG}, pages = {9267-9277}, type = {Article}, doi = {10.1021/acs.joc.8b01266}, author = {Iwasaki, Takanori and Min, Xin and Fukuoka, Asuka and Zhu, Longzhi and Qiu, Renhua and Yang, Tao and Ehara, Masahiro and Sudalai, Arumugam and Kambe, Nobuaki} } @article {45396, title = { Nickel-catalyzed regioselective C(2)-H difluoroalkylation of indoles with difluoroalkyl bromides}, journal = {Chemistry-An Asian Journal}, volume = {13}, year = {2018}, month = {SEP}, pages = {2516-2521}, type = {Article}, abstract = {Regioselective C(2)-H difluoroalkylation of C-3 unsubstituted indoles with commonly available fluoroalkyl bromides is successfully achieved employing a simple nickel catalyst system, (DME)NiCl2/Xantphos. This methodology shows excellent regioselectivity and exhibits a broad substrate scope. Various functional groups, such as -OMe, -F, and -Br, are tolerated on the indole backbone to give the difluoroalkylated products in moderate to good yields. Preliminary mechanistic findings demonstrate that the reaction is homogeneous in nature and involves a radical manifold. Synthetic utility of this nickel-catalyzed method is demonstrated by synthesizing melatonin receptor antagonist Luzindole derivative.}, doi = {10.1002/asia.201800504}, author = {Soni, Vineeta and Sharma, Dipesh M. and Punji, Benudhar} } @article {44537, title = {Ni(OH)(2)-Fe2O3/CNOs ternary nanocomposite designed as an anode with complementary properties for high-performance li-ion battery}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {FEB}, pages = {2286-2292}, type = {Article }, abstract = {
Synthesis of the new ternary hybrid composite with excellent electrochemical performances for Li-ion battery is demonstrated. The ternary hybrid composite of Ni(OH)(2)-Fe2O3/Carbon Nano Onions (NFOC) is synthesized by using two-step solution phase method delivers a high reversible discharge capacity of 928 mAhg(-1) at 50 mAg(-1) and 673 mAhg(-1) at a higher current density of 1000 mAg(-1) with excellent rate performance. Additionally, it shows to have stable cycle life up to 1000 cycles with 96\% capacity retention and more than 99\% of coulombic efficiency. The synergetic effect between Ni(OH)(2), Fe2O3 and carbon nano onions (CNOs) as well as the unique feature of heterostructures are responsible for the improved electrochemical performance of the battery. The reversible reaction of Fe2O3 and Ni(OH)(2) with Li, maintains its long cycle life with higher reversible discharge capacity and CNOs improve the efficient electronic transfer, accommodate substantial volume expansion and maintain the structural integrity of the material during lithiation-delithiation process.
}, keywords = {Heterostructures, Long cycle stability, Superior rate capability, Ternary Composite, Transition metal oxides}, issn = {2365-6549}, doi = {10.1002/slct.201702779}, author = {Dwivedi, Pravin Kumari and Muniraj, Vedi Kuyil Azhagan and Devarapalli, Rami Reddy and Shelke, Manjusha V.} } @article {45474, title = { Nitrosporeusine analogue ameliorates Chandipura virus induced inflammatory response in CNS via NF kappa b inactivation in microglia}, journal = {PLOS Neglected Tropical Diseases}, volume = {12}, year = {2018}, month = {JUL}, type = {Article}, abstract = {Chandipura Virus (CHPV), a negative-stranded RNA virus belonging to the Rhabdoviridae family, has been previously reported to bring neuronal apoptosis by activating several factors leading to neurodegeneration. Following virus infection of the central nervous system, microglia, the ontogenetic and functional equivalents of macrophages in somatic tissues gets activated and starts secreting chemokines, thereby recruiting peripheral leukocytes into the brain parenchyma. In the present study, we have systemically examined the effect of CHPV on microglia and the activation of cellular signalling pathways leading to chemokine expression upon CHPV infection. Protein and mRNA expression profiles of chemokine genes revealed that CHPV infection strongly induces the expression of CXC chemokine ligand 10 (CXCL10) and CC chemokine ligand 5 (CCL5) in microglia. CHPV infection triggered the activation of signalling pathways mediated by mitogen-activated protein kinases, including p38, JNK 1 and 2, and nuclear factor kappa B (NF-kappaB). CHPV-induced expression of CXCL10 and CCL5 was achieved by the activation of p38 and NF-kappaB pathways. Considering the important role of inflammation in neurodegeneration, we have targeted NF-kappaB using a newly synthesised natural product nitrosporeusine analogue and showed incapability of microglial supernatant of inducing apoptosis in neurons after treatment.}, issn = {1935-2735}, doi = {10.1371/journal.pntd.0006648}, author = {Verma, Abhishek Kumar and Waghmare, Trushnal S. and Jachak, Gorakhnath R. and Philkhana, Satish Chandra and Reddy, D. Srinivasa and Basu, Anirban} } @article {44597, title = {N-Methylation of isoDGR peptides: discovery of a selective alpha 5 beta 1-integrin ligand as a potent tumor imaging agent}, journal = {Journal of Medicinal Chemistry}, volume = {61}, year = {2018}, month = {MAR}, pages = {2490-2499}, type = {Article}, abstract = {
Specific targeting of the integrin subtype alpha 5 beta 1 possesses high potential in cancer diagnosis and therapy. Through sequential N-methylation, we successfully converted the biselective alpha 5 beta 1/alpha v beta 6 peptide c(phg-isoDGR-k) into a potent peptidic RGD binding aSfil subtype selective ligand c(phg-isoDGR-(NMe)k). Nuclear magnetic resonance spectroscopy and molecular modeling clarified the molecular basis of its improved selectivity profile. To demonstrate its potential in vivo, c(phg-isoDGR-(NMe)k) was trimerized with the chelator TRAP and used as a positron-emission tomography tracer for monitoring alpha 5 beta 1 integrin expression in a M21 mouse xenograft.
}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.7b01752}, author = {Kapp, Tobias G. and Di Leva, Francesco Saverio and Notni, Johannes and Raeder, Andreas F. B. and Fottner, Maximilian and Reichart, Florian and Reich, Dominik and Wurzer, Alexander and Steiger, Katja and Novellino, Ettore and Marelli, Udaya Kiran and Wester, Hans-Juergen and Marinelli, Luciana and Kessler, Horst} } @article {45579, title = {Nonconventional method for drying of Pseudomonas aeruginosa and its comparison with conventional methods}, journal = {Drying Technology}, volume = {37}, year = {2018}, month = {MAY}, pages = {839-853}, type = {Article}, abstract = {
In this study, preparation of dried cultures of Pseudomonas aeruginosa using nonconventional drying method, namely, low-temperature low-humidity (LTLH) drying was investigated. The effect of carrier materials (whey protein, corn starch, and trehalose) was examined one at a time and also in combinations (to explore the synergistic effect). The results were compared with those obtained using spray drying and freeze drying in terms of cell survival and dry cell powder yield. The powder samples were analyzed also for morphology, flowability, particle size, and moisture content. In LTLH drying, good cell survival was observed along with high powder yield when compared with that in spray drying. Corn starch showed the highest cell survival (91\%) and powder yield (94\%, w/w) among the carrier materials employed besides resulting in good cell survival (65\%) even after a storage period of 6 months.
}, keywords = {cell survival, Encapsulation, freeze drying, Low-temperature low-humidity (LTLH) drying, Pseudomonas aeruginosa, spray drying}, issn = {0737-3937}, doi = {10.1080/07373937.2018.1469140}, author = {Umashankar, K., and Chandralekha, A. and Dandavate, T., and Tavanandi, H. A. and Raghavarao, K. S. M. S.} } @article {44538, title = {Non-isothermal analysis of extrusion film casting using multi-mode Phan-Thien Tanner constitutive equation and comparison with experiments}, journal = {Rheologica Acta}, volume = {57}, year = {2018}, month = {JUL}, pages = {493-503}, abstract = {
Extrusion film casting (EFC) is an industrially important process which produces thousands of tons of polymer films, sheets, and coating used for various industrial as well as household applications. In this paper, we focus on an instability which occurs during certain polymer processing operations operating under predominantly elongational flow, such as extrusion film casting and fiber spinning. This instability, called the draw resonance, occurs in the form of sustained periodic fluctuations in the film dimensions. It appears when the process goes beyond the critical line speed of the EFC process. In this work, a conventional linear stability analysis is carried out for nonisothermal EFC process to determine the onset of the draw resonance. The polymer rheology is modeled by the Phan-Thien Tanner (PTT) multi-mode constitutive equation. For the implementation, a conventional shooting method approach is used. Extrusion film casting experiments were also carried out using a conventional linear low-density polyethylene (LLDPE) by varying process parameters such as draw ratio and aspect ratio, to observe the effect on the stability of the process. Linear stability analysis results under non-isothermal conditions are compared and validated with existing results from literature and with our own experimental data. This work displays the effect of multiple relaxation modes as well as the temperature influence on the stability of EFC process. Finally, results also indicate that the temperature highly affects the stability of the EFC process and cannot be ignored from modeling of EFC process.
}, keywords = {Deborah number, Draw resonance, Film extrusion, Multi-mode, Nonisothermal, stability}, issn = {0035-4511}, doi = {10.1007/s00397-018-1095-7}, author = {Chougale, Sanket and Rokade, Dhammaraj and Bhattacharjee, Tanushree and Pol, Harshawardhan and Dhadwal, Renu} } @article {45388, title = {Novel 2,4-dimethyl-5-((E)-3-phenyl-3-oxoprop-1-enyl)-1H-pyrrole-3-carboxylic acid derivatives: new leads in cancer and bacterial chemotherapy}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {SEP}, pages = {9571-9575}, type = {Article}, abstract = {
The efficiently designed and synthesized novel 2,4-dimethyl-5-((E)-3-phenyl-3-oxoprop-1-enyl)-1H-pyrrole-3-carboxylic acid derivatives has been described here which is encouraged by the anticancer activities associated with sunitinib and semaxanib. Synthesized compounds were characterized by (HNMR)-H-1, (CNMR)-C-13 and high-resolution mass spectrometry (HRMS). They are evaluated for invitro antiproliferative properties on cancer cell lines as well as antibacterial activity against gram-positive and gram-negative species. The bioassay results revealed that several compounds exhibit potential antiproliferation activity. Among them, the lead compound 2,2,2-trifluoroethyl 5-((E)-3-(3-fluoro-4-(trifluoromethyl)phenyl)-3-oxoprop-1-enyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (9g) showed the most potent anticancer activity against MDA-MB-231 and PC-3 cancer cell line with GI(50) values of 5.51 and 5.15 mu g/mL and subsequently more active than sunitinib (GI(50): 6.50 mu g/mL) against PC-3. Same compound 9g also exhibits the most potent antibacterial activity against gram-positive bacteria Bacillus subtilis and Staphylococcus aureus with IC50 of 1.44 and 1.54 mu g/mL. In silico prediction, shows that all seven potent compounds obeyed Lipinski rule for druglikeness. Structure-activity relationship (SAR) study reflect the activity enhance with electron withdrawing group on aryl ring and replacement of acid by its bioisosteres i.e. amide and ester group. These studies have successfully identified many newly synthesized compounds as potential anticancer as well as antibacterial agent for further development.
}, doi = {10.1002/slct.201801458}, author = {Rasal, Nishant K. and Sonawane, Rahul B. and Choudhari, Amit S. and Chakraborty, Shakti S. and Sarkar, Dhiman D. and Jagtap, Sangeeta, V.} } @article {44607, title = {Novel benzylidenehydrazide-1,2,3-triazole conjugates as antitubercular agents: synthesis and molecular docking}, journal = {Mini Reviews in Medicinal Chemistry}, volume = {18}, year = {2018}, month = {JUL}, abstract = {Novel 1,2,3-triazole based benzylidenehydrazide derivatives were synthesized and evaluated for antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra, M. bovis BCG and cytotoxic activity. Most of the derivatives exhibited promising in vitro potency against MTB characterized by lower MIC values. Among all the synthesized derivatives, compound 6a and 6j were the most active against active and dormant MTB H37Ra, respectively. Compound 6d was significantly active against dormant and active M. bovis BCG. The structure activity relationship has been explored on the basis of anti-tubercular activity data. The active compounds were also tested against THP-1, A549 and Panc-1 cell lines and showed no significant cytotoxicity. Further, the synthesized compounds were found to have potential antioxidant with IC50 range = 11.19-56.64 μg/mL. The molecular docking study of synthesized compounds was performed against DprE1 enzyme of MTB to understand the binding interactions. Moreover, synthesized compounds were also analysed for ADME properties and from all the experimental results, the potency of compounds indicate that, this series considered as starting point for the developement of novel and more potent anti-tubercular agents in future.}, doi = {10.2174/1389557518666180718124858}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar and Nawale, Laxman and Sarkar, Dhiman and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash and Shingate, Bapurao B.} } @article {44219, title = {Novel pentadecyl phenol-tagged L-tryptophan molecules: synthesis, self- assembly and liquid crystalline properties}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {JAN}, pages = {108-115}, type = {Article}, abstract = {
The paper describes the self-assembly and liquid crystalline properties of pentadecylphenol tagged L-tryptophan molecules having ester and amide functionality. We have synthesized a series of molecules having mono and ditryptophan moieties attached to pentadecylphenol through amide or ester linkage. The fluorescence properties of the Boc-L-tryptophan-pentadecylphenol molecules were measured in methanol and found to aggregate beyond the critical aggregation concentration and self-assembled to give spherical structures. Upon deprotection of Boc group, the amine end group got involved in extended hydrogen bonding and fibril like structures were developed. These molecules also showed liquid crystalline behavior in hydrogen bonding solvents such as benzyl alcohol and showed needle like crystals in tert-butanol, as analyzed by polarized optical light microscopy.
}, keywords = {Cardanol, liquid crystalline, pentadecylphenol, Self-assembly, Tryptophan}, issn = {2365-6549}, doi = {10.1002/slct.201702171}, author = {Parappurath, Akhil and Abraham, Jancy Nixon} } @article {45365, title = { Novel pharmaceutical salts of albendazole}, journal = {Crystengcomm}, volume = {20}, year = {2018}, month = {NOV}, pages = { 6394-6405}, type = {Article}, abstract = {Albendazole (ABZ) is a class II safe and effective antihelmintic drug in the benzimidazole group according to the BCS (Biopharmaceutics Classification System) with low solubility (9 mg L-1) and high permeability (log P 2.54). Novel salts and salt hydrates of ABZ are reported with benzene and p-toluene sulfonic acid (BSA, PTSA), as well as carboxylic acids such as oxalic acid (OA), maleic acid (MLE), L-tartaric acid (LTA), 2,6-dihydroxybenzoic acid (2,6-DHBA), and 2,4,6-trihydroxybenzoic acid (2,4,6-THBA). The products ABZ-BSA, ABZ-BSA-H, ABZ-PTSA, ABZ-PTSA-H, ABZ-OA-H and ABZ-2,6-DHBA were confirmed by single crystal X-ray diffraction. In the hydrate structures (designated as -H), the water molecule acts as a bridge in the hydrogen bonding network. The salt formation of ABZ-MLE, ABZ-LTA, and ABZ-2,4,6-THBA was confirmed by N-15 ss-NMR based on the chemical shift change of ca. 50 ppm. The sulfonate salt hydrates exhibit 2D isostructurality, and position disorder in the thiopropyl group in the drug crystal structure was not observed in the salts. Crystal lattice energies were calculated for the MLE, LTA, and 2,4,6-THBA complexes of ABZ to confirm the molecular salt formation. The cocrystals of ABZ with the hydroxybenzene carboxylic acids are novel salts in the benzimidazole drugs class.}, author = {Bolla, Geetha and Nangia, Ashwini} } @article {44387, title = {Novel red fluorescence protein based microplate assay for drug screening against dormant mycobacterium tuberculosis by using paraffin}, journal = {Tuberculosis}, volume = {110}, year = {2018}, month = {MAY}, pages = {15-19}, abstract = {
The hypoxia model of dormancy is widely used in drug screening programs to identify novel inhibitors against latent Mycobacterium tuberculosis disease. In earlier reported microplate assays, hypoxia was maintained by either sealing the microplate or shifting in an anaerobic chamber to develop dormant phenotype. In these assays, inhibitors were added during inoculation, which mainly represents the active stage inhibitors instead of the dormant ones. Herein, the culture was covered with paraffin to develop hypoxia condition and consequently providing the advantage of adding compounds at any stage during incubation of 96-well plate. The stable expression of the red fluorescent protein in the bacilli under both actively growing as well as dormant conditions also facilitate the reliable estimation of growth and inhibition kinetics of bacilli in medium. Furthermore, S/N ratio and Z{\textquoteright} factor of this assay were found to be \> 27 and 0.91-0.94 respectively, which confirm the robustness of the protocol. This newly developed drug-screening assay offers an easy, inexpensive, safe and high throughput-screening tool to search novel antitubercular inhibitors against both active and dormant bacilli. The red fluorescent H37Ra strain is a suitable surrogate for the more virulent H37Rv strain, and thus this effort will help in combating latent tuberculosis.
}, doi = {10.1016/j.tube.2018.02.008}, author = {Yeware, Amar and Sarkar, Dhiman} } @article {44364, title = {Novel synthesis of immobilized bronsted- acidic ionic liquid: application in lignin depolymerization}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {MAY}, pages = {5461-5470}, type = {Article}, abstract = {Designing of efficient catalyst for the valorization of lignin is a topic of long neglect due to intrinsic properties of lignin. We show designing of an efficient, stable and recyclable Immobilized-Bronsted acidic ionic liquid (I-BAIL), which was further used as a solid acid catalyst for the depolymerization of lignin. The synthesized I-BAIL catalyst with sulfonic acid (-SO3H) groups was found to be stable until 250 degrees C and has 42.2 wt.\% loading of BAIL anchored on silica framework. The detailed characterization (elemental, Thermogravimetric analysis, Fourier transformation-infrared, Nuclear magnetic resonance) of catalyst disclosed formation of strong covalent bond between Si and carbon of BAIL, which in turn is responsible for achieving a stable catalyst. The catalyst could successfully depolymerize range of lignin substrates with high molecular weight (60000 Dalton) at 200(degrees)C in 1 h to achieve 90\% yield of tetrahydrofuran soluble products with good mass balance. The formation of products and correlation of products with lignin was achieved with the help of Nuclear magnetic resonance, gel permeation chromatography, gas chromatography, gas chromatography-mass spectrometry, high performance liquid chromatography etc.}, doi = {10.1002/slct.201703050}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {44363, title = {Nucleic aptamer modified porous reduced graphene oxide/MoS2 based electrodes for viral detection: application to human papillomavirus (HPV)}, journal = {Sensors and Actuators B-Chemical}, volume = {262}, year = {2018}, month = {JUN}, pages = {991-1000}, type = {Article}, abstract = {Next to graphene nanomaterials, molybdenum disulfide (MoS2) offers large surface area that can enhance its biosensing performance. In this work, we investigate the performance of glassy carbon (GC) electrodes modified successively with porous reduced graphene oxide (prGO) and molybdenum sulfide (MoS2) for the sensitive and selective detection of the L1-major capsid protein of human papilloma virus (HPV). Owing to the difficulties to perform serological assays and HPV culture efficiently, tools based on molecular recognition are becoming of great importance. We developed here an electrochemical sensor for HPV upon covalent functionalization of the electrode with an aptamer Sc5-c3, a RNA aptamer targeted against the HPV-16 L1 protein. Using differential pulse voltammetry (DPV) and an optimized sensor interface, a linear relationship between the peak current density of a redox couple such as [Fe(CN)6]4- and the concentration of HPV-16 L1 proteins in the range of 0.2-2 ng mL(-1) (3.5 pM-35.3 pM) could be reached with a detection limit of 0.1 ng mL(-1) (1.75 pM). Cross-reactivity studies demonstrated high selectivity over potential interfering species such as HPV-16 E6, opening new opportunities of the developed concept for the development of point of care devices. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.snb.2018.02.065}, author = {Chekin, Fereshteh and Bagga, Komal and Subramanian, Palaniappan and Jijie, Roxana and Singh, Santosh K. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {44649, title = {Nutritional quality and antioxidant activity of wheatgrass (Triticum aestivum) unwrap by proteome profiling and DPPH and FRAP assays}, journal = {Journal of Food Science}, volume = {83}, year = {2018}, month = {AUG}, pages = {2127-2139}, abstract = {
Precious contribution of plants in the field of medicine is very well known. Wheat (Triticum aestivum) seeds and seedlings are an important source of food and feed due to the presence of various health-promoting compounds. Proteomic analysis of three seed developmental stages (0, 8, and 16 days after germination [DAG]) of wheat was carried out using liquid chromatography-mass spectrometry. A total of 297 proteins were identified and their functional annotation revealed that a majority of them were involved in preventing many diseases, oxidative stress, primary metabolism, storage, and energy related mechanisms. Particularly to mention, peroxidases, superoxide dismutases, and cytochromes are abundantly present in wheatgrass. In the ferric-reducing antioxidant power assay, antioxidant activity was increased by 1.55 times after 16 DAG as compared to 0 DAG, however it was decreased after 8 DAG. The antioxidant activity of the plant extracts by DPPH had an increasing trend after all the three time points. The percent radical scavenging activity of extract by DPPH was 15, 22, and 30 after 0, 8, and 16 DAG, respectively. Observations obtained revealed that antioxidant power of the plants is directly proportional to the age of seedlings. Data attained on wheatgrass showing that it can be a strong antioxidant agent due to its free radical scavenging activity and could be used in stress and nourishing human health. Practical ApplicationWheatgrass contains minerals, phytochemicals, active enzymes, and vitamins that can be easily absorbed. The consumption of wheatgrass juice can give better health benefits. Information about beneficial properties of wheat grass juice is clearly mentioned in this work.Proteins found in wheatgrass are known to be involved in preventing many diseases, oxidative stress, primary metabolism, storage, and energy-related mechanisms. Results of this work revealed that Triticum aestivum seedlings can act as an antioxidant agent due to their free radical scavenging activity and can be constructive to control or treat many health complications. From all these results we believed that wheatgrass can be used for the nourishment of humans.
}, keywords = {Antioxidant, LC-MSE, peroxidase, proteomics, Triticum aestivum, wheatgrass}, issn = {0022-1147}, doi = {10.1111/1750-3841.14224}, author = {Parit, Santosh B. and Dawkar, Vishal V. and Tanpure, Rahul S. and Pai, Sandeep R. and Chougale, Ashok D.} } @article {44025, title = {One pot conversion of furfural to 2-methylfuran in the presence of PtCo bimetallic catalyst}, journal = {Clean Technologies and Environmental Policy}, volume = {20}, year = {2018}, month = {MAY}, pages = {703-713}, type = {Article in Press}, abstract = {
Biomass-derived furfural (FAL) is the platform chemical for synthesis of various value-added chemicals and fuels. One of the FAL-derived chemicals, i.e., 2-methylfuran (2-MF), is the potential biofuel due to its attractive chemical and physical properties. Various methods are reported for conversion of FAL to 2-MF which are operated at high temperature and high H2 pressure. In present work, one pot catalytic method was developed in batch mode process for conversion of FAL to 2-MF. Reactions are carried out in the presence of PtCo/C bimetallic catalyst under 0.5{\textendash}1 MPa H2 pressure. Monometallic and bimetallic catalysts with different Pt and Co loading were prepared by wet impregnation method, and catalysts were characterized by transmission electron microscopy, BET surface area, X-ray photoelectron spectroscopy, X-ray diffraction and inductive coupled plasma atomic emission spectroscopy techniques. 59\% 2-MF yield was achieved at 180 {\textdegree}C and lower (0.5 MPa) H2 pressure.
}, keywords = {2-Methylfuran, Bimetallic catalyst, Co-impregnation, furfural, Hydrodeoxygenation, Hydrogenation}, doi = {10.1007/s10098-017-1408-z}, author = {Dohade, M.G. and Dhepe, P. L.} } @article {45361, title = { One pot ligand exchange method for a highly stable Au-SBA-15 catalyst and its room temperature CO oxidation}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {NOV}, pages = {12412-12415}, type = {Article}, abstract = {A modified deposition precipitation (DP) method has been developed to address a fundamental issue of supporting well dispersed Au nanoparticles on silica. Ammonium chloride (NH4Cl) plays an important role in in situ modifying the gold precursor (HAuCl(4)3H(2)O) solution allowing facile deposition of gold NPs in the channels of SBA-15. The Au-SBA-15 catalyst (2.8 wt\%) synthesized by this procedure showed 100\% conversion for CO oxidation at room temperature with excellent stability at room temperature and high temperature.}, issn = {1359-7345}, doi = {10.1039/c8cc06887a}, author = {Soni, Yogita and Kavya, I. and Ajithkumar, T. G. and Vinod, C. P.} } @article {44539, title = {One pot synthesis and biological evaluation of some new pyridine-3,5-dicarbonitrile derivatives}, journal = {ChemistrySelect }, volume = {3}, year = {2018}, month = {MAR}, pages = {3374-3378}, abstract = {
We have developed eco-friendly route for the synthesis of title compounds by using simple compounds like aromatic aldehydes, malononitrile, 4-bromothiophenol and NaHCO3. In continuation to this, a series of pyridine-3,5-dicarbonitriles were synthesized with excellent yields and assessed for their invitro antitubercular and antimicrobial activity. The results of the antimicrobial study showed potent antimicrobial activity as compared to the standard drugs (Chloramphenicol and Griseofulvin). It was noticed that the presence of electron donating groups significantly increases the antibacterial activity of the newly synthesized compounds. The title compounds further evaluated for antitubercular activity and from the promising results, they were found to possess significant biological activity against M. tuberculosis.
}, keywords = {3, 4-Arylpyridine, 5-dicarbonitriles, Antimicrobial, Antitubercular, Catalyst}, issn = {2365-6549}, doi = {10.1002/slct.201702116}, author = {Joshi, Hitendra and Shah, Nirav and Sakar, Dhiman and Desai, N. C. and Jadeja, Krunalsinh A.} } @article {44541, title = {One-pot cascade synthesis of 2-cyanoacrylamides via Sn-catalyzed acetic acid free selective monohydration of dinitrile}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAR}, pages = {3534-3538}, abstract = {
The simple, mild, novel and an efficient new protocol has been developed for the straightforward synthesis of 2-cyanoacrylamides. This is the first report in which Sn-catalyzed acetic acid free selective monohydration of dinitrile was achieved for a one pot cascade synthesis of 2-cyanoacrylamides in good to excellent yield via condensation of various aldehydes, heterocyclic aldehydes with malononitrile.
}, keywords = {2-cyanoacrylamides, Aldehyde, one pot, SnCl2 center dot 2H(2)O}, issn = {2365-6549}, doi = {10.1002/slct.201703171}, author = {Shaikh, Taufeekaslam M. Y. and Mulla, Shafeek A. R.} } @article {45531, title = {One-pot sequential bromination and fluorination to access 3-fluoroimidazo[1,2-a]pyridines from arylketones}, journal = {European Journal Of Organic Chemistry}, volume = {2018}, year = {2018}, month = {JUL}, pages = {3432-3436}, type = {Article}, abstract = {3-Fluoro-2-arylimidazo[1,2-a]pyridines were selectively synthesised in one-pot from acetophenones and 2-aminopyridines under mild conditions. The sequence of reactions involved bromination, condensation, and late-stage fluorination. Two halogenating reagents play key roles in the process. We found that tetrabutylammonium tribromide and SelectfluorTM gave excellent yields of the desired products in the one-pot sequential reaction. {\textcopyright} 2018 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim}, isbn = {1434193X}, doi = {10.1002/ejoc.201800578}, author = {Udavant, R. N. and Yadav, A. R. and Shinde, S. S.} } @article {44540, title = {One-dimensional porphyrin-fullerene (C60) assemblies: role of central metal ion in enhancing ambipolar mobility}, journal = {Chemistry - A European Journal }, volume = {24}, year = {2018}, month = {MAR}, abstract = {One-dimensional (1D) nanostructures of -conjugated molecules exhibiting excellent charge carrier mobilities have found much interest in organic electronic devices. Even though it is tedious to form such structures, the availability of highly delocalized electron and hole carriers in these donor (D)-acceptor (A) co-assemblies realize ambipolar charge transport. Here we report the successful demonstration of a simple solution casting method to create ambipolar donor-acceptor single crystalline assembly. 1D assemblies of 5,10,15,20-tetraphenylporphyrins (H2TPP, ZnTPP) and fullerene (C60) exhibit high ambipolar mobility in the range of 0.8-3.4 cm2/Vs for electrons and holes with high ON/OFF ratio and low threshold voltage. A direct experimental proof for the pivotal role of central Zn2+ in tetraphenyl porphyrin, which enables a strong D-A charge transfer interaction in the cocrystal and thereby induces electron (1.35 cm2/Vs), hole (3.42 cm2/Vs) mobilities, the highest reported for two component D-A assemblies using solution casting, is demonstrated.}, doi = {10.1002/chem.201800197}, author = {Goudappagouda and Gedda, Murali and Kulkarni, Giridhar U. and Sukumaran, Santhosh Babu} } @article {45559, title = {Optimization of pressure-Swing distillation by evolutionary techniques: separation of ethanol-water and acetonitrile-water mixtures}, journal = {Chemical Product and Process Modeling}, volume = {13}, year = {2018}, month = {JUN}, type = {Article}, abstract = {Complete separation can be achieved in selective homogeneous azeotropic mixtures by exploiting the pressure sensitive nature of the system. In the present work the optimal number of trays, feed location and reflux ratio for sequential column systems encountered in continuous pressure swing distillation (PSD) have been determined by use of two evolutionary techniques. Two industrially relevant systems: ethanol-water and acetonitrile-water have been considered. The Napthali-Sandholm model is solved to obtain the concentration and temperature profiles. The objective is to minimize the total cost using Genetic Algorithm (GA) and Differential Evolution (DE) for the two azeotropic systems. The techniques offer attractive features like applicability to discontinuous and non-differentiable search spaces.}, issn = {21946159}, doi = {10.1515/cppm-2017-0007}, author = {Adjay Sagar, A. and Rahman, I.} } @article {44228, title = {Optimization of the in situ transesterification step for biodiesel production using biomass of Yarrowia lipolytica NCIM 3589 grown on waste cooking oil}, journal = {Energy}, volume = {142}, year = {2018}, month = {JAN }, pages = {944-952}, type = {Article}, abstract = {
The in situ (one-step) acid-catalyzed transesterification step for conversion to biodiesel of biomass from oleaginous yeast Yarrowia lipolytica grown on waste cooking oil (WCO) is studied. The process yield of biodiesel was optimized by investigating effects of various parameters, namely, biomass, methanol, chloroform, catalyst, temperature, time and sonication. A Plackett-Burman statistical design of experiments revealed that biomass is the most significant factor influencing biodiesel (FAME, fatty acid methyl ester) production. Subsequently, a one variable design (OVD) of experiments for increased biomass loadings showed higher yields of FAME with no additional requirement of reactants, solvents or special equipment. The biomass grown on WCO had a lipid productivity of 0.042 g L-1 h(-1) and 4 g of this loading gave a high FAME yield of 0.88 gin 8 hat 50 degrees C with methanol: chloroform (10:1) and acid catalyst (0.2 M H2SO4,1.0 ml g(-1)). The FAME profile had desirable amounts of saturated (32.81\%), monounsaturated (36.41\%), polyunsaturated (30.59\%) methyl esters. The predicted and experimentally determined physico-chemical properties of FAME were found in accordance with specified international standards. Thus, the direct one-pot in situ transesterification reaction using Y. lipolytica biomass grown on WCO provides a high yield of biodiesel with potential applicability while simultaneously addressing the management of this pollutant. (C) 2017 Elsevier Ltd. All rights reserved.
}, keywords = {Biodiesel, FAME, In situ transesterification, One -step, Waste cooking oil, Yarrowia lipolytica}, issn = {0360-5442}, doi = {10.1016/j.energy.2017.10.082}, author = {Katre, Gouri and Raskar, Shubham and Zinjarde, Smita and Kumar, V. Ravi and Kulkarni, B. D. and RaviKumar, Ameeta} } @conference {47492, title = {Opto-electronic analysis of Cs2PdCl2Br4 Perovskites compounds for photovoltaic applications}, booktitle = {2018 International Conference and Utility Exhibition on Green Energy for Sustainable Development (ICUE)}, year = {2018}, month = {OCT}, publisher = {IEEE}, organization = {IEEE}, address = {Phuket, Thailand}, abstract = {In this paper, electronic and optical properties of Cs2PdCl2Br4 perovskite compound are presented using full potential linearized augmented plane wave (FP-LAPW) method. All computations are performed using most accurate modified Becke Johnson (mBJ) potential within density functional theory. Energy band computations are performed over here to elaborate relationship between energy and wave vector (k). Pattern of occurrence observed for energy bands are analyzed in terms of plotted total and partial density of states. For investigating optical behavior of Cs2PdCl2Br4, we have computed dielectric tensor, absorption spectra, reflectivity and refraction spectra using mBJ potential. Different peaks recorded in the imaginary components of dielectric tensor are interpreted in terms of interband transitions for better understanding. Significant absorption intensity available in desired energy range and suitable band gap indicates effective utilization of this compound in photovoltaic applications.}, doi = {10.23919/ICUE-GESD.2018.8635653}, author = {Soni, Amit and Sahariya, Jagrati and Bhamu, K. C. and Ahuja, Ushma} } @conference {45506, title = {Opto-electronic analysis of promising photovoltaic Cs2PdCl4Br2: An upcoming perovskite material}, booktitle = {WIECON-ECE 2017 - IEEE International WIE Conference on Electrical and Computer Engineering 2017}, year = {2018}, month = {SEP}, abstract = {
he metal halide perovskites are attracting much attention due to their potential applications in optoelectronic devices. Herein, we review and calculate a new avenue for Cs 2 PdCl 4 Br 2 perovskites by computing its electronic and optical properties to show its candidature in optoelectronics. For the computation of electronic and optical properties, we have used modified Becke Johnson approximation available in Wien2k code, based on full potential linearised augmented plane wave method. Investigated electronic and optical properties show that Cs 2 PdCl 4 Br 2 has the indirect band gap of 1.70 eV. The significant intense peaks in absorption spectra between energy range 2-3 eV reveals the utility of this compound in solar cells and other optoelectronic devices.
}, doi = { 10.1109/WIECON-ECE.2017.8468904}, author = {Sahariya, J. and Soni, A. and Bhamu, K. C.} } @article {45353, title = { Organic phase transmetallation approach for synthesis of hollow Ni-Au nanocomposites with tunable cavity size}, journal = {New Journal Of Chemistry}, volume = {42}, year = {2018}, month = {DEC}, pages = { 19615-19624}, type = {Article }, abstract = {
Ni-Au nanocomposites in the form of hollow spheres with controlled cavity size have been successfully synthesized by the transmetallation reaction between hydrophobized Ni nanoparticles and hydrophobized Au precursors. This can be considered as a fairly unique synthesis strategy that does not require any additional external reductants. The synthesis is carried out in a nonpolar solvent and precise tuning of the cavity size has been achieved only by varying the ratio of the two reacting components. A detailed characterization has been performed via UV-vis spectroscopy, XPS, TEM, EDAX, and SEM. The mechanistic aspect is established from FTIR. SQUID-VSM confirmed the magnificent superparamagnetism of the nanocomposites.
}, issn = {1144-0546}, doi = {10.1039/c8nj03668c}, author = {Sardar, Debasmita and Ahmed, Md Azaharuddin and Bandyopadhyay, Sudipta and Ghosalya, Manoj Kumar and Bala, Tanushree} } @article {44612, title = {Organocatalyst bound -aminoalkyl radical intermediate for controlled aerobic oxidation of iminium ions}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {JUL}, pages = {5081-5085}, abstract = {
A catalyst bound -aminoalkyl radical intermediate from iminium is developed to control its formation and reactivity with aerobic oxygen. The influence of the catalyst was demonstrated via the ease of radical intermediate formation and its subsequent reactivity, including the first catalyst-controlled enantioselective aerobic oxidation with a chiral phosphite catalyst.
}, issn = {1477-0520}, doi = {10.1039/c8ob01032c}, author = {Motaleb, Abdul and Bera, Asish and Maity, Pradip} } @article {45473, title = {Organocatalytic asymmetric cascade reaction of gamma-substituted deconjugated butenolides with o-formyl-beta-nitrostyrene}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUL}, pages = {8189-8192}, type = {Article}, abstract = {
An efficient chemo-, diastereo- and enantio-selective cascade synthesis of functionalized indanols bearing four contiguous stereogenic centres has been developed via the reaction of beta,gamma-butenolides with o-formyl-beta-nitrostyrenes in the presence of bi-functional hydrogen-bonding catalyst. Indanol derivatives containing gamma,gamma-disubstituted butenolides were obtained in good yields and with moderate to high enantioselectivities/diastereoselectivities.
}, keywords = {butenolides, Cascade reaction, Enantioselectivity, Indanol, organocatalysis}, issn = {2365-6549}, doi = {10.1002/slct.201801467}, author = {Deepake, Siddharth K. and Lanjewar, Atul B. and Thatikonda, Thanusha and Gonnade, Rajesh G. and Das, Utpal} } @article {44543, title = {Overexpression of mango alcohol dehydrogenase (MiADH1) mimics hypoxia in transgenic tomato and alters fruit flavor components}, journal = {Agri Gene}, volume = {7}, year = {2018}, month = {MAR}, pages = {23-33}, abstract = {Plant alcohols and aldehydes are produced by the action of alcohol dehydrogenases (ADH) and play an important role during fruit ripening and aroma production. Alcohols are not only produced in different tissues at different stages of plant development but are also products of the fermentative pathway which gets activated by different stresses, including hypoxia. The ADH gene is a well-established marker for hypoxic response as well as plant aroma. In a previous report we have identified and characterized three ADHs (MiADH1, 2, 3) from Dashehari mango. MiADH1 was found to be fruit specific and was upregulated by ethylene and ABA, suggesting a role in fruit aroma volatile production. In order to functionally characterize MiADH1, transgenic tomato plants were developed under the control of the constitutive (CaMV35S) promoter. Transgenic tomato fruit expressing MiADH1 gene showed a change in the levels of several alcohols and aldehydes related to flavor in comparison to the control. The change in aroma and volatiles compounds was more prominent during the ripe stage as compared to unripe and mid-ripe stages of tomato fruit. The transgenic tomato plants also produced adventitious roots. Our results suggest that the overexpression of MiADH1 in tomato plants induced the fermentative pathway in roots, and mimicked hypoxic response by development of adventitious roots from the stem as an adaptive mechanism.}, doi = {10.1016/j.aggene.2017.10.003}, author = {Singh, Rajesh Kumar and Srivastava, Smriti and Chidley, Hemangi and Nath, Pravendra and Sane, Vidhu A.} } @article {44544, title = {Overexpression of tryptophan decarboxylase and strictosidine synthase enhanced terpenoid indole alkaloid pathway activity and antineoplastic vinblastine biosynthesis in Catharanthus roseus}, journal = {Protoplasma}, volume = {255}, year = {2018}, month = {SEP}, pages = {1281-1294}, type = {Article}, abstract = {
Terpenoid indole alkaloid (TIA) biosynthetic pathway of Catharanthus roseus possesses the major attention in current metabolic engineering efforts being the sole source of highly expensive antineoplastic molecules vinblastine and vincristine. The entire TIA pathway is fairly known at biochemical and genetic levels except the pathway steps leading to biosynthesis of catharanthine and tabersonine. To increase the in-planta yield of these antineoplastic metabolites for the pharmaceutical and drug industry, extensive plant tissue culture-based studies were performed to provide alternative production systems. However, the strict spatiotemporal developmental regulation of TIA biosynthesis has restricted the utility of these cultures for large-scale production. Therefore, the present study was performed to enhance the metabolic flux of TIA pathway towards the biosynthesis of vinblastine by overexpressing two upstream TIA pathway genes, tryptophan decarboxylase (CrTDC) and strictosidine synthase (CrSTR), at whole plant levels in C. roseus. Whole plant transgenic of C. roseus was developed using Agrobacterium tumefaciens LBA1119 strain having CrTDC and CrSTR gene cassette. Developed transgenic lines demonstrated up to twofold enhanced total alkaloid production with maximum ninefold increase in vindoline and catharanthine, and fivefold increased vinblastine production. These lines recorded a maximum of 38-fold and 65-fold enhanced transcript levels of CrTDC and CrSTR genes, respectively.
}, doi = {10.1007/s00709-018-1233-1}, author = {Sharma, Abhishek and Verma, Priyanka and Mathur, Archana and Mathur, Ajay} } @article {45424, title = { Oxidant-free oxidative gold catalysis: the new paradigm in cross-coupling reactions}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {OCT}, pages = {11069-11083}, type = {Article}, abstract = {
The construction of C-C and C-X (X = hetero atom) bonds is the core aspect for the assembly of molecules. In this regard, late transition-metal-catalyzed cross-coupling reactions have retained their dominance for decades. Lately, gold catalysts have been emerging as a reliable contender for such transformations owing to the recent findings that reveal gold{\textquoteright}s potential beyond carbophilic -Lewis acid. The newfound ability of gold to undergo redox transformations under certain circumstances has allowed us to explore gold catalysts as a viable alternative to other late transition-metals for efficient construction of cross-coupled products. This feature article critically presents an overview of all the redox neutral cross-coupling reactions enabled by gold catalysis, which we believe would stimulate further research activities in this promising area.
}, isbn = {1359-7345}, doi = {10.1039/c8cc05601c}, author = {Akram, Manjur O. and Banerjee, Somsuvra and Saswade, Sagar S. and Bedi, Vaibhav and Patil, Nitin T.} } @article {45384, title = { Oxidative NHC catalysis for the generation of imidoyl azoliums: synthesis of benzoxazoles }, journal = {Journal of Organic Chemistry }, volume = {83}, year = {2018}, month = { DEC}, pages = {14820-14826}, type = {Article}, abstract = {
N-Fleterocyclic carbene (NHC)-catalyzed intramolecular cyclization of aldimines generated from 2-amino phenols and aromatic aldehydes leading to the synthesis of 2-arylbenzoxazoles under mild conditions is presented. The reaction proceeds via the generation of the aza-Breslow intermediates from imines and NHC, which under oxidative conditions form the key imidoyl azoliums and a subsequent intramolecular cyclization furnishes the product. The reaction tolerates a broad range of functional groups, and the products are formed in generally good yields.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02598}, author = {Patra, Atanu and James, Anjima and Das, Tamal Kanti and Biju, Akkattu T.} } @article {44546, title = {Patho-physiological evaluation of Duranta erecta for the treatment of urolithiasis}, journal = {Journal of Ayurveda and integrative medicine}, year = {2018}, month = {MAY}, abstract = {
Background: Urolithiasis is the third common disorder of the urinary system affecting 10-15\% of the general population. In recent years, search for new antilithiatic drugs from natural sources has assumed greater importance. Objectives: This study was performed to investigate the anti-urolithiatic activity of methanolic extract of Duranta erecta leaves by in vitro and in vivo analysis. Materials and methods: The study was designed to determine presence of phytochemicals in D. erecta, its yield in percentage, antioxidant activity against 2, 2-diphenyl-1-picrylhydrazyl (DPPH) and anti-microbial property against few bacteria. In vitro analysis was carried out study anti-urolithiatic property of D. erecta by nucleation assay and synthetic urine assay for inhibition of calcium oxalate and calcium oxalate monohydrate crystals formation. An in vivo experiment was performed on Wistar rats for confirmation of anti-urolithiatic property of D. erecta in animal model. Results: D. erecta has the presence of primary and secondary metabolites like glycoside, saponins, sterols, flavonoids, phenols, tannins, alkaloids, carbohydrates and proteins. Methanolic extract of D. erecta gave a very good yield (60\%). D. erecta proved its antioxidant potential by 93.51\% inhibition of DPPH radical at a concentration of 1000 μg/mL where ascorbic showed 94.71\% of DPPH radical at the same concentration. In vitro tests like nucleation assay and synthetic urine assay showed that D. erecta inhibits formation of calcium oxalate and calcium oxalate monohydrate crystals. It also showed the anti-microbial property by formation of zone of inhibition against few bacteria. An in vivo experiment on Wistar rat animal model confirmed the anti-urolithiatic property of D. erecta L. leaves extract. Conclusions: Based on the results, we reported that D. erecta may treat calcium oxalate crystal deposition in the kidney by preventing hyperoxaluria-induced peroxidative damage to the renal tubular membrane surface (lipid peroxidation). It has anti-microbial potential so it may also inhibit the secondary bacterial infection in kidney. Based on the data, it can be concluded that this herb can be used as a potential anti-urolithiasis agent for kidney stone removal.
}, doi = { 10.1016/j.jaim.2017.08.001}, author = {Agawane, S. B. and Gupta, V. S. and Kulkarni, Mahesh J. and Bhattacharya, A. K. and Koratkar, Santosh and Rao, Vankudoth Koteswara} } @article {44603, title = {Pd(II)-Catalyzed gamma-C(sp(3))-H alkynylation of amides: selective functionalization of R chains of amides (RC)-C-1(O)NHR}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JUL}, pages = {7483-7486}, abstract = {
The gamma C(sp(3))-H bond alkynylation of R chains of amides (RC)-C-1(O)NHR, a fundamental class of synthetic substrates, has not been accomplished to date. Here, the first example of palladium(ii)-catalyzed alkynylation of an unactivated gamma C(sp(3))-H bond of alkyl amides (cyclic, linear, and amino acids) is reported. The kinetic experiment shows that the rate of the reaction depends on the coupling partners and the amides. Late-stage diversification of alkynylated amides was developed by utilizing amine and alkyne functionalities.
}, issn = {1359-7345}, doi = {10.1039/c8cc03445a}, author = {Landge, Vinod G. and Parveen, Ayisha and Nandakumar, Avanashiappan and Balaraman, Ekambaram} } @article {45425, title = {Perspectives on leishmania species and stage-specific adaptive mechanisms}, journal = {Trends In Parasitology}, volume = {34}, year = {2018}, month = {DEC}, pages = {10.1016/j.pt.2018.09.004}, type = {Article}, abstract = {The hurdles in drug and vaccine development pipelines for leishmaniasis, a complex, multifaceted disease, are largely due to the digenetic lifecycle, differential clinical manifestations of the parasite, and the incomplete understanding of its adaptations within its hosts. Here, we discuss the distinct computational and experimental techniques employed to identify the species and stage-specific adaptive mechanisms at different levels of biological organization, the progress made so far, and limitations in comprehending leishmaniasis as a systems biology disease. Based on the available perspectives, we also provide suggestions and requirements to tackle the growing challenges for bridging the genotype with the phenotype. A systems perspective can be instrumental in understanding the complexities of the disease and can provide insights for targeted control.}, issn = { 1471-4922 }, doi = {10.1016/j.pt.2018.09.004}, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article {44187, title = {pH- and time-resolved in situ SAXS study of self-assembled twisted ribbons formed by elaidic acid sophorolipids}, journal = {Langmuir}, volume = {34}, year = {2018}, month = {FEB }, pages = {2121-2131}, type = {Article}, abstract = {
Conditions that favor the helical structure formation in structurally similar sophorolipids (SLs), that is, elaidic acid SLs (having a trans double bond between the C9 and C10 positions of the alkyl chain) and stearic acid SLs (no double bond), are presented here. The helical self-assembled structures formed by elaidic acid SLs were independent of pH and also were mediated by a micellar intermediate. On the other hand, the stearic acid SLs formed helical structures under low pH condition only. Astonishingly, the formation routes were found to be different, albeit the molecular geometry of both SLs is similar. Even if a conclusive mechanistic understanding must await further work, our studies strongly point out that the noncovalent weak interactions in elaidic acid SLs are able to overcome the electrostatic repulsions of the sophorolipid carboxylate groups at basic pH and facilitating the formation of helical structures. On the other hand, the hydrophobic interactions in stearic acid SLs endow the helical structures with extra stability, making them less vulnerable to dissolution upon heating.
}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.7b03164}, author = {Dhasaiyan, Prabhu and Prevost, Sylvain and Baccile, Niki and Prasad, Bhagavatula L. V.} } @article {44242, title = {pH dependent sophorolipid assemblies and their influence on gelation of silk fibroin protein}, journal = {Materials Chemistry and Physics}, volume = {203}, year = {2018}, month = {JAN }, pages = {9-16}, type = {Article}, abstract = {
Sophorolipid (SL), a bio-derived surfactant is an excellent gelling agent for natural fibrous protein, silk fibroin (SF) leading to potential biomedical applications. Interaction of SF with SL has been shown to accelerate the formation of hydrogel with the rate being dependent on the form of SL used. Here, we examine the effect of pH on SL-SF interaction and gel formation by employing rheology, fluorescence spectroscopy, SANS and NMR. The results indicate that the size of SL assemblies decrease as pH increases from acidic to alkaline and significantly impacts the association of SL and SF. The association of SF and SL is mainly via hydrophobic interactions, with the SL molecules forming bead like structures along the SF chain. The increased charge on the acidic form of SL at higher pH results in greater repulsion between acidic SL molecules, which are bound to the hydrophobic sites of SF, leading to rapid chain unfolding and subsequent gelation. (C) 2017 Elsevier B.V. All rights reserved.
}, keywords = {Assemblies, Nuclear magnetic resonance spectroscopy, pH, Silk fibroin, Small angle neutron scattering, Sophorolipid}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2017.09.045}, author = {Dubey, Parul and Kumar, Sugam and Ravindranathan, Sapna and Vasudevan, Sahana and Aswal, Vinod K. and Rajamohanan, Pattuparambil R. and Nisal, Anuya and Prabhune, Asmita} } @article {45375, title = { Pharmaceutical standardization and physicochemical characterization of traditional ayurvedic marine drug: incinerated conch shell (shankha bhasma)}, journal = {Marine Drugs}, volume = {16}, year = {2018}, month = {NOV}, type = {Article}, abstract = {Natural resources such as plants, animals and minerals have always been used by mankind to develop drugs and marine world is no exception. Marine by-products like conches, pearls, mother of pearl shells, corals and so forth have been used by traditional Ayurvedic practitioners for centuries. The unique methods of these preparations are scientifically designed to eliminate unwanted impurities and convert them into bioavailable form. In this study, Conch (Xanchus pyrum) was used as a marine resource of calcium carbonate and was converted pharmaceutically from its aragonite form to calcite. All the steps of preparations and changes in the properties therein were documented and validated. Further, traditional as well as modern analytical tools were used to study its physical and chemical characters to develop a monograph. The physical characterization included particle size, X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Thermogravimetric Analysis (TGA) and Fourier Transform Infra-red (FTIR). Metal composition and heavy metal limits were determined using Inductively Coupled Plasma Optical Emission Spectrometry (ICPOES). This study revealed the rearrangement of aragonite crystals into calcite form by grinding, trituration with aloe vera juice and incineration under controlled conditions. Moreover, the finished product was found to be devoid of organic matrix that is nacre. This study creates a foundation for the development of a master formula for commonly used Shankha Bhasma in Ayurvedic medicines.}, issn = { 1660-3397}, doi = { 10.3390/md16110450}, author = {Chavan, Sandeep and Tayade, Sonali and Gupta, Vidya and Deshmukh, Vineeta and Sardeshmukh, Sadanand} } @article {44547, title = {Phase diagram of self-assembled sophorolipid morphologies from mesoscale simulations}, journal = {Journal of Molecular Liquids}, volume = {254}, year = {2018}, month = {MAR }, pages = {198-207}, abstract = {
We have constructed a phase diagram from the self-assembled morphologies of linolenic acid sophorolipid in water by performing mesoscale simulations in different concentrations. The dependence of morphologies and its properties of the self-assembled structure as a function of the concentration of bolaamphiphile in water are investigated. Two hydrophilic head groups and one hydrophobic tail group of bolaamphiphile have been mapped to beads for mesoscale simulation. The interaction parameters between different beads are calculated using Flory-Huggins solution theory. Flory-Huggins x-parameters have been calculated from atomistic simulation and experimental data of pure components constituting linolenic acid sophorolipid. We have obtained different self-assembled morphologies depending upon the concentrations of sophorolipid in water. We have explored the arrangements of hydrophobic and hydrophilic groups of the sophorolipid chains in the different morphologies. The sophorolipid chains found to be present in different structural arrangements. The residence time and flip frequency of these lipids in different orientations have been calculated and discussed in this work. (C) 2018 Elsevier B.V. All rights reserved.
}, keywords = {Bolaamphiphile, Flip frequency, Mesoscale simulation, Orientation of chains, Self-assembly}, issn = {0167-7322}, doi = {10.1016/j.molliq.2018.01.092}, author = {Sarkar, Sujit and Chakraborty, Souvik and Roy, Sudip} } @article {44361, title = {pH-dependent speciation and hydrogen (H-2) control U(VI) respiration by Desulfovibrio vulgaris}, journal = {Biotechnology and Bioengineering}, volume = {115}, year = {2018}, month = {JUN}, pages = {1465-1474}, type = {Article}, abstract = {In situ bioreduction of soluble hexavalent uranium U(VI) to insoluble U(IV) (as UO2) has been proposed as a means of preventing U migration in the groundwater. This work focuses on the bioreduction of U(VI) and precipitation of U(IV). It uses anaerobic batch reactors with Desulfovibrio vulgaris, a well-known sulfate, iron, and U(VI) reducer, growing on lactate as the electron donor, in the absence of sulfate, and with a 30-mM bicarbonate buffering. In the absence of sulfate, D. vulgaris reduced >90\% of the total soluble U(VI) (1mM) to form U(IV) solids that were characterized by X-ray diffraction and confirmed to be nano-crystalline uraninite with crystallite size 2.8 +/- 0.2nm. pH values between 6 and 10 had minimal impact on bacterial growth and end-product distribution, supporting that the mono-nuclear, and poly-nuclear forms of U(VI) were equally bioavailable as electron acceptors. Electron balances support that H-2 transiently accumulated, but was ultimately oxidized via U(VI) respiration. Thus, D. vulgaris utilized H-2 as the electron carrier to drive respiration of U(VI). Rapid lactate utilization and biomass growth occurred only when U(VI) respiration began to draw down the sink of H-2 and relieve thermodynamic inhibition of fermentation.}, doi = {10.1002/bit.26579}, author = {Kushwaha, Shilpi and Marcus, Andrew K. and Rittmann, Bruce E.} } @article {44548, title = {Phenazine-containing poly(phenylenevinylene): a new polymer with impressive field emission properties}, journal = {Journal of Polymer Research}, volume = {25}, year = {2018}, month = {FEB}, pages = {Article Number: 61}, abstract = {
Phenazine-containing poly(phenylenevinylene) (P(PHN-PV)) was synthesized using Wittig-Horner polycondensation of the appropriately designed monomers viz. 5,10-dioctyl-5,10-dihydrophenazine-2,7-dicarbaldehyde and tetraethyl ((2,5-bis((2-ethylhexyl) oxy)-1,4 phenylene) bis(methylene)) bis(phosphonate). The design embraces the specific motivation of incorporating the nitrogen-containing heterocycle viz. .phenazine in poly(phenylenevinylene) backbone. P(PHN-PV) exhibited reversible redox properties. In the field emission measurements performed on the film of P(F{\textquoteright}HN-PV), the turn-on field was observed to be 1.93 V/mu m for the current density of 10 mu A/cm(2). The maximum current density of similar to 4.87 mA/cm(2) was achieved at the applied field of 3.84 V/mu m. The emission current showed impressive stability for 6 h at a constant current of 1 mu A (current density of about 20 mu A/cm(2)). These results emphasize the role of phenazine heterocycle with lone pair of electrons on nitrogen in lowering the oxidation onset and in turn reduction of the turn-on voltage.
}, keywords = {field emission, Phenazine, Poly(phenylenevinylene)}, issn = {1022-9760}, doi = {10.1007/s10965-017-1428-8}, author = {Chhatre, Shraddha and Ichake, Amol and Harpale, Kashmira and Patil, Sumati and Deshpande, Aparna and More, Mahendra and Wadgaonkar, Prakash P.} } @article {44205, title = {Phosphine-free cobalt pincer complex catalyzed Z-selective semi-hydrogenation of unbiased alkynes}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {JAN}, pages = {428-433}, type = {Article}, abstract = {
Herein, we report a novel, molecularly defined NNN-type cobalt pincer complex catalyzed transfer semi-hydrogenation of unbiased alkynes to Z-selective alkenes. This unified process is highly stereo-and chemo-selective and exhibits a broad scope as well as wide functional group tolerance. Ammonia-borane (AB), a bench-stable substrate with high gravimetric hydrogen capacity, was used as a safe and practical transfer hydrogenating source.
}, issn = {2044-4753}, doi = {10.1039/c7cy01994g}, author = {Landge, Vinod G. and Pitchaimani, Jayaraman and Midya, Siba P. and Subaramanian, Murugan and Madhu, Vedichi and Balaraman, Ekambaram} } @article {45459, title = {Photocatalysis enabling acceptorless dehydrogenation of diaryl hydrazines at room temperature}, journal = {ACS Catalysis}, volume = {8}, year = {2018}, month = {AUG}, pages = {7727-7733}, type = {Article}, abstract = {
Aromatic azo compounds are privileged structural motifs, and they exhibit a myriad of pharmaceutical as well as industrial applications. Here, we report a catalytic acceptorless dehydrogenation of diarylhydrazine derivatives to access a wide variety of aryl-azo compounds with the removal of molecular hydrogen as the sole byproduct. This distinctive reactivity has been achieved under dual catalytic conditions by merging the visible-light active [Ru(bpy)(3)](2+) as the photoredox catalyst and Co(dmgH)(2)(py)Cl as the proton-reduction catalyst. The reaction proceeds smoothly under very mild and benign conditions and operates at ambient temperature. This dual catalytic approach is highly compatible with many different functional groups and has a broad substrate scope. We have also demonstrated the reversible hydrogen storage and release phenomenon on hydrazobenzene/azobenzene couple to show the utility of these compounds as hydrogen storage materials. Further diversification of azobenzene was shown by a transition metal-catalyzed azo-group-directed ortho-C-H bond functionalization.
}, keywords = {acceptorless dehydrogenation, Azo benzene, dual catalysis, Hydrogen, photoredox catalysis}, issn = {2155-5435}, doi = {10.1021/acscatal.8b01579}, author = {Sahoo, Manoj K. and Saravanakumar, Krishnasamy and Jaiswal, Garima and Balaraman, Ekambaram} } @article {44346, title = { Photo-induced surface modification to improve the performance of lead sulfide quantum dot solar}, journal = {Journal of Colloid and Interface Science}, volume = {522}, year = {2018}, month = {JUL}, pages = {120-125}, type = {Article}, abstract = {The solution-processed quantum dot (QD) solar cell technology has seen significant advancements in recent past to emerge as a potential contender for the next generation photovoltaic technology. In the development of high performance QD solar cell, the surface ligand chemistry has played the important role in controlling the doping type and doping density of QD solids. For instance, lead sulfide (PbS) QDs which is at the forefront of QD solar cell technology, can be made n-type or p-type respectively by using iodine or thiol as the surfactant. The advancements in surface ligand chemistry enable the formation of p-n homojunction of PbS QDs layers to attain high solar cell performances. It is shown here, however, that poor Fermi level alignment of thiol passivated p-type PbS QD hole transport layer with the n-type PbS QD light absorbing layer has rendered the photovoltaic devices from realizing their full potential. Here we develop a control surface oxidation technique using facile ultraviolet ozone treatment to increase the p-doping density in a controlled fashion for the thiol passivated PbS QD layer. This subtle surface modification tunes the Fermi energy level of the hole transport layer to deeper values to facilitate the carrier extraction and voltage generation in photovoltaic devices. In photovoltaic devices, the ultraviolet ozone treatment resulted in the average gain of 18\% in the power conversion efficiency with the highest recorded efficiency of 8.98\%. (C) 2018 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.jcis.2018.03.047}, author = {Tulsani, Srikanth Reddy and Rath, Arup Kumar} } @article {44606, title = {Photophysical studies on curcumin-sophorolipid nanostructures: applications in quorum quenching and imaging}, journal = {Royal Society Open Science}, volume = {5}, year = {2018}, month = {FEB}, pages = {170865}, abstract = {
Sophorolipid biosurfactants are biodegradable, less toxic and FDA approved. The purified acidic form of sophorolipid is stimuli-responsive with self-assembling properties and used for solubilizing hydrophobic drugs. This study encapsulated curcumin (CU) with acidic sophorolipid (ASL) micelles and analysed using photophysical studies like UV-visible spectroscopy, photoluminescence (PL) spectroscopy and timecorrelated single photon counting (TCSPC). TEM images have revealed ellipsoid micelles of approximately 100nm size and were confirmed by dynamic light scattering. The bacterial fluorescence uptake studies showed the uptake of formed CUASL nanostructures into both Gram-positive and Gram-negative bacteria. They also showed quorum quenching activity against Pseudomonas aeruginosa. The results have demonstrated this system has potential theranostic applications.
}, keywords = {curcumin, photophysical, Quorum quenching, Sophorolipid}, issn = {2054-5703}, doi = {10.1098/rsos.170865}, author = {Vasudevan, Sahana and Prabhune, Asmita A.} } @article {45387, title = {Pioglitazone inhibits advanced glycation induced protein modifications and down-regulates expression of RAGE and NF-kappa B in renal cells}, journal = {International Journal of Biological Macromolecules}, volume = {119}, year = {2018}, month = {NOV}, pages = {1154-1163}, type = {Article}, abstract = {The present work aims to determine the effect of pioglitazone on in-vitro albumin glycation and AGE-RAGE induced oxidative stress and inflammation. Bovine serum albumin was glycated by methylglyoxal in absence or presence of pioglitazone. Glycation markers (fructosamine, carbonyl groups, (l-amyloid aggregation, thiol groups, bilirubin binding capacity and AOPP); protein conformational changes (native-PAGE and HPLC analysis) were determined. Cellular study was done by estimating antioxidants, ROS levels, expression profile of membrane RAGE, NF-kappa B and levels of inflammatory cytokines (IL-6, TNF-alpha) using HEK-293 cell line. We observed that levels of glycation markers were reduced at higher concentration of pioglitazone as compared to glycated albumin. Structural analysis of glycated albumin showed inhibition of protein migration and structural changes when treated with pioglitazone. Pioglitazone has potentially restored cellular antioxidants and reduced levels of IL-6 and TNF-alpha by declining expression of membrane RAGE and NF-kappa B. In conclusion, pioglitazone preferentially binds to protein and alleviates protein structural changes by maintaining its integrity. Additionally, it suppresses RAGE and NF-kappa B levels hence alleviate cellular oxidative stress and inflammation. (C) 2018 Elsevier B.V. All rights reserved.}, issn = {0141-8130}, doi = { 10.1016/j.ijbiomac.2018.08.026}, author = {Adeshara, Krishna A. and Agrawal, Sanskruthi B. and Gaikwad, Sushama M. and Tupe, Rashmi S.} } @article {44348, title = {Polycrystalline MnGe2 thin films on InAs(001) substrates}, journal = {Thin Solid Films}, volume = {657}, year = {2018}, month = {JUL}, pages = {38-41}, type = {Article}, abstract = {We report on the growth of MnGe2 thin films on InAs(001) substrates using radio frequency-magnetron cosputtering. Polycrystalline thin films were obtained at a substrate temperature of 353 K. X-ray diffractometry was used to identify the tetragonal MnGe2 phase (space group 14/mcm). Measurements of the magnetic field and temperature dependence of the magnetization revealed that the MnGe2 thin films are ferromagnetic with a magnetization of 280 kAm(-1) and a Curie temperature of 62 K. Additionally, an antiferromagnetic component is observed at low temperatures, which may arise atomic disorder at the grain boundaries between MnGe2 crystallites.}, doi = {10.1016/j.tsf.2018.05.007}, author = {Gutierrez-Naranjo, David and Holguin-Momaca, Jose T. and Solis-Canto, Oscar O. and Gupta, Preeti and Poddar, Pankaj and Espinosa Magana, Francisco and Olive-Mendez, Sion F.} } @conference {44549, title = {Polyethyleneglycol/silver functionalized Reduced graphene oxide aerogel for environmental application}, booktitle = {62nd Dae Solid State Physics Symposium}, year = {2018}, publisher = {Dept Atom Energy; Board Res Nucl Sci, Dept Atom Energy; Bhabha Atom Res Ctr}, organization = {Dept Atom Energy; Board Res Nucl Sci, Dept Atom Energy; Bhabha Atom Res Ctr}, address = {2 Huntington Quadrangle, Ste 1 No1, Melville, NY 11747-4501 USA}, abstract = {
Polyethylene glycol (PEG)/Silver (Ag) functionalized reduced graphene oxide aerogel (RGOA) was synthesized. PEG/Ag decorated reduced graphene oxide aerogel was characterized using XRD, Raman spectroscopy, Fourier transform infrared spectroscopy (FT-IR). The surface morphology of PEG/Ag/RGOA was analyzed using scanning electron microscope. The non-covalent interaction between reduced graphene oxide layers and the interaction between PEG and Ag on RGOA were studied by FT-IR spectra. It was observed that the interaction between Ag and PEG could enhance the properties of RGOA. Methyl Orange (MO) dye degradation was observed from UV-Vis Spectra. The process was studied by monitoring the simultaneous decrease in the height of UV-Vis absorption peak of dye solution. The results show that PEG/RGOA and PEG/Ag/RGOA are an efficient catalyst for dye degradation.
}, isbn = {978-0-7354-1634-5}, doi = {10.1063/1.5028718}, author = {Kumari, G. Vanitha and Asha, S. and Ananth, A. Nimrodh and Rajan, M. A. Jothi and Mathavan, T.} } @inbook {45584, title = {Polymer grafted smart mesoporous silica nanoparticles: challenges and advances in controlled drug delivery applications}, year = {2018}, pages = {29-64}, publisher = { Nova Science Publishers, Inc.}, organization = { Nova Science Publishers, Inc.}, chapter = {Polymer grafted smart mesoporous silica nanoparticles: challenges and advances in controlled drug delivery applications}, abstract = {The application of nanoparticles to intracellular drug delivery has attracted increasing attention in the last few decades. Among them, mesoporous silica nanoparticles (MSNs) have emerged as promising nanomaterials which have shown great potential towards incubation of both hydrophobic and hydrophilic drugs and their further internalization at the targeted site in physiological environment for the treatment of large number of diseases. Excellent properties of MSNs such as good stability control over morphology and tunable particle size and the pore structure gives them an edge over other organic or inorganic based nanoparticles. With these properties, there is a great scope in designing novel MSNs with functionalization at the surface as well as within the pores using biocompatible and biodegradable polymers, stimuli responsive groups, proteins etc. MSNs have shown great potential in biotechnological and biomedical applications. Efforts are also made to increase the biocompatibility and circulation time of drug loaded MSNs by coating various polymers onto the surface of MSNs. Extensive work on MSNs has been reported in the literature which is however scattered. In the present chapter, we have dealt with the advances made in MSNs as controlled and targeted drug delivery systems using either synthetic or natural polymers specifically towards cancer treatment.}, url = {https://www.scopus.com/inward/record.url?eid=2-s2.0-85058506495\&partnerID=40\&md5=a68094fd7368110b5dd0c00f212d7ab8}, author = {Badiger, M. V. and Tiwari, N.} } @article {44550, title = {Polysulfide-triggered fluorescent indicator suitable for super-resolution microscopy and application in imaging}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {APR}, pages = {3735-3738}, abstract = {
A new physiologically benign and cell membrane permeable BODIPY based molecular probe, MB-S-n, specifically senses intracellular hydrogen polysulfides (H2Sn, n \> 1) localized in the endoplasmic reticulum. This reagent is suitable for mapping the intracellular distribution of H2Sn by wide-field as well as super-resolution Structured Illumination Microscopy (SIM).
}, issn = {1359-7345}, doi = {10.1039/c8cc01332b}, author = {Hoskere, Anila A. and Sreedharan, Sreejesh and Ali, Firoj and Smythe, Carl G. and Thomas, Jim A. and Das, Amitava} } @article {45495, title = {Population genetic structure of banana corm weevil Cosmopolites sordidus (Germar) in India}, journal = {Journal of asia-pacific entomology}, volume = {21}, year = {2018}, month = {DEC}, pages = {1222-1232}, type = {Article}, abstract = {The population genetic structure of Cosmopolites sordidus (Germar), an economically important pest of bananas, was studied using the sequence data of the internal transcribed rDNA (ITS1+ITS2) and the mitochondrial {\textquoteleft}COI-tRNALeu-COII{\textquoteright} region from seventy nine individuals collected from six sampling locations in India. The ITS data revealed 70\% within population variation and non-significant genetic differentiation estimates suggesting lack of phylogeographic sub-structuring. 49\% within population variation and highly significant genetic differentiation values were obtained with the mitochondrial data. The Mantel test revealed lack of correlation between genetic and geographic distance with both the markers. Demographic expansion of the populations was confirmed by the star shaped haplotype networks, demographic tests and mismatch distribution curves using both the markers. Molecular diversity indices show a high haplotype diversity (Hd) but low nucleotide diversity (π) suggesting that the populations are closely related. Considering the low self-dispersal ability of the weevils, these results suggest that the range expansion of this banana pest in India has taken place mainly through transport of infested corms and plant material resulting in the weevils forming localised populations which are not genetically distinct from each other. The high gene diversity (Hd) has enabled the weevils to adapt to varying environmental conditions which could explain the range expansion of this pest in India. The observed discrepancy in the genetic differentiation estimates using these two markers can be attributed to the evolutionary dynamics of the nuclear and mitochondrial genomes.}, issn = {12268615}, doi = {10.1016/j.aspen.2018.08.013}, author = {Sunil Kumar, L. and Singh, J.} } @article {44399, title = {Porosity prediction through hydrogen bonding in covalent organic frameworks}, journal = {Journal of the American Chemical Society}, volume = {140}, year = {2018}, month = {APR}, pages = {5138-5145}, abstract = {Easy and bulk-scale syntheses of two-dimensional (2D) covalent organic frameworks (COFs) represent an enduring challenge in material science. Concomitantly, the most critical aspect is to precisely control the porosity and crystallinity of these robust structures. Disparate complementary approaches such as solvothermal synthesis have emerged recently and are fueled in part by the usage of different modulators and acids that have enriched the COF library. Yet, the fundamental understanding of the integral processes of 2D COF assembly, induding their growth from nucleating sites and the origin of periodicity, is an intriguing chemical question that needs to be answered. To address these cardinal questions, a green and easy-to-perform approach of COF formation has been delineated involving acid-diamine salt precursors. The role of hydrogen bonding [d(av)(N-amine-H center dot center dot center dot O-acid); d(av) signifies the average N-amine-H center dot center dot center dot O-acid distances, i.e., the average distance from the H atom of the amine to the O atom of the acid] present in the acid-diamine salts in improving the COFs{\textquoteright} crystallinity and porosity has further been decoded by thorough crystallographic analyses of the salt molecules. What is particularly noteworthy is that we have established the hydrogen-bonding distances d(av)(N-amine-H center dot center dot center dot O-acid) in the acid-diamine salts that are pivotal in maintaining the reversibility of the reaction, which mainly facilitates highly crystalline and porous COF formation. Moreover, this reactant-structure to the product-quality relationship has further been utilized for the synthesis of highly crystalline and porous COFs that are unattainable by other synthetic means.}, doi = {10.1021/jacs.7b13558}, author = {Karak, Suvendu and Kumar, Sushil and Pachfule, Pradip and Banerjee, Rahul} } @article {44552, title = {Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. Part 2: Application to the analysis of calcitonin containing pharmaceutical formulation}, journal = {Electrochimica Acta}, volume = {266}, year = {2018}, month = {MAR }, pages = {364-372}, abstract = {
In part 1 (A. Vasilescu et al., Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. Part 1: Lysozyme aggregation at pH 2 and 7.4 Electrochem. Acta, 254 (2017) 375 -383) we proposed porous reduced graphene oxide coated glassy carbon electrode (GC/prGO) in combination with differential pulse voltammetry as a new analytical tool for aggregation studies of proteins. Lysozyme was used as a model to follow its aggregation by electrochemical means at pH 2 and pH 7.4, leading to the formation of amyloid and amorphous aggregates, respectively. Part 2 of this work widens the scope of this approach by investigating a biopharmaceutical product, as the aggregation of peptide based drugs affects their therapeutic activity and can induce allergic reactions in patients. The salmon polypeptide calcitonin (sCT) was chosen as an example of a bioactive peptide with limited pharmaceutical potential due to a tendency to form cytotoxic aggregates and amyloid fibrils. For practical applications, screen printed electrodes (SPE) and flexible electrodes (FE) modified with polydiallyldimethylammonium (PDDA) and prGO by using the layer-by-layer deposition technique have been developed for the detection of sCT. The results indicate that these electrodes can differentiate between formation of amyloid aggregates of calcitonin (2 mg mL(-1)) in citrate buffer to no aggregation in acetate buffer. It was further demonstrated that these electrodes are able to analyze a pharmaceutical drug product of low potency, Miacalcic (8.3 mu g mL(-1)), where no aggregation was observed. (C) 2018 Elsevier Ltd. All rights reserved.
}, keywords = {Calcitonin, Disposable electrodes, Electrochemistry, Porous reduced graphene oxide, Protein aggregation}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.02.038}, author = {Vasilescu, Alina and Ye, Ran and Boulahneche, Samia and Lamraoui, Sabrina and Jijie, Roxana and Medjram, Mohamed Salah and Gaspar, Szilveszter and Singh, Santosh K. and Kurungot, Sreekumar and Melinte, Sorin and Boukherroub, Rabah and Szunerits, Sabine} } @article {45498, title = {Prediction of coal ash fusion temperatures using computational intelligence based models}, journal = {International Journal of Coal Science and Technology}, volume = {4}, year = {2018}, month = {DEC}, pages = {486-507}, type = {Article}, abstract = {
In the coal-based combustion and gasification processes, the mineral matter contained in the coal (predominantly oxides), is left as an incombustible residue, termed ash. Commonly, ash deposits are formed on the heat absorbing surfaces of the exposed equipment of the combustion/gasification processes. These deposits lead to the occurrence of slagging or fouling and, consequently, reduced process efficiency. The ash fusion temperatures (AFTs) signify the temperature range over which the ash deposits are formed on the heat absorbing surfaces of the process equipment. Thus, for designing and operating the coal-based processes, it is important to have mathematical models predicting accurately the four types of AFTs namely initial deformation temperature, softening temperature, hemispherical temperature, and flow temperature. Several linear/nonlinear models with varying prediction accuracies and complexities are available for the AFT prediction. Their principal drawback is their applicability to the coals originating from a limited number of geographical regions. Accordingly, this study presents computational intelligence (CI) based nonlinear models to predict the four AFTs using the oxide composition of the coal ash as the model input. The CI methods used in the modeling are genetic programming (GP), artificial neural networks, and support vector regression. The notable features of this study are that the models with a better AFT prediction and generalization performance, a wider application potential, and reduced complexity, have been developed. Among the CI-based models, GP and MLP based models have yielded overall improved performance in predicting all four AFTs.
}, issn = {20958293}, doi = {10.1007/s40789-018-0213-6}, author = {Tambe, S.S. and Naniwadekar, M. and Tiwary, S. and Mukherjee, A. and Das, T. B.} } @article {45417, title = {Preparation and investigations of ABPBI membrane for HT-PEMFC by immersion precipitation method}, journal = {Journal of Membrane Science}, volume = {564}, year = {2018}, month = {OCT}, pages = {211-217}, type = {Article}, abstract = {Poly(2,5-benzimidazole) (ABPBI) membranes were prepared by an easy and benign {\textquoteright}immersion precipitation{\textquoteright} method; alleviating drawbacks of conventional solution casting method involving evaporation of the corrosive solvent. The importance of varying inherent viscosity on the properties of resulting membranes was investigated. The porous membranes formed by immersion precipitation method were analyzed for basic properties (water flux, porosity and dimensional analysis). Since the dense structure is required for their applicability for a fuel cell, through-porosity of the formed membranes was successfully eliminated using a unique shrinkage (similar to 50\%) property of ABPBI, initially, at 60 degrees C followed by at higher temperature. The correlation of membranes annealing temperature with the mechanical properties, phosphoric acid doping and proton conductivity was established. The present membranes exhibited high doping level (5.1 mol/RU), proton conductivity (0.083 S cm(-1)) and fuel cell performance. For comparison, solution casted membranes were prepared and analyzed. The OCP (0.91 V) and max power density (766mWcm(-2)) are quite promising features of this new type of membranes.}, issn = { 0376-7388}, doi = {10.1016/j.memsci.2018.07.026}, author = {Chaudhari, Harshal D. and Illathvalappil, Rajith and Kurungot, Sreekumar and Kharul, Ulhas K.} } @article {44553, title = {Preparation of colourless phosphate glass by stabilising higher Fe[II] in microwave heating}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {APR}, pages = {6195}, abstract = {
Iron impurity in raw material remains a major challenge in producing colourless glass. In this investigation, we report microwave (MW) heating capable of altering Fe-redox ratio (Fe2+/Sigma Fe) enabling preparation of colourless phosphate glass. The effect of Sn concentration in retention of Fe[II] in glass melted in MW was compared with conventional glasses. Colourimetric study developing Fe2+-ferrozine colour complex reveals Fe-redox ratio \>= 0.49 required to obtain colourless phosphate glass. In microwave heating, addition of 1 wt.\% Sn metal powder can impart the desired effect whereas addition of 1.9 wt.\% Sn metal powder is required in conventional heating. The correlation equation of Fe-redox ratio with concentration of Sn metal is found to be different in microwave and conventional heating. Thus, exploiting this different redox changes in MW heating optical properties can be tailored. Preservation of higher Fe[II] in MW melted glass is also confirmed by XPS and TGA. P-31 MAS NMR spectra suggest that transition from cross linked ultra phosphate to linear polymer metaphosphate network in incorporation of Sn is found different in glass prepared adopting microwave irradiation. (27)A1 MAS NMR spectra suggest higher relative content of Al6+ in glass obtained from MW heating. Energy consumption analysis revels 3.4 kWh in MW heating while 14 kWh in conventional glass melting using resistance heating. Further, glass melting in MW can be completed within 2 h unlike similar to 5 h needed in conventional. MW heating plays a significant role in improving properties to make colourless phosphate glass in addition to significant energy and time saving.
}, issn = {2045-2322}, doi = {10.1038/s41598-018-24287-1}, author = {Mandal, Ashis K. and Mandal, B. and Illath, Kavya and Ajithkumar, T. G. and Halder, A. and Sinha, P. K. and Sen, Ranjan} } @article {44663, title = {Preparation of macroporous scaffolds with holes in pore walls and pressure driven flows through them}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {JAN}, pages = {24731-24739}, abstract = {
Controlling the pore architecture in macroporous scaffolds has important implications for their use as reactor packings and as catalyst supports. We report the preparation of a macroporous structure, where the pore walls are perforated by holes. These materials are prepared by modification of the ice-templating protocol developed in our group. We freeze a dispersion of colloidal silica, polymer and cross-linker in a water/acetonitrile medium and allow crosslinking to proceed in the frozen state. The presence of a small fraction of acetonitrile (varying between 1.6\% to 6.4\%) results in the formation of holes in the pore walls. Increasing the acetonitrile concentration changes the pore size distribution, and produces smaller pores on average. This also results in an increasing fraction of the wall area being covered by small pores, of the order of a few microns in size. Perforation of the walls by pores does not change the overall porosity or modulus of the scaffolds. However, the introduction of pores leads to a drastic reduction in the pressure drop required to pump liquid through the scaffolds. The observed residence time distribution (RTD) in the scaffolds is represented by two plug flow reactors (PFRs) in parallel. The RTD results indicate that increasing the hole fraction in the pore walls results in increased channelling which explains the aforementioned decreased pressure drop during pressure driven flow.
}, issn = {2046-2069}, doi = {10.1039/c8ra03867h}, author = {Chatterjee, Soumyajyoti and Potdar, Aditi and Kuhn, Simon and Kumaraswamy, Guruswamy} } @article {44225, title = {Preparation of metal oxide supported catalysts and their utilization for understanding the effect of a support on the catalytic activity}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN}, pages = {402-410}, type = {Article}, abstract = {
A convenient way of anchoring transition metal nanoparticles (palladium, platinum, rhodium and ruthenium) onto metal oxide supports (magnesium oxide and zirconium oxide) by means of a modified sol-gel technique is demonstrated. Use of toluene dispersed, ligand protected pre-synthesized nanoparticles during sol-gel synthesis delivered size-controlled, spatially distributed, well-adhered transition metal nanoparticles (MNPs) on metal oxide supports. The catalytic activities of these supported nanoparticles were tested for the p-nitro phenol reduction reaction. It was observed that the reaction kinetics were crucially dependent on the catalyst support and MNP size. The influence of the magnesium oxide and zirconium oxide supports towards the catalytic performance of the anchored transition MNPs was probed using cyclic voltammetry and the differences in the same were attributed to the support-induced modification in the electronic properties of the MNPs. Our results indicated that magnesium oxide is a better support than zirconium oxide.
}, issn = {1144-0546}, doi = {10.1039/c7nj03753h}, author = {Seth, Jhumur and Dubey, Prashant and Chaudhari, Vijay R. and Prasad, Bhagavatula L. V.} } @article {44193, title = {Pressure equalization approach for flow uniformity in microreactor with parallel channels}, journal = {Chemical Engineering Science}, volume = {176}, year = {2018}, month = {FEB}, pages = {96-106}, type = {Article}, abstract = {
Numbering-up using parallel channels helps to achieve higher processing capacity while retaining the advantages of microreactors. However it may also lead to non-uniformity in flow across all the channels. Here we report the CFD simulations and experimental observations on the extent of uniformity in the flow from an assembly of several parallel channels. In the conventional parallel channel geometry, smaller channel size (\<300 m) as well as higher fluid viscosity is seen to give better flow uniformity. Inequality in pressure distribution at the inlet of a large number of parallel channels is overcome by having two {\textquoteleft}pressure equalization slots{\textquoteright} at an equal distance from inlet and outlets that open in the respective manifolds. Having such an arrangement helped to reduce the standard deviation in the flow by almost 90\% when compared to the conventional geometry. However the modification was seen to increase the extent of back mixing to some extent. (C) 2017 Elsevier Ltd. All rights reserved.
}, keywords = {CFD, Experiments, Flow distribution, microreactor, Numbering-up, Parallel channels}, issn = {0009-2509}, doi = {10.1016/j.ces.2017.10.021}, author = {Madane, Ketan and Kulkarni, Amol A.} } @article {45466, title = {Prion-like propagation of post-translationally modified tau in alzheimer{\textquoteright}s disease: a hypothesis}, journal = {Journal of Molecular Neuroscience}, volume = {65}, year = {2018}, month = {AUG}, pages = {480-490}, type = {Review}, abstract = {
The microtubule-associated protein Tau plays a key role in the neuropathology of Alzheimer{\textquoteright}s disease by forming intracellular neurofibrillary tangles. Tau in the normal physiological condition helps stabilize microtubules and transport. Tau aggregates due to various gene mutations, intracellular insults and abnormal post-translational modifications, phosphorylation being the most important one. Other modifications which alter the function of Tau protein are glycation, nitration, acetylation, methylation, oxidation, etc. In addition to forming intracellular aggregates, Tau pathology might spread in a prion-like manner as revealed by several in vitro and in vivo studies. The possible mechanism of Tau spread can be via bulk endocytosis of misfolded Tau species. The recent studies elucidating this mechanism have mainly focussed on the aggregation and spread of repeat domain of Tau in the cell culture models. Further studies are needed to elucidate the prion-like propagation property of full-length Tau and its aggregates in a more intense manner in vitro as well as in vivo conditions. Varied post-translational modifications can have discrete effects on aggregation propensity of Tau as well as its propagation. Here, we review the prion-like properties of Tau and hypothesize the role of glycation in prion-like properties of Tau. This post-translationally modified Tau might have an enhanced propagation property due to differential properties conferred by the modifications.
}, keywords = {Alzheimer disease, Post-translational modifications of tau, Propagation of tau, Tau, Tauopathies}, issn = {0895-8696}, doi = {10.1007/s12031-018-1111-5}, author = {Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose} } @article {45409, title = { Process intensification strategies for enhanced holocellulose solubilization: Beneficiation of pineapple peel waste for cleaner butanol production}, journal = {Journal of Cleaner Production}, volume = {199}, year = {2018}, month = {OCT}, pages = {937-947}, type = {Article}, abstract = {Biorefinery sector has become a serious dispute for cleaner and sustainable development in recent years. In the present study, pretreatment of pineapple peel waste was carried out in high pressure reactor using various pretreatment-enhancers. The type and concentration effect of each enhancer on hemicellulose solubilization was systematically investigated. The binary acid (phenol + sulfuric acid) at 180 degrees C was found to be superior amongst other studied enhancers, giving 81.17\% (w/v) hemicellulose solubilization in liquid-fraction under optimized conditions. Solid residue thus obtained was subjected to enzymatic hydrolysis that resulted into 24.50\% (w/v) cellulose breakdown. Treated solid residue was further characterized by scanning electron microscopy and fourier transform infrared spectroscopy to elucidate structural changes. The pooled fractions (acid treated and enzymatically hydrolyzed) were fermented using Clostridium acetobutylicum NRRL B 527 which resulted in butanol production of 5.18 g/L with yield of 0.13 g butanol/g sugar consumed. Therefore, pretreatment of pineapple peel waste evaluated in this study can be considered as milestone in utilization of low cost feedstock, for bioenergy production. (C) 2018 Elsevier Ltd. All rights reserved.}, issn = { 0959-6526}, doi = { 10.1016/j.jclepro.2018.07.205}, author = {Khedkar, Manisha A. and Nimbalkar, Pranhita R. and Kamble, Sanjay P. and Gaikwad, Shashank G. and Chavan, Prakash V. and Bankar, Sandip B.} } @article {44554, title = {Proline-catalyzed asymmetric -amination in the synthesis of bioactive molecules}, journal = {Synlett}, volume = {29}, year = {2018}, month = {JUN}, pages = {1944-1956}, type = {Article}, abstract = {The direct -amination of carbonyl compounds using organocatalysts represents a powerful and atom-economical tool for asymmetric C-N bond formation. We describe a complete account of -functionalization of carbonyl compounds, through iterative sequential -aminoxylation/amination using electrophilic O and N sources, as well as sequential -amination/HWE reaction for enantio- and diastereoselective synthesis of both syn - and anti -1,3-aminoalcohols and 1,3-diamines. Additionally this protocol is further extended for the easy construction of alkaloids such as indolizidine, pyrrolizidine, and quinolizidine fused-ring systems just by tuning the chain length of the aldehyde used as a starting material. This methodology provides further scope to extrapolate it for a variety of naturally occurring hydroxylated monocyclic and fused bicyclic pyrrolidine and piperidine based alkaloids such as lentiginosine, epi -lentiginosine, dihydroxypyrrolizidine, (+)-deoxoprosophylline and (-)-deoxoprosopinine alkaloids. Furthermore, we have also uncovered proline-catalyzed anti -selectivity for the synthesis of 1,2-amino alcohols in -amination of aldehyde and one-pot indium-mediated Barbier type allylation of -hydrazino aldehydes to accomplish the total synthesis of clavaminols, sphinganine and spisulosine with reduced number of steps and with high overall yields. 1 Introduction 2 Application in the Total Synthesis of Alkaloids 3 Conclusion}, doi = {10.1055/s-0037-1610022}, author = {Kumar, Pradeep and Sharma, Brijesh M.} } @article {45383, title = {Proteomic study of endothelial dysfunction induced by Ages and its possible role in diabetic cardiovascular complications}, journal = {Journal of Proteomics }, volume = {187}, year = {2018}, month = {SEP}, pages = {69-79}, type = {Article}, abstract = {
Endothelial dysfunction is one of the primary steps in the development of diabetes associated cardiovascular diseases. Hyperglycemic condition in diabetes promotes accumulation of advanced glycation end products (AGEs) in the plasma, that interact with the receptor for AGEs (RAGE) present on the endothelial cells and negatively affect their function. Using Human umbilical vascular endothelial cells (HUVECs) in culture, the effect of glycated human serum albumin on global proteomic changes was studied by SWATH-MS, a label free quantitative proteomic approach. Out of the 1860 proteins identified, 161 showed higher abundance while 123 showed lesser abundance in cells treated with glycated HSA. Bioinformatic analysis revealed that the differentially regulated proteins were involved in various processes such as apoptosis, oxidative stress etc. that are associated with endothelial dysfunction. Furthermore, the iRegulon analysis and immunofuorescence studies indicated that several of the differentially regulated proteins were transcriptionally regulated by NF-kappa B, that is downstream to AGE-RAGE axis. Some of the important differentially regulated proteins include ICAM1, vWF, PAI-1 that affect important endothelial functions like cell adhesion and blood coagulation. qPCR analysis showed an increase in expression of the AGE receptor RAGE along with other genes involved in endothelial function. AGE treatment to HUVEC cells led to increased oxidative stress and apoptosis. This is the first proteomics study that provides insight into proteomic changes downstream to AGE-RAGE axis leading to endothelial dysfunction and predisposing to cardiovascular complications. Significance: Cardiovascular disease (CVD) is a major pathological outcome in diabetic patients and it is important to address ways that target its development before the onset. Elevated plasma AGEs in diabetes can affect endothelial function and can continue to show their effects even after blood glucose levels are back to normal. Since endothelial dysfunction acts as one of the initiating factors for the development of CVD, understanding how AGEs affect the endothelial cell proteome to cause dysfunction will provide insight into the mechanisms involved and aid designing new therapeutic approaches.
}, doi = {10.1016/j.jprot.2018.06.009}, author = {Banarjee, Reema and Sharma, Akshay and Bai, Shakuntala and Deshmukh, Arati and Kulkarni, Mahesh J.} } @article {44215, title = {Pt - g-C3N4 - (Au/TiO2): electronically integrated nanocomposite for solar hydrogen generation}, journal = {International Journal of Hydrogen Energy}, volume = {43}, year = {2018}, month = {JAN}, pages = {601-613}, type = {Article}, abstract = {
A potential nanocomposite photocatalyst was designed by integrating Pt nanoclusters (co catalyst and electron sink) with graphitic carbon nitride (g-C3N4 (gcn)) (charge diffusion) and 0.5 wt \% Au containing Au-TiO2 (AuT) (plasmonic on semiconductor) for solar water splitting (SWS). Variety of Pt-gcn-AuTiO2 compositions has been evaluated for SWS under one sun conditions. Complexity of the photocatalyst was increased systematically from Au-TiO2, gcn-TiO2 to Pt-gcn-Au-TiO2 to explore the influence of different combinations. Electronic integration of charge separation/diffusion component (gcn) with light absorbing sensitizer components (Au and gcn), and co-catalyst (Pt) seems to be the critical factor to improve hydrogen yield (HY) or overall efficiency. Although addition of gcn increase the HY of composites, there is no SWS activity observed on bare TiO2 or gcn. Au or Pt on gcn enhances the charge separation effectively and interface between Au and/or Pt with gcn works as the Schottky barrier. A monodispersion of Au over TiO2 and Pt nanoclusters over gcn/AuTiO2 composite lead to the maximum solar hydrogen yield (1.52 mmol/h g) with an apparent quantum yield (AQY) of 7.5\%. Photoelectron and photoluminescence spectral studies confirm the electron transfer from Au to gcn, and Au and/or gcn to titania. A thorough physico-chemical investigation of various composites underscores the electronic integration aspects of the nanocomposite towards storage of electrons in the Pt co-catalyst and hence an effective charge separation and an increase in AQY. (C) 2017 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Electronic integration, Photocatalysis, Schottky barrier, Solar hydrogen, water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2017.11.057}, author = {Devaraji, Perumal and Gopinath, Chinnakonda S.} } @article {45348, title = {Quantum dots coupled to an oriented two-dimensional crystalline matrix for solar cell application}, journal = {ACS Applied Materials \& Interfaces}, volume = {10}, year = {2018}, month = {NOV}, pages = {39074-39082}, type = {Article}, abstract = {Colloidal quantum dots (QDs) have emerged as promising materials to harness panchromatic solar light, owing to their size-tunable optoelectronic properties. Advancements in surface passivation strategy and processing technique have contributed immensely to their developments in photovoltaic applications. Recently, surface passivation using halometallate ligands was shown to form a protective shell layer, which reduced the structural and energetic disorder in the QD solid. Here, we report lead sulfide (PbS) QDs coupled to an oriented two-dimensionally (2D) confined crystalline matrix by using a halometallate ligand. The QDs undergo surface reconstruction during the ligand treatment process, which leads to change in their shape, size, and axis length. We show that the 2D matrix is a combination of two distinct crystalline layers consisting of a crystalline Pb amine complex and a 2D perovskite layer. The thickness of the matrix layer is modulated further by adjusting counter cations, which results in the enhancement in charge carrier mobility, carrier recombination lifetime, and diffusion length in the QD solid. 2D passivated QDs are implemented to fabricate photovoltaic devices with high power conversion efficiency of 9.1\%.}, doi = {10.1021/acsami.8b15469}, author = {Mandal, Debranjan and Rath, Arup K.} } @article {44376, title = {Quest for novel chemical entities through incorporation of silicon in drug scaffolds}, journal = {Journal of Medicinal Chemistry}, volume = {61}, year = {2018}, month = {MAY}, pages = {3779-3798}, abstract = {In order to optimize a lead molecule for further development, bioisosteric replacements are generally adopted as one of the strategies. Silicon appears to be the right choice as a carbon isostere because of the similarity in chemical properties. Silicon can be strategically introduced in a molecule to modulate its druglike properties, providing medicinal chemists with an unconventional strategy for replacing a carbon atom. Silicon can also be introduced to replace other heteroatoms and can act as a surrogate of functional groups such as olefin and amide as well. The present Perspective focuses on the opportunities that silicon incorporation offers in drug discovery, with an emphasis on case studies where introduction of silicon has created a benefit over its analog. We have tried to highlight all the recent developments in the field and briefly discuss the challenges associated with them.}, doi = {10.1021/acs.jmedchem.7b00718}, author = {Ramesh, Remya and Reddy, D. Srinivasa} } @article {45436, title = { Rational design of coumarin derivatives as antituberculosis agents}, journal = {Future Medicinal Chemistry}, volume = {10}, year = {2018}, month = {OCT}, pages = {2431-2444}, type = {Article}, abstract = {A series of coumarin derivatives was designed as potential antituberculosis agents. Results: The compounds were screened against active and dormant Mycobacterium tuberculosis (Mtb). Compounds 3k and 3n were found to have the most promising activity against replicating MtbH37Rv exhibiting minimum inhibitory concentration of 4.63 and 9.75 mu M respectively. The compounds were also effective against dormant MtbH37Rv exhibiting more potency than the standard drugs, isoniazid and rifampicin. The compounds were found to be non-cytotoxic against human cell lines. Conclusion: This study provides promising antituberculosis agents that are effective against replicating as well as dormant Mtb and can thus act as potential leads for further development. }, issn = {1756-8919}, doi = {10.4155/fmc-2018-0015}, author = {Mali, Hemlata M. and Sabale, Sandip S. and Degani, Mariam S. and Borkute, Rachana and Choudhari, Amit S. and Sarkar, Dhiman and Krishna, Vagolu Siva and Sriram, Dharmarajan} } @article {44373, title = {Rationally designed self-standing V2O5 electrode for high voltage non-aqueous all-solid-state symmetric (2.0 V) and asymmetric (2.8 V) supercapacitors}, journal = {Nanoscale}, volume = {10}, year = {2018}, month = {MAY}, pages = {8741-8751}, abstract = {The maximum capacitive potential window of certain pseudocapacitive materials cannot be accessed in aqueous electrolytes owing to the low dissociation potential of 1.2 V possessed by water molecules. However, the inferior pseudocapacitance exhibited by the commonly used electrode materials when integrated with non-aqueous electrolytes still remains a challenge in the development of supercapacitors (SC). Proper selection of materials for the electrode and a rational design process are indeed important to overcome these practical intricacies so that such systems can perform well with non-aqueous electrolytes. We address this challenge by fabricating a prototype all-solid-state device designed with high-capacitive V2O5 as the electrode material along with a Li-ion conducting organic electrolyte. V2O5 is synthesized on a pre-treated carbon-fibre paper by adopting an electrochemical deposition technique that effects an improved contact resistance. A judicious electrode preparation strategy makes it possible to overcome the constraints of the low ionic and electrical conductivities imposed by the electrolyte and electrode material, respectively. The device, assembled in a symmetrical fashion, achieves a high specific capacitance of 406 F g(-1) (at 1 A g(-1)). The profitable aspect of using an organic electrolyte is also demonstrated with an asymmetric configuration by using activated carbon as the positive and V2O5 as the negative electrode materials, respectively. The asymmetric device displays a wide working-voltage window of 2.8 V and delivers a high energy density of 102.68 W h kg(-1) at a power density of 1.49 kW kg(-1). Moreover, the low equivalent series resistance of 9.9 Omega and negligible charge transfer resistance are observed in the impedance spectra, which is a key factor that accounts for such an exemplary performance.}, doi = {10.1039/c8nr00805a}, author = {Ghosh, Meena and Vijayakumar, Vidyanand and Soni, Roby and Kurungot, Sreekumar} } @article {44239, title = {Reaction engineering for continuous production of silver nanoparticles}, journal = {Chemical Engineering \& Technology}, volume = {41}, year = {2018}, month = {JAN}, pages = {157-167}, type = {Article}, abstract = {
A scalable process for the production of silver nanoparticles that allows for complete conversion of the limiting reactant is analyzed in detail. The kinetics of silver nanoparticle synthesis using citrate reduction are investigated and used for development of a reaction engineering model to facilitate the reactor design. The effect of temperature, pH, concentration and mixing (axial dispersion) on the rates of nucleation and growth are analyzed quantitatively. An approach that considers reaction kinetics coupled with quality of dispersion is developed for reactor design as well as selection of reactor configurations for the synthesis of specific particle sizes. The developed approach has been applied for continuous production of 10-L suspension silver nanoparticles with very narrow particle size distribution.
}, keywords = {kinetics, particle size distribution, rate constant, Reactor design, Silver nanoparticle production}, issn = {0930-7516}, doi = {10.1002/ceat.201700035}, author = {Deshpande, Javdeep B. and Kulkarni, Amol A.} } @article {44218, title = {Realizing high capacitance and rate capability in polyaniline by enhancing the electrochemical surface area through induction of superhydrophilicity}, journal = {ACS Applied Materials \& Interfaces}, volume = {10}, year = {2018}, month = {JAN}, pages = {676-686}, type = {Article}, abstract = {
Polyaniline (PANI) as a pseudocapacitive material has very high theoretical capacitance of 2000 F g(-1). However, its practical capacitance has been limited by low electrochemical surface area (ESA) and unfavorable wettability toward aqueous electrolytes. This work deals with a strategy wherein the high ESA of PANI has been achieved by the induction of superhydrophilicity together with the alignment of PANI exclusively on the surface of carbon fibers as a thin layer to form a hybrid assembly. Superhydrophilicity is induced by electrochemical functionalization of the Toray carbon paper, which further induces superhydrophilicity to the electrodeposited PANI layer on the paper, thereby ensuring a high electrode-electrolyte interface. The Toray paper is electrochemically functionalized by the anodization method, which generates a highly active electrochemical surface as well as greater wettability (superhydrophilic) of the carbon fibers. Because of the strong interaction of anilinium chloride with the hydrophilic carbon surface, PANI is polymerized exclusively over the surface of the fibers without any appreciable aggregation or agglomeration of the polymer. The PANI-Toray paper assembly in the solid-state prototype supercapacitor can provide a high gravimetric capacitance of 1335 F g(-1) as well as a high areal capacitance of 1.3 F cm(-2) at a current density of 10 A g(-1). The device also exhibits high rate capability, delivering 1217 F g(-1) at a current density of 50 A g(-1) and a high energy density of 30 W h kg(-1) at a power density of 2 kW kg(-1).
}, keywords = {electrochemical active sulfate area, electrochemical functionalization, electropolymerization, polyaniline, supercapacitor, superhydrophilic}, issn = {1944-8244}, doi = {10.1021/acsami.7b15534}, author = {Soni, Roby and Kashyap, Varchaswal and Nagaraju, Divya and Kurungot, Sreekumar} } @article {45547, title = {Real-Time monitoring of biopharmaceutical crystallization: chord length distribution to crystal size distribution for lysozyme, rHu insulin, and vitamin B12}, journal = {Industrial and Engineering Chemistry Research}, year = {2018}, month = {DEC}, type = {Article}, abstract = {This investigation is focused on designing an effective strategy for the real-time monitoring of biopharmaceutical crystallization using focused beam reflectance measurement (FBRM). Lysozyme, rHu insulin, and vitamin B12 were selected as model biopharmaceutical molecules for the study. Under selected experimental conditions, lysozyme exhibits polymorphism with tetragonal and needle-shaped crystals, rHu insulin forms rhombohedral crystals, and vitamin B12 forms polyhedral-shaped crystals. Focused beam reflectance measurements were performed to obtain the real time chord length distribution (CLD) of crystals obtained using static and dynamic conditions. Mathematical models were developed for converting CLD data obtained using FBRM measurements into the useful crystal size distribution (CSD) data for low (tetragonal, rhombohedral and polyhedral) and high aspect ratio crystals (needle). For high-aspect-ratio crystals, both width-based and length-based models were developed for capturing the CSD. The model validation was performed by comparing the model CSD with the CSD obtained using microscopic image analysis. Developed models effectively capture the CSD for variable shape crystals of lysozyme, rHu insulin, and vitamin B12. It was demonstrated that in the case of high-aspect-ratio crystals, there is an intrinsic limitation in using FBRM for length-based crystal size measurement.}, doi = {10.1021/acs.iecr.8b04613}, author = {Pandit, A. and Katkar, V. and Ranade, V. and Bhambure, R.} } @article {44555, title = {Recent advances in molecular rearrangements involving aryne intermediates}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {MAR}, pages = {2580-2594}, abstract = {
This Feature Article is aimed at highlighting the recent developments in the transition-metal-free molecular rearrangements involving arynes. The chemistry of arynes has shown incredible developments especially in transition-metal-free carbon-carbon and carbon-heteroatom bond-forming reactions in the last three decades. The rapid growth in this field is mainly due to the development of mild methods for the generation of arynes. One aspect of the recent developments in the chemistry of arynes involves the molecular rearrangements proceeding via this electrophilic intermediate. The molecular rearrangements have provided direct access to a library of valuable molecules, which cannot be accessed in a single step through other synthetic routes. Herein, we present a concise account on the developments that occurred in this field over the last three decades.
}, issn = {1359-7345}, doi = {10.1039/c7cc09122b}, author = {Roy, Tony and Biju, Akkattu T.} } @article {45463, title = {Recent advances in the organocatalytic enantioselective synthesis of functionalized -lactones}, journal = {Chemistry-An Asian Journal}, volume = {13 }, year = {2018}, month = {SEP}, pages = {2333-2349 }, type = {Article}, abstract = {
This Focus Review highlights recent developments in the organocatalytic enantioselective synthesis of -lactone derivatives. Owing to the importance of -lactones as a heterocyclic motif that is present in a variety of natural products and biologically active molecules, several catalytic methods have been developed for the synthesis of these compounds in their enantiomerically pure form. Organocatalytic methods that employ N-heterocyclic carbenes (NHCs), cinchona alkaloids, isothioureas, 4-dimethylaminopyridine (DMAP) derivatives, and phosphines have allowed the highly enantioselective synthesis of -lactones from cheap and readily available starting materials. Moreover, the inherent strain in the four-membered ring of -lactones has also been utilized in further synthetic transformations, thus making -lactones a versatile intermediate in organic synthesis.
}, doi = {10.1002/asia.201800902}, author = {Mukherjee, Subrata and Biju, Akkattu T.} } @article {45608, title = {Recent methods for the synthesis of α-acyloxy ketones }, journal = {Organic and biomolecular chemistry}, volume = {16}, year = {2018}, month = {DEC}, pages = {9334-9348 }, type = {Article }, abstract = {The present review provides a broad description of the methods reported for the synthesis of α-acyloxy ketones and some of their derivatives. α-Acyloxy ketones and their derivatives are vital synthetic intermediates and are ubiquitous as biochemical constituents of living organisms, biologically active natural products and pharmaceuticals. Due to their biological importance, new methods for their synthesis are being continuously developed and documented in the recent past. However, the chemical literature lacks a comprehensive summary on the synthetic methodologies targeting α-acyloxy ketones. In an attempt to fill this void, this review discusses their synthetic procedures developed over time. The synthetic approaches are systematically classified based on the substrates used. The mechanistic details for certain critical cases are also discussed. In the past, preparation of α-acyloxy ketones was reported from functionalized ketones like α-haloketones and diazo esters. Later on, among the reactions that formed the acyloxy ketones, oxidative coupling of ketones with carboxylic acids both under metal and metal-free conditions made their synthesis simple and versatile. Specifically, in the last decade, many oxidative coupling reactions emerged as a powerful tool for the synthesis of α-acyloxy ketones. Quite recently, acyloxy ketones{\textquoteright} synthesis has been reported from commercially available alkenes and alkynes through oxidative addition reactions. Subsequently, the mechanistic details for these coupling reactions became interesting to many organic chemists. The asymmetric version of the title compounds hails from their enzymatic resolution to metal catalysed chiral synthesis. Besides, the synthesis of acyloxy ketones from epoxides, alcohols and enamides using various oxidative reagents has also been documented.}, doi = { 10.1039/C8OB02881H}, author = {Prasad, P. K. and Reddi, R. N. and Arumugam, S.} } @article {45592, title = {Recursive orthogonal least squares based adaptive control of a polymerisation reactor}, journal = {Indian Chemical Engineer}, year = {2018}, month = {NOV}, type = {Article}, abstract = {A Nonlinear Internal Model Control (NIMC) scheme, based on a recursively updated Radial Basis Function Network (RBFN), is applied to control the nonlinear Polymerisation process. Recursive Orthogonal Least Squares (ROLS) algorithm recursively updates the weighting matrix of RBFN in real time, such that modelling errors are minimised. In addition to the ROLS based adaptive IMC, a non-adaptive IMC, based on the fixed Orthogonal Least Squares (OLS) algorithm and a normal PID controller are also applied to control the polymerisation process. The simulated results show the effectiveness of the ROLS based controller in terms of response time to step changes and disturbance rejection capabilities over the classical PID controller and the fixed OLS based IMC. Also, the proposed algorithm fits well in the IMC framework}, doi = {10.1080/00194506.2018.1545605}, author = {Tiwari, S. and Sawant, P. and Rahman, I.} } @article {45407, title = { Refractive index and vapor-liquid equilibrium data for the binary systems of anisole with xylene isomers at 93.13 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {63}, year = {2018}, month = {SEP}, pages = {3475-3481}, type = {Article}, abstract = {Phase equilibrium behavior of binary systems of anisole with xylene isomers was analyzed experimentally. An apparatus which establishes equilibrium conditions through continuous circulation of equilibrium vapor condensate and equilibrium liquid was used. Experimental data comprising refractive indices of binary mixtures, equilibrium compositions of vapor and liquid, and equilibrium temperature are reported for all binary systems. Thermodynamic consistency of vapor-liquid equilibrium data was established for using the Herington, Van Ness and absolute mean deviation tests. Interaction parameters of activity coefficient models, Wilson, nonrandom two liquid, and universal quasichemical, which are important for accounting nonideal behavior in process modeling, are also estimated through regression of the respective binary VLE data. Although VLE data shows that binary systems are nonazeotropic in nature, a pinch in the T-x,y plot indicates that separation of all binary system using distillation may need a significant number of stages.}, doi = {10.1021/acs.jced.8b00348}, author = {Yadav, Satyajeet S. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {44556, title = {Regioselective and efficient enzymatic synthesis of antimicrobial andrographolide derivatives}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {28}, year = {2018}, month = {APR }, pages = {1132-1137}, abstract = {
Labdane diterpene andrographolide (1) is a major constituent of Andrographis paniculata and known to exhibit wide spectrum of biological activities. In this study, regioselective monoesters of (1) have been synthesized by using Amano lipase AK (Pseudomonas fluorescens) as a biocatalyst. Amano lipase AK was able to execute highly efficient esterification of hydroxyl group attached to C-14 carbon of (1) in presence of acyl donors. Among the various synthesized derivatives including two novel compounds such as andrographolide-14-propionate (3) and andrographolide-14-caproate (5) displayed antimicrobial activity against Staphylococcus aureus with low minimal inhibitory concentration (MIC) 4 mu g/mL and 16 mu g/mL respectively. Furthermore, they have shown low hemolysis activity at their respective MIC and increase in the permeability of the bacterial cell membrane as delineated by FITC uptake and SEM imaging studies. (C) 2018 Elsevier Ltd. All rights reserved.
}, keywords = {Acylation, Andrographolide, Antimicrobial activity, biocatalysis, Hemolysis, Lipase, Natural product}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2018.01.007}, author = {Patil, Harshal S. and Jadhav, Dipesh D. and Paul, Ajay and Mulani, Fayaj A. and Karegaonkar, Shrikant J. and Thulasiram, Hirekodathakallu V.} } @article {45426, title = { Regioselective and stereoselective reductive aziridinium ring cleavage leading to azabicyclodecane architecture: enantioselective synthesis of (+)-subincanadine F}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {OCT}, pages = {12164-12170}, type = {Article}, abstract = {Enantioselective synthesis of cytotoxic indole alkaloid (+)-subincanadine F was accomplished starting from the corresponding (S)-acetoxysuccinimide via aziridinium ring formation and its reductive ring expansion route. Regioselective and stereoselective reductive aziridinium carbon-nitrogen bond cleavage comprising ring expansions was a key step. The (S)-OMOM protection of the hydroxyl moiety adjacent to a benzylic carbon of an in situ formed aziridinium system was necessary for lithium borohydride-induced reductive ring expansions, and it also served as a latent source of an essential ketone carbonyl group for the generation of an alpha,beta-conjugated system.}, issn = { 0022-3263}, doi = {10.1021/acs.joc.8b02113}, author = {Kalshetti, Manojkumar G. and Argade, Narshinha P.} } @article {45376, title = {Removable functional group strategy for regiodivergent Wittig rearrangement products}, journal = {Organic \& Biomolecular Chemistry }, volume = {16}, year = {2018}, month = {DEC}, pages = {8922-8926}, type = {Article}, abstract = {1,2] and [2,3] Wittig rearrangements are competing reaction pathways, often leading to uncontrollable product distribution. We employ a single removable functional group to fulfill the dual role of attaining a reversible [2,3] and stabilizing radical intermediate for the [1,2] path to obtain both the Wittig products selectively for a broad range of substrates.}, issn = {1477-0520}, doi = {10.1039/c8ob02221f}, author = {Alam, Md Nirshad and Lakshmi, K. M. and Maity, Pradip} } @article {44643, title = {Repeated photoporation with graphene quantum dots enables homogeneous labeling of live cells with extrinsic markers for fluorescence microscopy}, journal = {Light-Science \& Applications}, volume = {7}, year = {2018}, month = {AUG}, pages = {47}, abstract = {
In the replacement of genetic probes, there is increasing interest in labeling living cells with high-quality extrinsic labels, which avoid over-expression artifacts and are available in a wide spectral range. This calls for a broadly applicable technology that can deliver such labels unambiguously to the cytosol of living cells. Here, we demonstrate that nanoparticle-sensitized photoporation can be used to this end as an emerging intracellular delivery technique. We replace the traditionally used gold nanoparticles with graphene nanoparticles as photothermal sensitizers to permeabilize the cell membrane upon laser irradiation. We demonstrate that the enhanced thermal stability of graphene quantum dots allows the formation of multiple vapor nanobubbles upon irradiation with short laser pulses, allowing the delivery of a variety of extrinsic cell labels efficiently and homogeneously into live cells. We demonstrate high-quality time-lapse imaging with confocal, total internal reflection fluorescence (TIRF), and Airyscan super-resolution microscopy. As the entire procedure is readily compatible with fluorescence (super resolution) microscopy, photoporation with graphene quantum dots has the potential to become the long-awaited generic platform for controlled intracellular delivery of fluorescent labels for live-cell imaging.
}, issn = {2047-7538}, doi = {10.1038/s41377-018-0048-3}, author = {Liu, Jing and Xiong, Ranhua and Brans, Toon and Lippens, Saskia and Parthoens, Eef and Zanacchi, Francesca Cella and Magrassi, Raffaella and Singh, Santosh K. and Kurungot, Sreekumar and Szunerits, Sabine and Bove, Hannelore and Ameloot, Marcel and Fraire, Juan C. and Teirlinck, Eline and Samal, Sangram Keshari and De Rycke, Riet and Houthaeve, Gaelle and De Smedt, Stefaan C. and Boukherroub, Rabah and Braeckmans, Kevin} } @article {44559, title = {Retention of anticancer activity of curcumin after conjugation with fluorescent gold quantum clusters: an in vitro and in vivo xenograft study}, journal = {ACS Omega}, year = {2018}, month = {MAY}, abstract = {Gold nanoparticles (Au NPs) have been thoroughly investigated for anti-cancer therapy. However, their undesired high gold content remains a problem when injected into the body for drug delivery applications. In this report, we made an effort to conjugate the curcumin molecules on the surface of gold quantum clusters (Au QCs) by a novel in situ synthesis method which provides an alternative route to not only reduce the metallic content but also increase the water solubility of curcumin and the loading efficiency. Here, curcumin itself acts as a reducing and capping agent for the synthesis of Au QCs. The UV-vis absorption, fluorescence, transmission electron microscopy, and electrospray ionization mass spectrometry results confirmed the synthesis of fluorescent Au QCs. Curcumin-conjugated Au NPs (C-Au NPs) and glutathione (GSH)-conjugated Au QCs (GSH-Au QCs) were also synthesized to visualize the effect of particle size and the capping agent, respectively, on the cytotoxicity to normal and cancer cells. The 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay showed that the curcumin-conjugated Au QCs (C-Au QCs) were less cytotoxic to normal cells while almost the same cytotoxic to cancer cells in comparison to curcumin itself, which indicates that curcumin preserves its anticancer property even after binding to the Au QCs. However, C-Au NPs and GSH-Au QCs did not show any cytotoxicity against the normal and cancer cells at the concentration used. The western blot assay indicated that C-Au QCs promote apoptosis in cancer cells. Further, the in vivo study on severe combined immunodeficiency mice showed that C-Au QCs also inhibited the tumor growth efficiently without showing significant toxicity to internal organs.}, doi = {10.1021/acsomega.8b00113}, author = {Khandelwal, Puneet and Alam, Aftab and Choksi, Arpankumar and Chattopadhyay, Samit and Poddar, Pankaj} } @article {44560, title = {Revealing optoelectronic and transport properties of potential perovskites Cs2PdX6 (X = Cl, Br): A probe from density functional theory (DFT)}, journal = {Solar Energy}, volume = {162}, year = {2018}, month = {MAR }, pages = {336-343}, abstract = {
Metal-halide perovskites are rapidly emerging crystalline materials that are reasonably preferred as leading aspirant for applications in optoelectronic and thermoelectric devices. In this paper, we have thoroughly reviewed and performed calculations to reveal optoelectronic and transport properties for a potential newcomer, Cs2PdX6 (X = Cl, Br) termed as Cesium Palladium Halides (CPH). Outcome of present computations are compared with available results and a reasonable agreement is recorded. Energy band gap computations performed reveal indirect band gap of 2.29 eV for Cs2PdC16, which substantially reduces to 1.22 eV when {\textquoteleft}Cl{\textquoteright} is replaced by {\textquoteleft}Br{\textquoteright}. Optical absorption spectra investigations performed here, in the energy range from 3 to 5 eV confirms effective utilization of these compounds in solar cells and other optoelectronic applications. In addition, the transport properties computations performed using semi-classical Boltzmann theory, shows constant pattern of thereto power near ambient temperature range (200-500 K), which admits possible utilization of these compounds as low temperature thermoelectric materials. Performed ZT calculations demonstrates reasonably good thermoelectric performance for both materials, as there exist minor variation (0.1) in the values over wide temperature ranges i.e. from 100 to 800 K. Further, detailed analysis of transport properties predicts p-type semiconducting nature of the present series of materials.
}, keywords = {Ab-initio studies, Density functional theory, Optical properties, Transport properties}, issn = {0038-092X}, doi = {10.1016/j.solener.2018.01.059}, author = {Bhamu, K. C. and Soni, Amit and Sahariya, Jagrati} } @article {44562, title = {Reversible phase transformation phenomenon in titanium dioxide films: evidence beyond interface-nucleation and dissolution-precipitation kinetics}, journal = {Acta Materialia}, volume = {146}, year = {2018}, month = {MAR}, pages = {253-264}, abstract = {
The re-crystallization kinetics and rutile to anatase reversible phase transformation (PT) in nano crystalline titanium dioxide (TiO2) are reported. Initially, an amorphous TiO2 film is used for the present study and in situ isothermal annealing dependent nucleation and growth kinetics of anatase and rutile phase is studied at low temperature (similar to 523 K) and well explained using Johnson Mehl AvramiKolmogorov (JMAK) model. The anatase nanocrystallite (NCs) transformation into rutile phase is reported with isothermal annealing for longer time and temperature dependent annealing in lower temperature range 523 K-673 K and explained using interface-nucleation mechanism. Furthermore, the thermodynamic stability of rutile NCs and lattice stress-induced reversible PT in nano-sized rutile TiO2 are confirmed in moderate temperature range (623 K- 973 K) and well explained using x-ray diffraction, micro-Raman spectroscopy and near edge x-ray absorption fine structure spectroscopy studies. However, annealing at higher temperature (1123 K- 1323 K) induces the growth of anatase NCs and their natural transform into rutile phase are explained by well-known dissolution precipitation mechanism. Activation energy of rutile PT is quantified and found higher for dissolution-precipitation mechanism than that for interface nucleation at earlier stage. Thus, overall PT kinetics at different temperature range is well understood by invoking in three step mechanism: 1) early stage anatase-to-rutile transformation is dominated by interface-nucleation, II) then intermediate stage reversible rutile-to-anatase PT and, Ill) at later stages, anatase-to-rutile PT is controlled by dissolution precipitation mechanism. (C) 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Dissolution-precipitation kinetics, Interface-nucleation mechanism, Johnson-Mehl-Avrami-Kolmogorov (JMAK) approach, Reversible phase transformation}, issn = {1359-6454}, doi = {10.1016/j.actamat.2017.12.050}, author = {Gautam, Subodh K. and Singh, Jitendra and Shukla, D. K. and Pippel, E. and Poddar, P. and Singh, Fouran} } @article {44563, title = {Revisiting amino acids and peptides as anti-glycation agents}, journal = {Medchemcomm}, volume = {9}, year = {2018}, month = {APR}, pages = {614-624}, abstract = {
The importance of controlling or preventing protein glycation cannot be overstated and is of prime importance in the treatment of diabetes and associated complications including Alzheimer{\textquoteright}s disease, cataracts, atherosclerosis, kidney aliments among others. In this respect, simple molecules such as amino acids and peptides hold much promise both in terms of ease and scale-up of synthesis as well as in relation to negligible/low associated toxicity. In view of this, a comprehensive account of literature reports is presented, that documents the anti-glycation activity of natural and non-natural amino acids and peptides. This review also discusses the chemical reactions involved in glycation and the formation of advanced glycation end-products (AGEs) and possible/probable intervention sites and mechanism of action of the reported amino acids/peptides. This aspect of amino acids/peptides adds to their growing importance in medicinal and therapeutic applications.
}, issn = {2040-2503}, doi = {10.1039/c7md00514h}, author = {Chilukuri, H. and Kulkarni, Mahesh J. and Fernandes, M.} } @article {44588, title = {Role of oxygen vacancies and interstitials on structural phase transition, grain growth, and optical properties of Ga doped TiO2}, journal = {Journal of Applied Physics}, volume = {123}, year = {2018}, month = {JUN}, pages = {Article Number: 245702}, abstract = {A systematic study on the effect of gallium (Ga) doping (0 <= x <= 0.10) on the structural phase transition and grain growth of TiO2 is reported here. X-ray diffraction spectroscopy and Raman spectroscopy confirm that Ga doping inhibits the phase transition. Activation energy increases from 125 kJ/mol (x = 0.00) to 300 kJ/mol (x = 0.10) upon Ga incorporation. X-ray photoelectron spectroscopy shows the presence of Ti3+/Ga3+ interstitials, substitution (Ti4+ by Ga3+), and oxygen vacancies in the samples. At lower doping (x <= 0.05), interstitials play a more significant role over substitution and oxygen vacancies, thereby resulting in a considerable lattice expansion. At higher doping (x >= 0.05), the effect of interstitials is compensated by both the effect of substitution and oxygen vacancies, thereby resulting in relatively lesser lattice expansion. Inhibition of the phase transition is the result of this lattice expansion. The crystallite size (anatase) and particle size (rutile) both are reduced due to Ga incorporation. It also modifies optical properties of pure TiO2 by increasing the bandgap (from 3.06 to 3.09 eV) and decreasing the Urbach energy (from 58.59 to 47.25 meV). This happens due to regularization of the lattice by the combined effect of substitution/ interstitials and oxygen vacancies. Published by AIP Publishing.}, doi = {10.1063/1.5027672}, author = {Khatun, Nasima and Tiwari, Saurabh and Vinod, C. P. and Tseng, Chuan-Ming and Liu, Shun Wei and Biring, Sajal and Sen, Somaditya} } @article {44565, title = {Role of palladium crystallite size on CO oxidation over CeZrO 4-δ supported Pd catalysts}, journal = {Journal of Molecular Catalysis }, volume = {455}, year = {2018}, month = {AUG}, abstract = {Photodeposited palladium on nanocrystalline CeZrO 4-δ support was evaluated for CO oxidation, as a function of particle size and pre-treatment. All the catalysts were well characterized by XRD, SEM, EDX, TEM, CO chemi-sorption and Raman spectroscopy. It was observed that change in photodeposition time alters the average crystallite size of Pd, and the same was confirmed by CO chemisorption. 7 nm average crystallite size of Pd exhibited excellent catalytic activity for CO oxidation. In order to understand the effect of support and metal-support interaction, 1 wt\% Pd was deposited deliberately onto reduced and oxidized CeZrO 4-δ support. The reduced support with anionic vacancies and more Ce 3+ species exhibited an improvement in CO oxidation at onset temperature. Detailed analysis shows that Pd-deposition occurs preferentially at oxygen-vacancy sites and subsequent metal-support interaction influences the catalysis.}, doi = {10.1016/j.mcat.2018.05.021}, author = {Burange, Anand S. and Reddy, Kasala Prabhakr and Gopinath, Chinnakonda and Shukla, Rakesh and Tyagi, Avesh K.} } @article {44206, title = {Role of surface ligands in determining the electronic properties of quantum dot solids and their impact on photovoltaic figure of merits}, journal = {Nanoscale}, volume = {10}, year = {2018}, month = {JAN}, pages = {1072-1080}, type = {Article}, abstract = {
Surface chemistry plays a crucial role in determining the electronic properties of quantum dot solids and may well be the key to mitigate loss processes involved in quantum dot solar cells. Surface ligands help to maintain the shape and size of the individual dots in solid films, to preserve the clean energy band gap of the individual particles and to control charge carrier conduction across solid films, in turn regulating their performance in photovoltaic applications. In this report, we show that the changes in size, shape and functional groups of small chain organic ligands enable us to modulate mobility, dielectric constant and carrier doping density of lead sulfide quantum dot solids. Furthermore, we correlate these results with performance, stability and recombination processes in the respective photovoltaic devices. Our results highlight the critical role of surface chemistry in the electronic properties of quantum dots. The role of the size, functionality and the surface coverage of the ligands in determining charge transport properties and the stability of quantum dot solids have been discussed. Our findings, when applied in designing new ligands with higher mobility and improved passivation of quantum dot solids, can have important implications for the development of high-performance quantum dot solar cells.
}, issn = {2040-3364}, doi = {10.1039/c7nr06116a}, author = {Goswami, Prasenjit N. and Mandal, Debranjan and Rath, Arup K.} } @article {44216, title = {Role of the (104) MgCl2 lateral cut in ziegler-natta catalysis: a computational investigation}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {JAN}, pages = {285-296}, type = {Article}, abstract = {
Density functional theory (DFT) has been used for the study of ethylene polymerization in the Ziegler-Natta (ZN) olefin polymerization system for eight different alkoxy group containing titanium catalysts (Cat-A-h), Ti(III)Et(OR)(OR{\textquoteright}) (where R =-CH3,-Et,-tert-butyl, cyclohexane, R{\textquoteright} = CH3,-Et,-tert-butyl, cyclohexane). What is of significance is that the catalysts studied were all considered to be tethered to the (104) MgCl2 surface, which has traditionally been considered a {\textquoteleft}{\textquoteleft}dormant{\textquoteright}{\textquoteright} surface in Z-N catalysis systems, in contrast to the {\textquoteleft}{\textquoteleft}more active{\textquoteright}{\textquoteright} (110) MgCl2 surface. Our calculations indicate that the binding of all the catalysts to the (104) surface is favorable, even after taking entropic effects into account. For purposes of comparison, ethylene polymerization has been investigated for the Cat-C (TiEt(OEt)(2)) and the Cat-H (TiEt(CI)(OC4H8Cl)) (OC4H8Cl = the chlorobutoxy group) cases, for both the (i) (110) and the (ii) (104) MgCl2 surfaces. It has been seen that for both (i) and (ii)-the energy gap between insertion and the termination barriers (Delta X) was nearly the same for both the Cat-C and Cat-H eases, which shows that ethylene polymerization on the (104)MgCl2 surface is likely to be a ptoininent occurrence in Z-N catalysis, when alkoxy groups are bound to the titanium center. Additionally, for the Cat-C and the Cat-H cases, the regio-and stereoselective behavior of the propylene monomer on the titanium species present on the (110) and the (104) MgCl2 surfaces has also been investigated, and the results indicate that the (104) MgCl2 surface is only slightly less effective than the (110. However, the calculations also indicate that for Cat-H the (104) MgCl2 surface significantly improves the molecular weight of polypropylene in comparison to the (110) surface, further showcasing how the (104) surface (ignored until date) might be a major player in ZN catalysis. Given that a major portion of the MgCl2 support is made up of (104) lateral cuts, the current findings are of considerable relevance.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b07893}, author = {Kumawat, Jugal and Gupta, Virendra Kumar and Vanka, Kumar} } @article {44190, title = {Rufinamide: crystal structure elucidation and solid state characterization}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {149}, year = {2018}, month = {FEB}, pages = {185-192}, type = {Article}, abstract = {
Rufinamide (R) is a triazole derivative approved for the management of partial seizures and seizures associated with Lennox-Gastaut Syndrome, in November 2007. Crystal structure, solid state characterization, drug-excipient compatibility and solubility play a pivotal role in formulation development. This work deals with the crystal structure elucidation of R by single crystal X-ray diffraction and solid state characterization by thermal, spectroscopic and crystallographic techniques. Drug- excipient compatibility was assessed by differential scanning calorimetry (DSC). New RP-HPLC method for quantification of R was developed with improved retention time. Solubility and dissolution of drug in different media was determined. Additionally, the flow behavior of the drug was evaluated by measuring Carr{\textquoteright}s index and Hausner{\textquoteright}s ratio, while the compressibility behavior was studied using Well{\textquoteright}s protocol. R crystallized from dimethylformamide (R-DMF) was utilized for single crystal analysis. The drug crystallized in triclinic crystal system with P-1 space group. Asymmetric unit cell consists of two molecules of R held by intermolecular hydrogen bond (connected by N-H center dot center dot center dot O, which forms the catemeric chain). Analytical outcomes from DSC, thermogravimetric analysis (TGA) and powder X-ray diffraction (PXRD) revealed that the drug was present in pure crystalline form and was devoid of any polymorphic or pseudopolymorphic impurities. Influence of pH on the solubility and dissolution of R-DMF was found to be insignificant. The drug exhibited poor aqueous solubility, which was improved nearly 4.6 fold with the addition of 2\% sodium lauryl sulphate (SLS). The drug exhibits poor flow and elastic compression nature. Excipients such as poly ethylene glycol (PEG) 8000, SLS, lactose monohydrate, starch and Hydroxypropyl methylcellulose (HPMC) E15 were incompatible with R-DMF as identified by thermal analysis. It is envisaged that these information regarding solid state properties of R-DMF would aid in identifying a logical path for formulation development. (C) 2017 Elsevier B.V. All rights reserved.
}, keywords = {Compressibility, Dissolution media, DSC, HPLC method, solubility}, issn = {0731-7085}, doi = {10.1016/j.jpba.2017.11.003}, author = {Salunke, Nita and Thipparaboina, Rajesh and Chavan, Rahul B. and Lodagekar, Anurag and Mittapalli, Sudhir and Nangia, Ashwini and Shastri, Nalini R.} } @article {44217, title = {Ru(II)-functionalized SBA-15 as highly chemoselective, acid free and sustainable heterogeneous catalyst for acetalization of aldehydes and ketones}, journal = {Catalysis Communications}, volume = {104}, year = {2018}, month = {JAN}, pages = {62-66}, type = {Article}, abstract = {
Combining electron deficient Ru(II) coordination sites with organofunctionalized SBA-15, (L)Ru(Il)@SBA-15, result in a mild, neutral, water scavenger free and chemo-selective acetalization catalyst for cyclic/acyclic acetals. Vacant coordination sites of ruthenium in (L)Ru(II)@SBA-15 activates protecting groups as well as reactants simultaneously and restricts the reverse acetalization reaction. Synthesized (L)Ru(Il)@SBA-15 catalyst has been thoroughly characterized and act as competitive catalyst compared to conventional acid catalysts. (L) RuaD@SBA-15 performs high catalytic activity as well as selectivity within 20 min with high TOF. The catalyst can be recycled and reaction parameters are optimized.
}, keywords = {Acetalization reactions, Acid free, chemo-selective, heterogeneous catalyst, Reusable, Ru(II) immobilized SBA-15}, issn = {1566-7367}, doi = {10.1016/j.catcom.2017.10.016}, author = {Lazar, Anish and Betsy, K. J. and Vinod, C. P. and Singh, A. P.} } @article {45438, title = {Ruthenium-catalyzed regioselective alkenylation/tandem hydroamidative cyclization of unmasked quinazolinones using terminal alkynes}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {AUG}, pages = {8906-8913}, type = {Article}, abstract = {
Ruthenium-catalyzed amide directed C-sp2-H activation of the quinazolinone scaffold has been demonstrated, leading to the selective mono- or dialkenylation in moderate to good yields to achieve medicinally important stilbene containing quinazolinones. The terminal allcyne is utilized as a coupling partner, which resulted in the selective trans-alkene formation. Electron-deficient phenylacetylenes facilitate alkenylation followed by tandem hydroamidation of the newly generated trans double bond to provide novel quinazolinone alkaloids related to the Luotonine class of natural products.
}, doi = {10.1021/acs.joc.8b01143}, author = {Viveki, Amol B. and Mhaske, Santosh B.} } @article {44390, title = {Salts and salt cocrystals of the antibacterial drug pefloxacin}, journal = {Crystal Growth \& Design}, volume = {18}, year = {2018}, month = {MAY}, pages = {2824-2835}, abstract = {Pefloxacin (PEF) is an amphoteric, antibacterial drug which exists as a neutral molecule in the crystal structure stabilized by C-H center dot center dot center dot O and C-H center dot center dot center dot F interactions. The design of multicomponent solids using crystal engineering was undertaken in a cocrystal/salt screen of PEF with generally recognized as safe (GRAS) dicarboxylic acids to improve the solubility and phase stability of the drug. Ten multicomponent forms, namely, five salts, two salt hydrates, and three salt cocrystals, were prepared by liquid-assisted grinding followed by crystallization. In some cases, salt and salt cocrystals were obtained concomitantly during solution evaporative crystallization. Single crystal X-ray diffraction showed that the structures are stabilized by N+-H center dot center dot center dot O-, O-H center dot center dot center dot O, C-H center dot center dot center dot O, C-H center dot center dot center dot F, and pi-pi stacking interactions. The bulk phase purity of multicomponent forms was characterized by powder X-ray diffraction, spectroscopy, and thermal techniques. The salt/salt cocrystal forms exhibit a faster dissolution rate and higher solubility compared to pure PEF in pH 1.2 (acidic, like gastric environment) and pH 7 phosphate buffer media (neutral, like intestinal passage). Specifically the PEF+-SA(-) salt (SA = succinic acid) showed remarkably high solubility, dissolution rate, and stability compared to the other multicomponent forms and PEF neutral form. The drug formulation compatible pefloxacin succinate is a promising soluble and stable PEF salt.}, doi = {10.1021/acs.cgd.7b01600}, author = {Gunnam, Anilkumar and Suresh, Kuthuru and Nangia, Ashwini} } @article {44392, title = {Selective N-acetylation with concurrent S-oxidation of o-amino thiol at ambient conditions over Ce doped ZnO composite nanocrystallites}, journal = {Molecular Catalysis}, volume = {450}, year = {2018}, month = {MAY}, pages = {19-28}, abstract = {The oxidative S-S coupling of thiol to disulfide is an imperative chemical transformation in the domain of biological processes and also finds numerous chemical applications. The CeO2 and ZnO are significant catalysts for oxidation of thiol to disulfide and N-acetylation of amines respectively. Dithiobis(phenylene)bis(benzyldeneimine) moiety containing N-acetyl and disulfide functional groups is a potential antimicrobial agent with Leishmanicidal and antihyperlipidemic activities. Herein, we report a synchronized catalytic application of Ce doped ZnO (Ce-ZnO) and CeO2-Ce-ZnO composites for selective synthesis of Dithiobis(phenylene)bis(benzyldeneimine) from o-amino thiol. The Ce-ZnO samples were synthesized by simple co precipitation method by calcination of hydroxide precursors at 400 degrees C to get 0-10\% Ce-ZnO nanocrystallites. The formation of CeO2-Ce-ZnO composite material was observed beyond 1.5\% Ce concentration. The synthesized materials were well characterized by IR, XRD, DRS spectroscopy and SEM-EDS analysis. The application of Ce doped ZnO as an efficient catalyst towards the selective N-acetylation and concurrent S-oxidation of o-amino thiol to afford Dithiobis(phenylene)bis(benzyldeneimine) at ambient temperature in acetonitrile was deliberated. Among all screened catalysts, the maximum selectivity was found for 7.5\% Ce-ZnO as CeO2-Ce-ZnO composite catalyst. Lewis acidic property of catalyst supported probable mechanism for achieved dual transformations. Also, the 7.5\% Ce-ZnO catalyst has demonstrated a versatile S-S coupling ability for variety of thiol substrates with excellent stability.}, doi = {10.1016/j.mcat.2018.03.007}, author = {Jagtap, Rohidas and Sakate, Sachin and Pardeshi, Satish} } @article {44639, title = {Selective oxidation of cyclohexane to cyclohexanone using chromium oxide supported mesoporous MCM-41 nanospheres: probing the nature of catalytically active chromium sites}, journal = {ChemCatChem}, volume = {10}, year = {2018}, month = {AUG}, pages = {3291-3298}, abstract = {
Highly dispersed chromium oxide supported mesoporous MCM-41 nanosphere catalysts have been synthesized using a simple wet impregnation method. This work is devoted to a systematic study to reveal the active Cr sites in chromium oxide supported MCM-41 nanosphere catalysts for the selective oxidation of cyclohexane to cyclohexanone. To probe the nature of the active species, we synthesized 0.5-10wt\% Cr loaded catalysts and characterized them by using XRD, UV/Vis spectroscopy, Raman spectroscopy, X-ray photoelectron spectroscopy, extended X-ray absorption fine structure analysis, X-ray absorption near edge structure analysis, N-2 sorption analysis, FTIR spectroscopy, (SiNMR)-Si-29 spectroscopy, SEM, and TEM. The liquid-phase oxidation of cyclohexane to cyclohexanone (99\% selectivity) was performed under mild reaction conditions, and the results reveal clearly that the 5wt\% Cr loaded catalyst was optimum for the reaction. The initial composition of isolated Cr3+ species in the catalyst is the major factor that influences the enhanced activity for cyclohexane oxidation.
}, keywords = {chromium, heterogeneous catalysis, Nanostructures, Oxidation, supported catalysts}, issn = {1867-3880}, doi = {10.1002/cctc.201800309}, author = {Betsy, Kurisingal J. and Nayak, Chandrani and Lazar, Anish and Krishnan, Athira and Bhattacharyya, Dibyendu and Jha, Shambhu N. and Vinod, Chathakudath P.} } @article {45460, title = {Selective production of furanic ethers from lignocellulosic biomass over mesoporous Zr-incorporated SBA-15 catalyst}, journal = {ChemistrySelect }, volume = { 3}, year = {2018}, month = {NOV}, pages = {12504-12511}, type = { Article }, abstract = {Etherification of furanic compounds such as furfuryl alcohol (FA) and 5-(Hydroxymethyl) furfural (5-HMF) to the corresponding ethers was successfully achieved over Zr-SBA-15 catalyst. For this purpose, various Zr-SBA-15 catalysts with different Zr/Si molar ratios in self-generated acidic environment were prepared by one-pot strategy in self-generated acidic environment. XRD analysis revealed the increase in the d-spacing from 9.021 nm for parent SBA-15 to 11.66 nm for Zr-SBA-15, confirming the incorporation of Zr into the framework without disturbing the mesoporous structure of SBA-15. For the lowest Zr concentration of 0.09 M, hexagonally ordered porous structure was found to be retained as confirmed by TEM while, increase in Zr/Si molar ratio to 0.14, resulted in loss of long range order mesoporosity. The presence of both Lewis and Bronsted acid sites in Zr-SBA-15 catalyst as evidenced by py-IR, were due to the introduction of Zr in the frame work of SBA-15. The co-existence of Lewis and Bronsted acid sites in Zr-SBA-15 was responsible to catalyze etherification of FA and esterification of levulinic acid producing 2-(Ethoxymethyl) furan and ethyl levulinate selectively, both of which are bio-derived fuel additives.}, issn = {2365-6549}, doi = { 10.1002/slct.201801939}, author = {Patil, Chetana R. and Rode, Chandrashekhar, V.} } @article {44368, title = {Self-assembly of Cis-configured squaraine dyes at the TiO2-dye interface: far-red active dyes for dye-sensitized solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {10}, year = {2018}, month = {MAY}, pages = {16541-16551}, type = {Article}, abstract = {To synergize both steric and electronic factors in designing the dyes for dye-sensitized solar cells, a series of cis-configured unsymmetrical squaraine dyes P11-P15 with suitably functionalized alkyl groups and squaric acid units containing the electron-withdrawing groups were synthesized, respectively. These dyes capture the importance of (i) the effect and position of branched alkyl groups, (ii) mono- and di-anchoring groups containing dyes, and (iii) further appending the alkyl groups through the cyanoester vinyl unit on the central squaric acid units of DAD-based cis-configured squaraine dyes. All the above factors govern the controlled self-assembly of the dyes on the TiO2 surface which helps to broaden the absorption profile of the dyes with an increased energy-harvesting process. With respect to the position of the branched alkyl groups, dye P11 with the sp(3)-C and N-alkyl groups away from the TiO2 surface showed a better device efficiency of 5.98\% (J(sc) of 14.46 mA cm(-2), V-oc of 0.576 V, and ff of 71.8\%) than its positional isomer P12 with 3.45\% (J(sc) of 8.78 mA cm(-2), V-oc of 0.554 V, and ff of 70.9\%). However, with respect to the dyes containing mono- and di-anchoring groups, P13 with two anchoring units exhibited a superior device performance of 7.58\% (J(sc) of 17.12 mA cm(-2), V-oc of 0.618 V, and ff of 71.7\%) in the presence of optically transparent co-adsorbent CDCA (3 alpha,7 alpha-dihydroxy-5 beta-cholanic acid) than dyes P11 and P12.}, doi = {10.1021/acsami.8b03106}, author = {Punitharasu, Vellimalai and Kavungathodi, Munavvar Fairoos Mele and Nithyanandhan, Jayaraj} } @article {44362, title = {Sensitive electrochemical detection of cardiac troponin I in serum and saliva by nitrogen-doped porous reduced graphene oxide electrode}, journal = {Sensors and Actuators B-Chemical}, volume = {262}, year = {2018}, month = {JUN}, pages = {180-187}, type = {Article}, abstract = {Cardiovascular diseases pose one of the highest mortality risks among all diseases in developed countries, steadily increasing the burden on the health systems. Early diagnosis of cardiovascular diseases has consequently become highly important to decrease mortality and to use more adapted therapeutic decisions. We demonstrate here the utility of nitrogen-doped reduced graphene oxide (N-prGO) for detecting and quantifying of cardiac troponin I (cTnI), a key human cardiac protein biomarker, under physiologically relevant conditions. Non-covalent modification of N-prGO by 1-pyrenecarboxylic acid (py-COOH) and poly(ethylene glycol) modified pyrene (py-PEG) ligands allowed the covalent integration of Tro4 aptamer, known for its high selectivity towards cTnI. Using differential pulse voltammetry (DPV), a label-free electrochemical sensor for cTnI for concentrations down to 1 pgmL(-1) in human serum could be obtained. This sensitive detection arises from the integration of a porous nanomaterial with excellent electrochemical properties being easily amendable to site-specific surface modification. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.snb.2018.01.215}, author = {Chekin, Fereshteh and Vasilescu, Alina and Jijie, Roxana and Singh, Santosh K. and Kurungot, Sreekumar and Iancu, Madalina and Badea, Gabriela and Boukherroub, Rabah and Szunerits, Sabine} } @article {44336, title = {Sensitizing with short conjugated molecules: multimodal anchoring on ZnO nanoparticles for enhanced electron transfer characteristics, stability and H-2 evolution}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {89-97}, type = {Article}, abstract = {Sensitizing semiconductors with organic dyes is usually employed to improve efficiency of semiconductors towards visible light absorption and charge transport. However, till date most of the dyes are either noble metal based with complex and expensive synthesis procedure or have a very narrow absorption band. Further the photostability of the dyes is another important issue. In this work we have studied, using a combination of photophysical and computational methods, ZnO nanoparticles sensitized with transition metal free, cheap and easy to synthesize azoquinoline dye that has been designed to have multiple chelating sites, viz., carboxylic group and hydroxyl imine group as a photocatalyst for water splitting activity. We find that the presence of multiple chelating sites facilitates dual mode of anchoring on ZnO nanoparticles, which leads to enhanced photostability and H-2 generation of the composite. This is attributed to the incorporation of resonance features in the dye that increases electron transfer between ZnO and dye in contrast to the charge accumulation and photo degradation observed in non-conjugated and single site anchoring counterparts. Electron transfer from ZnO to dye under UV light and reverse in visible light could be identified experimentally. Such simple designing aspects can aid in identifying better catalysts for photocatalytic water splitting.}, doi = {10.1016/j.cattod.2017.09.052}, author = {George, Leena and Sappati, Subrahmanyam and Ghosh, Prasenjit and Devi, R. Nandini} } @article {44636, title = {Serum responsive proteome reveals correlation between oxidative phosphorylation and morphogenesis in Candida albicans ATCC10231}, journal = {Journal of Proteomics}, volume = {185}, year = {2018}, month = {AUG}, pages = {25-38}, abstract = {
To understand the impact of fetal bovine serum (FBS) on metabolism and cellular architecture in addition to morphogenesis, we have identified FBS responsive proteome of Candida albicans. FBS induced 34\% hyphae and 60\% pseudohyphae in C. albicans at 30 C while 98\% hyphae at 37 C. LC-MS/MS analysis revealed that 285 proteins modulated significantly in response to FBS at 30 degrees C and 37 degrees C. Out of which 152 were upregulated and 62 were downregulated at 30 degrees C while 18 were up and 53 were downregulated at 37 degrees C. Functional annotation suggests that FBS may inhibit glycolysis and fermentative pathway and enhance oxidative phosphorylation (OxPhos), TCA cycle, amino acid and fatty acid metabolism indicating a use of alternative energy source by C. albicans. OxPhos inhibition assay using sodium azide corroborated the correlation between inhibition of glycolysis and enhanced OxPhos with pseudohyphae formation. C. albicans induced hyphae in response to FBS irrespective of down regulation of Rasl,Asrl/Asr2, indicates the possible involvement of MAPK and cAMP-PKA independent pathway. The Cell wall of cells grown in presence of FBS at 30 degrees C was rich in mannan, Beta 1,3glucan and chitin while membranes were rich in ergosterol compared to those grown at 37 degrees C. Significance of the study: This is the first study suggesting a correlation between OxPhos and morphogenesis especially pseudohyphae formation in C. albicans. Our data also indicate that fetal bovine serum (FBS) induced morphogenesis is multifactorial and may involve MAPK and cAMP-PKA independent pathway. In addition to morphogenesis, our study provides an insight in to the modulation of metabolism and cellular architecture of C. albicans in response to FBS.
}, keywords = {analysis, Candida albicans, Fetal bovin serum, Liquid chromatography mass spectrometry, morphogenesis, Oxidative phosphorylation, pathogenicity}, issn = {1874-3919}, doi = {10.1016/j.jprot.2018.06.018}, author = {Ahmed, Radfan and Kodgire, Santosh and Santhakumari, B. and Patil, Rajendra and Kulkarni, Mahesh J. and Zore, Gajanan} } @article {44569, title = {Silicon oxidation by NAPPES: From dangling bonds to oxygen islands to 2D SiOx layer to the onset of bulk SiO2 formation}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {MAR }, pages = {4331-4338}, abstract = {
Valence band and core level photoelectron spectral measurements at near-ambient pressures (NAP; up to 0.5 mbar) were made in the presence of molecular oxygen to explore the various oxidation stages of silicon surfaces. Dangling bonds feature observed on clean Si-surfaces in the valence band at ultrahigh vacuum decreases dramatically due to oxygen adsorption between ambient temperature and up to 400 K at 0.1 mbar of O-2 pressure. The adsorption of oxygen on dangling bonds appears to be localized as islands; this reflects in the surface heterogeneous character and also responsible for the broadening in the oxygen gas phase vibrational features. This is further supported by an increase in the work function and can be correlated to the presence of Hofer (molecular) precursor. When the temperature was increased to 500 K, molecular precursor species dissociates to form Si-=-0 species. This is fully supported by the change in the Si work function as well as from the observation of oxidized Si species from Si 2p core level spectra. At \>= 600 K, the Si-=-0 species dissociates to form a uniform 2D oxide layer on the silicon surface, which is characterized by the reappearance of sharp vibration features for gas-phase O-2 molecules. This layer is also quite stable up to 800 K and without any further oxidation in the bulk. On increasing the temperature to 850 K at 0.2 mbar oxygen pressure, bulk Si oxidation begins and the work function increases drastically by 1 eV. An angle-dependent Si 2p spectra recorded map out the presence of elemental Si to Si4+ from bulk to the surface, respectively. A simple model is proposed to show the various stage of silicon oxidation. A continuous change in the work function and electronic states observed due to gas-lattice (O-2-Si) interaction indicates the implications for surface-dependent phenomena, such as heterogeneous catalysis, electrochemistry, 2D layered materials.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b11956}, author = {Ghosalya, Manoj Kumar and Jain, Ruchi and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @article {44367, title = {Silicon-fluorine chemistry: from the preparation of SiF2 to C-F bond activation using silylenes and its heavier congeners}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {MAY}, pages = {5046-5057}, type = {Article}, abstract = {This feature article is intended to provide a background to the history of the isolation of silicon(II) fluorides and the different synthetic methodologies used to generate them. Although first detected in the 1970s, the chemistry of silicon(II) fluorides has not encountered serious research efforts for a rather long period of time. This is somewhat surprising given the fact that the chemistry of compounds with divalent silicon has undergone a renaissance during last three decades. Recently, the interest in silicon(II) fluorides have been resparked with tremendous progress being achieved in this area, in particular, with respect to their synthesis and structural characterisation. The successful isolation of cyclic alkyl amino carbene (cAAC) stabilized silicon difluoride has completed the classic progression of SiF2, from a transient intermediate to spectroscopically detected molecule to a stable compound. The related germanium(II), tin(II), and lead(II) fluoride chemistry will also be discussed. Apart from the isolation of tetrel(II) fluorides, the use of compounds with low valent group 14 elements for the selective activation and functionalisation of C-F bonds has witnessed some remarkable advances, which will also be summarized in this feature article.}, doi = {10.1039/c8cc01816b}, author = {Sen, Sakya S. and Roesky, Herbert W.} } @article {44622, title = {Silk cocoon as counter - electrode substrate in dye - sensitized solar cells}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUL}, pages = {7195-7199}, abstract = {
Electrodes are vital components of energy conversion devices such as dye sensitized solar cells (DSSCs). The widely used electrodes consist of fluorine doped tin oxide (FTO) and platinum. We were interested in identifying a substrate that is available from natural resources and exhibit performance comparable to that of Pt coated FTO (Pt-FTO). Silk fibers are naturally available and they are mechanically stable. The woven silk fibers are known as silk cocoons (SCs) that structurally resemble widely used carbon paper electrodes. To impart conductivity to the insulating SCs, metal film was coated by an electroless metal plating procedure using polyphenols from green tea. The metal coated SCs were conformaly coated with a conjugated polymer and these electrodes were used as flexible electrodes in DSSCs. The flexible electrode based DSSCs exhibited a power conversion efficiency of 7.2\% which is comparable to that of the DSSCs with rigid Pt-FTO based devices (7.4\%).
}, keywords = {counter electrode, PEDOT-G-SCs, Recombination, Silk cocoons (SCs)}, issn = {2365-6549}, doi = {10.1002/slct.201800856}, author = {Sudhakar, Vediappan and Das, Chayanika and Krishnamoorthy, Kothandam} } @article {44380, title = {Silk fibroin micro-particle scaffolds with superior compression modulus and slow bioresorption for effective bone regeneration}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {MAY}, pages = {Article Number: 7235}, abstract = {Silk fibroin (SF), a natural polymer produced by Bombyx mori silkworms, has been extensively explored to prepare porous scaffolds for tissue engineering applications. Here, we demonstrate, a scaffold made of SF, which exhibits compression modulus comparable to natural cancellous bone while retaining the appropriate porosities and interconnected pore architecture. The scaffolds also exhibit high resistance to in-vitro proteolytic degradation due to the dominant beta sheet conformation of the SF protein. Additionally, the scaffolds are prepared using a simple method of microparticle aggregation. We also demonstrate, for the first time, a method to prepare SF micro-particles using a Hexafluoroisopropanol-Methanol solvent-coagulant combination. SF microparticles obtained using this method are monodisperse, spherical, non-porous and extremely crystalline. These micro-particles have been further aggregated together to form a 3D scaffold. The aggregation is achieved by random packing of these microparticles and fusing them together using a dilute SF solution. Preliminary in-vitro cell culture and in-vivo implantation studies demonstrate that the scaffolds are biocompatible and they exhibit the appropriate early markers, making them promising candidates for bone regeneration.}, doi = {10.1038/s41598-018-25643-x}, author = {Nisal, Anuya and Sayyad, Raeesa and Dhavale, Prachi and Khude, Bhakti and Deshpande, Rucha and Mapare, Vidhyashri and Shukla, Swati and Venugopalan, Premnath} } @article {44573, title = {Silver-mediated oxidative decarboxylative intramolecular asymmetric radical cyclization (C sp3 {\textendash}C sp2 ) via memory of chirality: access to circumdatin alkaloids}, journal = {Organic Letters }, volume = {20}, year = {2018}, month = {APR}, pages = {2092-2095}, type = {Article}, abstract = {
A novel silver-mediated oxidative decarboxylative intramolecular asymmetric radical cyclization has been developed to form a Csp3{\textendash}Csp2 bond via memory of chirality. The application of the process has been demonstrated for the synthesis of the circumdatin class of alkaloids in high enantiopurity with retention of the configuration. The developed protocol is mild and works with an inexpensive silver catalyst in the absence of ligand, base, or additives. The involvement of a monoradical in the reaction has been established by trapping the radical intermediate.
}, doi = {10.1021/acs.orglett.8b00652}, author = {Mahajan, Pankaj S. and Mhaske, Santosh B.} } @article {44381, title = {Single pot selective hydrogenation of furfural to 2-methylfuran over carbon supported iridium catalysts}, journal = {Green Chemistry}, volume = {20}, year = {2018}, month = {MAY}, pages = {2027-2037}, abstract = {Various iridium supported carbon catalysts were prepared and screened for the direct hydrogenation of furfural (FFR) to 2-methyl furan (2-MF). Amongst these, 5\% Ir/C showed excellent results with complete FFR conversion and highest selectivity of 95\% to 2-MF at a very low H-2 pressure of 100 psig. Metallic (Ir degrees) and oxide (IrO2) phases of Ir catalyzed the first step hydrogenation involving FFR to FAL and subsequent hydrogenation to 2-MF, respectively. This was confirmed by XPS analysis and some control experiments. At a low temperature of 140 degrees C, almost equal selectivities of FAL (42\%) and 2-MF (43\%) were observed, while the higher temperature (220 degrees C) favored selective hydrodeoxygenation. At optimized temperature, 2-MF was formed selectively while higher pressure and higher catalyst loading favored ring hydrogenation of furfural rather than side chain hydrogenation. With the combination of several control experimental results and detailed catalyst characterization, a plausible reaction pathway has been proposed for the selective formation of 2-MF. The selectivity to various other products in FFR hydrogenation can be manipulated by tailoring the reaction conditions over the same catalyst.}, doi = {10.1039/c8gc00284c}, author = {Date, Nandan S. and Hengne, Amol M. and Huang, K-W. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {44182, title = {Single step, phase controlled, large scale synthesis of ferrimagnetic iron oxide polymorph nanoparticles by thermal plasma route and their rheological properties}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {449}, year = {2018}, month = {MAR 1}, pages = {232-242}, type = {Article}, abstract = {
In this paper we report single step large scale synthesis of highly crystalline iron oxide nanoparticles viz. magnetite (Fe3O4) and maghemite (gamma-Fe2O3) via gas phase condensation process, where micron sized iron metal powder was used as a precursor. Selective phases of iron oxide were obtained by variation of gas flow rate of oxygen and hence partial pressure of oxygen inside the plasma reactor. Most of the particles were found to possesses average crystallite size of about 20-30 nm. The DC magnetization curves recorded indicate almost super-paramagnetic nature of the iron oxide magnetic nanoparticles. Further, iron oxide nanoparticles were analyzed using Raman spectroscopy, X-ray photoelectron spectroscopy and Mossbauer spectroscopy. In order to explore the feasibility of these nanoparticles for magnetic damper application, rheological studies have been carried out and compared with commercially available Carbonyl Iron (CI) particles. The nanoparticles obtained by thermal plasma route show improved dispersion which is useful for rheological applications. (C) 2017 Elsevier B.V. All rights reserved.
}, keywords = {Iron oxide, magnetic properties, Nano-crystalline materials, Rheological properties, Thermal plasma}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2017.09.056}, author = {Raut, Suyog A. and Mutadak, Pallavi R. and Kumar, Shiv and Kanhe, Nilesh S. and Huprikar, Sameer and Pol, Harshawardhan V. and Phase, Deodatta M. and Bhoraskar, Sudha V. and Mathe, Vikas L.} } @article {44572, title = {Single-particle tracking to probe the local environment in ice-templated crosslinked colloidal assemblies}, journal = {Langmuir}, volume = {34}, year = {2018}, month = {APR}, pages = {4603{\textendash}4613}, type = {Article}, abstract = {
We use single-particle tracking to investigate colloidal dynamics in hybrid assemblies comprising colloids enmeshed in a crosslinked polymer network. These assemblies are prepared using ice templating and are macroporous monolithic structures. We investigate microstructure-property relations in assemblies that appear chemically identical but show qualitatively different mechanical response. Specifically, we contrast elastic assemblies that can recover from large compressive deformations with plastic assemblies that fail on being compressed. Particle tracking provides insights into the microstructural differences that underlie the different mechanical response of elastic and plastic assemblies. Since colloidal motions in these assemblies are sluggish, particle tracking is especially sensitive to imaging artifacts such as stage drift. We demonstrate that the use of wavelet transforms applied to trajectories of probe particles from fluorescence microscopy eliminates stage drift, allowing a spatial resolution of about 2 nm. In elastic and plastic scaffolds, probe particles are surrounded by other particles{\textemdash}thus, their motion is caged. We present mean square displacement and van Hove distributions for particle motions and demonstrate that plastic assemblies are characterized by significantly larger spatial heterogeneity when compared with the elastic sponges. In elastic assemblies, particle diffusivities are peaked around a mean value, whereas in plastic assemblies, there is a wide distribution of diffusivities with no clear peak. Both elastic and plastic assemblies show a frequency independent solid modulus from particle tracking microrheology. Here too, there is a much wider distribution of modulus values for plastic scaffolds as compared to elastic, in contrast to bulk rheological measurements where both assemblies exhibit a similar response. We interpret our results in terms of the spatial distribution of crosslinks in the polymer mesh in the colloidal assemblies.
}, issn = {7437463}, doi = {0.1021/acs.langmuir.7b04120}, author = {Suresh, Karthika and Sharma, D. K. and Chulliyil, Ramya and Sarode, Ketan Dinkar and Kumar, V. Ravi and Choudhary, Arindam and Kumaraswamy, Guruswamy} } @article {45458, title = {Single-pot reductive rearrangement of furfural to cyclopentanone over silica-supported Pd catalysts}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {AUG}, pages = {9860-9871}, type = {Article}, abstract = {
Direct one-pot hydrogenation of furfural (FFR) to cyclopentanone (CPO) was investigated over different silica-supported Pd catalysts. Among these, 4\% Pd on fumed silica (4\%Pd/f-SiO2) showed remarkable results, achieving almost 98\% furfural (FFR) conversion with similar to 89\% selectivity and 87\% yield to cyclopentanone at 165 degrees C and 500 psig H-2 pressure. More interestingly, the fumed-silica-supported catalyst tuned the selectivity toward the rearrangement product, i.e, cyclopentanone, whereas all of the other supports were found to give ring hydrogenation as well as side chain hydrogenation products due to their parent Bronsted acidity and specific support properties. X-ray diffraction data revealed the presence of different phases of the face-centered cubic lattice of metallic Pd along with lowest crystallite size of 15.6 nm in the case of the silica-supported Pd catalyst. However, Pd particle size was found to be in the range of 5-13 nm with even dispersion over the silica support, confirmed by high-resolution transmission electron microscopy analysis. While studying the effect of reaction parameters, it was observed that lower temperature gave low furfural conversion of 58\% with only 51\% CPO selectivity.. Similarly, higher H-2 pressure lowered CPO selectivity with subsequent increase in 2-methyl furan and ring hydrogenation product 2-methyl furan and 2-methyl tetrahydrofuran. Thus, as per the requirement, the product selectivity can be tuned by varying the type of support and/or the reaction parameters suitably. With the help of several control experiments and the characterization data, a plausible reaction pathway was proposed for the selective formation of cyclopentanone.
}, issn = {2470-1343}, doi = {10.1021/acsomega.8b00980}, author = {Date, Nandan S. and Kondawar, Sharda E. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {44226, title = {Solid state auto-inversion of C-centrochirality: enantioselective total synthesis of furocarbazolones (-)-epi-claulansine D and (-)-claulansine D and pyranocarbazolone (+)-epi-claulansine C}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {JAN}, pages = {382-387}, type = {Article}, abstract = {
Starting from dimethyl (E)-2-{[(1-tert-butoxycarbonyl)-1H-indol-3-yl]methylene}succinate and (R)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carbaldehyde, facile synthesis of (-)-epi-claulansine D was accomplished via condensation and two intramolecular cyclizations. The (-)-epi-claulansine D in the solid state exists in a metastable form, and after an induction period of 30-90 days, it underwent complete epimerization to exclusively deliver the desired natural product (-)-claulansine D in quantitative yield. The witnessed inversion of C-centrochirality in the solid state is conceptually novel and takes place for relatively higher crystal stability reasons. Base-catalyzed ring expansion of both (+/-)/(-)-epi-claulansine D and (+/-)/(-)-claulansine D resulted in (+/-)/(+)-epi-claulansine C in very good yields.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b02773}, author = {Markad, Shivaji B. and N. P. Argade} } @article {44371, title = {Soluble polybenzimidazoles with intrinsic porosity: synthesis, structure, properties and processability}, journal = {56Journal of Polymer Science Part A-Polymer Chemistry}, volume = {56}, year = {2018}, month = {MAY}, pages = {1046-1057}, type = {Article}, abstract = {We have explored two novel comonomers, namely, 4,16-dicarboxyl[2.2]paracyclophane and 5,5,6,6-tetraamino-3,3,3,3-tetramethyl-1,1-spirobi[indane], for the synthesis of co-polybenzimidazoles (co-PBIs) with intrinsic porosity. Both these monomers possess twisted structures that can lead to awkward macromolecular shapes that cannot pack efficiently. The consequences of introducing these two monomers on the structure and properties of PBIs are reported. The random copolymers synthesized are amorphous and possess glass transition temperatures (T(g)s) greater than 400 degrees C. T-g decreases with increasing comonomer content indicating an increase in fractional free volume. The copolymers have low surface area. TEM and BET measurements show evidence of mesopore formation. The copolymers show significant carbon dioxide adsorption. Single chain molecular dynamics simulation of 24-mer repeat units shows intramolecular void spaces arising as a result of distorted polymer chain with reduced conformational mobility. These studies define a new synthetic strategy for bottoms-up synthesis of PBIs with intrinsic porosity. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 1046-1057}, doi = {10.1002/pola.28979}, author = {Kumar, Vikas and Chatterjee, Shyambo and Sharma, Pragati and Chakrabarty, Suman and Avadhani, Chilukuri V. and Sivaram, Swaminathan} } @article {44633, title = {Solvent and pH-stable poly(2,5-benzimidazole) (ABPBI) based UF membranes: preparation and characterizations}, journal = {Journal of Membrane Science}, volume = {563}, year = {2018}, month = {OCT }, pages = {743-751}, abstract = {
Poly(2,5-benzimidazole), commonly known as ABPBI, is an excellent thermo-chemically stable polymer that is widely evaluated as a proton exchange membrane material in a fuel cell. Its niche intrinsic characteristics could be highly useful in the membrane preparation for various separation applications, especially under harsher environments. To gain insights towards this feasibility, ABPBI based supported membranes were prepared by phase inversion method. Effects of the nonwoven porous support material (polypropylene/polyester), non-solvent (water/0.5 N NaOH) and polymer concentration (6 or 4 wt\%) on the membrane properties (water flux, rejection and porosity) were investigated. The stability of these membranes towards common organic solvents, concentrated acid (25 N H2SO4), base (2.5 N NaOH) and an autoclave condition was analyzed. ABPBI membrane showed a pore collapse after drying. In order to avoid this, the glycerol treatment was not only found to be suitable but also repeatable, without significant deviations in the water flux.
}, keywords = {ABPBI membrane, Pore size distribution, Solvent stable membranes, Ultrafiltration}, issn = {0376-7388}, doi = {10.1016/j.memsci.2018.06.052}, author = {Lohokare, Harshada R. and Chaudhari, Harshal D. and Kharul, Ulhas. K.} } @article {44236, title = {Solvent degradation studies using hydrodynamic cavitation}, journal = {Environmental Progress \& Sustainable Energy}, volume = {37}, year = {2018}, month = {JAN}, pages = {295-304}, type = {Article}, abstract = {
Hydrodynamic cavitation for the degradation of organic solvents was investigated in detail using a newer form of cavitating device-vortex diode. The results were also compared with that using conventional cavitating device orifice. Removal of three different organic solventsacetone, methyl ethyl ketone (MEK), and toluene were studied on a pilot plant with capacity of 1m(3)/h. The effect of different operating parameters such as inlet pressure, initial concentration, and reactor type on the degradation rate of solvent was investigated in detail. The results revealed that efficiency of solvent removal varies substantially with the change in physical operating conditions and nature of the solvent. It was found that up to 80\% degradation could be achieved for toluene (cavitational yield 32.2 x 10(-3) mg/J), substantially higher than that for acetone and MEK indicating the effect of molecular weight/structure in the degradation process. Further, the results clearly indicated chemical oxidation as a predominant mechanism for degradation and not physical destruction. Vortex diode that works on the principle of vortex generation for cavitation, was found to be far superior over conventional cavitating device-orifice- approximate to up to eight times higher cavitational yield could be obtained for toluene as compared to orifice. The results of this study provide newer insight into solvent removal using hydrodynamic cavitation and would have bearing on the treatment of solvent containing wastewaters. (C) 2017 American Institute of Chemical Engineers
}, keywords = {Effluent treatment, industry, pollution, Vortex diode, wastewater}, issn = {1944-7442}, doi = {10.1002/ep.12674}, author = {Suryawanshi, Pravin G. and Bhandari, Vinay M. and Sorokhaibam, Laxmi Gayatri and Ruparelia, Jayesh P. and Ranade, Vivek V.} } @article {45513, title = {Solvent-less solid state synthesis of dispersible metal and semiconducting metal sulfide nanocrystals}, journal = {ACS sustainable chem. eng}, volume = {6}, year = {2018}, month = {JUL}, pages = {12006{\textendash}12016}, type = {Article }, abstract = {Monolayer protected metal and metal sulfide nanocrystals (NCs) have mainly two constituents; the inorganic metal or metal chalcogenide complex as core and organic molecule as shell. Noticing that metal thiolates have these ingredients inbuilt in their structure, we investigated them as possible precursors for the preparation of monolayer protected metal and metal sulfide NCs via solid state grinding method. Accordingly silver and gold NCs have been prepared using a solvent less green approach, by the simple and convenient solid state grinding of the corresponding metal thiolate with sodium borohydride. Similarly, a large variety of uniform-sized semiconducting NCs of metal sulfides including PbS, CdS, ZnS, MnS, Ag2S, and CuS could also be synthesized by the same solid state route by grinding the metal thiolates with octyl dithiocarbamic acid (C8DTCA) and in some cases C8DTCA plus small amount of oleylamine as sulfur source. Interestingly, this simple technique could be used to prepare sub-3 nm NCs like Ag2S, PbS, and CuS which are otherwise difficult to prepare by the conventional high temperature solution routes also. Most gratifyingly, all these NCs, though were prepared by a solvent less grinding method, could be easily dispersed in nonpolar solvents as the preparation method ensued the formation of organic molecule capped NCs.}, doi = { 10.1021/acssuschemeng.8b02292}, author = {Bera, Abhijit and Busupalli, B. and Bhagavatula L. V. Prasad} } @article {45402, title = {Spatial-temporal spectroscopy characterizations and electronic structure of methylammonium perovskites}, journal = {MRS Communications}, volume = {8}, year = {2018}, month = {SEP}, pages = {961-969}, type = {Article}, abstract = {
Using time-resolved laser-scanning confocal microscopy and ultrafast optical pump/THz probe spectroscopy, we measure photoluminescence (PL) and THz-conductivity in perovskite micro-crystals and films. PL quenching and lifetime variations occur from local heterogeneity. Ultrafast THz-spectra measure sharp quantum transitions from excitonic Rydberg states, providing weakly bound excitons with a binding energy of similar to 13.5 meV at low temperatures. Ab-initio electronic structure calculations give a direct band gap of 1.64 eV, a dielectric constant of similar to 18, heavy electrons, and light holes, resulting in weakly bound excitons, consistent with the binding energies from the experiment. The complementary spectroscopy and simulations reveal fundamental insights into perovskite light-matter interactions.
}, doi = {10.1557/mrc.2018.114}, author = {Liu, Zhaoyu and Bhamu, K. C. and Luo, Liang and Shah, Satvik and Park, Joong-Mok and Cheng, Di and Long, Men and Biswas, Rana and Fungara, F. and Shiner, Ruth and Shiner, Joseph and Vela, Javier and Wang, Jigang} } @article {44618, title = {Specific stereoisomeric conformations determine the drug potency of cladosporin scaffold against malarial parasite}, journal = {Journal of Medicinal Chemistry}, volume = {61}, year = {2018}, month = {JUL}, pages = {5664-5678}, abstract = {
The dependence of drug potency on diastereomeric configurations is a key facet. Using a novel general divergent synthetic route for a three-chiral center antimalarial natural product cladosporin, we built its complete library of stereoisomers (cladologs) and assessed their inhibitory potential using parasite-, enzyme-, and structure-based assays. We show that potency is manifest via tetrahyropyran ring conformations that are housed in the ribose binding pocket of parasite lysyl tRNA synthetase (KRS). Strikingly, drug potency between top and worst enantiomers varied 500-fold, and structures of KRS-cladolog complexes reveal that alterations at C3 and C10 are detrimental to drug potency whereas changes at C3 are sensed by rotameric flipping of glutamate 332. Given that scores of antimalarial and anti-infective drugs contain chiral centers, this work provides a new foundation for focusing on inhibitor stereochemistry as a facet of antimicrobial drug development.
}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.8b00565}, author = {Das, Pronay and Babbar, Palak and Malhotra, Nipun and Sharma, Manmohan and Jachak, Goraknath R. and Gonnade, Rajesh G. and Shanmugam, Dhanasekaran and Harlos, Karl and Yogavel, Manickam and Sharma, Amit and Reddy, D. Srinivasa} } @article {45378, title = {Specificity of amino acid-aluminum cluster interaction and subsequent oxygen activation by the above complex}, journal = {Journal of Physical Chemistry C }, volume = {122}, year = {2018}, month = {DEC}, pages = {28310-28323}, type = {Article}, abstract = {Amino acid aluminum cluster complex has been shown to be a promising oxygen molecule activator and has the potential to dissociate O-O bond on the cluster surface. The study of the complex also reveals specificity of amino acid to aluminum cluster in the above complex, which can be used in the detection of amino acid. The results have been obtained by the density functional theory at the B3LYP/6-311++g(d,p) level of calculation.}, issn = { 1932-7447}, doi = { 10.1021/acs.jpcc.8b08396}, author = {Samanta, Bipasa and Sengupta, Turbasu and Pal, Sourav} } @article {45369, title = { Spin state engineered ZnxCo3-xO4 as an efficient oxygen evolution electrocatalyst }, journal = {Physical Chemistry Chemuical Physics}, volume = {20}, year = {2018}, month = {DEC}, pages = {29452-29461}, type = {Article }, abstract = {Oxygen evolution is the key step in the oxidation of water in electrolyzers and photoelectrochemical cells for the production of hydrogen. Developing a non-precious metal oxide catalyst with good electrocatalytic activity for the oxygen evolution reaction (OER) is very challenging. In this work, nanostructured ZnxCo3-xO4 has been shown as an efficient catalyst with a low overpotential for the OER in 0.1 M KOH solution. Substitution of Co2+ in the spinel oxide Co3O4 with Zn2+ creates a higher number of high-spin Co3+, which is found to be directly correlated with the OER activity of ZnxCo3-xO4. Zn0.8Co2.2O4 (x = 0.8) with the optimum amount of Co2+/Co3+ and high-spin Co3+ content showed a very low overpotential of approximate to 250 mV, at 10 mA cm(-2), with a turnover frequency of approximate to 3 x 10(-3) s(-1) for the OER. The high Faradaic efficiency along with the stability of Zn0.8Co2.2O4 and electrocatalytic activity comparable with that of precious metal oxides indicate that this composition is a promising catalyst for water oxidation.}, issn = {1463-9076}, doi = {10.1039/c8cp06641h}, author = {Ramsundar, Rani Mohan and Pillai, Vijayamohanan Kunjukrishna and Joy, Pattayil Alias} } @article {44568, title = {Spinel-type mixed oxides for stable and selective partial oxidation of benzyl alcohol}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {APR }, pages = {3751-3761}, type = {Article}, abstract = {
Benzaldehyde is an important chemical intermediate, which need to be prepared through an eco-friendly process. Manganese oxides are active as catalysts for its preparation through partial oxidation of benzyl alcohol. In this study, Cu, Co and Mn containing spinel based mixed oxides (CuxMn3-xO4) were prepared and tested for partial oxidation of benzyl alcohol to get benzaldehyde with high selectivity. The catalytic activity strongly depended on chemical composition, acid-base properties and oxygen uptake. The influence of chemical composition, reaction temperature, oxygen partial pressure and the weight hourly space velocity (WHSV) were investigated to optimize benzaldehyde yield and to stabilize the catalyst activity. A high benzaldehyde selectivity of 98\%, accompanied with benzyl alcohol conversion of 84.5\% was obtained over Cu0.25Mn2.75O4 catalyst at 300 {\textdegree}C. It was evident from temperature programmed desorption (TPD) of CO2 that this catalyst was found to have optimum basicity and high oxygen uptake, thus imparting high activity and stability. Activity and catalyst life could be attributed to appropriate acid-base properties. Supporting Information
}, issn = {23656549}, doi = {10.1002/slct.201800321}, author = {Gurrala, Lakshmiprasad and Nagpure, Atul S. and Gurav, Hanmant R. and Chilukur, Satyanarayana} } @article {45418, title = {Spiro [fluorene-9,9 {\textquoteright}-xanthene]-containing copolymers of intrinsic microporosity: synthesis, characterization and gas permeation properties}, journal = {Reactive \& Functional Polymers}, volume = {133}, year = {2018}, month = {2018}, pages = {153-160}, type = {Article}, abstract = {In the present study, a new bis(catechol) containing spiro[fluorene-9,9{\textquoteright}-xanthene], namely, 4,4{\textquoteright}-(spiro(fluorene9,9{\textquoteright}-xanthene]-2{\textquoteright},7{\textquoteright}-diyl)bis(benzene-1,2-diol) (THSFX) was designed and synthesized. Polycondensation reactions of THSFX and varying compositions of THSFX and 5,5{\textquoteright},6,6{\textquoteright}-tetrahydroxy-3,3,3{\textquoteright},3{\textquoteright}-tetramethyl-1,1{\textquoteright}-spirobisindane (TTSBI) were carried out with 2,3,5,6-tetrafluoroterephthalonitrile (TFTPN) to obtain a homopolymer and copolymers, respectively. The organo-soluble polymers exhibited reasonably high molecular weights (23300-34,100 g/mol) and could be cast into self-standing films from their chloroform solutions. X-Ray diffraction studies indicated that PIMs were amorphous in nature. These polymers exhibited high thermal stability (T-10 = 490-510 degrees C) and possessed intrinsic microporosity with high BET surface area (360-796 m(2)/g). The gas permeation properties of SFX-PIM-25 and SFX-PIM-33 were evaluated and they exhibited high gas permeability (CO2 = 3595-4034 Barrer). The gas permeability data of SFX-PIM-25 and SFX-PIM-33 was located close to 1991 Robson upper bound for CO2/N-2, CO2/CH4 and O-2/N-2 gas pairs}, issn = {1381-5148 }, doi = {10.1016/j.reactfunctpolym.2018.10.008}, author = {Shrimant, Bharat and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article {44231, title = {Spreading dynamics of superposed liquid drops on a spinning disk}, journal = {Physics of Fluids}, volume = {30}, year = {2018}, month = {JAN}, pages = {012110}, type = {Article}, abstract = {
We have experimentally studied simultaneous spreading of superposed drops of two Newtonian liquids on top of a horizontal spinning disk using the flow visualization technique. An inner drop of high surface tension liquid is placed centrally on the disk followed by a drop of outer liquid (lower surface tension) placed exactly above that. The disk is then rotated at a desired speed for a range of volume ratios of two liquids. Such an arrangement of two superposed liquid drops does not affect the spreading behavior of the outer liquid but influences that of the inner liquid significantly. The drop spreads to a larger extent and breaks into more fingers (Nf) as compared to the case where the same liquid is spreading in the absence of outer liquid. The experimentally observed number of fingers is compared with the prediction using available theory for single liquid. It is found that the theory over-predicts the value of Nf for the inner liquid while it is covered by an outer liquid. We provide a theoretical justification for this observation using linear stability analysis. Our analysis demonstrates that for small but finite surface tension ratio of the two liquids, the presence of the outer interface reduces the value of the most unstable wave number which is equivalent to the decrease in the number of fingers observed experimentally. Finally, sustained rotation of the disk leads to the formation of droplets at the tip of the fingers traveling outwards. Published by AIP Publishing.
}, issn = {1070-6631}, doi = {10.1063/1.5002601}, author = {Sahoo, Subhadarshinee and Orpe, Ashish V. and Doshi, Pankaj} } @article {44567, title = {Steering the ester and gamma-valerolactone selectivities in levulinic acid hydrogenation}, journal = {Energy Fuels}, volume = {32 }, year = {2018}, month = {JUN}, pages = {6887{\textendash}6900}, type = {Journal Article}, abstract = {
Both alkyl esters and γ-valerolactone (GVL) derived from levulinic acid (LA) have applications as renewable transportation fuel/fuel additives. Non-noble metal cobalt supported on La2O3 catalyst was developed for efficient cascade LA hydrogenation to GVL via esterification. LA hydrogenation in methanol alone yielded methyl levulinate (MeLA) as a major product along with 43\% of GVL. Interestingly, hydrogenation in water gave almost complete selectivity to GVL; nevertheless, it was associated with significant metal leaching. Suppression of metal leaching and enhancement in selectivity to GVL could be achieved by a methanol/water (95:5) solvent system. XRD analysis of La2O3-supported catalysts evidenced the characteristic peaks of a mixture of La2O3 and La(OH)3 phases. Basicity, as well as acidity, of the catalyst as determined by CO2 and NH3 TPD was due to these La2O3, Co{\textendash}La, and La(OH)3 phases which played an important role in directing the product selectivity in levulinic acid hydrogenation. At the low temperature of 160 {\textdegree}C, almost equal selectivities of MeLA (47\%) and GVL (43\%) were observed, while higher temperature (200 {\textdegree}C) favored further hydrogenation of MeLA to GVL (75\%). Similarly, with an increase in reaction time to 9 h, the GVL selectivity achieved was as high as 80\%. The selectivity to MeLA and GVL in LA hydrogenation over Co/La2O3 catalyst can be altered by suitably adjusting the reaction conditions.
}, doi = {10.1021/acs.energyfuels.8b01263}, author = {Kasar, Gayatri B. and Date, Nandan S. and Bhosale, P. N. and Rode, Chandrashekhar V.} } @conference {45431, title = { Strategies to reduce necking and drawdown defects in polymer melt extrusion film casting process}, booktitle = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, year = {2018}, month = {AUG}, publisher = {AMER CHEMICAL SOC.}, organization = {AMER CHEMICAL SOC.}, address = {Boston, MA}, abstract = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, author = {Rokade, Dhammaraj and Chougale, Sanket and Pol, Harshawardhan} } @article {44186, title = {Streptomyces sp metabolite(s) promotes Bax mediated intrinsic apoptosis and autophagy involving inhibition of mTOR pathway in cervical cancer cell lines}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {FEB}, pages = {2810}, type = {Article}, abstract = {
In cervical cancer, the association between HPV infection and dysregulation of phosphoinositide 3-kinase (PI3K)/protein kinase B (AKT)/mammalian target of rapamycin (mTOR) pathway (PI3K/AKT/mTOR pathway) places mTOR as an attractive therapeutic target. The failure of current treatment modalities in advanced stages of this cancer and drawbacks of already available mTOR inhibitors demand for novel drug candidates. In the present study we identified the presence of a mTOR inhibitor in an active fraction of the ethyl acetate extract of Streptomyces sp OA293. The metabolites(s) in the active fraction completely inhibited mTORC1 and thereby suppressed activation of both of its downstream targets, 4E-BP1 and P70S6k, in cervical cancer cells. In addition, it also stalled Akt activation via inhibition of mTORC2. The mechanism of mTOR inhibition detailed in our study overcomes significant drawbacks of well known mTOR inhibitors such as rapamycin and rapalogs. The active fraction induced autophagy and Bax mediated apoptosis suggesting that mTOR inhibition resulted in programmed cell death of cancer cells. The molecular weight determination of the components in active fraction confirmed the absence of any previously known natural mTOR inhibitor. This is the first report of complete mTOR complex inhibition by a product derived from microbial source.
}, issn = {2045-2322}, doi = {10.1038/s41598-018-21249-5}, author = {Dan, Vipin Mohan and Muralikrishnan, Balaji and Sanawar, Rahul and Vinodh, J. S. and Burkul, Bhushan Bapusaheb and Srinivas, Kalanghad Puthankalam and Lekshmi, Asha and Pradeep, N. S. and Dastager, Syed G. and Santhakumari, B. and Santhoshkumar, Thankayyan R. and Kumar, R. Ajay and Pillai, Madhavan Radhakrishna} } @article {44566, title = {Structural and functional analysis of UGT92G6 suggests an evolutionary link between mono- and disaccharide glycoside-forming transferases}, journal = {Plant and Cell Physiology}, volume = {59}, year = {2018}, month = {APR }, pages = { 862{\textendash}875}, type = {Journal Article}, abstract = {
Glycosylation mediated by UDP-dependent glycosyltransferase (UGT) is one of the most common reactions for the biosynthesis of small molecule glycosides. As glycosides have various biological roles, we characterized UGT genes from grapevine (Vitis vinifera). In silico analysis of VvUGT genes that were highly expressed in leaves identified UGT92G6 which showed sequence similarity to both monosaccharide and disaccharide glucoside-forming transferases. The recombinant UGT92G6 glucosylated phenolics, among them caffeic acid, carvacrol, eugenol and raspberry ketone, and also accepted geranyl glucoside and citronellyl glucoside. Thus, UGT92G6 formed mono- and diglucosides in vitro from distinct compounds. The enzyme specificity constant Vmax/Km ratios indicated that UGT92G6 exhibited the highest specificity towards caffeic acid, producing almost equal amounts of the 3- and 4-O-glucoside. Transient overexpression of UGT92G6 in Nicotiana benthamiana leaves confirmed the production of caffeoyl glucoside; however, the level of geranyl diglucoside was not elevated upon overexpression of UGT92G6, even after co-expression of genes encoding geraniol synthase and geraniol UGT to provide sufficient precursor. Comparative sequence and 3-D structure analysis identified a sequence motif characteristic for monoglucoside-forming UGTs in UGT92G6, suggesting an evolutionary link between mono- and disaccharide glycoside UGTs. Thus, UGT92G6 functions as a mono- and diglucosyltransferase in vitro, but acts as a caffeoyl glucoside UGT in N. benthamiana.
}, issn = {320781}, doi = { 10.1093/pcp/pcy028}, author = {Huang, Fong-Chin and Giri, Ashok and Daniilidis, Melina and Sun, Guangxin and H{\"a}rtl, Katja and Hoffmann, Thomas and Schwab, Wilfried} } @article {44360, title = {Structural and magnetic properties of La2Ni1-xCoxMnO6 compounds}, journal = {Materials Research Bulletin}, volume = {102}, year = {2018}, month = {JUN}, pages = {248-256}, type = {Article}, abstract = {Single phase monoclinic La2Ni1-xMnO6 (x = 0.2, 0.4, 0.8) compounds, henceforth, referred as LNCxMO (x = 0.2, 0.4, 0.8) have been prepared by Sol-gel technique. The structural study and redox titration suggest that the samples are both La and O deficient. The generated atomic models using Rietveld refined structural parameters show octahedral distortion In the double perovskite structure. X-ray photoelectron spectroscopy (XPS) study has been used to determine the predominant valence states of Ni, Mn and Co ions. LNCxMO (x = 0.2, 0.4) are found to be Heisenberg ferromagnets whereas LNC0.8MO is a phase segregated system. In LNC0.4MO and LNO0.8MO, at temperatures above T-c, chi(-1)(T) curve shows the characteristics of Griffiths phase. The study of ac susceptibility and Isothermal remanent magnetization (IRM) discard the possibility of any glassy state at low temperatures. The antiphase boundaries (APBs), antisite disorders (ASDs) and oxygen vacancies play important roles in this system.}, doi = {10.1016/j.materresbull.2018.01.040}, author = {Pramanik, Debabrata and Mukherjee, S. and Dan, Shovan and Nandy, A. and Pradhan, S. K. and Dasgupta, Papri and Poddar, Asok and Mukherjee, Manabendra and Manjunath, B. and Joy, P. A.} } @article {45523, title = {Structural characterization and magnetic properties of undoped and copper-doped cobalt ferrite nanoparticles prepared by the octanoate coprecipitation route at very low dopant concentrations}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {NOV}, pages = {38621-38630}, abstract = {Nanoparticles of undoped and copper-doped cobalt ferrite Co1-xCuxFe2O4 at very low dopant concentrations (x = 0; 0.02; 0.04; 0.06; 0.08) were successfully synthesized by pyrolysis of the corresponding hetero metal octanoate precursors obtained via coprecipitation using the octanoate ligand as precipitating agent. The precursors were then characterized by FTIR, ICP-AES and TG-DTA analyses and the results reveal the formation of a copper-cobalt-iron hydroxooctanoate represented by the formula [Co1-xCuxFe2(C8H15O2)6(OH)2{\textperiodcentered}2H2O]. The decomposition products obtained upon pyrolysis in air at 400 {\textdegree}C for 3 h were characterized by FTIR, XRD, SEM, TEM, XPS and VSM analyses. FTIR and XRD analyses showed the formation of a single phase mixed spinel ferrite while TEM analysis showed that the particles have a spherical shape with a mean size of 20 nm and form spherical agglomerates with sizes reaching 500 nm in some cases as the SEM images show. The chemical states of the metallic species in the samples were revealed by XPS to be Cu2+, Co2+ and Fe3+. These results combined with XRD confirmed the mixed spinel structure, Co1-xCuxFe2O4 in which Cu2+ ions substitute Co2+ ions in tetrahedral sites for x lower than 0.06 and in octahedral sites for x between 0.06 and 0.08. Magnetic parameters such as saturation magnetization (Ms), coercivity (Hc), remanent magnetization (Mr), magnetocrystalline anisotropy constant (K) and reduced magnetization (Mr/Ms), obtained from magnetic hysteresis loops measured at room temperature, are in agreement with this mixed spinel structure and also indicate that these materials are ferromagnetic and could be good candidates for applications in biomedicine and in microwave devices. }, author = {Kamta Tedjieukeng, H.M. and Tsobnang, P.K. and Fomekong, R.L. and Etape, E.P. and Joy, P.A. and Delcorte, A. and Lambi, J.N.} } @article {44564, title = {Structural elucidation of NASICON (Na3Al2P3O12) based glass electrolyte materials: effective influence of boron and gallium}, journal = {RSC Advances}, volume = {8}, year = {2018}, pages = {14422-14433}, type = {Journal Article}, abstract = {
Understanding the conductivity variations induced by compositional changes in sodium super ionic conducting (NASICON) glass materials is highly relevant for applications such as solid electrolytes for sodium (Na) ion batteries. In the research reported in this paper, NASICON-based NCAP glass (Na2.8Ca0.1Al2P3O12) was selected as the parent glass. The present study demonstrates the changes in the Na+ ion conductivity of NCAP bulk glass with the substitution of boron (NCABP: Na2.8Ca0.1Al2B0.5P2.7O12) and gallium (NCAGP: Na2.8Ca0.1Al2Ga0.5P2.7O12) for phosphorus and the resulting structural variations found in the glass network. For a detailed structural analysis of NCAP, NCABP and NCAGP glasses, micro-Raman and magic angle spinning-nuclear magnetic resonance (MAS-NMR) spectroscopic techniques (for 31P, 27Al, 23Na, 11B and 71Ga nuclei) were used. The Raman spectrum revealed that the NCAP glass structure is more analogous to the AlPO4 mesoporous glass structure. The 31P MAS-NMR spectrum illustrated that the NCAP glass structure consists of a high concentration of Q0 (3Al) units, followed by Q0 (2Al) units. The 27Al MAS-NMR spectrum indicates that alumina exists at five different sites, which include AlO4 units surrounded by AlO6 units, Al(OP)4, Al(OP)5, Al(OAl)6 and Al(OP)6, in the NCAP glass structure. The 31P, 27Al and 11B MAS-NMR spectra of the NCABP glass revealed the absence of B{\textendash}O{\textendash}Al linkages and the presence of B3{\textendash}O{\textendash}B4{\textendash}O{\textendash}P4 linkages which further leads to the formation of borate and borophosphate domains. The 71Ga MAS-NMR spectrum suggests that gallium cations in the NCAGP glass compete with the alumina cations and occupy four (GaO4), five (GaO5) and six (GaO6) coordinated sites. The Raman spectrum of NCAGP glass indicates that sodium cations have also been substituted by gallium cations in the NCAP glass structure. From impedance analysis, the dc conductivity of the NCAP glass (\~{}3.13 {\texttimes} 10-8 S cm-1) is slightly decreased with the substitution of gallium (\~{}2.27 {\texttimes} 10-8 S cm-1) but considerably decreased with the substitution of boron (\~{}1.46 {\texttimes} 10-8 S cm-1). The variation in the conductivity values are described based on the structural changes of NCAP glass with the substitution of gallium and boron.
}, issn = {20462069}, doi = {10.1039/C8RA01676C}, author = {Allu, Amarnath R.}, editor = {Balaji, Sathravada} } @article {44561, title = {Structural elucidation of the binary mixtures of [emim][bf4] and [bmim][bf4] in ethyl-substituted solvents by isothermal titration calorimeter.}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUN }, pages = {5792-5800}, type = {Journal Article}, abstract = {In order to address the issue whether both ionic liquids and solvents influence the enthalpy of their solutions, highly accurate excess partial molar enthalpy, urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0001 values have been measured using Isothermal Titration Calorimeter (ITC). Therefore, thermodynamic behavior has been observed in the mixtures containing ionic liquids. It essentially depends on the molecular structure of the constituents of the mixture. The hydrogen bonding between ionic liquids and ethyl-substituted solvents (2-ethoxyethanol, ethylene glycol, diethylamine, ethyl acetate and N,N- diethylacetamide) may lead to strong ion-solvent interactions. In the present study, an effort has been made to quantify various interactions between ionic liquid and solvent, based on the urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0002 values. Linear solvation free relation shows dependence of limiting excess partial molar enthalpies, urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0003 upon the solvent properties. Structural orientation of solvent molecules and ionic liquids also described by the urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0004 values. The ion-ion, ion-solvent interactions have also been investigated in terms of the enthalpic interaction parameters, urn:x-wiley:23656549:media:slct201800976:slct201800976-math-0005 and relative apparent molar enthalpy, φL of ionic liquid-ethyl-substituted solvent systems.}, issn = {23656549}, doi = {10.1002/slct.201800976}, author = {Jain, Preeti}, editor = {Kumar, Anil} } @article {45389, title = { Structural, functional and evolutionary diversity of 4-coumarate-CoA ligase in plants}, journal = {Planta}, volume = {248}, year = {2018}, month = {NOV}, pages = {1063-1078}, type = {Article}, abstract = {Main conclusions The 4-coumarate-CoA ligases (4CL) contribute in channelizing flux of different phenylpropanoid biosynthetic pathways. Expression of 4CL is optimized at developmental stages and in response to environmental triggers such as biotic and abiotic stresses. The enzyme is valuable in metabolic pathway engineering for curcuminoids, resveratrol, biofuel production and nutritional improvement. Vigorous analysis of regulation at functional and expression level is obligatory to attain efficient commercial production of candidate metabolites using 4CL. Phenylpropanoid pathway provides precursors for numerous secondary metabolites in plants. In this pathway, 4-coumarate-CoA ligase (EC 6.2.1.12, 4CL) is the main branch point enzyme which generates activated thioesters. Being the last enzyme of three shared common steps in general phenylpropanoid pathway, it contributes to channelize precursors for different phenylpropanoids. In plants, 4CL enzymes are present in multiple isoforms and encoded by small gene family. It belongs to adenylate-forming enzyme family and catalyzes the reaction that converts hydroxy or methoxy cinnamic acid derivatives to corresponding thioesters. These thioesters are further utilized for biosynthesis of phenylpropanoids, which are known for having numerous nutritional and medicinal applications. In addition, the 4CL enzymes have been characterized from various plants for their role in plant physiology or in biotic and abiotic stresses. Furthermore, specific isoforms are differentially regulated upon exposure to diverse stimuli leading to flux diversion toward the particular metabolite biosynthesis. Evolutionary studies showed that 4CL separately evolved after monocot and dicot segregation. Here, we provide a comprehensive review on 4CL, which includes evolution, function, gene/protein structure, role in metabolite biosynthesis and cellular partition, and their regulation. Based on the available data, we have explored the scope for pathway engineering by utilizing 4CL enzymes.}, issn = { 0032-0935}, doi = { 10.1007/s00425-018-2965-z}, author = {Lavhale, Santosh G. and Kalunke, Raviraj M. and Giri, Ashok P.} } @article {45556, title = {Structural insights into the unique inhibitory mechanism of Kunitz type trypsin inhibitor from Cicer arietinum L.}, journal = {Journal of Biomolecular Structure and Dynamics}, volume = {24}, year = {2018}, month = {NOV}, pages = {1-9}, type = {Article}, abstract = {Kunitz-type trypsin inhibitors bind to the active pocket of trypsin causing its inhibition. Plant Kunitz-type inhibitors are thought to be important in defense, especially against insect pests. From sequence analysis of various Kunitz-type inhibitors from plants, we identified CaTI2 from chickpea as a unique variant lacking the functionally important arginine residue corresponding to the soybean trypsin inhibitor (STI) and having a distinct and unique inhibitory loop organization. To further explore the implications of these sequence variations, we obtained the crystal structure of recombinant CaTI2 at 2.8{\r A} resolution. It is evident from the structure that the variations in the inhibitory loop facilitates non-substrate like binding of CaTI2 to trypsin, while the canonical inhibitor STI binds to trypsin in substrate like manner. Our results establish the unique mechanism of trypsin inhibition by CaTI2, which warrant further research into its substrate spectrum. Abbreviations BApNA Nα-Benzoyl-L-arginine 4-nitroanilide BPT bovine pancreatic trypsin CaTI2 Cicer arietinum L trypsin inhibitor 2 DrTI Delonix regia Trypsin inhibitor EcTI Enterolobium contortisiliquum trypsin inhibitor ETI Erythrina caffra trypsin inhibitor KTI Kunitz type inhibitor STI soybean trypsin inhibitor TKI Tamarindus indica Kunitz inhibitor Communicated By Ramaswamy H. Sarma.}, author = {Bendre, A.D. and Suresh, C.G. and Shanmugam, D. and Ramasamy, S.} } @article {44551, title = {Structure and function of a highly active Bile Salt Hydrolase (BSH) from Enterococcus faecalis and post-translational processing of BSH enzymes}, journal = {Biochim Biophys Acta.}, volume = {1866}, year = {2018}, month = {JAN}, pages = {507-518}, type = {Journal Article}, abstract = {Bile Salt Hydrolase (BSH), a member of Cholylglycine hydrolase family, catalyzes the de-conjugation of bile acids and is evolutionarily related to penicillin V acylase (PVA) that hydrolyses a different substrate such as penicillin V. We report the three-dimensional structure of a BSH enzyme from the Gram-positive bacteria Enterococcus faecalis (EfBSH) which has manifold higher hydrolase activity compared to other known BSHs and displays unique allosteric catalytic property. The structural analysis revealed reduced secondary structure content compared to other known BSH structures, particularly devoid of an anti-parallel β-sheet in the assembly loop and part of a β-strand is converted to increase the length of a substrate binding loop 2. The analysis of the substrate binding pocket showed reduced volume owing to altered loop conformations and increased hydrophobicity contributed by a higher ratio of hydrophobic to hydrophilic groups present. The aromatic residues F18, Y20 and F65 participate in substrate binding. Thus, their mutation affects enzyme activity. Docking and Molecular Dynamics simulation studies showed effective polar complementarity present for the three hydroxyl (-OH) groups of GCA substrate in the binding site contributing to higher substrate specificity and efficient catalysis. These are unique features characteristics of this BSH enzyme and thought to contribute to its higher activity and specificity towards bile salts as well as allosteric effects. Further, mechanism of autocatalytic processing of Cholylglycine Hydrolases by the excision of an N-terminal Pre-peptide was examined by inserting different N-terminal pre-peptides in EfBSH sequence. The results suggest that two serine residues next to nucleophile cysteine are essential for autocalytic processing to remove precursor peptide. Since pre-peptide is absent in EfBSH the mutation of these serines is tolerated. This suggests that an evolution-mediated subordination of the pre-peptide excision site resulted in loss of pre-peptide in EfBSH and other related Cholylglycine hydrolases.}, keywords = {autocatalytic processing, Bile salt hydrolase, molecular dynamics, Mutagenesis, Polar complementarity, X-ray crystallography}, issn = {15709639}, doi = {0.1016/j.bbapap.2018.01.003.}, author = {Chand, D.}, editor = {Panigrahi, P.} } @article {44628, title = {Studies on CL-20/HMX (2:1) cocrystal: a new preparation method and structural and thermokinetic analysis}, journal = {Crystal Growth \& Design}, volume = {18}, year = {2018}, month = {JUL}, pages = {3781-3793}, abstract = {
A new preparation method for CL-20/HMX (2:1) cocrystal has been established at the laboratory level that is amenable for scale up. Solvent evaporation from a saturated solution of the stoichiometric mixture in the presence of a high boiling antisolvent, comparatively a very efficient and cheaper method, yielded pure cocrystals. Cocrystals were well characterized by spectroscopic, thermoanalytical tools, X-ray diffraction, and microscopic techniques. A correlation of percentage of cocrystal formation with evaporation rate has been obtained through quantitative analysis using Raman spectrometry. An evaporation rate of \<1 mL/min consistently produced pure cocrystal confirmed by Raman and powder X-ray diffraction analysis. Thermokinetic analysis suggests the cocrystal to be more stable than CL-20 with an energy of activation of 65 kcal/mol, higher than CL-20 but inferior to HMX. Significant augmentation in the values of k and A over CL-20 justified a faster decomposition rate. Enhanced insensitivity toward friction and impact forces and higher measured velocity of detonation indicate improved performance on incorporation into high explosive formulations.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b00015}, author = {Ghosh, Mrinal and Sikder, Arun K. and Banerjee, Shaibal and Gonnade, Rajesh G.} } @article {45525, title = {Study of photoelectrochemical conductivity mechanism and electrochemical impedance spectroscopy of bulk CuInTe2 {\textendash} Electrolyte interface}, journal = {Surfaces and interfaces}, volume = {12}, year = {2018}, month = {SEP }, pages = {202-212}, type = {Article}, abstract = {CuInTe2 (CIT) thin films were electrochemically deposited in an aqueous electrolyte on fluorine doped tin oxide (FTO) coated glass substrates for potentials ranging from -0.6 V to -0.9 V at pH 4. Films were annealed at 400 {\textdegree}C for 15 min in air ambient. Both as-deposited and annealed layers were characterized by various characterization techniques. The conductivity type of the CIT layers was studied by photoelectrochemical (PEC) response and solid{\textendash}electrolyte interface by impedance spectroscopy. As-deposited samples confirmed amorphous nature of CIT in contrast to that of polycrystalline films obtained upon annealing. Three prominent reflections (1 1 2), (2 2 0)/(2 0 4) and (3 1 2)/(1 1 6) of chalcopyrite CIT were obtained upon annealing. The optical band gap values \~{}0.90 eV and 1.08 eV and \~{}0.88 eV and 1.01 eV were estimated for as-deposited and annealed CIT layers deposited at -0.7 V and -0.8 V respectively. The most prominent A1 mode observed at 123 cm-1 in the Raman spectra of chalcopyrite CIT was shifted towards lower wavelengths due to the development of tensile strain. Very compact, well adhesive and void free globular layers were deposited at pH 4. The indium content was found to be increased with increasing the deposition potential which agrees well with the overpotential deposition of indium. Photoelectrochemical (PEC) study confirms the growth of p-type CIT layers. The negative resistance at higher frequency domain (3 MHz to 10 kHz) from electrochemical impedance spectroscopy (EIS) confirms the power/energy giving nature of CIT/electrolyte interface at higher frequency and diffusion mechanism of ionic species dominate at lower frequency region}, issn = { 2468-0230}, doi = {10.1016/j.surfin.2018.05.012}, author = {Lakhe, M. G. and Rohom, A. B. and Londhe, P. U. and Bhand, G. R. and Chaure, N. B.} } @article {44545, title = {Study the effect of impact angle on slurry erosion wear of four different ductile materials}, journal = {Materials Today: Proceedings}, volume = {5}, year = {2018}, month = {APR }, pages = { 7561-7570}, type = {Journal Article}, abstract = {
The test rig fabricated for the present work has an ability to study the effect of orientation angle of erosion wear. The particles of Indian Standard sand (Quartz) selected as erodent for the present investigation because it is the most widely occurs in natural slurries. Experimental investigations on erosion behavior of ductile materials AISI SS304, AA 6063, Copper and Brass have been carried out using solid-water mixtures of the above erodent. The erosion wear due to solid-liquid mixture of IS Sand and tap water at different impact angles shows typical ductile erosion behavior for the selected materials. The maximum erosion is observed at 22.5{\textdegree} angle for AISI SS 304, 45o for AA 6063, 22.5o for Copper and 30o for Brass. The minimum erosion is observed at 90o orientation angle for all the materials. The eroded specimens were examined under the Scanning Electron Microscope (SEM) at minimum and maximum wear orientation angles. The SEM micrographs of eroded specimens depict the mechanism of material removal.
}, keywords = {AA 6063, AISI SS304, brass, Copper, Quart, SEM, Slurry erosion}, issn = {22147853}, doi = {10.1016/j.matpr.2017.11.428}, author = {Nandre, Bhushan D. and Desale, Girish R.} } @article {44542, title = {Substituent-induced deformed ni{\textendash}porphyrin as an electrocatalyst for the electrochemical conversion of water into dioxygen}, journal = {European Journal of Inorganic Chemistry}, volume = {14}, year = {2018}, month = {APR}, pages = {1549-1555}, type = {Article}, abstract = {
The electrochemical water oxidation ability of complexes 5,15-diphenylporphinatonickel(II) (A) and 5,15-bis(3,5-di-tert-butylphenyl)porphinatonickel(II) (B) in the oxygen evolution reaction (OER) have been investigated in an alkaline medium. Complex B was found to be kinetically and thermodynamically more active than complex A. The overpotential and Tafel slope of complex B are lower than those of complex A by 30 mV and around 45 mV/decade, respectively, which supports the higher activity of B. Moreover, stability tests endorse the sustainability of both samples under alkaline conditions. It has been found that the 3,5-di-tert-butylphenyl substituent in B plays a decisive role in achieving a better OER onset potential and current than that obtained with A, which is a result of the modulation of the structural parameters of B. Furthermore, the measured OER activities of A and B have been correlated with their molecular arrangement as well as differences in their bonding characteristics and dipole moments. For further insight, the obtained results have been confirmed by a theoretical study.
}, issn = {14341948}, doi = {10.1002/ejic.201701427}, author = {Krishna, J. V. S. and Krishna, Narra Vamsi and Singh, Santosh K. and Shaw, Pankaj K. and Dhavale, Vishal M. and Vardhaman, Anil Kumar and Giribabu, Lingamallu} } @article {44536, title = {Subtle interaction between Ag and O 2 : a near ambient pressure UV photoelectron spectroscopy (NAP-UPS) investigations}, journal = {Journal of Chemical Sciences}, volume = {130}, year = {2018}, month = {MAR}, pages = {30}, type = {Journal Article}, abstract = {The Ag-O2 interaction, which is at the center-stage of Ag-catalyzed partial oxidation reactions, is studied with NAP-UPS up to 0.2 mbar O2 pressure between 295 and 550 K. Three temperature regimes were identified for distinct Ag-O2 interaction, which are (a) 295{\textendash}390 K, where mainly dissociative chemisorption of O2 happens, (b) 390{\textendash}450 K, where diffusion of O-atoms into the sub-surfaces of Ag is prominent, and (c) >450 K, where metastable oxide forms on polycrystalline Ag surfaces. The work function (WF) of Ag changed from 4.95 (<=390 K) to 5.30 eV (390{\textendash}450 K), and then to 5.7 eV (>=450 K) at 0.1 mbar O2 pressure. Oxygen population in the sub-surfaces imparts crucial modifications to Ag at 390{\textendash}450 K; it makes the surface to be electron-deficient that relates to the change in the WF of Ag and facilitates the formation of space charge layer on Ag surface. Oxygen adsorbed on such modified Ag-surfaces is electrophilic in nature, and this appears at a higher binding energy in core level XPS than the chemisorbed oxygen on metallic Ag. This is supported by angle-dependent NAP-XPS studies. The subsurface population of oxygen in Ag no longer persists at >410 K when the O2 supply is removed. A high ratio of antibonding/bonding O 2p bands suggests the unique silver-oxygen interaction under the measurement conditions.}, keywords = {Electronic Structure, epoxidation, heterogeneous catalysis, Surface Science}, issn = {9743626}, doi = {10.1007/s12039-018-1434-3}, author = {Ghosalya, Manoj Kumar}, editor = {Reddy, Kasala Prabhakar} } @article {44161, title = {Sucrose capped gold nanoparticles as a plasmonic chemical sensor based on non-covalent interactions: application for selective detection of vitamins B-1 and B-6 in brown and white rice food samples}, journal = {Food Chemistry}, volume = {250}, year = {2018}, month = {JUN}, pages = {14-21}, type = {Article}, abstract = {
We report simple and selective method for detection of vitamins B-1 and B-6 in brown and white rice samples using localized surface plasmon resonance (LSPR) of sucrose capped gold nanoparticles (AuNPs) as a chemical sensor colorimetrically. Here, detection is based on the color change of AuNPs from pink to blue followed by a red shift of LSPR absorption band in UV-vis region with the addition of vitamins B-1 and B-6 into the NPs solution. A good linear range was observed in the range of 25-1000 ngmL(-1) with detection limit of 8 ngmL(-1) for B-1 and 50-1000 ngmL(-1) with detection limit of 15 ngmL(-1) for vitamins B-6. The employment of AuNPs for detection of B-1 and B-6 vitamins in rice food samples showed remarkable abilities in terms of the simplicity, low cost, stability, reproducibility and sensitivity.
}, doi = {10.1016/j.foodchem.2018.01.002}, author = {Shrivas, Kamlesh and Nirmalkar, Nidhi and Thakur, Santosh Singh and Deb, Manas Kanti and Shinde, Sandip S. and Shankar, Ravi} } @article {44188, title = {Superior HIV-1 TAR binders with conformationally constrained R52 arginine mimics in the Tat(48-57) peptide}, journal = {Chemmedchem}, volume = {13}, year = {2018}, month = {FEB }, pages = {220-226}, type = {Article}, abstract = {
We report a 100-fold increase in binding affinity of the Tat(48-57) peptide to HIV-1 transcriptional activator-responsive element (TAR) RNA by replacing Arg52, an essential and critical residue for Tat{\textquoteright}s specific binding, with (2S,4S)-4-guanidinoproline. The resulting Tat1M peptide is a far superior binder than Tat1M, a peptide containing another conformationally constrained arginine mimic, (2S,4S)-4-amino-N-(3-guanidinopropyl)proline, or even the control Tat peptide (CtrlTat) itself. Our observations are supported by circular dichroism (CD), isothermal titration calorimetry (ITC), gel electrophoresis and UV spectroscopy studies. Molecular dynamics simulations suggest increased interactions between the more compact Tat1M and TAR RNA, relative to CtrlTat. The CD signature of the RNA itself remains largely unchanged upon binding of the peptides. The Tat mimetics further have better cell uptake properties than the control Tat peptide, thus increasing their potential application as specific TAR-binding molecules.
}, keywords = {antiviral agents, arginine mimics, RNA, Tat peptide analogues, Tat-TAR binding}, issn = {1860-7179}, doi = {10.1002/cmdc.201700653}, author = {Bhosle, Govind S. and Kharche, Shalmali and Kumar, Santosh and Sengupta, Durba and Maiti, Souvik and Fernandes, Moneesha} } @article {44609, title = {Superprotonic conductivity in flexible porous covalent organic framework membranes}, journal = {Angewandte Chemie}, volume = {57}, year = {2018}, month = {AUG}, pages = {10894-10898}, type = {Article}, abstract = {
Poor mechanical stability of the polymer electrolyte membranes (PEMs) remains one of the bottlenecks towards improving the performance of the proton exchange membrane (PEM) fuel cells. The present work proposes a unique way to utilize crystalline covalent organic frameworks (COFs) as a self-standing, highly flexible membrane to further boost the mechanical stability of the material without compromising its innate structural characteristics. The as-synthesized p-toluene sulfonic acid loaded covalent organic framework membranes (COFMs) showing the highest proton conductivity amongst all crystalline porous organic polymeric materials reported till date, as high as 7.8 x 10-2 S cm-1, have been further tested under real PEM operating conditions to ascertain their practical utilization as proton exchange membranes. Attainment of 24 mW cm-2 power density, which is the highest among COFs and MOFs, highlights the possibilityof using a COF membrane over the other state-of-the-art crystalline porous polymeric materials reported to date.
}, doi = {10.1002/ange.201804753}, author = {Banerjee, Rahul and Sasmal, Himadri Sekhar and Harshitha, B. A. and Bhange, Siddheshwar and Karak, Suvendu and Halder, Arjun and Kurungot, Sreekumar} } @article {44533, title = {Supramolecular complexes of poly(3-Hexylthiophene)-block (and random)-poly[3-(2-(6-carboxyhexyl)methyl)thiophene] copolymers with perylene bisimide}, journal = {Journal of Polymer Science Part A: Polymer Chemistry}, volume = {56}, year = {2018}, month = {MAY}, pages = {1574-1583}, type = {Journal Article}, abstract = {Block and random copolymers of poly(3-hexylthiophene) and poly[3-(2-(6-carboxyhexyl)methyl)thiophene] with side-chain carboxylic functionality ((P3HT-b-P3COOH) and (P3HT-r-P3COOH) were developed by Grignard Metathesis (GRIM) polymerization. The carboxylic functionality was introduced in the side chain via the oxazoline route. Both the block and random polythiophene copolymers were complexed with pyridine functionalized perylene bisimide to obtain supramolecular block and random polymer complexes. The complex formation in both systems was confirmed by 1H NMR, WXRD and SAXS studies. An expansion of d spacing upon complex formation was observed in both the block and random copolymer, which could be traced by WXRD. Hole and electron mobilities measured for the supramolecular complexes indicated values which were higher by an order of magnitude for the supramolecular block complex (μh ≈ 2.9 {\texttimes} 10-4 cm2/Vs; μe ≈ 3.1 {\texttimes} 10-6 cm2/Vs) as compared to the random (μh ≈ 1.4 {\texttimes} 10-5 cm2/Vs; μe ≈ 4.7 {\texttimes} 10-7 cm2/Vs) copolymer. These results are indicative of the higher degree of disorder prevailing in the films of random copolymer system compared to the block copolymer.}, keywords = {block and random polythiophene, perylene bisi-mide, Self-assembly}, issn = {0887624X}, doi = {10.1002/pola.29042}, author = {Shinde, Shekhar}, editor = {Vijayan, Raaghesh} } @article {44604, title = {Supramolecular reassembly of self-exfoliated ionic covalent organic nanosheets for label-free detection of double-stranded DNA}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {JUL }, pages = {8443-8447}, abstract = {
Ionic covalent organic nanosheets (iCONs), a member of the two-dimensional (2D) nanomaterials family, offer a unique functional platform for a wide range of applications. Herein, we explore the potential of an ethidium bromide (EB)-based covalent organic framework (EB-TFP) that self-exfoliates in water resulting in 2D ionic covalent organic nanosheets (EB-TFP-iCONs) for the selective detection of double-stranded DNA (dsDNA). In an aqueous medium, the self-exfoliated EB-TFP-iCONs reassemble in the presence of dsDNA resulting in hybrid EB-TFP-iCONs-DNA crystalline nanosheets with enhanced fluorescence at 600 nm. Detailed steady-state and time-resolved emission studies revealed that the reassembly phenomenon was highly selective for dsDNA when compared to single-stranded DNA (ssDNA), which allowed us to use the EB-TFP-iCONs as a 2D fluorescent platform for the label-free detection of complementary DNA strands.
}, keywords = {Covalent organic framework, DNA, ionic assembly, ionic covalent organic nanosheets, label-free detection}, issn = {1433-7851}, doi = {10.1002/anie.201801352}, author = {Mal, Arindam and Mishra, Rakesh K. and Praveen, Vakayil K. and Khayum, M. Abdul and Banerjee, Rahul and Ajayaghosh, Ayyappanpillai} } @article {44529, title = {Surface colonized silver nano particles over chitosan poly-electrolyte micro-spheres and their multi-functional behavior}, journal = {Materials Research Express}, volume = {5}, year = {2018}, month = {FEB }, pages = { 025032}, type = {Journal Article}, abstract = {hitosan/tripolyphosphate polyelectrolyte (TPP) microspheres, decorated and surface functionalized with silver nanoparticles (NPs) of average diameter of 15 nm, were synthesized following a simple two-step procedure. These Ag NP-functionalized polyelectrolyte microspheres (Ag-CSPMs) are found to be biocompatible and enhancing the reactive oxygen species in curcumin with excellent anti-bacterial activity for selected Gram-positive and negative bacterial strains, making them much attractive relative to bare surface counterparts; the well-stabilized silver NPs do not form any agglomerations on the surface of the chitosan microspheres. They also show excellent cytotoxic behavior towards MCF7 cell lines, showing a half-maximal inhibitory concentration (IC50) of 32 μg ml-1. Therefore, Ag-CSPMs exhibit multi-functional ability having potential towards theranostics applications.}, keywords = {antibacterial properties, Chitosan, Cytotoxicity, reactive oxygen species, silver nanoparticles, theranostics}, issn = {20531591}, doi = { 10.1088/2053-1591/aaa3c6}, author = {Prakash, B.}, editor = {Asha, S.} } @article {44525, title = {Surface functionalized fluorescent PS nanobead based dual-distinct solid state sensor for detection of volatile organic compounds}, journal = {Analytical Chemistry}, volume = {90}, year = {2018}, month = {MAY}, pages = {7434{\textendash}7441}, type = {Journal Article}, abstract = {Solid state emitting, distinctly dual vapor sensors with high quantum yield was developed using polystyrene incorporating two fluorophores following a miniemulsion polymerization method. Selective functionalization with carboxy and amine functionality was used to decorate the resulting polystyrene nanobeads having both perylenebisimide (PBI) and oligo (p-phenylenevinylene) (OPV) fluorophores. These nanobeads with a size of 70{\textendash}180 nm showed near white emission under UV light. On contact with vapors of specific electron deficient nitroaromatics OPV emission got selectively quenched to show yellow emission from the nanobeads under UV radiation. Exposure to amine vapor quashed PBI emission selectively resulting in blue emission under UV lamp. Such a vast range of color alteration from white to either blue or yellow from the same sensor makes it a true dual analyte sensor with two distinct outputs. Control of surface functionality (-COOH, -NH2, and neutral) on the nanobeads played a pivotal role in boosting the sensing efficiency; introduction of functionality on the surface facilitated analyte-sensor interaction through hydrogen bonding, prompting their fast responsiveness. Real time, potential device based application was demonstrated with free-standing films which was capable of efficient detection with fast analyte exchange from dilute solutions. Recyclability of the film sensor was demonstrated with 8 cycles of reuse.}, issn = {32700}, doi = {10.1021/acs.analchem.8b00936}, author = {Makkad, Sarabjot Kaur}, editor = {Asha, SK} } @article {44519, title = {Surface modification of polymers for tissue engineering applications: arginine acts as a sticky protein equivalent for viable cell accommodation}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {APR }, pages = {4242{\textendash}4251}, type = {Journal Article}, abstract = {
Hydrophobic polymers, for their favorable mechanical properties, are a popular choice as permanent bioimplants. These materials remain absolutely bioinert for years, but throw up challenges when it comes to fast integration with healthy tissue. Addressing this, herein, we present a surface-modification technique of converting the hydrophobic surface of a polymeric film into a hydrophilic one using a layer-by-layer assembly process involving gold nanoparticles and small molecules like amino acids. These films showed much improved animal cell (murine fibroblast) adherence properties compared to commercially available tissue culture plates. Moreover, arginine-modified films exhibited a nearly equivalent cell viability compared to the films modified with the natural extracellular matrix component fibronectin. The surface hydrophilicity and roughness of our novel film were characterized by contact angle measurement and atomic force microscopy. Cell counting, fluorescence microscopy, cell viability, and collagen estimation assay were employed to demonstrate that our film favored a much improved cell adherence, and accommodation in comparison to the commercially available tissue culture plates.
}, keywords = {Cell and Molecular biology, Extracellular matrix proteins, Nanoparticles, Physical and chemical properties, Polymers, Proteins, Surface structure, Surface treatment, Thin films, tissue engineering}, issn = {24701343}, doi = { 10.1021/acsomega.8b00215}, author = {Sengupta, Poulomi}, editor = {Prasad, Bhagavatula L. V.} } @article {44518, title = {Sustainability assessment of brick work for low-cost housing: a comparison between waste based bricks and burnt clay bricks}, journal = {Sustainable Cities and Society}, volume = {37}, year = {2018}, month = {FEB }, pages = {396-406}, type = {Journal Article}, abstract = {Manufacturing of bricks, using clay or fly ash, is one of the major contributors to greenhouse gas emissions as their manufacturing involves utilization of coal and cement. To overcome this limitation, alternative construction materials are developed by author using industrial and agro wastes like cotton mill waste, recycled paper mill waste, and rice husk ash. This work aims at performing a sustainability assessment of burnt clay bricks and bricks made of industrial and agro wastes used for brickwork in a low-cost house. The criteria considered for the assessment are economic, environmental, social, and technical aspects for manufacture of bricks and use of different bricks for brickwork. For the evaluation of environmental criterion, a life cycle assessment (LCA) tool is used. Overall sustainability index (SI) is calculated for alternatives based on the various criteria using MIVES approach. The relative SIs of clay and fly ash bricks, were 0.25 and 0.26, respectively. Overall, bricks made of industrial and agro wastes are found more sustainable with the highest SI for cotton waste bricks (0.94). Sensitivity analysis also confirmed that brickwork from waste based bricks is more sustainable compared to brickwork made from clay brick or fly ash brick.}, keywords = {Life cycle assessment, Low cost housing, Multicriteria decision, Sustainability index, Sustainable construction material}, issn = {22106707}, doi = {10.1016/j.scs.2017.11.025}, author = {Joglekar, S. N.}, editor = {Kharkar, R. A.} } @article {44358, title = {Syntheses and single crystal X-ray diffraction analysis of five isostructural 2D MOCCs}, journal = {Polyhedron}, volume = {147}, year = {2018}, month = {JUN}, pages = {49-54}, type = {Article}, abstract = {Five two-dimensional metal-organic coordination compounds (MOCCs) have been solvothermally synthesized by the combination of 2-aminonicotinic acid (ANA) and transition metal ions, viz. Co(II), Ni (II), Cu(Il), Zn(II) and Cd(II), in water-ethanol mixed solvent. They are formulated as [CoC6H5N2O2)(2)], (Co-ANA); [Ni(C6H5N2O2)(2)], (Ni-ANA) [Cu(C6H5N2O2)(2)], (Cu-ANA), [Zn(C6H5N2O2)(2)], (Zn-ANA) and [Cd(C6H5N2O2)(2)], (Cd-ANA). Single crystal X-ray diffraction studies for the complexes Co-ANA, Ni-ANA and Cd-ANA have also been carried out. These three complexes crystallize in the tetragonal crystal system with the space group P4(1)2(1)2. The metal ions in all these complexes have an octahedral coordination environment. The six coordinations are satisfied by two pyridine N-atoms from two different ANA ligands and four oxygen atoms from two chelating carboxylate groups of another two ANA ligands. The topological motif of the coordination network is defined as 2-periodic net or square lattice (sql). These complexes were further characterized by elemental, FT-IR spectral, thermal and powder X-ray diffraction analyses. (C) 2018 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.poly.2018.02.031}, author = {Singh, Sandeep K. and Srivastava, Krishna and Banerjee, Rahul and Prasad, Jagdish} } @article {45366, title = {Synthesis and anticancer activity of conformationally constrained Smac mimetics containing pseudo beta turns}, journal = {Tetrahedron Letters }, volume = {59}, year = {2018}, month = {SEP}, pages = {3473-3476}, type = {Article}, abstract = {Herein, we report synthesis and in vitro anticancer activity of conformationally constrained Smac mimetics containing reverse turn inducing motifs "Ant-Pro" and "sAnt-Pro". The synthesis of Smac analogs with diverse hydrophobic groups at the C-terminus was carried out using solution phase peptide synthesis. The synthesis of Ant-Pro containing analogs 3a-j was carried out by ring opening of benzoxazinones 7a-c, whereas, their sulfonamide counterparts 4a-h were synthesized by using routine acid-amine coupling reaction. In vitro anticancer studies against breast cancer cell line MDA-MB-231 revealed that some of the new analogs had better anticancer activity than the standard AVPI Smac tetrapeptide. (C) 2018 Published by Elsevier Ltd.}, doi = {10.1016/j.tetlet.2018.08.016}, author = {Baravkar, Sachin B. and Wagh, Mahendra A. and Paul, Debasish and Santra, Manas and Sanjayan, Gangadhar J.} } @article {45549, title = {Synthesis and anticancer studies of michael adducts and heck arylation products of sesquiterpene lactones, zaluzanin D and zaluzanin C from vernonia arborea}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {NOV}, pages = {38289-38304}, type = {Article}, abstract = {Sesquiterpene lactones containing α-methylene-γ-lactones, zaluzanin D 1 and zaluzanin C 2 were isolated from the leaves of Vernonia arborea. Several diverse Michael adducts (3{\textendash}22) and Heck arylation analogs (23{\textendash}34) of 1 have been synthesized by reacting with various amines and aryl iodides, respectively and were assayed for their in vitro anticancer activities against human breast cancer cell lines MCF7 and MDA-MB-231. Among all the synthesized analogs, Michael adducts 9 and 10 showed better anticancer activities as compared to 1. However, among these compounds, only 10 has minimal cytotoxic effect on normal breast epithelial MCF10A cells. Our detailed mechanistic studies reveal that compounds 9 and 10 execute their antiproliferative activity through induction of apoptosis and thereby inhibit the cancer cells proliferation and compound 10 could be a lead compound for designing potential anti-cancer compound.}, doi = {10.1039/c8ra06238b}, author = {Valkute, T.R. and Aratikatla, E.K. and Gupta, N.A. and Ganga, S. and Santra, M.K. and Bhattacharya, A.K.} } @article {45543, title = {Synthesis and antitumor activity evaluation of 2-aminothiazoles appended 5-methylisoxazoline and pyridine-piperazine hybrid molecules}, journal = {Letters in Organic Chemistry}, volume = {15}, year = {2018}, month = {NOV}, pages = {1070-1077}, type = {Article}, abstract = {A highly efficient and milder protocol for the syntheses of novel series of 2-aminothiazoles bearing 5-methylisoxazoline and pyridine-piperazine hybrid molecules has been developed. The target compounds 13a-e were screened for their in vitro cytotoxicity activity against various tumor cell lines including MCF-7 (human breast adenocarcinoma), HCT-116 (colorectal carcinoma), Jurkat (human T-cell leukemia) and THP-1 (human acute monocytic leukemia). The bioactive assay showed that the most of the new compounds exhibited promising results in comparison with the parental Sunitinib. The synthesized compounds could well be used in the future as lead anticancer drugs in drug development studies. The synthesized compounds were fully characterized by IR,1 H NMR,13 C NMR, elemental analysis and mass spectral data. }, doi = {10.2174/1570178615666180430122641}, author = {Suresh, G. and Nadh, R.V. and Srinivasu, N. and Yennity, D.} } @article {44197, title = {Synthesis and biological evaluation of new 2-aryl-4-((4-aryl-1H-1,2,3-triazol-1-yl)methyl)thiazole derivatives}, journal = {Research on Chemical Intermediates}, volume = {44}, year = {2018}, month = {FEB}, pages = {1247-1260}, type = {Article}, abstract = {
A series of 2-aryl-4-((4-aryl-1H-1,2,3-triazol-1-yl)methyl)thiazole derivatives (8a-p) have been synthesized. The structure of the newly synthesized compounds was determined by spectral analysis. The title compounds were screened for their preliminary antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB, ATCC 25177) and Mycobacterium bovis BCG (BCG, ATCC 35743). Further, the synthesized compounds were screened for antimicrobial activity against standard Gram-negative bacteria Escherichia coli (NCIM 2576) and Pseudomonas flurescence (NCIM 2059) and Gram-positive bacteria Staphylococcus aureus (NCIM 2602) and Bacillus subtilis (NCIM 2162). Among all the synthesized compounds, 8a-c, f-h, m exhibited good activity against dormant M. bovis BCG strain. Compounds 8h, j exhibited good activity against all tested bacterial strains. All active compounds were screened for cytotoxicity and found inactive. Their high potency and promising antimycobacterial activity suggest that these compounds could serve as good leads for further optimization and development.
}, keywords = {1, 2, 3-Triazole, antibacterial activity, Antitubercular activity, Thiazole}, issn = {0922-6168}, doi = {10.1007/s11164-017-3164-4}, author = {Shinde, Vikas and Mahulikar, Pramod and Mhaske, Pravin C. and Nawale, Laxman and Sarkar, Dhiman} } @article {44512, title = {Synthesis and biological evaluation of novel triazole-biscoumarin conjugates as potential antitubercular and anti-oxidant agents}, journal = {Research on Chemical Intermediates}, volume = {44}, year = {2018}, month = {MAY}, pages = {1-28}, type = {Journal Article}, abstract = {
The synthesis of a new series of triazole-biscoumarin conjugates by using a molecular hybridization approach is described. The newly synthesized compounds 6a{\textendash}k were evaluated for their in vitro antitubercular activity against active and dormant Mtb H37Ra and anti-oxidant activity against DPPH radical scavenging. Molecular docking simulations for the antitubercular activity showed that the conjugates 6a{\textendash}k bind in the pocket of the DprE1 enzyme. Most of the conjugates displayed good antitubercular activity against both the active and dormant Mtb H37Ra strain. The compound 6h displayed very good antitubercular activity against dormant Mtb H37Ra with an IC50 value of 1.44 μg/mL. Most of the synthesized conjugates exhibit excellent anti-oxidant activity with an IC50 of less than the standard BHT. Compound 6b is the most active among all the conjugates with an IC50 value of 08.17 {\textpm} 0.11 μg/mL. The molecular docking study shows good agreement between the observed antitubercular activity and the binding affinity.
}, keywords = {1, 2, 3-triazoles, Anti-oxidant activity, Antitubercular activity, Biscoumarins, Molecular docking}, issn = {9226168}, doi = {10.1007/s11164-018-3490-1}, author = {Danne, Ashruba B.}, editor = {Choudhari, Amit S.} } @article {44509, title = {Synthesis and biological evaluation of some bicyclic [2-(2,4-dimethylphenylthio)phenyl] aniline and its amide derivatives as potential antitubercular agents}, journal = {Journal of Chemical Sciences}, volume = {130}, year = {2018}, month = {FEB }, pages = {22}, type = {Journal Article}, abstract = {
In the present investigation, a series of bicyclic [2-(2,4-dimethylphenylthio)phenyl] aniline analogues were synthesized and characterized by IR, NMR (1H and 13C) and mass spectra. All newly synthesized 15 compounds were inspected for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra in both active and dormant state using an established XTT Reduction Menadione assay (XRMA). The titled compounds exhibited minimum inhibitory concentration (MIC90) ranging from 0.05 to \>30 (μg/mL). The potent four compounds were further evaluated in THP-1 infection model where they demonstrated significant antitubercular activity. All the ex vivo active were further evaluated for cytotoxic activity against THP-1, MCK7 and HeLa cell lines in order to check selectivity index. All compounds were further screened against four different bacteria to assess their selectivity towards MTB. These derivatives could be considered as a precursor structure for further design of antituberculosis agent.
}, keywords = {4-dimethylphenylthio)phenyl] aniline, antituberculosis activity, Cytotoxicity, [2-(2}, issn = {9743626}, doi = {10.1007/s12039-018-1424-5}, author = {Patil, Yogesh and Shingare, Ramesh} } @article {44650, title = {Synthesis and biological evaluation of some new tricyclic pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidine derivatives as potential antitubercular agents}, journal = {Archiv Der Pharmazie}, volume = {351}, year = {2018}, month = {AUG}, pages = {e1800040}, abstract = {
A series of new tricyclic pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidines 8a-l were synthesized and characterized by IR, NMR (H-1 and C-13), and mass spectral analysis. The newly synthesized compounds 8a-l were inspected for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra using an established XTT reduction menadione assay (XRMA). The title compounds exhibited minimum inhibitory concentrations (MIC90) ranging from 0.09 to \>30g/mL. Five compounds (8c, 8i-l) were further confirmed for their dose-dependent effect against MTB. These compounds were evaluated in the THP-1 infection model, where 8i (MIC90=0.35g/mL), 8j (MIC90=1.17g/mL), 8k (MIC90=2.38g/mL), and 8l (MIC90=1.17g/mL) demonstrated significant antitubercular activity. All the ex vivo active compounds showed insignificant cytotoxicity against the human cancer cell lines, HeLa, MCF-7, and THP-1. Inactivity of all these compounds against Gram positive and Gram negative bacteria indicates their specificity. Molecular docking studies in the active site of the sterol 14alpha-demethylase (CYP51) enzyme revealed a similar binding mode to the native ligand in the crystal structure, thereby helping to understand the ligand-protein interactions and to establish a structural basis for inhibition of MTB. The results suggest novel pharmacophores as selective and specific inhibitors against MTB that can be explored further to synthesize lead compounds against tuberculosis. In summary, the results clearly indicate the identification of some novel, selective, and specific inhibitors against MTB that can be explored further for potential antitubercular drugs.
}, keywords = {2-e]tetrazolo[1, 5-c]pyrimidine, Antituberculosis, Cytotoxicity, Molecular docking, tricyclic pyrrolo[3}, issn = {0365-6233}, doi = {10.1002/ardp.201800040}, author = {Patil, Yogesh and Shingare, Ramesh and Choudhari, Amit and Borkute, Rachana and Sarkar, Dhiman and Madje, Balaji R.} } @article {45400, title = { Synthesis and characterization of partially bio-based polyimides based on biphenylene-containing diisocyanate derived from vanillic acid }, journal = {European Polymer JOurnal }, volume = {109}, year = {2018}, month = { DEC}, pages = {257-264}, type = {Article }, abstract = {A new bio-based biphenylene-containing diisocyanate, namely, 5,5{\textquoteright}-diisocyanato-2,2{\textquoteright},3,3{\textquoteright}-tetramethoxy-1,1{\textquoteright}-biphenyl (BDI) was synthesized starting from vanillic acid - a lignin-derived phenolic acid. A series of new partially bio-based polyimides was prepared by polycondensation of BDI with five commercially available aromatic dianhydrides. Polyimides exhibited good solubility in organic solvents and medium molecular weights (Mn (GPC, polystyrene standard) = 25,100-32,200 g mol(-1)). Polyimides showed good thermal stability with 10\% degradation temperature and glass transition temperature in the range 459-473 degrees C and 262-329 degrees C, respectively.}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2018.09.054}, author = {Kuhire, Sachin S. and Ichake, Amol B. and Grau, Etienne and Cramail, Henri and Wadgaonkar, Prakash P.} } @article {44498, title = {Synthesis, biological evaluation, and molecular docking study of pyridine clubbed 1,3,4-oxadiazoles as potential antituberculars}, journal = {Synthetic Communications}, volume = {48}, year = {2018}, month = {JAN}, pages = {524-540}, type = {Journal Article}, abstract = {
A series of pyridine clubbed 1,3,4-oxadiazole derivatives were efficiently synthesized, characterized by standard spectral techniques and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra and Mycobacterium bovis BCG in active and dormant state using an established methods. Compounds 5a, 5m, and 5t were identified as the most active compounds against MTB. Molecular docking was performed against MTB enoyl-ACP (CoA) reductase (FabI/ENR/InhA) enzyme to predict the binding modes and affinity. The theoretical predictions from molecular docking could establish a link between the observed biological activity and the binding affinity shedding light into specific bonded and non-bonded interactions influencing the activity. The active compounds were studied for cytotoxicity against three cell lines and were found to be non-cytotoxic. Specificity of these compounds was checked by screening them for their antibacterial activity against four bacterial strains.
}, keywords = {antibacterial activity, antituberculosis activity, cytotoxicity activity}, issn = {397911}, doi = {10.1080/00397911.2017.1410892}, author = {Desai, N. C.}, editor = {Trivedi, Amit} } @article {44241, title = {Synthesis, characterization, and gas permeation properties of adamantane-containing polymers of intrinsic microporosity}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {56}, year = {2018}, month = {JAN }, pages = {16-24}, type = {Article}, abstract = {
A new bis(catechol) monomer, namely, 4,4-((1r,3r)-adamantane-2,2-diyl)bis(benzene-1,2diol) (THADM) was synthesized by condensation of 2-adamantanone with veratrole followed by demethylation of the formed (1r,3r)-2,2-bis(3,4 dimethoxyphenyl)adamantane. Polycondensation of THADM and various compositions of THADM and 5,5,6,6-tetrahydroxy-3,3,3,3-tetramethylspirobisindane was performed with 2,3,5,6-tetrafluoroterephthalonitrile (TFTPN) to obtain the homopolymer and copolymers. These polymers demonstrated good solubility in common organic solvents such as dichloromethane, chloroform, and tetrahydrofuran and could be cast into tough films from their chloroform solutions. GPC analysis revealed that number average molecular weights of polymers were in the range 48,100-61,700 gmol(-1), suggesting the formation of reasonably high molecular weight polymers. They possessed intrinsic microporosity with Brunauer-Emmett-Teller (BET) surface area in the range 703-741 m(2)g(-1). Thermogravimetric analysis of polymers indicated that 10\% weight loss temperature was in the range 513-518 degrees C demonstrating their excellent thermal stability. THADM-based polymer of intrinsic microporosity (PIM) showed P(CO2)=1080, P(O-2)=232 and appreciable selectivity [(CO2/CH4)=22.6, (CO2/N-2)=26.7, and (O-2/N-2)= 5.7]. The gas permeability measurements revealed that with increase in the content of adamantane units in PIMs, selectivity increased and permeability decreased, following the trade-off relationship. The gas separation properties of PIMs containing adamantane units were located close to 2008 Robeson upper bound for gas pairs such as CO2/CH4, CO2/N-2, H-2/N-2, and O-2/N-2. (c) 2017 Wiley Periodicals, Inc.
}, keywords = {adamantane, Gas permeation, intrinsic microporosity, membranes, structure-property relations}, issn = {0887-624X}, doi = {10.1002/pola.28710}, author = {Shrimant, Bharat and Shaligram, Sayali V. and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article {45487, title = {Synthesis of 3-azidopiperidine skeleton employing ceric ammonium nitrate (CAN)-mediated regioselective azidoalkoxylation of enol ether: total synthesis of d-2 receptor agonist (+/-)-quinagolide}, journal = {Organic letters }, volume = {20}, year = {2018}, month = {NOV }, pages = {7011-7014}, type = {Article }, abstract = {The total synthesis of (+/-)-quinagolide, which is a D-2 receptor agonist, was accomplished via a ceric ammonium nitrate (CAN)-mediated regioselective azidoalkoxylation of enol ether route. Key features of the synthesis include Claisen rearrangement, PPTS (pyridinium p-toluene-sulfonate)-catalyzed one-pot acetal deprotection, followed by a diastereoselective Henry reaction, which enables construction of the required trans ring junction and CAN-mediated regioselective azidoalkoxylation of enol ether. The PPTS-catalyzed intramolecular diastereoselective Henry reaction to fix three contiguous stereocenters on tetrahydronaphthalene and the first-of-its-kind synthesis of the 3-azidopiperidine skeleton, using a CAN -mediated regioselective azidoalkoxylation of enol ether, are important findings of the present work.}, issn = {1523-7060}, doi = { 10.1021/acs.orglett.8b02900}, author = {Chavan, Subhash P. and Kadam, Appasaheb L. and Lasonkar, Pradeep B. and Gonnade, Rajesh G.} } @article {44507, title = {Synthesis of 4-difluoromethylquinolines by NHC-catalyzed umpolung of imines}, journal = { Organic Letters}, volume = {20}, year = {2018}, month = {JAN}, pages = {1086{\textendash}1089}, type = {Journal Article}, abstract = {The N-heterocyclic carbene (NHC)-catalyzed umpolung of aldimines for the synthesis of 4-difluoromethylquinoline derivatives is reported. In the presence of NHCs, the intramolecular cyclization of aldimines bearing a moderately electron-poor double bond due to the presence of the -CF3 group likely proceeds via the intermediacy of the aza-Breslow intermediate. The key to the success of this aza-Stetter type transformation is the NHC generated from the bicyclic triazolium salt using DBU as the base.}, issn = {15237060}, doi = {10.1021/acs.orglett.7b04055}, author = {Patra, Atanu}, editor = {Gelat, Fabien} } @article {44506, title = {Synthesis of biomass waste derived activated carbon-NBR composites for automobile application}, journal = {Chemistry and Chemical Technology}, volume = {12}, year = {2018}, pages = {236-243}, type = {Journal Article}, abstract = {
This paper reports on usability of activated carbon obtained from areca nut shell, coconut shell, and coconut leaves as a filler to prepare NBR based composite for automobile based application. The carbon was activated by phosphoric acid (H3PO4) as dehydrating agent. The stoichiometric ratio of biomass and phosphoric acid was found to be 3:1 for the batch size of 300 g. As compared to commercially available carbon filler, the activated carbon derived from biomass waste responded better to the petrol swelling test. Among three biomass waste sources, namely, areca nut shell, coconut shell, and coconut leaves, activated carbon derived from coconut shell was appeared to be the best for percent swelling and percent deviation in hardness. The results obtained are confirmed by proximate analysis.
}, keywords = {activated carbon, composites, hardness, NBR, Phosphoric acid}, issn = {19964196}, doi = {10.23939/chcht12.02.236}, author = {Jadhav, A. and Mohanraj, G.T. and Gokarn, A. and Mayadevi, S.} } @article {44505, title = {Synthesis of diesel additives from fructose over PWA/SBA-15 catalyst}, journal = {Fuel }, volume = {217}, year = {2018}, month = {JAN}, pages = {38-44}, type = {Journal Article}, abstract = {A series of composites of phosphotungstic acid (PWA) H3PW12O40 with SBA-15 were prepared by varying PWA amount from 5\% to 30\% by one-step sol-gel hydrothermal as well as by impregnation methods. Successful incorporation of PWA into the SBA-15 framework by sol-gel method was confirmed by 31P NMR in which a shifting of the peak due to tetrahedral {\textquoteleft}P{\textquoteright} atom of PWA from -14.32 and -14.49 ppm was observed. The composites exhibited both Br{\o}nsted and Lewis acidity, large and well distributed three dimensional interconnected pores with high surface areas exhibiting excellent activity for one pot synthesis of 5-(hydroxymethyl) furfural (5-HMF) and 5-(ethoxymethyl) furfural (EMF) from fructose. The minimum loading of 5\% of PWA in SBA-15, gave 78\% fructose conversion with the highest yield of 70\% towards 5-HMF. Increase in PWA loading up to 20\% resulted in the enhanced fructose conversion of 95\% accompanied by further etherification of 5-HMF to 67 and 12\% yield towards EMF and ethyl levulinate (EL), respectively. Increasing the \% of PWA in SBA-15 matrix resulted in increase in the acidity of the composites giving the yield trend as 5-HMF < EMF < EL. Catalyst prepared by sol-gel method showed excellent recyclability up to 3 reuses}, keywords = {5-(Ethoxymethyl) furfural, 5-(Hydroxymethyl) furfural, Phosphotungstic acid, SBA-15}, issn = {162361}, doi = {10.1016/j.fuel.2017.12.027}, author = {Patil, Chetana R.}, editor = {Rode, Chandrashekhar V.} } @article {44660, title = {Synthesis of ecofriendly fluorescent carbon dots and their biomedical and environmental applications}, journal = {Materials Technology}, volume = {33}, year = {2018}, month = {JAN}, pages = {672-680}, abstract = {
Green Synthesis of nanoparticles is an emerging field with enormous advantages over conventional synthesis methods. Herein we have reported a green method for the preparation of water soluble polydisperse carbon dots (c-dots) from Cocos nucifera frond pinnae by a modified version of the {\textquoteleft}single step hydrothermal carbonization{\textquoteright}. C-dots having blue emission were obtained with this method and we further evaluated the effect of metal ions interactions on c-dots, as a sharp decrease in photoluminescence was observed. The synthesized c-dots were found bioactive against B.subtilis, M. smegmatis and S. aureus as determined by the well diffusion assay. We also explored nanotheranostic applications of c-dots as biosensor matrix in DNA hybridization sensor for pancreatic cancer and in bioimaging of cancer cells. This study demonstrated that c-dots can be explored for numerous biomedical and environmental applications in a variety of fields owing to the cost effective synthesis, biocompatibility and excellent physico-chemical properties.
}, keywords = {Carbon dots, differential pulse voltammetry, DNA hybridization sensor, green synthesis, Pancreatic Cancer}, issn = {1066-7857}, doi = {10.1080/10667857.2018.1492683}, author = {Joshi, Preeti Nigam and Mathias, Anjelica and Mishra, Abhishek} } @article {44192, title = {Synthesis of furo[2,3-b]pyran-2-ones through Ag(I)- or Ag(I)-Au(I)-catalyzed cascade annulation of alkynols and alpha-ketoesters}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {FEB }, pages = {872-875}, type = {Article}, abstract = {
Ag(I)- or Ag(I)-Au(I)-catalyzed cascade annulation of alkynols (5-hexyn-1-ol systems) with a-ketoesters involving a dual activation process (pi and sigma) has been developed for the first time. This reaction proceeds through cycloisomerization of alkynol to give the 6-endo-enol ether followed by annulation with an alpha-ketoester to furnish furo[2,3-b]pyran-2-ones in good yields. Chemical structures of all products were rigorously confirmed by single crystal X-ray analysis and analogy.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.7b04027}, author = {Thorat, Sagar S. and Kataria, Priyanka and Kontham, Ravindar} } @article {44585, title = {Synthesis of heterogeneous Ru(II)-1,2,3-triazole catalyst supported over SBA-15: application to the hydrogen transfer reaction and unusual highly selective 1,4-disubstituted triazole formation via multicomponent click reaction}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {JUL}, pages = {3246-3259}, abstract = {In the present study, we demonstrate a simple and efficient method for ligand formation and covalent anchoring to a heterogeneous support via click reaction. The complex tris(triphenylphosphine) ruthenium(II) dichloride [RuCl2(PPh3)(3)] anchored over the click modified ligand of SBA-15 forms a new highly efficient heterogeneous SBA-15-Tz-Ru(II) TPP catalyst. Solid state C-13, Si-29, and P-31 CP-MAS NMR spectra provide evidence for the formation of the heterogeneous catalyst. SBA-15-Tz-Ru(II) TPP catalyst was screened for the multicomponent click cycloaddition reaction in water medium as a green solvent and it exhibited unusual and excellent selectivity for the formation of 1,4-disubstituted triazole product under mild reaction condition. In addition, SBA-15-Tz-Ru(II) TPP catalyst also catalyzed the hydrogen transfer reaction of various carbonyl compounds with excellent catalytic activity to give the corresponding alcohols. The heterogeneous catalyst can be recycled and reused several times (five) without a loss in reactivity.}, doi = {10.1039/c7cy02619f}, author = {Sharma, Priti and Rathod, Jayant and Singh, A. P. and Kumar, Pradeep and Sasson, Yoel} } @article {45613, title = {Synthesis of hyaluronic acid hydrogels using click chemistry approach for biomedical applications}, journal = {Trends in carbohydrate research}, volume = {10}, year = {2018}, month = {JAN}, pages = {1-8}, type = {Article}, abstract = {Hyaluronic acid (HA) is one of the most versatile biomaterial which forms an essential component of an extracellular matrix (ECM) and plays a vital role in wide variety of biological processes. Inherent biocompatibility, biodegradability and presence of functional groups for modification make it an attractive material for the synthesis of hydrogels for biological applications. In the present work, we have explored an azide-alkyne click chemistry approach for the preparation of HA hydrogels. Furthermore, we incorporated the hydrolysable carbonate ester linkages which are known to cleave in the physiological environment. The hydrogels with carbonate ester linkages and incubated with drug molecules can be used for the slow release of drug molecules. The hydrogels synthesized using azide alkyne click chemistry was characterized using NMR and IR spectroscopy.}, author = {Gupta, N. and Tiwari, N. and Badiger, M.} } @article {44502, title = {Synthesis of key intermediate for (+)-tofacitinib through CoIII(salen)-catalyzed two stereocentered hydrolytic kinetic resolution of ({\^A}{\textpm})-methyl-3-(oxiran-2-yl)butanoate}, journal = { Synthetic Communications}, volume = {48}, year = {2018}, month = {MAR}, pages = {1045-1051}, type = {Journal Article}, abstract = {An enantiopure piperidine, a key intermediate for the synthesis of (+)-tofacitinib, has been achieved in high optical purity (98\% ee) from readily available crotyl alcohol. The key steps involved is a CoIII(salen)-OAc-catalyzed two stereocentered hydrolytic kinetic resolution of ({\textpm})-methyl-3-(oxiran-2-yl)butanoate.}, keywords = {enantioselective, Hydrolytic kinetic resolution, iodolactonization, γ-Butyralactone}, issn = {397911}, doi = {10.1080/00397911.2018.1434204}, author = {Kamble, Rohit B.}, editor = {Suryavanshi, Gurunath} } @article {44500, title = {Synthesis of novel alpha-aminophosphonate derivatives, biological evaluation as potent antiproliferative agents and molecular docking}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAY}, pages = {5552-5558}, type = {Journal Article}, abstract = {
A series of novel fluorine containing α-aminophosphonate derivatives (4 a{\textendash}4 q) were synthesized in excellent yield and high purity. All these novel Fluorinated α-aminophosphonate compounds were screened for antiproliferative and apoptosis activity on human non small cell lung carcinoma cells (A549) and human skin melanoma cells (SK-MEL-2). Compounds 4 a, 4 b, 4 c, 4 f, 4 i, 4 j and 4 m were found to be more active antiproliferative agent against A549 and SK-MEL-2 cells with IC50 value 0.22 to 1.25 μM. Molecular docking study related to binding affinity and binding mode analysis showed that synthesized compounds had potential to inhibit human Topoisomerase IIa enzyme system. Flow cytometric study showed some of these derivatives also induced cell apoptosis and arrest cell cycle at G1 and at G2/M phase. Overall, this study provides future perspective of lead candidate for the future anticancer drug discovery initiatives.
}, issn = {23656549}, doi = {10.1002/slct.201800798}, author = {Deshmukh, Satish U.}, editor = {Kharat, Kiran R.} } @article {45370, title = {Synthesis of quinolinyl based pincer copper (II) complexes: an efficient catalyst system for Kumada coupling of alkyl chlorides and bromides with alkyl Grignard reagents }, journal = {Dalton Transactions }, volume = {47}, year = {2018}, month = {DEC}, pages = {16747-16754}, type = {Article }, abstract = {
Quinolinamide-based pincer copper(ii) complexes, (N),(N),(N)-{C9H6N-(-N)-C(O)CH2NEt2}CuX [((NNN2Et)-N-Q)CuX (X = Cl, 2; X = Br, 3; X = OAc, 4)], were synthesized by the reaction of ligand ((NNN2Et)-N-Q)-H (1) with CuX2 (X = Cl, Br or OAc) in the presence of Et3N. The reaction of ((NNN2Et)-N-Q)-H with CuX (X = Cl, Br or OAc) also afforded the Cu(ii) complexes 2, 3 and 4, respectively, instead of the expected Cu(i) pincer complexes. The formation of Cu(ii) complexes from Cu(i) precursors most likely occurred via the disproportionation reaction of Cu(i) into Cu(0) and Cu(ii). A cationic complex [((NNN2Et)-N-Q)Cu(CH3CN)]OTf (5) was synthesized by the treatment of neutral complex 2 with AgOTf. On the other hand, the reaction of ((NNN2Et)-N-Q)-H (1) with [Cu(MeCN)(4)]ClO4 produced cationic Cu(i) complex, [((NN)-N-Q(H)N-2(Et))Cu(CH3CN)]ClO4 (6), in good yield. All complexes 2-5 were characterized by elemental analysis and HRMS measurements. Furthermore, the molecular structures of 2, 3 and 4 were elucidated by X-ray crystallography. Complex 4 crystallizes in a dimeric and catemeric pattern. The cationic complex 5 was found to be an efficient catalyst for the Kumada coupling reaction of diverse nonactivated alkyl chlorides and bromides with alkyl magnesium chloride under mild reaction conditions.
}, issn = {1477-9226}, author = {Pandiri, Hanumanprasad and Gonnade, Rajesh G. and Punji, Benudhar} } @article {45496, title = {Synthetic control on structure/dimensionality and photophysical properties of low dimensional organic lead bromide perovskite}, journal = { Inorganic chemistry}, volume = {57}, year = {2018}, month = {OCT }, pages = {13443-13452}, type = {Article }, abstract = {Low dimensional lead halide perovskites have attracted huge research interest due to their structural diversity and remarkable photophysical properties. The ability to controllably change dimensionality/structure of perovskites remains highly challenging. Here, we report synthetic control on structure/dimensionality of ethylenediammonium (ED) lead bromide perovskite from a two dimensionally networked (2DN) sheet to a one dimensionally networked (1DN) chain structure. Intercalation of solvent molecules into the perovskite plays a crucial role in directing the final dimensionality/structure. This change in dimensionality reflects strongly in the observed differences in photophysical properties. Upon UV excitation, the 1DN structure emits white light due to easily formed {\textquotedblleft}self-trapped{\textquotedblright} excitons. 2DN perovskites show band edge blue emission (\~{}410 nm). Interestingly, Mn2+ incorporated 2DN perovskites show a highly red-shifted Mn2+ emission peak at \~{}670 nm. Such a long wavelength Mn2+ emission peak is unprecedented in the perovskite family. This report highlights the synthetic ability to control the dimensionality/structure of perovskite and consequently its photophysical properties.}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.8b02042}, author = {Haris, Muhammed P. U. and Bakthavatsalam, Rangarajan and Shaikh, Samir and Kore, Bhushan P. and Moghe, Dhanashree and Gonnade, Rajesh G. and Sarma, D. D. and Kabra, Dinesh and Kundu, Janardan} } @article {44495, title = {Synthetic studies towards Pseudoxylallemycin B, an antibiotic active against gram-negative bacteria: total synthesis of 3-epi-Pseudoxylallemycin B}, journal = {Tetrahedron Letters}, year = {2018}, type = {Journal Article}, abstract = {In an attempt towards the total synthesis of Pseudoxylallemycin B, a homo dimeric, N-methylated macrocyclic tetrapeptidic natural product, synthesis of its epimer at position 3 (d-Tyr instead of l-Tyr) is described here. During the course of synthesis we came across a striking yet unusual observation of complete epimerization which led to the formation of 3-epi-Pseudoxylallemycin B.}, keywords = {Cyclic tetrapeptides, Epimerization, Gram-negative bacteria, Macrolactamization, Propyl phosphonic anhydride (T3P)}, doi = {10.1016/j.tetlet.2018.06.028}, author = {Gunjal, Vidya B.}, editor = {Reddy, Shrinivasa D.} } @article {45379, title = { Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals}, journal = {IUCrJ}, volume = {5}, year = {2018}, month = {NOV}, pages = {816-822}, type = {Article}, abstract = {The single-crystal X-ray structure of a 6-component organic-salt alloy (hexanary) of naftopidil (1) (an active pharmaceutical ingredient) with benzoic acid (2) and four different hydroxy-substituted benzoic acids, i.e. salicylic acid (3), 2,3-dihydroxybenzoic acid (4), 2,4-dihydroxybenzoic acid (5) and 2,6-dihydroxybenzoic acid (6), is reported. The hexanary assembly originates from the observation that the binary salts of naftopidil with the above acids are isostructural. In addition to the 6-component solid, we also describe five 5-component, ten 4-component, and ten 3-component organic-salt alloys of naftopidil (1) with carboxylic acids (2)-(6). These alloys were obtained from different combinations of the acids with the drug. The synthetic design of the multicomponent organic alloys is based on the rationale of geometrical factors (shape and size) and chemical interactions (hydrogen bonds). The common supramolecular synthon in all these crystal structures was the cyclic N+ - H center dot center dot center dot O- and O-H center dot center dot center dot O hydrogen-bonded motif of R-2(2) (9) graph set between the 2-hydroxyammonium group of naftopidil and the carboxylate anion. This ionic synthon is strong and robust, directing the isostructural assembly of naftopidil with up to five different carboxylic acids in the crystal structure together with the lower-level multicomponent adducts. Solution crystallization by slow evaporation provided the multicomponent organic salts and alloys which were characterized by a combination of single-crystal X-ray diffraction, powder X-ray diffraction, NMR and differential scanning calorimetry techniques.}, issn = { 2052-2525}, doi = { 10.1107/S2052252518014057}, author = {Dandela, Rambabu and Tothadi, Srinu and Marelli, Udaya Kiran and Nangia, Ashwini} } @article {44494, title = {Targeted phenotypic screening in plasmodium falciparum and toxoplasma gondii reveals novel modes of action of medicines for malaria venture malaria box molecules}, journal = {mSphere}, volume = {3}, year = {2018}, month = {JAN}, pages = { e00534-17}, type = {Journal Article}, abstract = {The Malaria Box collection includes 400 chemically diverse small molecules with documented potency against malaria parasite growth, but the underlying modes of action are largely unknown. Using complementary phenotypic screens against Plasmodium falciparum and Toxoplasma gondii, we report phenotype-specific hits based on inhibition of overall parasite growth, apicoplast segregation, and egress or host invasion, providing hitherto unavailable insights into the possible mechanisms affected. First, the Malaria Box library was screened against tachyzoite stage T. gondii and the half-maximal effective concentrations (EC50s) of molecules showing >=80\% growth inhibition at 10 {\textmu}M were determined. Comparison of the EC50s for T. gondii and P. falciparum identified a subset of 24 molecules with nanomolar potency against both parasites. Thirty molecules that failed to induce acute growth inhibition in T. gondii tachyzoites in a 2-day assay caused delayed parasite death upon extended exposure, with at least three molecules interfering with apicoplast segregation during daughter cell formation. Using flow cytometry and microscopy-based examinations, we prioritized 26 molecules with the potential to inhibit host cell egress/invasion during asexual developmental stages of P. falciparum. None of the inhibitors affected digestive vacuole integrity, ruling out a mechanism mediated by broadly specific protease inhibitor activity. Interestingly, five of the plasmodial egress inhibitors inhibited ionophore-induced egress of T. gondii tachyzoites. These findings highlight the advantage of comparative and targeted phenotypic screens in related species as a means to identify lead molecules with a conserved mode of action. Further work on target identification and mechanism analysis will facilitate the development of antiparasitic compounds with cross-species efficacy.}, issn = {23795042}, doi = {10.1128/mSphere.00534-17}, author = {Subramanian, Gowtham}, editor = {Belekar, Meenakshi A.} } @article {45382, title = {Tau protein squired by molecular chaperones during alzheimer{\textquoteright}s disease}, journal = {Journal of Molecular Neuroscience}, volume = {66}, year = {2018}, month = {NOV}, pages = { 356-368}, type = {Article}, abstract = {
Alzheimer{\textquoteright}s disease (AD) is a neurodegenerative disorder characterized by progressive neuronal loss, caused by misfolding and accumulation of tau and Amyloid -42. Cellular mechanisms involving phosphatases, chaperones, ubiquitin proteasome system (UPS) and aggresomes solubilize or remove these toxic aggregates. Chaperones such as Hsp70 and Hsp90 functions in folding tau to its native form or in the downstream degrade and eliminated tau from the cell. Chaperones are involved in lysosomal degradation of tau by a process called chaperone mediated autophagy (CMA). In pathological conditions, chaperones fail to remove the toxic tau species, leading to their accumulation. In this scenario, inhibiting the chaperone activity would aid in overcoming AD. Small molecules inhibitors against chaperone activity are known to be effective in the clearance of aberrant tau from cell. In this review, the aspects of inhibition and prevention of tau aggregates formation are discussed in terms of chaperone activity and their small molecule modulators.
}, issn = { 0895-8696}, doi = { 10.1007/s12031-018-1174-3}, author = {Gorantla, Nalini Vijay and Chinnathambi, Subashchandrabose} } @article {44488, title = {Temperature and pressure dependent Raman spectroscopy of plasma treated multilayer graphene nanosheets}, journal = {Diamond and Related Materials}, volume = {84}, year = {2018}, month = {APR }, pages = {146-156}, type = {Journal Article}, abstract = {
Understanding of the fine structure at the atomic level and properties of graphene by creating defects is important from the point of view of thermal and stress management. Here we report Raman spectroscopic studies on pristine and plasma treated multilayer graphene to explore the remarkable structure and phonon properties with temperature and pressure. Temperature dependent studies illustrate monotonic softening of G and G' bands in the temperature range 78 to 573 K. This process can be of fundamental importance in other promising and emerging nano and heterostructured materials. The pressure dependent Raman spectroscopic investigations on G-band of these samples were carried out up to 25 GPa using a diamond anvil cell. Comparatively weak and more compressible nature of the G band (E2g in-plane mode) as a function of applied pressure is found in plasma treated graphene. After pressure release, the samples recover to their original ordered structure. The present study is important for further understanding of the fine structure, properties and effect of defects in graphene, which can affect the atomic bonds, thermal expansion, specific heat, and thermal conductivity as well.
}, keywords = {graphene, high pressure, Phonon, Plasma treated graphene, Raman spectroscopy}, issn = {9259635}, doi = {10.1016/j.diamond.2018.03.021}, author = {Pawbake, Amit S. and Mishra, K. K. and Machuno, Luis G. B. and Gelamo, Rogerio V. and Ravindranathan, T. R. and Rout, Chandra Sekhar and Late, Dattatray J.} } @article {44486, title = {Temperature and pressure dependent thermodynamic behavior of 2H-CuInO2}, journal = {AIP Conference Proceedings}, volume = {1953}, year = {2018}, month = {MAY}, type = {Journal Article}, abstract = {Density functional theory and quasi-harmonic Debye model has been used to study the thermodynamic properties of 2H-CuInO2. At the optimized structural parameters, pressure (0 to 80 GPa) dependent variation in the various thermodynamic properties, i.e. unit cell volume (V), bulk modulus (B), specific heat (Cv), Debye temperature (ӨD), Grǘneisen parameter (γ) and thermal expansion coefficient (α) are calculated for various temperature values. The results predict that the pressure has significant effect on unit cell volume and bulk modulus while the temperature shows negligible effect on both parameters. With increasing temperature thermal expansion coefficient increase while with increasing pressure it decreases. The specific heat remains close to zero for ambient pressure and temperature values and it increases with increasing temperature. It is observed that the pressure has high impact on Debye temperature and Grǘneisen parameter instead of temperature. Debye temperature and Grǘneisen parameter both remains almost constant for the temperature range (0-300K) while Grǘneisen parameter decrease with increasing pressure at constant temperature and Debye temperature increases rapidly with increasing pressure. An increase in Debye temperature with respect to pressure shows that the thermal vibration frequency changes rapidly.}, issn = {0094243X}, doi = {10.1063/1.5033167}, author = {Bhamu, K. C.} } @article {44484, title = {Temperature dependent electron transport behavior of poly (methyl methacrylate)/silver functionalized reduced graphene oxide films}, journal = {AIP Conference Proceedings}, volume = {1942}, year = {2018}, month = {APR }, type = {Journal Article}, abstract = {
Poly (methyl methacrylate) (PMMA) and silver functionalized reduced graphene oxide film were prepared and were investigated using FTIR and Raman. Electron transport behavior of these samples, at low temperature were studied. The prepared film exhibited a temperature dependent electron transport, at higher temperatures Arrhenius-like temperature dependence of resistance was observed indicating band like electron transport with a small thermal activation energy. At further lower temperatures hopping mechanism of conduction was observed due to the presence of defects. The conduction due to band-like electron transport at higher temperature is attributed to the easier excitation of charge carriers to the conduction band, whereas at lower temperatures conduction occurs through hopping mechanism due to localized states around Fermi level in the presence of defects.
}, issn = {0094243X}, doi = {10.1063/1.5029028}, author = {Asha, S.}, editor = {Ananth, A. Nimrodh} } @article {44165, title = {Tetranuclear cubane Cu4O4 complexes as prospective anticancer agents: Design, synthesis, structural elucidation, magnetism, computational and cytotoxicity studies}, journal = {Inorganic Chimica Acta}, volume = {473}, year = {2018}, month = {MAR}, pages = {121-132}, abstract = {Two new homometallic Cu4O4 cubane clusters 1 and 2 have been synthesized by self-assembly of copper (II) acetate and ligand, 2-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-2-hydroxymethyl-propane-1, 3-diol (H4L) and characterized thoroughly by various spectroscopic techniques and single crystal X-ray diffraction analysis. Temperature- dependent magnetic susceptibility measurements have been performed to elucidate the antiferromagnetic and ferromagnetic nature in Cu4O4 clusters 1 and 2, respectively. In vitro DNA binding studies of cubane clusters were carried out by employing optical spectroscopic techniques. Gel electrophoretic mobility assay performed to examine the nuclease activity of the complexes 1 and 2 with pBR322 DNA, and results revealed oxidative DNA cleavage via reactive oxygen species (ROS) species viz., O-2(.-), O-1(2), etc. In vitro cell proliferation via MTT assay was studied to calculate the cytotoxicity of complexes 1 and 2. The IC50 evaluated were similar to 20 mu M in MCF-7 (Breast) and similar to 30-35 mu M in HepG2 (Liver) cancer cell lines. Additionally, in the presence of 1 and 2, ROS and TBARS (Thiobarbituric acid reactive substance) levels amplified significantly, coupled with GSH (glutathione) levels in cancer lines. Hence, the results exhibited the major role of ROS in apoptosis induced by 1 and 2 clusters and validate their prospective to be efficient anticancer drug entities. (C) 2018 Elsevier B.V. All rights reserved.}, keywords = {Cu4O4 cubane complexes, Cytotoxicity, DFT, DNA binding, Magnetism, Nuclease activity}, issn = {0020-1693}, doi = {10.1016/j.ica.2017.12.039}, author = {Usman, Mohammad and Arjmand, Farukh and Khan, Rais Ahmad and Alsalme, Ali and Ahmad, Musheer and Sen Bishwas, Mousumi and Tabassum, Sartaj} } @article {45454, title = {Thermal conductivity studies on magnetite nanofluids coated with short-chain and long-chain fatty acid surfactants}, journal = {Bulletin of Materials Science}, volume = {41}, year = {2018}, month = {OCT}, type = {Article}, abstract = {The effect of the length of surfactant molecules on the surface of the nanoparticles on the thermal conductivity of nanofluids is studied. Magnetite (Fe3O4) nanoparticles of comparable sizes are stabilized with short-chain capric acid (C9H19COOH) and long-chain stearic acid (C17H35COOH) molecules. Thermal conductivity of the two surfactant-coated magnetite nanoparticles dispersed in toluene is measured as a function of the concentration of the particles in the fluids and in the presence of a magnetic field. Studies showed that the critical concentration for thermal conductivity enhancement is lower for stearic-acid-coated fluid as compared with the capric-acid-coated fluid. Comparable enhancement in the thermal conductivity is observed at higher concentrations of the particles. Relatively larger enhancement in the thermal conductivity is observed for the capric-acid-coated fluid in a magnetic field. The difference in the enhancement in the thermal conductivity, depending on the chain length of the surfactant, is explained in terms of the inter-particle magnetic interactions and formation of clusters.}, issn = { 0250-4707}, doi = {10.1007/s12034-018-1638-7}, author = {Lenin, R. and Dadwal, A. and Joy, P. A.} } @article {44480, title = {Thermo thickening behavior of MPEG-b-PCL grafted poly(acrylic acid): a molecular insight}, journal = {Polymer}, volume = {148}, year = {2018}, month = {JUL}, pages = {138-148}, type = {Journal Article}, abstract = {
We report on the synthesis and characterization of a new thermothickening polymer (PAA-g-(MPEG-b-PCL)) based on the grafting of a block copolymer of mono methoxy poly (ethylene glycol){\textendash}b-poly (caprolactone) (MPEG-b-PCL) onto poly (acrylic acid) (PAA). Rheological experiments reveal that aqueous solutions of PAA-g-(MPEG-b-PCL) exhibit interesting irreversible thermothickening behavior above a certain polymer concentration and critical temperature. Light scattering experiments show that increasing temperature induces hydrophobic associations and subsequent aggregation leading to gel formation which is irreversible. The mechanism of thermo thickening was examined at the molecular level by NMR methods which indicated unassembled and assembled environments of the MPEG-b-PCL grafts. On heating, interactions between the graft side chains are significantly enhanced and molecular mobility in the assembled microdomains is reduced. The stable well ordered microdomains that are formed on heating are retained on cooling thus, leading to irreversible gelation.
}, keywords = {Hydrophobically modified poly (acrylic acid), Light scattering, Methoxy polyethylene glycol-b-polycaprolactone (MPEG-b-PCL) copolymer, Rheology, Thermo gelation}, issn = {323861}, doi = {10.1016/j.polymer.2018.06.031}, author = {Tiwari, Neha}, editor = {Shedge, Aarti} } @article {44601, title = {THiCweed: fast, sensitive detection of sequence features by clustering big datasets}, journal = {Nucleic Acids Research}, volume = {46}, year = {2018}, month = {MAR}, pages = {e29}, abstract = {
We present THiCweed, a new approach to analyzing transcription factor binding data from high-throughput chromatin immunoprecipitation-sequencing (ChIP-seq) experiments. THiCweed clusters bound regions based on sequence similarity using a divisive hierarchical clustering approach based on sequence similarity within sliding windows, while exploring both strands. ThiCweed is specially geared toward data containing mixtures of motifs, which present a challenge to traditional motif-finders. Our implementation is significantly faster than standard motif-finding programs, able to process 30 000 peaks in 1-2 h, on a single CPU core of a desktop computer. On synthetic data containing mixtures of motifs it is as accurate or more accurate than all other tested programs. THiCweed performs best with large {\textquoteleft}window{\textquoteright} sizes (\>50 bp), much longer than typical binding sites (7-15 bp). On real data it successfully recovers literature motifs, but also uncovers complex sequence characteristics in flanking DNA, variant motifs and secondary motifs even when they occur in \<5\% of the input, all of which appear biologically relevant. We also find recurring sequence patterns across diverse ChIP-seq datasets, possibly related to chromatin architecture and looping. THiCweed thus goes beyond traditional motif finding to give new insights into genomic transcription factor-binding complexity.
}, issn = {0305-1048}, doi = {10.1093/narlgkx1251}, author = {Agrawal, Ankit and Sambare, Snehal V. and Narlikar, Leelavati and Siddharthan, Rahul} } @article {45349, title = {Three-dimensional metal-organic polymer of multivalent hexaphenylbenzene}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {DEC}, pages = {13712-13715}, type = {Article}, abstract = {
Metal-Organic Frameworks(MOFs) synthesized from ligands more than ten co-ordinating sites may offer material applications due to their structural architecture. Herein, a synthesis of metal-organic framework is reported from a ligand featuring 12-aryl carboxylic acid groups appended on a hexaphenylbenzene and s-block element potassium. The synthesized MOF was characterized by thermogravimetric analysis, infrared spectroscopy and X-diffraction studies. The X-ray crystal structure of MOF was shown to have a significant number of trapped and coordinated water molecules in its three-dimensional framework.
}, doi = {10.1002/slct.201802797}, author = {Madhu, Suresh and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {44592, title = {Ti-doped Pd-Au catalysts for one-pot hydrogenation and ring opening of furfural}, journal = {Catalysts}, volume = {8}, year = {2018}, month = {JUN}, pages = {252}, abstract = {
Pd-Au bimetallic catalysts with different Pd/Au atomic ratios, supported on ordered structured silica (Hexagonal mesoporous silica-HMS, or Santa Barbara Amorphous-15-SBA-15) were evaluated for one-pot hydrogenation of furfural to 1,2-pentanediol. The surface and structural properties of the catalysts were deeply investigated by X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), N-2 adsorption isotherms (BET), Infrared spectroscopy (IR), and acid capacity measurements. XPS studies revealed that Ti doped supports had higher dispersion of the active phase, particularly in the case of Pd-Au materials in which Ti played an important role in stabilizing the metallic species. Among the various process conditions studied, such as temperature (160 degrees C), catalyst amount (10\% w/w), and reaction time (5 h), H-2 pressure (500 psi) was found to improve the 1,2-pentanediol selectivity. The SBA silica bimetallic Ti-doped system showed the best performance in terms of stability and reusability, after multiple cycles. Under specific reaction conditions, the synergism between Pd-Au alloy and Ti doping of the support allowed the ring opening pathway towards the formation of 1,2-pentanediol in furfural hydrogenation.
}, keywords = {Bimetallic catalyst, furfural, Hydrogenation, ring-opening}, issn = {2073-4344}, doi = {10.3390/catal8060252}, author = {Date, Nandan Shreehari and La Parola, Valeria and Rode, Chandrashekhar Vasant and Testa, Maria Luisa} } @article {44475, title = {{\textquoteright}TIME{\textquoteright}: A web application for obtaining Insights into Microbial Ecology using longitudinal microbiome data}, journal = {Frontiers in Microbiology}, volume = {9}, year = {2018}, month = {JAN}, abstract = {
Realization of the importance of microbiome studies, coupled with the decreasing sequencing cost, has led to the exponential growth of microbiome data. A number of these microbiome studies have focused on understanding changes in the microbial community over time. Such longitudinal microbiome studies have the potential to offer unique insights pertaining to the microbial social networks as well as their responses to perturbations. In this communication, we introduce a web based framework called {\textquoteleft}TIME{\textquoteright} (Temporal Insights into Microbial Ecology{\textquoteright}), developed specifically to obtain meaningful insights from microbiome time series data. The TIME web-server is designed to accept a wide range of popular formats as input with options to preprocess and filter the data. Multiple samples, defined by a series of longitudinal time points along with their metadata information, can be compared in order to interactively visualize the temporal variations. In addition to standard microbiome data analytics, the web server implements popular time series analysis methods like Dynamic time warping, Granger causality and Dickey Fuller test to generate interactive layouts for facilitating easy biological inferences. Apart from this, a new metric for comparing metagenomic time series data has been introduced to effectively visualize the similarities/differences in the trends of the resident microbial groups. Augmenting the visualizations with the stationarity information pertaining to the microbial groups is utilized to predict the microbial competition as well as community structure. Additionally, the {\textquoteleft}causality graph analysis{\textquoteright} module incorporated in TIME allows predicting taxa that might have a higher influence on community structure in different conditions. TIME also allows users to easily identify potential taxonomic markers from a longitudinal microbiome analysis. We illustrate the utility of the web-server features on a few published time series microbiome data and demonstrate the ease with which it can be used to perform complex analysis.
}, issn = {1664302X}, doi = {10.3389/fmicb.2018.00036}, author = {Baksi, Krishanu D.}, editor = {Kuntal, Bhusan K.} } @article {44179, title = {To form layer by layer composite film in view of its application as supercapacitor electrode by exploiting the techniques of thin films formation just around the corner}, journal = {Electrochimica Acta}, volume = {265}, year = {2018}, month = {MAR }, pages = {556-568}, type = {Article}, abstract = {A method is described to form robust composite supercapacitor electrodes consisting of polyaniline (PANI)-graphene (GNS) and PANI-MoS2 nanosheets wherein composites are formed by Layer by Layer (LbL) deposition. PANI layer consisting of 10-15 nm particle size was formed by LLIRT, while GNS and MoS2 layers were formed by modified LLIRT. A special feature of the development is the architecture which is rarely found in the literature wherein singular components are stacked over each other to form a composite. The architecture is found to show strong synergistic effects suitable for high performance supercapacitor applications. The composites were characterized by using X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM) etc. The characterization indicates the formation of composites having uniform distribution of PANI nanoparticles over the 2D nanosheets of GNS and MoS2 respectively. The electrochemical performance of the composites was evaluated by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and Galvanostatic Charge Discharge (GCD). The composite layer consisting of PANI-GNS alternate layers, showed an excellent specific capacitance (C-sp) of 549 Fg(-1) while PANI-MoS2 alternate layers and PANI layers showed C-sp to be (413 F g(-1)) and (185 F g(-1)) respectively. It is proposed that C-sp stability of the composites is greatly enhanced by the architecture of composite formation through LbL deposition approach. PANI-GNS showed high stability (95\% retention of C-sp), PANI-MoS2 (94\% retention of C-sp) as against single component capacitance of PANI (67\% retention of C-sp). The results reveal the importance of the architecture of composite formation. The architecture of depositing alternate layers of components to form a composite would have special properties leading to synergistic effect in the applications. The present communication is a proof of this concept. It shows the boost in the charge storage resulting in stable robust supercapacitors formation. We predict similar advantages in other applications such as solar energy conversion, sensors, catalysis, etc. (C) 2018 Elsevier Ltd. All rights reserved.}, keywords = {GNS, Layer-by-Layer deposition, MoS2 nanosheets, polyaniline, Supercapacitors}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.01.165}, author = {Patil, Sagar H. and Gaikwad, Aarti P. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article {45485, title = {Total synthesis and biological evaluation of cell adhesion inhibitors peribysin A and B: structural revision of peribysin B}, journal = {Organic letters }, volume = { 20}, year = {2018}, month = {NOV}, pages = {7003-7006}, type = {Article }, abstract = {Total synthesis of potent cell-adhesion inhibitors peribysins A and B has been accomplished for the first time in racemic form. A Diels-Alder/aldol sequence to build the skeleton and decoration of the desired functionalities of the targeted natural products using highly stereoselective operations are the highlights. The structures of synthesized peribysins were fully characterized using spectral data and single-crystal X-ray analysis. Through this total synthesis, the initially proposed structure of peribysin B has been revised. Furthermore, the cell-adhesion inhibition potential of the scaffold (two peribysins + three analogues) was confirmed using anti-adhesion assay.}, issn = {1523-7060}, doi = { 10.1021/acs.orglett.8b02838}, author = {Kalmode, Hanuman P. and Handore, Kishor L. and Rajput, Raveena and Shaikh, Samir R. and Gonnade, Rajesh G. and Kulkarni, Kiran A. and Reddy, D. Srinivasa} } @article {45380, title = {Total synthesis of an anticancer natural product (+/-)-peharmaline A and its analogues}, journal = { European Journal of Organic Chemistry}, year = {2018}, month = {DEC}, pages = {6453-6456}, type = {Article}, abstract = {
First total synthesis of a rare beta-carboline-vasicinone hybrid alkaloid (+/-)-peharmaline A has been accomplished in just 3 steps starting from known compounds. Stereoselective Pictet-Spengler reaction to nitrogenated tertiary carbon center and one-pot construction of the tricyclic skeleton of vasicinone are the highlights of present synthesis. We have also synthesized structurally close analogues of the natural product by following the developed route.
}, issn = {1434-193X}, doi = {10.1002/ejoc.201800949}, author = {Kulkarni, Akshay S. and Shingare, Rahul D. and Dandela, Rambabu and Reddy, D. Srinivasa} } @article {45414, title = { Total synthesis of notoryne}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {OCT}, pages = {12863-12868}, type = {Article}, abstract = {The structure of notoryne comprises a halogenated 2,2{\textquoteright}-bifuranyl moiety along with a terminal cis-enyne unit. In this work, we document the first total synthesis of notoryne, confirming its assigned relative and absolute configurations. The devised route comprises a glucose diacetonide-derived chiral pool intermediate as the starting point and 5-endo bromo-etherification for making the key bis-furan unit, anomeric C-allylation, as well as a relay cross-metathesis to install the cis-enyne unit.}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b01757}, author = {Senapati, Sibadatta and Das, Shyamsundar and Ramana, Chepuri V.} } @article {45356, title = {Total synthesis of the potent anti-inflammatory natural product solomonamide A along with structural revision and biological activity evaluation}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {DEC}, pages = {9138-9142}, type = {Article }, abstract = {Herein, we report the total synthesis of solomonamide A along with its structural revision for the first time. The natural product possesses very potent anti-inflammatory activity, and it contains a macrocyclic peptide having four consecutive stereocenters on an unnatural amino acid component. The key features in the present synthesis include the application of an Evans aldol reaction, ligand-free Heck macrocyclization and chemoselective oxidations. The challenging task of fixing the stereochemistry of OH at the C5-position was accomplished with the help of DFT calculations, applying a quantum-mechanical (QM)/NMR combined approach. Biological evaluation in a mouse paw edema model revealed that a low dose (0.3 mg kg(-1)) of the synthesized solomonamide A showed 74\% reduction at 6 h, which was comparable to a high dose (10 mg kg(-1)) standard drug dexamethasone effect (75\% at 6 h). Thus, we further confirmed the revised structure of solomonamide A.}, issn = {1477-0520}, doi = { 10.1039/c8ob02713g}, author = {Jachak, Gorakhnath R. and Athawale, Paresh R. and Agarwal, Heena and Barthwal, Manoj Kumar and Lauro, Gianluigi and Bifulco, Giuseppe and Reddy, D. Srinivasa} } @article {45351, title = {Total synthesis of (+)-trans- dihydronarciclasine from (+)-7-azabicyclo[2.2.1]heptanone}, journal = {Tetrahedron }, volume = {74}, year = {2018}, month = {SEP}, pages = {5752-5757}, type = {Article}, abstract = {
A concise asymmetric total synthesis of Amaryllidaceae alkaloid (+)-trans-dihydronarciclasine is accomplished starting from optically pure 7-azabicyclo[2.2.1]heptanone scaffold in 13 linear steps. Key features of the strategy include substrate-directed stereoselective installation of the trans B-C ring junction and regioselective Wacker-type internal olefin oxidation to provide a rapid access to all hydroxyl functionalities over the key cyclohexane ring in a stereocontrolled manner. (C) 2018 Elsevier Ltd. All rights reserved.
}, doi = {10.1016/j.tet.2018.08.016}, author = {Pandey, Ganesh and Fernandes, Rushil and Dey, Debasis and Majumder, Binoy} } @article {45420, title = { Tracing the biosynthetic origin of limonoids and their functional groups through stable isotope labeling and inhibition in neem tree (Azadirachta indica) cell suspension}, journal = {BMC Plant Biology}, volume = {18}, year = {2018}, month = {OCT}, type = {Article}, abstract = {Background Neem tree serves as a cornucopia for triterpenoids called limonoids that are of profound interest to humans due to their diverse biological activities. However, the biosynthetic pathway that plant employs for the production of limonoids remains unexplored for this wonder tree. Results Herein, we report the tracing of limonoid biosynthetic pathway through feeding experiments using C-13 isotopologues of glucose in neem cell suspension. Growth and development specific limonoid spectrum of neem seedling and time dependent limonoid biosynthetic characteristics of cell lines were established. Further to understand the role of mevalonic acid (MVA) and methylerythritol phosphate (MEP) pathways in limonoid biosynthesis, Ultra Performance Liquid Chromatography (UPLC)- tandem mass spectrometry based structure-fragment relationship developed for limonoids and their isotopologues have been utilized. Analyses of labeled limonoid extract lead to the identification of signature isoprenoid units involved in azadirachtin and other limonoid biosynthesis, which are found to be formed through mevalonate pathway. This was further confirmed by treatment of cell suspension with mevinolin, a specific inhibitor for MVA pathway, which resulted in drastic decrease in limonoid levels whereas their biosynthesis was unaffected with fosmidomycin mediated plastidial methylerythritol 4-phosphate (MEP) pathway inhibition. This was also conspicuous, as the expression level of genes encoding for the rate-limiting enzyme of MVA pathway, 3-hydroxy-3-methyl-glutaryl-coenzyme A reductase (HMGR) was comparatively higher to that of deoxyxylulose-phosphate synthase (DXS) of MEP pathway in different tissues and also in the in vitro grown cells. Thus, this study will give a comprehensive understanding of limonoid biosynthetic pathway with differential contribution of MVA and MEP pathways. Conclusions Limonoid biosynthesis of neem tree and cell lines have been unraveled through comparative quantification of limonoids with that of neem tree and through C-13 limonoid isotopologues analysis. The undifferentiated cell lines of neem suspension produced a spectrum of C-seco limonoids, similar to parental tissue, kernel. Azadirachtin, a C-seco limonoid is produced in young tender leaves of plant whereas in the hard mature leaves of tree, ring intact limonoid nimocinol accumulates in high level. Furthermore, mevalonate pathway exclusively contributes for isoprene units of limonoids as evidenced through stable isotope labeling and no complementation of MEP pathway was observed with mevalonate pathway dysfunction, using chemical inhibitors.}, isbn = {1471-2229}, doi = {10.1186/s12870-018-1447-6}, author = {Aarthy, Thiagarayaselvam and Mulani, Fayaj A. and Pandreka, Avinash and Kumar, Ashish and Nandikol, Sharvani S. and Haldar, Saikat and Thulasiram, Hirekodathakallu V.} } @article {44183, title = {Tracking HOCl concentrations across cellular organelles in real time using a super resolution microscopy probe}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {FEB}, pages = {1849-1852}, type = {Article}, abstract = {
BODIPY derivative, SF-1, exclusively shows a fluorescence ON response to HOCl and images endogenously generated HOCl in RAW 264.7 macrophages. Widefield and super resolution structured illumination microscopy images confirm localization in the Golgi complex and lysosomes, and hence specifically detects HOCl generated in these organelles. SF-1 is compatible with 3D-SIM imaging of individual cells.
}, issn = {1359-7345}, doi = {10.1039/c7cc09433g}, author = {Ali, Firoj and Aute, Sunil and Sreedharan, Sreejesh and Anila, H. A. and Saeed, Hiwa K. and Smythe, Carl G. and Thomas, Jim A. and Das, Amitava} } @article {44472, title = {Transforming covalent organic framework into thin-film composite membranes for hydrocarbon recovery}, journal = {Separation Science and Technology }, volume = {53}, year = {2018}, month = {APR }, pages = {1752-1759}, type = {Journal Article}, abstract = {We, for the first time, employed chemically stable covalent organic framework (COF) (TpPa-1) as a transport-active phase within the polymer (styrene-butadiene rubber; SBR) matrix to make TpPa-1@SBR thin-film composite (TFC) membranes. Three composite membranes, viz., TpPa-1(30)@SBR, TpPa-1(50)@SBR, and TpPa-1(70)@SBR have been prepared with varying COF content. These membranes were characterized for gas permeance and results were compared with the pristine SBR-based TFC membrane. The fully organic nature of chemically stable COF offered good compatibility with the host polymer matrix (SBR) and resulted into flexible TFC membranes even at 70\% of COF loading; compared to the other porous material (MOFs or Inorganic fillers), it is appreciable.}, keywords = {Covalent organic framework, hydrocarbon recovery, propylene{\textendash}propane, styrene-butadiene rubber, thin film composite}, issn = {1496395}, doi = {10.1080/01496395.2018.1443136}, author = {Biswal, Bishnu P.}, editor = {Kunjattu, Shebeeb H.} } @article {44468, title = {Transition metal free regio-selective C{\textendash}H hydroxylation of chromanones towards the synthesis of hydroxyl-chromanones using PhI(OAc)2 as the oxidant}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {FEB}, pages = {2252-2255}, type = {Journal Article}, abstract = {
The chromanone scaffold is considered as a privileged structure in drug discovery. Herein, we report a highly efficient PhI(OAc)2 mediated regioselective, direct C{\textendash}H hydroxylation of chromanones. This method offers easy access to substituted 6-hydroxy chromanones in moderate to good isolated yields, thus paving the way for their pharmaceutical studies.
}, issn = {13597345}, doi = {10.1039/C7CC08588E}, author = {Viswanadh, N.}, editor = {Ghotekar, Ganesh S.} } @article {44238, title = {Transition-metal-catalyzed reactions involving arynes}, journal = {Synthesis-Stuttgart}, volume = {50}, year = {2018}, month = {JAN}, pages = {1-16}, type = {Article}, abstract = {
The plethora of transformations attainable by the transition-metal-catalyzed reactions of arynes has found immense contemporary interest in the scientific community. This review highlights the scope and importance of transition-metal-catalyzed aryne reactions in the field of synthetic organic chemistry reported to date. It covers transformations achieved by the combination of arynes and various transition metals, which provide a facile access to a biaryl motif, fused polycyclic aromatic compounds, different novel carbocycles, various heterocycles, and complex natural products. 1 Introduction 2 Insertion of Arynes 3 Annulation of Arynes 4 Cycloaddition of Arynes 5 Multicomponent Reactions of Arynes 6 Miscellaneous Reactions of Arynes 7 Total Synthesis of Natural Products Using Arynes 8 Conclusion
}, keywords = {annulation, arynes, Cycloaddition, Insertion, multicomponent, Natural products, Transition Metal}, issn = {0039-7881}, doi = {10.1055/s-0036-1589517}, author = {Dhokale, Ranjeet A. and Mhaske, Santosh B.} } @article {45441, title = {Transport properties of cuinte2 thin films obtained by the electrochemical route}, journal = {Journal of electronic materials}, volume = { 47}, year = {2018}, month = {DEC}, pages = {7099-7105}, type = {Article}, abstract = {uInTe2 (CIT) thin films were potentiostatically electrodeposited onto cadmium sulfide thin films coated on fluorine doped tin oxide (FTO) glass in an aqueous bath at 75 degrees C by the standard three-electrode system at -0.7 V and -0.8 V, with respect to an Ag/AgCl reference electrode. The electrodeposited layers were heat treated at similar to 80 degrees C in air ambient for 60 min. X-ray diffraction pattern and Raman analysis confirmed the formation of chalcopyrite CIT thin films upon heat treatment. The optical band gap of heat treated CIT films was found to be similar to 1.0 eV and 0.95 eV deposited at -0.7 V and -0.8 V, respectively. Compact and good adhesive growth of CIT layers onto CdS coated FTO substrates is confirmed by field emission scanning electron microscopy. The current density-voltage (J-V) and capacitance-voltage (C-V) measurement was studied to understand the electronic quality of material for development of CIT layers for solar cell applications. The current density was found to be increased by two orders of magnitude upon low-temperature heat treatment. The capacitance-voltage measurement showed sharp depletion and accumulation region. The built in potential was found to be similar to 60 mV and 145 mV in the as-deposited samples, deposited at -0.7 V and -0.8 V, respectively, whereas upon heat treatment it shifted to 159 mV and 210 mV. The capacitance of the CIT films was found to be a function of applied bias and increased with increasing the bias voltage. The depletion width of the heat treated sample was found to be similar to 20 nm and 200 nm for the sample deposited at -0.7 V and -0.8 V, respectively. Thus, the sample deposited at -0.8 V shows optimum electronic properties and is found to be suitable for opto-electronic applications.}, issn = {0361-5235}, doi = { 10.1007/s11664-018-6640-8}, author = {Lakhe, Manorama G. and Chaure, Nandu B.} } @article {44625, title = {Triazole-diindolylmethane conjugates as new antitubercular agents: synthesis, bioevaluation, and molecular docking}, journal = {MedChemComm}, volume = {9}, year = {2018}, month = {JUL }, pages = {1114-1130}, abstract = {
We describe the synthesis of novel triazole-incorporated diindolylmethanes (DIMs) using a molecular hybridization approach. The in vitro antitubercular activity of the DIMs against Mycobacterium tuberculosis H37Ra (ATCC 25177) was tested in the active and dormant state. Among all the synthesized conjugates, the compounds 6b, 6f, 6l, 6n, 6q, 6r, and 6s displayed good antitubercular activity against both the active and dormant Mtb H37Ra strain. The compound 6l exhibited good antitubercular activity against dormant Mtb H37Ra with an IC50 value of 1 g mL(-1) and IC90 (MIC) value of 3 g mL(-1). The compounds 6b, 6l, and 6r displayed good antitubercular activity against active Mtb H37Ra with IC50 values of 2.19, 1.52, and 0.22 g mL(-1), respectively. The compounds 6b, 6h, 6l, and 6s displayed more than 70\% inhibition against the Gram-positive Bacillus subtilus strain at 3 g mL(-1). The molecular docking study showed the binding modes of the titled compounds in the active site of the DprE1 enzyme and assisted with elucidating a structural basis for the inhibition of Mycobacteria.
}, issn = {2040-2503}, doi = {10.1039/c8md00055g}, author = {Danne, Ashruba B. and Choudhari, Amit S. and Chakraborty, Shakti and Sarkar, Dhiman and Khedkar, Vijay M. and Shingate, Bapurao B.} } @article {44467, title = {Triflic acid-catalyzed metal-free synthesis of (E)-2-cyanoacrylamides and 3-substituted azetidine-2,4-diones}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {MAR}, pages = {6433-6440}, type = {Journal Article}, abstract = {
A TfOH-catalyzed highly efficient synthesis of biologically active (E)-2-cyanoacrylamides and 3-substituted azetidine-2,4-diones has been reported with 64{\textendash}94\% yields under metal-free conditions. The reaction proceeds through sequential Knoevenagel condensation/stereoselective in situ monohydration of nitrile or C{\textendash}N cyclization protocol in one-pot. The attractive features of this tandem process are moderate reaction conditions, high atom economy, broad substrate scope, gram-scale reaction and ease of operation.
}, doi = {10.1039/C7NJ05169G}, author = {Rupanwar, Bapurao D. and Chavan, Santosh S. and Shelke, Anil M. and Suryavanshi, Gurunath M.} } @article {44463, title = {Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera}, journal = {Insect Biochemistry and Molecular Biology }, volume = {95}, year = {2018}, month = {APR }, pages = {17-25}, type = {Journal Article}, abstract = {
Potato type II protease inhibitors (Pin-II PIs) impede the growth of lepidopteran insects by inhibiting serine protease-like enzymes in the larval gut. The three amino acid reactive centre loop (RCL) of these proteinaceous inhibitors is crucial for protease binding and is conserved across the Pin-II family. However, the molecular mechanism and inhibitory potential of the RCL tripeptides in isolation of the native protein has remained elusive. In this study, six peptides corresponding to the RCLs of the predominant Pin-II PIs were identified, synthesized and evaluated for in vitro and in vivo inhibitory activity against serine proteases of the polyphagous insect, Helicoverpa armigera. RCL peptides with sequences PRN, PRY and TRE were found to be potent inhibitors that adversely affected the growth and development of H. armigera. The binding mechanism and differential affinity of the RCL peptides with serine proteases was delineated by crystal structures of complexes of the RCL peptides with trypsin. Residues P1 and P2 of the inhibitors play a crucial role in the interaction and specificity of these inhibitors. Important features of RCL peptides like higher inhibition of insect proteases, enhanced efficacy at alkaline gut pH, longer retention and high stability in insect gut make them suitable molecules for the development of sustainable pest management strategies for crop protection.
}, keywords = {Helicoverpa armigera, Protease, protease inhibitor, Reactive centre loop peptides}, issn = {9651748}, doi = {10.1016/j.ibmb.2018.02.001}, author = {Saikhedkar, Nidhi S. and Joshi, Rakesh S. and Bhoite, Ashwini S. and Mohandasan, Radhika and Yadav, Amit Kumar and Giri, Ashok P.} } @article {44455, title = {Tris-hydroxymethylaminomethane (THAM): An efficient organocatalyst in diversity-oriented and environmentally benign synthesis of spirochromenes}, journal = {Comptes Rendus Chimie}, volume = {21}, year = {2018}, month = {JUN }, pages = {814-821}, type = {Article}, abstract = {
Tris-hydroxymethylaminomethane has been demonstrated to be an efficient organocatalyst in diversity-oriented synthesis of medicinally prevalent spirochromenes by one-pot, three-component reactions between isatins, malononitrile, and enolizable CH acids like dimedone, 4-hydroxycoumarin, 4-hydroxy-N-methylquinolin-2-one, or in situ generated 2-methylpyrazolon-2-one. Biodegradability and extremely low cost of the catalyst are the noteworthy features of this chromatography-free protocol.
}, keywords = {green chemistry, Multicomponent synthesis, organocatalysis, Spirochromenes, Tris-hydroxymethylaminomethane}, issn = {16310748}, doi = {10.1016/j.crci.2018.05.005}, author = {Khot, Supriya S. and Anbhule, Prashant V. and Desai, Uday V. and Wadgaonkar, Prakash P.} } @article {45467, title = {Tuning controlled release behavior of starch granules using nanofibrillated cellulose derived from waste sugarcane bagasse}, journal = { ACS Sustainable Chemistry \& Engineering }, volume = {6}, year = {2018}, month = {JUL}, pages = { 9208-9217}, type = {Article}, abstract = {Controlled release formulations help to encapsulate agrochemicals and deliver at a sustained rate. Growing environmental challenges have increased the need for controlled release systems based on sustainable feed-stocks. To this end, we report here the preparation and properties of a monolith-type controlled release granular formulation based on two ubiquitous biopolymers, starch and cellulose. Cellulose nanofibers (CNFs) derived from waste sugarcane bagasse were mixed with gelatinized maize starch and urea formaldehyde to yield nanocomposite granular formulation. Dimethyl phthalate (DMP) was used as model encapsulant. The morphology of CNFs and CNFreinforced starch granules was characterized by transmission electron microscopy, scanning electron microscopy, BET porosimetry, and X-ray tomography. Incorporation of only 2-4 wt \% CNFs led to a significant reduction in porosity as compared to that for neat starch granules, while the water uptake was enhanced by 20-30\%. Reinforcing starch with CNFs led to a significant reduction in initial release rate and yet higher overall release of DMP, thereby allowing effective utilization of entrapped chemicals. This interesting release behavior could be attributed to two competing factors, water uptake-induced diffusion and barrier effects rendered by nanocellulose network.}, issn = { 2168-0485}, doi = {10.1021/acssuschemeng.8b01545}, author = {Patil, Mayur D. and Patil, Vishal D. and Sapre, Aditya A. and Ambone, Tushar S. and Torris, Arun A. T. and Shukla, Parshuram G. and Shanmuganathan, Kadhiravan} } @article {44450, title = {Tuning of terahertz resonances of pyridyl benzamide derivatives by electronegative atom substitution}, journal = {Journal of Infrared, Millimeter, and Terahertz Waves}, volume = {39}, year = {2018}, month = {JUL}, pages = {636{\textendash}650}, type = {Journal Article}, abstract = {
N-(pyridin-2-yl) benzamide (Ph2AP)-based organic molecules with prominent terahertz (THz) signatures (less than 5 THz) have been synthesized. The THz resonances are tuned by substituting the most electronegative atom, fluorine, at ortho (2F-Ph2AP), meta (3F-Ph2AP), and para (4F-Ph2AP) positions in a Ph2AP molecule. Substitution of fluorine helps in varying the charge distribution of the atoms forming hydrogen bond and hence strength of the hydrogen bond is varied which helps in tuning the THz resonances. The tuning of lower THz resonances of 2F-Ph2AP, 3F-Ph2AP, and 4F-Ph2AP has been explained in terms of compliance constant (relaxed force constant). Four-molecule cluster simulations have been carried out using Gaussian09 software to calculate the compliance constant of the hydrogen bonds. Crystal structure simulations of the above molecules using CRYSTAL14 software have been carried out to understand the origin of THz resonances. It has been observed that THz resonances are shifted to higher frequencies with stronger hydrogen bonds. The study shows that 3F-Ph2AP and 4F-Ph2AP have higher hydrogen bond strength and hence the THz resonances originating due to stretching of intermolecular hydrogen bonds have been shifted to higher frequencies compared to 2F-Ph2AP. The methodology presented here will help in designing novel organic molecules by substituting various electronegative atoms in order to achieve prominent THz resonances.
}, keywords = {Compliance constant, Density functional theory, Ph2AP molecule, Terahertz spectroscopy}, issn = {18666892}, doi = {10.1007/s10762-018-0500-8}, author = {Dash, Jyotirmayee}, editor = {Ray, Shaumik} } @article {45437, title = {Tuning the basicity of Cu-based mixed oxide catalysts towards the efficient conversion of glycerol to glycerol carbonate}, journal = {Molecular catalysis}, volume = {460}, year = {2018}, month = {DEC}, pages = {53-62}, type = {Article}, abstract = {A series of efficient and robust Cu based mixed oxides were synthesized by a simple co-precipitation method and utilized for the production of glycerol carbonate (GC) via transesterification of glycerol with dimethyl carbonate (DMC). The synthesized materials were characterized using XRD, UV-vis spectroscopy, SEM, TEM, N-2 sorption, CO2-TPD, and XPS. The addition of Cu on Mg/Al mixed oxides exhibits significant changes in its physicochemical properties and catalytic activity. The obtained mixed oxides showed remarkably high transesterification activity towards the efficient conversion of glycerol to GC under economical reaction conditions without using any solvent. Among all the catalysts employed, highest catalytic activity was observed over MAC-0.6 catalyst with glycerol conversion of 96.4\% and GC yield of 91.2\%. The improved catalytic performance was observed mainly due to the optimized catalyst molar ratio and strong surface basicity. The strong surface basic sites were greatly attributed to the incorporation of Cu2+ cations in the MgAl (O) periclase that efficiently catalyzed the transesterification of glycerol with DMC. Furthermore, the reported catalyst was robust and could be recycled for more than five times without any significant loss in its catalytic activity.}, issn = {2468-8231}, doi = {10.1016/j.mcat.2018.09.002}, author = {Manikandan, Marimuthu and Prabu, Marimuthu and Kumar, S. K. Ashok and Sangeetha, Palanivelu and Vijayaraghavan, Rajagopalan} } @article {44447, title = {Tuning the dimensionality of layered Srn+1Tin-xNixO3n+1 perovskite structures for improved activity in syngas generation}, journal = {Journal of Catalysis}, volume = {360}, year = {2018}, month = {APR }, pages = {27-39}, type = {Journal Article}, abstract = {
Interest in perovskite type oxides is growing due to their versatile catalytic applications. A series of Ruddlesden-Popper (RP) type layered perovskite oxides Srn+1Tin-xNixO3n+1 were prepared and evaluated for their catalytic activity in steam reforming, CO2 reforming and bi-reforming of methane. These materials, prepared through citrate gel method were characterized to understand their structure and Ni reducibility. Substitution of Ni in RP phases was established through refinement of XRD powder pattern. During methane reforming, the catalytic activity increased with the order of RP phase of SrTi1-xNixO3-δ (n = $\infty$). TPR results show variation in Ni reducibility with the order of RP phase, while TPD-O2 study helped to estimate oxygen vacancies. These vacancies seem to influence catalytic activity during methane reforming. Transient pulse experiments show that CO2 dissociates over oxygen vacancies to give CO and oxygen, with later replenishing lattice oxygen in SrTi0.8Ni0.2O3-δ (n = $\infty$) phases. Highly labile oxygen vacancies generated in the bulk of SrTi0.8Ni0.2O3-δ must be migrating to the surface, helping in the removal of coke formed. Characterization of catalysts after reaction helped in better understanding of coke precursors.
}, keywords = {Dry reforming, NickelSyngas, Ruddlesden-Popper (RP) perovskites, Steam reforming}, issn = {219517}, doi = {10.1016/j.jcat.2018.01.015}, author = {Dama, Srikanth}, editor = {Ghodke, Seema} } @article {45374, title = { Twelve-armed hexaphenylbenzene-based giant supramolecular framework for entrapping guest molecules}, journal = {ChemPlusChem}, volume = {83}, year = {2018}, month = {NOV}, pages = {1032-1037}, type = {Article}, abstract = {
Host-guest chemistry is a functional model in supramolecular chemistry for understanding specific process occurring in biological systems. Herein, we describe a rationally designed giant multiarmed hexaphenylbenzene (HPB)-based supramolecular frameworks which encapsulate a variety of guest molecules in the voids of their crystal lattice through the cooperative interplay of multivalency, noncovalent forces and backbone rigidity. In this connection, pseudo-axially substituted twelve-armed hexaphenylbenzene was synthesized and its molecular entrapping nature was studied by varying number of H-bond donor-acceptor sites in the arms. The per-methyl esterified HPB acted as a cavitand to include nonpolar and polar aprotic guests in its crystal structure via C-H center dot center dot center dot pi, C-H center dot center dot center dot O and C-H center dot center dot center dot N interactions. The corresponding amidated HPB showed unprecedented inclusion of ammonia and segregation of the guest molecules according to their polarity in the lattice. Furthermore, this molecular entrapping system has been used to obtain the crystal structure of a hitherto unproven 2-azaallenium intermediate, which had been proposed to be involved in aminomethylation of activated arenes.
}, issn = { 2192-6506}, doi = {10.1002/cplu.201800478}, author = {Madhu, Suresh and Gonnade, Rajesh G. and Das, Tamal and Vanka, Kumar and Sanjayan, Gangadhar J.} } @article {44442, title = {Two stereocentered HKR of anti-β,β'-diphenylpropanoxirane and anti-3-phenylethyloxiranes catalysed by Co(III)(salen)-OAc complex: enantioselective synthesis of (+)-sertraline and (+)-naproxen}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {May 2018}, pages = {10414-10420}, type = {Journal Article}, abstract = {
The Co(III)(salen)OAc-catalyzed two stereocentered hydrolytic kinetic resolution (HKR) of anti-β,β'-diphenylmethyloxirane and anti-3-phenylethyloxiranes affords the corresponding anti-1,2-diols and oxiranes in high enantiomeric excess. The synthetic potential of this methodology is demonstrated by the enantioselective synthesis of (+)-sertraline, an antidepressant drug, and (+)-naproxen, an anti-inflammatory drug.
}, issn = {11440546}, doi = {10.1039/c8nj01616j}, author = {Kamble, Rohit B.}, editor = {Devalankar, Dattatraya} } @article {45456, title = {Ultrasound assisted synthesis of 4-(Benzyloxy)-N-(3-chloro-2-(substitutedphenyl)-4-oxoazetidin-1-yl) benzamide as challenging anti-tubercular scaffold}, journal = { Molecules}, volume = {23}, year = {2018}, month = {AUG}, pages = {Article No: 1945}, type = {Article}, abstract = {
A series of ten novel derivatives of 4-(benzyloxy)-N-(3-chloro-2-(substituted phenyl)-4-oxoazetidin-1-yl) benzamide 6a-j were synthesized in good yield from the key compound 4-(benzyloxy)-N-(substituted benzylidene) benzo hydrazide, called Schiff {\textquoteleft}s bases 5a-j, by Staudinger reaction ([2 + 2] ketene-imine cycloaddition reaction) with chloro acetyl chloride in the presence of catalyst tri ethylamine and solvent dimethyl formamide (DMF), by using ultra-sonication as one of the green chemistry tools. All the synthesised compounds were evaluated for in vitro anti-tubercular activity against Mycobacterium tuberculosis (MTB) and most of them showed promising activity with an IC50 value of less than 1 mu g/mL. To establish the safety, all the synthesized compounds were further tested for cytotoxicity against the human cancer cell line HeLa and all 6a-j compounds were found to be non-cytotoxic in nature. The molecular docking study was carried out with essential enzyme InhA (FabI/ENR) of Mycobacterium responsible for cell wall synthesis which suggests that 6a and 6e are the most active derivatives of the series. The theoretical evaluation of cell permeability based on Lipinski{\textquoteright}s rule of five has helped to rationalize the biological results and hence the synthesized azetidinone derivatives 6a-j were also analyzed for physicochemical evaluation that is, absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties and the results showed that all the derivatives could comply with essential features required for a potential lead in the anti-tubercular drug discovery process.
}, keywords = {ADMET study, anti-tubercular screening, azetidinone, cytotoxicity study, green chemistry, Molecular docking, ultra-sonication}, issn = {1420-3049}, doi = {10.3390/molecules23081945}, author = {Nimbalkar, Urja D. and Seijas, Julio A. and Borkute, Rachna and Damale, Manoj G. and Sangshetti, Jaiprakash N. and Sarkar, Dhiman and Nikalje, Anna Pratima G.} } @article {44375, title = {Ultrastable imine-based covalent organic frameworks for sulfuric acid recovery: an effect of interlayer hydrogen bonding}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {MAY}, pages = {5797-5802}, abstract = {A rapid and scalable synthesis of six new imine-linked highly porous and crystalline COFs is presented that feature exceptionally high chemical stability in harsh environments including conc. H2SO4 (18M), conc. HCl (12M), and NaOH (9M). This is because of the presence of strong interlayer C-H center dot center dot center dot N hydrogen bonding among the individual layers, which provides significant steric hindrance and a hydrophobic environment around the imine (-C=N-) bonds, thus preventing their hydrolysis in such an abrasive environment. These COFs were further converted into porous, crystalline, self-standing, and crack-free COF membranes (COFMs) with extremely high chemical stability for their potential applications for sulfuric acid recovery. The as-synthesized COFMs exhibit unprecedented permeance for acetonitrile (280 Lm(-2) h(-1) bar(-1)) and acetone (260 Lm(-2) h(-1) bar(-1)).}, doi = {10.1002/anie.201802220}, author = {Halder, Arjun and Karak, Suvendu and Addicoat, Matthew and Bera, Saibal and Chakraborty, Amit and Kunjattu, Shebeeb H. and Pachfule, Pradip and Heine, Thomas and Banerjee, Rahul} } @article {45429, title = {Understanding conformational dynamics of complex lipid mixtures relevant to biology}, journal = {Journal of membrane biology}, volume = {251}, year = {2018}, month = {DEC}, pages = {609-631}, type = {Article}, abstract = {This is a perspective article entitled "Frontiers in computational biophysics: understanding conformational dynamics of complex lipid mixtures relevant to biology" which is following a CECAM meeting with the same name.}, issn = {0022-2631 }, doi = {10.1007/s00232-018-0050-y}, author = {Friedman, Ran and Khalid, Syma and Aponte-Santamaria, Camilo and Arutyunova, Elena and Becker, Marlon and Boyd, Kevin J. and Christensen, Mikkel and Coimbra, Joao T. S. and Concilio, Simona and Daday, Csaba and van Eerden, Floris J. and Fernandes, Pedro A. and Graeter, Frauke and Hakobyan, Davit and Heuer, Andreas and Karathanou, Konstantina and Keller, Fabian and Lemieux, M. Joanne and Marrink, Siewert J. and May, Eric R. and Mazumdar, Antara and Naftalin, Richard and Pickholz, Monica and Piotto, Stefano and Pohl, Peter and Quinn, Peter and Ramos, Maria J. and Schiott, Birgit and Sengupta, Durba and Sessa, Lucia and Vanni, Stefano and Zeppelin, Talia and Zoni, Valeria and Bondar, Ana-Nicoleta and Domene, Carmen} } @article {44352, title = {Understanding interactions between lignin and ionic liquids with experimental and theoretical studies during catalytic depolymerisation}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {98-108}, type = {Article}, abstract = {Compared to H2SO4, Bronsted acidic ionic liquid (BAIL, [C3SO3HMIM][HSO4]) catalyzed depolymerization of lignin yielded higher concentration of low molecular weight products under mild conditions (120 degrees C) as proven by GC and GC-MS. To comprehend this disparity in catalytic activity among H2SO4 and BAIL (at similar H+ concentration), experimental techniques [1D(H-1) NMR, 2D(N-15/H-1 HMBC) NMR and RAMAN] have been employed. Based on these studies, it has been proven that the transfer of electron density from substrate to the electron deficient imidazolium ring via formation of hydrogen bond between -OH/OCH3 (substrate) and -N1C2H2N3-(cation) is possible, while the anion plays an important role. Further, density functional theory (DFT) calculations also corroborated this fact by showing a change in the bond angle and decrease in bond length (C-2-H-2 in imidazole), due to the presence of weak and strong hydrogen bonding between the substrate and IL.}, doi = {10.1016/j.cattod.2017.09.050}, author = {Singh, Sandip Kumar and Banerjee, Subhrashis and Vanka, Kumar and Dhepe, Paresh Laxmikant} } @article {44384, title = {Unravelling the nucleophilicity of buten tides for 1,6-conjugate addition to p-quinone methides: a direct access to diversely substituted butenolide-derived diarylmethanes}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {MAY}, pages = {2787-2791}, abstract = {A Lewis acid catalyzed regioselective C-C bond is constructed through beta-addition of deconjugated butenolides with p-quinone methides in a 1,6-conjugate addition manner. Interestingly, Lewis acid catalyzed vinylogous Mukaiyama-Michael reaction of silyloxyfurans with p-QMs proceeds selectively through the alpha or gamma position exclusively. The reaction is mild with broad substrate scope, thus allowing easy access to a wide range of bis-arylated alpha-/beta-/gamma-substituted butenolides.}, doi = {10.1021/acs.orglett.8b00745}, author = {Sharma, Brijesh M. and Shinde, Dinesh R. and Jain, Ruchi and Begari, Eeshwaraiah and Satbhaiya, Shruti and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {44439, title = {Untapped bacterial diversity and metabolic potential within Unkeshwar hot springs, India}, journal = {Archives of Microbiology}, volume = {200}, year = {2018}, month = {JUL }, pages = {753-770}, type = {Journal Article}, abstract = {
Hot springs support diverse and interesting groups of microorganisms adapted to extreme conditions and gaining attention in biotechnological applications. However, due to limitations of cultivation methods, a majority of such extremophiles remain uncultivated and unexplored. The advent of multiple cultivation conditions and specialized culture media could possibly aid to access the unexplored microbial portion of hot springs. In the present study, different media and isolation strategies were applied to isolate hitherto unexplored bacterial taxa in the water samples collected from Unkeshwar hot springs, India. Molecular, phylogenetic and predictive functional characterization of the isolated bacterial population was done using 16S rRNA sequencing coupled with Tax4Fun tools. Furthermore, representative isolates were screened for important enzymes (cellulase, xylanase, amylase, and protease) and heavy metal tolerance (chromium, arsenic) properties. A total of 454 bacterial isolates obtained were mapped into 57 unique bacterial genera and 4 different bacterial phyla. Interestingly, 37 genera not previously isolated from Indian hot springs, were isolated for the first time in the present study. However, most of these genera (23 out of 37) were reported only in metagenomics studies from Indian and global hot springs. Furthermore, around 14 genera not previously cultivated and not detected in metagenomics studies of hot springs are documented here. The metabolic potential was ascertained by determining the abundance of specific genes using in silico based Tax4Fun tool, which identified around 315 metabolic pathways for metabolism of carbohydrates, synthesis of secondary metabolites and degradation of xenobiotic compounds. Bioprospection study revealed that 33 and 25 bacterial genera were positive for enzyme production and resistance to the heavy metals, respectively. The present study revealed the advantages of cultivation methods using a comprehensive multiple isolation approach for exploring untapped and unique bacterial diversity, and also utilities for various biotechnological and environmental applications.
}, keywords = {Bacterial diversity, Bioprospecting, Cultivation, Heavy metals, Untapped}, issn = {3028933}, doi = {10.1007/s00203-018-1484-4}, author = {Mehetre, Gajanan T.}, editor = {Shah, Manan} } @article {45596, title = {Use of enzymes as tools in industrial processes.}, journal = {Recent patents on biotechnology}, volume = {12}, year = {2018}, pages = {297-298}, type = {Article}, doi = {10.2174/187220831204181221102552}, author = {Gokhale, D.V.} } @article {44434, title = {Vanadium-based polyoxometalate complex as a new and efficient catalyst for phenol hydroxylation under mild conditions}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {APR}, pages = {5142-5152}, type = {Article}, abstract = {
An eco-compatible catalytic protocol for H2O2 induced hydroxylation of phenol (PH) to catechol (CT) and hydroquinone (HQ) in aqueous medium, using a polyoxovanadate (POV) complex as the catalyst, is described. The synthesis of the POV catalyst, with a new type of three dimensional framework, Na6(H2O)22(V10O28)2H2O (1) was accomplished by establishing a non-hydrothermal one-step methodology under mild conditions. The catalyst was characterized by elemental analysis, spectral studies, single crystal X-ray diffraction studies, and Brunauer{\textendash}Emmett{\textendash}Teller (BET) and TGA analysis. Under optimum conditions of reaction, conducted at ambient temperature, the phenol conversion reached up to 55.4\% providing a TON of 138. The catalyst could be recovered easily and recycled at least up to three cycles without significant change in activity. The developed methodology is operationally simple and free from halogenated solvents or any other hazardous additives.
}, issn = {11440546}, doi = { 10.1039/c7nj04433j}, author = {Sharma, Mitu and Saikia, Gangutri and Ahmed, Kabirun and Gogoi, Sandhya Rani and Puranik, Vedavati G. and Islam, Nashreen S.} } @article {45503, title = {Vapour{\textendash}liquid equilibrium study of binary mixtures of aniline with isopropanol, n -butanol and ethylene glycol at the local atmospheric pressure}, journal = {Indian Chemical Engineer}, year = {2018}, month = {OCT}, type = {Article}, abstract = {The present work analyses the vapour{\textendash}liquid equilibrium (VLE) behaviour of the binary systems of aniline with isopropanol, n-butanol and ethylene glycol. The isobaric VLE data have been generated at the local atmospheric pressure of 96.15 kPa for all the binary systems of aniline. A dynamic type vapour{\textendash}liquid circulating VLE still was used for generating the data. Calibration curves were generated using mole fraction and refractive index data for all pairs for composition measurement. The VLE data, generated in T-x,y form for all pairs, were found thermodynamically consistent through the Herington area test and the mean absolute deviation test. Activity coefficient models, Wilson, NRTL and UNIQUAC, were fitted to the data to estimate binary interaction parameters using an objective function of minimising the deviation between the experimental and the calculated total pressure and vapour composition. The experimental data were compared with the model predictions with the estimated parameters and the model predictions were found appropriate. The binary system of aniline and ethylene glycol was found to exhibit azeotropic behaviour at 0.61 mole fraction aniline and 445.1 K.}, doi = {10.1080/00194506.2018.1529634}, author = {Mali, P.K. and Mali, N.A. and Yadav, S.S. and Joshi, S.S.} } @article {44623, title = {Visible light mediated desilylative C(sp(2))-C(sp(2)) cross-coupling reactions of arylsilanes with aryldiazonium salts under Au(i)/Au(iii) catalysis}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JUL}, pages = {7223-7226}, abstract = {
Desilylative C(sp(2))-C(sp(2)) cross-coupling reactions of arylsilanes with aryldiazonium salts under Au(i)/photoredox catalysis have been reported. The addition of Cu-salts as catalysts was found to be crucial for the success of this transformation.
}, issn = {1359-7345}, doi = {10.1039/c8cc03925a}, author = {Chakrabarty, Indradweep and Akram, Manjur O. and Biswas, Suprakash and Patil, Nitin T.} } @article {44369, title = {Visible-light-mediated eosin Y photoredox-catalyzed vicinal thioamination of alkynes: radical cascade annulation strategy for 2-substituted-3-sulfenylindoles}, journal = {European Journal of Organic Chemistry}, year = {2018}, month = {MAY}, pages = {2117-2121}, type = {Article}, abstract = {An organic dye photoredox-catalyzed regiospecific radical cascade annulation strategy of 2-alkynyl-azidoarenes to generate 3-sulfenylindoles via vicinal thioamination of alkynes at room temperature, mediated by visible light, was developed. The method requires mild conditions, including visible light as a traceless green energy source, room temperature, eosin Y organic dye as a photoredox catalyst, ambient air as oxidant, and easily available starting materials to provide a green, efficient, metal- and strong-oxidant-free synthesis of 3-sulfenylindoles with broad substrate scope through vicinal thioamination of alkynes.}, doi = {10.1002/ejoc.201800287}, author = {Tambe, Shrikant D. and Rohokale, Rajendra S. and Kshirsagar, Umesh A.} } @article {44207, title = {Water induced morphological transformation of a poly(aryl ether) dendron amphiphile: helical fibers to nanorods, as light-harvesting antenna systems}, journal = {Nanoscale}, volume = {10}, year = {2018}, month = {JAN}, pages = {1464-1473}, type = {Article}, abstract = {
Self-assembly of suitable molecular building blocks is an efficient and convenient approach to generate nanomaterials with various morphologies and functions. Moreover, understanding the nature of molecules and controlling factors of their self-assembly process is crucial in fundamental aspects of molecular self-assembly which provide insights into the design of new assemblies with functional nano-architectures. To this end, the present study reports water induced self-assembled multifaceted morphology formation and the plausible pathway of the morphology transformation of a single poly(aryl ether) dendron amphiphile 1(D). In THF, 1(D) self-assembles into helical fibers. However, with an increase in the water fraction in its THF solution, the morphology changes to nanorods through an intermediate scroll-up pathway of exfoliated fibers. The nanorod formation and transformation of 1(D) are investigated using various microscopy and spectroscopy techniques, which indicate that it has highly ordered multilayered arrays of 1(D) molecules. Finally, these multilayered arrays of 1(D) nanorods are exploited for constructing a model light-harvesting system via the incorporation of small quantities of two newly designed BODIPY based molecules as energy acceptors and 1(D) as an antenna chromophore.
}, issn = {2040-3364}, doi = {10.1039/c7nr07663k}, author = {Maity, Arunava and Dey, Ananta and Gangopadhyay, Monalisa and Das, Amitava} } @article {44425, title = {Water mediated proton conductance in a hydrogen-bonded Ni(II)-bipyridine-glycoluril chloride self-assembled framework}, journal = {CrystEngComm}, volume = {20}, year = {2018}, month = {JAN}, pages = {1094-1100}, type = {Journal Article}, abstract = {

Proton conducting properties have been investigated in a new Ni(II)-based hydrogen-bonded porous framework synthesized using a urea-fused bipyridine-glycoluril (BPG) tecton. This hydrogen-bonded self-assembled structure encapsulates water molecules in the channels with hydrogen-bonding networks which exhibits a significant temperature dependent proton conductance of 1.5 \× 10\−4\ S cm\−1\ at 95 \°C and 95\% RH with a low activation energy (Ea) of 0.54 eV, implying a Grotthuss proton hopping mechanism mediated by hydrogen-bonded water molecules in the channels. In addition, this framework exhibited a very high water uptake under humid conditions. A continuous array of water molecules and chloride ions embedded in the highly hydrophilic porous channels of the hydrogen-bonded framework acts as the proton conducting medium.

\

\
}, issn = {14668033}, doi = {10.1039/c7ce01814b}, author = {Tayade, Sakharam B. and Bhat, Satish S. and Illathvalappil, Rajith and Dhavale, Vishal M. and Kawade,Vitthal A. and Kumbhar, Avinash S. and Kurungot, Sreekumar and N{\"a}ther, Christian} } @article {45449, title = {Water-in-acid gel polymer electrolyte realized through a phosphoric acid-enriched polyelectrolyte matrix toward solid-state supercapacitors}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {6}, year = {2018}, month = {OCT}, pages = {12630-12640}, type = {Article}, abstract = {A new concept of water-in-acid gel polymer electrolytes (GPEs) is introduced. The simple and scalable UV-light-assisted synthesis of a copolymer matrix possessing polyelectrolyte behavior, followed by swelling in minimally diluted H3PO4 (15.1 M/88 wt \% aqueous solution), effects formation of a high proton-conducting, self-standing, and mechanically stable polyelectrolyte GPE (PGPE). Retention of high mechanical stability despite the presence of a large amount of liquid species makes it a promising candidate for replacing conventional GPEs. The high proton conductivity (9.8 X 10(-2) S cm(-1)) of the PGPE at an ambient temperature of 303 K is attributed to the high concentration of the conducting species present in the polymer matrix. The PGPE-based polyaniline (PANI) supercapacitor device (PANI-1) with a mass loading of 1 mg cm(-2) exhibits a high specific gravimetric capacitance of 385 F g(-1) at a current density of 0.25 mA cm(-2). At the same current density, the PANI-5 device retains high gravimetric and areal capacitance values of 258 F g(-1) and 1288 mF cm(-2), respectively. The low equivalent series resistance value of 0.78 Omega (for the PANI-5 device) further proves the excellent electrode-electrolyte interface formed by the water-in-acid GPE. A 100\% capacitance retention even after 9000 continuous charge-discharge cycles strongly indicates the feasibility of adopting water-in-acid GPEs in future supercapacitors.}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.8b01175}, author = {Vijayakumar, Vidyanand and Ghosh, Meena and Torris, Arun A. T. and Chandran, Nikhil M. K. and Nair, Sanoop B. and Badiger, Manohar V. and Kurungot, Sreekumar} } @article {45461, title = { Wet chemical synthesis of metal oxide nanoparticles: a review}, journal = {Crystengcomm}, volume = { 20 }, year = {2018}, month = {SEP}, pages = {5091-5107}, type = {Article}, abstract = {Metal oxide nanoparticles are an important class of nanomaterials that have found several applications in science and technology. Through wet chemical synthesis, it is possible to achieve selective surface structures, phases, shapes, and sizes of metal oxide nanoparticles, leading to a set of desired properties. Wet chemical synthesis routes allow fine tuning of the reaction conditions (temperature, concentration of substrate, additives or surfactants, pH, etc.) to afford the desired nanomaterials. In this review article, we highlight recent developments in the wet chemical synthesis of metal oxide nanoparticles to provide great control over the quality of the obtained nanomaterials. The review critically evaluates the different wet chemical methods for scalable production of metal oxide nanoparticles to satisfy the growing industrial demand for nanomaterials. Special attention is paid to continuous flow synthesis of metal oxide nanoparticles.}, doi = {10.1039/c8ce00487k}, author = {Nikam, A. V. and Bhagavatula L. V. Prasad and Kulkarni, A. A.} } @article {44558, title = {What drives the H-abstraction reaction in bio-mimetic oxoiron-bTAML complexes? A computational investigation}, journal = {Physical Chemistry and Chemical Physics}, volume = {20}, year = {2018}, month = {APR }, pages = {13845-13850 }, type = {Journal Article}, abstract = {Monomeric iron-oxo units have been confirmed as intermediates involved in the C{\textendash}H bond activation in various metallo-enzymes. Biomimetic oxoiron complexes of the biuret modified tetra-amido macrocyclic ligand (bTAML) have been demonstrated to oxidize a wide variety of unactivated C{\textendash}H bonds. In the current work, density functional theory (DFT) has been employed to investigate the hydrogen abstraction (HAT) reactivity differences across a series of bTAML complexes. The cause for the differences in the HAT energy barriers has been found to be the relative changes in the energy of the frontier molecular orbitals (FMOs) induced by electronic perturbation.}, issn = {14639076}, doi = {10.1039/C8CP01333K}, author = {Mukherjee, Anagh}, editor = {Pattanayak, Santanu} } @article {44610, title = {WRKY1 acts as a key component improving resistance against Alternaria solani in wild tomato, Solanum arcanum Peralta}, journal = {Plant Biotechnology Journal }, volume = {16}, year = {2018}, month = {AUG}, pages = {1502-1513}, abstract = {
Early blight (EB), caused by Alternaria solani, is a major threat to global tomato production. In comparison with cultivated tomato (Solanum lycopersicum), a wild relative, S.arcanum exhibits strong resistance against EB. However, molecular cascades operating during EB resistance in wild or cultivated tomato plants are largely obscure. Here, we provide novel insight into spatio-temporal molecular events in S.arcanum against A.solani. Transcriptome and co-expression analysis presented 33-WRKYs as promising candidates of which 12 SaWRKYs displayed differential expression patterns in resistant and susceptible accessions during EB disease progression. Among these, SaWRKY1 exhibited induced expression with significant modulation in xyloglucan endotrans hydrolase 5 (XTH5) and MYB2 expressions that correlated with the disease phenotypes. Electro-mobility shift assay confirmed physical interaction of recombinant SaWRKY1 to SaXTH5 and SaMYB2 promoters. Comparative WRKY1 promoter analysis between resistant and susceptible plants revealed the presence of crucial motifs for defence mechanism exclusively in resistant accession. Additionally, many defence-related genes displayed significant expression variations in both the accessions. Further, WRKY1 overexpressing transgenic plants exhibited higher levels of EB resistance while RNAi silencing lines had increased susceptibility to A.solani with altered expression of XTH5 and MYB2. Overall, these findings demonstrate the positive influence of WRKY1 in improving EB resistance in wild tomato and this could be further utilized as a potential target through genetic engineering to augment protection against A.solani in crop plants.
}, keywords = {Alternaria solani, early blight, Solanum arcanum, Tomato, WRKY1, XTH5}, issn = {1467-7644}, doi = {10.1111/pbi.12892}, author = {Shinde, Balkrishna A. and Dholakia, Bhushan B. and Hussain, Khalid and Aharoni, Asaph and Giri, Ashok P. and Kamble, Avinash C.} } @article {44210, title = {X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN}, pages = {1078-1086}, type = {Article}, abstract = {
Diastereomeric {\textquoteleft}2RS, 4R{\textquoteright}-2-arylthiazolidine-4-carboxylic acids (ATCAs) were synthesized and their resolution to chiraly pure N-BOC derivatives was attempted by column chromatography. The absolute stereochemistry of the resolved compounds was ascertained by X-ray single crystal structures. Further application of the synthesized compounds was studied for their in vitro anti-breast cancer activity against MCF7 cell line using DOX as a standard by MTT assay method. Cell morphology analysis was carried out by fluorescence microscopy. The compounds containing {\textquoteleft}2S{\textquoteright} absolute configuration in thiazolidine ring and presence of 2-NO2, 2,6-Cl groups on {\textquoteleft}2R{\textquoteright}-aryl substituent showed significant antibreast cancer activity where some of the compounds were found to be more active than DOX in terms of induced apoptosis mode of MCF7 cell death.
}, issn = {1144-0546}, doi = {10.1039/c7nj02961f}, author = {Jagtap, Rohidas M. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Khan, Ayesha A. and Pardeshi, Satish K.} } @article {44180, title = {ZIF-8@DBzPBI-BuI composite membranes for olefin/paraffin separation}, journal = {Journal of Membrane Science}, volume = {549}, year = {2018}, month = {MAR }, pages = {38-45}, type = {Article}, abstract = {ZIF-8 is a member of Zeolitic Imidazole Framework family having high internal surface area, the high thermo-chemical stability and ease of synthesis gained immense attention for its highly selective sieving ability. Transforming it into a membrane form and practical utility remains a challenge. Any success towards this direction would radically reduce the cost of propylene/propane separation. Present study reports use of substituted polybenzimidazole (DBzPBI-BuI) for fabrication of flexible, thus scalable composite membranes with ZIF-8 (ZIF8@DBzPBI-BuI) possessing host-guest compatibility. The membrane with 30\% ZIF-8 loading showed promising propylene-propane separation (ideal selectivity of 32.7), coupled with propylene permeability of 12.13 Barrer. Analysis of sorption shed light on the high contribution of diffusivity on governing permeation properties of the composite membranes. The mixed gas analysis offered highly encouraging results in comparison to known composite membranes of different polymers with ZIF-8. Placement of present data on {\textquoteleft}upper-bound{\textquoteright} showed a rapid enhancement in selectivity by the addition of ZIF-8 in the polymer matrix, which seems to be a result of the elimination of inter-phase defects. It was made possible due to the functionality of host polymer.}, keywords = {Gas permeation, Olefin/paraffin separation, Polybenzimidazole (PBI), ZIF-8}, issn = {0376-7388}, doi = {10.1016/j.memsci.2017.11.069}, author = {Kunjattu, Shebeeb H. and Ashok, Varsha and Bhaskar, Anand and Pandare, Kiran and Banerjee, Rahul and Kharul, Ulhas K.} } @article {44421, title = {Zinc supplementation decreases galactosylation of recombinant IgG in CHO cells}, journal = {Applied Microbiology and Biotechnology}, year = {2018}, month = {MAY}, pages = {1-11}, type = {Journal Article}, abstract = {
Trace element composition of culture medium can be altered to modulate glycoform of recombinant glycoproteins. In this study, we show that Zn2+ supplementation at or above 100 μM decreases galactosylation of recombinant IgG expressed in Chinese Hamster Ovary cells. This decrease in galactosylation is not due to reduced galactosyltransferase expression. This effect persists upon supplementation of galactose and uridine to the culture, indicating that it may not be due to reduced UDP-Gal availability. Measurements of galactosyltransferase activity in the cell lysate show that activity decreases with increasing Zn2+/Mn2+ ratio. This suggests that one possible explanation of the effect of Zn2+ may be reduced intracellular galactosyltransferase activity due to increase in Zn2+/Mn2+ ratio. Consistent with this, the decrease in galactosylation of IgG could be reversed by supplementation of Mn2+ (a cofactor of galactosyltransferase) which increases intracellular Mn2+ content. Measurement of total intracellular Zn2+ content, however, indicates no significant upregulation of total intracellular Zn2+ content and no significant downregulation of intracellular Mn2+ content with Zn2+ supplementation. One possible explanation could be that cellular detoxification response to higher extracellular Zn2+ concentration might lead to changes in intracellular distribution of Mn2+. In this case, Zn2+ supplementation would be expected to interfere with other known effects of Mn2+. Indeed, the previously reported increase in high mannose glycans upon Mn2+ supplementation in the absence of glucose is reversed by Zn2+ supplementation. This study also suggests the use of Mn2+ supplementation as a strategy to overcome the effect of lot-to-lot variability in trace element concentrations on galactosylation.
}, keywords = {CHO cells, glycosylation, manganese, Trace metals, zinc}, issn = {1757598}, doi = {10.1007/s00253-018-9064-8}, author = {Prabhu, Anuja}, editor = {Gadre, Ramchandra} } @article {44420, title = {Zirconium-substituted cobalt ferrite nanoparticle supported n-doped reduced graphene oxide as an efficient bifunctional electrocatalyst for rechargeable Zn-air battery}, journal = {ACS Catalysis}, volume = {8}, year = {2018}, month = {APR}, pages = {3715-3726}, type = { Article}, abstract = {
Solvothermal synthesis of zirconium-substituted cobalt ferrite nanoparticles was accomplished by the introduction of zirconium (Zr) in the spinel matrix to obtain a cost-effective and robust electrocatalyst that does not use noble metals. A variation in the cobalt ferrite structure CoFe2\−xZrxO4 with Zr (0.1\−0.4) substitution has significantly altered the overpotential for the electrocatalytic oxygen reduction reaction (ORR) and oxygen evolution reaction (OER), leading to an optimum composition of CFZr(0.3). The incorporation of the foreign Zr4+ ion in the cobalt ferrite spinel lattices has effectively enhanced the oxygen evolution reaction (OER) activity in comparison to the parent cobalt ferrite (CF) nanocrystals. However, a nominal change in the ORR current density has been observed due to Zr incorporation. For the OER, the Zr-substituted catalyst has shown a 40 mV negative shift in the overpotential in comparison with the CF nanoparticles at 10 mA/cm2 current density. Interestingly, the in situ grafting of Zr-substituted cobalt ferrite nanoparticles over N-doped reduced graphene oxide (CFZr(0.3)/N-rGO) results in remarkably enhanced performance during the ORR and moderately favored the OER with an overall potential difference (ΔE) of 0.840 V. The enhanced bifunctional electrocatalytic activity of the material is crucial for the fabrication of high-performance rechargeable Zn\−air batteries (ZABs). The prepared catalyst exhibited an overpotential of 80 mV for the ORR in comparison with the state-of-the-art (Pt/C) catalyst and an overpotential of 340 mV at 10 mA/cm2 current density for the OER from the standard value (1.23 V vs RHE). This potential bifunctional electrocatalyst has been employed as an electrode material for the fabrication of a primary ZAB, where it exhibited discharge capacities of 727 and 730 mAh/g at current densities of 20 and 30 mA/cm2 , respectively, under ambient conditions. The notable performance of the catalyst as a bifunctional material is observed during the cycling of the rechargeable ZAB. The prepared catalyst showed an increase of 200 mV in the overall operating overpotential after cycling for 10 cycles at 15 mA/cm2 in comparison to the 350 mV increase shown by the Pt/C catalyst.
}, keywords = {N-doped reduced graphene oxide, Oxygen Evolution Reaction, oxygen reduction reaction, zirconium-substituted cobalt ferrite}, issn = {2155-5435}, doi = {10.1021/acscatal.7b03823}, author = {Kashyap, Varchaswal and Kurungot, Sreekumar} } @article {46336, title = {1,6-Conjugate-addition-induced [2+1] annulation of para-quinone methides and pyrazolones: synthesis of bis-spiro compounds with contiguous quaternary spiro-centers}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {OCT }, pages = {7736-7740}, type = {Article}, abstract = {
A diastereoselective formal 1,6-conjugate-addition-mediated [2 + 1] annulation reaction using p-quinone methides and pyrazolones has been described. The corresponding bis-spiro[cyclohexadienone-cyclopropane-pyrazolone] compounds were obtained in very good yield under mild reaction conditions.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b02641}, author = {Kale, Someshwar B. and Jori, Popat K. and Thatikonda, Thanusha and Gonnade, Rajesh G. and Das, Utpal} } @article {46346, title = {2 {\textquoteleft}-5 {\textquoteleft}-Isomerically linked thrombin-binding aptamer (isoTBA) forms a stable unimolecular parallel G-quadruplex in the presence of Sr2+ Ions}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {SEP }, pages = {10668-10673}, type = {Article}, abstract = {
The ability of the isomeri 2 {\textquoteleft}-5 {\textquoteleft}-phosphodiester-linked thrombin-binding DNA aptamer pentadecamer G(2)T(2)G(2)TGTG(2)T(2)G(2) (isoTBA), to fold into G-quadruplex structures in the presence of different mono- and divalent cations is reported. Strikingly, Sr2+ ions cause isoTBA to fold into a stable parallel unimolecular G-quadruplex, in contrast to the antiparallel unimolecular G-quadruplex fold observed in the presence of K+. IsoTBA being advantageously more stable than TBA to nuclease degradation, may thus be useful in the selective detection of Sr2+ ions, which it can sense with a detection limit of similar to 55 mu M.
}, keywords = {2 {\textquoteleft}-5 {\textquoteleft}-phosphodiester, parallel DNA G-quadruplex, strontium binding, thrombin-binding aptamer, unimolecular G-quadruplex}, issn = {2365-6549}, doi = {10.1002/slct.201902005}, author = {Wagh, Atish A. and Fernandes, Moneesha} } @article {46127, title = {3-D nanoribbon-like Pt-free oxygen reduction reaction electrocatalyst derived from waste leather for anion exchange membrane fuel cells and zinc-air batteries}, journal = {Nanoscale}, volume = {11}, year = {2019}, month = {APR }, pages = {7893-7902}, type = {Article}, abstract = {
Fe-N-x and Fe-S-based ORR electrocatalysts have emerged as rightful candidates to replace Pt in fuel cells to make the technology cheap and sustainable. Fe-N-C catalysts are generally prepared by the pyrolysis of conducting polymers, metal-organic frameworks, aerogels, etc., and the combination of multiple heteroatoms and metal precursors. These precursors are mostly expensive and their synthesis involves multiple steps. In this report, we have demonstrated the synthesis of a Fe-N-C catalyst from the waste leather obtained from the footwear and other leather-consuming industries. The pyrolysis of leather with FeCl3 (metal source) results in the formation of a highly thin and porous nano-ribbon like morphology. Waste leather acts as a cost-free single source of heteroatoms like N, S and carbon. The catalyst synthesized at a temperature of 900 degrees C shows an overpotential of 40 mV and better durability compared to the commercial Pt/C catalyst. The catalyst is demonstrated as the cathode for alkaline exchange membrane fuel cell (AEMFC) and zinc-air battery (ZAB) applications. In the AEMFC, a power density of 50 mW cm(-2) and an OCV of 0.92 V are obtained whereas, in the ZAB, it exhibited a power density of 174 mW cm(-2) compared to 160 mW cm(-2) of the system based on the Pt/C catalyst.
}, issn = {2040-3364}, doi = {10.1039/c9nr00977a}, author = {Soni, Roby and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article {47156, title = {[8+3]-cycloaddition of tropones with azaoxyallyl cations}, journal = {Chemistry-An Asian Journal}, volume = {14}, year = {2019}, month = {DEC }, pages = {4748-4753}, type = {Article}, abstract = {
Although azaoxyallyl cations are widely used as 1,3-dipoles for various cycloaddition reactions leading to nitrogen-containing heterocycles, their application in higher-order cycloaddition reaction remains scarce. Herein, we present the [8+3]-cycloaddition reaction of tropones with in situ generated azaoxyallyl cations allowing the one-step construction of cycloheptatriene-fused 1,4-oxazinones in moderate to good yields. This base-promoted new carbon-oxygen and carbon-nitrogen bond-forming reaction takes place under mild conditions in the absence of transition metal catalysts.
}, keywords = {1, 4-oxazinones, azaoxyallyl cations, heterocycles, tropones, [8+3] cycloaddition}, issn = {1861-4728}, doi = {10.1002/asia.201901198}, author = {Roy, Tony and Jacob, Anu and Bhattacharjee, Subrata and Biju, Akkattu T.} } @article {46324, title = {Access to a stereoisomer library of solomonamide macrocycles}, journal = {Chemistry-An Asian Journal}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {
In an attempt towards understanding stereo-structure activity relationships (SSARs), we have prepared eight possible stereoisomers of solomonamide macrocycles, in particular, by changing the stereochemical pattern of non-peptide fragment AHMOA. Here, we have demonstrated different ways to construct three contiguous chiral centers present in solomonamide B macrocycle using substrate/reagent-controlled methods. These methods involve Brown crotylation, NHK reaction and Evans aldol addition as key steps to synthesize key non-peptide fragment. Further, these non-peptide fragments were converted to their corresponding macrocycles via ligand-free intramolecular Heck reaction.
}, keywords = {Crotylation, Heck reaction, Inflammation, Macrocycles, Stereochemistry}, issn = {1861-4728}, doi = {10.1002/asia.201901075}, author = {Jachak, Gorakhnath R. and Athawale, Paresh R. and Choudhury, Rahul and Kashinath, K. and Reddy, D. Srinivasa} } @article {46347, title = {Acidic handle assemble heterogeneous carbocatalyst for facile aliphatic nucleophilic fluorination}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {SEP }, pages = {10960-10964}, type = {Article}, abstract = {
Acidic handle (-SO3H) assemble carbonaceous catalyst synthesized from glucose acts as a modulator for the nucleophilic fluorination reaction. The heterogeneous catalyst works with various alkyl sulfonate, halide and metal fluoride (MF), to offer a high yield of fluorinated products up to 93\%. This carbonaceous catalyst is recyclable for more than five times, with no major loss of activity.
}, keywords = {fluorination, heterogeneous catalysis}, issn = {2365-6549}, doi = {10.1002/slct.201902771}, author = {Said, Madhukar S. and Pandole, Satish and Suryavanshi, Amol and Kumar, Pradeep and Gajbhiye, Jayan M.} } @article {47169, title = {Actin cytoskeleton and membrane interactions: role in GPCR function and organization}, journal = {Proceedings of the Indian National Science Academy}, volume = {85}, year = {2019}, month = {SEP}, type = {Article}, abstract = {
Cell signaling networks are generally initiated at the cell membrane and mediated by receptors such as the G proteincoupled receptors (GPCRs). Adjacent to the cell membrane lies a complex network of proteins - the actin cytoskeleton to which several structural and physiological roles have been attributed. An emerging role of the cytoskeleton is to modulate GPCR function and organization, either directly or indirectly. The GPCR-cytoskeleton cross-talk is a complex hierarchical process where each step has its own set of rules and combinations. Due to the inherent complexity involved at each step and the multiple spatio-temporal levels, a complete picture is yet to emerge. In this review article, we provide an overview of actin-membrane interactions and how they modulate GPCR function and organization.
}, author = {Prakash, Shikha and Krishna, Anjali and Sengupta, Durba} } @article {45571, title = {Additive manufacturing technology empowered complex electromechanical energy conversion devices and transformers}, journal = {Applied Materials Today}, volume = {14}, year = {2019}, month = {MAR}, pages = {35-50}, type = {Article}, abstract = {Additive manufacturing technology (AMT) is popularly known as 3-dimensional (3D) printing has emerged as a reliable, efficient, and cost-effective method for the production of complex 3D-physical models. Effectively coordinated advanced 3D printing technological developments as well as the advanced integrated techniques with pre-existed 2-dimensional (2D) printing techniques have expedited the expansion of this technology to various applications in wide-field disciplines. In this paper, we aim to provide principles of machines and transformers; a comprehensive overview of additive printing technology, process, and the AMT facilitated compatible materials for empowered complex electromechanical energy conversion devices and transformers. Electromechanical energy conversion devices and transformers supply most of the electricity to all applications. Hence, we have provided an informative report broadcasting of additively manufactured electromechanical devices and transformers with significant utilization in electrical power industries. Additionally, AMT advances in electromechanical energy conversion devices such as electrical machines (motors, generators, and transformers) were described. Also, the traditional methods induced complexities overcoming AMT technique and their advantages were elucidated. Thus the additive manufacturing technology is acceptable for fabricating complex electromechanical devices and transformers additionally acquiring the performance, reliability, and cost-effectiveness of the same. Moreover, the current body of research in 3D printed manufacturing is summarized, and the challenges are highlighted to assist in the further development of this field.}, doi = {10.1016/j.apmt.2018.11.004}, author = {Magisetty, R. and Cheekuramelli, N. S.} } @article {45508, title = {Adsorptive removal of chromium(VI) using spherical resorcinol-formaldehyde beads prepared by inverse suspension polymerization}, journal = { Journal of Polymer Research}, volume = {26}, year = {2019}, month = {JAN }, pages = {41}, type = {Article}, abstract = {
The spherical cross-linked beaded polymers were prepared by condensation of resorcinol and formaldehyde in presence of tri-ethylamine by inverse suspension polymerization technique. The m-cresol, aniline, urea and thiourea were used as co-monomer and polyethylene glycol (PEG 400) was used as porogen. Paraffin oil was used as non-aqueous suspension agent. The polymeric spherical beads were prepared using various types of comonomers exhibiting range of particle size 77.62 to 158.84m at 90 degrees C and 300rpm for 4h. The resulting beads were analyzed by elemental analysis, particle size analysis and scanning electron microscope (SEM). The synthesized beads were used for the removal of Cr(VI) from aqueous solutions. A simple and sensitive solid phase extraction procedure was used for the determination of chromium at trace level by spectrophotometric method using 1,5-diphenylcarbazide reagent. The adsorption of Cr(VI) on the resorcinol-formaldehyde beads was monitored by energy-dispersive X-ray spectroscopy (EDX) analysis. The metal adsorption parameters such as contact time, pH, metal ion concentration and adsorbent dose were investigated. For Cr(VI), the maximum adsorption capacity was about 99\% at pH2 for the resorcinol-formaldehyde beads obtained.
}, keywords = {adsorption kinetics, Beads, Chromium (VI), Formaldehyde, Inverse suspension, Resorcinol}, issn = {1022-9760}, doi = {10.1007/s10965-019-1705-9}, author = {Mulani, Khudbudin and Patil, Vishwanath and Chavan, Nayaku and Donde, Kamini} } @article {46155, title = {Adsorptive removal of strontium(II) using macroporous poly(AGE-co-EGDMA) beads modified with resorcin[4]arene}, journal = {Bulletin of Materials Science}, volume = {42}, year = {2019}, month = {APR}, pages = {UNSP 82}, type = {Article}, abstract = {
Adsorption behaviour of strontium(II) on macroporous poly(allyl glycidyl methacrylate-co-ethylene glycol dimethacrylate) [poly(AGE-co-EGDMA)] beads modified with resorcin[4]arene was studied using macroporous cross-linked [poly(AGE-co-EGDMA)] beads. The macroporous crosslinked [poly(AGE-co-EGDMA)] beads were synthesized by suspension polymerization techniques, followed by functionalization with amino derivatives of resorcin[4]arene. The poly(AGE-co-EGDMA) beads were characterized by FTIR, 1H and 13C-NMR, elemental analysis and particle-size analysis. The surface morphology of beads was studied by scanning electron microscopy. The functionalized poly(AGE-co-EGDMA) beads were used as adsorbents for strontium removal. The crucial factors including the effect of pH, time, initial concentration of metal ions and adsorbent dose were investigated to optimize the maximum adsorption efficiency of Sr(II). The equilibrium data of strontium(II) ions adsorbed on functionalized poly(AGE-co-EGDMA) beads were analysed by pseudo-first- and pseudo-second-order kinetic models. The pseudo-second-order kinetic model indicated that strontium was adsorbed by chemisorption.
}, keywords = {Adsorption, AGE-EGDMA beads, resorcin[4]arene, Sr(II)}, issn = {0250-4707}, doi = {10.1007/s12034-019-1786-4}, author = {Mulani, K. and Patil, V. and Chavan, N. and Donde, K.} } @article {46083, title = {Advances in the experimental and theoretical understandings of antibiotic conjugated gold nanoparticles for antibacterial applications}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {JUN }, pages = {6719-6738}, type = {Review}, abstract = {
The worldwide bacterial resistance to a wide range of antibiotics originates a global health concern and calls for the development of new antibacterial agents. Over the recent years, nanomaterials-based agents have been proven to be useful for the effective antibacterial applications. Notably, the gold nanoparticles (AuNPs) draw particular attention due to their biological inertness and easy surface functionalization. It is now established that the antibiotic functionalization on the AuNPs surfaces increases the antibacterial efficacy even towards the antibiotic-resistant bacterial cells. Moreover, the antibacterial efficacy can be further enhanced by photothermal therapy using antibiotic conjugated AuNPs. In this review article, we have reviewed the advances in the development of the synthesis methods of antibiotic conjugated AuNPs and gold nanoclusters, and their antibacterial efficacy. We have also discussed the developments in the theoretical understandings behind the interaction of antibiotic molecules with gold surface and its relation to the antibacterial activity. We believe that few parameters including the selection of antibiotic molecules, the method of its attachment to AuNPs, the purification of antibiotic conjugated AuNPs, and the quantification of conjugated antibiotic are crucial and needs to be properly addressed. Moreover, there are many other future directions discussed, for using antibiotic conjugated AuNPs more effectively for antibacterial therapy.
}, keywords = {Antibacterial, antibiotic, DFT calculations, gold nanocluster, Gold nanoparticle, multi-drug resistance, photo-thermal therapy}, issn = {2365-6549}, doi = {10.1002/slct.201900083}, author = {Khandelwal, Puneet and Singh, Dheeraj K. and Poddar, Pankaj} } @article {47491, title = {Advances of hydrazone linker in polymeric drug delivery}, journal = {Journal of Critical Reviews}, volume = {6}, year = {2019}, month = {FEB}, pages = {1-4}, abstract = {Polymeric drug delivery vehicles are known for the controlled release of the drug. More importantly, stimuli-responsive systems are emerged as a suitable platform for targeted drug delivery system, due to its properties such as low toxicity, improved patient compliance, and convenience. In the present article, an overview of the hydrazone linker used in drug delivery is discussed. Particularly, the role of hydrazone linker in anti-cancer drug delivery system is elaborated, as the hydrazone linker gets cleaved under cancerous cell environment at pH 5.}, doi = {10.22159/jcr.2019v6i2.31833}, author = {Mane, ‪Shivshankar R.} } @article {46326, title = {Ag nanoparticles supported on a resorcinol-phenylenediamine-based covalent organic framework for chemical fixation of CO2}, journal = {Chemistry-An Asian Journal }, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {
Covalent organic frameworks are a new class of crystalline organic polymers possessing a high surface area and ordered pores. Judicious selection of building blocks leads to strategic heteroatom inclusion into the COF structure. Owing to their high surface area, exceptional stability and molecular tunability, COFs are adopted for various potential applications. The heteroatoms lining in the pores of COF favor synergistic host-guest interaction to enhance a targeted property. In this report, we have synthesized a resorcinol-phenylenediamine-based COF which selectively adsorbs CO2 into its micropores (12 angstrom). The heat of adsorption value (32 kJ mol(-1)) obtained from the virial model at zero-loading of CO2 indicates its favorable interaction with the framework. Furthermore, we have anchored small-sized Ag nanoparticles (approximate to 4-5 nm) on the COF and used the composite for chemical fixation of CO2 to alkylidene cyclic carbonates by reacting with propargyl alcohols under ambient conditions. Ag@COF catalyzes the reaction selectively with an excellent yield of 90 \%. Recyclability of the catalyst has been demonstrated up to five consecutive cycles. The post-catalysis characterizations reveal the integrity of the catalyst even after five reaction cycles. This study emphasizes the ability of COF for simultaneous adsorption and chemical fixation of CO2 into corresponding cyclic carbonates.
}, keywords = {CO2 capture, covalent organic frameworks, cyclic carbonates, Propargyl alcohols, silver nanoparticles}, issn = {1861-4728}, doi = {10.1002/asia.201901157}, author = {Chakraborty, Debanjan and Shekhar, Pragalbh and Singh, Himan Dev and Kushwaha, Rinku and Vinod, C. P. and Vaidhyanathan, Ramanathan} } @article {46252, title = {AgNO3-Catalysed intramolecular cyclization: access to functionalized cyclopentanones and spiro-cyclopentanones }, journal = {Asian Journal of Organic Chemistry}, year = {2019}, month = {AUG}, type = {Article}, abstract = {
An efficient AgNO3-catalysed method has been developed for the synthesis of functionalized cyclopentanones and spiro-cyclopentanones through intramolecular cyclization between ynones and cyanoacrylate/aryl/alkylidene malononitrile using DBU as a base. Easy availability of starting materials and mild reaction conditions makes this protocol more feasible over previously reported methods. The functionalized cyclopentanones and spiro-cyclopentanones were synthesized in good to excellent yields with a broad substrate scope.
}, doi = {10.1002/ajoc.201900453}, author = {Bhoite, Shubhangi P. and Bansode, Ajay H. and Burate, Pralhad A. and Suryayanshi, Gurunath} } @article {46050, title = {AgQDs employing black box synthetic strategy: photocatalytic and biological behavior}, journal = {Journal of Luminescence}, volume = {212}, year = {2019}, month = {AUG}, pages = {133-140}, type = {Article}, abstract = {
This investigation relates FRET, photocatalytic and a biological study of AgQDs which found to be dependent on particle size and capping agent used. Surface of AgQDs was one of the most important factors that govern its activity. AgQDs with BSA binding was systematically studied by fluorescence quenching and electrostatic interaction. AgQDs mainly interacted to site II of BSA, binding distance r evaluated according to the FRET theory and was 4.6 nm for AgQDs, which suggested transfer of energy (non-radioactive) between surface modified AgQDs and biological molecule BSA. The photocatalytic activity of AgQDs for the appreciable degradation of erythrosine dye using Ultraviolet-B light was investigated. AgQDs showed specific antibacterial activity against E. coli bacterial stain. Quantum dots displayed a pronounced and specific activity causing \> 50\% growth of COLO-205 and MCF-7 human cancer Cells at concentrations \< 10(-7 )M. Hence, present black box synthetic protocol of AgQDs could be life science application.
}, keywords = {AgQDs, Black box, COLO-205, Photocatalytic}, issn = {0022-2313}, doi = {10.1016/j.jlumin.2019.04.014}, author = {Pansare, Amol V. and Shedge, Amol A. and Chhatre, Shraddha Y. and Das, Debabrata and Murkute, Punam and Pansare, Shubham V. and Nagarkar, Amit A. and Patil, Vishwnath R. and Chakrabarti, S.} } @article {46337, title = {Allenoate prenucleophiles: a triply diastereoselective approach to beta-hydroxy esters containing all-carbon alpha-quaternary centers}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {OCT }, pages = {7952-7955}, type = {Article}, abstract = {
Allenyl esters activated by titanium(IV) underwent additions to a wide range of aldehydes in high regio- and diastereoselectivities leading to products containing an all carbon quaternary center bearing an alpha-vinyl group that was installed with high selectivity for the Z-geometry. An aldol product was also converted to an indanone offering a new route to this important compound class. Product triple diastereoselectivity has been rationalized using a concerted transition-state model.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b02930}, author = {Maki, Samantha L. and Maity, Pradip and Dougherty, Shannon and Johns, Jennifer and Lepore, Salvatore D.} } @article {46205, title = {All-organic composites of ferro- and piezoelectric phosphonium salts for mechanical energy harvesting application}, journal = {Chemistry of Materials}, volume = {31}, year = {2019}, month = {AUG}, pages = { 5964-5972}, type = {A}, abstract = {
Molecular ferroelectrics owing to their lightweight, flexibility, and phase stability are drawing attention in the fields of flexible electronics, optical devices, and energy materials. In this paper, we report a series of binary organoamino phosphonium salts containing triphenyl isopropylaminophosphonium (TPAP), diphenyl diisopropylaminophosphonium (DPDP), phenyl triisopropylaminophosphonium (PTAP), and tetraisopropylaminophosphonium (TIAP) cations supported by lower symmetric tetrahedral BF4-, ClO4-, and IO4- anions. The P-E hysteresis loop measurements on these polar organic salts gave high remnant polarization (P-r) values of 35.36, 21.83, and 21.12 mu C cm(-2) for the DPDP center dot BF4, DPDP center dot ClO4, and DPDP center dot IO4 salts, respectively, having 1D hydrogen-bonded chain structures built from strong N-H center dot center dot center dot X (X = F or 0) interactions. For the first time, highly flexible composite devices have been prepared for the piezoelectric salts TPAP center dot BF4, DPDP center dot BF4, and TIAR center dot BF4 using thermoplastic polyurethane (TPU) as the matrix. The observed maximum peak-to-peak output voltages (V-pp) for the 10 wt \% composite devices of TPAP center dot BF4/TPU, DPDP center dot BF4/TPU, and TIAP center dot BF4/TPU are found to be 7.37, 8.95, and 4.75 V, respectively. These composite devices exhibit excellent durability, cycling stability, and viscoelastic properties. They also show the capacitor charging capabilities reaching their maximum charging points within 60 s.
}, doi = {10.1021/acs.chemmater.9b02409}, author = {Vijayakanth, Thangavel and Ram, Farsa and Praveenkumar, Balu and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {46131, title = {Alpha-Angelica lactone in a new role: facile access to N-Aryl tetrahydroisoquinolinones and isoindolinones via organocatalytic alpha-CH2 oxygenation}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {APR }, pages = {2532-2535}, type = {Article}, abstract = {
A method for the direct oxidation of various N-aryl tetrahydroisoquinolines and isoindolines to the corresponding lactams using alpha-angelica lactone as a catalyst was developed. The utility of the method was further demonstrated by synthesis of indoprofen and indobufen.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b00224}, author = {Thatikonda, Thanusha and Deepake, Siddharth K. and Das, Utpal} } @article {46411, title = {Altering the O/C ratio of lignin derived monomers without sacrificing atom efficiency}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {DEC}, pages = {14050-14055}, type = {Article}, abstract = {
Synthesis of platform and fuel grade chemicals from lignin without losing atom efficiency and lowering O/C ratio is a challenge in a bio-refinery concept. In this work, we report solid acid catalysed alkylation of lignin derived variety of monomers such as guaiacol, veretrole, phenol, anisole, and catechol using numerous alcohols as alkylating agents. Results elaborate that the type of acidity and structure of catalyst play important role in achieving higher dialkylated products (DAP). With 85\% conversion of guaiacol, 30.9\% DAP formation was achieved at 250 degrees C within 2 h. A unique substrate adsorption study on the catalyst surface and effect of solubility of substrates on the activity of catalyst is evaluated. Catalyst was observed to be recyclable with marginal loss in the activity due to handling error.
}, keywords = {Alcohols, Alkylation, lignin, Monomers, solid acid catalyst, Up-gradation}, issn = {2365-6549}, doi = {10.1002/slct.201903320}, author = {Singh, Dheerendra and Dhepe, Paresh L.} } @article {46015, title = {Alternating electric-field-induced assembly of binary mixtures of soft repulsive ionic microgel colloids}, journal = {Journal of Colloid and Interface Science }, volume = {544}, year = {2019}, month = {MAY}, pages = {88-95}, type = {Article}, abstract = {
An external alternating electric field is used to study the assembly of a binary mixture of Poly(N-isopro pylacrylamide-co-acrylic acid) microgels in their swollen form at hydrodynamic size ratio 2:1 under deprotonated state. The AC field experiments were carried out at a fixed frequency of 100 kHz in the fluid regime for three number density ratios 1:3, 1:1 and 3:1 of big-to-small microgels using a confocal microscope. Strings with different types of co-assembly structures such as buckled, ring, flame and sandwich have been observed at low and intermediate field strengths at ratio 1:3, 1:1. In buckled and ring type, one or two small particles sit at the contact of two big particles and in the flame type, small particles arrange like a cone at end of the string. In the sandwich structure, several double small particle layers lie in between big particles. At high field strength, aggregation of strings and a phase separation into individual aggregates of strings from both big and small microgels have been observed. At higher ratio 3:1, the string formation is mostly dominated by big particles. Our experimental results are discussed with the recent simulation and experimental works on AC field induced structures in binary hard sphere mixtures. (C) 2019 Elsevier Inc. All rights reserved.
}, keywords = {assembly, dipolar interactions, Microgels, Soft colloids}, issn = {0021-9797}, doi = {10.1016/j.jcis.2019.02.075}, author = {Jathavedan, Kiran and Bhat, Suresh K. and Mohanty, Priti S.} } @article {46239, title = {Alternative synthesis of the CNS stimulant Prolintane}, journal = {Arkivoc}, year = {2019}, pages = { 292-297}, type = {Article}, abstract = {
An alternative synthesis of prolintane, a CNS stimulant, is reported using commercially available allyl benzene in good overall yield (32.3\%). The key transformations include epoxidation, Grignard reaction, Mitsunobu and reduction protocols.
}, doi = {10.24820/ark.5550190.p010.952}, author = {Mujahid, M. and Korpe, G. V. and Deshmukh, S. P. and Bhadange, S. G. and Muthukrishnan, M.} } @article {45538, title = {Aluminum cluster for CO and O-2 adsorption}, journal = {Journal of Molecular Modeling}, volume = {25}, year = {2019}, month = {JAN}, pages = {2}, type = {Article}, abstract = {
Low temperature oxidation of CO to CO2 is an important process for the environment. Similarly adsorption of CO from the releasing sources is also of major concern today. Whereas the potential of gold and silver clusters is well proven for thecatalysis of the above mentioned reaction, the potential of aluminum (Al) clusters remains unexplored. The present study proves that, similar to the transition metals, Al clusters can also be used for adsorption of gases. We first tested the potential of Al cluster as adsorbents for CO. The high binding energy (BE) values prove that Al clusters can be used for adsorbing both CO and O-2. Since oxygen binding is more facile, we adsorbed oxygen on Al and then checked the effect of this O-2 on the BE of CO. The results were obtained by DFT calculations at M062X/TZVP level of theory.
}, keywords = {Aluminum clusters, Charge decomposition analysis, CO adsorption, DFT, O-2 adsorption, Wiberg bond indices}, issn = {1610-2940}, doi = {10.1007/s00894-018-3869-3}, author = {Samanta, Bipasa and Sengupta, Turbasu and Pal, Sourav} } @article {46041, title = {Amino acid amide based ionic liquid as an efficient organo-catalyst for solvent-free knoevenagel condensation at room temperature}, journal = {Catalysis Letters}, volume = {149}, year = {2019}, month = {SEP}, pages = {2368-2375}, type = {Article}, abstract = {
Ionic liquids of amino acid amide were synthesized and used as an efficient catalyst for solvent-free Knoevenagel condensation. Synthesized ionic liquids are an environmentally benign, inexpensive, metal free and plays the dual role of solvent as well as an efficient catalyst for Knoevenagel condensation. A wide range of aliphatic, aromatic and heteroaromatic aldehydes easily undergo condensation with malononitrile and ethyl cyanoacetate. The reaction proceeds at room temperature without using any organic solvent and is very fast with good to excellent yield. Additionally, the catalyst is easily separable and recyclable without loss of activity. [GRAPHICS] .
}, keywords = {Acrylonitrile, Amino acid amide, Cyanoacrylate, Ionic liquid, Knoevenagel condensation, Solvent-free}, issn = {1011-372X}, doi = {10.1007/s10562-019-02840-5}, author = {Burate, Pralhad A. and Javle, Balasaheb R. and Desale, Pranjal H. and Kinage, Anil K.} } @article {45623, title = {Amphiphilic glycopolypeptide star copolymer-based cross-linked nanocarriers for targeted and dual-stimuli-responsive drug delivery}, journal = {Bioconjugate Chemistry}, year = {2019}, month = {JAN}, type = {Article}, abstract = {Glycopolypeptide-based nanocarriers are an attractive class of drug delivery vehicles because of the involvement of carbohydrates in the receptor-mediated endocytosis process. To enhance their efficacy toward controlled and programmable drug delivery, we have prepared stable glycopolypeptide-based bioactive dual-stimuli-responsive (redox and enzyme) micelles for delivery of anticancer drugs specifically to the cancer cells. The amphiphilic biocompatible miktoarm star copolymer, which comprises two hydrophobic poly(ε-caprolactone) blocks, a short poly(propargyl glycine) middle block, and a hydrophilic galactose glycopolypeptide block, was designed and synthesized. The star copolymer is initially self-assembled into un-cross-linked (UCL) micelles, and free alkyne groups at the core{\textendash}shell interface of the UCL micelles, which were cross-linked by bis(azidoethyl) disulfide (BADS) via click chemistry to form interface cross-linked (ICL) micelles. ICL micelles were found to be stable against dilution. BADS imparted redox-responsive properties to the micelles, while PCL rendered them enzyme-degradable. Dual-stimuli-responsive release behavior with Dox as model drug was studied individually as well as synergistically by applying two stimuli in different sequences. The galactose-containing UCL and ICL micelles were shown to be nontoxic. Intracellular Dox release from UCL and ICL micelles was demonstrated in liver cancer cells (HepG2) by time-dependent cellular uptake studies, and controlled release from ICL micelles compared to UCL micelles was observed. The present report opens a new approach toward targeted and programmable drug delivery in tumor tissues via a specifically targeted (receptor-mediated), dual-responsive, and stable cross-linked nanocarrier system.}, doi = {10.1021/acs.bioconjchem.8b00831}, author = {Pandey, B. and Patil, N. G. and Bhosle, G. S. and Ambade, A. V. and Gupta, S. S.} } @article {46106, title = {Amphiphilic polypyridyl ruthenium complexes: synthesis, characterization and aggregation studies}, journal = {Polyhedron}, volume = {164}, year = {2019}, month = {MAY }, pages = {96-107}, type = {Article}, abstract = {
{Synthesis and characterization of five amphiphilic ruthenium(11) complexes of the type [Ru(Cn)(3)]center dot(PF6)(2) (Cn = 4,4{\textquoteright}-dialkyl-2,2{\textquoteright}-bipyridine
}, keywords = {2, 2 {\textquoteleft}-bipyridine, Aggregation, Amphiphilic ligand, Metallosurfactant, Ruthenium complexes}, issn = {0277-5387}, doi = {10.1016/j.poly.2019.02.035}, author = {Bhand, Sujit and Lande, Dipali N. and Pereira, Eulalia and Gejji, Shridhar P. and Weyhermueller, Thomas and Chakravarty, Debamitra and Puranik, Vedavati G. and Salunke-Gawali, Sunita} } @article {45477, title = {Analytical solutions of an isothermal two-dimensional model of a cathode flow channel in transport limited operational regimes of a proton exchange membrane fuel cell}, journal = {Chemical Engineering Science}, volume = {196}, year = {2019}, month = {MAR }, pages = {166-175}, type = {Article}, abstract = {
In the quest for obtaining accurate closed-form analytical expressions for polarization curve of a proton exchange membrane fuel cell (PEMFC), we have recently presented a two-dimensional model that accounts for oxygen concentration gradient and velocity gradient along the depth of a cathode flow channel. The model was developed for the case when Tafel kinetics of oxygen reduction reaction (ORR) on the cathode governs the overall rate of oxygen consumption. An improved match between predictions of the model and full three-dimensional simulations was obtained over the entire range of current density compared with earlier models which assumed homogenous oxygen concentration in the channel depth and plug flow velocity profile. In reality however, ORR kinetics is often not the rate limiting step for oxygen consumption in the cathode catalyst layer (CCL) at high current density since the Tafel kinetics is modulated by transport resistances in the CCL. In this article, we extend our two-dimensional analytical model to two different transport-limited regimes of CCL operation namely, slow oxygen transport across the CCL and slow proton transport across the CCL. We compare model predictions with results of full three-dimensional simulations in both cases and show that they are in excellent agreement even in these transport limited operational regimes of PEMFC. (C) 2018 Elsevier Ltd. All rights reserved.
}, keywords = {Analytical modelling, Polarization curve, Proton exchange membrane fuel cells, Transport resistance}, issn = {0009-2509}, doi = {10.1016/j.ces.2018.10.048}, author = {Thosar, Aniket U. and Lele, Ashish K.} } @article {46003, title = {Antisolvent based precipitation: batch, capillary flow reactor and impinging jet reactor}, journal = {Chemical Engineering Journal}, volume = {369}, year = {2019}, month = {AUG }, pages = {1161-1171}, type = {Article}, abstract = {
A method for continuous antisolvent precipitation of ammonium perchlorate (AP) using a confined impinging jet reactor (CIJR) is studied. The geometry of the CIJR was optimized to achieve excellent mixing with a significant reduction in the particle deposition on walls. Initially, the experimental conditions were optimized in a batch system and then in a continuous capillary reactor. Later those conditions extended for antisolvent precipitation of AP in an impinging jet reactor using water and n-butyl alcohol as a solvent and antisolvent, respectively for optimum performance. The performance was compared with the experiments in batch mode as well as and in a continuous capillary reactor. Over a range of inlet jet velocity that corresponded to 1792 \< Re \< 7193 for the saturated aqueous solution of AP and 1135 \< Re \< 4553 for the antisolvent butanol phase, 8.98-16.98 mu m Ammonium perchlorate particles were attained.
}, keywords = {Ammonium perchlorate, Antisolvent precipitation, CFD, continuous flow, Impinging jet reactor, microparticles}, issn = {1385-8947}, doi = {10.1016/j.cej.2019.03.107}, author = {Pal, Sayan and Madane, Ketan and Kulkarni, Amol A.} } @article {47176, title = {Aqueous-phase differentiation and speciation of Fe3+ and Fe2+ using water-stable photoluminescent lanthanide-based metal-organic framework}, journal = {ACS Applied Nano Materials}, volume = {2}, year = {2019}, month = {AUG}, pages = {5169-5178}, type = {Article}, abstract = {
Fe2+ is vital to O-2 transportation and photosynthesis regulated by oxidases and reductases. On the other hand, Fe3+ is detrimental due to its irreversible binding to O-2. Hence there is a need for selective identification of Fe3+ from aqueous systems in the presence of Fe2+. However, given their close chemical nature, it is not straightforward to differentiate them. Fe2+ and Fe3+ are typically sensed and differentiated using magnetic measurements, Mossbauer, X-ray absorption spectroscopy, or EXAFS, which are complex and equipment intensive techniques. In comparison, the fluorescence technique is advantageous in terms of time and accessibility. Although readily available lanthanide salts exhibit fluorescence, they are weak, and to serve as an optical probe, their luminescence has to be enhanced via ligand design. Hence we have designed a chromophoric ligand that can covalently bind to lanthanides and enhance its fluorescence intensity, and it binds selectively to Fe3+ through its nitrogen centers. It detects Fe3+ from low concentration (similar to 100 mu M) aqueous solutions, with fast response time (\<1 min) and with a detection limit of 3.6 ppm. Importantly, the Fe3+ adsorbed MOF can be readily reactivated for the next cycle by merely washing with an aqueous ascorbic acid solution and can be used for multiple cycles without any appreciable loss in activity. This makes the Ln-MOF an environmentally benign, cost-effective, scalable, and recyclable probe.
}, keywords = {Fe3+ differentiation and speciation, flexible ligand, fluorescent MOF, iron speciation, Metal-organic framework, water sorption}, issn = {2574-0970}, doi = {10.1021/acsanm.9b01047}, author = {Maity, Rahul and Chakraborty, Debanjan and Nandi, Shyamapada and Yadav, Ankit Kumar and Mullangi, Dinesh and Vinod, C. P. and Vaidhyanathan, Ramanathan} } @article {47157, title = {Aromatic polycarbonates bearing pendant maleimide groups via functional monomer approach: synthesis and characterization}, journal = {Journal of Polymer Research}, volume = {27}, year = {2019}, month = {DEC}, pages = {8}, type = {Article}, abstract = {
A new bisphenol containing pendant maleimide group, viz., 4, 4{\textquoteright}-(5-maleimidopentane-2, 2-diyl) diphenol (BPA-MA), was synthesized starting from commercially available 4, 4{\textquoteright}-bis (4-hydroxyphenyl) pentanoic acid. Aromatic (co)polycarbonates possessing pendant maleimide groups were synthesized by solution polycondensation of BPA-MA or varying mixtures of BPA-MA and bisphenol-A (BPA) with triphosgene in dry dichloromethane in the presence of triethylamine as a base. Inherent viscosities and number average molecular weights of (co)polycarbonates were in the range 0.46-0.66 dL/g and 24,600-36,700, respectively, indicating the formation of reasonably high molecular weight polymers. Tough, transparent, and flexible films could be cast from chloroform solutions of these (co)polycarbonates. (Co)polycarbonates were characterized using FT-IR, H-1 NMR, C-13 NMR spectroscopy, XRD, TGA and DSC analysis. The chemical modification of a representative copolycarbonate containing pendant maleimide groups was carried out quantitatively using thiol-maleimide Michael addition reaction with two thiol compounds, namely, 4-chlorothiophenol and 1-adamantanethiol. Additionally, it was demonstrated that copolycarbonate containing pendant maleimide groups could be used to form insoluble cross-linked gel by reaction with a multifunctional thiol cross-linker, namely, pentaerythritol tetrakis(3-mercaptopropionate).
}, keywords = {Aromatic polycarbonate, Cross-linking, maleimide group, Thiol-maleimide reaction, Triphosgene}, issn = {1022-9760}, doi = {10.1007/s10965-019-1909-z}, author = {Nagane, Samadhan S. and Kuhire, Sachin S. and Ichake, Amol B. and Rajamohanan, P. R. and Wadgaonkar, Prakash P.} } @article {45583, title = {Aromatic polyesters containing cardo perhydrocumyl cyclohexylidene groups: synthesis, characterization and gas permeation study}, journal = {Journal of Macromolecular Science, Part A: Pure and Applied Chemistry}, volume = {56}, year = {2019}, month = {FEB}, pages = {136-145}, type = {Article}, abstract = {
Three bisphenols containing cardo perhydrocumyl cyclohexylidene group, namely; 1,1-bis(4-hydroxyphenyl)-4-perhydrocumylcyclohexane, 1,1-bis(4-hydroxy-3-methylphenyl)-4-perhydrocumylcyclohexane and 1,1-bis(4-hydroxy-3,5-dimethylphenyl)-4-perhydrocumylcyclohexane were synthesized starting from p-cumyl phenol. Each of these bisphenols was polycondensed with both terephthaloyl chloride and isophthaloyl chloride by phase transfer-catalyzed interfacial polymerization to obtain a series of new aromatic polyesters. Inherent viscosities and number average molecular weights of polyesters were in the range 0.51-0.64 dL/g and 17390-41430 g/mol, respectively which indicated the formation of reasonably high molecular weight polymers. The detailed NMR studies revealed that axial and equatorial identity of the phenyl rings of bisphenols was retained in polyesters resulting in constitutional isomerism. Polyesters containing perhydrocumyl cyclohexylidene groups showed excellent solubility in organic solvents viz, chloroform, dichloromethane, 1,1,2,2-tetrachloroethane and tetrahydrofuran. The self-standing films of polyesters could be cast from their chloroform solution. The 10\% weight loss temperatures and glass transition temperatures of polyesters were in the range 453{\textendash}485 {\textdegree}C and 201{\textendash}267 {\textdegree}C, respectively demonstrating their excellent thermal characteristics. The gas permeability study of polyesters was carried out for He, H2 and N2 by variable-volume method. An improvement in permeability and decrease in selectivity was observed due to symmetric methyl substituents while reverse trend was observed in case of polyesters with asymmetric methyl substituents.
}, doi = {10.1080/10601325.2018.1549950}, author = {Shingte, R. D. and Chatterjee, D. and Tawade, B. V. and Shrimant, B. and Wadgaonkar, P.P.} } @article {46072, title = {Aromatic polyesters containing pendant azido groups: synthesis, characterization, chemical modification and thermal cross-linking}, journal = {European Polymer Journal}, volume = {116}, year = {2019}, month = {JUL}, pages = {180-189}, type = {Article}, abstract = {
A partially bio-based bisphenol containing pendant azido group viz., 4,4{\textquoteright}-(5-azidopentane-2,2-diyl) diphenol (AZBPA) was synthesized starting from 4,4{\textquoteright}-bis (4-hydroxyphenyl) pentanoic acid. AZBPA was reacted with isophthaloyl chloride (IPC), terephthaloyl chloride (TPC) and a mixture of IPC/TPC (50:50 mol\%) by phase transfer-catalyzed interfacial polycondensation route to obtain aromatic polyesters containing pendant azido groups. Copolyesters containing pendant azido groups were also synthesized by polycondensation of different molar proportions of AZBPA and commercially available 4,4{\textquoteright}-(1-phenylethane-1,1-diyl) diphenol (BPA-AP) with IPC. Inherent viscosities and number average molecular weights of (co)polyesters were in the range 0.85-1.64 dL/g and 58,900-190,400, respectively, indicating the formation of reasonably high molecular weight polymers. Tough, transparent, and flexible films could be cast from chloroform solutions of these polyesters. X-Ray diffraction analysis showed that (co)polyesters were amorphous in nature. (Co)polyesters were characterized using FT-IR, H-1 NMR spectroscopy, XRD, TGA and DSC analysis. The chemical modification of a representative copolyester containing pendant azido groups was carried out quantitatively using copper-catalyzed azide-alkyne cycloaddition (CuAAC) with two alkynes viz., phenyl acetylene (PA) and ethynyl-4-nitrobenzene (ENB). Additionally, (co)polyesters containing pendant azido groups were thermally cross-linked (170 degrees C/12 h) leading to the formation of network structures based on azide to nitrene decomposition and subsequent reactions on polyester backbone. The selected cross-linked polyesters were characterized by stress-strain measurements. The cross-linked polymers exhibited higher tensile strength and Young{\textquoteright}s modulus and lower \% elongation at break compared to corresponding pristine polyesters containing pendant azido groups.
}, keywords = {Aromatic polyester, Chemical modification, Click chemistry, Pendant azido group, Thermal cross-linking}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2019.04.019}, author = {Nagane, Samadhan S. and Verma, Savita and Tawade, V, Bhausaheb and Sane, Prakash S. and Dhanmane, Sushilkumar A. and Wadgaonkar, Prakash P.} } @article {46334, title = {Arresting an unusual amide tautomer using divalent cations}, journal = {Journal of Physical Chemistry B}, volume = {123}, year = {2019}, month = {OCT}, pages = {8419-8424}, type = {Article}, abstract = {
Ion-specific effects on peptides and proteins are key to biomolecular structure and stability. The subtle roles of the cations are far less understood, compared to the pronounced effects of the anions on proteins. Most importantly, divalent cations such as Ca2+ and Mg2+ are crucial to several biological functions. Herein, we demonstrate that an amide-iminolate equilibrium is triggered by the binding of the divalent cations to the amide oxygen in aqueous solution. The excellent agreement between the experimental and theoretical results confirms the arrest of an unusual amide tautomer by the divalent cations, which is a rarely known phenomenon that might open up an array of applications in chemistry and biology.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.9b08463}, author = {Kashid, Somnath M. and Singh, Reman K. and Kwon, Hyejin and Kim, Yung Sam and Mukherjee, Arnab and Bagchi, Sayan} } @article {46166, title = {Aryne Sommelet-Hauser rearrangement}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {MAR}, pages = {3004-3007}, type = {Article}, abstract = {
An aryne induced transition-metal-free and mild Sommelet-Hauser rearrangement of tertiary benzylamines for the synthesis of -aryl amino acid derivatives in moderate to good yields is presented. Unlike the conventional Sommelet-Hauser rearrangement of ammonium salts, the methodology developed herein requires neither harsh conditions nor strong bases. Moreover, a temperature dependent switchable selectivity for the Sommelet-Hauser and Stevens [1,2] rearrangements has been observed.
}, issn = {1359-7345}, doi = {10.1039/c9cc00629j}, author = {Roy, Tony and Gaykar, Rahul N. and Bhattacharjee, Subrata and Biju, Akkattu T.} } @article {46167, title = {Au based Ni and Co bimetallic core shell nanocatalysts for room temperature selective decomposition of hydrous hydrazine to hydrogen}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {MAR }, pages = {2734-2740}, type = {Article}, abstract = {
Nickel and Cobalt bimetallic catalysts with Au as core metal has been synthesized and demonstrated for hydrazine decomposition reaction for producing hydrogen. Gold-cobalt and gold nickel bimetallic system belonging to the class of strained structures with high lattice mismatch of approximately 14\% are demonstrated for synergistic effects atypical of monometallic counterparts for the selective decomposition of hydrous hydrazine to H-2 with N-2 as the other product at room temperature.
}, keywords = {(HDR), Au@Co., Au@Ni., Bimetallic, catalyst., core, decomposition, Hydrazine, nanoparticles., reaction, shell}, issn = {2365-6549}, doi = {10.1002/slct.201900483}, author = {Jain, P. and Anila, K. A. and Vinod, C. P.} } @article {46113, title = {Azadirachtin-A from azadirachta indica impacts multiple biological targets in cotton bollworm helicoverpa armigera}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {MAY}, pages = {9531-9541}, type = {Article}, abstract = {
Azadirachtin-A (AzaA) from the Indian neem tree (Azadirachta indica) has insecticidal properties; however, its molecular mechanism remains elusive. The {\textquoteleft}{\textquoteleft}targeted and nontargeted proteomic profiling{\textquoteright}{\textquoteright}, metabolomics, matrix-assisted laser desorption/ionization time of flight (MALDI-TOF) imaging, gene expression, and in silico analysis provided clues about its action on Helicoverpa armigera. Fourth instar H. armigera larvae fed on AzaA-based diet (AzaD) suffered from significant mortality, growth retardation, reduced larval mass, complications in molting, and prolonged development. Furthermore, death of AzaD-fed larvae was observed with various phenotypes like bursting, blackening, and half-molting. Liquid chromatography-mass spectrometry (LC-MS) data showed limited catabolic processing of ingested AzaA and dramatic alternations of primary metabolism in H. armigera. MALDI-TOF imaging indicated the presence of AzaA in midgut of H. armigera. In the gut, out of 79 proteins identified, 34 were upregulated, which were related to digestion, immunity, energy production, and apoptosis mechanism. On the other hand, 45 proteins were downregulated, including those from carbohydrate metabolism, lipid metabolism, and energy transfer. In the hemolymph, 21 upregulated proteins were reported to be involved in immunity, RNA processing, and mRNA-directed protein synthesis, while 7 downregulated proteins were implicated in energy transfer, hydrolysis, lipid metabolism, defense mechanisms, and amino acid storage-related functions. Subsequently, six target proteins were identified using labeled AzaA that interacted with whole insect proteins. In silico analysis suggests that AzaA could be efficiently accommodated in the hydrophobic pocket of juvenile hormone esterase and showed strong interaction with active site residues, indicating plausible targets of AzaA in H. armigera. Quantitative polymerase chain reaction analysis suggested differential gene expression patterns and partly corroborated the proteomic results. Overall, data suggest that AzaA generally targets more than one protein in H. armigera and hence could be a potent biopesticide.
}, issn = {2470-1343}, doi = {10.1021/acsomega.8b03479}, author = {Dawkar, Vishal V. and Barage, Sagar H. and Barbole, Ranjit S. and Fatangare, Amol and Grimalt, Susana and Haldar, Saikat and Heckel, David G. and Gupta, Vidya S. and Thulasiram, Hirekodathakallu V. and Svatos, Ales. and Giri, Ashok P.} } @article {47164, title = {Baicalein suppresses repeat tau fibrillization by sequestering oligomers}, journal = {Archives of Biochemistry and Biophysics}, volume = {675}, year = {2019}, month = {OCT}, pages = {108119}, type = {Article}, abstract = {
Alzheimer{\textquoteright}s disease (AD) is a neurodegenerative disorder caused by protein misfolding, aggregation and accumulation in the brain. A large number of molecules are being screened against these pathogenic proteins but the focus for therapeutics is shifting towards the natural compounds as aggregation inhibitors, mainly due to their minimum adverse effects. Baicalein is a natural compound belonging to the class of flavonoids isolated from the Chinese herb Scutellaria baicalensis. Here we applied fluorescence, absorbance, microscopy, MALDI-TOF spectrophotometry and other biochemical techniques to investigate the interaction between Tau and Baicalein in vitro. We found the aggregation inhibitory properties of Baicalein for the repeat Tau. Overall, the potential of Baicalein in dissolving the preformed Tau oligomers as well as mature fibrils can be of utmost importance in therapeutics for Alzheimer{\textquoteright}s disease.
}, keywords = {Alzheimer disease, Baicalein, Microtubule assembly, Paired helical filaments, Protein aggregation, tau protein}, issn = {0003-9861}, doi = {10.1016/j.abb.2019.108119}, author = {Sonawane, Shweta Kishor and Balmik, Abhishek Ankur and Boral, Debjyoti and Ramasamy, Sureshkumar and Chinnathambi, Subashchandrabose} } @article {46357, title = {Beneficial effects of Stevioside on AGEs, blood glucose, lipid profile and renal status in streptozotocin-induced diabetic rats}, journal = {Journal of Applied Biomedicine}, volume = {17}, year = {2019}, month = {APR}, pages = {190-197}, type = {Article}, abstract = {
The advanced glycated end products (AGEs) are formed in the diabetic patients; it is a major cause of macrovascular and microvascular complications in diabetes. Clinically there is no treatment available for the AGEs. Stveoside (Stv), a sweetener has potent anti-diabetic and anti-oxidant activity. Hence, we investigated its use in prevention of AGEs formation using in vitro and in vivo models. Diabetes was induced by streptozotocin (STZ). These rats were kept without treatment till blood HbA1c was markedly increased. They were then divided into 5 groups and treated orally with vehicle or Metformin (MET) or Stv respectively for 28 days. Every 7th day, animals were tested for body weight and blood glucose (BG). On the last day of treatment, all the groups were evaluated for physiological and biochemical parameters, histopathology and AGEs; N-carboxymethyl-lysine (CML) estimation. Stv showed inhibition of AGEs in in vitro as well as in in vivo respectively. Positive effects were seen on the BG, lipid profile and urine parameters as well it showed reduced formation of CML. It also showed antihyperglycaemic, antihyperlipedemic and nephroprotective activities. The present study provides scientific rationale for the use of Stv as a sweetener with additional benefits in diabetes.
}, keywords = {AGEs, Diabetes, Diabetes complications, N-carboxymethyl-lysine, Stevioside, Streptozotocin}, issn = {1214-021X}, doi = {10.32725/jab.2019.013}, author = {Aswar, Urmila and Gogawale, Vinayak and Miniyar, Pankaj and Patil, Yugendra} } @article {46076, title = {Bentonite - Clay - supported cuprous iodide nanoparticles (BENT- CuI NPs): a new heterogeneous catalyst in diversity - oriented synthesis of 1, 2, 3-triazoles in aqueous medium}, journal = {Chemistryselect}, volume = {4}, year = {2019}, month = {JUN }, pages = {7144-7150}, type = {Article}, abstract = {
Bentonite clay supported cuprous iodide nanoparticles (BENT-CuI NPs) were prepared and demonstrated for the first time as an efficient heterogeneous catalyst in diversity oriented, green synthesis of 1,2,3-triazoles by one-pot, three component reaction between alkyl halides, arylboronic acids, or epoxides with alkynes and sodium azide in aqueous medium. The catalyst was characterized by Inductively Coupled Plasma Atomic Emission Spectroscopy (ICP-AES), Energy Dispersive X-ray Spectroscopy(EDS), Scanning Electron Microscopy (SEM), X-Ray Powder Diffraction (XRD), Transmission Electron Microscopy (TEM) as well as Brunauer-Emmett-Teller (BET) techniques and was found to be reusable for five consecutive runs without significant loss of activity.
}, keywords = {1, 2, 3-triazoles, arylboronic acids, click synthesis, epoxides, green chemistry, heterogeneous catalyst}, issn = {2365-6549}, doi = {10.1002/slct.201900421}, author = {Chavan, V, Pramod and Charate, Shrinivas P. and Desai, V, Uday and Rode, V, Chandrashekhar and Wadgaonkar, Prakash P.} } @article {46136, title = {Bhaskar Dattatraya Kulkarni (1949-2019)}, journal = {Current Science}, volume = {116}, year = {2019}, month = {APR}, pages = {1261-1262}, type = {Biographical-Item}, issn = {0011-3891}, author = {Kumar, V. Ravi and Sivaram, S.} } @article {45602, title = {Bifunctional oxygen reduction and evolution activity in brownmillerites Ca2Fe(1- x)CoxO5}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {31{\textendash}38}, type = {Article}, abstract = {State-of-the-art catalysts for oxygen reduction and evolution reactions (ORR and OER), which form the basis of advanced fuel cell applications, are based on noble metals such as Pt and Ir. However, high cost and scarcity of noble metals have led to an increased demand of earth-abundant metal oxide catalysts, especially for bifunctional activity in ORR and OER. The fact that Pt and Ir or C, the cost-effective alternatives suggested, do not display satisfactory bifunctional activity has also helped in turning the interest to metal oxides which are stable under both ORR and OER conditions. Brownmillerite A2B2O5 type oxides are promising as bifunctional oxygen electrocatalysts because of intrinsic structural features, viz., oxygen vacancy and catalytic activity of the B-site transition metal. In this study, Co-doped Ca2Fe2O5 compounds are synthesized by the solid state method and structurally analyzed by Rietveld refinement of powder X-ray diffraction data. The compound Ca2Fe2O5, crystallizing in the Pcmn space group has alternative FeO4 tetrahedral and FeO6 octahedral layers. Its Co-doped analogue, Ca2Fe1.75Co0.25O5, also crystallizes in the same space group with both tetrahedral and octahedral Fe positions substituted with Co. However, Ca2FeCoO5 in the Pbcm space group shows interlayer ordering with Co-rich octahedra connected to Fe-rich tetrahedra and vice versa. Oxygen bifunctional activities of these catalysts are monitored by rotating disc electrode and rotating ring disc electrode techniques in alkaline media. A close analysis of the ORR and OER was conducted through comparison of various parameters such as onset potential, current density, halfwave potential, and other kinetic parameters, which suggests that the presence of Co in the B site aids in achieving better bifunctional activity and bulk conductivity. In addition, Co(II)/Co(III) redox systems and their comparative concentrations also play a decisive role in enhancing the activity.}, doi = {10.1021/acsomega.8b02468}, author = {Thundiyil, S. and Kurungot, S. and Devi, R. N.} } @article {46228, title = {Bioactivities and molecular networking-based elucidation of metabolites of potent actinobacterial strains isolated from the Unkeshwar geothermal springs in India}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {MAR}, pages = {9850-9859}, type = {Article}, abstract = {
The bioactive potential of Actinobacteria endemic to hot springs has rarely been investigated. This study highlights the cultivable diversity and bioactivities of Actinobacteria associated with the Unkeshwar hot springs, India. Potent strains were evaluated for their biosynthetic potentials and metabolite analysis was performed using effective dereplication molecular networking tools. A total of 86 actinobacterial strains were isolated and grouped into 21 distinct genera, based on 16S rRNA gene sequence analysis. These strains included rare members such as Micromonospora, Marmoricola, Actinomadura, Cellulomonas, Cellulosimicrobium, Janibacter, Rothia, Barrentisimonas, Dietzia and Glycomyces. In antimicrobial screening, Micromonospora sp. strain GH99 and Streptomyces sp. strain GH176 were found to be potent antimicrobial strains. The metabolic extracts of these strains exhibited strong antimicrobial activity against Staphylococcus epidermidis (NCIM 2493), Shigella flexneri (NCIM 5265), Klebsiella pneumonia (NCIM 2098), and Salmonella abony (NCIM 2257). The extracts also displayed strong anti-biofilm and anticancer activities against Pseudomonas aeruginosa (NCIM 5029), Acinetobacter junii (NCIM 5188) and breast cancer cell line MCF7, respectively. Both strains also tested positive for the presence of the PKS biosynthetic gene cluster in their genomes. To effectively delineate the secondary metabolites, the extracts were subjected to MS/MS-guided molecular networking analysis. Structurally diverse compounds including the polyketides 22-dehydroxymethyl-kijanolide (GH99 strain) and Abyssomicin I (GH176 strain) were detected in the extracts. Interestingly, Brevianamide F was detected in the extract of Micromonospora, which has previously been mostly found in fungal species. Other compounds such as cyclic tripeptides, Cyclo(l-Pro-d-Ile) and Cyclo(d-Pro-l-Phe), were also identified in this strain. In summary, for the first time, we explored the diversity of Actinobacteria and evaluated their bioactive potential from the Unkeshwar hot springs. The potent strains isolated in the study could be useful in drug discovery programs.
}, doi = {10.1039/c8ra09449g}, author = {Mehetre, Gajanan T. and Vinodh, J. S. and Burkul, Bhushan B. and Desai, D. and Santhakumari, B. and Dharne, Mahesh S. and Dastager, Syed G} } @inbook {47471, title = {Biochemical and molecular aspects of dimorphism in fungi}, booktitle = {Advancing Frontiers in Mycology \& Mycotechnology}, year = {2019}, pages = {69-94}, publisher = {Springer}, organization = {Springer}, abstract = {Most of the eukaryotic differentiation processes are unidirectional. However, fungi have the ability to grow reversibly as unicellular yeast (Y) or as filamentous hypha (H) in response to the specific strain-dependent environmental stimuli. Such a phenomenon known as {\textquotedblleft}dimorphism{\textquotedblright} is not limited to a specific class of fungi. Most of the plant, human, and insect pathogenic fungi show Y-H and reversible morphogenesis, associated with their saprophytic to pathogenic change, for survival and proliferation in the host. In this chapter, we have described the factors stimulating dimorphism, the signal transduction pathways induced by these stimuli, changes in the gene/protein expression patterns due to a cascade of these signals, and, finally, translation of this genotypic effect into phenotypic change, i.e., the morphological outcome. The process of fungal differentiation and formation of tumor cells follow the same regulatory series of events, involving cAMP, MAP, and RAS kinase cascades. Therefore, the molecules inhibiting Y-H transition in fungi can be explored for their anticancer potential.}, doi = {10.1007/978-981-13-9349-5_3}, author = {Pathan, Ejaj K. and Ghormade, Vandana and Panmei, Redeemson and Deshpande, Mukund V.} } @article {46042, title = {Biodegradation of mixed polycyclic aromatic hydrocarbons by pure and mixed cultures of biosurfactant producing thermophilic and thermo-tolerant bacteria}, journal = {Science of the Total Environment}, volume = {679}, year = {2019}, month = {AUG}, pages = {52-60}, type = {Article}, abstract = {
Applicability of thermophilic and thereto-tolerant microorganisms for biodegradation of polycyclic aromatic hydrocarbons (PAHs) with low water solubility is an interesting strategy for improving the biodegradation efficiency. In this study, we evaluated utility of thermophilic and thermo-tolerant bacteria isolated from Unkeshwar hot spring (India) for biodegradation of four different PAHs. Water samples were enriched in mineral salt medium (MSM) containing a mixture of four PAHs compounds (anthracene: ANT, fluorene: FLU, phenanthrenc: PHE and pyrene: PYR) at 37 degrees C and 50 degrees C. After growth based screening, four potent strains obtained which were identified as Aeribacillus pallidus (UCPS2), Bacillus axarquiensis (UCPD1), Bacillus siamensis (GHP76) and Bacillus subtilis subsp. inaquosorum (U277) based on the 16S rRNA gene sequence analysis. Degradation of mixed PAH compounds was evaluated by pure as well as mixed cultures under shake flask conditions using MSM supplemented with 200 mg/L concentration of PAHs (50 mg/L of each compound) for 15 days at 37 degrees C and 50 degrees C. A relatively higher degradation of ANT (92\% - 96\%), FLU (83\% - 86\%), PHE (16\% - 54\%) and PYR (51\% - 71\%) was achieved at 50 degrees C by Aeribacillus sp. (UCPS2) and mixed culture. Furthermore, crude oil was used as a substrate to study the degradation of same PAHs using these organisms which also revealed with similar results with the higher degradation at 50 degrees C. Interestingly, PAH-degrading strains were also positive for biosurfactant production. Biosurfactants were identified as the variants of surfactins (lipopeptide biosurfactants) based on analytical tools and phylogenetic analysis of the surfactin genes. Overall, this study has shown that hot spring microbes may have a potential for PAHs degradation and also biosurfactant production at a higher temperature, which could provide a novel perspective for removal of PAHs residues from oil contaminated sites. (C) 2019 Elsevier B.V. All rights reserved.
}, keywords = {Biodegradation, Biosurfactants, Crude oil, Mixed culture, PAHs, Thermophiles}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2019.04.376}, author = {Mehetre, Gajanan T. and Dastager, Syed G. and Dharne, Mahesh S.} } @article {46047, title = {Biodegradation of squalene and n-hexadecane by Gordonia amicalis HS-11 with concomitant formation of biosurfactant and carotenoids}, journal = {International Biodeterioration \& Biodegradation}, volume = {142}, year = {2019}, month = {AUG}, pages = {172-181}, type = {Article}, abstract = {
Gordonia amicalis HS-11 has been enriched from a hydrocarbon contaminated tropical soil sample. The ability of this organism to utilize a triterpenic polyunsaturated hydrocarbon, squalene (2,6,10,15,19,23-hexamethyl-6,6,10,14,18,20-tetracosahexane) and the model saturated hydrocarbon n-hexadecane is described here. The isolate degraded squalene and n-hexadecane (79 +/- 3.02 and 96 +/- 4.11\%, respectively) after eight days of incubation. The isolate produced an extracellular biosurfactant that reduced surface tension from 69 +/- 2.83 to 40 +/- 1.63 and 35 +/- 2.34 mN m(-1) with squalene and n-hexadecane as carbon sources, respectively, after 6 days. The Actinomycete cleaved squalene to geranylacetone and famesyl acetaldehyde that were further utilized for supporting growth. n-Hexadecane was degraded via monoterminal oxidation and activities of important enzymes (alkane hydroxylase and alcohol dehydrogenase) were highest (215 +/- 8.76 and 169 +/- 6.02 units mg(-1) protein, respectively) after four days. Cells grown on squalene were short and with n-hexadecane there were clumps of longer cells. Squalene and n-hexadecane-grown cell surfaces were smooth possibly due to extracellular surface active compounds. While growing on hydrophobic substrates, some cells were seen adhering to droplets and others were in the free form. The culture was able to simultaneously degrade hydrocarbons and produce two commercially relevant value-added products. The yield of the extracellular biosurfactant on n-hexadecane was 480 mg l(-1) and cells grown on squalene and n-hexadecane also yielded carotenoids (2.3 +/- 0.14 and 2.9 +/- 0.10 mg g(-1) dry cell weight, respectively). This is the first report on the utilization of squalene by Gordonia.
}, keywords = {Aerobic biodegradation, Carotenoids, Catabolic pathways, Emulsifier, Gordonia amicalis HS-11}, issn = {0964-8305}, doi = {10.1016/j.ibiod.2019.05.005}, author = {Sowani, Harshada and Deshpande, Ashish and Gupta, Vidya and Kulkarni, Mohan and Zinjarde, Smita} } @article {46419, title = {Biopolymer/glycopolypeptide-blended scaffolds: synthesis, characterization and cellular interactions}, journal = {Chemistry-An Asian Journal}, year = {2019}, month = {DEC}, type = {Article; Early Access}, abstract = {
Three-dimensional (3D) scaffolds formed from natural biopolymers gelatin and chitosan that are chemically modified by galactose have shown improved hepatocyte adhesion, spheroid geometry and functions of the hepatocytes. Galactose specifically binds to the hepatocytes via the asialoglycoprotein receptor (ASGPR) and an increase in galactose density further improves the hepatocyte proliferation and functions. In this work, we aimed to increase the galactose density within the biopolymeric scaffold by physically blending the biopolymers chitosan and gelatin with an amphiphlic beta-galactose polypeptide (PPO-GP). PPO-GP, is a di-block copolymer with PPO and beta-galactose polypeptide, exhibits lower critical solution temperature and is entrapped within the scaffold through hydrophobic interactions. The uniform distribution of PPO-GP within the scaffold was confirmed by fluorescence microscopy. SEM and mechanical testing of the hybrid scaffolds indicated pore size, inter connectivity and compression modulus similar to the scaffolds made from 100 \% biopolymer. The presence of the PPO-GP on the surface of the scaffold was tested monitoring the interaction of an analogous mannose containing PPO-GP scaffold and the mannose binding lectin Con-A. In vitro cell culture experiments with HepG2 cells were performed on GLN-GP and CTS-GP and their cellular response was compared with GLN and CTS scaffolds for a period of seven days. Within three days of culture the Hep G2 cells formed multicellular spheroids on GLN-GP and CTS-GP more efficiently than on the GLN and CTS scaffolds. The multicellular spheroids were also found to infiltrate more in GLN-GP and CTS-GP scaffolds and able to maintain their round morphology as observed by live/dead and SEM imaging.
}, keywords = {adhesion, Aggregates, Cellular infiltration, Spheroids}, issn = {1861-4728}, doi = {10.1002/asia.201901227}, author = {Dhaware, Vinita and Diaz, David Diaz and Sen Gupta, Sayam} } @inbook {47470, title = {Bioprospecting of fungal entomo- and myco-pathogens}, booktitle = {Advancing Frontiers in Mycology \& Mycotechnology}, year = {2019}, pages = {497-513}, publisher = {Springer}, organization = {Springer}, abstract = {The pest and pathogen control in the field using fungi and their metabolites has indeed gone beyond {\textquoteleft}proof of concept{\textquoteright}. However, in view of the performances of these biocontrol fungi in the fields, moreover, acceptability by the end users regarding cost-effectiveness, shelf life, intellectual property rights (IPR), the additional roles, and possible applications are being explored. Dual pathogenicity, viz. entomopathogenesis and mycoparasitism, has added the advantage of wide-spectrum biocontrol in single-crop system. In addition to plant protection, these fungi can promote plant growth. Further, in integrated pest management, the bioremediation of pesticide residues, if any, can also be achieved by these organisms. For value addition, use of cuticle-degrading and mycolytic enzymes produced as killing components can be explored in food, detergent, organic synthesis, and pharmaceutical industries. While exploring the additional applications, the safety to beneficial insects and fungi, biodiversity, and humans, in general, is also addressed.}, doi = {10.1007/978-981-13-9349-5_20}, author = {Pathan, E. K. and Patil, A. V. and Deshpande, M. V.} } @article {45563, title = {Biosynthesized Co-doped TiO2 nanoparticles based anode for lithium-ion battery application and investigating the influence of dopant concentrations on its performance}, journal = {Composites Part B: Engineering}, volume = {167}, year = {2019}, month = {JUN}, pages = {44-50}, type = {Article}, abstract = {TiO2 is a good alternative anode material for lithium-ion battery application because of its incomparable high structural stability and safety during the charge/discharge cycles. However, the low intrinsic conductivity of TiO2 has been a limiting factor affecting its cycling and rate capability performance. Here in this work, we present Co-doped TiO2 nanoparticles based anode with good reversibility, cycling stability and rate capability performance for its envisaged application in lithium-ion battery. The Co-doped TiO2 nanoparticles with different Co concentrations (3\%, 5\%, and 7\%) are synthesized using simple and economic biomediated green approach, wherein TiCl4 and Co precursors are allowed to react in Bengal gram bean extract containing biomolecules which act as natural capping agents to control the size of nanoparticles. Among the pure TiO2 and different Co-doped TiO2 samples, the 7\% Co-doped TiO2 anode show the highest capacity of 167 mAh g-1 (88.3\%) after 100 cycles at the 0.5C current density. The Co-doped TiO2 shows higher and stable coulombic efficiency up to 100 GCD cycles indicating good reversibility. Based on the results, it is expected that the Co-doped TiO2 nanoparticles might be contributing to the enhanced electronic conductivity providing an efficient pathway for fast electron transfer.}, doi = {10.1016/j.compositesb.2018.12.001}, author = {Kashale, A. A. and Rasal, A. S. and Kamble, G. P. and Ingole, V. H. and Dwivedi, P. K. and Rajoba, S. J. and Jadhav, L. D. and Ling, Y. C. and Chang, J. Y. and Ghule, A. V.} } @article {45566, title = {Borassus powder-reinforced poly(lactic acid) composites with improved crystallization and mechanical properties}, journal = {Journal of Applied Polymer Science}, volume = {136}, year = {2019}, month = {JAN}, pages = {Article No: 47440}, type = {Article}, abstract = {This article reports on the development of biocomposites based on polylactic acid (PLA) and borassus powder. Borassus powder was treated with alkali to remove hemicelluloses and lignin. The treated borassus improved the homogeneous mixing with PLA and increased the crystallinity of PLA. Dispersibility of the borassus was studied by scanning electron microscopy (SEM) and X-ray MicroCT. PLA/borassus composites were prepared by melt mixing of PLA with 5, 10, and 15 wt \% treated/untreated borassus. Composites were examined for mechanical properties and crystallization. Composites showed enhanced tensile strength compared to neat PLA. The PLA/treated borassus powder composites displayed higher crystallinity than PLA. The isothermal cold crystallization study showed increase in the crystallization rate of PLA in the presence of treated borassus. The spherulitic growth was studied using polarized optical microscopy. The enhanced performance of the PLA-borassus composites was observed in the presence of borassus. This study demonstrates that the PLA-borassus composites show great promise for bioplastics applications.}, doi = {10.1002/app.47440}, author = {Marathe, Y. N. and Arun, Torris A. T. and Ramesh, C. and Badiger, M. V.} } @article {46064, title = {Boron-conjugated pyrenes as fluorescence-based molecular probes and security markers}, journal = {ChemPlusChem}, year = {2019}, month = {JUL}, type = {Article}, abstract = {
Boron-embedded aromatic hydrocarbons are a class of molecules known for their distinct electronic and/or optoelectronic properties and are thus suitable for many potential applications. Among those, boronic ester and acid containing molecules have been widely used for sensing and molecular recognition applications, respectively. We compared the sensing and molecular recognition properties of two boron-containing pyrene derivatives for fluoride and glucose sensing applications. The presence of four boronate ester groups enabled fluoride ion sensing at the mu M level. The boronic acid derivative is very selective towards glucose compared to other saccharides. Furthermore, we used the mechano-responsive fluorescence changes and self-assembly of these derivatives, respectively, for fluorescence-based inkless and ink (water)-based writing in invisible security labeling applications.
}, keywords = {boron, carbohydrates, mechanoluminescence, pyrene, sensors}, issn = {2192-6506}, doi = {10.1002/cplu.201900280, Early Access Date = JULY, Early Access Year = 2019}, author = {Wakchaure, Vivek Chandrakant and Das, Tamal and Babu, Sukumaran Santhosh} } @article {46051, title = {Cadmium sulfide nanostructures: influence of morphology on the photocatalytic degradation of erioglaucine and hydrogen generation}, journal = {Applied Surface Science}, volume = {483}, year = {2019}, month = {JUL}, pages = {696-705}, type = {Article}, abstract = {
Size and shape of inorganic materials are known to have great effects on their physical and chemical properties. Here, for the first time we report the visible light driven photocatalytic degradation of erioglaucine - a stable organic dye molecule in the presence of chemically synthesized nanoscale CdS with 1D (nanorods), 2D (nanosheets) and 3D (hierarchical) morphology. Visible light driven photocatalytic degradation efficiency of both 1D and 3D CdS in the removal of erioglaucine are identical. Surprisingly, with 5 min of sonication, the highly crystalline 3D CdS stacked with many thin nanowires containing numerous active surface sites exhibited fourfold enhanced photodegradation efficiency in comparison to 1D and 2D CdS. Scavenger studies revealed that electrons and superoxide radicals are primary reactive species involved in the photodegradation of erioglaucine, while cyclic photodegradation studies revealed the good stability of 3D CdS against photocorrosion. Further, the photocatalytic hydrogen evolution studies also revealed the excellent activity of 3D CdS in comparison to 1D and 2D CdS. Thus, we find that the morphology indeed influences the photocatalytic activity. These results reveal that 3D CdS nanostructures investigated in the present work are efficient photocatalysts that could be fine-tuned for both environmental remediation and hydrogen generation applications.
}, keywords = {Cadmium sulfide, Erioglaucine, Hydrogen evolution, Nanostructures, Photocatalysis}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2019.04.018}, author = {Shenoy, Sulakshana and Jang, Eunyong and Park, Tae Joo and Gopinath, Chinnakonda S. and Sridharan, Kishore} } @article {46295, title = {Can the solvent enhance the rate of chemical reactions through C-H/pi interactions? insights from theory}, journal = {Physical Chemistry Chemical Physics}, volume = {21}, year = {2019}, month = {JUL}, pages = {14821-14831}, type = {Article}, abstract = {
The current computational study with density functional theory (DFT) shows that the rate of chemical reactions can be influenced through non-covalent C-H/p interactions between substrates and the solvent. It is shown that intramolecular carbon-carbon interaction and CO2 activation by a low valent silicon complex are both favourably affected by the explicit presence of the solvent toluene, due to C-H/p interactions between toluene and the silicon complex. Furthermore, ab initio molecular dynamics (AIMD) simulations demonstrate that even if the C-H/p interacting solvent molecule is displaced from the complex, another would quickly take its place, thus maintaining the interaction. Hence, the current work shows how non-covalent interactions between solvent and substrate can enhance the rate of the reaction and expands our understanding of the role and influence of the solvent in effecting important chemical transformations.
}, issn = {1463-9076}, doi = {10.1039/c9cp02646k}, author = {Jain, Shailja and Vanka, Kumar} } @article {46294, title = {Carbon derived from soft pyrolysis of a covalent organic framework as a support for small-sized RuO2 showing exceptionally low overpotential for oxygen evolution reaction}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {AUG}, pages = {13465-13473}, type = {Article}, abstract = {
Electrochemical water splitting is the most energy-efficient technique for producing hydrogen and oxygen, the two valuable gases. However, it is limited by the slow kinetics of the anodic oxygen evolution reaction (OER), which can be improved using catalysts. Covalent organic framework (COF)-derived porous carbon can serve as an excellent catalyst support. Here, we report high electrocatalytic activity of two composites, formed by supporting RuO2 on carbon derived from two COFs with closely related structures. These composites catalyze oxygen evolution from alkaline media with overpotentials as low as 210 and 217 mV at 10 mA/cm(2), respectively. The Tafel slopes of these catalysts (65 and 67 mV/dec) indicate fast kinetics compared to commercial RuO2. The observed activity is the highest among all RuO2-based heterogeneous OER catalysts-a touted benchmark OER catalyst. The high catalytic activity arises from the extremely small-sized (similar to 3-4 nm) RuO2 nanoparticles homogeneously dispersed in a micro-mesoporous (BET = 517 m(2)/g) COF-derived carbon. The porous graphenic carbon favors mass transfer, while its N-rich framework anchors the catalytic nanoparticles, making it highly stable and recyclable. Crucially, the soft pyrolysis of the COF enables the formation of porous carbon and simultaneous growth of small RuO2 particles without aggregation.
}, issn = {2470-1343}, doi = {10.1021/acsomega.9b01777}, author = {Chakraborty, Debanjan and Nandi, Shyamapada and Illathvalappil, Rajith and Mullangi, Dinesh and Maity, Rahul and Singh, Santosh K. and Haldar, Sattwick and Vinod, Chathakudath P. and Kurungot, Sreekumar and Vaidhyanathan, Ramanathan} } @article {46297, title = {Cascade energy transfer and tunable emission from nanosheet hybrids: locating acceptor molecules through chiral doping (vol 53, pg 7072, 2017)}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JUN }, pages = {6462-6462}, type = {Correction}, abstract = {
Correction for {\textquoteleft}Cascade energy transfer and tunable emission from nanosheet hybrids: locating acceptor molecules through chiral doping{\textquoteright} by Goudappagouda et al., Chem. Commun., 2017, 53, 7072-7075.
}, issn = {1359-7345}, doi = {10.1039/c9cc90228g}, author = {Goudappagouda and Wakchaure, Vivek Chandrakant and Ranjeesh, Kayaramkodath Chandran and Abhai, Chalona Antony Ralph and Babu, Sukumaran Santhosh} } @article {47490, title = {Catalytic hydrogenation products of aromatic and aliphatic dicarboxylic acids}, journal = {Asian Journal of Chemistry}, volume = {31}, year = {2019}, month = {APR}, pages = {1137-1142}, type = {Article}, abstract = {Hydrogenation of aromatic dicarboxylic acids gave 100 \% selectivity to respective cyclohexane dicarboxylic acid with 5 \% Pd/C catalyst. 5 \% Ru/C catalyst was observed to give over hydrogenation products at 493 K and at lower temperature (453 K) the selectivity for cyclohexane dicarboxylic acids was increased. Hydrogenation of phthalic acid with Ru-Sn/Al2O3 catalyst was observed to give phthalide instead of 1,2-benzene dimethanol or 2-hydroxy methyl benzoic acid. Ru-Sn/Al2O3 catalyst selectively hydrogenated the carboxylic group of cyclohexane dicarboxylic acids to give cyclohexane dimethanol. Use of proper catalysts and reaction conditions resulted in desired products.}, doi = {10.14233/ajchem.2019.21921}, author = {Shinde, Sunil and Deshpande, Raj M.} } @article {45488, title = {CFD modelling of almond drying in a tray dryer}, journal = {Canadian Journal of Chemical Engineering}, volume = {97}, year = {2019}, month = {FEB}, pages = {560-572}, type = {Article}, abstract = {
Drying is important in many food processing applications, and particularly so in the dry fruits industry. This work is focused on developing computational models for simulating the drying of almonds in a tray dryer. It is important to quantitatively understand heat and mass transfer within and around a single almond particle as well as the particle-particle interactions and their implications for dryer design. In this work, we have developed a systematic CFD modelling framework for modelling almond drying in a tray dryer. A single tray filled with almonds (similar to 2 kg) were dried at three set temperatures viz., 55, 65, and 75 degrees C. Air relative humidity at the inlet and outlet locations, and the weight of almonds were measured during drying for each experiment. An additional set of experiments were conducted in which almonds were filled only in the half section of the tray, keeping the other half empty. The same amount of almonds were used, to have multiple layers of almonds in the tray, and the set temperature for the experiment was 75 degrees C. Flow, heat, and mass transfer in the tray dryer were simulated using commercial CFD software Ansys Fluent. The validated computational model was used to simulate various cases including larger and more trays. The developed approach and models will be useful to select the appropriate dryer configuration and optimize its design. The developed models will also be useful to identify suitable operation conditions for the drying of almonds as well as other food products.
}, keywords = {Almonds, CFD, Drying, scale-up, tray dryer}, issn = {0008-4034}, doi = {10.1002/cjce.23357}, author = {Chilka, Amarvir G. and Ranade, Vivek V.} } @article {46415, title = {C-H functionalization of indoles by 3d transition-metal catalysis}, journal = {Asian Journal of Organic Chemistry}, year = {2019}, month = {DEC}, type = {Review; Early Access}, abstract = {
Over the past decade, the use of 3d transition metal for the regioselective C-H bond functionalization of indoles has significantly increased. Particularly, advances in manganese, iron, cobalt, nickel and copper catalysis have demonstrated the selective C(2)-H and C(3)-H arylation, alkenylation, alkynylation and alkylation to a greater extent. Similarly, the C-O and C-N bond-forming reactions are manifested via direct C-H bond activation by these earth-abundant metals. The emergence of 3d metals in selective functionalization of the biologically relevant indoles and related heteroarenes would make this protocol more attractive for practical applications. Herein, we provide a brief overview of 3d transition metal-catalyzed (mostly Mn, Fe, Co, Ni and Cu) C-H functionalization of indoles and related heteroarenes.
}, keywords = {3d transition metal, C-H functionalization, Indole, indoline}, issn = {2193-5807}, doi = {10.1002/ajoc.201900554}, author = {Jagtap, Rahul A. and Punji, Benudhar} } @article {45568, title = {Characterization of novel acidic and thermostable phytase secreting Streptomyces sp. (NCIM 5533) for plant growth promoting characteristics}, journal = {Biocatalysis and Agricultural Biotechnology}, volume = {18}, year = {2019}, month = {MAR}, pages = {Article No: 101020}, type = {Article}, abstract = {Successful agricultural practices in acidic and arid region soils are still challenging worldwide. We investigated Actinomycete strain obtained from soil, which was found to produce extracellular phytase having the optimum pH, temperature of 2.5 and 70 {\textdegree}C, respectively and Plant growth promoting (PGP) attributes. These abilities of the phytase make it novel as compared to other Streptomyces derived phytases. Strain was also evaluated for physiological traits such as salinity, temperature, and pH followed by morphological and molecular identification. The Streptomyces sp. strain (NCIM 5533) displayed additional PGP traits such as indole-3-acetic acid (IAA), ammonia and phosphate solubilization activity. A significant increment in Tomato plant (Solanum lycopersicum) root, shoot and as well as total height in bioassays at laboratory scale and green house level and its ability to colonize roots substantiated its potency as a true plant growth promoting rhizobacteria (PGPR). To our knowledge this is the first report of Streptomyces sp. having the ability to produce acidic and thermostable phytase as well as PGP traits showing enhanced plant growth could have implications in soils having acidic nature and also in arid region.}, doi = {10.1016/j.bcab.2019.101020}, author = {Puppala, K. R. and Bhavsar, K. and Sonalkar, V. and Khire, J. M. and Dharne, M. S.} } @article {46084, title = {Characterizing microvoids in regenerated cellulose fibers obtained from viscose and lyocell processes}, journal = {Macromolecules}, volume = {52}, year = {2019}, month = {JUN}, pages = {3987-3994}, type = {Article}, abstract = {
Regenerated cellulose fibers are among the most widely used bio-derived materials. Currently, there is great interest in transitioning from the traditional viscose process to the more environmentally friendly lyocell process for fiber production. Differences between the characteristics of viscose and lyocell fibers can be attributed to microstructural differences that arise due to differences in the processing techniques. Here, we use small-angle scattering to characterize the microvoids in regenerated cellulose fibers that might govern the onset of mechanical failure in these. In regenerated cellulose fibers, scattering of X-rays or neutrons at small angles is largely dominated by scattering from microvoids. We demonstrate that small angle X-ray scattering (SAXS) over the q range that is typical for most commercial instruments arises from Porod scattering from the microvoid surfaces, viz., the scattered intensity scales as q(-4). Therefore, it is not possible to extrapolate this data to lower q to obtain microvoid dimensions and volume fraction. We combine SAXS with medium-resolution small-angle neutron scattering to characterize the microvoids in regenerated cellulose fibers. Specifically, we compare fibers produced using the viscose process with those from the lyocell process. For both viscose and lyocell fibers, microvoids have a high aspect ratio and are elongated in the fiber direction. Also, the volume fraction occupied by the microvoids is comparable for viscose and lyocell fibers (0.04-0.05\%). However, there are differences in the microvoid size: Microvoids are more highly oriented in lyocell fibers and have a larger average length and diameter compared with viscose fibers. This result might have important implications for understanding failure of these fibers.
}, issn = {0024-9297}, doi = {10.1021/acs.macromol.9b00487}, author = {Sharma, Aakash and Sen, Debasis and Thakre, Shirish and Kumaraswamy, Guruswamy} } @article {46204, title = {Charge transfer liquid: a stable donor-acceptor interaction in the solvent-free liquid state}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {AUG}, pages = {9371-9374}, type = {Article}, abstract = {
Charge-transfer complexes have been an inspiration to develop many functional soft materials. However, most of those studies have focused on solution based assemblies wherein the explicit control of solvents and their polarity are crucial. In this context, we explore an efficient and stable charge transfer liquid using a solvent-free liquid dialkoxynaphthalene donor and a naphthalenediimide acceptor. It has been observed that irrespective of the donor-acceptor ratio, the charge-transfer liquid exhibited an unprecedented stability and retained characteristic features even at increased temperatures. The underlying intermolecular interactions leading to efficient CT have been examined by NMR techniques together with theoretical modelling studies. The concept of charge transfer liquid will be highly beneficial for the development of processable optoelectronically active materials.
\
}, doi = {10.1039/c9cc03671g}, author = {Wakchaure, Vivek Chandrakant and Pillai, Lekshmi, V and Goudappagouda and Ranjeesh, Kayaramkodath Chandran and Chakrabarty, Suman and Ravindranathan, Sapna and Rajamohanan, Pattuparambil R and Babu, Sukumaran Santhosh} } @article {46434, title = {Chiral separation of styrene oxides supported by enantiomeric tetrahedral neutral Pd(II) cages}, journal = {Inorganic Chemistry}, volume = {58}, year = {2019}, month = {NOV}, pages = {15017-15020}, type = {Article}, abstract = {
The separation of enantiomers is of considerable importance in the preparation of the compounds of biological interests, catalysis, and drug development. Here, we report a novel enantioseparation of styrene epoxides (SOs) resolved in the presence of a pair of enantio-enriched tetrahedral cages. Chiral neutral cages of formula [(Pd3X*)(4)(C6O4Cl2)(6)] ([X*](3-) = RRR-or SSS-[PO(N(*CH(CH3)Ph)(3)](3)) are constructed from Pcl, building units supported by tris(imido)phosphate trianions and chloranilate linkers. These cages exhibit considerable enantioselective separation capabilities toward a series of styrene epoxides via a crystallization inclusion method. A highest enantiomeric excess (ee) value of up to 80\% is achieved for the (R)-4-fluorostyrene oxide.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.9b02389}, author = {Rajasekar, Prabhakaran and Pandey, Swechchha and Ferrara, Joseph D. and Del Campo, Mark and Le Magueres, Pierre and Boomishankar, Ramamoorthy} } @article {45514, title = {Clathrin-mediated endocytosis regulates a balance between opposing signals to maintain the pluripotent state of embryonic stem cells}, journal = {Stem Cell Reports}, volume = {12}, year = {2019}, month = {JAN }, pages = {152-164}, type = {Article}, abstract = {
Endocytosis is implicated in the maintenance of embryonic stem cell (ESC) pluripotency, although its exact role and the identity of molecular players remain poorly understood. Here, we show that the clathrin heavy chain (CLTC), involved in clathrin-mediated endocytosis (CME), is vital for maintaining mouse ESC (mESC) pluripotency. Knockdown of Cltc resulted in a loss of pluripotency accompanied by reduced E-cadherin (E-CAD) levels and increased levels of transforming growth factor beta (TGF-beta) and extracellular signal-regulated kinase (ERK) signaling. We demonstrate that both E-CAD and TGF-beta receptor type 1 (TGF-beta R1) are internalized through CME in mESCs. While E-CAD is recycled, TGF-beta R1 is targeted for lysosomal degradation thus maintaining inverse levels of these molecules. Finally, we show that E-CAD interacts with ERK, and that the decreased pluripotency upon CME loss can be rescued by inhibiting TGF-beta R, MEK, and GSK3 beta, or overexpressing E-CAD. Our results demonstrate that CME is critical for balancing signaling outputs to regulate ESC pluripotency, and possibly cell fate choices in early development.
}, issn = {2213-6711}, doi = {10.1016/j.stemcr.2018.11.018}, author = {Narayana, V, Yadavalli and Gadgil, Chetan and Mote, Ridim D. and Rajan, Raghav and Subramanyam, Deepa} } @article {46154, title = {Click chemistry based multicomponent approach in the synthesis of spirochromenocarbazole tethered 1,2,3-triazoles as potential anticancer agents}, journal = {Bioorganic Chemistry}, volume = {85}, year = {2019}, month = {APR}, pages = {475-486}, type = {Article}, abstract = {
A series of spirochromenocarbazole tethered 1,2,3-triazoles were synthesized via click chemistry based one-pot, five component reaction between N-propargyl isatins, malononitrile, 4-hydroxycarbazole, aralkyl halides and sodium azide using cellulose supported CuI nanoparticles (Cell-CuI NPs) as the heterogeneous catalyst. Antiproliferative activity of all the synthesized compounds was investigated against panel of cancer cell lines such as MCF-7, MDA-MB-231, HeLa, PANG-1, A-549, and THP-1. Many of the synthesized compounds exhibited good anti-proliferative activity against breast (MCF-7 and MDA-MB-231) and cervical (HeLa) cancer cells with IC50 values less than 10 mu M. In case of MCF-7 cells, among the nine compounds that showed good anti-proliferative activity, compounds 6f and 6j were found to be highly potent (IC50 , = 2.13 mu M and 4.80 mu M, respectively). In case of MDA-MB-231, three compounds (6k, 6j and 6s) showed antiproliferative activity amongst which 6k was the most potent one (IC50 = 3.78 mu M). On the other hand, in cervical cancer HeLa cells, compounds 6b, 6g, 6s and 6u showed excellent antiproliferative activity (IC50 = 4.05, 3.54, 3.83, 3.35 mu M, respectively). All the compounds were found to be nontoxic to the human umbilical vein endothelial cells (HUVECs). AO and EtBr staining and fluorescence microscopy studies of the active compounds (IC50 \< 5 mu M) suggested that these compounds induce cell death by apoptosis.
}, keywords = {1, 2, 3-Triazolylspirochromenocarbazole, Anticancer, Apoptotic assay, Click chemistry, Cytotoxicity, heterogeneous catalysis, Multicomponent synthesis}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2019.01.070}, author = {Chavan, V, Pramod and Desai, V, Uday and Wadgaonkar, Prakash P. and Tapase, Savita R. and Kodam, Kisan M. and Choudhari, Amit and Sarkar, Dhiman} } @article {46114, title = {Clopidogrel eluting electrospun polyurethane/polyethylene glycol thromboresistant, hemocompatible nanofibrous scaffolds}, journal = {Journal of Biomaterials Applications}, volume = {33}, year = {2019}, month = {MAY}, pages = {1327-1347}, type = {Article}, abstract = {
Biomaterials used as blood-contacting material must be hemocompatible and exhibit lower thrombotic potential while maintaining hemostasis and angiogenesis. With the aim of developing thromboresistant, hemocompatible nanofibrous scaffolds, polyurethane/polyethylene glycol scaffolds incorporated with 1, 5, and 10 wt\% Clopidogrel were fabricated and evaluated for their physiochemical properties, biocompatibility, hemocompatibility, and antithrombotic potential. The results of physicochemical characterization revealed the fabrication of nanometer-sized scaffolds with smooth surfaces. The incorporation of both polyethylene glycol and Clopidogrel to polyurethane enhanced the hydrophilicity and water uptake potential of polyurethane/polyethylene glycol/Clopidogrel scaffolds. The dynamic mechanical analysis revealed the enhancement in mechanical strength of the polyurethane/polyethylene glycol scaffolds on incorporation of Clopidogrel. The polyurethane/polyethylene glycol/Clopidogrel scaffolds showed a tri-phasic drug release pattern. The results of hemocompatibility assessment demonstrated the excellent blood compatibility of the polyurethane/polyethylene glycol/Clopidogrel scaffolds, with the developed scaffolds exhibiting lower hemolysis, increased albumin and plasma protein adsorption while reduction in fibrinogen adsorption. Further, the platelet adhesion was highly suppressed and significant increase in coagulation period was observed for Clopidogrel incorporated scaffolds. The results of cell adhesion and cell viability substantiate the biocompatibility of the developed nanofibrous scaffolds with the HUVEC cell viability on polyurethane/polyethylene glycol, polyurethane/polyethylene glycol/Clopidogrel-1, 5, and 10\% at day 7 found to be 12.35, 13.36, 14.85, and 4.18\% higher as compared to polyurethane scaffolds, and the NIH/3T3 cell viability found to be 35.27, 70.82, 36.60, and 7.95\% higher as compared to polyurethane scaffolds, respectively. Altogether the results of the study advocate the incorporation of Clopidogrel to the polyurethane/polyethylene glycol blend in order to fabricate scaffolds with appropriate antithrombotic property, hemocompatibility, and cell proliferation capacity and thus, might be successfully used as antithrombotic material for biomedical application.
}, keywords = {adhesion, cardiovascular, coagulation, electrospinning, Hemocompatible, platelet}, issn = {0885-3282}, doi = {10.1177/0885328219832984}, author = {Shitole, Ajinkya A. and Giram, Prabhanjan S. and Raut, Piyush W. and Rade, Priyanka P. and Khandwekar, Anand P. and Sharma, Neeti and Garnaik, Baijayantimala} } @article {46268, title = {Co amorphous valsartan nifedipine system: Preparation, characterization, in vitro and in vivo evaluation}, journal = {European Journal of Pharmaceutical Sciences}, volume = {139}, year = {2019}, month = {NOV}, type = {Article}, abstract = {
Co amorphous systems are supersaturated drug delivery systems which offer a basic platform for delivery of multicomponent adducts (combination of more than one active pharmaceutical ingredient (API)) and/or as a fixed dose combination therapy, in addition to their potential to improve the apparent solubility, dissolution rate and ultimately bioavailability of poorly water soluble APIs. In the present work, a new drug-drug co amorphous system namely valsartan-nifedipine was prepared by quench cooling technique. Prepared co amorphous system was characterized for its solid state behavior with the help of Fourier Transform Infrared spectroscopy (FTIR), Differential Scanning Calorimetry (DSC) and Powder X Ray Diffractometry (PXRD). The optimized co amorphous system was stable for 1 month when exposed to accelerated stability condition (40 +/- 2 degrees C and 75 +/- 5\% RH). The improved stability of amorphous nifedipine in co amorphous system was attributed to improved miscibility and intra and intermolecular non-covalent interactions mainly due to presence of hydrogen bonding between valsartan and nifedipine which was studied by FTIR analysis. Co amorphous systems were evaluated by mainly in vitro dissolution and in vivo benefit. In vitro dissolution study showed nearly 5.66 folds and 1.61 folds improvement which was translated to 3.63 and 2.19 times enhancement in vivo C-max for nifedipine and valsartan respectively.
}, doi = {10.1016/j.ejps.2019.105048}, author = {Lodagekar, Anurag and Chavan, Rahul B. and Mannava, M. K. Chaitanya and Yadav, Balvant and Chella, Naveen and Nangia, Ashwini K. and Shastri, Nalini R.} } @article {46345, title = {Cocrystallization of 2,3-dihydroxynaphthalene with its para-, meta-, and ortho-ditoluates: insight into cocrystal formation and clues for the construction of supramolecular assemblies capable of intermolecular acyl group transfer reactivity (vol 15, pg 12}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {OCT}, pages = {5998}, type = {Correction}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01022}, author = {Tamboli, Majid I. and Bahadur, Vir and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article {45530, title = {Cocrystals, salts, and supramolecular gels of nonsteroidal anti inflammatory drug niflumic acid}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {JAN}, pages = {219-230}, type = {Article}, abstract = {
Niflumic acid (NFA) is a nonsteroidal anti-inflammatory drug (NSAID) classified under the BCS (Biopharmaceutical Classification System) Class II category of poor aqueous solubility and high permeability. In an attempt to improve the physicochemical properties of NFA, particularly solubility and dissolution rate by cocrystallization and salt formation, cocrystals of NFA were prepared with caprolactam (CPR, 1:1) and 2-hydroxy pyridine (2HP, 1:1) as well as salts with piperazine (PIP, 1:0.5), benzenesulfonic acid (BSA, 1:1), benzyl amine (BZA, 1:1 and 2:2), and tyramine (TYA, 1:1). The new solid forms were characterized by powder X-ray diffraction, infrared spectroscopy, and differential scanning calorimetry and confirmed by single crystal X-ray diffraction. In the cocrystals NFA CPR and NFA-2HP, the cyclic amide of the coformer forms a dimer synthon through N-H center dot center dot center dot O hydrogen bonds and such dimers extend through O-H center dot center dot center dot O hydrogen bonds. In piperazine, benzyl amine, and tyramine salts, proton transfer occurs from the NFA to the basic nitrogen of the coformer, and in NFA BSA salt, the proton is transferred from benzenesulfonic acid to the pyridine nitrogen of NFA. In addition to the above salts and cocrystals, supramolecular gels of NFA-PIP and NFA-BZA salts are reported, which were obtained from nitrobenzene, methyl salicylate, menthol, and mesitylene solvents. These gels were studied by rheology. Solubility and dissolution rate of the novel solid forms (NFA CPR, NFA PIP, NFA BSA, and NFA TYA) in 20\% EtOH water showed the best behavior for NFA-TYA salt with improvement of 42-and 54-times in solubility and dissolution rate compared to the reference drug. The remaining solids such as NFA-PIP, NFA-BSA salts, and NFA-CPR cocrystal exhibited improvement of 39-, 18-, 1.4-times in solubility and 7.8-, 10-, 2-times for dissolution rate.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b01298}, author = {Mittapalli, Sudhir and Mannava, M. K. Chaitanya and Sahoo, Rasmita and Nangia, Ashwini} } @article {46105, title = {Cold thermal response of an amyloid oligomer differs from typical globular protein cold denaturation}, journal = {Journal of Physical Chemistry Letters}, volume = {10}, year = {2019}, month = {MAY }, pages = {2453-2457}, type = {Article}, abstract = {
In contrast with the general behavior of folded proteins, the cold thermal response of amyloid assemblies is difficult to elicit with simple models. We exploit exhaustive simulations to evaluate the thermal response of a barrel-shaped model amyloid oligomer, with a distinct hydrophobic core akin to that of folded proteins. Cumulative thermal data over the range of 210-483 K indicate a sharp inflection and rise in structural stability as the temperature is decreased below the melting temperature of the water model. This is not commensurate with the equilibrium free energy profile obtained with core packing as the order parameter. However, energetic analyses and the size of their fluctuations indicate the crucial role of hydration in mediating structural transitions, beyond the expected temperature-dependent hydrophobic effect. Structural ordering of the hydration layer over bulk water is maximized at the transition and vanishes at high temperatures. This is a first direct demonstration of the microscopic influence of hydration water on the low-temperature response of an amyloid assembly close to the cryo-regime.
}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b00709}, author = {Menon, Sneha and Sengupta, Neelanjana} } @article {47173, title = {Comparative study of a class of mean field theories of the glass transition}, journal = {Journal of Statistical Mechanics-Theory and Experiment}, volume = {2019}, year = {2019}, month = {AUG}, pages = {084008}, type = {Article}, abstract = {
In a recently developed microscopic mean field theory, we have shown that the dynamics of a system, when described only in terms of its pair structure, can predict the correct dynamical transition temperature. Further, the theory predicted the difference in dynamics of two systems (the Lennard-Jones and the Weeks-Chandler-Andersen) despite them having quite similar structures. This is in contrast to the Schweizer-Saltzman (SS) formalism which predicted the dynamics of these two systems to be similar. The two theories although similar in spirit have certain differences. Here we present a comparative study of these two formalism to find the origin of the difference in their predictive power. We show that not only the dynamics in the potential energy surface, as described by our earlier study, but also that in the free energy surface, like in the SS theory, can predict the correct dynamical transition temperature. Even an approximate one component version of our theory, similar to the system used in the SS theory, can predict the transition temperature reasonably well. Interestingly, we show here that despite the above mentioned shortcomings the SS theory can actually predict the correct transition temperatures. Thus microscopic mean field theories of this class which express dynamics in terms of the pair structure of the liquid while being unable to predict the actual dynamics of the system are successful in predicting the correct dynamical transition temperature.
}, keywords = {aging, etc), glasses (colloidal, glassy dynamics, mode coupling theory, Polymer, slow relaxation}, issn = {1742-5468}, doi = {10.1088/1742-5468/ab3115}, author = {Saha, Indranil and Nandi, Manoj Kumar and Dasgupta, Chandan and Bhattacharyya, Sarika Maitra} } @article {46418, title = {Comparative study of anomalous size dependence of charged and neutral solute diffusion in water}, journal = {Journal of Physical Chemistry B}, volume = {123}, year = {2019}, month = {DEC}, pages = {10275-10285}, type = {Article}, abstract = {
We present a comparative study of size dependence of diffusion for charged and neutral solutes in water. Although both show nonmonotonicity of the size dependence of diffusion, their nature and origin are quite different. For neutral solutes, the peak position and the value of diffusion at the maximum are both independent of the solute water interaction. Interestingly, for charged solutes, with an increase in solute water interaction strength, the peak position shifts to lower solute sizes and with an increase in charge, it shifts to higher solute sizes. The diffusion value at the peak reduces with an increase in both solute water interaction and solute charge. We show that all these features observed for charged solutes can be understood in terms of the interplay between ionic and nonionic interactions which is definitely absent for neutral solutes. Some of the earlier studies addressing the nonmonotonicity in diffusion did suggest the interplay between the two interactions to be the cause. However, this is the first time we show that such an interplay gives rise to the nonmonotonicity in the potential energy which is a prerequisite for obtaining the nonmonotonicity in the diffusion. Such nonmonotonicity in the potential energy is absent for neutral solutes.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.9b08023}, author = {Acharya, Sayantan and Nandi, Ujjwal K. and Bhattacharyya, Sarika Maitra} } @article {45521, title = {Comparison of different water models for melting point calculation of methane hydrate using molecular dynamics simulations}, journal = {Chemical Physics}, volume = {516}, year = {2019}, month = {JAN }, pages = {6-14}, type = {Article}, abstract = {
Molecular dynamics simulation is a powerful tool to understand the gas hydrate nucleation, growth, and dissociation at molecular level. Prerequisite of super-cooling during gas hydrate formation and a certain degree of super-healing during melting shows significant hysteresis in the transition between solid and liquid state due to large nucleation barrier. Different water models quantitatively differ in their prediction of thermodynamic and kinetic properties of bulk water, including phase behaviour. The present work carries out a systematic investigation of the effect of the chosen water model on the phase behaviour, in particular, the decomposition of methane hydrate. Void-induced melting has been used to predict the melting point of methane hydrate using TIP4P/Ice, TIP4P/2005, TIP4P, and SPC/E water models. This method avoids the need for a predetermined interface for melting point calculations and thus may have its importance in identifying dissociation kinetics of bulk hydrate.
}, keywords = {decomposition, Gas hydrates, Void-induced melting, Water models}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2018.08.036}, author = {Choudhary, Nilesh and Chakrabarty, Suman and Roy, Sudip and Kumar, Rajnish} } @article {46037, title = {Comprehensive analytical model for polarization curve of a PEM fuel cell and experimental validation}, journal = {Chemical Engineering Science}, volume = {206}, year = {2019}, month = {OCT 12}, pages = {96-117}, type = {Article}, abstract = {
The kinetics of cathodic oxygen reduction reaction (ORR) in a proton exchange membrane fuel cell (PEMFC) is significantly modulated by the resistances for transport of reactants to the catalytic sites offered by different components of the fuel cell. This modulation governs the polarization curve of the PEMFC. Consequently, the various operating, geometric and material parameters of the fuel cell dictate the polarization curve. The effects of these parameters on the polarization curve over the entire range of current density, from zero to limiting current, can be predicted using detailed numerical simulations, which are however expensive. Analytical models, although simple can capture the essential details of physico-chemical processes occurring inside a PEMFC and are significantly inexpensive. In this article, we derive an analytical equation of the polarization curve which is valid over the entire range of current density. Specifically, the representative situation of a humidified low temperature PEMFC is considered wherein oxygen transport resistance in the cathode catalyst layer (CCL) is encountered at lower current density than proton transport resistance in the CCL. A novel experimental methodology is illustrated to confirm that this is indeed the case. Next, we elucidate a procedure to determine in-situ oxygen diffusion coefficients in the various domains of an operational PEMFC. Finally, it is shown that the analytical polarization curve predicted using these parameters is in excellent agreement with the experimental and numerically simulated polarization curves over the entire range of current density. The significance of this work is that the analytical model relates the performance of a PEMFC to all operating and geometric parameters as well as the average transport and kinetic properties of the materials used in its different components, without the need for computationally expensive numerical simulations. The model can therefore provide useful insights for enhancing the performance of PEMFC in different regimes of current density as well as for diagnostic purposes. (C) 2019 Elsevier Ltd. All rights reserved.
}, keywords = {Fuel cell equation, Modelling, PEMFC, Polarization curve}, issn = {0009-2509}, doi = {10.1016/j.ces.2019.05.022}, author = {Thosar, Aniket U. and Agarwal, Harshal and Govarthan, S. and Lele, Ashish K.} } @article {46353, title = {Concise formal synthesis of (-)-(6R,11R,14R)-colletallol via D-proline catalysed alpha-aminooxylation-Wittig olefination strategy}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {58}, year = {2019}, month = {SEP}, pages = {1029-1036}, type = {Article}, abstract = {
An efficient enantioselective formal synthesis of marine macrolide (-)-(6R,11R,14R)-colletallol has been achieved starting from commercially available raw materials. The key reactions include the D-proline catalyzed a-aminooxylation of aldehyde followed by Horner-Wardsworth-Emmons olefination in a sequential fashion to give the macrolide key intermediate 5 in high enantiomeric purity (97\% ee) and high overall yield (32\%).
}, keywords = {alpha-aminoxylation, Asymmetric synthesis, Enantioselectivity, Natural products, organocatalysis}, issn = {0376-4699}, author = {Dey, Soumen and Gadakh, Sunita and Sudalai, Arumugam} } @article {46088, title = {Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C-3 symmetric molecule (vol 54, pg 212, 2018)}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JUN }, pages = {6461}, type = {Correction}, abstract = {
Correction for {\textquoteleft}Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C-3 symmetric molecule{\textquoteright} by Kilingaru I. Shivakumar et al., Chem. Commun., 2018, 54, 212-215.
}, issn = {1359-7345}, doi = {10.1039/c9cc90229e}, author = {Shivakumar, Kilingaru I. and Goudappagouda and Gonnade, Rajesh G. and Babu, Sukumaran Santhosh and Sanjayan, Gangadhar J.} } @article {45520, title = {Constraints-based analysis identifies NAD(+) recycling through metabolic reprogramming in antibiotic resistant Chromobacterium violaceum}, journal = {PLoS One}, volume = {14}, year = {2019}, month = {JAN }, pages = {Article Number: e0210008}, type = {Article}, abstract = {
In the post genomic era, high throughput data augment stoichiometric flux balance models to compute accurate metabolic flux states, growth and energy phenotypes. Investigating altered metabolism in the context of evolved resistant genotypes potentially provide simple strategies to overcome drug resistance and induce susceptibility to existing antibiotics. A genome-scale metabolic model (GSMM) for Chromobacterium violaceum, an opportunistic human pathogen, was reconstructed using legacy data. Experimental constraints were used to represent antibiotic susceptible and resistant populations. Model predictions were validated using growth and respiration data successfully. Differential flux distribution and metabolic reprogramming were identified as a response to antibiotics, chloramphenicol and streptomycin. Streptomycin resistant populations (StrpR) redirected tricarboxylic acid (TCA) cycle flux through the glyoxylate shunt. Chloramphenicol resistant populations (ChlR) resorted to overflow metabolism producing acetate and formate. This switch to fermentative metabolism is potentially through excess reducing equivalents and increased NADH/NAD ratios. Reduced proton gradients and changed Proton Motive Force (PMF) induced by antibiotics were also predicted and verified experimentally using flow cytometry based membrane potential measurements. Pareto analysis of NADH and ATP maintenance showed the decoupling of electron transfer and ATP synthesis in StrpR. Redox homeostasis and NAD(+) cycling through rewiring metabolic flux was implicated in re-sensitizing antibiotic resistant C. violaceum. These approaches can be used to probe metabolic vulnerabilities of resistant pathogens. On the verge of a post-antibiotic era, we foresee a critical need for systems level understanding of pathogens and host interaction to extend shelf life of antibiotics and strategize novel therapies.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0210008}, author = {Banerjee, Deepanwita and Raghunathan, Anu} } @article {46321, title = {Continuous flow solvent free organic synthesis involving solids (reactants/products) using a screw reactor}, journal = {Green Chemistry}, volume = {21}, year = {2019}, month = {OCT }, pages = {5639-5646}, type = {Article}, abstract = {
Here we report for the first-time various organic transformations such as aldol condensation, oxidation, nucleophilic substitutions, protection, acylations and coupling reactions using a mechanochemical approach at a controlled temperature using a single synthesis platform. Almost minimal solvents or solvent-free conditions are used, making it a very efficient and clean synthesis of various products. A jacketed screw reactor when operated at different temperatures (0 degrees C to 160 degrees C) and over a range of rotation speeds for changing the residence time (15 s-300 s) helped to achieve maximum conversion. This approach is also extended to the synthesis using substrates having different substitutions, heterocycles and steric hindrance.
}, issn = {1463-9262}, doi = {10.1039/c9gc02447f}, author = {Sharma, Brijesh M. and Atapalkar, Ranjit S. and Kulkarni, Amol A.} } @article {46156, title = {Conversion of curved assemblies into two dimensional sheets}, journal = {Nanoscale}, volume = {11}, year = {2019}, month = {MAR}, pages = {5732-5736}, type = {Article}, abstract = {
The design and preparation of organic two dimensional (O2D) sheets and their conversion to curved nanostructures is in its infancy. To convert a flat structure into a curved structure, the molecule must have multiple interaction possibilities and an in-built twist. The conjugated small molecule iso-Indigo (i-Indigo) comprises two phenyl rings that are twisted (the dihedral angle is 15 degrees) at the junction. The i-Indigo has been connected with moieties that impart hydrogen bonding and van der Waals interactions. Due to the presence of the cloud in i-Indigo, - interactions are also present in the molecule. While all three interactions are in operation, rings and toroids are formed. Upon addition of hydrogen bonding competing solvents, the rings and toroids unravel to form O2D sheets. Control molecules that don{\textquoteright}t have hydrogen bonding moieties and - interactions form random assemblies. Please note that the rings, toroids and O2D sheets are formed in a single solvent by simple dissolution, unlike previous approaches that involve multiple steps and solvents.
}, issn = {2040-3364}, doi = {10.1039/c8nr09915d}, author = {Deshmukh, Gunvant and Krishnamoorthy, Kothandam} } @article {46208, title = {A copper(ii)-coordination polymer based on a sulfonic-carboxylic ligand exhibits high water-facilitated proton conductivity}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {AUG}, pages = {11034-11044}, type = {Article}, abstract = {
Proton conduction ability has been investigated in a new Cu(ii) based coordination polymer (CP), {[Cu-2(sba)(2)(bpg)(2)(H2O)(3)]center dot 5H(2)O}(n) (1), synthesized using the combination of 4-sulfobenzoic acid (4-Hsba) and bipyridine-glycoluril (BPG) ligands. Single crystal X-ray structure determination revealed that 1 features 1D porous channels encapsulating a continuous array of water molecules. Proton conductivity measurements reveal a high conductivity value of 0.94 x 10(-2) S cm(-1) at 80 degrees C and 95\% RH. The activation energy (E-a) of 0.64 eV demonstrates that the solvate water, coordinated water and hydrophilic groups in the channels promote the mobility of protons in the framework. Water sorption measurements exhibited hysterical behaviour with a high uptake value of 379.07 cm(3) g(-1). Time-dependent measurements revealed that the proton conductivity is retained even after 12 h of measurements. The proton conduction mechanism was validated by ab initio electronic structure calculations using the Nudged Elastic Band (NEB) method with molecular dynamics (MD) simulation studies. The theoretical activation energy is calculated to be 0.54 eV which is in accordance with the experimental value.
}, doi = {10.1039/c9dt01983a}, author = {Tayade, Sakharam B. and Illathvalappil, Rajith and Lapalikar, Vaidehi and Markad, Datta and Kurungot, Sreekumar and Pujari, Bhatchandra and Kumbhar, Avinash S.} } @article {46445, title = {Core-composite mediated separation of diverse nanoparticles to purity}, journal = {Soft Matter}, volume = {15}, year = {2019}, month = {OCT}, pages = {7787-7794}, type = {Article}, abstract = {
A generalized method for sorting nanoparticles based on their cores does not exist; it is an immediate necessity, and an approach incorporating cost-effectiveness and biocompatibility is in demand. Therefore, an efficient method for the separation of various mixed core-compositions or dissimilar metallic nanoparticles to their pure forms at the nano-bio interface was developed. Various simple core-combinations of monodispersed nanoparticles with dual cores, including silver plus gold, iron oxide plus gold and platinum plus gold, to the complex three-set core-combinations of platinum plus gold plus silver and platinum plus iron plus gold were sorted using step-gradient centrifugation in a sucrose suspension. Viscosity mediated differential terminal velocities of the nanoparticles permitted diversified dragging at different gradients allowing separation. Stability, purity and properties of the nanoparticles during separation were evaluated based on visual confirmation and by employing advanced instrumentations. Moreover, theoretical studies validated our experimental observations, revealing the roles of various parameters, such as the viscosity of sucrose, the density of the particles and the velocity and duration of centrifugation, involved during the separation process. This remarkably rapid, cost-efficient and sustainable strategy can be adapted to separate other cores of nanoparticles for various biomedical research purposes, primarily to understand nanoparticle induced toxicity and particle fate and transformations in natural biotic environments.
}, issn = {1744-683X}, doi = {10.1039/c9sm01571j}, author = {Bhatt, Chandra S. and Nagaraj, Bharathkumar and Ghosh, Deepanjan and Ramasamy, Sureshkumar and Thapa, Ranjit and Marpu, Sreekar B. and Suresh, Anil K.} } @article {46061, title = {Core-size dispersity dominates the self-assembly of polymer grafted nanoparticles in solution}, journal = {Macromolecules}, volume = {52}, year = {2019}, month = {JUL }, pages = {4888-4894}, type = {Article}, abstract = {
In polymer-grafted nanoparticles (PGN), covalent tethering of apolar polymer chains to a polar inorganic nanoparticle core induces the formation of self-assembled aggregates. Since the nature of these aggregates determines bulk mechanical and transport properties, it is of importance to understand the factors that determine the underlying assembly processes. In the literature, the solution assembly of PGNs has been understood in analogy to small-molecule amphiphiles. However, in any experimental realization, PGNs are invariably characterized by additional structural complexity, such as the distributions in the inorganic core size and in the grafted chains (both in their length and grafting density). These strongly influence the assembly of amphiphilic PGNs. We have previously demonstrated that dispersity in core size qualitatively affects the structure of PGN aggregates, and Jayaraman et al. demonstrated the effect of grafted chain-length dispersity. The combined effects of dispersity in the size of the core and grafted chains have not been explored previously. Here, we develop a model that builds on the work of Daoud and Cotton to explore a wide parameter space of PGN with dispersity simultaneously in core size and grafted chain length. We demonstrate that dispersity in core size is the dominant factor affecting the self-assembled solution structure of PGN aggregates. Our work suggests the importance of focusing on synthetic strategies for control of core-size dispersity to control aggregate structure in PGN.
}, issn = {0024-9297}, doi = {10.1021/acs.macromol.9b00704}, author = {Bachhar, Nirmalya and Kurnaraswamy, Guruswamy and Kumar, Sanat K.} } @article {46219, title = { Covalent organic frameworks: chemistry beyond the structure }, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {FEB}, pages = {1807-1822}, type = {Article}, abstract = {
Covalent organic frameworks (COFs) represent a new field of rapidly growing chemical research that takes direct inspiration from diverse covalent bonds existing between atoms. The success of linking atoms in two and three dimensions to construct extended framework structures moved the chemistry of COFs beyond the structures to methodologies, highlighting the possibility of prospective applications. Although structure to property relation in COFs has led to fascinating properties, chemical stability, processability and scalability were some of the important challenges that needed to be overcome for their successful implementation. In this Perspective, we take a closer look at the growth of COFs from mere supramolecular structures to potential industrializable materials.
}, doi = { 10.1021/jacs.8b10334}, author = {Kandambeth, Sharath and Dey, Kaushik and Banerjee, Rahul} } @article {46413, title = {Covalent self-assembly in two dimensions: connecting covalent organic framework nanospheres into crystalline and porous thin films}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {DEC }, pages = {20379}, type = {Article}, chapter = {20371}, abstract = {
Insolubility of covalent organic frameworks (COFs) in organic solvents is one of the major obstacles for the potential application of these extended networks such as drug delivery, sensing, optoelectronics, and semiconductor device fabrication. The present work proposes a unique way to make uniform, solution-processable, crystalline, and porous COF nanospheres directly from the homogeneous solution of amine and aldehyde via spatial and temporal control of the nucleation and growth. This strategy of direct nucleation simultaneously showcases the caliber to tune the size of the COF nanospheres from 25 to 570 nm. We have also demonstrated the concept of mesoscale covalent self-assembly of those solution-processable COF nanospheres in the liquid-liquid interface (DCM-water bilayer) for the very first time, transmuting them into self-standing COF thin films with long-range ordered arrangements in two dimensions. The crystalline and porous (with TpAzo showing highest S-BET of 1932 m(2) g(-1)) free-standing COF thin films could be fabricated in a wide range of thicknesses from as low as 21 nm to as high as 630 nm. Both beta-ketoenamine (TpAzo, TpDPP) and imine (TpOMeAzo, TpOMeDPP) linked COF thin films have been synthesized via mesoscale covalent self-assembly of the solution-processable COF nanospheres illustrating the generality of this eloquent methodology. Further, the solution processability has been tested and utilized to cast COF thin films uniformly in the inner and outer surface of an alumina hollow fiber membrane. The COF thin film-alumina hollow fiber membrane composites have showcased promising selective molecular separation of He and O-2, He and CO2, and He and N-2.
}, issn = {0002-7863}, doi = {10.1021/jacs.9b10788}, author = {Sasmal, Himadri Sekhar and Halder, Arjun and Kunjattu, Shebeeb and Dey, Kaushik and Nadol, Athulya and Ajithkumar, Thalasseril G. and Bedadur, Prachiti Ravindra and Banerjee, Rahul} } @article {44441, title = {cRGD functionalized nanocarriers for targeted delivery of bioactives}, journal = {Journal of Drug Targeting}, volume = {27}, year = {2019}, month = {FEB}, pages = {111-124}, type = {Article}, abstract = {
The integrins αvβ3 play a very imperative role in angiogenesis and are overexpressed in endothelial cells of the tumor. Recent years have witnessed huge exploration in the field of αvβ3 integrin-mediated bioactive targeting for treatment of cancer. In these studies, the cRGD peptide has been employed extensively owing to their binding capacity to the αvβ3 integrin. Principally, RGD-based approaches comprise of antagonist molecules of the RGD sequence, drug-RGD conjugates, and most importantly tethering of the nanocarrier surface with the RGD peptide as targeting ligand. Targeting tumor vasculature or cells via cRGD conjugated nanocarriers have emerged as a promising technique for delivering chemotherapeutic drugs and imaging agents for cancer theranostics. In this review, primary emphasis has been given on the application of cRGD-anchored nanocarriers for targeted delivery of drugs, imaging agents, etc. for tumor therapy.
}, keywords = {alpha(v)beta(3) integrin receptors, cancer, cRGD, nanocarriers, targeting}, issn = {1061-186X}, doi = {10.1080/1061186X.2018.1473409}, author = {Gajbhiye, Kavita Rai and Gajbhiye, Virendra and Siddiqui, Imtiaz A. and Gajbhiye, Jayant M.} } @article {46245, title = {Critical role of processing on the mechanical properties of cross-linked highly loaded nanocomposites }, journal = {Macromolecules}, volume = {52}, year = {2019}, pages = {5955-5962}, type = {Article}, abstract = {
Polymer nanocomposites are frequently not at equilibrium-therefore, the structure and properties critically depend on the protocol followed in their preparation. Here, we demonstrate that the elastic-brittle transition in highly loaded ice-templated polymer nanocomposites is sensitively determined by the conformation of polymer chains during nanocomposite preparation. Macroporous polymer nanocomposites are synthesized using two preparation pathways, both exhibiting minor modifications of the ice-templating method wherein an aqueous dispersion of nanoparticles, polymers, and cross-linkers is frozen. In one method, the matrix polymer is cross-linked in the presence of ice, whereas in the other method, the ice is removed by freeze-drying before the polymer is cross-linked. Although all measurable structural metrics are practically identical for the two composites, they exhibit qualitatively different mechanical properties. Nanocomposites cross-linked in the presence of ice show exceptional resilience, recovering elastically from large compression for very high nanoparticle loadings-in some instances, above 90\% by weight. Here, the critical particle loading for the elastic- brittle transition is dependent on the molecular weight of the polymer. In comparison, samples cross-linked after freeze-drying appear structurally identical but turn brittle at much lower particle loadings (about 60\% by weight), independent of the matrix polymer molecular weight. We rationalize these differences in terms of the conformational state of the polymer during cross- linking. In the former case, polymer chains are in good solvent during nanocomposite preparation, while after lyophilization, they are in a poor solvent. The large spatial extent of well-solvated chains and chain-chain overlap during cross-linking results in the formation of intermolecular cross-links, and we obtain elastic nanocomposites even at high nanoparticle loadings. In contrast, for chains in collapsed conformations in a bad solvent, chain connectivity during cross-linking is achieved only for much lower particle loadings. Our results reiterate that the sensitivity of polymer conformations to different processing methods can result in large differences in properties, even though their consequences on structural characteristics are effectively indistinguishable.
}, doi = {10.1021/acs.macromol.9b00813}, author = {Suresh, Karthika and Chowdhury, Arindam and Kumar, Sanat K. and Kumaraswamy, Guruswamy} } @article {46161, title = {Crystal engineering: an outlook for the future}, journal = {Angewandte Chemie-International Edition}, volume = {58}, year = {2019}, month = {MAR}, pages = {4100-4107}, type = {Article}, abstract = {
Crystal Engineering has traditionally dealt with molecular crystals. It is the understanding of intermolecular interactions in the context of crystal packing and in the utilization of such understanding in the design of new solids with desired physical and chemical properties. We outline here five areas which come under the umbrella of Crystal Engineering and where we feel that a proper planning of research efforts could lead to higher dividends for science together with greater returns for humankind. We touch on themes and domains where science funding and translation efforts could be directed in the current climate of a society that increasingly expects applications and utility products from science and technology. The five topics are: 1)pharmaceutical solids; 2)industrial solid state reactions; 3)mechanical properties with practical applications; 4)MOFs and COFs framework solids; 5)new materials for solar energy harvesting and advanced polymers.
}, keywords = {crystal engineering, metal-organic frameworks, pharmaceutical solids, solar energy, solid-state reactions}, issn = {1433-7851}, doi = {10.1002/anie.201811313}, author = {Nangia, Ashwini K. and Desiraju, Gautam R.} } @article {46344, title = {Crystal engineering for intramolecular pi-pi stacking: effect of sequential substitution of f on molecular geometry in conformationally flexible sulfonamides}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {OCT}, pages = {5665-5678}, type = {Article}, abstract = {
A small library of ten sulfonamide derivatives comprising two aromatic rings was synthesized to investigate the effect of chronological positioning of the F-atom on the intramolecular pi-stacking assembly. The sequential positioning of F atoms was carried out on one of the aromatic rings that is linked to the sulfonamide moiety directly while the other aromatic ring (phenyl or pyridine) is linked by an ethyl spacer with the sulfonamide moiety. The ethyl spacer is provided to achieve the required flexibility so that both aromatic rings can bend to acquire syn conformation facilitated pi-stacking between electron-deficient and electron-rich aromatic rings. The idea was to study the interplay between hydrogen bonding and pi-stacking synthons in the conformationally flexible sulfonamide derivatives. The solid-state conformation of all the derivatives was investigated using the single-crystal X-ray diffraction technique. Crystal structure analysis revealed that the syn conformation was achieved only in trifluoro and pentafluoro sulfonamide derivatives with benzene substitution while in all other derivatives the molecules take either midway or anti conformations. None of the sulfonamide molecules with a pyridine moiety showed syn conformation. It could be because of the involvement of the pyridine N-atom in the hydrogen bonding dimeric synthon. The molecular conformation study in solution state using 2D NOESY and HOESY NMR experiments also substantiated syn conformation in a pentafluoro sulfonamide molecule with benzene substitution. The conformational analysis carried out employing density functional theory (DFT) calculations confirmed higher stability for the syn conformation over midway and anti orientations.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b00667}, author = {Shaikh, Samir R. and Gawade, Rupesh L. and Kumar, Deepak and Kotmale, Amol and Gonnade, Rajesh G. and Stuerzer, Tobias} } @article {46118, title = {Crystalline acylhydrazone photoswitches with multiple mechanical responses}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {MAY}, pages = {3039-3044}, type = {Article}, abstract = {
The advancement of our understanding of stimuli responsive molecular crystals has led to the realization that they hold great yet unexplored potential as adaptive materials. Although molecular crystals that exhibit a single mechanical response to a single input stimulus are now abundant, crystals that are capable of response to multiple stimuli are rather scarce. Here we report two photoswitchable acylhydrazone derivatives, Ac-1 and Ac-2, which respond to light as well as to mechanical force. Upon application of localized mechanical stress, the anhydrous (Ac-1a) and monohydrate (Ac-1h) crystals of Ac-1 undergo plastic shearing deformation and bending, whereas monohydrate crystals of Ac-2 undergo elastic deformation. When they are exposed to UV light, crystals of Ac-1h and Ac-2 undergo photoinduced bending; on the other hand, crystals of Ac-1a and thicker crystals of Ac-2 exhibit photosalient effect (light-induced leaping). It is demonstrated that the synergistic action of multiple stimuli (UV light and force) elicits enhanced mechanical response, and this strategy could be employed in the future to increase the efficacy of single crystal actuators.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b01860}, author = {Gupta, Poonam and Panda, Tamas and Allu, Suryanarayana and Borah, Silpisikha and Baishya, Anamika and Gunnam, Anilkumar and Nangia, Ashwini and Naumov, Pance and Nath, Naba K.} } @article {46273, title = {Crystalline LaCoO3 perovskite as a novel catalyst for glycerol transesterification}, journal = {Molecular Catalysis}, volume = {475}, year = {2019}, month = {OCT}, type = {Article}, abstract = {
LaCoO3 perovskite was synthesized using sol-gel method by nitrate and acetate precursors of La and Co with varying molar ratios of La and Co (1:1, 1:2 and 2:1). This was found to be an unique strategy to obtain highly crystalline LaCoO3 perovskite material without using any chelating agent. The variation of precursors was found to influence their crystallinity however, variation in molar ratio in the range of 0.5-2, did not affect the formation of perovskite framework. The formation of pure perovskite phase (around or \> 80\%) could be achieved by combination of acetate and nitrate precursors while, the combination of acetate- acetate or nitrate- nitrate precursors resulted in low phase purity for the perovskite due to the formation of secondary phases like La2O3 and Co3O4. Very interestingly, such combination of perovskite and pure oxide phases contributed to enhancement of basic sites which catalyzed the glycerol transestrifiaction with DMC (dimethyl carbonate) to GC (glycerol carbonate) and GD (glycidol). Among all the catalysts studied, NAP-2 showed highest efficiency in terms of 98\% glycerol conversion and 77\% GC and 22\% GD selectivities. The highlight of this work is that first step glycerol transesterification with DMC required basic sites of either metal oxide or perovskite but for cascade reaction involving decarboxylation required both metal oxide as well as LaCoO3 perovskite phase.
}, doi = {10.1016/j.mcat.2019.110496}, author = {Phadtare, Deepshree and Kondawar, Sharda and Athawale, Anjali and Rode, Chandrashekhar} } @article {46351, title = {Cubic palladium nanorattles with solid octahedron gold core for catalysis and alkaline membrane fuel cell applications}, journal = {ChemCatChem}, volume = {11}, year = {2019}, month = {SEP }, pages = {4383-4392}, type = {Article}, abstract = {
Herein, we report the synthesis of palladium nanorattles (Au-Pd NRTs) comprising of a gold octahedral core caged within a thin porous cubic palladium shell. The introduction of core-shell and porous architecture was realized by combining seed mediated and galvanic replacement reaction techniques. Next, we examined the catalytic efficiency of the nanocatalyst in comparison with solid palladium nanocube (Pd-NC) of similar size for the degradation of p-nitrophenol and organic dyes. The rate constant of Au-Pd NRTs was found nearly 12 times higher than the Pd-NCs. Further, we exploited our catalyst for electrochemical oxygen reduction reaction (ORR) and observed its high intrinsic ORR activity. Compared with commercialized Pt/C, the Au-Pd NRT displayed nearly comparable onset and half-wave potential values and excellent durability upon potential cycling. The system level validation in a single-cell mode of alkaline exchange membrane fuel cell also confirms the efficiency of the present catalyst to serve as a potential cathode catalyst for realistic device applications.
}, keywords = {alkaline exchange membrane fuel cell, electrocatalysis, nanorattles, ORR, Pd nanoparticle}, issn = {1867-3880}, doi = {10.1002/cctc.201900741}, author = {Singh, Prem and Sonika and Gangadharan, Pranav K. and Khan, Ziyauddin and Kurungot, Sreekumar and Jaiswal, Amit} } @article {46117, title = {Cu/Cu2O nanoparticles supported on a phenol-pyridyl COF as a heterogeneous catalyst for the synthesis of unsymmetrical diynes via glaser-hay coupling}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {MAY }, pages = {15670-15679}, type = {Article}, abstract = {
Covalent organic frameworks (COFs) are a new class of porous crystalline polymers with a modular construct that favors fiinctionalization. COF pores can be used to grow nanoparticles (nPs) with dramatic size reduction, stabilize them as dispersions, and provide excellent nP access. Embedding substrate binding sites in COFs can generate host-guest synergy, leading to enhanced catalytic activity. In this report, Cu/Cu2O nPs (2-3 nm) are grown on a COF, which is built by linking a phenolic trialdehyde and a triamine through Schiff bonds. Their micropores restrict the nP to exceptionally small sizes (similar to 2-3 nm), and the pore walls decorated with strategically positioned hydrogen-bonding phenolic groups anchor the substrates via hydrogen-bonding, whereas the basic pyridyl sites serve as cationic species to stabilize the [CuclusterCl2](2-) type reactive intermediates. This composite catalyst shows high activity for Glaser-Hay heterocoupling reactions, an essential 1,3-diyne yielding reaction with widespread applicability in organic synthesis and material science. Despite their broad successes in homocoupled products, preparation of unsymmetrical 1,3-diynes is challenging due to poor selectivity. Here, our COF-based Cu catalyst shows elevated selectivity toward heterocoupling product(s) (Cu nP loading 0.0992 mol \%; turn over frequency: similar to 4S-50; turn over number: similar to 17S-190). The reversible redox activity at the Cu centers has been demonstrated by carrying out X-ray photoelectron spectroscopy on the frozen reactions, whereas the crucial interactions between the substrates and the binding sites in their optimized configurations have been modeled using density functional theory methods. This report emphasizes the utility of COFs in developing a heterogeneous catalyst for a truly challenging organic heterocoupling reaction.
}, keywords = {Copper nanoparticles, Covalent organic framework, Glaser-Hay heterocoupling, heterogeneous catalysis, unsymmetrical diynes}, issn = {1944-8244}, doi = {10.1021/acsami.9b02860}, author = {Chakraborty, Debanjan and Nandi, Shyamapada and Mullangi, Dinesh and Haldar, Sattwick and Vinod, Chathakudath P. and Vaidhyanathan, Ramanathan} } @article {46428, title = {Cyanuric-chloride-mediated synthesis of 2-Aryl-3-tert-butoxycarbonyl-thiazolidine-4-carboxylic acid anilides: mechanistic, X-ray crystal structures and cytotoxicity studies}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {NOV }, pages = {12534-12546}, type = {Article}, abstract = {
The {\textquoteleft}2R,4R{\textquoteright}-2-aryl thiazolidine-4-carboxylic acid anilides (ATCAAs) were synthesized using cyanuric chloride (CC) as a clean and substoichiometric acid-amine coupling agent under optimized reaction conditions. The diesterphenol intermediate based mechanism is proposed and supported by spectral characterization of the intermediate. The single crystal X-ray structures of acid substrate (2R,4R)-3-(tert-butoxycarbonyl)-2-(2-methoxyphenyl)thiazolidine-4-carbox ylic acid (3 a) and anilides (R)-tert-butyl 4-(2-fluorophenylcarbamoyl)thiazolidine-3-carboxylate (4 b), (2R,4R)-tert-butyl 2-(2,6-dichlorophenyl)-4-(m-tolylcarbamoyl)thiazolidine-3-carboxylate (6 b) confirmed the formation of chiral anilides. The synthesized library of anilides [(R)-tert-butyl 4-Aryl thiazolidine-3-carboxylate and (2R,4R)-tert-butyl 2-Aryl-4-Aryl thiazolidine-3-carboxylate] 4 a-6 f was screened for their in vitro anti cancer, neuronal and neuroprotective studies. The anilides 4 b, 4 g, 5 d, 5 h, 6 c and 6 f (where the aryl=2-fluorophenylcarbamoyl, 4-chlorophenylcarbamoyl, 2-methoxyphenyl, 2,5-dichlorophenylcarbamoyl, 2,6-dichlorophenyl, 4-chlorophenylcarbamoyl respectively)were found to be less cytotoxic towards N2 A, SHSY-5Y neuronal cell lines in their differentiated and undifferentiated forms, and also exhibited dose dependant anti-inflammatory properties for a possible identification towards neurodegenerative and inflammatory disorders.
}, keywords = {Acid-amine coupling, Cyanuric chloride, Cytotoxicity, Mechanistic investigations, Single crystal x-ray structure}, issn = {2365-6549}, doi = {10.1002/slct.201903000}, author = {Jagtap, Rohidas M. and Shaikh, Samir R. and Gonnade, Rajesh G. and Raheem, Shabnam and Rizvi, Masood A. and Pardeshi, Satish K.} } @article {46280, title = {Cyclic tetrapeptides from nature and design: a review of synthetic methodologies, structure, and function}, journal = {Chemical Reviews}, volume = {119}, year = {2019}, month = {SEP}, pages = { 10318-10359}, type = {Article}, abstract = {
Small cyclic peptides possess a wide range of biological properties and unique structures that make them attractive to scientists working in a range of areas from medicinal to materials chemistry. However, cyclic tetrapeptides (CTPs), which are important members of this family, are notoriously difficult to synthesize. Various synthetic methodologies have been developed that enable access to natural product CTPs and their rationally designed synthetic analogues having novel molecular structures. These methodologies include the use of reversible protecting groups such as pseudoprolines that restrict conformational freedom, ring contraction strategies, on-resin cyclization approaches, and optimization of coupling reagents and reaction conditions such as temperature and dilution factors. Several fundamental studies have documented the impacts of amino acid configurations, N-alkylation, and steric bulk on both synthetic success and ensuing conformations. Carefully executed retrosynthetic ring dissection and the unique structural features of the linear precursor sequences that result from the ring dissection are crucial for the success of the cyclization step. Other factors that influence the outcome of the cyclization step include reaction temperature, solvent, reagents used as well as dilution levels. The purpose of this review is to highlight the current state of affairs on naturally occurring and rationally designed cyclic tetrapeptides, including strategies investigated for their syntheses in the literature, the conformations adopted by these molecules, and specific examples of their function. Using selected examples from the literature, an in-depth discussion of the synthetic techniques and reaction parameters applied for the successful syntheses of 12-, 13-, and 14-membered natural product CTPs and their novel analogues are presented, with particular focus on the cyclization step. Selected examples of the three-dimensional structures of cyclic tetrapeptides studied by NMR, and X-ray crystallography are also included.
}, author = {Sarojini, Vijayalekshmi and Cameron, Alan J. and Varnava, Kyriakos G. and Denny, William A. and Sanjayan, Gangadhar} } @article {45609, title = {C-F bond activation by saturated NHC: mesoionic compound formation and its unprecedented adduct with B(C6F5)3}, journal = {Angewandte Chemie - International Edition}, volume = {58}, year = {2019}, month = {FEB}, pages = {2804-2808}, type = {Article}, abstract = {
The reaction of SIPr, [1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] (1), with C6F6 led to the formation of an unprecedented mesoionic compound (2). The formation of 2 is made accessible by deprotonation of the SIPr backbone with simultaneous elimination of HF. The C-F bond para to the imidazolium ring in 2 is only of 1.258(4) {\r A}, which is the one of the shortest structurally authenticated C-F bonds known to date. The liberation of HF during the reaction is unequivocally proved by the addition of one more equivalent of SIPr, which leads to the imidazolium salt with the HF2- anion. To functionalize 2, the latter reacted with B(C6F5)3 to give an unusual donor{\textendash}acceptor compound, where the fluoride atom from the C6F5 moiety coordinates to B(C6F5)3 and the carbanion moiety remains unaffected. Such coordination susceptibility of the fluoride atom of a nonmetallic system to a main-group Lewis acid (Fnon-metal{\textrightarrow}BR3) is quite unprecedented.
}, keywords = {C-F activation, carbanions, N-heterocyclic carbenes, structure elucidation, Ylides}, issn = {1433-7851}, doi = {10.1002/anie.201814616}, author = {Pait, M. and Kundu, G. and Tothadi, S. and Karak, S. and Jain, S. and Vanka, K. and Sen, S. S.} } @article {45582, title = {Data on metabolic profiling of spongy tissue disorder in Mangifera indica cv. Alphonso}, journal = {Data in Brief}, volume = {22}, year = {2019}, month = {FEB}, pages = {145-157}, type = {Article}, abstract = {Data in this article presents aroma volatiles and fatty acids composition of mesocarp specific malady namely spongy tissue disorder in Mangifera indica cv. Alphonso. Quantitative changes in various aroma volatile compound classes as well as saturated and unsaturated fatty acids in spongy tissue vis-{\`a}-vis healthy mesocarp have been analyzed throughout the development of the disorder. Statistical data analysis correlates the dynamic changes in the aroma volatiles composition to that of the modulation in the fatty acids profile.}, doi = {10.1016/j.dib.2018.11.140}, author = {Oak, P. S. and Deshpande, A. B. and Pujari, K. H. and Prabhudesai, S. S. and Giri, A. P. and Gupta, V. S.} } @article {46107, title = {Demystifying a hexuronic acid ligand that recognizes Toxoplasma gondii and blocks its invasion into host cells}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {MAY}, pages = {4535-4542}, type = {Article}, abstract = {
Toxoplasma gondii is a ubiquitous eukaryotic pathogen responsible for toxoplasmosis in humans and animals. This parasite is an obligate intracellular pathogen and actively invades susceptible host cells, a process which is mediated by specific receptor-ligand interactions. Here, we have identified an unnatural 2,4-disulfated D-glucuronic acid (Di-S-GlcA), a hexuronic acid composed of heparin/ heparan sulfate, as a potential carbohydrate ligand that can selectively bind to T. gondii parasites. More importantly, the gelatin conjugated Di-S-GlcA multivalent probe displayed strong inhibition of parasite entry into host cells. These results open perspective for the future use of Di-S-GlcA epitopes in biomedical applications against toxoplasmosis.
}, issn = {1477-0520}, doi = {10.1039/c9ob00744j}, author = {Subramani, Balamurugan and Shantamurthy, Chethan D. and Maru, Parag and Belekar, Meenakshi A. and Mardhekar, Sandhya and Shanmugam, Dhanasekaran and Kikkeri, Raghavendra} } @article {46255, title = {Dendrite growth suppression by Zn2+-integrated nafion ionomer membranes: beyond porous separators toward aqueous Zn/V2O5 batteries with extended cycle life }, journal = {Energy Technology}, volume = {7}, year = {2019}, month = {SEP}, type = {Article}, abstract = {
The dendritic/irregular growth of zinc deposits in the anode surface is often considered as a major intricacy limiting the lifespan of aqueous zinc-ion batteries. The effect of separators on the evolution of the surface morphology of the anode/cathode is never thoroughly studied. Herein, for the first time, the efficacy of the Zn2+-integrated Nafion ionomer membrane is demonstrated as a separator to effectively suppress the growth of irregular zinc deposits in the metallic anode of an aqueous Zn/V2O5 battery. The Zn2+-ions coordinated with the SO3- moieties in Nafion result in a high transference number of the Zn2+ cation, all the while facilitating a high ionic conductivity. The Zn2+-integrated Nafion membrane enables the Zn/V2O5 cell to deliver a high specific capacity of 510 mAh g(-1) at a current of 0.25 A g(-1), which is close to the theoretical capacity of anhydrous V2O5 (589 mAh g(-1)). Moreover, the same cell exhibits an excellent cycling stability of 88\% retention of the initial capacity even after 1800 charge-discharge cycles, superior to that of the Zn/V2O5 cells comprising conventional porous separators.
\
}, doi = {10.1002/ente.201900442}, author = {Ghosh, Meena and Vijayakumar, Vidyanand and Kurungot, Sreekumar} } @article {45806, title = {Density functional theory-based study of the magnetic and optical properties of PbMO3 (M = Cr, Fe) using the modified BeckeJohnson mBJ functional}, journal = {Journal of Physics and Chemistry of Solids}, year = {2019}, month = {MAY}, type = {Article}, chapter = {275-282}, abstract = {
In this study, we employed the density functional theory (DFT) approach using WIEN2k code to study the magnetic and optical behaviors of PbCrO3 and PbFeO3 perovskites in both cubic and tetragonal phases. We determined the stability of the ferromagnetic state in terms of the enthalpy of formation, the half-metallic behavior, and spin polarization. The origin and nature of the ferromagnetic state were attributed to John-Teller distortion and a super-exchange mechanism. Comparisons of the calculated crystal field, John-Teller distortion, and exchange energies indicated the stability of the ferromagnetic nature. Due to strong hybridization, the magnetic moment was reduced at the Cr/Fe sites but generated at the nonmagnetic sites. The optical characteristics were explained by in-depth analyses of the polarization, plasmonic resonance, transparency, and other features in terms of the computed parameters.
}, issn = {00223697}, doi = {10.1016/j.jpcs.2017.12.030}, author = {Mahmood, Q. and Hassan, M. and Bhamu, K.C. and Yaseen, M. and Ramay, S.M. and Mahmood, A.} } @article {46111, title = {Depolymerization of lignin using a solid base catalyst}, journal = {Energy \& Fuels}, volume = {33}, year = {2019}, month = {MAY}, pages = {4369-4377}, type = {Article}, abstract = {
Lignin extraction from lignocellulosic biomass has attracted considerable attention for an alternative production of sustainable fuels and chemicals. We report the lignin isolation from coconut coir using Klason, organosolv, and soda methods and the depolymerization of isolated lignin to value-added chemicals using a solid base catalyst. The yield of isolated lignin by the Klason method was found to be about 4 to 6 times higher than that by other methods. The structure of isolated Klason lignin (CC-KL), organosolv lignin (CC-ORGL), and soda lignin (CC-SL) was studied using attenuated total reflection (ATR), NMR, microanalysis, and so forth. The monomer molecular formula derived from microanalysis suggested that coir lignin is rich in guaiacyl units. ATR and C-13 NMR clearly indicate that CC-ORGL contains more C-C bonds compared to CC-KL and CC-SL. Subsequently, these isolated lignins were depolymerized over a solid base catalyst (NaX) under atmospheric pressure. CC-SL shows a high yield of aromatic products (28\%) compared to CC-ORGL and CC-KL. In order to develop a sustainable future technology, one-pot depolymerization of coconut coir was performed which resulted in a high yield (64\%) of aromatic products.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.9b00621}, author = {Chaudhary, Richa and Dhepe, Paresh L.} } @article {46420, title = {Descriptors to predict dye-sensitized semiconductor based photocatalyst for hydrogen evolution reaction}, journal = {ChemCatChem}, year = {2019}, type = {Article; Early Access}, abstract = {
Discovering efficient photocatalysts for hydrogen production from water splitting is highly desirable. Computational studies can help in rational designing of such catalysts through high throughput screening of materials. However, for that purpose one needs to identify descriptors that not only connects material properties with their functionality but are easy and inexpensive to compute. Using a combination of density functional theory based calculations and experiments we show two descriptors, namely, charge injection efficiency and electron hole separation, that can be used for in silico design of new and efficient dye-sensitized-semiconductor composites as catalysts for hydrogen evolution reaction.
}, keywords = {charge injection, descriptor, dye-sensitized semiconductors, electron-hole separation, H-2 evolution}, issn = {1867-3880}, doi = {10.1002/cctc.201901924}, author = {Sappati, Subrahmanyam and George, Leena and Swamy, Vincent Paul and Devi, R. Nandini and Ghosh, Prasenjit} } @article {46168, title = {Design and synthesis of 2-amino-thiophene-proline-conjugates and their anti-tubercular activity against mycobacterium tuberculosis H37Ra}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {MAR }, pages = {2851-2857}, type = {Article}, abstract = {
The emergence of extensively drug resistant tuberculosis (XDRTB) and multi-drug resistant tuberculosis (MDR-TB) has necessitated the development of new drugs with short chemotherapy treatment regime and cost effectiveness. To overcome these challenges, we are reporting the synthesis of a series of 2-amino-thiophene-proline-conjugates which show potent invino and ex-vivo anti-tubercular (anti-TB) activity against mycobacterium tuberculosis (rntb) H37Ra. The synthesis of these 2-amino-thiophene-proline-conjugates was carried out via solution phase peptide coupling reactions using methyl-2aminothiophene-3-carboxylate 8 as an intermediate obtained by modified gewald reaction. Intermediate 8 was coupled with different amino acids to obtain dipeptides 3, 4, 5, 6a and 7. Priliminary anti-TB assay data encoureaged us to synthesize modified proline derivatives 6b-6k via formation of a benzoxazinone intermediate 16. Most of these conjugates are active against mtb H37Ra in both active (A) and dormant (D) strains. They are also active against drug resistant mtb H37Ra strains. A trifluoroethyl ester analog, 6i was the most potent among the series [MIC 1 mu g/mL] along with 6f and 6g [MIC 2-6 mu g/mL]. Cytotoxicity studies suggested that, these compounds are less cytotoxic to human cell lines HeLa, MCF-7, HUVEC and hence possess high selectivity index (SI). Docking studies revealed that the binding mode of most active compounds 6i, 6g and 6f is in accordance with their bioactivity studies having docking score 8.969, 8.446 and 7.865, respectively. More- over, in sllico ADME properties suggest that all the compounds possess drug like properties.
}, keywords = {2-aminothiophene, Anti-tubercular, docking studies, Inh A gene, selectivity index}, issn = {2365-6549}, doi = {10.1002/slct.201803370}, author = {Baravkar, Sachin B. and Wagh, Mahendra A. and Nawale, Laxman U. and Choudhari, Amit S. and Bhansali, Sujit and Sarkar, Dhiman and Sanjayan, Gangadhar J.} } @article {45483, title = {Design and synthesis of aromatic polyesters bearing pendant clickable maleimide groups}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {57}, year = {2019}, month = {MAR }, pages = {630-640}, type = {Article}, abstract = {
A bisphenol bearing pendant maleimide group, namely, N-maleimidoethyl-3, 3-bis(4-hydroxyphenyl)-1-isobenzopyrrolidone (PPH-MA) was synthesized starting from phenolphthalein. Aromatic (co)polyesters bearing pendant maleimide groups were synthesized from PPH-MA and aromatic diacid chlorides, namely, isophthaloyl chloride (IPC), terephthaloyl chloride (TPC), and 50:50 mol \% mixture of IPC and TPC by low temperature solution polycondensation technique. Copolyesters were also synthesized by polycondensation of different molar proportions of PPH-MA and bisphenol A with IPC. Inherent viscosities and number-average molecular weights of aromatic (co)polyesters were in the range of 0.52-0.97 dL/g and 20,200-32,800 g/mol, respectively indicating formation of medium to reasonably high-molecular-weight polymers. C-13 NMR spectral analysis of copolyesters revealed the formation of random copolymers. The 10\% weight loss temperature of (co)polyesters was found in the range 470-484 degrees C, indicating their good thermal stability. A selected aromatic polyester bearing pendant maleimide groups was chemically modified via thiol-maleimide Michael addition reaction with two representative thiol compounds, namely, 4-chlorothiophenol and 1-adamantanethiol to yield post-modified polymers in a quantitative manner. Additionally, it was demonstrated that polyester containing pendant maleimide groups could be used to form insoluble crosslinked gel in the presence of a multifunctional thiol crosslinker. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 630-640
}, keywords = {crosslinking, maleimide group, modification, polyesters, thiol-maleimide}, issn = {0887-624X}, doi = {10.1002/pola.29303}, author = {Nagane, Samadhan S. and Kuhire, Sachin S. and Jadhav, Uday A. and Dhanmane, Sushilkumar A. and Wadgaonkar, Prakash P.} } @article {46125, title = {Design, synthesis and biological evaluation of (E)-5-styryl-1,2,4-oxadiazoles as anti-tubercular agents}, journal = {Bioorganic Chemistry}, volume = {86}, year = {2019}, month = {MAY}, pages = {507-512}, type = {Article}, abstract = {
Cinnamic acid and its derivatives are known for anti-tubercular activity. The present study reports the synthesis of cinnamic acid derivatives via bioisosteric replacement of terminal carboxylic acid with {\textquoteleft}{\textquoteleft}oxadiazole{\textquoteright}{\textquoteright}. A series of cinnamic acid derivatives (styryl oxadiazoles) were designed and synthesized in good yields by reaction of substituted cinnamic acids (2, 15a-15s) with amidoximes. The synthesized styryl oxadiazoles were evaluated in vitro for anti-tubercular activity against Mycobacterium tuberculosis (Mtb) H37Ra strain. The structure-activity relationship (SAR) study has identified several compounds with mixed anti-tubercular profiles. The compound 32 displayed potent anti-tubercular activity (IC50= 0.045 mu g/mL). Molecular docking studies on mycobacterial enoyl-ACP reductase enzyme corroborated well with the experimental findings providing a platform for structure based hit-to-lead development.
}, keywords = {1, 2, 4-Oxadiazole, Anti-tubercular, Bioisosteres, Cinnamic acid, Molecular docking}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2019.01.054}, author = {Upare, Abhay Atmaram and Gadekar, Pradip K. and Sivaramakrishnan, H. and Naik, Nishigandha and Khedkar, Vijay M. and Sarkar, Dhiman and Choudhari, Amit and Roopan, S. Mohana} } @article {47485, title = {Designed amphiphilic polystyrene as surfactant for oligo(p-phenylenevinylene)-incorporated PS nanobeads and visual detection of bilirubin in human blood serum}, journal = {ACS Applied Polymer Materials}, volume = {1}, year = {2019}, month = {MAY}, pages = {1230-1239}, type = {Article}, abstract = {Amphiphilic polystyrene having pendant glucuronic acid (PS-DGlu) was designed and systematically synthesized to be used as a stabilizing agent in styrene miniemulsion polymerization, while covalently incorporating oligo(p-phenylenevinylene) (OPV)-based fluorophore to prepare PSG-OPV-n. This OPV fluorophore was incorporated with an aim to work as a signal transducer, while glucuronic acid on the surface of PS nanobeads would act as the water solubilizing moiety for PS to enable it to function as surfactant and also serve as an interaction site for free bilirubin to facilitate noncovalent interaction via hydrogen bonding. Efficient energy transfer from OPV to bilirubin was observed, owing to the appreciable spectral overlap between emission of OPV and absorption of bilirubin. Visual color change from blue to bluish green was observed under an UV lamp after the addition of bilirubin into the polymer. Selectivity of the sensor was checked among the pool of other interferences, such as glucose, sucrose, metal ions, cholesterol, and biliverdin. The limit of detection was found to be as low as 20 nM, which is far less than the clinical range for causing jaundice (<25 to >50 mu mol/L). Moreover, the developed sensor showed its effectiveness toward real time monitoring of free bilirubin in human serum.}, keywords = {amphiphilic homopolymer, bilirubin, functionalized polystyrene nanobeads, oligo(p-phenylenevinylene), sensing}, issn = {2637-6105}, doi = {10.1021/acsapm.9b00222}, author = {Makkad, Sarabjot Kaur and Asha, S. K.} } @article {45612, title = {Designing multifunctional MOFs using an inorganic motif [Cu3(μ3-OH)(μ-Pyz)] as SBU and their properties}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {FEB}, pages = {992-1004}, type = {Article}, abstract = {
In a continuation of our interest in pyrazole-based multifunctional metal-organic frameworks (MOFs), we report herein the construction of a series of Cu(II) MOFs using pyrazole and various 5-substituted isophthalic acids. The central theme is to generate MOFs using the crystal engineering strategy of spacer and node; however, for the node we have introduced a well-known inorganic motif, a [Cu-3(mu(3)-OH)(mu-Pyz)(3)] unit. The appearance of the SBU in five MOFs confirms the robustness and reproducibility of the motif with some interesting structures of various dimensionality ranging from 1D helical and 2D herringbone grid to a complex 3D framework. The deployment of bent acids brings chirality via helicity in the system, as further confirmed by solid-state CD spectra. A detailed investigation of the porous MOFs reveals their importance as zeolite analogues for environment remediation. MOF-1-MOF-5 show some interesting photodegradation of harmful organic dyes. MOF-4 and MOF-5 show impressive selective CO2 gas sorption properties. Furthermore, magnetic properties associated with the trinuclear and hexanuclear SBUs of MOF-1 and MOF-3-MOF-5 have also been investigated.
\
}, doi = {10.1021/acs.cgd.8b01540}, author = {Akhtar, S. and Bala, S. and De, A. and Das, K. S. and Adhikary, A. and Jyotsna, S. and Poddar, P. and Mondal, R.} } @article {46234, title = {Detection of toxic metal ions Pb2+ in water using SiO2@Au core-shell nanostructures: A simple technique for water quality monitoring}, journal = {Chemical Physics Letters}, volume = {732}, year = {2019}, month = {OCT}, type = {Article}, abstract = {
The present paper demonstrates a development of simple, sensitive and selective optical probe for detection of Pb2+ ions in water using monodispersed silica-gold core-shell nanostructures (SiO2@Au NSs). Structural and elemental analysis confirms the phase purity of nanostructures. The SPR studies for SiO2 @Au NSs reveals, linear dynamic range for Pb2+ ions detection, in the concentration range of 100 ppb to 2 ppm, with detection limit of 100 ppb, which is 5 times higher than AuNPs. Cross sensitivity study confirm its selectivity towards Pb2+ ions over other metal ions. XPS analysis shows the interaction of Pb2+ ions with core-shell NPs.
}, doi = {10.1016/j.cplett.2019.136635}, author = {Daware, Krishna and Kasture, Manasi and Kalubarme, Ramchandra and Shinde, Rakesh and Patil, Kashinath and Suzuki, Norihiro and Terashima, Chiaki and Gosavi, Suresh and Fujishim, Akira} } @article {46144, title = {Development and evaluation of taxon-specific primers for the selected Caudovirales taxa}, journal = {Virus Research}, volume = {263}, year = {2019}, month = {APR }, pages = {184-188}, type = {Article}, abstract = {
The phage taxonomy is primarily based on the morphology derived from Transmission Electron Microscopic (TEM) studies. TEM based characterization is authentic and accepted by scientific community. However, TEM based identification is expensive and time consuming. After the phage isolation, before analysis TEM, a DNA based rapid method could be introduced. The DNA based method could dramatically reduce the number of samples analyzed by TEM and thereby increase the speed and reduce the cost of identification. In the present work, four environmental phage isolates were identified based on TEM studies and genome size. The identification of these four phages was validated using DNA based method. The taxon-specific DNA markers were identified through multiple sequence alignments. The primers were designed at conserved genes (DNA polymerase or integrase) of 4 different phage taxa viz. family Ackermannviridae, genus Jerseyvirus, genus T4virus, and genus P22virus. These primers were evaluated using both in vitro and in silico approach for the amplification of the target taxons. Majority of the primer sets were found to amplify member species of the targeted taxa in vitro. In In silico analysis, six primer sets intended for identification of family Ackermannviridae showed positive amplification of \>= 86.7\% classified species. Further, the primers targeting the genus Jerseyvirus and T4virus showed the amplification of 53.8\% and \>= 84.6\% species, respectively. The present work is a case study performed to explore the possibility of use of taxon-specific primers for identification and taxonomic studies of newly isolated phages to supplement the TEM.
}, keywords = {Bacteriophage, DNA markers, Pcr, Primers, Taxonomy, TEM}, issn = {0168-1702}, doi = {10.1016/j.virusres.2019.02.005}, author = {Newase, Sandeep K. and Gupta, Alka and Dastager, Syed G. and Kapadnis, Balu P. and Shashidhar, Ravindranath} } @article {46254, title = { Development of a nano-gold immunodiagnostic assay for rapid on-site detection of invasive aspergillosis }, journal = {Journal of Medical Microbiology}, volume = {68}, year = {2019}, month = {SEP}, pages = {1341-1352}, type = {Article}, abstract = {
Introduction. Timely detection of invasive aspergillosis (IA) caused by fungal pathogens, i.e. Aspergillus fumigatus and Aspergillus flavus, in immunocompromised patients is crucial in preventing high mortality.

Aim. To develop a simple immunoassay for the detection of galactomannan (GM), an IA biomarker.

Methodology. GM from A. fumigatus and A. flavus clinical strains was purified and characterized by X-ray diffraction, IR spectroscopy and C-13/H-1 nuclear magnetic resonance (NMR) for polyclonal antibody (pAb) production in rabbits. An enzyme-linked immunosorbent assay (ELISA) was standardized using concanavalin A to capture Aspergillus GM and pAbs to detect it. Gold nanoparticles (AuNPs) were synthesized and conjugated to pAbs for the development of a dot-blot immunoassay. The developed dot-blot was evaluated with 109 clinical serum and bronchoalveolar lavage samples.

Results. Spectroscopy studies characterized the D-galactofuranosyl groups of GM responsible for the immune response and generation of pAbs. The ELISA employing pAbs showed a sensitivity of 1 ng ml(-1) for Aspergillus GM. Furthermore, a sensitive, visual, rapid dot-blot assay developed by the conjugation of pAbs to AuNPs (similar to 24 +/- 5 nm size, -36 +/- 2 mV zeta potential) had a detection limit of 1 pg ml(-1) in serum. The pAbs interacted with Aspergillus spp. but did not cross-react with other fungal pathogen genera such as Penicillium and Candida. Evaluation of the dot-blot with 109 clinical samples showed high sensitivity (80\%) and specificity (93.2 \%), with an overall assay accuracy of 89\%.

Conclusion. The developed nano-gold immunodiagnostic assay has immense potential for practical use in rapid, specific and sensitive on-site diagnosis of IA, even under resource-limited settings.
}, doi = {10.1099/jmm.0.001040}, author = {Raval, Komal M. and Ghormade, Vandana and Rajamohanan, P. R. and Choudhary, Hansraj and Rudramurthy, Shivaprakash M. and Chakrabarti, Arunaloke and Paknikar, Kishore} } @article {46232, title = {Development of low-cost plant probiotic formulations of functional endophytes for sustainable cultivation of Coleus forskohlii}, journal = {Microbiological Research}, year = {2019}, month = {AUG}, type = {Article}, abstract = {
Deployment of plant endophytes at field level is reported to make an impact on agricultural crop productivity; development and deployment of suitable crop specific plant probiotics in a suitable delivery matrix is a value-added task. In our study, we attempted to develop bioformulations of native, fungal endophytes of Coleus forskohlii to improve plant yield using two different carrier-based materials (talc and wheat bran). Initially, fungal endophytes (RF1, SF1, and SF2) were grown on sterilized wheat bran under solid state condition and their growth kinetics and pattern were analyzed by ergosterol content and scanning electron microscope, respectively. 10-day-grown fungal endophytic cultures were used for the development of two types of formulations (wheat bran and talc-based formulations) and tested for their efficacy on host plant, C. forskohlii under field conditions. Interestingly, application of wheat bran-based endophytic formulations significantly (p \< 0.01) enhanced plant height (12-29\%), number of branches (51-63\%), root biomass (26-33\%), photosynthetic pigments (32-101\%), and forskolin content (35-56\%) compared to talc-based formulations under field conditions. Shelf life of endophytes (RF1, SF1, and SF2) in both formulations revealed spore viability in wheat bran-based formulations for 6 months storage period as compared to talc-based formulations. Overall, the present investigation envisages developing plant probiotic bioformulations of functional endophytes of C. forskohlii to enhance root biomass and in planta forskolin content.
}, doi = {10.1016/j.micres.2019.126310}, author = {Mastan, Anthati and Rane, Digeshwar and Dastager, Syed and VivekBabu, C. S.} } @article {46333, title = {Development of pristine and Au-decorated Bi2O3/Bi2WO6 nanocomposites for supercapacitor electrodes}, journal = {RSC Advances }, volume = {9}, year = {2019}, month = {OCT }, pages = {32573-32580}, type = {Article}, abstract = {
Pristine and Au-decorated Bi2O3/Bi2WO6 nanocomposites were synthesized via a facile hydrothermal method. Characterization techniques such as XRD, FESEM, HRTEM and XPS were used to explore the structural, morphological and electronic properties. Furthermore, electrochemical characterizations including cyclic voltammetry (CV), the galvanostatic charge-discharge (GCD) method, and electrochemical impedance spectroscopy (EIS) were performed to investigate the supercapacitance behaviour of the synthesized materials. Interestingly, the Au-decorated Bi2O3/Bi2WO6 nanocomposite showed a higher capacitance of 495.05 F g(-1) (1 M aqueous KOH electrolyte) with improved cycling stability (99.26\%) over 2000 cycles, measured at a current density of 1 A g(-1), when compared to the pristine Bi2O3/Bi2WO6 composite (capacitance of 148.81 F g(-1) and good cycling stability (95.99\%) over 2000 cycles at a current density of 1 A g(-1)). The results clearly reveal that the decoration of the Bi2O3/Bi2WO6 composite with Au nanoparticles enhances its supercapacitance behaviour, which can be attributed to an increase in electrical conductivity, good electrical contact between the electrode and electrolyte, and an increase in effective area. The Au-decorated Bi2O3/Bi2WO6 nanocomposite can be considered as an electrode material for supercapacitor application.
}, doi = {10.1039/c9ra06112f}, author = {Gote, Gorkshnath H. and Pathak, Mansi and More, Mahendra A. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {46315, title = {Devising chemically robust and cationic Ni(II)-MOF with nitrogen-rich micropores for moisture-tolerant CO2 capture: highly regenerative and ultrafast colorimetric sensor for TNP and multiple Oxo-anions in water with theoretical revelation}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {OCT}, pages = {40134-40150}, type = {Article}, abstract = {
Metal-organic frameworks (MOFs) show distinctive superiority for carbon dioxide (CO2) capture and luminescent sensing of toxic pollutants over other materials where combination of both of these properties together with improvement of hydrolytic stability and pore functionality is critical to environmental remediation applications. The Ni(II) framework [Ni-2(mu 2OH)(azdc)(tpim)](NO3)center dot 6DMA center dot 6MeOH (CSMCRI-3) (tpim = 44{\textquoteright}4(2)-(1H-imidazole-245-triyl)tripyridine H(2)azdc = azobenzene-44{\textquoteright}-dicarboxylic acid DMA = dimethylacetamide CSMCRI = Central Salt \& Marine Chemicals Research Institute) encompassing cationic [Ni-2(mu(2)-OH)(CO2)(2)] SBUs is solvothermally synthesized from nitrogen-rich and highly fluorescent organic struts. The noninterpenetrated structure containing free nitrogen atom affixed microporous channels is stable in diverse organic solvents and weakly basic and acidic aqueous solutions. The activated MOF (3a) exhibits strong CO2-framework interaction and extremely selective CO2 adsorption over N-2 (292.5) and CH4 (11.7). Importantly water vapor exposure does not affect the surface area and/or multiple CO2 uptake-release cycles signifying potential of the porous structure for long-term use under humid conditions. Aqueous-phase sensing studies illustrate extremely specific and ultrafast detection of explosive 246-trinitrophenol (TNP) via remarkable fluorescence quenching (K-SV = 1.3 x 10 (5) M-1) with a 0.25 ppm limit of detection (LOD). Furthermore 3a serves as unique luminescent probe for highly discriminative and quick responsive detection of three noxious oxo-anions (Cr2O7 (2-) CrO4 (2-) MnO4-) in water via noteworthy turn-off responses and extreme low LODs (Cr2O7 (2-) 0.9; CrO4 (2-) 0.29; MnO4- 0.25 ppm). It is imperative to stress the outstanding reusability of the MOF toward multicyclic sensing of all four major water contaminants alongside visible colorimetric changes upon individual analyte detection. Mechanistic insights in light of the electron transfer route together with density functional theory calculations portray the influence of pore functionalization in framework-analyte interactions including alternation in energy levels where varying degrees of contribution of energy transfer explicitly authenticates high quenching of the material.
}, keywords = {chemically robust cationic MOF, DFT calculation, fast responsive detection, humid CO2 capture, TNP and oxo-anion sensing}, issn = {1944-8244}, doi = {10.1021/acsami.9b15179}, author = {Goswami, Ranadip and Seal, Nilanjan and Dash, Soumya Ranjan and Tyagi, Anshu and Neogi, Subhadip} } @article {46100, title = {Dexterous route for synthesis of hollow spherical ZnO and ZnO-Ag nanocomposite with superior photocatalytic ability}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {MAY }, pages = {5518-5526}, type = {Article}, abstract = {
Hollow spherical ZnO and hollow ZnO-Ag nanocomposites with variable percentage of loading of Ag content were successfully fabricated through a novel, template free and easily reproducible route. Extensive characterizations were carried out using FTIR, XRD, XPS, BET, TEM and SEM. The hollow morphology of the particle and the composite encouraged a detailed photocatalysis study in comparison to solid commercial ZnO and the corresponding ZnO-Ag composite. The photocatalytic activity of the hollow particle and the composite was assessed monitoring the decolouration of methylene blue dye using UV-Vis absorption spectroscopic technique. An increased surface area for hollow morphology as compared to solid particles established a conspicuous boost in photocatalytic activity.
}, keywords = {excellent photocatalysis, synthesis, template free, ZnO hollow nanoparticles, ZnO-Ag nanocomposite}, issn = {2365-6549}, doi = {10.1002/slct.201900760}, author = {Maity, Jayeta and Bhattacharjee, Gourab and Satpati, Biswarup and Sardar, Debasmita and Ghosalya, Manoj Kumar and Bala, Tanushree} } @article {46322, title = {Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {OCT}, pages = {8853-8857}, type = {Article}, abstract = {
A general strategy for a one-pot stereoselective synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles by reaction of salicylaldehyde, malononitrile and butenolides via a tandem Knoevenagel/Pinner/vinylogous Michael condensation is presented. The beta,gamma-butenolides gave a syn-selective MCR adduct with a dr up to 11.5 : 1. The mechanistic insight into the MCR was obtained by DFT calculations.
}, issn = {1477-0520}, doi = {10.1039/c9ob01345h}, author = {Gupta, Vijay and Sahu, Debashish and Jain, Shailja and Vanka, Kumar and Singh, Ravi P.} } @article {45626, title = {Dicationic liquid mediated synthesis of tetrazoloquinolinyl methoxy phenyl 4-thiazolidinones and their antibacterial and antitubercular evaluation}, journal = {Synthetic Communications}, year = {2019}, month = {JAN}, type = {Article}, abstract = {In a search of new potentially active antitubercular agents here we have synthesized 3-substituted phenyl-2-(4-(tetrazolo[1,5-a]quinolin-4-ylmethoxy)phenyl)thiazolidin-4-ones (8a{\textendash}l) and evaluated their antibacterial, particularly antitubercular activity. These have been conveniently synthesized by performing one{\textendash}pot cyclocondensation of 4-(tetrazolo[1,5-a]quinolin-4-ylmethoxy)benzaldehyde, anilines and mercaptoacetic acid in dicationic ionic liquid, (3-methyl-1-[3-(methyl-1H-imidazolium-1-yl)propyl]-1H-imidazolium dibromide [C3(MIM)2{\textendash}2Br]) and obtained excellent yields of (8a{\textendash}l). 4-Thiazolidinones (8a{\textendash}l) were thoroughly characterized by their spectral analyses. These compounds have been screened for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis (BCG). The compounds 8a, 8c, and 8e exhibited notable in vitro antitubercular activity compare to the reference, Rifampicin. Molecular docking study has also been performed to know the binding mode of these analogs in to the active site of DprE1 enzyme. The synthesized compounds were also evaluated for their in vitro antibacterial activity and amongst them compound 8k has shown moderate activity against both gram-negative and gram-positive bacterial strains.}, doi = {10.1080/00397911.2018.1564928}, author = {Deshmukh, A. R. and Dhumal, S. T. and Nawale, L. U. and Khedkar, V. M. and Sarkar, D. and Mane, R. A.} } @article {46342, title = {Differential dynamics underlying the Gln27Glu population variant of the beta(2)-adrenergic receptor}, journal = {Journal of Membrane Biology}, volume = {252}, year = {2019}, month = {OCT}, pages = {499-507}, type = {Article}, abstract = {
The beta (2)-adrenergic receptor (beta (2)AR) is a membrane-bound G-protein-coupled receptor and an important drug target for asthma. Clinical studies report that the population variant Gln27Glu is associated with a differential response to common asthma drugs, such as albuterol, isoproterenol and terbutaline. Interestingly, the 27th amino acid is positioned on the N-terminal region that is the most flexible and consequently the least studied part of the receptor. In this study, we probe the molecular origin of the differential drug binding by performing structural modeling and simulations of the wild-type (Gln) and variant (Glu) receptors followed by ensemble docking with the ligands, albuterol, isoproterenol and terbutaline. In line with clinical studies, the ligands were observed to interact preferentially with the Glu variant. Our results indicate that the Glu residue at the 27th position perturbs the network of electrostatic interactions that connects the N-terminal region to the binding site in the wild-type receptor. As a result, the Glu variant is observed to bind better to the three ligands tested in this study. Our study provides a structural basis to explain the variable drug response associated with the 27th position polymorphism in the beta (2)AR and is a starting step to identify genotype-specific therapeutics.
}, keywords = {beta(2)-Adrenergic receptor, G-protein-coupled receptor, GPCR, molecular dynamics, Pharmacogenetics, SNP}, issn = {0022-2631}, doi = {10.1007/s00232-019-00093-2}, author = {Bhosale, Sumedha and Nikte, V. Siddhanta and Sengupta, Durba and Joshi, Manali} } @article {46318, title = {Dimedone-based rigid organic scaffold for organizing symmetrical helical peptide chains.}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {OCT }, pages = {11518-11522}, type = {Article}, abstract = {
We describe herein design, synthesis and conformational investigations of polypeptides attached on a rigid dimedone template. Two identical peptide chains are attached on a single carbon containing dimedone as a scaffold. Dimedone assists in controlling the secondary interactions through strong intramolecular helical C-12 and C-15 membered bifurcated hydrogen bonding on both the peptide chains along with propagating the helical architecture of the peptide chains attached. There exists a C-6 hydrogen bonding for the single stranded peptides attached to dimedone. Extensive structural investigations involving single crystal X-ray diffraction, solution-state NMR and CD studies of oligopeptides have been undertaken.
}, keywords = {dimedone, Helical, hydrogen bonding, Peptides, template}, issn = {2365-6549}, doi = {10.1002/slct.201903087}, author = {Madica, Krishnaprasad and Lakshmi, Jerripothula K. and Madhu, Suresh and Nadimpally, Krishna Chaitanya and Gonnade, Rajesh and Jagadeesh, Bharatam and Sanjayan, Gangadhar J.} } @article {46437, title = {Dinitrogen activation on graphene anchored single atom catalysts: local site activity or surface phenomena}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {NOV}, pages = {27492-27500}, type = {Article}, abstract = {
Catalysis on two-dimensional (2D) substrates with metal clusters or centers is generally dealt with as a surface phenomenon under the conjecture that the delocalized electron density is the driving force. When single atom catalysts (SACs) are anchored on such materials with delocalized electron density, for instance graphene, the stimulant for catalysis may be either the d-electrons on the metal or the system altogether. To understand the contributing factors of catalysis on such systems, a case study of dinitrogen (N-2) activation on Mo anchored graphene has been made by employing periodic and finite models of graphene. The periodic model represents a continuum of SACs anchored periodically on graphene, while the finite models are graphene nanoflakes of varying sizes and edge orientations. In addition to the physical aspects, such as size/finiteness of graphene, the influence of varying chemical compositions of the substrate on the activity is also evaluated by doping graphene with different B and N concentrations. This study, while clearly bringing out the connotation of regulating atomic composition of graphene substrate for dinitrogen activation, also surprisingly unveils the relative insignificance of varying the size and edge effects of the substrate. These features are highlighted through an analysis of red shift in the N-N stretching frequency, charge transfer to dinitrogen from the catalytic system, and structural and electronic characteristics of the catalytic system. The total and projected density of states plots reveal hybridization between the metal d orbitals and the p orbitals of carbon and nitrogen in the valence band. On the other hand, the frontier molecular orbital analysis also depicts a strong chemisorption of dinitrogen with the metal-graphene supports on account of direct hybridization between the d orbitals of the supported metal atom and the p orbitals of dinitrogen. The Bader and Lowdin charge distribution on the adsorbed dinitrogen in periodic and finite models shows the preeminence of local site over the surface activity.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.9b06757}, author = {Maibam, Ashakiran and Govindaraja, Thillai and Selvaraj, Kaliaperumal and Krishnamurty, Sailaja} } @article {46190, title = {Direct solar-to-hydrogen generation by quasi-artificial leaf approach: possibly scalable and economical device}, journal = {Journal of Materials Chemistry A}, volume = {7}, year = {2019}, month = {FEB}, pages = {3179-3189}, type = {Article}, abstract = {
Often, a disadvantage in one area of science may become an advantage in another area. In contrast, a successful concept in one area could work for a complementary area of research too. These two philosophies have been successfully used for solar hydrogen generation and they underscore the necessity to connect relevant concepts. We, herein, report a quasi-artificial leaf (QuAL) device in a wireless configuration with a TiO2/Mn-CdS composite and NiCu as a co-catalyst for possibly scalable as well as commercially viable solar hydrogen production under one sun conditions. The device works at no applied potential and generates 10.5 mL h(-1) (16 mL h(-1)) H-2 with Ni5Cu2.5 alloy (Pt) as a co-catalyst, which corresponds to a power conversion efficiency (PCE) of 4.8\% (7.3\%). The significant resemblance of NiCu alloy to Pt in terms of its electrochemical activity and electronic structure makes the device more economical. While the millisecond lifetime of electrons in Mn-CdS is known to help for white light emission, the same factor helps to greatly improve charge utilization for H-2 production in the QuAL device. In contrast, the reabsorption of emitted light is a vexing problem in emission applications; however in the present work, reabsorption is successfully utilized to enhance hydrogen yield. Spectroscopy techniques combined with electrocatalytic studies were employed and the results correlated with solar hydrogen generation, demonstrating this as a new pathway to design better solar-light-harvesting architectures.
}, issn = {2050-7488}, doi = {10.1039/c8ta11307f}, author = {Patra, Kshirodra Kumar and Bharad, Pradnya Arunrao and Jain, Vanshika and Gopinath, Chinnakonda S.} } @article {46104, title = {Direct thermal polymerization approach to N-rich holey carbon nitride nanosheets and their promising photocatalytic H-2 evolution and charge-storage activities}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {MAY }, pages = {9428-9438}, type = {Article}, abstract = {
Energy conversion and energy storage are two crucial challenges in green chemistry that have attracted tremendous attention for the last several decades. In this work, we have addressed both issues by synthesizing nitrogen-rich, few-layer-thick holey graphitic carbon nitride (g-C3N4) nanosheets by a simple, novel, direct thermal polymerization method, which is found to be very good in photocatalytic H-2 evolution reaction (energy-conversion) and charge-storage supercapacitor (energy-storage) applications. This as-synthesized conjugated polymer semiconductor (obtained stoichiometry C3N4.8) with unique structural and morphological advantages exhibits superior photocatalytic water splitting activity to H-2 evolution (2 620 mu mol h(-1) g(-1)) without the help of any cocatalysts under visible light in the presence of 20\% triethanolamine (TEOA). The calculated apparent quantum yield is 8.5\% at 427 nm, and the rate of photocatalytic hydrogen generation remained constant for nine consecutive catalytic cycles (9 h photocatalysis). The present material also shows electrochemical double layer capacitor (EDLC) behavior in alkaline electrolyte, where a symmetric coin cell device consisting of this electrode material without any large area support or conductive filler delivers high specific capacitance (275 F g(-1)), energy density (30 Wh kg(-1)), and power density (6651 W kg(-1)), and the supercapacitor cell can retain \>98\% capacitance efficiency up to 10 000 measured cycles at various current densities.
}, keywords = {g-C3N4, Hydrogen evolution, nanosheets, Photocatalyst, supercapacitor, water splitting}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.9b00626}, author = {Antil, Bindu and Kumar, Lakshya and Reddy, K. P. and Gopinath, C. S. and Deka, Sasanka} } @article {46197, title = {Direct Z-scheme g-C3N4/FeWO4 nanocomposite for enhanced and selective photocatalytic CO2 reduction under visible light}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {FEB }, pages = {6174-6183}, type = {Article}, abstract = {
Photocatalytic reduction of CO2 to renewable solar fuels is considered to be a promising strategy to simultaneously solve both global warming and energy crises. However, development of a superior photocatalytic system with high product selectivity for CO2 reduction under solar light is the prime requisite. Herein, a series of nature-inspired Z-scheme g C3N4/FeWO4 composites are prepared for higher performance and selective CO2 reduction to CO as solar fuel under solar light. The novel direct Z-scheme coupling of the visible light-active FeWO4 nanoparticles with C3N4 nanosheets is seen to exhibit excellent performance for CO production with a rate of 6 mu mol/g/h at an ambient temperature, almost 6 times higher compared to pristine C3N4 and 15 times higher than pristine FeWO4. More importantly, selectivity for CO is 100\% over other carbon products from CO, reduction and more than 90\% over. H-2 products from water splitting. Our results clearly demonstrate that the staggered band structure between FeWO4 and C3N4 reflecting the nature-inspired Z-scheme system not only favors superior spatial separation of the electron hole pair in g-C3N4/FeWO4 but also shows good reusability. The present work provides unprecedented insights for constructing the direct Z-scheme by mimicking the nature for high performance and selective photocatalytic CO2 reduction into solar fuels under solar light.
}, keywords = {C3N4, CO2 reduction, FeWO4, Photocatalysis, solar fuels, Z-scheme}, issn = {1944-8244}, doi = {10.1021/acsami.8b22434}, author = {Bhosale, Reshma and Jain, Srashti and Vinod, Chathakudath Prabhakaran and Kumar, Santosh and Ogale, Satishchandra} } @article {46227, title = {Discovery of a novel oxadiazine derivative of glucocorticoids endowed with DNA binding activities and molecular docking studies}, journal = {Journal of Taibah University for Science}, volume = {13}, year = {2019}, month = {APR}, pages = {536-546}, type = {Article}, abstract = {
A series of new glucocorticoid oxadiazines (4-6) were synthesized by reacting glucocorticoids (1-3) with thiosemicarbazide and its derivatives. The structural assignment of products is confirmed on the basis of IR, H-1 NMR, C-13 NMR, MS and analytical data. The synthesized compounds (4-6) obeyed the Lipinski{\textquoteright}s "Rule of Five" analysis based on a computational prediction of molecular and pharmacokinetic properties. The interaction studies of compounds (4-6) with DNA were carried out by employing single-cell gel electrophoresis (comet assay), UV-vis and fluorescence spectroscopy. Compounds (4-6) were found capable of cellular DNA degradation breakage in isolated normal human lymphocytes. Viscometric and steady-state measurements further correlated with the comet assay studies. Hence, it could be suggested that the glucocorticoid compounds bearing a core oxadiazine scaffold would be a potent biological agent. Molecular docking studies further characterize the interaction of the synthesized compounds with DNA.
}, doi = {10.1080/16583655.2019.1603575}, author = {Sultanat and Ali, Abad and Asif, Mohd and Rizvi, Asim and Farhan, Mohd and Zaman, Shamsuz} } @article {47495, title = {Disruptive innovation at the interfaces of the drug industry}, journal = {Indian Drugs}, volume = {56}, year = {2019}, month = {JAN}, pages = {5-6}, type = {Article}, abstract = {Dr V. Premnath is currently the Head, NCL Innovations {\textendash} the group within National Chemical Laboratory (NCL) charged with the responsibility of championing the cause of technology innovation within NCL. Dr Premnath is also the Director of the Venture Center {\textendash} a technology business incubator on the NCL campus. Dr Premnath is also a Scientist, Polymer Science \& Engineering Division at NCL with an interest in technology development for medical products. Dr. V. Premnath holds a B.Tech. from the Indian Institute of Technology - Bombay and a Ph.D. from the Massachusetts Institute of Technology, USA. He has also been a Chevening Technology Enterprise Fellow with the Centre for Scientific Enterprises, London Business School and Cambridge University, UK. Dr Premnath{\textquoteright}s experience with medical products development is focused on polymeric implants and has resulted in two families of commercial products and two startups.}, author = {Premnath, V.} } @inbook {47468, title = {Distribution and bioprospecting potential of actinobacteria from Indian mangrove ecosystems}, booktitle = {Microbial Diversity in Ecosystem Sustainability and Biotechnological Applications}, year = {2019}, pages = {319-353}, publisher = {Springer, Singapore}, organization = {Springer, Singapore}, abstract = {Actinobacteria are the ecologically and economically important prokaryotes with the unprecedented ability to produce novel metabolites. They are widely distributed in nature due to their physiological and metabolic versatility. Actinobacteria from marine ecosystem are recognized as a promising source for novel bioactive metabolites. Notably, mangroves are the most fertile and productive marine ecosystem due to their ecophysiological conditions and vast microbial diversity. At the global level, there are many novel actinobacteria which have been reported from mangrove ecosystems and also explored for their bioprospecting potential. However, in India, microbiologists have explored actinobacteria from selected mangrove ecosystems for the past five decades with special reference to culturable diversity and antimicrobial, antimycobacterial, anticancer, and enzymatic activities. So far, around 22 rare actinobacterial genera have been reported from the Indian mangrove ecosystems. However, several other novel actinobacteria with promising bioprospecting potential are yet to be explored. Hence, research on actinobacteria in the Indian mangrove ecosystem is still in its infancy. This chapter will describe the exploratory research work carried out on the importance, diversity, antimicrobial and enzymatic activity, biodegradation, and nanotechnological potency of actinobacteria from the Indian mangrove ecosystems. This chapter will enable researchers to identify the gaps to be bridged for further research on Indian mangrove actinobacteria and exploit their potential to the maximum benefit to mankind.}, isbn = {978-981-13-8315-1}, doi = {10.1007/978-981-13-8315-1_11}, author = {Manikkam, Radhakrishnan and Pati, Premalata and Thangavel, Shanmugasundaram and Venugopal, Gopikrishnan and Joseph, Jerrine and Ramasamy, Balagurunathan and Dastager, Syed G.} } @article {46129, title = {Does stoichiometry matter? cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd-even alternation in melting points}, journal = {Crystengcomm}, volume = {21}, year = {2019}, month = {APR }, pages = {2481-2484}, type = {Article}, abstract = {
{This study outlines the synthesis of four cocrystals of aliphatic dicarboxylic acids {pimelic acid to sebacic acid (HOOC-(CH2) nCOOH
}, issn = {1466-8033}, doi = {10.1039/c9ce00299e}, author = {Tothadi, Srinu and Phadkule, Amala} } @article {46221, title = { Downconversion luminescence-based nanosensor for label-free detection of explosives }, journal = {Acs Omega}, volume = {4}, year = {2019}, month = {FEB}, pages = {4259-4268}, type = {Article}, abstract = {
We report a selective and sensitive nanosensor probe based on polyethylenimine (PEI)-capped downconverting nanophosphors beta-NaYF4:Gd3+, Tb3+@PEI for the detection of 2,4,6-trinitrotoluene (TNT), both in water and buffer media. These downconverting phosphors were synthesized via a hydrothermal route and are known to show excellent chemical, thermal, and photostability. They emit sharp emission peaks centered at similar to 488, 544, 584, and 619 nm, among which the peak at similar to 544 nm was remarkably quenched (similar to 90\%) by the addition of TNT without giving any new emission peak. The sensing mechanism is based on the formation of a Meisenheimer complex between the electron-rich amine-functionalized beta-NaYF4:Gd3+, Tb3+ nanophosphors and electron-deficient TNT molecule, which was prominently visualized by the change in the color of the solution from whitish to brownish yellow, enabling visual detection, followed by luminescence resonance energy transfer between the nanophosphors and the complex. A linear range for TNT detection was obtained from 0.1 to 300 mu M with a limit of detection as low as 119.9 nM. This method displayed excellent selectivity toward TNT over other nitroaromatic compounds, which had no influence on the detection. Moreover, various other classes of analytes, viz., amino acids, pesticides, and sugars, did not quench the luminescence intensity of the nanophosphors. This developed nanosensor probe possesses high, stable fluorescence brightness and capability for the selective and sensitive on-site recognition of TNT molecules in aqueous media, avoiding complicated strategies and instruments. Thus, this work promises to pave ways to many applications in the detection of ultratrace analytes.
}, doi = {10.1021/acsomega.8b03491}, author = {Malik, Monika and Padhye, Preeti and Poddar, Pankaj} } @article {47167, title = {Draft genome sequence of freshwater-derived streptomyces sp. strain BPSDS2, isolated from damte stream, northeast India}, journal = {American Society for Microbiology}, year = {2019}, month = {OCT}, type = {Article}, abstract = {
We report the draft genome sequence of Streptomyces sp. strain BPSDS2, isolated from freshwater sediments in Northeast India. The draft genome has a size of 8.27 Mb and 7,559 protein-coding sequences.
}, doi = {10.1128/MRA.00874-19}, author = {Zothanpuia and Passari, Ajit Kumar and Deka, Vinay and Rajput, Lakshmi P. M. and Priya, Purbajyoti and Dharne, Mahesh and Dastager, Syed and Mathew, Oommen K. and Hashem, Abeer and Abd_ Allah, Elsayed Fathi and Singh, Bhim Pratap} } @article {46274, title = {Dry molten globule-like intermediate during the base-induced unfolding of a multidomain protein (vol 19, pg 20307, 2017)}, journal = {Physical Chemistry Chemical Physics}, volume = {21}, year = {2019}, month = {SEP}, pages = {20499-20499}, type = {Correction}, doi = {10.1039/c9cp90219h}, author = {Acharya, Nirbhik and Mishra, Prajna and Jha, Santosh Kumar} } @article {46145, title = {Dry reforming of methane in DBD plasma over Ni-based catalysts: influence of process conditions and support on performance and durability}, journal = {Energy Technology}, volume = {7}, year = {2019}, month = {APR}, pages = {1801008}, type = {Article}, abstract = {
The conversion of greenhouse gases, H-2 and CO selectivity, H-2/CO ratio, and carbon formation in the dry reforming reaction over Ni-supported ZSM-5, Al2O3, and TiO2 are tested under thermal, plasma, and plasma-thermal conditions. It is observed that the dielectric nature, specific surface area, and acid-base properties of the support influence the performance during the DRM reaction. Typical results indicate that the best activity and syngas yield are achieved with 15Ni/Al2O3 under plasma conditions, possibly due to the high dielectric constant and surface area of Al2O3 and nanosize of Ni. In the thermal condition, the highest conversion of 73\% and 68\% for CH4 and CO2, respectively, is achieved over 15Ni/ZSM-5 at 500 degrees C. Plasma-assisted thermal conditions provide the highest conversion due to the activation of reactants and their partial conversion in the plasma zone before entering into the catalytic zone. The plasma-assisted thermocatalytic conversions of CH4 and CO2 reach the best values of 76\% and 71\%, respectively, on 15Ni/ZSM-5. Under the same conditions, 68\% and 65\% conversion of CH4 and CO2, respectively, is achieved with 15Ni/Al2O3 where the selectivity for H-2 and CO is 45\% and 58\%, respectively.
}, keywords = {DBD plasma, Dry reforming, reaction conditions, supported catalysts, Syngas}, issn = {2194-4288}, doi = {10.1002/ente.201801008}, author = {Ray, Debjyoti and Nepak, Devadutta and Janampelli, Sagar and Goshal, Partha and Subrahmanyam, Ch} } @article {45493, title = {Effect and position of spiro-bipropylenedioxythiophene pi-spacer in donor-pi-spacer-acceptor dyes for dye-sensitized solar cell}, journal = {Dyes and Pigments}, volume = {161}, year = {2019}, month = {FEB}, pages = {313-323}, type = {Article}, abstract = {
Improper orientation and self-assembly of dyes on TiO2 surface are the main disadvantages at the dye-TiO2 interface that governs both charge injection and dye regeneration processes. In this report, a series of homo spiro-dimeric donor-pi-spacer-acceptor (D-pi-A) dyes based on bithiophene and terthiophene spacers with two-anchoring group containing dyes, TT1, T1T, TT1T were designed and synthesized by Pd-catalyzed successive Suzuki coupling followed by direct arylation reactions. The position of branching centre in TT1 and T1T was systematically varied, where the spiro unit was placed near and away from the anchoring carboxylic acid unit, respectively. The dimeric spiro-dye T1T showed device performance, which is 1.6 fold higher than its structural isomeric analogue TT1, of 3.9\% with a V-oc and J(sc) of 0.593 V and 9.09 mA/cm2, respectively, whereas for the isomeric analogue TT1 a device performance of 2.45\% (V-oc of 0.568 V and J(sc) of 6.25 mA/cm2) under simulated 1 Sun (100 mW/cm2) condition. The improved Voc for the dye T1T compared to TT1 dye was ascribed to the dipole moment exerted by the dyes on TiO2 surface. Further the PCE of 4.16\% (V-oc 0.589 V, J(sc) 9.79 mA/cm2 respectively) maximum was observed, when an extra thiophene unit was inserted in between the donor and pi-spacer in dye TT1T. The shifting the position of branching spiroBiProDOT pi-spacer makes an impact on the device performance by synergistically enhancing both Voc and Jsc.
}, keywords = {CDCA, D-pi-A Spiro dye, Dye aggregation, dye-sensitized solar cell, spiroBiProDOT spacer}, issn = {0143-7208}, doi = {10.1016/j.dyepig.2018.09.056}, author = {Sil, Manik Chandra and Kavungathodi, Munavvar Fairoos Mele and Nithyanandhan, Jayaraj} } @article {46014, title = {Effect of copper contamination on zooplankton epidemics}, journal = {Journal of Theoretical Biology}, volume = {469}, year = {2019}, month = {MAY}, pages = {61-74}, type = {Article}, abstract = {
Infectious disease and chemical contamination are increasingly becoming vital issues in many ecosystems. However, studies integrating the two are surprisingly rare. Contamination not only affects the inherent host-resource interaction which influences the epidemic process but may also directly affect epidemiological traits via changes in host{\textquoteright}s behaviour. The fact that heavy metal such as copper is also an essential trace element for organisms, further increase complexity which make predicting the resultant effect of contamination and disease spread difficult. Motivated by this, we model the effect of copper enrichment on a phytoplankton-zooplankton-fungus system. We show that extremely deficient or toxic copper may have a destabilizing effect on the underlying host-resource dynamics due to increased relative energy fluxes as a result of low host mortality due to fish predation. Further, on incorporating disease into the system, we find that the system can become disease-free for an intermediate range of copper concentration whereas it may persist for very less copper enrichment. Also, we predict that there may exist vulnerable regions of copper concentration near the toxic and deficient levels, where the parasite can invade the system for a comparatively lower spore yield. Overall, our results demonstrate that, the effect of contamination may be fundamental to understanding disease progression in community ecology. (C) 2019 Elsevier Ltd. All rights reserved.
}, keywords = {Bistability, Chemical contamination, Daphnia-parasite, Hormesis, Host-resource}, issn = {0022-5193}, doi = {10.1016/j.jtbi.2019.02.016}, author = {Banerjee, Swarnendu and Sarkar, Ram Rup and Chattopadhyay, Joydev} } @article {45581, title = {Effect of co-substitution of Co2+ and V5+ for Fe3+ on the magnetic properties of CoFe2O4}, journal = {Physica B: Condensed Matter}, volume = {554}, year = {2019}, month = {FEB}, pages = {107-113}, type = {Article}, abstract = {Different chemical compositions in Co1+2xVxFe2-3xO4 (0 <= x <= 0.1) have been synthesized by the conventional solid-state reaction method and processed under identical conditions. The materials are investigated to assess the impact of change in the oxidation states of metal ions on structural and magnetic properties of cobalt ferrite. Rietveld refinement of the X-ray diffraction patterns revealed a single phase nature of all compositions with cubic spinel structure. The cubic lattice parameter was found to decrease non-linearly from 8.393 {\r A} for x = 0 to 8.377 {\r A} for x = 0.1, due to the effect of ionic size and valency of the substituted metal ions. Sintered co-substituted compositions exhibited smaller grains against unsubstituted counterpart, due to low melting point of raw material V2O5. Strong experimental evidence of V substitution for Fe at the tetrahedral sites of the spinel ferrite has been extracted from the Raman spectral analysis. Saturation magnetization (Ms) was observed to decrease from 452 kA/m for x = 0{\textendash}411 kA/m for x = 0.1. Coercivity (Hc) and magnetocrystalline anisotropy (K1) were also found to follow the same trend. Variation of the structural and magnetic parameters is attributed to the changes in the oxidation state of Co from 2 + to 3 + as it is confirmed from the results of XPS analysis.}, doi = {10.1016/j.physb.2018.11.031}, author = {Anantharamaiah, P. N. and Joy, P. A.} } @article {46013, title = {Effect of electrostatic interactions on structure and mechanical properties of ice templated colloid-polymer composites}, journal = {Journal of Physics D-Applied Physics}, volume = {52}, year = {2019}, month = {MAY }, pages = {214002}, type = {Article}, abstract = {
When an aqueous dispersion of negatively charged colloids, cationic polymer and crosslinker is frozen and the polymer is allowed to crosslink in the frozen state, we obtain a self-standing macroporous composite foam. This material is soft, despite the high concentration of colloids and yet is remarkably elastic to large compressive strains. In these macroporous composites, the pore walls comprise colloidal particles held within a crosslinked polymer network. Here, we investigate the effect of varying colloid- polymer interactions in pre-fabricated macroporous composites on their microstructure and mechanical properties. During preparation of the composite, cationic polymer adsorbs on the negatively charged colloids. We tune the surface charge of particles embedded in a macroscopic monolith by immersing the composites in water maintained at different pH. In this way, we tune polymer-particle interactions in the composite. We observe a sudden increase in interparticle distance and swelling of composite when pH is decreased below the particle{\textquoteright}s isoelectric point. Correspondingly, we observe reduction in Young{\textquoteright}s and shear moduli, compression strength and macroscopic energy dissipation. We did not observe any pH dependent changes in pure polymer sponges (prepared by ice templating and crosslinking a polymer solution that does not contain colloidal particles). Therefore, the pH dependent structural and mechanical property changes arise from the composite structure rather than purely from the crosslinked polymer. We believe that the reduction in mechanical stiffness when the polymer-particle interaction becomes repulsive is because of the reduction in interfacial contacts between particle and polymer. Therefore, the mechanical stiffness of ice templated composite is strongly influenced by interactions between the polymer and particle surface.
}, keywords = {colloid, electrostatic interaction, ice templating, mechanical properties, Polymer}, issn = {0022-3727}, doi = {10.1088/1361-6463/ab0b7b}, author = {Suresh, Karthika and Kumaraswamy, Guruswamy} } @article {46210, title = {Effect of media components and growth conditions for improved linoleic acid production by beauveria species}, journal = {Journal of the American Oil Chemists Society}, volume = {96}, year = {2019}, month = {AUG}, pages = {945-954}, type = {Article}, abstract = {
Beauveria species are well-known insect pathogenic fungi, and Beauveria bassiana is used as a biopesticide against various pests in agriculture. However, the Beauveria species has not been reported as producers of microbial oils. In this study, Beauveria spp. MTCC 5184 was used to produce microbial oil with high linoleic acid (LA) content. Ten experiments were performed to evaluate the effects of several media parameters, such as carbon and nitrogen sources, pH, various concentrations of carbon and nitrogen, growth duration, and oleic acid (OLA) supplementation for maximum LA and dry biomass production by the fungus. Several of these parameters had a significant impact on the production of LA, as well as dry biomass. The glucose yeast extract (GYE) medium supplemented with 1.5\% (w/v) peptone yielded maximum LA (0.32 +/- 0.01 g L-1) and biomass (5.51 +/- 0.26 g L-1). However, through the addition of 1.0\% (w/v) OLA, the precursor of LA, LA production was enhanced 12-fold (1.24 +/- 0.03 g L-1), and the biomass production increased by 5-fold (11.05 +/- 0.46 g L-1) in comparison to those in the basal (GYE) medium. Using lactose as the sole carbon source produced the lowest LA (0.05 +/- 0.00 g L-1) and biomass (1.04 +/- 0.10 g L-1). The results of this study will be useful for the commercial exploitation of this fungus for the production of LA-rich microbial oil for use in the production of lubricants, greases, paints, cosmetics, etc.
}, doi = {10.1002/aocs.12252}, author = {Sanghi, Smrati and Chirmade, Tejas and More, Snehal and Prabhune, Asmita and Gupta, Vidya and Kadoo, Narendra} } @article {45532, title = {Effect of processing conditions on the rheological properties of blends of ultra high molecular weight polyethylene with high-density polyethylene}, journal = {Polymer Engineering and Science}, volume = {59}, year = {2019}, month = {DEC}, pages = {821-829}, type = {Article}, abstract = {
Blends of high-density polyethylene (HDPE) with small amounts of ultra-high molecular weight polyethylene (UHMWPE) were prepared by melt mixing in a twin-screw microcompounder. Two types of UHMWPE differing in their states of chain entanglement were used. The blend composition, time of mixing, and rotation speed of the screws were varied. Rheological properties of the blends were studied in oscillatory shear and uniaxial elongational tests. Reduction in phase angle measured in dynamic shear rheology and increase in extensional strain hardening were found to be useful indicators for quantifying the extent of mixing of the two components. Although the disentangled UHMWPE showed reasonable mixing with HDPE during typical residence times of melt compounding operations, the entangled UHMWPE remained essentially undissolved. The extent of mixing increased with mixing time and screw speed. POLYM. ENG. SCI., 2018. {\textcopyright} 2018 Society of Plastics Engineers
}, issn = {0032-3888}, doi = {10.1002/pen.25016}, author = {Chaudhuri, K. and Poddar, S. and Pol, H. and Lele, A. and Mathur, A. and Srinivasa Rao, G.S. and Jasra, R.} } @article {46447, title = {Effect of substitution on the excited state photophysical and spectral properties of boron difluoride curcumin complex dye and their derivatives: a time dependent-DFT study}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {199}, year = {2019}, month = {OCT}, pages = {111595}, type = {Article}, abstract = {
The optical, charge transport and electronic properties of boron difluoride curcumin (BFC) complex have been explored using the DFT (Density Functional Theory) method and B3LYP functional with the combination of 6-31 + G(d,p) as a basis set. The influence of substitution with various electron releasing and withdrawing groups on the above properties is analyzed and discussed in this work. The results reveal that the BFC complex on additional electron releasing substitution experiences redshifts in the optical transitions, and this is correlated with the dipole moment, NBO charges, HOMO-LUMO energy gap. Further, the absorption (lambda(abs)) and emission (lambda(ems)) spectra of substituted and unsubstituted BFCs are calculated using Time-Dependent Density Functional Theory (TD-DFT). The results show that the electron releasing groups strongly influence the absorption and emission spectra of BFC. Electron releasing groups in BFC derivatives generate the wavelength shift (Bathochromic), but the electron-withdrawing groups in BFC don{\textquoteright}t affect the lambda(abs) and lambda(ems) when compare to its original (parent) compound. The output of the research work strongly recommends that the amino, phenyl and N, N{\textquoteright}-dimethylamino derivatives are potential candidates to act as fluorescent materials due to enhance the emission behavior of BFC and also can be used as an electron/charge transport material for organic light-emitting diodes (OLEDs).
}, keywords = {Absorption, Boron difluoride curcumin, Emission, Molecular orbitals, Time-dependent density functional theory}, issn = {1011-1344}, doi = {10.1016/j.jphotobiol.2019.111595}, author = {Selvam, Karthick and Gandhi, Sivaraman and Krishnarnurty, Sailaja and Gopalakrishnan, Gopu} } @article {46126, title = {Effective polysulfide trapping polar interlayer for high rate Li-S batteries}, journal = {Journal of Materials Chemistry A}, volume = {7}, year = {2019}, month = {APR }, pages = {10067-10076}, type = {Article}, abstract = {
A microporous and polymeric C3N4 framework (CNF), when exploited as an interlayer and as a cathode host in Li-S batteries, demonstrates significantly improved electrochemical behavior with a special relevance to high rate applications up to 5C. A CNF obtained through a template free synthesis approach and activated with KOH is endowed with a high specific surface area of 1000 m(2) g(-1), a desirable nitrogen content (13\%) to ensure polarity and a microporous architecture, required to increase the accommodation capability of discharge products. The difference in electronegativity between C and N in CNFs combats in a major way the shuttling of lithium polysulfides (LIPSs) and ensures the realization of increased LIPS binding sites due to the presence of pyridinic nitrogen. Furthermore, a CNF driven change in the molecular configuration of adsorbed LIPSs leads to the uniform distribution and sequestration of discharge products. Similarly, micropores and the polymeric nature of CNFs facilitate the effective confinement of LIPSs and ably accommodate the volume changes (through the formation of Li2S upon discharge) respectively, especially when a microporous CNF interlayer is involved in the Li-S assembly. In particular, a CNF with 60 wt\% sulfur loading, otherwise represented as CNFS-60, when exploited as a cathode in combination with the deployment of a CNF interlayer exhibits appreciable capacity values of 500 and 400 mA h g(-1) at 3 and 5C respectively. Furthermore, the combination of the CNF interlayer and cathode demonstrates a steady state discharge capacity of 437 mA h g(-1) at 1C rate up to 300 cycles, without any significant capacity loss. The involvement of chemical interaction of the CNF with lithium polysulfides is demonstrated using density functional theory calculations. Hence, the effective trapping and the subsequent localization of migrating LIPSs arising from the strong chemical interaction of the CNF with soluble LIPSs and the advantages of high concentration of accessible pyridinic nitrogen sites to the LIPS adsorption in improving the electrochemical behavior of the Li-S system could be understood. This new CNF based interlayer provides a promising approach and ample scope for its implementation in futuristic Li-S batteries.
}, issn = {2050-7488}, doi = {10.1039/c9ta00233b}, author = {Karuppiah, Saravanan and Kalimuthu, Balakumar and Nazrulla, Mohammed Azeezulla and Krishnamurty, Sailaja and Nallathamby, Kalaiselvi} } @article {46429, title = {Efficient and convenient route for the synthesis of thiophene-2-carboxamidines as potential inhibitors of nitric oxide synthase (NOS)}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {NOV}, pages = {151254}, type = {Article}, abstract = {
A mild and efficient synthesis of substituted thiophene-2-carboxamidines which are potent inhibitors of nitric oxide synthase (NOS) is reported herein. The key step involves reaction of a BOC-protected imidazolyl thiophene-2-carboxamidine reactive intermediate with various primary amines to form BOC-thio-phene-2-carboxamidines which could be readily deprotected using TFA to furnish free carboxamidines. The method is very mild and tolerates diverse substituents including sensitive peptide and amino acid fragments. This new methodology represents a substantial improvement to the literature method owing to its simplicity and hassle-free purification procedures. (C) 2019 Elsevier Ltd. All rights reserved.
}, keywords = {Amidines, Nitric oxide synthase (NOS), Nitric oxide synthase inhibitors, Thiophene-2-carboxamidines}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.151254}, author = {Rashid, P. P. and Singh, Dharmendra and Sanjayan, Gangadhar J.} } @article {47496, title = {Efficient and cost effective synthesis of acetamides catalyzed by calcium chloride}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {58}, year = {2019}, month = {OCT}, pages = {1125-1130}, type = {Article}, abstract = {CaCl2 has been found to be an efficient and cost effective catalyst for the rapid synthesis of acetamides in high yields. The use of stoichiometric quantities of acetic anhydride under solvent free conditions without any additional chromatographic purifications makes this protocol a safe alternative to the existing methods.}, keywords = {Acetamide, acetylation, Acylation, Amine, CaCl2}, issn = {0376-4699}, author = {Sangole, M. T. and Thorat, S. M. and Shirsath, S. and Deshmukh, S. P. and Muthukrishnan, M. and Mujahid, M.} } @article {46170, title = {Efficient bifunctional reactivity of K-doped CrO(OH) nanosheets: exploiting the combined role of Cr(iii) and surface -OH groups in tandem catalysis}, journal = {Catalysis Science \& Technology}, volume = {9}, year = {2019}, month = {MAR }, pages = {1154-1164}, type = {Article}, abstract = {
This work reports the bifunctional catalytic activity of layered K-doped alpha-CrO(OH). The combined action of the redox active Cr(III) and the surface hydroxyl groups was efficiently used to carry out 2-3 oxidation reactions in tandem followed by condensation/coupling reactions in one pot. Oxidation of benzyl alcohol followed by Knoevenagel condensation or coupling reactions forming C-C and C-N linkages in one pot is demonstrated. The catalyst has been characterized using XRD, IR, TGA, CO2-TPD, cyclic voltammetry, XPS and microscopic techniques to gain insight into the nature of active sites. The role of O- and O2- on the CrO(OH) catalyst in the bifunctional activity was studied using analytical techniques. Recyclability and leaching tests confirmed that K-alpha-CrO(OH) is a stable and environmentally safe catalyst.
}, issn = {2044-4753}, doi = {10.1039/c8cy02345j}, author = {Vernekar, Dnyanesh and Ratha, Satyajit and Rode, Chandrashekhar and Jagadeesan, Dinesh} } @article {46138, title = {Efficient broad-band emission from contorted purely corner-shared one dimensional (1D) organic lead halide perovskite}, journal = {Chemistry of Materials}, volume = {31}, year = {2019}, month = {APR }, pages = {2253-2257}, type = {Article}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.9b00069}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Shaikh, Samir R. and Shinde, Aparna and Lohar, Amruta and Jena, Satyam and Gonnade, Rajesh G. and Kundu, Janardan} } @article {45617, title = {Efficient heterogeneous copper fluorapatite (CuFAP)-catalysed oxidative synthesis of diaryl sulfone under mild ligand- and base-free conditions}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {JAN}, pages = {1632-1636 }, type = {Article}, abstract = {A simple, eco-friendly and efficient method for the synthesis of unsymmetrical diaryl sulfones using heterogeneous copper fluorapatite (CuFAP)-catalysed coupling of aryl sulfonic acid and phenyl boronic acid has been developed with good to excellent yields without use of any ligand, base or co-catalyst. Broad substrate scope and gram scale operations are the important features of this method.}, doi = {10.1039/C8NJ04845B}, author = {Kamble, R. B. and Chavan, S. S. and Suryavanshi, G.} } @conference {46218, title = { Efficient removal of Arsenic (III) by novel micro and nano dialdehyde cellulose-cysteine complex extracted from wood pulp cellulose }, booktitle = {Abstracts of Papers of the American Chemical Society}, year = {2019}, month = {APR}, address = {Orlando, FL}, author = {Chen, Hui and Sharma, Sunil and Sharma, Priyanka and Yeh, Heidi and Hsiao, Benjamin} } @article {46180, title = {Efficient synergetic combination of H-USY and SnO2 for direct conversion of glucose into ethyl levulinate (Biofuel Additive)}, journal = {Energy \& Fuels}, volume = {33}, year = {2019}, month = {MAR}, pages = {2319-2327}, type = {Article}, abstract = {
Ethyl levulinate (EL), a biofuel additive for petroleum and biodiesel can also be used as a 100\% fuel to replace petroleum diesel with the existing diesel engine. The major problem to make the EL process economical is the lack of a proper conversion technology to convert C-6 sugars such as glucose with higher yield of EL as well as process which can tolerate higher glucose concentration to increase productivity. The present study highlighted the catalytic synthesis of EL from glucose over synergetic combination of zeolite H-USY and Lewis acidic catalysts such as Sn-beta, TiO2, ZrO2, and SnO2. Because of the strong Lewis acidic nature and the subsequent enhancement in the isomerization rate from glucosides to fructosides, the synergetic combination of H-USY with SnO2 showed higher EL yield than the combination with other Lewis acidic catalysts. So far, the highest EL yield of 81\% from glucose (50 g/L) at 180 degrees C in 3 h was achieved over the optimal combination of 95\% H-USY and 5\% SnO2 having strong/weak acidity and B/L ratios of 1.30 and 0.75, respectively. The study was further extended for establishing the proposed reaction mechanism without the formation of 5-hydroxymethyl furfural, levulinic acid, and formic acid which makes the overall process clean and green.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.8b04395}, author = {Heda, Jidnyasa and Niphadkar, Prashant and Bokade, Vijay} } @article {46312, title = {Efficient synthesis of optically active neolignans ligraminol D and E}, journal = {Synthesis-Stuttgart}, volume = {51}, year = {2019}, month = {NOV}, pages = {4291-4295}, type = {Article}, abstract = {
Efficient syntheses of optically active neolignans ligraminol D and E were achieved in four simple steps starting from easily available chiral benzyl glycidyl ethers. The products were obtained in good overall yields and high enantioselectivities. The protocol might also be useful in the synthesis of other ligraminols or related neolignans.
}, keywords = {benzyl glycidyl ether, Epoxide, lignan, ligraminol, Mitsunobu}, issn = {0039-7881}, doi = {10.1055/s-0037-1611919}, author = {Ghotekar, Ganesh S. and Mujahid, M. and Muthukrishnan, M.} } @article {46446, title = {Electrocatalysis of oxygen reduction reaction on shape-controlled pt and pd nanoparticles-importance of surface cleanliness and reconstruction}, journal = {Frontiers in Chemistry}, volume = {7}, year = {2019}, month = {OCT}, pages = {648}, type = {Review}, abstract = {
Shape-controlled precious metal nanoparticles have attracted significant research interest in the recent past due to their fundamental and scientific importance. Because of their crystallographic-orientation-dependent properties, these metal nanoparticles have tremendous implications in electrocatalysis. This review aims to discuss the strategies for synthesis of shape-controlled platinum (Pt) and palladium (Pd) nanoparticles and procedures for the surfactant removal, without compromising their surface structural integrity. In particular, the electrocatalysis of oxygen reduction reaction (ORR) on shape-controlled nanoparticles (Pt and Pd) is discussed and the results are analyzed in the context of that reported with single crystal electrodes. Accepted theories on the stability of precious metal nanoparticle surfaces under electrochemical conditions are revisited. Dissolution, reconstruction, and comprehensive views on the factors that contribute to the loss of electrochemically active surface area (ESA) of nanoparticles leading to an inevitable decrease in ORR activity are presented. The contribution of adsorbed electrolyte anions, in-situ generated adsorbates and contaminants toward the ESA reduction are also discussed. Methods for the revival of activity of surfaces contaminated with adsorbed impurities without perturbing the surface structure and its implications to electrocatalysis are reviewed.
}, keywords = {Adsorption, Dissolution, oxygen reduction reaction, Palladium, platinum, reconstruction, shape-control, surface cleaning}, issn = {2296-2646}, doi = {10.3389/fchem.2019.00648}, author = {Devivaraprasad, Ruttala and Nalajala, Naresh and Bera, Bapi and Neergat, Manoj} } @article {46253, title = {Electron crystallography}, journal = {IUCRJ}, volume = {6}, year = {2019}, month = {SEP}, pages = {786-787}, type = {Article}, doi = {10.1107/S2052252519011497}, author = {Blake, Alexander J. and de Boissieu, Marc and Nangia, Ashwini} } @article {46350, title = {Electronic integration and thin film aspects of Au-Pd/rGO/TiO2 for improved solar hydrogen generation}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {SEP}, pages = {32869-32878}, type = {Article}, abstract = {
In the present work, we have synthesized noble bimetallic nanoparticles (Au-Pd NPs) on a carbon-based support and integrated with titania to obtain Au-Pd/C/TiO2 and Au-Pd/rGO/TiO2 nanocomposites using an ecofriendly hydrothermal method. Here, a 1:1 (w/w) Au-Pd bimetallic composition was dispersed on (a) high-surface-area (3000 m(2) g(-1)) activated carbon (Au-Pd/C), prepared from a locally available plant source (in Assam, India), and (b) reduced graphene oxide (rGO) (Au-Pd/rGO); subsequently, they were integrated with TiO2. The shift observed in Raman spectroscopy demonstrates the electronic integration of the bimetal with titania. The photocatalytic activity of the above materials for the hydrogen evolution reaction was studied under 1 sun conditions using methanol as a sacrificial agent in a powder form. The photocatalysts were also employed to prepare a thin film by the drop-casting method. Au-Pd/rGO/TiO2 exhibits 43 times higher hydrogen (H-2) yield in the thin film form (21.50 mmol h(-1) g(-1)) compared to the powder form (0.50 mmol h(-1) g(-1)). On the other hand, Au-Pd/C/TiO2 shows 13 times higher hydrogen (H-2) yield in the thin film form (6.42 mmol h(-1) g(-1)) compared to the powder form (0.48 mmol h(-1) g(-1)). While powder forms of both catalysts show comparable activity, the Au-Pd/rGO/TiO2 thin film shows 3.4 times higher activity than that of Au-Pd/C/TiO2. This can be ascribed to (a) an effective separation of photogenerated electron-hole pairs at the interface of Au-Pd/rGO/TiO2 and (b) the better field effect due to plasmon resonance of the bimetal in the thin film form. The catalytic influence of the carbon-based support is highly pronounced due to synergistic binding interaction of bimetallic nanoparticles. Further, a large amount of hydrogen evolution in the film form with both catalysts (Au-Pd/C/TiO2 and Au-Pd/rGO/TiO2) reiterates that charge utilization should be better compared to that in powder catalysts.
}, keywords = {bimetal, Photocatalysis, surface plasmon resonance, TiO2, water splitting}, issn = {1944-8244}, doi = {10.1021/acsami.9b07070}, author = {Tudu, Bijoy and Nalajala, Naresh and Reddy, Kasala P. and Saikia, Pranjal and Gopinath, Chinnakonda S.} } @article {46122, title = {Electrospun polycaprolactone/hydroxyapatite/ZnO nanofibers as potential biomaterials for bone tissue regeneration}, journal = {Journal of Materials Science-Materials In Medicine}, volume = {30}, year = {2019}, month = {MAY}, pages = {51}, type = {Article}, abstract = {
Fabricating a bioartificial bone graft possessing structural, mechanical and biological properties mimicking the real bone matrix is a major challenge in bone tissue engineering. Moreover, the developed materials are prone to microbial invasion leading to biomaterial centered infections which might limit their clinical translation. In the present study, biomimetic nanofibrous scaffolds of Poly -caprolactone (PCL)/nano-hydroxyapatite (nHA) were electrospun with 1wt\%, 5wt\%, 10wt\%, 15wt\% and 30wt\% of zinc oxide (ZnO) nanoparticles in order to understand the optimal concentration range of (ZnO) nanoparticles balancing both biocompatibility and osteoregeneration. The developed nanofibrous scaffolds were successfully characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray analysis (EDAX), contact angle, fourier transform infrared spectroscopy (FTIR), wide-angle X-Ray diffraction (WAXD), brunaueremmett Teller (BET) surface area and tensile testing. Biocompatibility of the developed scaffolds at in vitro level was evaluated by culturing MG-63 cells and investigating the impact on cell viability, proliferation, protein adsorption, alkaline phosphatase (ALP) activity and biomineralization. The PCL/nHA scaffolds exhibited a 1.2-fold increase in cell viability and proliferation, while incorporation of ZnO nanoparticles to PCL/nHA imparted antimicrobial activity to the scaffolds with a progressive increase in the antimicrobial efficacy with increasing ZnO concentration. The results of cell viability were supported by ALP activity and mineralization assay, wherein, PCL/nHA/ZnO scaffolds showed higher ALP activity and better mineralization capacity as compared to pristine PCL. Although, the PCL/nHA/ZnO scaffolds with 10, 15 and 30wt\% of ZnO particles exhibited superior antimicrobial efficacy against both gram-negative (E. coli) and gram-positive (S. aureus) bacteria, a significant decrease in the cell viability and mechanical properties was observed at higher concentrations of ZnO namely 15 and 30\%. Amongst the various ZnO concentrations studied optimal cell viability, antimicrobial effect and mechanical strength were observed at 10wt.\% ZnO concentration. Thus, the present study revealed that the biomimetic tri-component PCL/nHA/ZnO scaffolds with ZnO concentration range of10\% could be ideal for achieving optimal biocompatibility (cell proliferation, biomineralization, and antimicrobial capacity) and mechanical stability thus making it a promising biomaterial substrate for bone tissue regeneration. [GRAPHICS] .
}, issn = {0957-4530}, doi = {10.1007/s10856-019-6255-5}, author = {Shitole, Ajinkya A. and Raut, Piyush W. and Sharma, Neeti and Giram, Prabhanjan and Khandwekar, Anand P. and Garnaik, Baijayantimala} } @article {46090, title = {Embedding S=1/2 Kagome-like lattice in reduced graphene oxide}, journal = {Journal of Physical Chemistry Letters}, volume = {10}, year = {2019}, month = {JUN }, pages = {2663-2668}, type = {Article}, abstract = {
An elegant platform to explore frustrated magnetism is the kagome spin lattice. In this work, clinoatacamite, a naturally occurring S = 1/2 kagome-like antiferromagnetic insulator, is synthesized in water at ambient pressure for the first time from a cuprous chloride (CuCl) precursor whereby Cu(I) was spontaneously oxidized to Cu(II) in the form of clinoatacamite [Cu-2(OH)(3)Cl] with a simultaneous reduction of graphene oxide (GO) to reduced graphene oxide (rGO) in one pot. A stable nanocomposite of phase-pure clinoatacamite nanocrystals embedded in the rGO matrix was isolated. The clinoatacamite-rGO nanocomposite was determined to be magnetically active with a markedly enhanced coercive field of similar to 2500 Oe at S K as well as electronically active with a conductivity value of similar to 200 S.m(-1) at 300 K. Our results illustrate an avenue of combining exotic magnetic and electronic lattices without impeding their individual characteristics and synergistically generating a new class of magnetic semiconductors.
}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b00839}, author = {Gupta, Kriti and Jha, Plawan Kumar and Dadwal, Arun and Debnath, Anil K. and Jaiswal, Ishan and Rana, Shammi and Joy, Pattayil A. and Ballav, Nirmalya} } @article {46435, title = {Enantioselective formal total synthesis of (-)-quinagolide}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {NOV}, pages = {9089-9093}, type = {Article}, abstract = {
The enantioselective formal total synthesis of (-)-quinagolide has been accomplished in a linear sequence of 8 purification steps from pyridine. The key steps are (a) organocatalyzed Diets-Alder reaction for fixing all three stereocenters on piperidine ring; (b) protecting group enabled deoxygenation of isoquinuclidine skeleton under Birch reduction condition; (c) Lewis acid (TiCl4) catalyzed intramolecular Friedel-Crafts cyclization of dicarboxylic acid; and (d) one-pot diastereoselective ketone reduction-intramolecular cyclization to form oxazolidinone which enables trans-geometry installation. During the course of the synthesis, an interesting reductive cleavage of the C-N bond in the electron-deficient isoquinuclidine skeleton under the Birch reduction conditions has been observed. This is the first synthetic effort to access the core skeleton of (-)-quinagolide.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b03477}, author = {Chavan, Subhash P. and Kadam, Appasaheb L. and Gonnade, Rajesh G.} } @article {45576, title = {Enhanced energy density and stability of self-assembled cauliflower of Pd doped monoclinic WO3 nanostructure supercapacitor}, journal = {Materials Chemistry and Physics}, volume = {225}, year = {2019}, month = {MAR}, pages = {192-199}, type = {Article}, abstract = {Enhanced electrochemical performance of WO3 nanostructures by engineering their morphology, structural and surface defect at nanoscale is feasible. Herein we report the effect of Pd doping on the morphological and electrochemical properties of WO3 at nanoscale prepared by a simple hydrothermal method. The synthesized pristine WO3 (cabbage like morphology) and Pd doped WO3 (cauliflower like morphology) are examined by using XRD, XPS, Raman spectra, BET, FE-SEM, TEM. The morphological investigation shows the effective rebuilding of nanosheets assembled cabbage shaped pristine WO3 into nanobricks assembled cauliflower shaped Pd doped WO3 with improvement in crystallinity, surface area and conductivity. As a result, the enhancement in the electrochemical performance of cauliflower shaped Pd-WO3 is recorded four times higher specific capacitance than pristine WO3. Additionally, the excellent cyclic stability (almost ten times higher than pristine WO3) up to 1100 cycles with nearly 86.95\% capacity retention is observed in Pd-WO3 attributed to Pd content and highly modified structural arrangement.}, doi = {10.1016/j.matchemphys.2018.12.077}, author = {Gupta, S. P. and Patil, V. B. and Tarwal, N. L. and Bhame, S. D. and Gosavi, S. W. and Mulla, I. S. and Late, D. J. and Suryavanshi, S. S. and Walke, P. S.} } @article {46121, title = {Enhanced light harvesting and charge separation over wormhole mesoporous TiO2-X nanocrystallites towards efficient hydrogen generation}, journal = {Sustainable Energy \& Fuels}, volume = {3}, year = {2019}, month = {MAY }, pages = {1191-1200}, type = {Article}, abstract = {
Here meso-TiO2-X materials with combined visible light absorption, high surface area, an anatase-rutile heterojunction, and electrically interconnected nanocrystallites in a wormhole mesoporous framework are achieved. Meso-TiO2-X materials were prepared by solution combustion synthesis (SCS), followed by hydrogenation at higher temperatures. The materials are thoroughly characterised by various physicochemical techniques. A small band gap (2.8 eV), type IV-H-2 mesoporosity with a biphasic heterojunction, and small pore depths (10 nm) in a wormhole mesoporous framework are observed with 35AP. Photocatalytic water splitting for hydrogen production and photocurrent generation were carried out with meso-TiO2-X materials under simulated sunlight. A six-fold increase in activity under AM 1.5G irradiation was observed, which is attributed to the generated mid-gap states which lead to band gap reduction, improved optical absorption in the visible and infrared light region resulting in higher charge carrier density. The presence of a biphasic heterojunction between the (1 0 1) anatase and (1 1 0) rutile facets assists in effective charge separation. A low charge diffusional constraint associated with wormhole mesoporosity helps in facile charge transport to the surface for improved charge utilisation in redox reactions.
}, issn = {2398-4902}, doi = {10.1039/c8se00580j}, author = {Negi, Sanjay Singh} } @article {46213, title = {Enhancing epi-cedrol production in escherichia coli by fusion expression of farnesyl pyrophosphate synthase and epi-cedrol synthase}, journal = {Engineering in Life Science }, year = {2019}, month = {JULY}, type = {Article}, abstract = {
Terpene synthase catalyses acyclic diphosphate farnesyl diphosphate into desired sesquiterpenes. In this study, a fusion enzyme was constructed by linking Santalum album farnesyl pyrophosphate synthase (SaFPPS) individually with terpene synthase and Artemisia annua Epi-cedrol synthase (AaECS). The stop codon at the N-terminus of SaFPPS was removed and replaced by a short peptide (GSGGS) to introduce a linker between the two open reading frames. This fusion clone was expressed in Escherichia coli Rosseta DE3 cells. The fusion enzyme FPPS-ECS produced sesquiterpene 8-epi-cedrol from substrates isopentenyl pyrophosphate and dimethylallyl pyrophosphate through sequential reactions. The K-m values for FPPS-ECS for isopentyl diphosphate was 4.71 mu M. The fusion enzyme carried out the efficient conversion of IPP to epi-cedrol, in comparison to single enzymes SaFPPS and AaECS when combined together in enzyme assay over time. Further, the recombinant E. coli BL21 strain harbouring fusion plasmid successfully produced epi-cedrol in fermentation medium. The strain having fusion plasmid (pET32a-FPPS-ECS) produced 1.084 +/- 0.09 mg/L epi-cedrol, while the strain harbouring mixed plasmid (pRSETB-FPPS and pET28a-ECS) showed 1.002 +/- 0.07 mg/L titre in fermentation medium by overexpression and MEP pathway utilization. Structural analysis was done by I-TASSER server and docking was done by AutoDock Vina software, which suggested that secondary structure of the N- C terminal domain and their relative positions to functional domains of the fusion enzyme was greatly significant to the catalytic properties of the fusion enzymatic complex than individual enzymes.
}, doi = {10.1002/elsc.201900103}, author = {Navale, Govinda R and Sharma, Poojadevi and Said, Madhukar S and Ramkumar, Sudha and Dharne, Mahesh S and Thulasiram, H., V and Shinde, Sandip S} } @article {47154, title = {Enhancing the device efficiency by filling the traps in photoanodes}, journal = {Journal of Materials Chemistry C}, volume = {7}, year = {2019}, month = {DEC }, pages = {14632-14638}, type = {Article}, abstract = {
Traps are ubiquitous in semiconductors and act as recombination sites. These recombination sites have a deleterious effect on the device efficiency. Thus, trap filling is used to increase the efficiency of devices. The traps are filled by dopants that either inject or extract electrons to/from the semiconductor. The trap-filled devices exhibit superior performance as compared to their unfilled counterparts. However, to date, this approach has not been explored in dye-sensitized solar cells despite the well-established presence of traps in them. The traps in the TiO2 photoanode are due to the presence of oxygen vacancies. Therefore, herein, we treated the photo anodes with hydrazine and filled the traps that increased all device metrics. Moreover, further sintering of the trap-filled photoanodes in the presence of hydrazine led to the formation of a nitrogen-doped photoanode. The device comprising a nitrogen-doped photoanode exhibited the efficiency increase of 23\%. The detailed analysis of the device performance led to the conclusion that trap filling suppressed back electron transfer and increased the photo conversion efficiency.
}, issn = {2050-7526}, doi = {10.1039/c9tc04740a}, author = {Sudhakar, Vediappan and Krishnamoorthy, Kothandam} } @article {46147, title = {Epoxidation of karanja (Millettia pinnata) oil methyl esters in the presence of hydrogen peroxide over a simple niobium-containing catalyst}, journal = {Catalysts}, volume = {9}, year = {2019}, month = {APR}, pages = {344}, type = {Article}, abstract = {
The synthesis, characterization and catalytic performance of a conceptually simple, novel NbOx-SiO2 catalyst are here described. The niobium(V)-silica catalyst was prepared starting from cheap and viable reactants, by alkaline deposition of NH4Nb(C2O4)(2)H2O in the presence of fructose as a stabilizer and subsequent calcination. The NbOx-SiO2 solid (0.95 Nb wt.\%) was tested in the liquid-phase epoxidation with aqueous hydrogen peroxide of methyl oleate, as a model substrate. It was then tested in the epoxidation of a mixture of methyl esters (FAMEs) obtained by transesterification with methanol and purification of karanja oil, extracted from the autochthonous Indian variety of Millettia pinnata tree. The catalyst showed a promising performance in terms of methyl oleate conversion (up to 75\%) and selectivity to epoxide (up to 82\%). It was then tested on the FAME mixture from karanja oil, where interesting conversion values were attained (up to 70\%), although with lower selectivities and yields to the mixture of desired epoxidized FAMEs. The solid withstood four catalytic cycles overall, during which a non-negligible surface reorganization of the Nb(V) sites was observed. However, this restructuring did not negatively affect the performance of the catalysts in terms of conversion or selectivity.
}, keywords = {epoxidation, fatty acid methyl esters, heterogeneous catalysis, Hydrogen peroxide, karanja oil, mesoporous silica catalyst, Millettia pinnata, niobium catalysts}, issn = {2073-4344}, doi = {10.3390/catal9040344}, author = {Scotti, Nicola and Ravasio, Nicoletta and Evangelisti, Claudio and Psaro, Rinaldo and Penso, Michele and Niphadkar, Prashant S. and Bokade, Vijay V. and Guidotti, Matteo} } @article {46298, title = {Estrogen receptor activation in response to Azadirachtin A stimulates osteoblast differentiation and bone formation in mice}, journal = {Journal of Cellular Physiology}, volume = {234}, year = {2019}, month = {DEC}, pages = {23719-23735}, type = {Article}, abstract = {
The positive effectsof the sex hormone in sustaining bone homeostasis areexercised by maintaining the equilibrium betweencell activity and apoptosis. In this regard, the importance of estrogen receptors in maintaining the bone is that it is anattractive drug target,if devoid of known side effects. In this study, we show that a natural pure compound Azadirachtin A (Aza A) isolated from Azadirachta indica binds selectively to a site in the estrogen receptor, identifying itself to bea selective tissue modifier. Using computational and medicinal chemistry, we show that Aza A binds potentially and selectively to estrogen receptor-alpha (ER alpha) as compared with ER beta. This preferential binding of Aza A to ER alpha with good pharmacokinetic distribution in the body forms metabolites, showing that it is well absorbed. In in vivo estrogen deficiency models for osteoporosis, Aza A at a much lower dose enhances new bone formation at both sites of the trabecular and cortical bone with increased bone strength and presentswith no hyperplastic effect in the uterus.
}, keywords = {ALP, Gene expression, micro-CT, mineralization, osteoblast cells}, issn = {0021-9541}, doi = {10.1002/jcp.28940}, author = {Kushwaha, Priyanka and Ahmad, Naseer and Dhar, V. Yogeshwar and Verma, Ashwni and Haldar, Saikat and Mulani, Fayaj A. and Trivedi, Prabodh K. and Mishra, Prabhat R. and Thulasiram, V. Hirekodathakallu and Trivedi, Ritu} } @article {46078, title = {Evidence of nitrite acting as a stable and robust inducer of non-cultivability in Mycobacterium tuberculosis with physiological relevance}, journal = {Scientific Reports}, volume = {9}, year = {2019}, month = {JUN }, pages = {9261}, type = {Article}, abstract = {
Tuberculosis (TB) is the ninth leading cause of death worldwide, ranking above human immunodeficiency virus. Latency is the major obstacle in the eradication of this disease. How the physiology of the pathogen changes in transition to the latent stage needs to be understood. The latent bacteria extracted from animal hosts exist in a nonculturable (NC) phase, whereas bacteria extracted from most in vitro models are culture-positive. In the present study, we observed that nitrite, up to a concentration of 5 mM, shows the growth of Mycobacterium tuberculosis (MTB) in liquid media, but this effect starts reversing at higher concentrations. At a concentration of 10 mM, nitrite induces rapid nonculturability of MTB at the aerobic stage. This noncultivable dormancy was confirmed by analyzing the characteristics of NC bacteria. Further differential gene expression analyses clearly supported the formation of a dormancy phenotype. This study will be helpful for the use of this bacillus as a dormancy model in future studies on TB latency.
}, issn = {2045-2322}, doi = {10.1038/s41598-019-45652-8}, author = {Gample, Suwarna P. and Agrawal, Sonia and Sarkar, Dhiman} } @article {46279, title = {"EviMass": A literature evidence-based miner for human microbial associations}, journal = {Frontiers in Genetics}, volume = {10}, year = {2019}, month = {SEP}, type = {Article}, abstract = {
The importance of understanding microbe-microbe as well as microbe-disease associations is one of the key thrust areas in human microbiome research. High-throughput metagenomic and transcriptomic projects have fueled discovery of a number of new microbial associations. Consequently, a plethora of information is being added routinely to biomedical literature, thereby contributing toward enhancing our knowledge on microbial associations. In this communication, we present a tool called "EviMass" (Evidence based mining of human Microbial Associations), which can assist biologists to validate their predicted hypotheses from new microbiome studies. Users can interactively query the processed back-end database for microbe-microbe and disease-microbe associations. The EviMass tool can also be used to upload microbial association networks generated from a human "disease-control" microbiome study and validate the associations from biomedical literature. Additionally, a list of differentially abundant microbes for the corresponding disease can be queried in the tool for reported evidences. The results are presented as graphical plots, tabulated summary, and other evidence statistics. EviMass is a comprehensive platform and is expected to enable microbiome researchers not only in mining microbial associations, but also enriching a new research hypothesis. The tool is available free for academic use at https://web.rniapps.net/evimass.
}, doi = {10.3389/fgene.2019.00849}, author = {Srivastava, Divyanshu and Baksi, Krishanu D. and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {45478, title = {Evolution of ZnO nanostructures as hexagonal disk: Implementation as photoanode material and efficiency enhancement in Al: ZnO based dye sensitized solar cells}, journal = {Applied Surface Science}, volume = {470}, year = {2019}, month = {MAR}, pages = {1130-1138}, type = {Article}, abstract = {
Hexagon shaped pristine and Al doped ZnO nanodisks (NDs) with exposed +/- [0001] polar facets were successfully synthesized using modified sol-gel method without the involvement of any structural directing or capping agents. It was investigated that OH- ions in mixed solvent system is responsible for pore formation and inhibit the growth of ZnO along the direction of c-axis leading to a high percentage exposure of active +/- [0001] polar facets and encourage the formation of ZnO NDs. Crystallographic analysis revealed that crystallite size and lattice constants are decreased, with the addition of Al3+ ions. The results obtained from Raman, and XPS analysis further corroborated with the XRD results, revealed the successful incorporation of Al3+ ions into ZnO lattice. Optical study revealed the band gap tunability with the incorporation of Al ion as dopant. Enhanced power conversion efficiency (PCE) of 1.96\% (J(sc) similar to 7.69 +/- 0.23 mA/cm(2)) was observed for Al: ZnO hexagonal NDs based DSSC. The increased PCE in Al: ZnO based DSSC can be attributed to the higher inner surface area for dye anchoring by the interconnected network of the disk-like structure. The obtained results were satisfactory and most importantly the synthesis procedure proposed in present work is excellent for the synthesis of perfectly hexagonal shaped disks under precised synthesis parameters. The device interface study was further conducted using electrochemical impedance spectroscopy which revealed better charge transport process and charge storage ability with the incorporation of Al3+ ions into ZnO lattice.
}, keywords = {dye sensitized solar cells, Hexagonal disks, Sol-gel method, ZnO}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2018.11.077}, author = {Parra, Mohammad Ramzan and Pandey, Padmini and Siddiqui, Hafsa and Sudhakar, Vediappan and Krishnamoorthy, Kothandam and Haque, Fozia Z.} } @article {46266, title = {Experimental and density functional theory investigations of catechol sensing properties of ZnO/RGO nanocomposites}, journal = {Applied Surface Science}, year = {2019}, month = {NOV}, type = {Article}, abstract = {
Catechol, an essential industrial feedstock is one of the major environmental pollutant which causes several health issues including skin irritation, eye damage and genetic defects. In this work, we have investigated the catechol sensing performance of ZnO/RGO composites for its quantitative detection. ZnO/RGO composite showed superior electron transfer kinetics, sensitivity (162.04 mu A mM cm(-2)) and lower detection limit (47 nM) than that of bare ZnO nanoparticles. Further, the change in the zeta potential towards the lower negative demonstrated the strong electrostatic interaction between ZnO-RGO and catechol where it is converted as 1, 2 Benzoquinone through redox reactions. By using state of the art of Density Functional Theory simulations, we have demonstrated the interaction of catechol molecule on various ZnO clusters and RGO supported ZnO clusters. The strong bonding between p orbital of O atom of catechol and d orbital of Zn atom and its charge transfer facilitate the oxidation of catechol molecule. In the presence of RGO, the binding energy of catechol and charge transfer increases which qualitatively infer that RGO/ZnO exhibits higher sensitivity compared to bare ZnO and in consistency with the experimental observations.
}, doi = {10.1016/j.apsusc.2019.143588}, author = {Ponnusamy, Rajeswari and Venkatesan, Rajiu and Gangan, Abhijeet and Samal, Rutuparna and Chakraborty, Brahmananda and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {47159, title = {Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole}, journal = {Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials}, volume = {75}, year = {2019}, month = {DEC}, pages = {942-953}, type = {Article}, abstract = {
Metronidazole is a radiosensitizer; it crystallizes in the monoclinic system with space group P2(1)/c. The crystal structure of metronidazole has been determined from high-resolution X-ray diffraction measurements at 90 K with a resolution of (sin 0/lambda) max = 1.12 angstrom(-1). To understand the charge-density distribution and the electrostatic properties of metronidazole, a multipole model refinement was carried out using the Hansen-Coppens multipole formalism. The topological analysis of the electron density of metronidazole was performed using Bader{\textquoteright}s quantum theory of atoms in molecules to determine the electron density and the Laplacian of the electron density at the bond critical point of the molecule. The experimental results have been compared with the corresponding periodic theoretical calculation performed at the B3LYP/6-31G** level using CRYSTAL09. The topological analysis reveals that the N-O and C-NO2 exhibit less electron density as well as negative Laplacian of electron density. The molecular packing of crystal is stabilized by weak and strong inter- and intramolecular hydrogen bonding and H center dot center dot center dot H interactions. The topological analysis of O-H center dot center dot center dot N, C-H center dot center dot center dot O and H center dot center dot center dot H intra- and intermolecular interactions was also carried out. The electrostatic potential of metronidazole, calculated from the experiment, predicts the possible electrophilic and nucleophilic sites of the molecule; notably, the hydroxyl and the nitro groups exhibit large electronegative regions. The results have been compared with the corresponding theoretical results.
}, keywords = {atomic valence index, Electron density, Electrostatic potential, intermolecular interactions, metronidazole, radiosensitizer}, doi = {10.1107/S2052520619011272}, author = {Kalaiarasi, Chinnasamy and George, Christy and Gonnade, Rajesh G. and Hathwar, Venkatesha R. and Poomani, Kumaradhas} } @article {46152, title = {Experimental investigation of isothermal vapor-liquid equilibrium and estimation of excess thermodynamic properties (h(E)) of CHO2K-H2O from 278.15 to 423.15 K}, journal = {Journal of Chemical and Engineering Data}, volume = {64}, year = {2019}, month = {APR}, pages = {1488-1500}, type = {Article}, abstract = {
In this paper, vapor liquid equilibrium (VLE) of a binary mixture, potassium formate-water (CHO2K-H2O), was measured experimentally using a dynamic moving type VLE setup in the temperature range of 313.15 to 393.15 K. Overall, large vapor pressure data points generated for the mole fraction of CHO2K from 0.023 to 0.461 and the solution temperature up to 423.15 K were used to correlate the local composition-based activity coefficient model (NRTL model). The data obtained via the thermodynamic model fitting shows good agreement with the experimental VLE data with overall average relative deviation of 2.15\% and root-mean-square deviation of 0.25\%. The obtained results further indicate that the binary mixture exhibits a negative deviation from the Raoult{\textquoteright}s law, which is an important characteristic of the working fluid used for a heat-activated vapor absorption system (VAS). Therefore, the CHO2K-H2O mixture can be considered as an alternative working pair that will overcome the limitations allied to the crystallization and corrosion of the commercial working fluids mainly lithium bromide-water (LiBr-H2O). The fitted nonrandom two-liquid model was further utilized to determine the excess thermodynamic properties, solution enthalpy, solution entropy, and equilibrium P-T-x (Duhring) plot.
}, issn = {0021-9568}, doi = {10.1021/acs.jced.8b01078}, author = {Takalkar, Gorakshnath D. and Bhosale, Rahul R. and Mali, Nilesh A. and Bhagwat, Sunil S.} } @article {47175, title = {Experimental investigation on performance of helical spring lock washer under different operating conditions}, journal = {Journal of Failure Analysis and Prevention}, volume = {19}, year = {2019}, month = {JUL}, pages = {992{\textendash}1000}, type = {Article}, abstract = {
In mechanical systems, emphasis has been given to the selection and health monitoring of both bolt and nut in the bolted joint assembly; less attention has been given to the performance of spring washers due to tightening torque, usage duration and reuse. In the present experimental investigation, the load{\textendash}deflection characteristics of helical spring lock (HSL) washer during compressive loading and unloading are determined using newly designed and developed test rig. Also, the load{\textendash}deflection characteristics of the HSL washers are examined for reuse cycles. Additionally, the effect of compressive loading and unloading on the reaction load within elastic limit is determined. Further, the loss of helix height due to compressive loading and its effect on strain energy is examined. The tests have evidenced of loss of helix height and strain energy of HSL washer due to compressive loading which deteriorates its functionality in further usage.
}, doi = {10.1007/s11668-019-00685-z}, author = {Wagh, Hemant Krishnarao and Desale, Girish R.} } @article {46335, title = {Exploring battery-type ZnO/ZnFe2O4 spheres-3D graphene electrodes for supercapacitor applications: advantage of yolk-shell over solid structures}, journal = {ChemElectroChem }, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {
Recently, a ZnO/ZnFe2O4 composite has been reported to be a promising material for energy storage, owing to its large specific capacity and good redox activity. However, due to the inability to accommodate its strong volumetric variations during operation, it fails to retain its capacitance, which remains as a significant hitch. Herein, we present our attempt towards solving this through a binder-free electrode design comprising a porous yolk-shell ZnO/ZnFe2O4 composite matrixed inside a 3D network of graphene, which, in turn, is grown on Ni foam. The design exhibits a four-fold increase in its specific capacitance, yielding 1334 F g(-1) (specific capacity of 370.5 mAh g(-1)) at a current density of 0.5 A g(-1) in comparison to that of the ZnO/ZnFe2O4 electrodes (309 F g(-1) (85.8 mAh g(-1)) at 0.5 A g(-1)) comprising solid metal oxide spheres. The major advantage of the design is the well-defined yolk-shell architecture that provides free space for volume expansion during long cycling processes and channels for ionic transportation; whereas, the conductive 3D graphene network and porous Ni foam facilitate electronic conduction. The availability of free space in yolk-shell sphere electrodes facilitates the capacitance retention of up to 80 \% beyond 5000 cycles at a current density of 1 A g(-1), which is in contrast to the capacitance retained by the solid spheres of only approximately 60 \%. These results directly demonstrate the significant consequence of the yolk-shell architecture-based binder-free design and its promising potential in high-performing supercapacitors and batteries.
}, keywords = {binder-free electrodes, graphene hydrogels, Supercapacitors, volume expansion, yolk-shell spheres}, issn = {2196-0216}, doi = {10.1002/celc.201901269}, author = {Jhajharia, Suman Kumari and Manappadan, Zinoy and Selvaraj, Kaliaperumal} } @article {46225, title = {Exploring energy profiles of protein-protein interactions (PPIs) Using DFT method}, journal = {Letters in Drug Design \& Discovery}, volume = {16}, year = {2019}, month = {JUN}, pages = {670-677}, type = {Article}, abstract = {
Background: Large-scale energy landscape characterization of protein-protein interactions (PPIs) is important to understand the interaction mechanism and protein-protein docking methods. The experimental methods for detecting energy landscapes are tedious and the existing computational methods require longer simulation time.

Objective: The objective of the present work is to ascertain the energy profiles at the interface regions in a rapid manner to analyze the energy landscape of protein-protein interactions

Methods: The atomic coordinates obtained from the X-ray and NMR spectroscopy data are considered as inputs to compute cumulative energy profiles for experimentally validated protein-protein complexes. The energies computed by the program were comparable to the standard molecular dynamics simulations.

Results: The PPI Profiler not only enables rapid generation of energy profiles but also facilitates the detection of hot spot residue atoms involved therein.

Conclusion: The hotspot residues and their computed energies matched with the experimentally determined hot spot residues and their energies which correlated well by employing the MM/GBSA method. The proposed method can be employed to scan entire proteomes across species at an atomic level to study the key PPI interactions.
}, doi = {10.2174/1570180815666180815151141}, author = {Bapat, Sanket and Vyas, Renu and Karthikeyan, Muthukumarasamy} } @article {46070, title = {Exploring notch pathway to elucidate phenotypic plasticity and intra-tumor heterogeneity in gliomas}, journal = {Scientific Reports}, volume = {9}, year = {2019}, month = {JUL }, pages = {9488}, type = {Article}, abstract = {
The phenotypic plasticity and self-renewal of adult neural (aNSCs) and glioblastoma stem cells (GSCs) are both known to be governed by active Notch pathway. During development, GSCs can establish differential hierarchy to produce heterogeneous groups of tumor cells belong to different grades, which makes the tumor ecosystem more complex. However, the molecular events regulating these entire processes are unknown hitherto. In this work, based on the mechanistic regulations of Notch pathway activities, a novel computational framework is introduced to inspect the intra-cellular reactions behind the development of normal and tumorigenic cells from aNSCs and GSCs, respectively. The developmental dynamics of aNSCs/GSCs are successfully simulated and molecular activities regulating the phenotypic plasticity and self-renewal processes in normal and tumor cells are identified. A novel scoring parameter {\textquoteleft}{\textquoteleft}Activity Ratio{\textquoteright}{\textquoteright} score is introduced to find out driver molecules responsible for the phenotypic plasticity and development of different grades of tumor. A new quantitative method is also developed to predict the future risk of Glioblastoma tumor of an individual with appropriate grade by using the transcriptomics profile of that individual as input. Also, a novel technique is introduced to screen and rank the potential drug-targets for suppressing the growth and differentiation of tumor cells.
}, issn = {2045-2322}, doi = {10.1038/s41598-019-45892-8}, author = {Chowdhury, Saikat and Sarkar, Ram Rup} } @article {46149, title = {Exploring the potential of Desmodium gangeticum (L.) DC. extract against spatial memory deficit in rats}, journal = {Pharmacognosy Magazine}, volume = {15}, year = {2019}, month = {APR}, pages = {78-83}, type = {Article}, abstract = {
Background: A few published reports demonstrated the neuroprotective effect of Desmodium gangeticum (L.) DC. in an acute model of dementia. Objective: The purpose of the present study was to evaluate the preclinical efficacy of D. gangeticum against chronic dementia when administered prophylactically. Materials and Methods: Chronic spatial memory deficit was induced in rats by aluminum chloride (AlCl3, 10 mg/kg, i.p.). Treatment with hydroalcoholic whole plant extract of D. gangeticum (DG extract) was initiated 2 week before AlCl3 challenge and continued till the 51(st) day after the challenge, orally at the dose of 400 mg/kg/day. The spatial memory was assessed by Morris water maze test. Hippocampal and frontal cortex acetyl cholinesterase (AChE) and oxidative stress were assessed in diseased rat brains. Results: Chronic administration of AlCl3 produced spatial memory deficit in rats. Memory impairment was manifested in rats as an increase in escape latency and D-quadrant latency whereas a decrease in total time spent in D-quadrant. These behavioral alterations were reversed significantly by the treatment with DG extract. In addition, DG extract significantly increased the island time, indicating memory improvement. DG extract corrected the declined AChE in frontal cortex and altered frontal cortex/hippocampus catalase activity. Phytochemical investigation of the DG extract revealed large content of saponins among the other phytochemicals such as tannins, alkaloids, and flavonoids. Conclusion: These results indicate the possible prophylactic potential of saponin-rich DG extract against chronic memory deficit in rats.
}, keywords = {Acetyl cholinesterase, Aluminum chloride, dementia, Desmodium gangeticum (L) DC, Oxidative stress}, issn = {0973-1296}, doi = {10.4103/pm.pm_501_18}, author = {Changdar, Nilanjan and Ganjhu, Rajesh Kumar and Rijal, Samita and Kumar, Ayush and Mallik, Shanchari Basu and Nampoothiri, Madhavan and Shenoy, Rekha R. and Sonawane, Kiran B. and Rao, Mallikarjuna C. and Mudgal, Jayesh} } @article {46206, title = { Exploring the steady operation of a continuous pilot plant for the di-nitration reaction }, journal = {Chemical Engineering \& Technology}, year = {2019}, month = {AUG}, type = {Article; Early Access}, abstract = {
Continuous-flow synthesis of the selective herbicide pendimethalin was demonstrated in both a laboratory-scale and a pilot-scale reactor using only concentrated nitric acid as nitrating agent. The di-nitration reaction follows second-order kinetics where the reaction is first order with respect to both reactant and nitric acid. The pinched-tube reactor was chosen for pilot-scale reactor fabrication due to its excellent mixing and mass transfer characteristics compared to a straight-tube reactor. The estimated mass transfer coefficient showed similar nature in the laboratory-scale and the pilot-scale pinched-tube reactor, ensuring similar performance at the pilot scale. Di-nitration in continuous flow, inline quenching, extraction, and phase separation are some of the salient features of the developed pilot plant. The importance of the start-up time for achieving steady state in the flow system at the large scale is highlighted.
\
}, doi = {10.1002/ceat.201900140}, author = {Sharma, Mrityunjay and Acharya, Roopashree B. and Kulkarni, Amol A} } @article {46142, title = {External oxidant-dependent reactivity switch in copper-mediated intramolecular carboamination of alkynes: access to a different class of fluorescent ionic nitrogen-doped polycyclic aromatic hydrocarbons}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {APR }, pages = {4120-4130}, type = {Article}, abstract = {
An interesting case of external oxidant-controlled reactivity switch leading to a divergent set of ionic nitrogen-doped polycyclic aromatic hydrocarbons (N-doped PAHs), is presented here, which is quite unrecognized in copper-mediated reactions. In the current scenario, from the same pyridino-alkyne substrates, the use of the external oxidant Ph1(0Ac)2, in combination with Cu(OTf)(2), gave N-doped spiro-PAHs via a dearomative 1,2-carboamination process; whereas, without the use of oxidant, an alkyne/azadiene [4 + 2]-cycloaddition cascade occurred to exclusively afford ionic N-doped PAHs. These newly synthesized N-doped PAHs further exhibit tunable emissions, as well as excellent quantum efficiencies.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.9b00120}, author = {Shaikh, Aslam C. and Banerjee, Somsuvra and Mule, Ravindra D. and Bera, Saibal and Patil, Nitin T.} } @inbook {47466, title = {Facile process for ammonia sensing using electrospun polyvinylidene fluoride/polyaniline (PVDF/PANI) nanofibers chemiresister}, booktitle = {Advanced Materials}, volume = {224}, year = {2019}, pages = {3-15}, publisher = {Springer}, organization = {Springer}, abstract = {Electrospun polyvinylidene fluoride/polyaniline (PVDF/PANI) nanofibers chemiresister was fabricated by electrospinning and polymerization. As-fabricated PVDF/PANI nanofibers chemiresister was characterized by SEM, FTIR, TGA and DTG analyses. Cost effective with high accuracy microcontroller based sensor set up was designed for the measurement of change in resistance of chemiresister with respect to different concentrations of ammonia gas at various temperatures. The semiconducting behavior of the chemiresister was found to respond quickly towards ammonia gas. High sensitivity, fast response and recovery of PVDF/PANI nanofibers for ammonia gas at room temperature confirmed the chemiresister as potential candidate for ammonia sensing in environmental monitoring safety systems, chemical and automotive industries.}, doi = {10.1007/978-3-030-19894-7_1}, author = {Kondawar, Sanchit and Late, Dattatray J. and Anwane, Rajashree S. and Kondawar, Subhash B. and Koinkar, Pankaj and Parinov, Ivan A.} } @article {45501, title = {Facile production of mesoporous WO3-rGO hybrids for high-performance supercapacitor electrodes: an experimental and computational study}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {JAN}, pages = {2350-2359}, type = {Article}, abstract = {
This work explored a promising supercapacitor electrode material (WO3-rGO hybrids) synthesized via a simplistic one-pot hydrothermal synthesis route. Various analytical studies (X-ray diffraction study, Raman spectroscopy, field emission scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, Brunauer-Emmett-Teller analysis) were employed in furtherance to explore the structural, morphological, compositional, and surface areal properties of the prepared materials. The enhancement in electrochemical supercapacitive properties were evaluated from pure hexagonal phase WO3 to the various hybrids, depending on the concentration of GO introduced into it, using cyclic voltammetry, galvanostatic charge/discharge, and electrochemical impedance spectroscopy. The WG-80 composite revealed the high rise in capacitance value of 801.6 F/g overcoming the individual capacitance of rGO (71.11 F/g) and WO3 (94.22 F/g) at a current density of 4 A/g with good cycling stability (75.7\%) over 5000 cycles. We have presented quantum capacitance from ab initio calculations and provided theoretical explanation from the orbital interactions.
}, keywords = {Density functional theory, Hydrothermal method, supercapacitor, WO3-rGO hybrids}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.8b05132}, author = {Samal, Rutuparna and Chakraborty, Brahmananda and Saxena, Manav and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {45595, title = {Facile tuning of Ag@AgCl cubical hollow nanoframes with efficient sunlight-driven photocatalytic activity}, journal = {Applied Surface Science}, volume = {465}, year = {2019}, month = {JAN}, pages = {413-419}, type = {Article}, abstract = {In this work, a facile controlled synthesis of plasmonic photocatalyst, Ag@AgCl hollow cubic cage with the tuning of nanoframe structures was reported. AgCl cubical hollow nanoframes were primarily prepared using sacrificial NaCl template protocol. Ion exchange reaction between Ag+ in the solution and NaCl, in presence of poly(vinylpyrrolidone) (PVP) led to continuous nucleation followed by growth of AgCl on the surface of sacrificial NaCl template. The tuning of AgCl nanoframe structures was obtained by changing the AgNO3 concentration in the reactions. Afterwards, ethylene glycol assisted reduction of AgCl, produced Ag@AgCl, the metal@semiconductor composite with the homogeneous distribution of Ag nanoparticles on the surface of the AgCl hollow nanoframes. Efficient sunlight-driven photocatalytic activity to degrade Methylene blue (MB) (50 mL; 10 mg/L) with these Ag@AgCl hollow frames was also demonstrated. The plasmonic photocatalysts were exhibited photodegradation rates about 0.098{\textendash}0.184 min-1 with high catalytic activity and recyclability for five cycles. Additionally, active species entrapping experiments were performed and a possible mechanism for the enhanced photocatalytic performance of the synthesized plasmonic photocatalyst was also proposed.}, doi = {10.1016/j.apsusc.2018.09.163}, author = {Hanmant Gaikwad S. and Koratti, A. and Porel, Mukherjee S.} } @article {46092, title = {Facilitator roles of viruses in enhanced insect resistance to biotic stress}, journal = {Current Opinion in Insect Science}, volume = {33}, year = {2019}, month = {JUN}, pages = {111-116}, type = {Review}, abstract = {
Virus-insect interactions are primarily parasitic, yet diverse mutualistic interactions, some of which are symbiogenic, also occur. These viruses can modify insect physiology and behavior so that hosts can gain resistance against various biotic challenges like pathogen and parasites. In the recent past, many insect mutualistic viruses have been reported. Viruses can show symbiogenic interactions with some insects, which have been explored at the molecular level. However, understanding about molecular mechanisms for many of the mutualistic viruses is still enigmatic. Exploration of these interactions and its mechanism can shed light on phenomenon of virus mediated biotic stress resistance in insects.
}, issn = {2214-5745}, doi = {10.1016/j.cois.2019.05.008}, author = {Jagdale, Shounak S. and Joshi, Rakesh S.} } @article {45516, title = {Fe2P4O12-carbon composite as a highly stable electrode material for electrochemical capacitors}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {JAN}, pages = {399-406}, type = {Article}, abstract = {
Supercapacitors are important energy storage devices for high power applications. Carbon materials, metal oxides and conducting polymers have been known to show capacitive charge storage but transition metal phosphates are not as well-known as electrode materials in supercapacitors. In this study, an iron cyclotetraphosphate (Fe2P4O12)-carbon composite has been synthesized and demonstrated as an electrode material for supercapacitors. The Fe2P4O12-carbon composite has been thoroughly characterized by X-ray photoelectron spectroscopy, Raman spectroscopy, X-ray diffraction, electron microscopy, etc. The composite shows predominant capacitive behaviour only in acidic medium; its charge storage properties are relatively poor in alkaline medium, indicating the important role of H+ in the charge storage mechanism. The composite shows a capacitance of 251 F g(-1) at a current density of 1 A g(-1). The composite is highly stable in 0.5 M H2SO4 and does not show any apparent capacitance loss after 9000 charge-discharge cycles recorded at a current density of 5 A g(-1).
}, issn = {1144-0546}, doi = {10.1039/c8nj04671a}, author = {Soni, Roby and Kurungot, Sreekumar} } @article {46132, title = {Fe(III)-Catalyzed diastereoselective friedel-crafts alkylation-hemiketalization-lactonization cascade for the synthesis of polycyclic bridged 2-chromanol lactones}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {APR }, pages = {2629-2633}, type = {Article}, abstract = {
An unprecedented Fe(III)-catalyzed Friedel-rafts alkylation-hemiketalization-lactonization cascade of electron-rich hydroxy arenes and distinctively functionalized unsaturated 4-keto esters is developed for the construction of polycyclic bridged 2-chromanol lactones. Following this simple and facile protocol, a broad range of products was prepared in good to excellent yields as a single diastereomer. An unusual conglomerate (enantiomerically pure polymorph) of 3ac is reported along with the absolute stereochemistry, and the remaining products were rigorously confirmed by single-crystal X-ray analysis and analogy.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b00614}, author = {Borade, Balasaheb R. and Nomula, Rajesh and Gonnade, Rajesh G. and Kontham, Ravindar} } @article {46355, title = {Ferets diameter estimation of activated carbon for effluent treatment application}, journal = {Journal of the Indian Chemical Society}, volume = {96}, year = {2019}, month = {AUG}, pages = {1067-1074}, type = {Article}, abstract = {
In this paper, activated carbon was produced of by chemical activation with phosphoric acid of agricultural wastes such as Arecanut shell of 25 micronmeter at 400 degrees C by slow pyrolysis. The BET surface area and iodine number surface area is calculated and compared. The FTIR spectra show the presence of activated carbon. The TGA revealed, activated carbon is thermally stable at 480 degrees C. The SEM shows the incorporation of activated carbon particles leads to the systematic change in morphology of activated carbon. Surface area plot shows the details of morphological change caused by iodine number surface area. Ferets diameter is estimated to know circularity of the particle. Methylene blue number, acid adsorption value is calculated to know adsorption capacity of the carbon. Thus results proves selection of ferets diameter, activation temperature, and impregnation ratio is important in determining the quality of activated carbon obtained and its use in industrial waste water treatment.
}, keywords = {activated carbon, Arecanut shell, Phosphoric acid, teret diameter}, issn = {0019-4522}, author = {Jadhav, Abhijit and Mohanraj, Govindraj and Gokarn, Ashok and Mayadevi, Susheeladevi} } @article {46183, title = {Fiber optic Fabry-Perot interferometer sensor: an efficient and fast approach for ammonia gas sensing}, journal = {Journal of the Optical Society of America B-Optical Physics}, volume = {36}, year = {2019}, month = {MAR }, pages = {684-689}, type = {Article}, abstract = {
In this work, we propose and demonstrate a Fabry-Perot-interferometer-based polydimethylsiloxane (PDMS) and poly(methyl methacrylate) (PMMA)-composite-coated optical sensor for ammonia and volatile organic compounds (VOCs) detection at room temperature. The principle of sensing is based on change in the cavity length of the FP cavity in the presence of varied concentrations of gases, which results in changes in the total reflectance due to the shift in wavelength of an interference pattern. The sensing composite material was coated on a single-mode optical fiber by using a simple dip-coating technique and explored it for sensing. The ammonia and VOCs measurements were performed for concentrations ranging from 5 to 500 ppm. The corresponding sensitivity and limit of detection of the developed sensor for ammonia gas detection was observed of the order of around 4.16 pm/ppm and 4.8 ppm, respectively. The response and recovery times of the sensor were found to be of the order of 50 s and 10 s, respectively, for the ammonia gas. This sensor provides a simple, cost-effective, highly sensitive, and repeatable approach to measure ammonia gas and other VOCs at room temperature and could fulfill the demands of industrial applications. (C) 2019 Optical Society of America
}, issn = {0740-3224}, doi = {10.1364/JOSAB.36.000684}, author = {Kanawade, Rajesh and Kumar, Ajay and Pawar, Dnyandeo and Late, Dattatray and Mondal, Samir and Sinha, Ravindra K.} } @article {46246, title = {Fickian yet non-Gaussian behaviour: A dominant role of the intermittent dynamics (vol 146, 134504, 2017)}, journal = {Journal of Chemical Physics}, volume = {151}, year = {2019}, month = {AUG}, type = {Article}, doi = {10.1063/1.5120313}, author = {Acharya, Sayantan and Nandi, Ujjwal Kumar and Bhattacharyya, Sarika Maitra} } @article {46017, title = {Fine-tuning of Terahertz resonances in hydrogen-bonded organic molecular complexes}, journal = {Journal of Molecular Structure}, volume = {1184}, year = {2019}, month = {MAY}, pages = {495-502}, type = {Article}, abstract = {
Novel organic molecular complexes have been designed and synthesized to obtain prominent Terahertz (THz) resonances in the low-frequency region. Intermolecular hydrogen bonds give rise to low-frequency THz resonances and hence binary organic molecular complexes of pyridyl alkylamide/benzamide (DAP) and hexyl thymine (C6THY) with multiple strong intermolecular hydrogen bonds (N-H{\textendash}-O and N-H{\textendash}-N) are designed and synthesized. THz resonances of the complexes are fine-tuned by varying the number of benzene rings in the DAP moiety (PrDAP + C6THY, PrPhDAP + C6THY and PhDAP + C6THY). DFT simulation studies of two molecule clusters have been carried out to understand the origin of low-frequency THz resonances. It has been observed that the lowest THz resonances (\< 2 THz) originate due to translation/rotation of the whole crystal structure and the resonances from 2 to 4 THz are mainly due to intermolecular hydrogen bond bending/stretching vibrations. In order to understand the individual hydrogen bond strengths, compliance constants, which are inverse of the force constants are calculated and Natural Bond Orbital (NBO) analysis has been carried out. Comparison of the experimental THz spectra of different complexes shows that there is a small but tunable variation in THz resonances from one complex to another. Tuning of THz resonances has potential applications in designing THz tags, which can be used in various anti-counterfeiting applications such as currency notes, pharmaceutical tablets. (C) 2019 Elsevier B.V. All rights reserved.
}, keywords = {Compliance constant, Natural bond orbital analysis, Organic molecular complex, Terahertz spectroscopy}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2019.02.002}, author = {Dash, Jyotirmayee and Ray, Shaumik and Devi, Nirmala and Basutkar, Nitin and Ambade, Ashootosh V. and Pesala, Bala} } @article {45475, title = {Flocculation of kaolin from aqueous suspension using low dosages of acrylamide-based cationic flocculants}, journal = {Journal of Applied Polymer Science}, volume = {136}, year = {2019}, month = {APR}, pages = {Article Number: 47286}, type = {Article}, abstract = {
Flocculation of kaolin from aqueous streams has become very important in view of its wide range of applications. In this work, cationic flocculants based on copolymers of acrylamide (AM) and 3-acrylamidopropyltrimethylammonium chloride (APTMAC) were synthesized with two different mole ratios of monomers, 80 mol \% of AM (CP-8020) and 40 mol \% of AM (CP-4060). The chemical structures of copolymers were confirmed by H-1 and carbon-13 nuclear magnetic resonance (C-13 NMR) spectroscopy. The molecular weight (MW) and zeta potential of the copolymers were determined. High MW was obtained for copolymer with high content of AM (CP-8020) and high zeta potential was observed for copolymer with high content of APTMAC (CP-4060). Flocculation of kaolin suspension was performed using both CP-8020 and CP-4060 and the flocculation was correlated to the zeta potential and MW of the copolymers. The optimum dosages of flocculants were determined. The mechanism of flocculation was discussed in terms of charge neutralization and bridging. The flocs of kaolin were characterized in terms of moisture content and size. To the best of our knowledge, this copolymer system was used for the first time for kaolin flocculation and found out to be efficient. (c) 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47286.
}, keywords = {copolymers, hydrophilic polymers, polyelectrolytes}, issn = {0021-8995}, doi = {10.1002/app.47286}, author = {Suresha, P. R. and Badiger, Manohar V.} } @article {45486, title = {Flow, mixing, and heat transfer in fluidic oscillators}, journal = {Canadian Journal of Chemical Engineering}, volume = {97}, year = {2019}, month = {FEB}, pages = {542-559}, type = {Article}, abstract = {
There is an increasing emphasis on process intensification and development of compact, intensified reactors and separators in recent years. Significant efforts are being made to develop such intensified reactors and separators without any moving parts. Some of the recent research studies have proven that a liquid-liquid extractor based on the Coanda effect and feedback oscillations exhibit excellent mixing and liquid-liquid contacting. These fluidic oscillators can potentially be used for a variety of other multiphase reactions and systems demanding enhanced mixing and heat and mass transfer. In this work, we have computationally investigated flow, mixing, and heat transfer in fluidic oscillators based on the Coanda effect. Available information on flow and mixing in fluidic oscillators was critically reviewed and key gaps in the available knowledge with respect to the design and optimization of fluidic oscillators were identified. Computational flow models were developed to characterize key flow features like unsteady flows, secondary vortices, and internal recirculation over a range of Reynolds number (Re = 90-1538) for three different oscillator designs. Systematic numerical studies were carried out to quantify different flow regimes, oscillations, and the influence of key geometric parameters on flow, mixing, and heat transfer. Simulated results were critically analyzed and are presented in the form of dimensionless numbers. The approach and results presented in this work will provide useful insights and a systematic basis for extending the applications of the Coanda-based feedback oscillatory devices for a wide range of engineering applications.
}, keywords = {CFD, Coanda effect, fluidic oscillators, heat transfer, mixing}, issn = {0008-4034}, doi = {10.1002/cjce.23377}, author = {Khalde, Chirag M. and Pandit, Ajinkya V. and Sangwai, Jitendra S. and Ranade, Vivek V.} } @article {46054, title = {Flower bud proteome reveals modulation of sex-biased proteins potentially associated with sex expression and modification in dioecious Coccinia grandis}, journal = {BMC Plant Biology}, volume = {19}, year = {2019}, month = {JUL}, pages = {330}, type = {Article}, abstract = {
BackgroundDioecy is an important sexual system wherein, male and female flowers are borne on separate unisexual plants. Knowledge of sex-related differences can enhance our understanding in molecular and developmental processes leading to unisexual flower development. Coccinia grandis is a dioecious species belonging to Cucurbitaceae, a family well-known for diverse sexual forms. Male and female plants have 22A+XY and 22A+XX chromosomes, respectively. Previously, we have reported a gynomonoecious form (22A+XX) of C. grandis bearing morphologically hermaphrodite flowers (GyM-H) and female flowers (GyM-F). Also, we have showed that foliar spray of AgNO3 on female plant induces morphologically hermaphrodite bud development (Ag-H) despite the absence of Y-chromosome.ResultsTo identify sex-related differences, total proteomes from male, female, GyM-H and Ag-H flower buds at early and middle stages of development were analysed by label-free proteomics. Protein search against the cucumber protein sequences (Phytozome) as well as in silico translated C. grandis flower bud transcriptome database, resulted in the identification of 2426 and 3385 proteins (FDR \<= 1\%), respectively. The latter database was chosen for further analysis as it led to the detection of higher number of proteins. Identified proteins were annotated using BLAST2GO pipeline. SWATH-MS-based comparative abundance analysis between Female_Early_vs_Male_Early, Ag_Early_vs_Female_Early, GyM-H_Middle_vs_Male_Middle and Ag_Middle_vs_ Male_Middle led to the identification of 650, 1108, 905 and 805 differentially expressed proteins, respectively, at fold change \>= 1.5 and P \<= 0.05. Ethylene biosynthesis-related candidates as highlighted in protein interaction network were upregulated in female buds compared to male buds. AgNO3 treatment on female plant induced proteins related to pollen development in Ag-H buds. Additionally, a few proteins governing pollen germination and tube growth were highly enriched in male buds compared to Ag-H and GyM-H buds.ConclusionOverall, current proteomic analysis provides insights in the identification of key proteins governing dioecy and unisexual flower development in cucurbitaceae, the second largest horticultural family in terms of economic importance. Also, our results suggest that the ethylene-mediated stamen inhibition might be conserved in dioecious C. grandis similar to its monoecious cucurbit relatives. Further, male-biased proteins associated with pollen germination and tube growth identified here can help in understanding pollen fertility.
}, keywords = {Coccinia grandis, Dioecy, Pollen fertility, proteomics, Sex modification, Stamen arrest}, issn = {1471-2229}, doi = {10.1186/s12870-019-1937-1}, author = {Devani, Ravi Suresh and Chirmade, Tejas and Sinha, Sangram and Bendahmane, Abdelhafid and Dholakia, Bhushan B. and Banerjee, Anjan Kumar and Banerjee, Jayeeta} } @article {46423, title = {Fluorescent carbon nanodots for targeted in vitro cancer cell imaging (vol 4, pg 71, 2016)}, journal = {Applied Materials Today}, volume = {17}, year = {2019}, month = {DEC}, pages = {236-240}, type = {Correction}, issn = {2352-9407}, doi = {10.1016/j.apmt.2019.07.014}, author = {Aiyer, Sandhya and Prasad, Rajendra and Kumar, Manoj and Nirvikar, K. and Jain, Bhanprakash and Kushwaha, Omkar S.} } @article {47153, title = {Fluorescent carbon-dots thin film for fungal detection and bio-labeling applications}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {NOV}, pages = {5829{\textendash}5840}, type = {Article}, abstract = {
The fluorescence properties of CDs, such as high quantum yield, tunability of emission color, and so on, make a strong potential material in various fields. These applications are mainly derived from in situ formation of surface functional groups, high chemical stability, biocompatibility, and easy interaction with substrates, etc. Mostly, the research applications of CDs concentrate on the labeling of biological species, drug delivery, and sensing in consequent biomedical applications. However, the detection of the fungal species/spores present in the environment by using CDs is rarely reported. Herein, we demonstrate CDs-based thin film as a sensor for detection of fungal spores from the environment. The procedure of detection is based on fluorescence, observed in the film of carbon dots deposited on quartz plates by using the Blodgett technique. It is observed that the CDs film shows quenching in the fluorescence intensity by the substrate, namely, fungal spores{\textquoteright} (Aspergillus niger, Penicillium chrysogenum, Alternaria alternata). The effective features of the present detector system are easy fabrication, low cost, high stability, and a green and economical procedure of synthesis. The process of detecting fungal spores even at low concentration from the atmosphere is relatively fast when compared to presently used methods. Finally, real-world feasibility of the sensor film is tested by its successful application for the determination of the presence fungal spores in the environment. Furthermore, CDs have been also successfully applied for the bio-labeling of Staphylococcus aureus (Gram-positive) and Escherichia coli (Gram-negative) bacterial systems.
}, author = {Gaikwad, Aarti and Joshi, Meenal and Patil, Kashinath and Sathaye, Shivaram and Rode, Chandrashekhar V.} } @article {46082, title = {Fluorogenic BODIPY molecular rotor as an apoptosis marker}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JUN }, pages = {6902-6905}, type = {Article}, abstract = {
Based on a BODIPY molecular rotor and a zinc-dipicolylamine receptor, we designed a fluorogenic probe for the detection of apoptosis. Being poorly emissive in solution and with healthy cells, it selectively binds phosphatidylserine of early apoptotic cells and internalizes into late apoptotic cells, lighting up its green fluorescence.
}, issn = {1359-7345}, doi = {10.1039/c9cc03242h}, author = {Ashokkumar, Pichandi and Ashoka, Anila Hoskere and Collot, Mayeul and Das, Amitava and Klymchenko, Andrey S.} } @article {46199, title = {Folding and aggregation energy landscapes of tethered RRM domains of human TDP-43 are coupled via a metastable molten globule-like oligomer}, journal = {Biochemistry}, volume = {58}, year = {2019}, month = {FEB }, pages = {608-620}, type = {Article}, abstract = {
Stress-induced misfolding and intraneuronal aggregation of the highly conserved nucleic acid binding protein TDP-43 (transactive response DNA binding protein 43 kDa) and its fragments have been implicated in amyotrophic lateral sclerosis and several other neurodegenerative diseases. However, the physicochemical mechanism of its misfolding from the functional folded state is poorly understood. TDP-43 is a four-domain protein and performs the essential nucleic acid binding function with the help of its two tandem RNA recognition motif domains naturally tethered by a linker (called here the tethered RRM domain of TDP-43 or TDP-43(tRRM)). Here, we show that the monomeric native form of TDP-43(tRRM) remains in a pH-dependent and reversible thermodynamic equilibrium with a protonated, nanosized, 40-merit form (the A form). Under the stress-like low-pH condition, the A form becomes predominantly populated. In the A form, protein molecules have restricted dynamics of surface side-chain residues but native-like secondary structure. This self-assembled form possesses a loosely packed core in which the intrinsically disordered and aggregation-prone regions are in the proximity. The A form is metastable and swiftly aggregates into a highly stable amyloid-like protofibrillar form (beta form) mediated by the disorder-to-order transition of intrinsically disordered regions upon small environmental perturbations. Interestingly, the A form and the beta form are not formed when TDP-43(tRRM) is bound to DNA, indicating that the nucleic acid binding regions of the protein participate in their formation. Our results reveal how the energy landscapes of folding and aggregation of TDP-43(tRRM) are coupled by a metastable molten-globule like oligomeric form and modulated by stress-like conditions.
}, issn = {0006-2960}, doi = {10.1021/acs.biochem.8b01013}, author = {Pillai, Meenakshi and Jha, Santosh Kumar} } @article {46436, title = {Formal synthesis of brivaracetam: a key to construct the pyrrolidone scaffold using Pd-catalyzed oxidative cyclization and ring-closing metathesis reaction}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {NOV}, pages = {151249}, type = {Article}, abstract = {
A short and efficient synthetic approach for brivaracetam has been accomplished via two different routes which utilize Pd-catalyzed oxidative cyclization and ring-closing metathesis (RCM) as the key reaction. These two routes are novel, simple, scalable and rely on (E)-pent-2-en-1-ol and valeraldehyde as a commercially available starting material to yield brivaracetam with good overall yield. (C) 2019 Published by Elsevier Ltd.
}, keywords = {Antiepileptic drugs, Pd-catalyzed oxidative cyclization, pyrrolinone, Ring-closing metathesis reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.151249}, author = {Chavan, Subhash P. and Kawale, Sanket A. and Chavan, Prakash N.} } @article {46424, title = {Formic-acid-induced using recyclable-ionic liquids as catalysts for lignin conversion into aromatic co-products}, journal = {Waste and Biomass Valorization}, year = {2019}, month = {NOV}, type = {Article; Early Access}, abstract = {
Lignin has been widely named as a sustainable and renewable bioresource of energy, fuels, chemicals and materials, particularly phenolic chemicals production on Earth. These bio-derived compounds are in great potential need of biorefinery to valorize complete plant biomass. Lignin depolymerization showed a great promise approach to convert into low molecular aromatic products. In this report, high molecular weight (54,000 Da) lignin depolymerization into maximum yields (87\%), (\>= 95 +/- 6\% mass balance) using a formic acid along with dual (-SO3H) functionalized imidazole-based recyclable (4 times) Bronsted acidic ionic liquids (BAILs) as catalysts have been investigated in H2O-CH3OH (1:5, v/v) at 120 degrees C for 1 h. The structural correlations between the lignin and aromatic products were studied by bulk (CHNS, GPC, etc.) and molecular (UV-Vis, FT-IR, NMR (1D/2D) levels experimental techniques. Additionally, the identification of aromatic products was carried out by applying HPLC, GC and GC-MS techniques. Graphic Addition of a formic acid into Bronsted acidic ionic liquids improved the catalytic efficiency significantly for lignin depolymerization into 87\% low molecular weight aromatic products. [GRAPHICS] .
}, keywords = {Bulk and molecular levels analysis, depolymerization, Dual functionalized ionic liquids, Formic acid, lignin}, issn = {1877-2641}, doi = {10.1007/s12649-019-00896-3}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {46150, title = {Formulation and evaluation of wound healing activity of sophorolipid-sericin gel in wistar rats}, journal = {Pharmacognosy Magazine}, volume = {15}, year = {2019}, month = {APR}, pages = {123-127}, type = {Article}, abstract = {
Sericin is a useful by-product of silk processing and is resistant to oxidation and ultraviolet and can absorb and release moisture easily. Sericin has biological activities such as antibacterial, antioxidant, and tyrosinase inhibition. Sophorolipids are microbial extracellular glycolipids produced by resting cells of Candida bombicola. Sophorolipids show excellent skin compatibility and also have antibacterial property. In this study, we have developed a novel formulation consisting of sericin and sophorolipid with calcium alginate as a binding agent. Since both the ingredients are biocompatible and biodegradable, the formulation was tested for wound healing in Wistar rats. A commercial ointment povidone was used as control. The animal group, treated with sericin and sophorolipid cream, showed fast contraction, rapid closure, and healing when compared with control and commercial ointment. These observations were validated with histopathological studies where more fibroblast proliferation, angiogenesis, and keratinization were observed. This is a green, cost-effective formulation for fast wound healing.
}, keywords = {Biocompatibility, formulation, sericin, Sophorolipid, wound Healing}, issn = {0973-1296}, doi = {10.4103/pm.pm_392_18}, author = {More, V. Snehal and Koratkar, Santosh S. and Kadam, Navnath and Agawane, Sachin and Prabhune, Asmita} } @article {46331, title = {Francisella novicida Cas9 interrogates genomic DNA with very high specificity and can be used for mammalian genome editing}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {116}, year = {2019}, month = {OCT}, pages = {20959-20968}, type = {Article}, abstract = {
Genome editing using the CRISPR/Cas9 system has been used to make precise heritable changes in the DNA of organisms. Although the widely used Streptococcus pyogenes Cas9 (SpCas9) and its engineered variants have been efficiently harnessed for numerous gene-editing applications across different platforms, concerns remain regarding their putative off-targeting at multiple loci across the genome. Here we report that Francisella novicida Cas9 (FnCas9) shows a very high specificity of binding to its intended targets and negligible binding to off-target loci. The specificity is determined by its minimal binding affinity with DNA when mismatches to the target single-guide RNA (sgRNA) are present in the sgRNA:DNA heteroduplex. FnCas9 produces staggered cleavage, higher homology-directed repair rates, and very low nonspecific genome editing compared to SpCas9. We demonstrate FnCas9-mediated correction of the sickle cell mutation in patient-derived induced pluripotent stem cells and propose that it can be used for precise therapeutic genome editing for a wide variety of genetic disorders.
}, keywords = {CRISPR Cas9, gene therapy, Genome editing, iPSCs, sickle cell anemia}, issn = {0027-8424}, doi = {10.1073/pnas.1818461116}, author = {Acharya, Sundaram and Mishra, Arpit and Paul, Deepanjan and Ansari, Asgar Hussain and Azhar, Mohd and Kumar, Manoj and Rauthan, Riya and Sharma, Namrata and Aich, Meghali and Sinha, Dipanjali and Sharma, Saumya and Jain, Shivani and Ray, Arjun and Jain, Suman and Ramalingam, Sivaprakash and Maiti, Souvik and Chakraborty, Debojyoti} } @article {46215, title = { Freestanding borophene and Its hybrids }, journal = {Advanced Materials}, volume = {31}, year = {2019}, month = {JULY}, type = {Article}, abstract = {
Borophene, an elemental metallic Dirac material is predicted to have unprecedented mechanical and electronic character. Need of substrate and ultrahigh vacuum conditions for deposition of borophene restricts its large-scale applications and significantly hampers the advancement of research on borophene. Herein, a facile and large-scale synthesis of freestanding atomic sheets of borophene through a novel liquid-phase exfoliation and the reduction of borophene oxide is demonstrated. Electron microscopy confirms the presence of beta(12), X-3, and their intermediate phases of borophene; X-ray photoelectron spectroscopy, and scanning tunneling microscopy, corroborated with density functional theory band structure calculations, validate the phase purity and the metallic nature. Borophene with excellent anchoring capabilities is used for sensing of light, gas, molecules, and strain. Hybrids of borophene as well as that of reduced borophene oxide with other 2D materials are synthesized, and the predicted superior performance in energy storage is explored. The specific capacity of borophene oxide is observed to be approximate to 4941 mAh g(-1), which significantly exceeds that of existing 2D materials and their hybrids. These freestanding borophene materials and their hybrids will create a huge breakthrough in the field of 2D materials and could help to develop future generations of devices and emerging applications.
\
}, doi = { 10.1002/adma.201900353}, author = {Ranjan, Pranay and Sahu, Tumesh Kumar and Bhushan, Rebti and Yamijala, Sharma S. R. K. C. and Late, Dattatray J and Kumar, Prashant and Vinu, Ajayan} } @article {46067, title = {Friction-mediated flow and jamming in a two-dimensional silo with two exit orifices}, journal = {Physical Review E}, volume = {100}, year = {2019}, month = {JUL }, pages = {012901}, type = {Article}, abstract = {
We show that the interparticle friction coefficient significantly influences the flow and jamming behavior of granular materials exiting through the orifice of a two-dimensional silo in the presence of another orifice located in its vicinity. The fluctuations emanating from a continuous flow through a larger orifice results in an intermittent flow through the smaller orifice consisting of sequential jamming and flowing events. The mean time duration of jammed and flow events, respectively, increase and decrease monotonically with increasing interparticle friction coefficient. The frequency of unjamming instances (n(u)), however, shows a nonmonotonic behavior comprising an increase followed by a decrease with increasing friction coefficient. The decrease on either side of the maximum, then, represents a system moving progressively towards a permanently jammed or a permanently flowing state. The overall behavior shows a systematic dependence on the interorifice distance, which determines the strength of the fluctuations reaching the smaller orifice leading to unjamming instances. The probability distributions of jamming and flowing times are nearly similar for different combinations of friction coefficients and interorifice distances studied and, respectively, exhibit exponential and power-law tails.
}, issn = {2470-0045}, doi = {10.1103/PhysRevE.100.012901}, author = {Orpe, Ashish V. and Doshi, Pankaj} } @inbook {47467, title = {Functionalization of graphene - a critical overview of its improved physical, chemical and electrochemical properties}, booktitle = {Surface Engineering of Graphene}, year = {2019}, pages = {139-173}, publisher = {Springer}, organization = {Springer}, abstract = {Graphene, the 2D allotrope of carbon, is reported to be functionalized with a plethora of organic and inorganic species. This functionalization imparts significant improvement in the physical, chemical and electrochemical properties of graphene. The covalent and non-covalent functionalization of graphene with electron-rich organic moieties and heteroatoms is focused on different sections of this chapter. The focus is laid on the improvement in physical, chemical and electrochemical properties of graphene achieved through this functionalization. The enhancement in electrocatalytic activity of non-metal-doped graphene towards the oxygen reduction reaction, methanol oxidation reaction and photocatalysis is covered. Towards the end, the potential uses of functionalized graphene for selected applications like biosensors, fuel cells and dye-sensitized solar cells are also discussed.}, doi = {10.1007/978-3-030-30207-8_6}, author = {Singh, Ramesh Kumar and Nalajala, Naresh and Kar, Tathagata and Schechter, Alex} } @inbook {47475, title = {Fundamentals and properties of 2D materials in general and sensing applications}, booktitle = {Fundamentals and Sensing Applications of 2D Materials}, number = {Woodhead Publishing Series in Electronic and Optical Materials}, year = {2019}, pages = {5-24}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {The chapter focuses on the various forms of graphene, such as two-dimensional (2D) layered structures and their properties, and explores fundamentals and various sensing applications. It emphasizes the bandgap engineering of these materials when reduced to a few layer structures from bulk counterparts. The effect of synthesis routes and the development of such monolayers as components of sensing devices is also discussed. Furthermore this chapter discusses a generic overview of sensors and their performance-determining parameters along with the principles by which the operation of gas, humidity, and biosensing are differentiated. This chapter sheds light on the individual properties of 2D materials that have been developed as sensors and compares the performances. The main purpose of this chapter is to highlight the progress of applications of 2D materials in sensing devices and to show how they perform better when compared to their silicon and graphene counterparts, owing to better control and their remarkable electronic properties. }, doi = {10.1016/B978-0-08-102577-2.00002-6} } @inbook {47481, title = {Fundamentals and sensing applications of 2D materials}, number = {A volume in Woodhead Publishing Series in Electronic and Optical Materials}, year = {2019}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {Fundamentals and Sensing Applications of 2D Materials provides a comprehensive understanding of a wide range of 2D materials. Examples of fundamental topics include: defect and vacancy engineering, doping and advantages of 2D materials for sensing, 2D materials and composites for sensing, and 2D materials in biosystems. A wide range of applications are addressed, such as gas sensors based on 2D materials, electrochemical glucose sensors, biosensors (enzymatic and non-enzymatic), and printed, stretchable, wearable and flexible biosensors. Due to their sub-nanometer thickness, 2D materials have a high packing density, thus making them suitable for the fabrication of thin film based sensor devices.}, doi = {10.1016/C2017-0-02396-0}, author = {Hywel, Morgan and Rout, Chandra Sekhar and Late, Dattatray J.} } @inbook {47469, title = {Fungi the crucial contributors for nanotechnology: a green chemistry perspective}, booktitle = {Advancing Frontiers in Mycology \& Mycotechnology}, year = {2019}, pages = {279-298}, publisher = {Springer}, organization = {Springer}, abstract = {Myconanotechnology has gained an exceptional momentum in today{\textquoteright}s world. It encompasses a wide range of applications like in agriculture, biomedical, electronics, textiles, cell and molecular biology, nanodevices, and many more. This fast-growing research field has a list of many nanoparticles that have been synthesized from different kinds of fungi. It is an eco-friendly approach that has sidelined the conventional methods of chemical and physical synthesis that require high energy and are toxic and expensive. The fungal-based synthesis gains functionality due to its discrete and diversified advantages that are being explored. Various parameters like temperature, pH, time and concentrations of fungal biomass or extract as well as of the precursor play a vital role in the protocols. These factors have to be optimized for the laboratory as well as industrial scale production. A greater importance to the use of cell-free extracts for nanosynthesis has been given. They contain the enzymes that are reported to be involved in the synthesis mechanisms as reducing agents and capping agents. The role of fungi in nanosynthesis and nanotechnology per se has many patents under its name. Although there are voids in the existing synthesis methods as well as lacunae in the application part that need to be addressed and filled. With an extensive research and work, myconanoparticles can be exploited to the maximum and lead its advancement in new areas.}, doi = {10.1007/978-981-13-9349-5_11}, author = {Moudgil, Aliesha and Chaudhari, Bhushan P.} } @inbook {47477, title = {Future prospects of 2D materials for sensing applications}, booktitle = {Fundamentals and Sensing Applications of 2D Materials}, number = {Woodhead Publishing Series in Electronic and Optical Materials}, year = {2019}, pages = {481-482}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {Two-dimensional (2D) material attracted significant research interest from the discovery of graphene in 2004. These 2D materials allow a platform for artificial integration of heterostructures with unique platforms that show exotic physical attributes and phenomenon as well as properties and applications. Each layer in 2D materials consist of a covalent bond, a dangling bond-free lattice, and weak van der Waals (vdWs) interaction. This makes it feasible to fabricate lateral and vertical vdWs heterostructures without the constraints of lattice matching and processing compatibility. These vdWs heterostructures open a door for a broad range of applications in electronics, optoelectronics, flexible devices, sensors, and photovoltaics. In this chapter, we have critically assessed the recent developments in 2D materials, the fabrication of heterostructures, and their application for sensing purposes. We conclude with current challenges and ideas concerning future developments in this merging field.}, doi = {10.1016/B978-0-08-102577-2.00014-2}, author = {Morgan, Hywel and Rout, Chandra S. and Late, Dattatray J.} } @article {47484, title = {Global study of MFS superfamily transporters in arabidopsis and grapes reveals their functional diversity in plants}, journal = {Plant Gene}, volume = {18}, year = {2019}, month = {JUN }, type = {Article}, abstract = {The Major Facilitator Superfamily (MFS) is the largest superfamily of secondary transporters present in all organisms, from prokaryotes to higher eukaryotes, that facilitates transport of diverse molecules like sugars, vitamins, amino-acids, hormones, etc. across cell membranes. The superfamily was further expanded to MFS Superfamily (MFSS) to integrate MFS with nine more families. The present study revealed their land plant specific diversity through identification across six species from unicellular alga to higher flowering plants. We identified 71, 131, 254, 260, 213 and 203 MFSS transporters in Chlamydomonas reinhardtii, Physcomitrella patens, Selaginella moellendorffii, Oryza sativa (var. Japonica), Arabidopsis thaliana and Vitis vinifera, respectively and classified them into MFSS families and subfamilies based on their transporter classification identifiers (TCIDs). Detailed analysis of 20 land plant specific subfamilies was conducted in A. thaliana and V. vinifera. Phylogenetic and gene duplication studies revealed the expansion of sugar porter and proton dependent oligopeptide transporter families in Arabidopsis and grape. The subcellular localization of the majority of the transporters was predicted to be in the plasma membrane. Furthermore, the microarray expression analysis of MFSS transporters from Arabidopsis and grapes revealed their multi-tissue-specificity and differential regulation under biotic and abiotic stress conditions. Studies of the transmembrane topology highlighted the presence of central cytoplasmic loop along with family specific topological variations that were evident from phylogenetic analysis. Overall, this study adds to the knowledge of functional and structural diversity and evolution of MFSS transporters in plants and opens the scope for detailed physiological and functional studies on these proteins.}, doi = {10.1016/j.plgene.2019.100179}, author = {Patil, Sucheta S. and Prashant, Ramya and Kadoo, Narendra Y. and Upadhyay, Anuradha and Gupta, Vidya S.} } @article {46229, title = {Glycation of glucose sensitive lysine residues K36, K438 and K549 of albumin is associated with prediabetes}, journal = {Journal of Proteomics}, year = {2019}, month = {AUG}, type = {Article}, abstract = {
Prediabetes is a risk factor for the development of diabetes. Early diagnosis of prediabetes may prevent the onset and progression of diabetes and its associated complications. Therefore, this study aimed at the identification of novel markers for efficient prediction of prediabetes. In this pursuit, we have evaluated the ability of glycated peptides of albumin in predicting prediabetes. Glycated peptides of in vitro glycated albumin were characterized by data dependent acquisition and parallel reaction monitoring using LC-HRMS. Amongst 14 glycated peptides characterized in vitro, four peptides, particularly, FK(CML)DLGEENFK, K(AML)VPQVSTPTLVEVSR, K(CML)VPQVSTPTLVEVSR, and K(AML)QTALVELVK, corresponding to 3 glucose sensitive lysine residues K36, K438, and K549, respectively showed significantly higher abundance in prediabetes than control. Additionally, the abundance of three of these peptides, namely K(AML)QTALVELVK, K(CML)VPQVSTPTLVEVSR and FK(CML)DLGEENFK was \>1.8-fold in prediabetes, which was significantly higher than the differences observed for FBG, PPG, and HbA1c. Further, the four glycated peptides showed a significant correlation with FBG, PPG, HbA1c, triglycerides, VLDL, and HDL. This study supports that glycated peptides of glucose sensitive lysine residues K36, K438 and K549 of albumin could be potentially useful markers for prediction of prediabetes. SIGNIFICANCE: Undiagnosed prediabetes may lead to diabetes and associated complications. This study reports targeted quantification of four glycated peptides particulary FK(CML)DLGEENFK, K(AML)VPQVSTPTLVEVSR, K(CML)VPQVSTPTLVEVSR, and K(AML)QTALVELVK, corresponding to 3 glucose sensitive lysine residues K36, K438 and K549 respectively by parallel reaction monitoring in healthy and prediabetic subjects. These peptides showed significantly higher abundance in prediabetes than healthy subjects, and showed significant correlation with various clinical parameters including FBG, PPG, HbA1c, and altered lipid profile. Therefore, together these four peptides constitute a panel of markers that can be useful for prediction of prediabetes.
}, doi = {10.1016/j.jprot.2019.103481}, author = {Rathore, R. and Sonwane, B. P. and Jagadeeshaprasad, M. G. and Kahar, S. and Santhakumari, B. and Unnikrishnan, A. G. and Kulkarni, Mahesh J.} } @article {46048, title = {Glycerol acetylation considering competing dimerization}, journal = {International Journal of Chemical Kinetics}, volume = {51}, year = {2019}, month = {AUG}, pages = {634-640}, type = {Editorial Material}, abstract = {
Glycerol acetylation is a very interesting reaction for studies of consecutive kinetics. In this short communication, we present a pseudo-homogeneous model for the synthesis of triacetyl glycerol from the reaction of glycerol and acetic acid over strongly acidic Amberlyst-15 and Amberlyst-70 catalysts, considering a dimerization of diacetyl glycerol (DAG) into diglycerol tetraacetate as a parallel reaction and compare the results with a model without side reactions. The best fits were obtained for apparent zeroth-order dimerization and first-order consecutive reactions in the presence of acetic acid in excess and with removal of water. An adaptation was made for DAG. The proposed model shows that the formation of DAG is faster than the consumption of glycerol, which could be an explanation for the occurrence of DAG dimerization instead of other parallel reactions in acetylation.
}, keywords = {apparent kinetics, diacetyl glycerol dimerization, glycerol acetylation}, issn = {0538-8066}, doi = {10.1002/kin.21282}, author = {Soares, Andre V. -H. and Kale, Sumeet S. and Armbruster, Udo and Passos, Fabio B. and Umbarkar, Shubhangi B. and Dongare, Mohan K. and Martin, Andreas} } @article {46430, title = {Glycine-induced electrodeposition of nanostructured cobalt hydroxide: a bifunctional catalyst for overall water splitting}, journal = {ChemSusChem}, year = {2019}, month = {NOV}, type = {Article; Early Access}, abstract = {
Herein, an interconnected alpha-Co(OH)(2) structure with a network-like architecture was used as a bifunctional electrocatalyst for the overall water splitting reaction in alkaline medium. The complexing ability of glycine with a transition metal was exploited to form [Co(gly)(3)](-) dispersion at pH 10, which was used for the electrodeposition. High-resolution TEM, UV/Vis-diffuse reflectance spectroscopy, and X-ray photoelectron spectroscopy were used to confirm that the as-synthesized materials had an alpha-Co(OH)(2) phase. The electrocatalytic oxygen and hydrogen evolution activity of the glycine-coordinated alpha-Co(OH)(2) was found to be approximately 320 and 145 mV, respectively, at 10 mA cm(-2). The material required approximately 1.60 V (vs. reversible hydrogen electrode; RHE) to achieve the benchmark of 10 mA cm(-2) for overall water splitting with a mass activity of approximately 63.7 A g(-1) at 1.60 V (vs. RHE). The chronoamperometric response was measured to evidence the stability of the material for overall water splitting for up to 24 h. Characterization of the catalyst after the oxygen and hydrogen evolution reactions was performed by XPS and showed the presence of a Co-II/Co-III oxidation state.
}, keywords = {cobalt, Electrochemistry, heterogeneous catalysis, Hydrogen, water splitting}, issn = {1864-5631}, doi = {10.1002/cssc.201902323}, author = {Shilpa, Nagaraju and Nadeema, Ayasha and Kurungot, Sreekumar} } @article {45518, title = {Gold-catalyzed 1,2-oxyalkynylation of N-Allenamides with ethylnylbenziodoxolones}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {JAN}, pages = {180-184}, type = {Article}, abstract = {
A gold-catalyzed 1,2-oxyalkynylation of N-allenamides with ethylnylbenziodoxolones (EBXs) has been achieved for the first time. The reaction, which follows a redox-neutral Au(I)/Au(III) catalytic pathway, was enabled in an attempt to exhaust the EBX reagents atom-economically by putting the nucleophilic carboxylate part of EBXs to appropriate use. This constitutes the first example for gold-catalyzed beta-alkynylation of N-allenamides to construct highly valuable 1,3-enynes. The potential of the sequence is further documented by some follow-up transformations.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b03651}, author = {Banerjee, Somsuvra and Senthilkumar, Beeran and Patil, Nitin T.} } @article {46282, title = {Gold-catalyzed cycloisomerization of pyridine-bridged 1,8-Diynes: An expedient access to luminescent cycl[3.2.2]azines}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {SEP}, pages = {7109-7113}, type = {Article}, abstract = {
Gold-catalyzed diyne cycloisomerizations involving carbene/alkyne metathesis have been the focal point of attention for the past few years as it offers great potential to build complex polycyclic architectures. However, the design of novel cycloisomerizations has been mostly limited to 1,5/1,6-diynes and has remained very challenging to apply for higher 1,n-diynes. Herein, we disclose an unprecedented cycloisomerization of pyridine-bridged 1,8-diynes involving carbene/alkyne metathesis to access luminescent cycl[3.2.2]azines.
}, doi = {10.1021/acs.orglett.9b02677}, author = {Chintawar, Chetan C. and Mane, Manoj V. and Tathe, Akash G. and Biswas, Suprakash and Patil, Nitin T.} } @article {45519, title = {Gold(I)-catalyzed hydroxy group assisted C(sp(2))-H alkylation of enaminones with diazo compounds to access 3-alkyl chromones}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {JAN }, pages = {335-339}, type = {Article}, abstract = {
A strategy for expedient synthesis of 3-substituted chromones from easily available o-hydroxyarylenaminones and diazo compounds has been developed. Carefully conducted experimental and computational studies led us to propose an uncommon mechanistic pathway involving the hydroxyl group assisted alkylation of enaminones with in situ generated gold carbenes.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b03989}, author = {Bagle, Pradip N. and Mane, Manoj V. and Sancheti, Shashank P. and Gade, Amol B. and Shaikh, Samir R. and Baik, Mu-Hyun and Patil, Nitin T.} } @article {46040, title = {Graphene nanosheets assisted carbon hollow cylinder for high-performance field emission applications}, journal = {Materials Research Express}, volume = {6}, year = {2019}, month = {SEP}, pages = {095066}, type = {Article}, abstract = {
Electron sources are critical constituents for myriad many electronic applications including electron imaging, mass spectroscopy etc. Here, we report the realization of high-performance field emission from graphene assisted carbon hollow cylinders (Gr-CHCs) composed of multi-stacked radially aligned CNTs. These CHCs have built-in synthesis related Fe nanoparticles (NPs). This engineered nano-structure exhibits excellent field emission properties such as one of the ultra-low turn-on field (0.64V mu m(-1) at 10 mu A cm(-2)), low threshold field (0.74V mu m(-1) at 100 mu A cm(-2)), very high current density (15.49 mA cm(-2) at 1.32V mu m(-1)) which is nearly double the current density obtained in our previous study. High field enhancement factor (0.72. x. 10(4)) with highly stable emission current at 100 mu A was observed for more than 3 hrs at the base pressure of similar to 1. x. 10(-8) mbar. This study suggests an approach to enhance the current density using the proposed innovative nanostructure and forms the basic theme of this communication. Highly efficient and stable field emissions observed are attributed to the geometry of cylinder and the production of the high density of sharp protrusions within the graphene sheets which enhance the local electric field and dramatically enhance field emission. This innovative cylindrical geometry associated with graphene assisted on Fe bearing aligned CNTs along with the periphery of the bulk cylinder provides an easy injection of electrons from the conduction band of CHCs into the vacuum in the presence of an external electric field. The tunability of field emission properties of these CHCs can be easily achieved by tailoring their diameter (10 and 20 mm) and different concentrations of the precursor. This new approach of the graphene assisted cylindrical geometry-based field emitter source provides enormous prospects and demand for next-generation high resolutions display devices.
}, keywords = {Carbon nanotubes, field emission, graphene assisted carbon hollow cylinder, protrusions}, issn = {2053-1591}, doi = {10.1088/2053-1591/ab3030}, author = {Tripathi, Prashant and Gupta, Bipin Kumar and Bankar, Prashant K. and More, Mahendra A. and Late, Dattatray J. and Srivastava, Onkar Nath} } @article {47171, title = {Graphene oxide supported liposomes as red emissive theranostics for phototriggered tissue visualization and tumor regression}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {JUL}, pages = {3312{\textendash}3320}, abstract = {
Selective tissue visualization and localized tumor regression without affecting the surrounding healthy tissues are critical concerns in cancer nanomedicine. Importantly, the complete wrapping of a flimsy matrix like liposome by multifunctional graphene oxide is an interesting engineering idea for nanomedicine design. Moreover, designing a safe and biodegradable nanohybrid with significant theranostic ability is a current need for targeted combined therapies. Here, we report a comprehensive result of in vivo tumor diagnosis and phototriggered tumor regression using a biodegradable red emissive nanotheranostic system, viz., graphene oxide flakes fortified liposome (GOF-Lipo), functionalized with folic acid (FA): GOF-Lipo-FA. Graphene oxide support enhances the stability of drug-loaded liposomes in an extracellular environment that prevents the premature release of loaded anticancer drug from the liposomal cavity. Promising outcomes of tumor regression (\~{}300 to 25 mm3) from organized cellular and animal studies are demonstrated in this work. These studies reveal superior biocompatibility, deep intracellular localization, 4T1 breast tumor diagnosis, and long time tumor binding ability of an injected emissive nanohybrid. Overall, a single dose of designed multifunctional systems demonstrates the best tumor regression.
}, doi = {10.1021/acsabm.9b00335}, author = {Prasad, Rajendra and Yadav, Amit S. and Gorain, Mahadeo and Chauhan, Deepak S. and Kundu, Gopal C. and Srivastava, Rohit and Selvaraj, Kaliaperumal} } @article {46179, title = {Graphene-modified electrodes for sensing doxorubicin hydrochloride in human plasma}, journal = {Analytical and Bioanalytical Chemistry}, volume = {411}, year = {2019}, month = {MAR}, pages = {1509-1516}, type = {Article}, abstract = {
Doxorubicin (DOX), an anthracycline molecule, is currently one of the most widely used anticancer drugs in clinics. Systematic treatment of patients with DOX is known to be accompanied by several unpleasant side effects due to the toxicity of the drug. Thus, monitoring of DOX concentration in serum samples has become increasingly important to avoid side effects and ensure therapeutic efficiency. In this study, we discuss the construction of a disposable electrochemical sensor for the direct monitoring of DOX in clinical blood samples. The sensor is based on coating a gold electrode in a flexible integrated electrode construct formed on polyimide sheets using photolithography, with nitrogen-doped reduced graphene oxide (N-rGO) suspended in chitosan. Under optimized conditions, a linear relationship between the oxidative peak current and the concentration of DOX in the range of 0.010-15M with a detection limit of 10nM could be achieved. The sensor was adapted to monitor DOX in serum samples of patients under anticancer treatment.
}, keywords = {Disposable electrodes, doxorubicin, Nitrogen-doped reduced graphene oxide, Serum}, issn = {1618-2642}, doi = {10.1007/s00216-019-01611-w}, author = {Chekin, Fereshteh and Myshin, Vladyslav and Ye, Ran and Melinte, Sorin and Singh, Santosh K. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {46328, title = {Hemiketal-keto tautomerism in 2-deoxy-delta-lactones mediated by 2-lithiothiazole in solution state: a formal synthesis of DAH, Kamusol and their C-5 Epimers}, journal = {Asian Journal of Organic Chemistry}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {
The reactions of 2-lithiothiazole on 3,4,6-tri-O-benzyl-2-deoxyglyconolactones have been studied, which resulted in the formation of two products, major (3,4,6-tri-O-benzyl-2-deoxy-1-(2-thiazolyl) glycal) and minor products 3,4,6-tri-O-benzyl-2-deoxy-1-(2-thiazolyl) glycal hemiketal. The hemiketal-keto tautomerism in solution was observed in the minor product. The tautomerism has been studied in various organic solvents and their ratios have been determined by H-1 NMR spectroscopy. The major product from the reaction of 2-lithiothiazole with 2-deoxygluconolactone was utilized for the synthesis of 3-deoxy-D-arabino-2-heptulosonic acid DAH 4 a and 3-deoxy-D-arabino-2-heptulopyranose commonly known natural product kamusol 6 a via acid catalyzed hydration followed by stereoselective methyl glycoside bond formation. Similarly, major product from 2-deoxygalactonolactone furnished 5-epi-DAH 4 b (C-5 epimer of 4 a) and 5-epi-kamusol 6 b (C-5 epimer of 6 a). The minor product has also been utilized for the synthesis of DAH 4 a, 5-epi-DAH 4 b, kamusol 6 a and 5-epi-kamusol 6 b through a common intermediate, alpha-methyl glycosylated product.
}, keywords = {hemiketals, Ketones, tautomerism, thiazoles, umpolung}, issn = {2193-5807}, doi = {10.1002/ajoc.201900407}, author = {Chand, Hemender R. and Bhattacharya, Asish K.} } @article {46285, title = {Hepatoprotective cocrystals of isoniazid: synthesis, solid state characterization, and hepatotoxicity studies}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {SEP}, pages = {5161-5172}, type = {Article}, abstract = {
Isoniazid (INH) is one of the first line drugs used in combination with pyrazinamide and rifampicin for the management of tuberculosis. Idiosyncratic hepatotoxicity is one of the most common side effects of antitubercular therapy worldwide. The current study explores solid phase modification of INH by cocrystallization with various hepatoprotective coformers, namely chrysin, hesperetin, silibinin, syringic acid (SYRA), and quercetin (QUE) to address hepatotoxicity concerns. Cocrystals were obtained with SYRA and QUE. Supramolecular synthons based on pyridine-carboxyl and pyridine-hydroxyl synthon enabled the formation of cocrystals. INHSYRA and INHQUE cocrystals were characterized by FT-IR, DSC, and PXRD. Single crystal X-ray analysis of INHSYRA revealed that it crystallized in triclinic system with the P (1) over bar space group. Intrinsic dissolution rate studies (IDR) showed slow drug release from both the cocrystals. Hepatoprotective effects of INHSYRA and INHQUE cocrystals were evaluated by a single toxic dose study and a subchronic study for 28 days. Results from the subchronic study indicated significant increase in ALT, AST, and ALP enzyme levels in the INH-treated group whereas the enzyme levels in INHSYRA and INHQUE cocrystal treated group were comparable to that of the untreated group. This study demonstrates the in vivo hepatoprotective effects of coformers SYRA and QUE provide promising evidence for utility of nutraceutical based coformers, to tackle hepatotoxicity associated with various drugs.
}, doi = {10.1021/acs.cgd.9b00541}, author = {Yadav, Balvant and Gunnam, Anilkumar and Thipparaboina, Rajesh and Nangia, Ashwini K. and Shastri, Nalini R.} } @article {46271, title = {Heteropolyacids supported on mesoporous AlSBA-15 as efficient catalysts for esterification of levulinic acid}, journal = {Journal of Porous Materials}, volume = {26}, year = {2019}, month = {OCT}, pages = {1335-1343}, type = {Article}, abstract = {
A comparative study of different heteropoly acids supported on mesoporous AlSBA-15 for the synthesis of ethyl levulinate has been undertaken for the first time. The catalysts were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, inductively coupled plasma-optical emission spectrometry, thermo gravimetric analysis, temperature programmed desorption of NH3 and N-2 sorption studies. Insights into crucial parameters for the esterification reactions are also furnished. A distinct correlation was observed between acid density and conversion revealing that the distribution of acidic sites and their accessibility by the reactant moieties plays an important role in determining the overall activity. The effects of various reaction parameters were investigated to enhance the catalytic activity and yield of ethyl levulinate. Under the optimized conditions, levulinic acid conversion of 87.4 mol\% and ethyl levulinate selectivity of 100\% could be obtained with silicotungstic acid supported on AlSBA-15.
}, doi = {10.1007/s10934-019-00734-w}, author = {Lucas, Nishita and Gurrala, L. and Athawale, Anjali} } @article {45567, title = {Hierarchical K/LTL zeolite as solid base for aqueous phase hydrogenation of xylose to xylitol}, journal = {Microporous and Mesoporous Materials }, volume = {278}, year = {2019}, month = {APR}, pages = {70-80}, type = {Article}, abstract = {Post-synthesis modification by alkali treatment was employed for the synthesis of hierarchical K/LTL zeolites with varying degree of mesoporosity. For the alkali treatment, the concentration of aqueous KOH solution was changed from 0.3 to 2.8 M keeping the quantity per gram of zeolite fixed. The influence of the alkali concentration on the chemical composition, powder XRD crystallinity, morphology, basicity, and the textural properties of resultant hierarchical zeolites was investigated. Variation in the concentration of KOH solution was found to control the degree of preferential desilication with the preserved structural fingerprint of K/LTL zeolite. As a result, the generation of mesoporosity was observed along with 1) the decrease in the Si/Al ratio and percentage relative crystallinity, and 2) an increase in BET surface area and mesopore volume. 27Al MAS-NMR results showed that all the aluminum atoms present in the tetrahedral coordination after alkali treatment, which provides an elegant approach for significantly increasing the basic sites in the hierarchical zeolites. As a heterogeneous catalyst, the hierarchical K/LTL zeolites demonstrated the improved performance in the hydrogenation of xylose to xylitol as compared to the parent K/LTL zeolite. The different process parameters were assessed in order to maximize the hydrogenation activity. Among all the hierarchical zeolites, the enhanced catalytic activity was shown by the hierarchical K/LTL prepared by using 1.5 M KOH solution when it is used along with the 3.5 wt\% platinum loaded γ-Al2O3 catalyst. This optimum activity may be attributed to the higher surface area, accessible basic sites, nano-sized Pt on γ-Al2O3, and the development of substantial intracrystalline mesoporosity for the enhanced molecular diffusion of reactant to and from the hierarchical zeolite with better-preserved crystallinity.}, doi = {10.1016/j.micromeso.2018.11.017}, author = {Tangale N. P. and Niphadkar, P. S. and Joshi, P. N. and Dhepe, P. L.} } @article {46284, title = {High content screening assay for identifying inhibitors against active and dormant state intracellular Mycobacterium tuberculosis}, journal = {Journal of Microbiological Methods}, volume = {164}, year = {2019}, month = {SEP}, type = {Article}, abstract = {
The antitubercular drug development pipeline could start with an in vitro investigation of several compounds to examine their effect on active and dormant state Mycobacterium tuberculosis (Mtb). However, in vitro screening of dormant state bacilli cannot provide enough information on the simultaneous effect of a compound on the host. Therefore, we developed a live cell fluorescence based screening protocol by utilizing the high content system for determining the effect of inhibitors against active and dormant state intracellular mycobacteria. THP-1 macrophages infected with an actively growing and hypoxia derived dormant Mtb culture were standardized to develop the screening protocol. The signal to noise ratio and the Z{\textquoteright} factor of this assay were found to be 7.5-29 and 0.6-0.8, respectively, which confirm the robustness of the protocol. The protocol was then validated with standard inhibitors. This newly developed drug screening assay offers an easy, safe, image based high content screening tool to search for novel antitubercular inhibitors against both active and dormant state intracellular mycobacteria. Therefore, this assay could fill in the gap between in vitro and in vivo latent tuberculosis drug screening programs.
}, doi = {10.1016/j.mimet.2019.105687}, author = {Yeware, Amar and Agrawal, Sonia and Sarkar, Dhiman} } @article {46101, title = {High-energy flexible supercapacitor-synergistic effects of polyhydroquinone and RuO2 center dot xH(2)O with microsized, few-layered, self-supportive exfoliated-graphite sheets}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {MAY }, pages = {18349-18360}, type = {Article}, abstract = {
An effective and straightforward route for tailoring the self-supporting, exfoliated flexible graphite substrate (E-FGS) using electrochemical anodization is proposed. E-FGS has essential features of highly exfoliated, few-layered, two-dimensional graphite sheets with the size of several tens of micrometers, interconnected along the axis of the substrate surface. The novel hierarchical porous structural morphology of E-FGS enables large active sites for efficient electrolyte ion and charge transport when used as electrode material for a supercapacitor. In order to effectively utilize this promising E-FGS electrode for energy storage purpose, a ternary composite is further synthesized with pseudocapacitive polyhydroquinone (PHQ) and hydrous RuO2 (hRO). hRO is synthesized via a sol-gel route, while electropolymerization is utilized for the electrodeposition of PHQ over E-FGS. Ultimately, the fabricated self-supporting E-FGS-based flexible supercapacitor is capable of delivering areal specific capacitance values as high as 378 mF cm(-2) at a current density of 1 mA cm(-2). Addition of the pseudocapacitive component to the E-FGS texture leads to similar to 10 times increase of the electrochemical charge storage capability. The imposition of mechanical forces to this flexible supercapacitor device results in trivial changes in electrochemical properties and is still capable of retaining 91\% of the initial specific capacitance after 10 000 cycles. Alongside, the fabricated symmetrical solid-state flexible device exhibited a high energy density of 8.4 mu Wh cm(-2). The excellent performance along with the ease of synthesis and fabrication process of the flexible solid-state supercapacitor device using PHQ/hRO/E-FGS holds promise for large-scale production.
}, keywords = {graphite exfoliation, polyhydroquinone, ruthenium oxide, solid-state flexible supercapacitor, Ternary Composite}, issn = {1944-8244}, doi = {10.1021/acsami.9b01712}, author = {Muniraj, Vedi Kuyil Azhagan and Dwivedi, Pravin Kumari and Tamhane, Parikshit Shivaji and Szunerits, Sabine and Boukherroub, Rabah and Shelke, Manjusha Vilas} } @article {46018, title = {Highly efficient Pt-MoOx/ZrO2 catalyst for green diesel production}, journal = {Catalysis Communications}, volume = {125}, year = {2019}, month = {MAY}, pages = {70-76}, type = {Article}, abstract = {
Bimetallic Pt-MoOx supported on ZrO2 exhibits higher catalytic activity than known catalysts for converting fatty acids into green diesel at as low as 200 degrees C. A change in selectivity from decarboxylation/decarbonylation to hydrodeoxygenation and enhancement in the deoxygenation activity of Pt were observed when MoOx was also present in the catalyst composition. In X-ray photoelectron spectra, Pt 4f lines of 4Pt-8MoO(x)/ZrO2 occurred at lower binding energies than those for 4Pt/ZrO2. Part of Mo was reduced from +6 to +5 oxidation state in the presence of Pt. There seems to exist some electronic interaction between the support and metal, making 4Pt-8MoO(x)/ZrO2 a highly efficient and selective deoxygenation catalyst.
}, keywords = {Bimetallic catalyst, Biofuel, Deoxygenation of fatty acids, Green Diesel, Hydrocarbons, Supported platinum catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2019.03.027}, author = {Janampelli, Sagar and Darbha, Srinivas} } @article {45619, title = {Highly efficient rhodium-phosphite catalyzed hydroformylation of camphene and other terpenes}, journal = {Asian Journal of Chemistry}, volume = {31}, year = {2019}, month = {JAN}, pages = {213-219}, type = {Article}, doi = {10.14233/ajchem.2019.21656}, author = {Pagar, N. S. and Deshpande, R. M.} } @article {47177, title = {Highly flexible mechanical energy harvester based on nylon 11 ferroelectric nanocomposites}, journal = {ACS Applied Polymer Materials}, volume = {1}, year = {2019}, month = {JUL}, pages = {1998{\textendash}2005}, type = {Article}, abstract = {
We report here a flexible piezoelectric energy harvester using castor-oil-derived nylon 11 and biomass-derived cellulose nanocrystals (CNC). Using a simple solution casting process, we were able to fabricate flexible large area nylon 11 and composite films. Neat nylon 11 films crystallized predominantly in the α- phase. Incorporation of CNC at a low concentration of 2{\textendash}5 wt \% resulted in almost complete transition of α-phase to polar γ-phase, which could be attributed to strong hydrogen bonding interactions between CNC and amide groups in nylon 11. This remarkable shift in crystallization behavior also led to enhanced piezoelectric performance. We also found that the addition of 5 wt \% glycerol (on the dry weight of nylon 11 or composite) enhanced the flexibility of the film. Energy harvesting devices made from 5 wt \% nylon 11/CNC films showed about 2.6 times higher output voltage as compared to neat nylon 11 devices under similar impact conditions, and the effect was durable over 800 cycles. These devices were also used to charge a 10 μF polarized capacitor, and we found that the 5 wt \% nylon 11/CNC devices charged up to 3.78 V in 90 s, which is 2.8 times higher than nylon 11 devices. To the best of our knowledge, this is the first report on nylon 11 nanocomposites, where cellulose nanocrystals have been used to enhance the electroactive γ phase in nylon 11 and yield such high piezoelectric performance.
}, author = {Ram, Farsa and Radhakrishnan, Sithara and Ambone, Tushar and Shanmuganathan, Kadhiravan} } @article {45622, title = {Highly frustrated liquid crystal phases in optically active dimers: synthesis and rich phase transitional behavior}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {JAN}, pages = {2148-2162 }, type = {Article}, abstract = {Herein we report on the synthesis and characterization of four new series of optically active, nonsymmetric dimers in which cholesterol is covalently linked to a Schiff base core through an ω-oxyalkanoyl spacer. While the Schiff base core is substituted with n-butyloxy, n-hexyloxy, n-octyloxy, n-decyloxy and n-dodecyloxy tails, three even-parity spacers, namely, 4-oxybutanoyl, 6-oxyhexanoyl, 8-oxyoctanoyl, and an odd-parity spacer, namely, 5-oxypentanoyl, have been used to join the two cores. The experimental results show that the length and parity of the spacer and the length of the terminal tail play a vital role in deciding the phase sequences of the dimers. In general, the dimers possessing an even-parity spacer display enantiotropic LC phases such as chiral nematic (N*), twist grain boundary (TGB), smectic A (SmA), chiral smectic C (SmC*) and twist grain boundary phase with SmC* slabs (TGBC*). Some of these dimers display TGBC* over a wide temperature range. The dimers with an odd-parity (5-oxypentanoyl) spacer display, unlike their even-membered counterparts, blue phases (BPIII/II/I); besides, they stabilize N* and/or unknown smectic (SmX) phases. The circular dichroism (CD) measurements were carried out as a function of temperature on the planar texture formed by three even-membered dimers and an odd-membered dimer. The occurrence of a strong negative CD band in the N* phase of the even-membered dimers suggests a left-handed screw sense of the macroscopic helical structure, and the scenario is opposite in the case of an odd-membered dimer.}, doi = {10.1039/C8NJ03520B}, author = {Nayak, R. A. and Bhat, S. A. and Shanker, G. and Rao, D. S. S. and Yelamaggad, C. V.} } @article {46177, title = {High-performing PGM-free AEMFC cathodes from carbon-supported cobalt ferrite nanoparticles}, journal = {Catalysts}, volume = {9}, year = {2019}, month = {MAR}, pages = {264}, type = {Article}, abstract = {
Efficient and durable non-precious metal electrocatalysts for the oxygen reduction reaction (ORR) are highly desirable for several electrochemical devices, including anion exchange membrane fuel cells (AEMFCs). Here, cobalt ferrite (CF) nanoparticles supported on Vulcan XC-72 carbon (CF-VC) were created through a facile, scalable solvothermal method. The nano-sized CF particles were spherical with a narrow particle size distribution. The CF-VC catalyst showed good ORR activity, possessing a half-wave potential of 0.71 V. Although the intrinsic activity of the CF-VC catalyst was not as high as some other platinum group metal (PGM)-free catalysts in the literature, where this catalyst really shined was in operating AEMFCs. When used as the cathode in a single cell 5 cm(-2) AEMFC, the CF-VC containing electrode was able to achieve a peak power density of 1350 mW cm(-2) (iR-corrected: 1660 mW cm(-2)) and a mass transport limited current density of more than 4 A cm(-2) operating on H-2/O-2. Operating on H-2/Air (CO2-free), the same cathode was able to achieve a peak power density of 670 mW cm(-2) (iR-corrected: 730 mW cm(-2)) and a mass transport limited current density of more than 2 A cm(-2). These peak power and achievable current densities are among the highest reported values in the literature to date.
}, keywords = {AEMFC, cobalt, Ferrite, high-performing, non-PGM, vulcan}, issn = {2073-4344}, doi = {10.3390/catal9030264}, author = {Peng, Xiong and Kashyap, Varchaswal and Ng, Benjamin and Kurungot, Sreekumar and Wang, Lianqin and Varcoe, John R. and Mustain, William E.} } @article {46286, title = {High-solubility salts of the multiple sclerosis drug teriflunomide}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {SEP}, pages = { 5407-5417}, type = {Article}, abstract = {
Teriflunomide (TFM) is an immunomodulatory prodrug of leflunomide which is used for the treatment of multiple sclerosis (MS). It is a Biopharmaceutics Classification System Class (BCS) II drug with low solubility and high permeability. The X-ray crystal structure of TFM is stabilized by O-H center dot center dot center dot O, C-H center dot center dot center dot O, C-H center dot center dot center dot N, and N-H center dot center dot center dot N interactions. In order to study the solubility and dissolution changes of this drug, five multicomponent crystal forms were prepared with amine and amide generally regarded as safe (GRAS) coformers to improve the physicochemical properties such as solubility, dissolution, diffusion, and phase stability. Equimolar TFM-coformer 1:1 salts were crystallized, except for cytosine which afforded a salt cocrystal toluene solvate TFM-CYT-TOL in a 1:2:1 ratio. The multicomponent forms were crystallized by slow solvent evaporation and characterized by single crystal X-ray diffraction. TFM and coformer are bonded by N+-H center dot center dot center dot O-, N-H center dot center dot center dot O, O-H center dot center dot center dot O, C-H center dot center dot center dot O, C-H center dot center dot center dot N, N-H center dot center dot center dot N, and C-H center dot center dot center dot F interactions. The bulk phase purity of the salts was characterized by powder X-ray diffraction and infrared and thermal techniques. Solubility, dissolution, and diffusion experiments in pH 7.0 buffer exhibited a significant improvement compared to the reference drug. The morphology and particle size of salts by field emission scanning electron microscopy were related to dissolution behavior. The highest solubility, dissolution, and diffusion profile were observed for TFM-MEA and TFM-TEA salts (monoethanol amine and triethanol amine).
}, doi = {10.1021/acs.cgd.9b00914}, author = {Gunnam, Anilkumar and Nangia, Ashwini K.} } @article {46441, title = {Hydrocarbon chain-length dependence of solvation dynamics in alcohol-based deep eutectic solvents: a two-dimensional infrared spectroscopic investigation}, journal = {Journal of Physical Chemistry B}, volume = {123}, year = {2019}, month = {NOV}, pages = {9355-9363}, type = {Article}, abstract = {
Deep eutectic solvents (DESs) have gained popularity in recent years as an environmentally benign, inexpensive alternative to organic solvents for diverse applications in chemistry and biology. Among them, alcohol-based DESs serve as useful media in various applications due to their significantly low viscosity as compared to other DESs. Despite their importance as media, little is known how their solvation dynamics change as a function of the hydrocarbon chain length of the alcohol constituent. In order to obtain insights into the chain-length dependence of the solvation dynamics, we have performed two-dimensional infrared spectroscopy on three alcohol-based DESs by systematically varying the hydrocarbon chain length. The results reveal that the solvent dynamics slows down monotonically with an increase in the chain length. This increase in the dynamic timescales also shows a strong correlation with the concomitant increase in the viscosity of DESs. In addition, we have performed molecular dynamics simulations to compare with the experimental results, thereby testing the capacity of simulations to determine the amplitudes and timescales of the structural fluctuations on fast timescales under thermal equilibrium conditions.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.9b08954}, author = {Chatterjee, Srijan and Ghosh, Deborin and Haldar, Tapas and Deb, Pranab and Sakpal, Sushil S. and Deshmukh, Samadhan H. and Kashid, Somnath M. and Bagchi, Sayan} } @article {46011, title = {Hydrodeoxygenation of vegetable oils and fatty acids over different group VIII metal catalysts for producing biofuels}, journal = {Catalysis Surveys From Asia}, volume = {23}, year = {2019}, month = {JUN}, pages = {90-101}, type = {Article}, abstract = {
Energy security and environment protection are two important aspects of sustainable development. Biofuels are renewable and carbon neutral. They are suitable replacement for conventional fossil derived transport fuels. Their use leads to sustainable development. Among several technological options, catalytic hydrodeoxygenation of vegetable oils leading to diesel-range hydrocarbons is the most attractive approach for producing biofuels. The green diesel, thus produced, could be blended with petro-diesel or used as standalone fuel in the conventional diesel engines. Our research group has been active in developing efficient solid catalysts for hydroprocessing of vegetable oils. This account presents some of our efforts using supported group VIII metals and the importance of electronic contact between metal and support on the catalytic activity and hydrodeoxygenation selectivity in hydroprocessing of vegetable oils.
}, keywords = {biofuels, Catalysis over group VIII metals, Deoxygenation, Hydroprocessing, Renewable diesel}, issn = {1571-1013}, doi = {10.1007/s10563-019-09266-4}, author = {Janampelli, Sagar and Darbha, Srinivas} } @article {46060, title = {Hydrodynamic cavitation using vortex diode: an efficient approach for elimination of pathogenic bacteria from water}, journal = {Journal of Environmental Management}, volume = {242}, year = {2019}, month = {JUL }, pages = {210-219}, type = {Article}, abstract = {
The present study successfully demonstrates greener methodology of hydrodynamic cavitation using rotational flows for disinfection of water. Disinfection of two model microbial strains-gram-negative (Escherichia colt) and gram-positive (Staphylococcus aureus) using vortex diode was evaluated. The removal efficacy was quantified for two different cavitation reactors. Practically complete elimination of E. coli was achieved (99\%) after 1 h of cavitation at a pressure drop of only 0.5 bar. However, elimination of S. aureus using vortex diode was observed to be lower in comparison to the removal of E. coli and only 60\% disinfection could be achieved under similar conditions, which can be subsequently enhanced up to 98\% by increasing pressure drop. The results were compared with another cavitating device that employs linear flow for cavitation, orifice. The reactor geometry has significant impact on the disinfection process and orifice was found to require significantly higher pressure drop (10 bar) conditions for disinfection and for eliminating grain-positive bacteria with high efficiency. A plausible mechanism for disinfection was proposed to elucidate the role of cavitation in cell destruction leading to death of cells through the rupture of cell wall, oxidative damage and possible DNA denaturation. Also, a cavitation model using per pass disinfection was developed that can provide meaningful physical description of the disinfection process as against the conventional first order reaction rate model. This study would provide meaningful insight into cavitation process based on hydrodynamic cavitation for the destruction of both gram-negative and gram-positive bacteria from various water sources, including industrial wastewaters.
}, keywords = {Cavitation, Disinfection, kinetics, pollution, Wastewater treatment}, issn = {0301-4797}, doi = {10.1016/j.jenvman.2019.04.057}, author = {Jain, Pooja and Bhandari, Vinay M. and Balapure, Kshama and Jena, Jyotsnarani and Ranade, Vivek V. and Killedar, Deepak J.} } @article {46414, title = {Hydrodynamics and selectivity engineering of a multipoint dosing flow reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {58}, year = {2019}, month = {DEC}, pages = {22874}, type = {Article}, chapter = {22866}, abstract = {
This paper reports the suitability of a multipoint injection continuous flow reactor for carrying out a sequential reaction, while taking into account the associated hydrodynamics of such systems. Pressure drop was measured for different fluid injection patterns, viz., equal fluid dosing, decreasing dosing, and increasing dosing flow rates from the first to the last inlet. Moreover, residence time distribution was also explored. The data were compared with a conventional single-point injection. The extent of dispersion was found to be higher in the decreasing dosing profile compared to equally distributed dosing. Taking into account of these features, the suitability of such a reactor system for competitive-consecutive homogeneous nitration reaction was evaluated. The analysis was done on the basis of the Damkohler number (Da) for mixing and reaction. The rate-controlling phenomena were used to simulate the performance of the reactor for a range of a number of inlets, the mole ratio of reactants, and relative values of Da. The observations indicate that the multipoint injection is not beneficial for mixing controlled reactions. However, for reactions in the transient regime (i.e., 0.001 \< t(m)/t(R) \< 1000), it gives higher selectivity of the desired product.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b04431}, author = {Shukla, Chinmay A. and Pal, Sayan and Kulkarni, Amol A.} } @article {46341, title = {Hydrogen bond assisted photoinduced intramolecular electron transfer and proton coupled electron transfer in an ultrafast time domain using a ruthenium-anthraquinone dyad}, journal = {Photochemical \& Photobiological Sciences}, volume = {18}, year = {2019}, month = {OCT }, pages = {2430-2441}, type = {Article}, abstract = {
Quinones play a significant role as primary electron acceptors in the natural photosynthetic system of photosystem II, and their reduction is known to be facilitated by hydrogen-bond donors or protonation. In this study, a ruthenium(ii) polypyridyl complex 1 coupled to an anthraquinone (AQ) functionality through a rigid imidazole (Im) spacer has been synthesized to examine the effect of H-bonding on both the thermal and photoinduced electron transfer reactions. The anthraquinone moiety of complex 1 is fused to a benzi-imidazole system bearing C \& xe001;(OMIDLINE)-M-AQ HORIZONTAL ELLIPSISHNIm based H-bonding at one side of the anthraquinone moiety so that intramolecular hydrogen bonding from the imidazole group to the nearby quinone carbonyl can occur. The hydrogen bond formation involving the semiquinone radical anion produced through the photoinduced reduction process in Ru-im-AQ and the imidazole proton in complex 1 resulted in a significant positive shift of one electron reduction potential of complex 1. The kinetics for the formation of the charge-separated states was explored by using femtosecond transient absorption spectroscopy. Hydrogen bonding between water and the reduced anthraquinone accounted for thermodynamic and kinetic stabilization of these charge-separated states. An attempt has been made to assess the relative importance of the driving force and solvent polarity, in the rates of photoinduced electron transfer in complex 1. The 490 nm transient absorption band of anthraquinone radical anions (AQ(-)) and a broad absorption in the 580-750 nm region having maxima at similar to 690 nm have been observed and this is attributed to the generation of a transient Ru3+-species of the corresponding complex 1. Addition of water entails an acceleration of electron transfer rates by a factor of 3.33. The system investigated may serve as a model for the mechanistic diversity of PCET reactions in general with water as a primary proton donor. Furthermore, our studies are relevant for understanding proton-coupled electron transfer (PCET) reactivity of electronically excited states at a fundamental level because changes in hydrogen-bonding strength accompanying changes in redox states may be regarded as a variant form of PCET.
}, issn = {1474-905X}, doi = {10.1039/c9pp00135b}, author = {Dey, Ananta and Dana, Jayanta and Aute, Sunil and Das, Amitava and Ghosh, Hirendra N.} } @article {46160, title = {Hydrophobic WO3/SiO2 catalyst for the nitration of aromatics in liquid phase}, journal = {Applied Catalysis A-General}, volume = {574}, year = {2019}, month = {MAR}, pages = {105-113}, type = {Article}, abstract = {
WO3/SiO2 solid acid catalyst synthesized using sol gel method has shown promising activity (up to 65\% conversion) for aromatic nitration in liquid phase using commercial nitric acid (70\%) as nitrating agent without using any sulfuric acid. The water formed during the reaction as well as water from dilute nitric acid (70\%) was removed azeotropically, however due to the hydrophilic nature of the catalyst, some water gets strongly adsorbed on catalyst surface forming a barrier layer between catalyst and organics. This prevents effective adsorption of substrate on catalyst surface for its subsequent reaction. To improve the activity further, the hydrophilic/hydrophobic nature of the catalyst was altered by post modification by grafting with commercial short chain organosilane (Dynasylan 9896). The modified 20\% WO3/SiO2 catalyst when used for o-xylene nitration in liquid phase, showed significant increase in the conversion from 65\% to 80\% under identical reaction conditions. Catalyst characterization revealed decrease in the surface area of 20\% WO3/SiO2 from 356 m(2)/g to 302 m(2)/g after grafting with Dynasylan 9896. The fine dispersion of WO3 particles (2-5 run) on silica support was not affected due to modification. NMR and FTIR study revealed the decrease in surface hydroxyl groups imparting hydrophobicity to the catalyst. Interestingly the total acidic sites of the catalyst remained almost unaltered (0.54 mmol NH3/g) even after modification. Even though, the acidity and other characteristics of the catalyst did not change appreciably, there was a considerable increase in the o-xylene conversion which can be ascribed to the hydrophobic nature of the catalyst.
}, keywords = {Aromatic nitration, grafting, heterogeneous catalysis, Hydrophobic, Sol-gel synthesis}, issn = {0926-860X}, doi = {10.1016/j.apcata.2019.02.002}, author = {Kulal, A. B. and Kasabe, M. M. and Jadhav, P. V. and Dongare, M. K. and Umbarkar, S. B.} } @article {46004, title = {Hydrothermal growth and humidity-dependent electrical properties of molybdenum disulphide nanosheets}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {19}, year = {2019}, month = {AUG}, pages = {5158-5166}, type = {Article}, abstract = {
In present investigation, we report humidity dependent electrical properties of molybdenum disulphide (MoS2) nanosheets. MoS2 nanosheets were prepared through a facile hydrothermal method with different reaction temperatures. The as-synthesized MoS2 nanosheets were characterized with XRD, SEM, TEM, and Raman spectroscopy, which confirmed successful preparation and rationality. Further, the humidity dependent electrical properties against relative humidity (RH) of these samples were carried out at room temperature. The results evinced that the sensors film fabricated with MoS2 nanosheets prepared at temperature 220 degrees C exhibited better performance compared to the nanosheets synthesized at 180 degrees C and 200 degrees C temperature. The RH sensing results exhibits highly sensitive, ultrafast response/recovery behaviour and outstanding repeatability than reported earlier. The excellent humidity sensing properties of the resultant MoS2 nanosheets was proved to be an excellent candidate for constructing ultrahigh-performance humidity sensor toward various applications.
}, keywords = {Humidity sensors, Hydrothermal method, Molybdenum Disulphide, nanosheets}, issn = {1533-4880}, doi = {10.1166/jnn.2019.16828}, author = {Shelke, Nitin T. and Karle, S. C. and Karche, B. R.} } @article {46247, title = { Hydrothermal growth of MoSe2 nanoflowers for photo- and humidity sensor applications}, journal = {Sensors and Actuators A-Physical}, volume = {295}, year = {2019}, month = {AUG}, pages = {160-168}, type = {Article}, abstract = {
In the present investigation, we report the synthesis of molybdenum diselenide (MoSe2) nanoflowers by facile hydrothermal method for photo- and humidity sensor applications. The obtained samples were characterized thoroughly by x-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The XRD spectrum shows crystalline nature of the sample. Raman spectroscopy shows two prominent vibration modes of E-2 (g)1 and A(1g) at (2) over tilde 41 and (2) over tilde 83 cm(-1) respectively. The crystalline nature of the sample confirmed with the TEM. The MoSe2 nanoflowers based sensor shows high photosensitivity and good response to humidity with excellent prolong stability. The maximum photoresponsitivity of (1) over tilde 94\% along with response of (4) over tilde0 ms and recovery time of (4) over tilde8 ms were observed for the sample. In case of humidity sensor, response time of (5) over tilde3 s and recovery time of (1) over tilde3 s with maximum sensitivity -74\% were observed under humidity environments. It suggests that, MoSe2 nanoflowers appear as a potential candidate for constructing high-performance nanoelectronics devices. (C) 2019 Elsevier B.V. All rights reserved.
\
}, doi = {10.1016/j.sna.2019.05.045}, author = {Shelke, Nitin T. and Late, Dattatray J.} } @article {46348, title = {Imidazole-linked crystalline two-dimensional polymer with ultrahigh proton-conductivity}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {SEP}, pages = {14950-14954}, type = {Article}, abstract = {
Proton-exchange membrane fuel cells are promising energy devices for a sustainable future due to green features, high power density, and mild operating conditions. A facile proton-conducting membrane plays a pivotal role to boost the efficiency of fuel cells, and hence focused research in this area is highly desirable. Major issues associated with the successful example of Nafion resulted in the search for alternate proton conducting materials. Even though proton carrier loaded crystalline porous organic frameworks have been used for protonconduction, the weak host-guest interactions limited their practical use. Herein, we developed a crystalline 2D-polymer composed of benzimidazole units as the integral part, prepared by the condensation of aryl acid and diamine in polyphosphoric acid medium. The imidazole linked-2D-polymer exhibits ultrahigh proton conductivity (3.2 X 10(-2) S cm(-1)) (at 95\% relative humidity and 95 degrees C) in the pristine state, which is highest among the undoped porous organic frameworks so far reported. The present strategy of a crystalline proton-conducting 2D-polymer will lead to the development of new high performing crystalline solid proton conductor.
}, issn = {0002-7863}, doi = {10.1021/jacs.9b06080}, author = {Ranjeesh, Kayaramkodath Chandran and Ilathvalappil, Rajith and Veer, Sairam Dnyaneshwar and Peter, Joseph and Wakchaure, Vivek Chandrakant and Goudappagouda and Raj, K. Vipin and Kurungot, Sreekumar and Babu, Sukumaran Santhosh} } @article {46226, title = {Immobilization studies of Candida Antarctica lipase B on gallic acid resin-grafted magnetic iron oxide nanoparticles}, journal = {International Journal of nanomedicine}, volume = {14}, year = {2019}, month = {MAY}, pages = {3235-3244}, type = {Article}, abstract = {
Purpose: Here, we present the successful preparation of a highly efficient gallic acid resin grafted with magnetic nanoparticles (MNPs) and containing a branched brush polymeric shell.

Methods: Using a convenient co-precipitation method, we prepared Fe3O4 nanoparticles stabilized by citric acid. These nanoparticles underwent further silica modification and amino functionalization followed by gallic acid functionalization on their surface. Under alkaline conditions, we used a condensation reaction that combined formaldehyde and gallic, to graft the gallic acid-formaldehyde resin on the surface. We then evaluated the polymer-grafted MNPs to assay the Candida Antarctica B lipase(Cal-B) immobilization via physical adsorption.

Conclusion: Furthermore, during optimization of parameters that defined conditions of immobilization, we found that the optimum immobilization was achieved in 15 mins Also, optimal immobilization temperature and pH were 38 degrees C and 7.5, respectively. In addition, the reusability study of immobilized lipase polymer-grafted MNPs was done by isolating the MNPs from the reaction medium using magnetic separation, which showed that grafted MNPs reached 5 cycles with 91\% activity retention.
}, doi = {10.2147/IJN.S203547}, author = {SreeHarsha, Nagaraja and Ghorpade, Ravindra, V. and Alzahrani, Abdullah Mossa and Al-Dhubiab, Bandar E. and Venugopala, Katharigatta N.} } @article {46068, title = {Impact of plasticizer addition on molecular properties of polybutadiene rubber and its manifestations to glass transition temperature}, journal = {Macromolecular Theory and Simulations}, volume = {28}, year = {2019}, month = {JUL}, pages = {1900003}, type = {Article}, abstract = {
Effect of blending low and high T-g polymer on the structural, spatial, and temporal properties of the polybutadiene rubber are investigated using molecular dynamics simulations. It is elucidated that smaller chain length counterpart of polybutadiene (5mer-OB) acts as plasticizer for the polybutadiene rubber matrix (32mer-PB). Observed flexibility at macroscopic level by plasticizer addition is corroborated at the molecular level in the form of lower conformational rigidity and faster diffusion of polybutadiene chains in the mixtures. It is inferred that plasticizers decreases T-g of the matrix, due to cooperative influence of decreased chain packing and rigidity. Opposite effect is observed in mixtures with high T-g polymer, polystyrene. T-g of the mixtures showed substantial dependence on the type, concentration, chain length as well as miscibility of plasticizers in the matrix. However, the effect of increasing chain length is more pronounced but counter-controlled by the spatially heterogeneous distribution of the plasticizer. Clustering of polystyrene chains induced significant dynamic heterogeneity in the homogeneous polybutadiene matrix, which apparently lead to reduced plasticization effect. Addition of plasticizers in rubber induce discernible changes in the structural and dynamic properties of the rubber matrix, which manifest as the variation in glass transition and explains the real-life activity of plasticizers.
}, keywords = {Glass transition temperature, MD Simulation, plasticizer action, polybutadiene rubber, Polystyrene, spatial and dynamic heterogeneity}, issn = {1022-1344}, doi = {10.1002/mats.201900003}, author = {Sharma, Pragati and Roy, Sudip and Karimi-Varzaneh, Hossein Ali} } @conference {47488, title = {Impedance analysis and equivalent circuit modelling of cells subjected to sinusoidal vibration test using electrochemical impedance spectroscopy}, booktitle = { 2019 IEEE Transportation Electrification Conference (ITEC-India)}, year = {2019}, month = {DEC}, publisher = {IEEE}, organization = {IEEE}, address = {Bengaluru, India}, abstract = {Electrochemical impedance spectroscopy is a multipurpose and non-destructive characterization technique in the analysis of electrochemical power sources such as Li-ion cells. The nyquist curve obtained by EIS spectrum of the cell gives information about its overall health. Curve fitting of the EIS nyquist plots further helps in determining the Equivalent Circuit Model (ECM) for a particular cell. In this paper commercial Li-ion cells from three different chemistries; Lithium Nickel Manganese Cobalt Oxide (NMC), Lithium Cobalt Oxide (LCO) and Lithium Iron Phosphate (LFP) are subjected to sinusoidal vibration test as per testing standard mentioned in United States Advanced Battery Consortium (USABC). The EIS measurement of the test cells have been carried out before and after the vibration tests. Curve fitting is carried out on the EIS plots and ECM for the cells is obtained. The components present in ECM and their actual values are estimated from the curve fitting analysis. The magnitude of various resistances like equivalent series resistance (R s ), charge transfer resistance (R ct ) and solid electrolyte interphase resistance (R sei ) is evaluated. This technique is also used in determining the capacitances inside the cell, mainly capacitance (C sei ) due to Solid Electrolyte Interphase layer (SEI) and capacitance due to double layer (C dl ) formation at electrode surface. The resistance in the cell is found to be increased and the capacitances values are decreased after vibration test. Bode plot for the cells are analysed and the overall change in the impedance of cell due to the vibration test is investigated as well. Scanning electron microscopy technique is used on cell electrodes, after vibration test, to validate the actual damage that took place within the cell. The study reveals that the EIS can be used as a non-destructive tool to check cell health after mechanical abuse.}, doi = {10.1109/ITEC-India48457.2019.ITECINDIA2019-232}, author = {Bangal, Ojas A. and Chaturvedi, Vikash and Babu, P. K. Ajeet and Shelke, Manjusha V.} } @article {47489, title = {Importance of conserving fragmented forest patches with high diversity of flowering plants in the northern Western Ghats: an example from Maharashtra, India}, journal = {Journal of Threatened Taxa }, volume = {11}, year = {2019}, month = {MAY}, pages = {13833-13849}, type = {Article}, abstract = {The northern Western Ghats (NWG) comprises of a patchy continuum of forests that have been severely fragmented mainly due to anthropogenic activities. We documented tree diversity within a representative fragmented forest patch of the NWG to study the effects of fragmentation on forest structure and composition. The floristic survey was conducted by replicated strip transect sampling method leading to a total sampling area of 0.3ha. A total of 444 individual trees (Girth>10cm) were sampled, which represented 49 tree species belonging to 42 genera and 23 families. Species richness per unit area and tree density were higher than previously reported values from similar forest type in various regions of NWG. These variations, however, could have resulted due to differences in the sampling area, sampling method, and girth classes used across different studies. Nevertheless, various diversity parameters such as N/S ratio, Simpson{\^a}{\texteuro}{\texttrademark}s index, Shannon{\^a}{\texteuro}{\texttrademark}s index, and Fisher{\^a}{\texteuro}{\texttrademark}s {\^I}{\textpm} index were comparable with those reported in previous studies in the Western Ghats. The observed species richness was close to species richness estimates such as abundance-based coverage estimate, Chao-1, and Jackknife estimators. The present study also enumerates 108 species of understory flowering plants, which is provided as a checklist. While access restrictions are imposed in protected areas having high conservation priority, such restrictions are not imposed in non-protected areas, which make them much more vulnerable to anthropogenic activities. Hence, this study recommends that owing to their high diversity, the fragmented forest patches of NWG should also be given high conservation priority.}, doi = {10.11609/jott.3296.11.7.13833-13849}, author = {Kasodekar, Amol and Jadhav, Amol Dilip and Bhagat, Rani and Pawar, Rakesh Mahadev and Gupta, Vidya Shrikant and Kadoo, Narendra} } @article {45537, title = {Improved efficiency of DSSC using combustion synthesized TiO2}, journal = {Materials Research Bulletin}, volume = {109}, year = {2019}, month = {JAN}, pages = {222-226}, type = {Article}, abstract = {
Combustion synthesis method is an economic, one step and an effective method for the synthesis of nanomaterials. In this work, titanium dioxide nanoparticles were synthesized by combustion method. The synthesized material was characterized by XRD, SEM and BET. Dye sensitized solar cell was fabricated using the synthesized material and its performance was compared with the solar cell fabricated using commercial TiO2. In order to evaluate the photovoltaic performance of DSSCs, photocurrent density to photovoltage (J-V) characteristic and electrochemical impedance spectroscopy (EIS) measurements were carried out. The DSSC fabricated using combustion synthesized and commercial TiO2 exhibited a power conversion efficiency of 6.11\% and 6.62\%, respectively. Combustion synthesized TiO2 which displayed similar efficiency to that of commercial material is least studied in the literature for solar cell applications.
}, keywords = {Combustion synthesis, Dye sensitized solar cell, TiO2}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2018.09.044}, author = {Umale, Sanjivani and Sudhakar, V. and Sontakke, Sharad M. and Krishnamoorthy, K. and Pandit, Aniruddha B.} } @article {46181, title = {In situ study of radiation stability and associated conduction mechanisms of Nb-Doped TiO2/p-Si heterojunction diode under swift heavy ion irradiation}, journal = {IEEE Transactions on Electron Devices}, volume = {66}, year = {2019}, month = {MAR}, pages = {1475-1481}, type = {Article}, abstract = {
In situ current-voltage characteristics of Nb-doped TiO2/p-Si-based heterojunction diode have been studied under dense electronic excitations of 84-MeV Si6+ ions. The diode parameters such as ideality factor (eta), barrier height (phi(B)), reverse saturation current (J(s)), and series resistance (R-s) are found to be a strong function of ion irradiation fluence. The observed anomalies of fluence dependence of barrier height and ideality factor are explained in terms of irradiation-induced created defects complexes, modification of interface states and structural properties of Nbdoped-TiO2 (NTO) layer. Several mechanisms suchas barrier height inhomogeneity, donor defects-induced enchantment in n-NTO layer conductivity, and various current conduction mechanisms involved at different voltage ranges are discussed as a function of fluence with the help of constructed energy band diagram. Such in situ studies on n-NTO/p-Si heterojunction diode under radiation harsh environment are very appropriate for the better understanding of heterojunction interface properties and make it suitable for use in aerospace industry and nuclear reactors.
}, keywords = {Barrier height tuning, n-NTO/p-Si heterojunction, radiation stability of devices, secondary electron irradiation, space-charge limited current}, issn = {0018-9383}, doi = {10.1109/TED.2019.2893886}, author = {Gautam, Subodh Kumar and Singh, Jitendra and Singh, Ram Gopal and Gautam, Naina and Trivedi, Priyanka and Singh, Fouran} } @article {46291, title = {In vitro and in silico studies on membrane interactions of diverse Capsicum annuum flower gamma-thionin peptides}, journal = {Proteins-Structure Function and Bioinformatics}, year = {2019}, month = {AUG}, type = {Article; Early Access}, abstract = {
Thionins are small, cysteine-rich peptides that play an important role in plant defense, primarily through their interactions with membranes. Eight novel gamma-thionin peptides (CanThio1-8) were isolated from the flower of Capsicum annuum. Sequence analysis revealed that the peptides cluster into three groups. A representative peptide from each group (CanThio1, 2, and 3) was used for experimental characterization. Interestingly, peptides were found to possess some cytotoxic activity against normal human embryonic kidney cell line but higher cytotoxicity against cancer cell line MCF-7. CanThio3 peptide was chosen as a representative peptide to study the molecular mechanism of action on membranes. Microsecond timescale atomistic simulations of CanThio3 were performed in the presence of a POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine) lipid bilayer. Simulations revealed that CanThio3 interacts with the bilayer and causes lipid thinning in the vicinity. Nonpolar amino acids specific to the alpha-core region of CanThio3 along with nonpolar residues in the gamma-core region are seen to interact with the lipid tails. The differences in the amino acid sequence of CanThio peptides in these regions explain the variability in cytotoxic activities. In summary, our results demonstrate the membrane-mediated activity of a novel series of gamma-thionin peptides from C. annuum.
}, keywords = {Capsicum annuum, Cytotoxicity, gamma-thionin, MD simulations, Membrane}, issn = {0887-3585}, doi = {10.1002/prot.25791}, author = {Nikte, Siddhanta and Gahankari, Apurva and Mulla, Javed and Sengupta, Durba and Joshi, Manali and Tamhane, Vaijayanti} } @article {46019, title = {Inducing disorder in order: hierarchically porous covalent organic framework nanostructures for rapid removal of persistent organic pollutants}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {MAY }, pages = {7572-7581}, type = {Article}, abstract = {
The key factor responsible for fast diffusion and mass transfer through a porous material is the availability of a widely open pore interior having complete accessibility from their surface. However, because of their highly stacked nature, ordered two-dimensional (2D) materials fail to find real-world applicability, as it is difficult to take advantage of their complete structure, especially the inner cores. In this regard, three-dimensional (3D) nanostructures constructed from layered two-dimensional crystallites could prove to be advantageous. However, the real challenge is to cultivate a porous nanostructure with ordered pores where the pores are surrounded by crystalline walls. Herein, a simple yet versatile in situ gas-phase foaming technique has been employed to address these cardinal issues. The use of baking soda leads to the continuous effervescence of CO2 during the crystallization of foam, which creates ripples and fluctuations on the surface of the 2D crystallites. The induction of ordered micropores within the disordered 3D architecture synergistically renders fast diffusion of various guests through the interconnected pore network. The high-density defects in the hierarchically porous structure help in ultrafast adsorption (\<10 s) of various pollutants (removal efficiency of 99\%) from water, all of which would lead to significant environmental benefit. The pseudo-second-order rate constant for the BPA pollutant is 182.3 g mg(-1) min(-1), which is the highest among all the literature reports to date. The high removal efficiency (highest efficiency of 94\% and average efficiency of 70\%) of a persistent organic pollutant has been attended for the first time.
}, issn = {0002-7863}, doi = {10.1021/jacs.9b02706}, author = {Karak, Suvendu and Dey, Kaushik and Torris, Arun and Halder, Arjun and Bera, Saibal and Kanheerampockil, Fayis and Banerjee, Rahul} } @article {46235, title = { Influence of crowding and surfaces on protein amyloidogenesis: A thermo-kinetic perspective }, journal = {Biochimica ET Biophysica Acta-Proteins and Proteomics}, volume = {1867}, year = {2019}, month = {OCT}, pages = {941-953}, type = {Article}, abstract = {
The last few decades have irreversibly implicated protein self-assembly and aggregation leading to amyloid fibril formation in proteopathies that include several neurodegenerative diseases. Emerging studies recognize the importance of eliciting the pathways leading to protein aggregation in the context of the crowded intracellular environment rather than in conventional in vitro conditions. It is found that crowded environments can have acceleratory as well as inhibitory effects on protein aggregation, depending on the interplay of underlying factors on the crucial rate limiting steps. The aggregation mechanism and transient species formed along the pathway are further altered when they interface with natural and artificial surfaces in the cellular milieu. An increasing number of studies probe the autocatalytic nature of amyloid surfaces as well as membrane bilayer effects on amyloidogenesis. Moreover, exposure to modern nanosurfaces via nanomedicines and other sources potentially invokes beneficial or deleterious biological response that needs rigorous investigation. Mounting evidences indicate that nanoparticles can either promote or impede amyloid aggregation, spurring efforts to tune their interactions for developing effective anti-amyloid strategies. Mechanistic insights into nanoparticle mediated aggregation pathways are therefore crucial for engineering anti-amyloid nanoparticle strategies that are biocompatible and sustainable. This review is a compilation of studies that contribute to the current understanding of the altering effects of molecular crowding as well as natural and artificial surfaces on protein amyloidogenesis.
}, doi = {10.1016/j.bbapap.2019.03.009}, author = {Menon, Sneha and Sengupta, Neelanjana} } @article {45552, title = {Influence of nanocellulose on mechanics and morphology of polyvinyl alcohol xerogels}, journal = {Journal of the Mechanical Behavior of Biomedical Materials}, volume = {90}, year = {2019}, month = {FEB}, pages = {275-283}, type = {Article}, abstract = {
Xerogels are porous networks of crosslinked polymers that are useful for biomedical applications such as drug delivery, scaffold engineering, tissue regeneration, cell culture and wound dressing. However, inferior mechanical properties curtail their applications to a considerable extent. Nanocellulose fibers and crystals are often added into the polymer matrix to improve their mechanical strength. Here, nanocellulose in the mass ratios of 7\%, 13\% and 18\% are loaded into polyvinyl alcohol (PVA) matrix followed by thermo-morpho-mechanical characterization. With increase in nanocellulose content, thermal degradation occurs at a lower temperature. It is observed that addition of higher quantity of nanocellulose crystals leads to the formation of weak cellulose rich regions causing xerogel rupture. This is predominantly observed for xerogel loaded with 18\% nanocellulose crystals. Similarly, addition of higher quantity of nanocellulose fibers increase brittleness of the xerogels causing fracture. This is predominantly observed for xerogel loaded with 18\% nanocellulose fibers. Creep strain and stress relaxation is observed to decrease with addition of nanocellulose loading owing to molecular chain restriction and polymer chain immobility.
}, keywords = {Mechanics, Morphology, Nanocellulose, Xerogels}, issn = {1751-6161}, doi = {10.1016/j.jmbbm.2018.10.024}, author = {Pramanik, R. and Ganivada, B. and Ram, Farsa and Shanmuganathan, Kadhiravan and Arockiarajan, A.} } @article {46287, title = {Inorganic metal iodide mediated solution phase surface passivation for quantum dot solar cell}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {30}, year = {2019}, month = {SEP}, pages = {16234-16243}, type = {Article}, abstract = {
The recent advancements in solution phase surface passivation of quantum dots (QDs) enable the development of production compatible QD ink for their large-area deposition, of a single coating. Surface passivation and colloidal stability of the QDs in polar solvents have been achieved using inorganic-organic hybrid halometallate ligands. The inorganic halometallate anions bind to the unsaturated metal sites of the QD surface, while the organic counter cations provide the colloidal stability and charge balance to the QDs. Organic ligands is a reason for concern though for the stability of the QD solar cells processed from solution-phase ligand exchange. Here, we report a solution-phase ligand exchange strategy using alkali metal halides as a substitution for the organic counterpart to facilitate solution-phase ligand exchange using all-inorganic halometallate ligands. Considering the limited solubility of the alkali halides in organic solvents a two-stage ligand-exchanged process has been commenced to help remove the excess ligands, preserve the electronic purity and allow the formation of highly passivated QD films from solution-phase deposition. A twofold increase in solar cell performance is shown with the help of the modified ligand exchange approach. The solar cell properties are further analysed through detailed characterizations of the QD solar cells.
}, doi = {10.1007/s10854-019-01992-9}, author = {Tulsani, Srikanth Reddy and Ganguly, Saptam and Rath, Arup K.} } @article {45594, title = {Insect-repellent and mosquitocidal effects of noreremophilane- and nardoaristolone-based compounds}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {2188{\textendash}2195}, type = {Article}, abstract = {
Here, we disclose novel mosquito-repellent synthetic hydrindanes based on noreremophilanes and nardoaristolone B which show increased activity against adult females of Aedes aegypti. The noreremophilanes and nardoaristolone B with hydrindane skeleton are structurally related to nootkatone with decalin skeleton, a well-studied natural product extracted from a grape fruit. Out of our library of compounds synthesized based on the noreremophilanes and nardoaristolone B scaffolds, NDS-100598 (compound 20) exhibits higher repellent and knock-down effects at a very low concentration (0.25 mg/cm2), while a few analogues showed considerably enhanced activity compared to racemic nootkatone. This is the first report documenting insect-repellent and knock-down activity of the noreremophilanes class of compounds.
}, doi = {10.1021/acsomega.8b03652}, author = {Handore, K. L. and Kalmode, H. P. and Sayyad, S. and Seetharamsingh, B. and Gathalkar, G. and Padole, S. and Pawar, P. V. and Joseph, M. and Sen, A. and Reddy, D. S.} } @article {46276, title = {Insights into the origin of life: did it begin from HCN and H2O?}, journal = {Acs Central Science}, volume = {5}, year = {2019}, month = {SEP}, pages = {1532-1540}, type = {Article}, abstract = {
The seminal Urey-Miller experiments showed that molecules crucial to life such as HCN could have formed in the reducing atmosphere of the Hadean Earth and then dissolved in the oceans. Subsequent proponents of the "RNA World" hypothesis have shown aqueous HCN to be the starting point for the formation of the precursors of RNA and proteins. However, the conditions of early Earth suggest that aqueous HCN would have had to react under a significant number of constraints. Therefore, given the limiting conditions, could RNA and protein precursors still have formed from aqueous HCN? If so, what mechanistic routes would have been followed? The current computational study, with the aid of the ab initio nanoreactor (AINR), a powerful new tool in computational chemistry, addresses these crucial questions. Gratifyingly, not only do the results from the AINR approach show that aqueous HCN could indeed have been the source of RNA and protein precursors, but they also indicate that just the interaction of HCN with water would have sufficed to begin a series of reactions leading to the precursors. The current work therefore provides important missing links in the story of prebiotic chemistry and charts the road from aqueous HCN to the precursors of RNA and proteins.
}, doi = {10.1021/acscentsci.9b00520}, author = {Das, Tamal and Ghule, Siddharth and Vanka, Kumar} } @article {46305, title = {In-situ generated Mn3O4-reduced graphene oxide nanocomposite for oxygen reduction reaction and isolated reduced graphene oxide for supercapacitor applications}, journal = {Carbon}, volume = {154}, year = {2019}, month = {DEC}, pages = {285-291}, type = {Article}, abstract = {
We have generated in situ nanocomposite of Mn3O4 and reduced graphene oxide (rGO) upon employing wet-chemical reduction of graphene oxide (GO) by Mn(II) salt as mild-reducing agent for the first time and examined the oxygen reduction reaction (ORR) activity in 0.1 M KOH electrolyte. The half-wave potential (E-1/2) of the nanocomposite catalyst (20\% Mn3O4-rGO/C) was found to be around -0.153 V which is only similar to 87 mV negative from the commercially available catalyst (20\% Pt/C). Remarkably, after 5000 linear sweep voltammetry cycles the E-1/2 shifted marginally by 20 mV; and the number of electrons transferred during ORR was estimated to be close to 4. Such an efficient electrocatalytic performance of the nanocomposite was primarily attributed to the synergistic interaction between Mn3O4 and rGO. The fabricated all-solid-state supercapacitor of rGO (extracted from the nanocomposite) in aqueous polyvinyl alcohol-sulfuric acid (PVA-H2SO4) gel polymer electrolyte (GPE) showed C-s value of similar to 310 F/g at a current density of 1 A/g along with long durability (10,000 charge-discharge cycles). All-solid-state flexible rGO supercapacitor exhibited high-flexibility and excellent durability (30,000 cycles with 100\% retention of C-s). Our results provide an enormous opportunity in designing transition metal oxides decorated semiconducting reduced graphene oxide nanocomposite platforms for various electrochemical applications. (C) 2019 Elsevier Ltd. All rights reserved.
}, issn = {0008-6223}, doi = {10.1016/j.carbon.2019.08.012}, author = {Jha, Plawan Kumar and Kashyap, Varchaswal and Gupta, Kriti and Kumar, Vikash and Debnath, Anil Krishna and Roy, Debashree and Rana, Shammi and Kurungot, Sreekumar and Ballav, Nirmalya} } @article {45500, title = {Integrative omics analysis in Pandanus odorifer (Forssk.) Kuntze reveals the role of Asparagine synthetase in salinity tolerance}, journal = {Scientific Reports}, volume = {9}, year = {2019}, month = {JAN }, pages = {Article Number: 932}, type = {Article}, abstract = {
Pandanus odorifer (Forssk) Kuntze grows naturally along the coastal regions and withstands salt-sprays as well as strong winds. A combination of omics approaches and enzyme activity studies was employed to comprehend the mechanistic basis of high salinity tolerance in P. odorifer. The young seedlings of P. odorifer were exposed to 1 M salt stress for up to three weeks and analyzed using RNAsequencing (RNAseq) and LC-MS. Integrative omics analysis revealed high expression of the Asparagine synthetase (AS) (EC 6.3.5.4) (8.95 fold) and remarkable levels of Asparagine (Asn) (28.5 fold). This indicated that salt stress promoted Asn accumulation in P. odorifer. To understand this further, the Asn biosynthesis pathway was traced out in P. odorifer. It was noticed that seven genes involved in Asn bisynthetic pathway namely glutamine synthetase (GS) (EC 6.3.1.2) glutamate synthase (GOGAT) (EC 1.4.1.14), aspartate kinase (EC 2.7.2.4), pyruvate kinase (EC 2.7.1.40), aspartate aminotransferase (AspAT) (EC 2.6.1.1), phosphoenolpyruvate carboxylase (PEPC) (EC 4.1.1.31) and AS were up-regulated under salt stress. AS transcripts were most abundant thereby showed its highest activity and thus were generating maximal Asn under salt stress. Also, an up-regulated Na+/H+ antiporter (NHX1) facilitated compartmentalization of Na+ into vacuoles, suggesting P. odorifer as salt accumulator species.
}, issn = {2045-2322}, doi = {10.1038/s41598-018-37039-y}, author = {Rashmi, Deo and Barvkar, Vitthal T. and Nadaf, Altafhusain and Mundhe, Swapnil and Kadoo, Narendra Y.} } @article {46222, title = { Intermolecular acyl-transfer reactions in molecular crystals }, journal = {Accounts of Chemical Research}, volume = {52}, year = {2019}, month = {FEB}, pages = {437-446}, type = {Article}, abstract = {
CONSPECTUS: It is far more difficult to recognize and predict the chemical reactions that a molecule of an organic compound can undergo in crystalline (solid) state as compared to the solution state (the "organic functional group" approach), since the published data on solid-state structure reactivity investigations and correlations are scant. The discovery of the first intermolecular acyl-transfer reaction in molecular crystals of racemic 2,4-di-O-benzoyl-myo-inositol-1,3,5-orthoformate (DiBz) during our attempts to develop methods for the synthesis of phosphoinositols, motivated us to find other molecular crystals capable of supporting similar reactions. Small changes to the molecular structure of DiBz yielded analogues with different crystal structures which showed varying degrees of acyl transfer reactivity as compared to the crystals of DiBz. A systematic investigation of the structures, polymorphism, cocrystallization behavior, and the corresponding reactivity of these crystals allowed us to correlate the acyl transfer reactivity with their structures and inherent noncovalent interactions and provided crucial insights into the mechanism of these reactions. Polymorphs or cocrystals of these compounds exhibited dissimilar reactivities due to differences in the molecular conformation and/or arrangements in their crystals. The knowledge of phase transitions between polymorphs enabled us to control and tune the reactivity in the solid state. We could identify three conditions essential for intermolecular acyl transfer: (i) favorable relative geometry of the electrophile (ester C=O) and the nucleophile (OH), (ii) noncovalent interactions (C-H center dot center dot center dot pi) between the reacting molecules which help in maintaining the facility and specificity of the reaction, and (iii) the presence of channels in the lattice which enable propagation of the reaction in the crystal. Based on this supramolecular structure reactivity correlation, we identified other molecular crystals (composed of molecules of widely different molecular structure from that of DiBz) from a survey of the Cambridge Structural Database (CSD) and predicted their acyl transfer reactivity. The increased availability of user-friendly modern X-ray diffractometers and related software has enabled efficient collection, analysis and interpretation of single crystal X-ray diffraction data, essential for such studies. The rapidly expanding CSD facilitates the identification of crystals with similar structures and reactivity patterns. In a wider perspective, facile reactions in molecular crystals fascinate chemists because these reactions usually exhibit unique product selectivity and have the potential to be developed as sustainable green reactions. We are optimistic that similar approaches for the study of other group transfer reactions in molecular crystals would augment and widen the scope of chemical reactions in molecular crystals in particular and the solid state in general. The ability to predict the reactivity of molecules in their crystals could find applications in organic synthesis, material science and industry. Realization of the involvement of inositol derivatives in cellular processes led to the discovery of cellular signal transduction mechanisms. The ability of inositol derivatives to support facile acyl-transfer reactions in the crystalline state might well have opened a new avenue for research in the area of organic solid-state reactions.
}, doi = {10.1021/acs.accounts.8b00557}, author = {Shashidhar, Mysore S. and Krishnaswamy, Shobhana} } @article {45515, title = {Interplay between membrane curvature and cholesterol: role of palmitoylated caveolin-1}, journal = {Biophysical Journal}, volume = {116}, year = {2019}, month = {JAN }, pages = {69-78}, type = {Article}, abstract = {
Caveolin-1 (cav-1) is an important player in cell signaling and endocytosis that has been shown to colocalize with cholesterol-rich membrane domains. Experimental studies with varying cav-1 constructs have suggested that it can induce both cholesterol clustering and membrane curvature. Here, we probe the molecular origin of membrane curvature and cholesterol clustering by cav-1 by using coarse-grain molecular dynamics simulations. We have performed a series of simulations of a functionally important cav-1 construct, comprising the membrane-interacting domains and a C-terminal palmitoyl tail. Our results suggest that cav-1 is able to induce cholesterol clustering in the membrane leaflet to which it is bound as well as the opposing leaflet. A positive membrane curvature is observed upon cav-1 binding in cholesterol-containing bilayers. Interestingly, we observe an interplay between cholesterol clustering and membrane curvature such that cav-1 is able to induce higher membrane curvature in cholesterol-rich membranes. The role of the cav-1 palmitoyl tail is less clear and appears to increase the membrane contacts. Further, we address the importance of the secondary structure of cav-1 domains and show that it could play an important role in membrane curvature and cholesterol clustering. Our work is an important step toward a molecular picture of caveolae and vesicular endocytosis.
}, issn = {0006-3495}, doi = {10.1016/j.bpj.2018.11.3127}, author = {Krishna, Anjali and Sengupta, Durba} } @inbook {47474, title = {Introduction}, booktitle = {Fundamentals and Sensing Applications of 2D Materials}, number = {Woodhead Publishing Series in Electronic and Optical Materials}, year = {2019}, pages = {1-3}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {The book provides comprehensive and updated research contribution about advances in synthesis/growth of 2D materials for various sensor applications, their working principles, and mechanism behind the sensor as well physics and chemistry of materials.}, doi = {10.1016/B978-0-08-102577-2.00001-4}, author = {Morgan, Hywel and Rout, Chandra S. and Late, Dattatray J.} } @article {45551, title = {Investigation of structural and saccharide binding transitions of Bauhinia purpurea and Wisteria floribunda lectins}, journal = {Archives of Biochemistry and Biophysics}, volume = {662}, year = {2019}, month = {FEB }, pages = {134-142}, type = {Article}, abstract = {
Two novel medicinally important legume lectins from Bauhinia purpurea (BPL) and Wisteria floribunda (WFL) possessing extended sugar binding site were investigated for functional and conformational transitions using biochemical and biophysical techniques as well as bioinformatical tools. Homology model of BPL was constructed using the Schrodinger suite and docked with N-acetyl galactosamine and T-antigen disaccharide (Gal beta 1-3GalNAc alpha O-Me). The longer loop D in the structure of WFL compared to that in BPL was found to be responsible for its specificity to LacdiNac (beta-D-GalNAc-[1 -\> 4]-DGlcNAc) over Gal beta 1-3GalNAc. BPL remained functionally stable up to 40 degrees C whereas WFL remained stable upto 70 degrees C indicating the strength of the sugar binding site geometry. Both the lectins showed intense but non-specific secondary structure in the range of 65-90 degrees C. WFL showed rapid aggregation above 80 degrees C as indicated by light scattering intensity. The lectins showed simultaneous dissociation and multistate unfolding in the vicinity of GdnHCl. At pH 1.0, both the lectins exhibited molten globule like structures, which were characterized further and were found to respond in a different way towards denaturants. The results have provided valuable insights into the molecular basis of the activity and stability of the two lectins.
}, keywords = {Conformation, Homology model, Lectin, Molten globule, saccharide binding, Thermal aggregation}, issn = {0003-9861}, doi = {10.1016/j.abb.2018.12.003}, author = {Agrawal, Sanskruthi B. and Ghosh, Deepanjan and Gaikwad, Sushama M.} } @article {46095, title = {Iodine-mediated oxidative rearrangement of alpha,beta-unsaturated diaryl ketones: a facile access to 1,2-diaryl diketones}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JUN}, pages = {9636-9644}, type = {Article}, abstract = {
A metal-free oxidative rearrangement was explored for the synthesis of 1,2-diaryl diketones by utilizing alpha, beta-unsaturated diaryl ketones and I-2/TBHP in good to high yields. The reaction proceeds via oxidative aryl migration, followed by C-C bond cleavage. A simple and high-yielding protocol was developed for the synthesis of a wide range of 1,2-diaryl diketones, which are the backbone for a variety of medicinally important molecules.
}, issn = {2470-1343}, doi = {10.1021/acsomega.9b00833}, author = {Bansode, Ajay H. and Suryavanshi, Gurunath} } @article {46214, title = {Ionic liquid-responsive phase transfer of gold nanoparticles: anionic metathesis}, journal = {Langmuir}, volume = {35}, year = {2019}, month = {JULY}, pages = {9213-9218}, type = {Article}, abstract = {
In this work, a fresh approach has been proposed for the efficient transfer of gold nanoparticles (AuNPs) from an aqueous to organic phase by the metathesis reaction or anion exchange reaction. Here, we synthesized ionic liquid 1-butyl 3-hexadecyl imidazolium bromide [C(4)C1(6I)m]-Br-stabilized AuNPs which exhibit excellent stability in solution. Transfer of Au@[C(4)C(16)Im]Br from an aqueous to organic phase was investigated by the metathesis reaction with different hydrophobic ionic liquid-forming salts such as LiNTf2, LiClO4, and KPF6. The anionic exchange process in ionic liquids at the AuNP surface to make hydrophilic to hydrophobic AuNPs is demonstrated. It was found that hydrophobic ionic liquids provide the most effective transfer of AuNPs from the aqueous to organic phase. Interestingly, we have noticed no change in color, size, and shape of AuNPs for more than a month, indicating more efficient transfer of AuNPs in organic solvents, which remained stable for over a month. The ionic liquids with anions NTf2-, ClO4-, and PF6- make the AuNP surface hydrophobic, indicating their good dispersibility in nonpolar solvents. Finally, these AuNPs exhibit excellent sensitivity toward the refractive index of organic solvents, which is correlated with the surface plasmon resonance (SPR) lambda(SPR) bands.
}, doi = {10.1021/acs.langmuir.9b01223}, author = {Thawarkar, Sachin and Nirmale, Trupti C and More, Sahebrao and Ambekar, Jalindar D and Kale, Bharat B and Khupse, Nageshwar D} } @article {46192, title = {Ionic pyridinium-oxazole dyads: design, synthesis, and application in mitochondrial imaging}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {FEB }, pages = {1766-1777}, type = {Article}, abstract = {
We recently developed an oxidative intramolecular 1,2-amino-oxygenation reaction, combining gold(I)/gold(III) catalysis, for accessing structurally unique ionic pyridinium-oxazole dyads (PODs) with tunable emission wavelengths. On further investigation, these fluorophores turned out to be potential biomarkers; in particular, the one containing -NMe2 functionality (NMe2-POD) was highly selective for mitochondrial imaging. Of note, because of mitochondria{\textquoteright}s involvement in early-stage apoptosis and degenerative conditions, tracking the dynamics of mitochondrial morphology with such imaging technology has attracted much interest. Along this line, we wanted to build a library of such PODs which are potential mitochondria trackers. However, Au/Selecfluor, our first-generation catalyst system, suffers from undesired fluorination of electronically rich PODs resulting in an inseparable mixture (1:1) of the PODs and their fluorinated derivatives. In our attempt to search for a better alternative to circumvent this issue, we developed a second-generation approach for the synthesis of PODs by employing Cu(II)/PhI(OAC)(2)-mediated oxidative 1,2-amino-oxygenation of alkynes. Thes newly synthesized PODs exhibit tunable emissions as well as excellent quantum efficiency up to 0.96. Further, this powerful process gives rapid access to a library of NMe2-PODs which are potential mitochondrial imaging agents. Out of the library, the randomly chosen POD-3g was studied for cell-imaging experiments which showed high mitochondrial specificity, superior photostability, and appreciable tolerance to microenvironment changes with respect to commercially available MitoTracker green.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02528}, author = {Shaikh, Aslam C. and Varma, Mokshada E. and Mule, Ravindra D. and Banerjee, Somsuvra and Kulkarni, Prasad P. and Patil, Nitin T.} } @article {46182, title = {Iridium(III)-catalyzed alkynylation of 2-(Hetero)arylquinazolin-4-one scaffolds via C-H bond activation}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {MAR }, pages = {2951-2961}, type = {Article}, abstract = {
The directed C-H alkynylation of 2-(hetero)arylquinazolin-4-ones has been explored with the ethynylbenziodoxolone reagent TIPS-EBX employing an Ir(III) catalyst. Complementary conditions for either monoalkynylation or dialkynylation have been developed. Also demonstrated is the broad scope of this reaction and the compatibility of various functional groups such as -F, -Cl, -Br, -CF3, -OMe, -NO2, and alkyl, etc.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02738}, author = {Rohokale, Rajendra S. and Kalshetti, Rupali G. and Ramana, Chepuri V.} } @article {47162, title = {Isolation and molecular characterization of thermophilic coprophilous fungus malbranchea cinnamomea GSMBKU from goat dung}, journal = {Journal of Pure and Applied Microbiology}, volume = {13}, year = {2019}, month = {DEC}, pages = {2227-2233}, abstract = {
Thermophilic fungi, found in the varied habitats are valuable sources for potential enzymes and other biochemical metabolites throwing challenges to the mycologists. A study of such fungi will not only enables the biochemists, microbiologists, and the biotechnologists to understand the basic molecular process but also search for novel genes, gene products and reactions. In this study, Malbranchea cinnamomea was isolated from goat dung and characterized based on its morphological and physiological characters, and later confirmed molecularly.
}, doi = {10.22207/JPAM.13.4.36 }, author = {Ajmera, Shanthipriya and Rao, V. Koteswara and Ranipadmini, V. and Merugu, Ramchander and Girisham, Sivadevuni} } @article {45553, title = {Kinetics of cinnamaldehyde hydrogenation in four phase system}, journal = {Chemical Engineering Journal}, volume = {377}, year = {2019}, month = {DEC}, pages = {Article Number: UNSP 120512}, type = {Article}, abstract = {
The kinetics of cinnamaldehyde hydrogenation in four phase system viz. gas (hydrogen)-liquid (cinnamaldehyde + toluene)-liquid (aqueous KOH)-solid (catalyst, 5\% Pt/C), [GLLS] system has been studied in this work. As reported, addition of aqueous alkali in hydrogenation of unsaturated aldehydes like cinnamaldehyde shifts selectivity towards unsaturated alcohol, cinnamyl alcohol. The promotion action by alkali metals for improving selectivity towards cinnamyl alcohol involves changes in the adsorption mechanism of the cinnamaldehyde in a way that CO bond get preferentially hydrogenated. In cinnamaldehyde hydrogenation in presence of promoters two different catalytic sites can be considered, each for CO and CC bond hydrogenation. In accordance with this consideration and as demonstrated in various studies on hydrogenation of unsaturated aldehydes, further hydrogenation of intermediate-cinnamyl alcohol (CC bond hydrogenation) occurs on Pt only sites while cinnamaldehyde and intermediate hydrocinnamaldehyde (both involving CO bond hydrogenation) are hydrogenated on catalytic sites affected by promoters. This preferential adsorption and hydrogenation through CO bond leads to the increased selectivity of cinnamyl alcohol. Although, many authors have studied cinnamaldehyde hydrogenation using various promoters, there are very few reports on kinetics in which this two site approach behind promotion action has been considered. The effect of various operating parameters on the rates of hydrogenation was studied and the two site Langmuir-Hinshelwood type of kinetic model was used for evaluating the kinetic parameters by fitting experimental data. The thermodynamic model for estimating the solubility of hydrogen in the reaction mixture was incorporated with this kinetic model.
}, doi = {10.1016/j.cej.2018.11.210}, author = {Khan, M. and Joshi, S. and Ranade, V.} } @article {45489, title = {Kinetics of hydroformylation of 1-decene using carbon-supported ossified HRh(CO)(TPPTS)(3) catalyst}, journal = {International Journal of Chemical Kinetics}, volume = {51}, year = {2019}, month = {FEB}, pages = {112-122}, type = {Article}, abstract = {
The kinetics of hydroformylation of 1-decene has been investigated using a carbon-supported ossified HRh(CO)(TPPTS)(3)/Ba catalyst in a temperature range of 343-363 K. The effect of concentration of 1-decene, catalyst loading, partial pressure of H-2 and CO, and stirring speed on the reaction rate has been investigated. A first-order dependence was observed for catalyst concentration and hydrogen partial pressure. The rate showed a typical case of substrate inhibition for high 1-decene concentration. The rate varied with a linear dependence on P-CO up to a CO partial pressure of 5-6 MPa in contrast to the general trends; for most of the rhodium-phosphine catalyzed hydroformylation reactions, severe inhibition of rate is observed with an increase in CO pressure. A rate equation has been proposed, which was found to be in good agreement with the observed rate data within the limit of experimental errors. The kinetic parameters and activation energy values have been reported.
}, keywords = {1-decene, Hydroformylation, kinetics, ossification, supported ossified}, issn = {0538-8066}, doi = {10.1002/kin.21234}, author = {Pagar, Nitin S. and Deshpande, Raj M.} } @article {46316, title = {Kinetics of hydrogenation of aqueous levulinic acid over bimetallic Ru-Ni/MMT catalyst}, journal = {Industrial \& Engineering Chemistry Research}, volume = {58}, year = {2019}, month = {OCT }, pages = {19803-19817}, type = {Article}, abstract = {
gamma-Valerolactone is one of the value-added products obtained from levulinic acid hydrogenation, having tremendous applications in fuels and chemicals. In this work, several monometallic and bimetallic compositions of Ru and Ni were prepared and evaluated for levulinic acid hydrogenation in an aqueous medium. The optimum composition of 0.5 wt \% Ru and 5 wt \% Ni on MMT was found to achieve 91\% levulinic acid conversion with complete selectivity to gamma-valerolactone within 5 h at 220 degrees C and 250 psig H-2 pressure. XPS and H-2-TPR studies clearly showed that the electronic interactions between Ru-Ni leading to the synergism enhanced the catalytic efficiency of the Ru-Ni bimetallic catalyst. The average metal particle size by HRTEM was found to be in the range of 1.5-4.5 nm, having mixed cubic, oval, and spherical morphology, dispersed on the surface as well as within the layers of MMT. NH3-TPD showed a higher acidity due to both Lewis and Bronsted sites of the 0.5 wt \% Ru-5 wt \% Ni/MMT catalyst than individual MMT and monometallic catalysts. The presence of higher Lewis acidic sites preferred selective formation of GVL. Reaction kinetics was studied to propose the rate equation for this reaction based on which a plausible reaction pathway is proposed involving a first step dehydration of levulinic acid to an alpha-angelica lactone intermediate which then undergoes hydrogenation by dissociatively adsorbed H-2 to form gamma-valerolactone. The stability of our catalyst was proved by its recycle studies as well as by a hot filtration test.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b03748}, author = {Kasar, Gayatri B. and Medhekar, Rucha S. and Bhosale, P. N. and Rode, V, Chandrashekhar} } @article {45491, title = {Large enhancement in the magnetostriction parameters of the composite of CoFe2O4 and CoFe1.9Ga0.1O4}, journal = {Materials Letters}, volume = {236}, year = {2019}, month = {FEB }, pages = {303-306}, type = {Article}, abstract = {
A new strategy to enhance the magnetostriction parameters of cobalt ferrite (CoFe2O4) is illustrated. A composite comprising of nanocrystalline CoFe2O4 and bulk CoFe(1.9)Ga(0.1)O(4 )powders were mixed together then compacted and sintered at 1450 degrees C for 10 min. For a composite of 70 wt\% CoFe2O4 and 30 wt\% of CoFe(1.9)Ga(0.1)O4, maximum magnetostriction coefficient (lambda(max)) of -350 ppm has been obtained at lower magnetic field which is nearly 20\% and 65\% higher than that obtained for CoFe2O4 and CoFe1.9Ga0.1O4, respectively. Moreover, the composite exhibited higher strain sensitivity [d lambda/dH](max )of -2.6 x 10 (9) A(-1) m against the individual components of the composite. (C) 2018 Published by Elsevier B.V.
}, keywords = {Ceramics, Composite materials, Magnetic materials}, issn = {0167-577X}, doi = {10.1016/j.matlet.2018.10.115}, author = {Anantharamaiah, P. N. and Joy, P. A.} } @conference {47487, title = {Leukemia cancer detection using image analytics : (comparative study)}, booktitle = {2019 5th International Conference On Computing, Communication, Control And Automation (ICCUBEA)}, year = {2019}, month = {SEP}, publisher = {IEEE Xplore}, organization = {IEEE Xplore}, address = {Pune, India}, abstract = {Leukemia is a cancer of white blood cells (WBC). It can be fatal if not detected early. Microscopic images are studied by hematologists for detecting cancer. This manual detection becomes very tedious and time-consuming process. Leukemia if detected in earlier stages, can be cured. But traditional process causes late detection of cancerous cells. Hence in order to minimize the death caused due to late detection, an automated system can be used. This paper proposes an automated system which uses image analytics. Based on image analytics and classification algorithms performed on cell image samples of patients, the proposed system will give correct output. The dataset for experimentation is obtained from TCIA (The Cancer Imaging Archive) repository. The dataset is already pre-processed. An open source tool, "Orange-Data Mining" is used for predictions. In this comparative study, it was found that K-means clustering performs well for segmentation phase and also Neural Networks gives better results for classification phase. We have achieved AUC (area under curve) 0.865, Calculation accuracy (0.838), precision (0.835) and F1(0.836) for neural networks.}, doi = {10.1109/ICCUBEA47591.2019.9128546}, author = {Belhekar, Akshay and Gagare, Kumar and Bedse, Ritesh and Bhelkar, Yugandhar and Rajeswari, K. and Karthikeyan, Muthukumarasamy} } @article {46338, title = {Ligand-enabled gold-catalyzed C(sp(2))-n cross-coupling reactions of aryl iodides with amines}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {OCT }, pages = {8101-8105}, type = {Article}, abstract = {
The first example of ancillary (P,N)-ligand-enabled gold-catalyzed C-N cross-coupling reactions of aryl iodides with amines is reported. The high generality of the reaction in de novo synthesis, late-stage modifications, and cascade processes to access functionalized indolinones and carbazoles underscores the synthetic potential of the presented strategy. Monitoring the reaction with ESI-HRMS and NMR provided strong evidence for the in situ formation of putative high valent Au(III) intermediates.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b03082}, author = {Akram, Manjur O. and Das, Avishek and Chakrabarty, Indradweep and Patil, Nitin T.} } @article {45611, title = {Light-triggered, spatially localized chemistry by photoinduced electron transfer}, journal = {Angewandte Chemie-International Edition}, volume = {58}, year = {2019}, month = {FEB}, pages = {2715-2719}, type = {Article}, abstract = {
It is of immense interest to exert spatial and temporal control of chemical reactions. It is now demonstrated that irradiation can trigger reactions specifically at the surface of a simple colloidal construct, obtained by adsorbing polyethyleneimine on fluorescent colloidal particles. Exciting the fluorescent dye in the colloid affords photoinduced electron transfer to spatially proximal amine groups on the adsorbed polymer to form free radical ions. It is demonstrated that these can be harnessed to polymerize acrylic acid monomer at the particle surface, or to break up colloidal assemblies by cleaving a cross-linked polymer mesh. Formation of free radical ions is not a function of the size of the colloid, neither is it restricted to a specific fluorophore. Fluorophores with redox potentials that allow photoinduced electron transfer with amine groups show formation of free radical ions.
}, doi = {10.1002/anie.201812700}, author = {Usgaonkar, S. and Deshmukh, S. and Biswas, B. and Karjule, N. and Yadav, P. and Nithyanandhan, J. and Kumaraswamy, G.} } @article {46426, title = {Lignin conversion using catalytic ionic liquids: understanding the role of cations, anions, and hammett acidity functions}, journal = {Industrial \& Engineering Chemistry Research}, volume = {58}, year = {2019}, month = {NOV }, pages = {21273-21284}, type = {Article}, abstract = {
Because it is undisputable that lignin depolymerization is a must to make the biorefinery concept economically feasible, several efforts are put toward it; however, a lot of catalyst designing is required to achieve efficient depolymerization activities. In this work, we show a systematic approach in the synthesis and characterization of ionic liquids (ILs) with varying combinations of cations (imidazole, benzimidazole, phosphonium, and ammonium) and anions (HSO4, PTS (p-toluenesulfonate), Cl, H2PO4, SnCl3, FeCl4, and CuCl3) for the depolymerization of lignin into low-molecular weight aromatic fractions (\<220 g/mol) under mild reaction conditions (120 degrees C, 1 h, ambient pressure). In a methodical approach, effects of various reaction parameters such as temperature (70-170 degrees C), time (15-360 min), pressure (N-2, 0.5-3 MPa), solvents and substrate, and so forth were studied to achieve best activity. Among all the catalysts, IL with the imidazolium cation and HSO4 as the anion showed best activity (78\% yield). Subsequent to depolymerization, three aromatic monomers (5 wt \% pure vanillin) were isolated using flash column chromatography. These aromatic monomers were characterized using gas chromatography (GC), GC-mass spectrometry, and NMR techniques for their purity. Hammett acidity functions (H-0) of ILs were measured using UV-vis photo-spectroscopy, and values are correlated with lignin depolymerization results. Lignin and tetrahydrofuran-soluble products were thoroughly characterized using assorted physicochemical techniques such as NMR (H-1 and C-13), gel permittivity chromatography, thermogravimetric analysis, and so forth. The catalyst was recycled up to six runs and showed similar results in consecutive reactions.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b03375}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {46310, title = {Lignocellulosic biomass: hurdles and challenges in its valorization}, journal = {Applied Microbiology and Biotechnology}, year = {2019}, type = {Review; Early Access}, abstract = {
Lignocellulosic biomass (LCB) is globally available and sustainable feedstock containing sugar-rich platform that can be converted to biofuels and specialty products through appropriate processing. This review focuses on the efforts required for the development of sustainable and economically viable lignocellulosic biorefinery to produce carbon neutral biofuels along with the specialty chemicals. Sustainable biomass processing is a global challenge that requires the fulfillment of fundamental demands concerning economic efficiency, environmental compatibility, and social responsibility. The key technical challenges in continuous biomass supply and the biological routes for its saccharification with high yields of sugar sources have not been addressed in research programs dealing with biomass processing. Though many R\&D endeavors have directed towards biomass valorization over several decades, the integrated production of biofuels and chemicals still needs optimization from both technical and economical perspectives. None of the current pretreatment methods has advantages over others since their outcomes depend on the type of feedstock, downstream process configuration, and many other factors. Consolidated bio-processing (CBP) involves the use of single or consortium of microbes to deconstruct biomass without pretreatment. The use of new genetic engineering tools for natively cellulolytic microbes would make the CBP process low cost and ecologically friendly. Issues arising with chemical characteristics and rigidity of the biomass structure can be a setback for its viability for biofuel conversion. Integration of functional genomics and system biology with synthetic biology and metabolic engineering undoubtedly led to generation of efficient microbial systems, albeit with limited commercial potential. These efficient microbial systems with new metabolic routes can be exploited for production of commodity chemicals from all the three components of biomass. This paper provides an overview of the challenges that are faced by the processes converting LCB to commodity chemicals with special reference to biofuels.
}, keywords = {Biomass pretreatment, Biomass supply chain, Cellulosic ethanol, Consolidated bio-processing, Lignocellulosic biomass (LCB)}, issn = {0175-7598}, doi = {10.1007/s00253-019-10212-7}, author = {Singhvi, Mamata S. and Gokhale, Digambar V.} } @article {46124, title = {Lipid composition and salt concentration as regulatory factors of the anion selectivity of VDAC studied by coarse-grained molecular dynamics simulations}, journal = {Chemistry and Physics of Lipids}, volume = {220}, year = {2019}, month = {MAY}, pages = {66-76}, type = {Article}, abstract = {
The voltage-dependent anion channel (VDAC) is a mitochondrial outer membrane protein whose fundamental function is to facilitate and regulate the flow of metabolites between the cytosol and the mitochondrial inter membrane space. Using coarse-grained molecular dynamics simulations, we investigated the dependence of VDAC selectivity towards small inorganic anions on two factors: the ionic strength and the lipid composition. In agreement with experimental data we found that VDAC becomes less anion selective with increasing salt concentration due to the screening of a few basic residues that point into the pore lumen. The molecular dynamics simulations provide insight into the regulation mechanism of VDAC selectivity by the composition in the lipid membrane and suggest that the ion distribution is differently modulated by POPE compared to the POPC bilayer. This occurs through the more persistent interactions of acidic residues located at both rims of the beta-barrel with head groups of POPE which in turn impact the electrostatic potential and thereby the selectivity of the pore. This mechanism occurs not only in POPE single component membranes but also in a mixed POPE/POPC bilayer by an enrichment of POPE over POPC lipids on the surface of VDAC. Thus we show here that computationally-in-expensive coarse-grained simulations are able to capture, in a semi-quantitative way, essential features of VDAC anion selectivity and could pave the way toward a molecular level understanding of metabolite transport in natural membranes.
}, keywords = {Coarse-grained molecular, Membrane channel, Protein-lipid interactions, VDAC}, issn = {0009-3084}, doi = {10.1016/j.chemphyslip.2018.11.002}, author = {Van Liefferinge, F. and Krammer, E. -M. and Sengupta, D. and Prevost, M.} } @article {46289, title = {Lithium compounds as single site catalysts for hydroboration of alkenes and alkynes}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {OCT }, pages = {11711-11714}, type = {Article}, abstract = {
The hydroboration of alkenes and alkynes using easily accessible lithium compounds [2,6-di-tert-butyl phenolatelithium (1a) and 1,1 {\textquoteleft} dilithioferrocene (1b)] has been achieved with good yields, high functional group tolerance and excellent chemoselectivity. Deuterium-labeling experiments confirm the cis-addition of pinacolborane. The methodology has been further extended to myrcene, which undergoes selective 4,3-hydroboration. DFT calculations provide insights into the mechanism.
}, issn = {1359-7345}, doi = {10.1039/c9cc05783h}, author = {Bisai, Milan Kumar and Yadav, Sandeep and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {46133, title = {Lithium speciation in the LiPF6/PC electrolyte studied by two dimensional heteronuclear overhauser enhancement and pulse field gradient diffusometry NMR}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {APR}, pages = {9661-9672}, type = {Article}, abstract = {
Electrolytic dissociation of lithium hexafluorophosphate (LiPF6) in the nonaqueous cyclic propylene carbonate (PC) has been investigated in the wide range of concentration (0.05-3.5 M) by Li-7 solution-state nuclear magnetic resonance (NMR) spectroscopy. Two-dimensional heteronuclear Overhauser enhancement spectroscopy NMR experiments have not only enabled the cation solvation and ion-pairing to be directly monitored but additionally evidence anion solvent interaction at higher concentrations (\>1.2 M) of the PC electrolyte. Preliminary analysis of kinetic nOe data has been made to determine site-dependent cross-relaxation rates for the spatial interaction of the solvent with the Li+ cation and the PF6- anion. The concentration dependence of the Li-7 NMR self-diffusion coefficient (D-self), determined using very strong pulsed magnetic field gradients (similar to 1700 Gauss/cm), depicts two breaks to mark the solvation and ion-pairing events in a distinct manner. This in turn has aided the determination of solvent coordination number and average sizes of solvated and ion-paired clusters. Our results indicate that in the contact ion pair (CIP)-dominated electrolyte (\>2 M), lithium-ion mobility across the solvated and ion-paired environments appears to be inhibited which makes the spectral distinction of solvated and ion-paired environments possible. The concentration dependence of the Li-7 NMR spectral and diffusometry data is in striking correspondence with that of bulk conductivity measurements and point to the detrimental effect of CIP aggregates in impeding the ionic conductivity at high salt concentrations. These results have significance in understanding the structure and dynamics of lithium-ion solvates that are ubiquitous in the working environment of a lithium-ion battery.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.8b11599}, author = {Kumar, Vikas and Reddy, R. Ravikanth and Kumar, B. V. N. Phani and Avadhani, Chilukuri V. and Ganapathy, Subramanian and Chandrakumar, Narayanan and Sivaram, Swaminathan} } @article {46074, title = {Magnetic parameters of SrFe12O19 sintered from a mixture of nanocrystalline and micron-sized powders}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {JUL}, pages = {13592-13596}, type = {Article}, abstract = {
Obtaining higher magnetic parameters is essential for high-power sintered strontium ferrite (SrFe12O19) for various applications. A novel approach has been made to improve the magnetic parameters of sintered strontium ferrite by making self-composites from nano and micron-sized powders. Powders with two different weight ratios (50 wt\% nano:50 wt\% micron and 75 wt\% nano:25 wt\% micron) were mixed together, compacted and sintered at 1200 degrees C for 1 h. For a self-composite of 75 wt\% nano and 25 wt\% micron-sized powders, coercivity (H-c) of 3076 Oe has been obtained, larger than the values for the sintered compacts from the component powders. The present study suggests that the magnetic parameters of sintered SrFe12O19 can be improved by making self-composite comprising of nanocrystalline and micron-sized powders.
}, keywords = {Ceramics, Magnetic materials, microstructures, Self-composites, strontium ferrite}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.04.023}, author = {Shashanka, H. M. and Anantharamaiah, P. N. and Joy, P. A.} } @article {46008, title = {Magnetic properties of sintered CoFe2O4-BaTiO3 particulate magnetoelectric composites}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {JUN}, pages = {12307-12311}, type = {Article}, abstract = {
The magnetic properties of sintered particulate magnetoelectric CoFe2O4 - BaTiO3 composites have been studied. The particulate composites are sintered in the temperature range 1000-1300 degrees C, for a short duration of 10 min. The magnetic transition temperature (T-c) of CoFe2O4 is found to decrease with increasing the sintering temperature and sintering time, as well as on increasing the BaTiO3 content in the composites. Similarly, a reduced saturation magnetization at room temperature, compared to that expected for the CoFe2O4 content, is also observed. Powder X-ray diffraction studies showed the presence of the impurity phase related to the hexagonal ferrite BaFe12O19 in all the composites. Ba2Fe2Ti4O13 is observed as a second impurity phase in the BaTiO3 - rich composites. The present studies suggest that the composition of the piezomagnetic (CoFe2O4) phase in the CoFe2O4 - BaTiO3 magnetoelectric composite is affected during the sintering process.
}, keywords = {composites, magnetic properties, Sintering}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.03.145}, author = {Mohan, S. and Joy, P. A.} } @article {46085, title = {Manganese-catalyzed direct C-C coupling of -C-H bonds of amides and esters with alcohols via hydrogen autotransfer}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {JUN }, pages = {7094-7099}, type = {Article}, abstract = {
Herein we report an efficient manganese-catalyzed C-alkylation of unactivated amides and tert-butyl acetate using alcohols as alkylating agents. This elegant approach exhibits a broad substrate scope providing the C-C coupled products of amides via a hydrogen auto-transfer strategy using aryl, heteroaryl, and aliphatic alcohols.
}, issn = {1477-9226}, doi = {10.1039/c8dt05020a}, author = {Rana, Jagannath and Gupta, Virendrakumar and Balaraman, Ekambaram} } @article {46006, title = {Mapping fusogenicity of ciprofloxacin-loaded liposomes with bacterial cells}, journal = {AAPS Pharmscitech}, volume = {20}, year = {2019}, month = {JUL}, pages = {180}, type = {Article}, abstract = {
The process of liposome fusion with cellular membrane plays key role in delivering encapsulated drug molecule into the cell. This process becomes very important for molecules having low permeability as they fail to reach the site of action located inside the cell. Ciprofloxacin (CIP), a broad-spectrum BCS class IV antibiotic, has poor permeability. In the present work, CIP-loaded liposomes were prepared using solvent evaporation method and optimized by 3(2) factorial design approach. The optimized batch of CIP-loaded liposomes was characterized for size, entrapment efficiency, zeta potential, FTIR, and microbial susceptibility study on Staphylococcus aureus (gram-positive bacteria) and Escherichia coli (gram-negative bacteria). Confocal microscopy was used to study the fusogenicity process of CIP-loaded liposomes with bacterial cells. Additionally, the kinetics of fusogenicity process was studied using SAXS for the first time. Surprisingly, the rate of fusion of CIP-loaded liposomes with cell wall of S. aureus was twice when compared to the cell wall of E. coli. It is believed that the current work can act as a roadmap in selection of proper excipients while developing formulations which would expedite the fusogenicity and may execute pharmacological activity of poorly penetrable drug molecules at lower dose.
}, keywords = {ciprofloxacin, confocal microscopy, fusion, liposomes, SAXS}, issn = {1530-9932}, doi = {10.1208/s12249-019-1381-4}, author = {Patil, Runali and Torris, Arun and Bhat, Suresh and Patil, Sharvil} } @article {46119, title = {Mechanistic insights into enzymatic catalysis by trehalase from the insect gut endosymbiont Enterobacter cloacae}, journal = {FEBS Journal}, volume = {286}, year = {2019}, month = {MAY}, pages = {1700-1716}, type = {Article}, abstract = {
Energy metabolism in the diamondback moth Plutella xylostella is facilitated by trehalase, an enzyme which assists in trehalose hydrolysis, from the predominant gut bacterium Enterobacter cloacae. We report the biochemical and structural characterization of recombinant trehalase from E. cloacae (Px_EclTre). Px_EclTre showed K-M of 1.47 (+/- 0.05) mm, k(cat) of 6254.72 min(-1) and V-max 0.2 (+/- 0.002) mm center dot min(-1) at 55 degrees C and acidic pH. Crystal structures of Px_EclTre were determined in the ligand-free form and bound to the inhibitor Validoxylamine A. The crystal structure of the ligand-free form, unavailable until now for any other bacterial trehalases, enabled us to delineate the conformational changes accompanying ligand binding in trehalases. Multiple salt bridges were identified that potentially facilitated closure of a hood over the substrate-binding site. A cluster of five tryptophans lined the -1 substrate-binding subsite, interacted with crucial active site residues and contributed to both trehalase activity and stability. The importance of these residues in enzyme activity was further validated by mutagenesis studies. Many of these identified residues form part of signature motifs and other conserved sequences in trehalases. The structure analysis thus led to the assignment of the functional role to these conserved residues. This information can be further explored for the design of effective inhibitors against trehalases.
}, keywords = {Enterobacter cloacae, Plutella xylostella, structural analysis, trehalase, validoxylamine A}, issn = {1742-464X}, doi = {10.1111/febs.14760}, author = {Adhav, Anmol and Harne, Shrikant and Bhide, Amey and Giri, Ashok and Gayathri, Pananghat and Joshi, Rakesh} } @article {46320, title = {Mechanistic insights into the pathways of phenol hydrogenation on Pd nanostructures}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {OCT}, pages = {17126-17136}, type = {Article}, abstract = {
Product selectivity in aqueous phase phenol hydrogenation on well-defined supported Pd nanostructures (spheres, cubes, and octahedra) was studied using defined experiments and density functional theory (DFT) simulations. On Pd spheres and octahedra, the reaction initially showed high selectivity (in the first 3 h, at 363 K and 5 bar H-2 pressure) toward the partially hydrogenated product cyclohexanone. On prolonged operation (\>20 h of reaction time), a shift in the product selectivity (up to 100\%) toward the completely hydrogenated product cyclohexanol was observed on Pd spheres and octahedra. In contrast, the reaction on Pd cubes, which only had {100} facets, showed a high selectivity (similar to 90\%) toward the product cyclohexanone even after 40 h, at the same reaction conditions. Since the {111} facets are expected to be the majority sites on a spherical particle, we attribute the selectivity trend observed on spherical Pd particles to be primarily controlled by the selectivity trend on the Pd{111} facets. This observation was further confirmed on performing the hydrogenation reaction on a mixture of Pd cube and Pd octahedron particles in a ratio of 25:75 (representing the site ratio of a spherical particle). DFT simulations provided a mechanistic insight into the reactivity of the two different facets ({100} and {111}) toward phenol hydrogenation. The calculations revealed that the selectivity significantly depended on the activation barriers involved in cyclohexanone hydrogenation on the Pd{111} facets (77 and 57 kJ/mol) as compared to those on the Pd{100} facets (97 and 101 kJ/mol).
}, keywords = {Cyclohexanol, cyclohexanone, facet-dependent reactivity, phenol hydrogenation}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.9b03392}, author = {Porwa, Govind and Gupta, Shelaka and Sreedhala, S. and Elizabeth, Joes and Ithan, Tuhin Suvra and Haider, M. Ali and Vinod, C. P.} } @article {46356, title = {Medium modulated oxygen reduction activity of Fe/Co active centre-engrafted electrocatalysts}, journal = {ChemElectroChem}, volume = {6}, year = {2019}, month = {JUN }, pages = {2956-2964}, type = {Article}, abstract = {
Iron and cobalt metal atoms are effective active centers for the synthesis of carbon-based noble-metal-free catalysts for the oxygen reduction reaction (ORR) owing to their cost-effective intrinsic activity and tunable properties. Annealing of the active center with the conducting carbon enhances the ORR activity significantly. Herein, we have engrafted Fe and Co active centers in the homemade conducting carbon and the ORR performance has been closely observed under acidic and basic pH conditions to understand the influence of the medium and participating moieties towards the performance. In the half-cell reaction, the onset potential and half-wave potential for ORR are governed by the surface intermediates and concomitantly driven by the adsorption energies of the intermediates over the active centers. The iron and cobalt active center-engrafted carbon catalyst behaves differently in acidic and basic electrolytes owing to the dissociation of the surface intermediates. The iron-based catalyst shows improved onset potential against the cobalt-based one. Similarly, the cobalt-based catalyst shows improved half-wave potential against the iron active-center-grafted catalyst. The combined synergistic effect of the two catalysts is realized in the composition represented as Fe/2Co-N-GVC, where improved onset and half-wave potentials are noted in basic medium. A significant variation in the activity of the catalyst is observed as the medium changes from acidic to basic and the effect is directly associated with the surface adsorption of the intermediates.
}, keywords = {active centers, half-wave potential, Mechanism, oxygen reduction reaction, transition state}, issn = {2196-0216}, doi = {10.1002/celc.201900260}, author = {Kashyap, Varchaswal and Anand, Aljo and Soni, Roby and Sreekumar, Kurungot} } @article {46443, title = {Metabolomic dynamics reveals oxidative stress in spongy tissue disorder during ripening of mangifera indica l. fruit}, journal = {Metabolites}, volume = {9}, year = {2019}, month = {NOV}, pages = {255}, type = {Article}, abstract = {
Spongy tissue disorder, a mesocarp specific malady, severely affects the flavor and pulp characters of Alphonso mango fruit reducing its consumer acceptability. Here, we investigated comparative metabolomic changes that occur during ripening in healthy and spongy tissue-affected fruits using high resolution mass spectrometric analysis. During the spongy tissue formation, 46 metabolites were identified to be differentially accumulated. These putative metabolites belong to various primary and secondary metabolic pathways potentially involved in maintaining the quality of the fruit. Analysis revealed metabolic variations in tricarboxylic acid cycle and gamma amino butyric acid shunt generating reactive oxygen species, which causes stressed conditions inside the mesocarp. Further, reduced levels of antioxidants and enzymes dissipating reactive oxygen species in mesocarp deteriorate the fruit physiology. This oxidative stress all along affects the level of amino acids, sugars and enzymes responsible for flavor generation in the fruit. Our results provide metabolic insights into spongy tissue development in ripening Alphonso mango fruit.
}, keywords = {gamma amino butyric acid shunt, mango metabolomics, Oxidative stress, spongy tissue disorder, tricarboxylic acid cycle}, doi = {10.3390/metabo9110255}, author = {Oak, Pranjali and Deshpande, Ashish and Giri, Ashok and Gupta, Vidya} } @article {46005, title = {Metagenomic insights to understand transient influence of Yamuna River on taxonomic and functional aspects of bacterial and archaeal communities of River Ganges}, journal = {Science of the Total Environment}, volume = {674}, year = {2019}, month = {JUL}, pages = {288-299}, type = {Article}, abstract = {
River confluences are interesting ecosystems to investigate for their microbial community structure and functional potentials. River Ganges is one of the most important and holy river of India with great mythological history and religious significance. The Yamuna River meets Ganges at the Prayagraj (formerly known as Allahabad), India to form a unique confluence. The influence of Yamuna River on taxonomic and functional aspects of microbiome at this confluence and its downstream, remains unexplored. To unveil this dearth, whole metagenome sequencing of the microbial (bacterial and archaeal) community from the sediment samples of December 2017 sampling expedition was executed using high throughput MinION technology. Results revealed differences in the relative abundance of bacterial and archaeal communities across the confluence. Grouped by the confluence, a higher abundance of Proteobacteria and lower abundance of Bacteroidetes and Firnacutes was observed for Yamuna River (G15Y) and at immediate downstream of confluence of Ganges (G15DS), as compared to the upstream, confluence, and farther downstream of confluence. A similar trend was observed for archaeal communities with a higher abundance of Euryarchaeoto in G15Y and G15DS, indicating Yamuna River{\textquoteright}s influence. Functional gene(s) analysis revealed the influence of Yamuna River on xenobiotic degradation, resistance to toxic compounds, and antibiotic resistance interceded by the autochthonous microbes at the confluence and succeeding downstream locations. Overall, similar taxonomic and functional profiles of microbial communities before confluence (upstream of Ganges) and farther downstream of confluence, suggested a transient influence of Yamuna River. Our study is significant since it may be foundational basis to understand impact of Yamuna River and also rare event of mass bathing on the microbiome of River Ganges. Further investigation would be required to understand, the underlying cause behind the restoration of microbial profiles post-confluence farther zone, to unravel the rejuvenation aspects of this unique ecosystem. (C) 2019 Elsevier B.A. All rights reserved.
}, keywords = {Confluence zone, Ganges, Metagenomics, Transient influence, Yamuna}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2019.04.166}, author = {Samson, Rachel and Shah, Manan and Yadav, Rakeshkumar and Sarode, Priyanka and Rajput, Vinay and Dastager, Syed G. and Dharne, Mahesh S. and Khairnar, Krishna} } @article {46157, title = {Metal-free, radical 1,6-conjugated addition of cyclic ethers with para-quinone methides (p-QMs)}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {MAR}, pages = {3239-3248}, type = {Article}, abstract = {
An efficient method for metal-free C-C bond formation between p-quinone methides (p-QMs) and cyclic ethers via a radical pathway to afford substituted diarylmethanes and triarylmethanes or to effect the -alkylation of the cyclic ethers has been developed. Also, the synthesis of 3,3-disubstituted oxindoles with stereogenic quaternary carbon centers was successfully achieved under mild reaction conditions.
}, issn = {1477-0520}, doi = {10.1039/c9ob00127a}, author = {More, Satish G. and Suryavanshi, Gurunath} } @article {46194, title = {Metal-free regioselective cross dehydrogenative coupling of cyclic ethers and aryl carbonyls}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {FEB }, pages = {2039-2047}, type = {Article}, abstract = {
A highly regioselective, efficient, and metal-free oxidative cross dehydrogenative coupling (CDC) of aryl carbonyls with cyclic ethers has been developed. This method offers easy access to substituted alpha-arylated cyclic ethers with a high functional group tolerance in good to excellent yields. The regioselectivity of this CDC reaction was confirmed by density functional theory (DFT)-based calculations.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b03048}, author = {Mane, Kishor D. and Mukherjee, Anagh and Vanka, Kumar and Suryavanshi, Gurunath} } @article {46224, title = {Methane hydrate dissociation in the presence of novel benign additives}, journal = {Energy Procedia}, volume = {158}, year = {2019}, pages = {5856 - 5865}, abstract = {
The apparent drawbacks of the classical approaches towards dissociation of natural gas hydrates have resulted in a paradigm shift into the development of new hybrid hydrate dissociation practices combining the various basic hydrate dissociation techniques. Another approach that can be followed to maximize the efficiency of gas production from natural gas hydrate reserves is the identification of benign additives which when used even in sparingly small concentrations may enhance the kinetics of hydrate dissociation. In the present work, a class of such additives, never reported before, have been unveiled and christened as Low Dosage Hydrate Dissociation Promoters (LHDPs). The additives were first short listed from a wide potential pool using a lab scale ( 250 ml) stirred tank reactor setup and then further studied using a bench scale ( 2.35 l) reactor setup where they were injected in the form of a water-additive stream to dissociate hydrates. The dissociation approach followed in the case of the bench scale reactor experiments was a combination of the thermal stimulation and depressurization processes along with the element of injection of additives. For both sets of experiments (lab and bench scale), the newly identified LHDPs were found to enhance the kinetics of methane hydrate dissociation as compared to pure water. It was observed that concentration of additive and its flow rate also affect the kinetics of methane hydrate dissociation. An energy and efficiency analysis for the hydrate dissociation method in the case of bench scale rector revealed that additive presence enhanced the energy ratio and thermal efficiency four fold as compared to pure water.
}, keywords = {Depressurization, Dissociation, Energy Ratio, kinetics, LHDP, methane hydrate, Thermal Efficiency, thermal stimulation}, issn = {1876-6102}, doi = {https://doi.org/10.1016/j.egypro.2019.01.540}, url = {http://www.sciencedirect.com/science/article/pii/S1876610219305648}, author = {Gaurav Bhattacharjee and Vivek Barmecha and Nilesh Choudhary and Nawal K. Pande and Parivesh Chugh and Rajnish Kumar} } @article {46444, title = {Methane recovery from marine gas hydrates: a bench scale study in presence of low dosage benign additives}, journal = {Applied Energy}, volume = {253}, year = {2019}, month = {NOV }, pages = {113566}, type = {Article; Proceedings Paper}, abstract = {
De-pressurization is one approach which has been found to be economically feasible for methane recovery from marine hydrates. Hydrate dissociation being an endothermic process suggests that de-pressurization alone would not be sufficient and some additional stimulation would be required for sustained production from one such reservoir. Thermal stimulation may overcome the challenge posed by the endothermic dissociation process; however, economically it may not be ideal. A possible way out is to use thermal stimulation, but at relatively low temperatures as compared to conventional practice. This would be economical and can be accomplished in the presence of small doses of additives mixed in with the water stream used for thermal stimulation. In the present study, a number of benign additives were identified which when used in low concentrations enhance the kinetics of methane hydrate dissociation compared to pure water. Additives were first shortlisted from a wide potential pool using quantum mechanical calculations. These additives were later tested for their efficacy in stirred tank reactor to quickly identify the best additives for the job and few selected additives were then studied in a larger bench scale setup (fixed bed configuration) where they were injected in the form of an additive-water stream to dissociate already formed hydrates. Factors such as toxicity of the additive, fluidity of additive-water stream, foam formation on mixing of additive with water, etc. were also taken into account. An energy and efficiency analysis revealed that reported additives enhance the energy ratio and thermal efficiency of the process as compared to pure water stimulation.
}, keywords = {Bench scale, kinetics, Marine hydrate, methane hydrate, Methane recovery, Natural gas hydrate, Process}, issn = {0306-2619}, doi = {10.1016/j.apenergy.2019.113566}, author = {Bhattacharjee, Gaurav and Choudhary, Nilesh and Barmecha, Vivek and Kushwaha, Omkar S. and Pande, Nawal K. and Chugh, Parivesh and Roy, Sudip and Kumar, Rajnish} } @article {46327, title = {Methodology of evaluating sustainability index of a biomass processing enterprise: a case study of native cow dung-urine biorefinery}, journal = {Environmental Science and Pollution Research}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {
Agriculture and its allied sector contribute significantly to the gross domestic product of every country. Several small-scale enterprises engaged in waste biomass processing have been setup recently. Such industrial setups not only help in solving the waste management issues but also play an important role in offering employment at the grass root level generating a significant social impact along with economic advantage to the local entrepreneur. Hence, assessment of such biomass processing enterprise (BPE) based on economic, environment, and social parameters has become necessary. In this paper, a general framework for sustainability assessment is discussed using a case study of cow dung-urine biorefinery as a representative BPE. Real-time data of BPE has been collected for evaluation and a sustainability index (SI) is evaluated using multicriteria decision method. The SI is calculated as per the weightage assigned and value function of the indicator and criteria. The SI for the BPE was observed to be 0.69 for the chosen set of criteria and indicator and weightages. A sensitivity analysis has been performed to check the dependence of the results on the weightages assigned to various criteria and indicators. It was also observed that the results were more sensitive to the indicators having a low value function.
}, keywords = {Indicator analysis, MIVES, Multicriteria decision analysis, Performance evaluation, Sustainability assessment framework}, issn = {0944-1344}, doi = {10.1007/s11356-019-06309-1}, author = {Joglekar, Saurabh N. and Darwai, Vivek and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {46120, title = {Microbacterium enclense sp. nov., isolated from sediment sample (vol 65, pg 2064, 2015)}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {69}, year = {2019}, month = {MAY}, pages = {1528}, type = {Correction}, issn = {1466-5026}, doi = {10.1099/ijsem.0.003331}, author = {Mawlankar, Rahul R. and Mual, Poonam and Sonalkar, Vidya V. and Thorat, Meghana N. and Verma, Ashish and Srinivasan, Krishnamurthi and Dastager, Syed G.} } @article {46272, title = {Microglial priming of antigen presentation and adaptive stimulation in Alzheimer{\textquoteright}s disease}, journal = {Cellular and Molecular Life Sciences}, volume = {76}, year = {2019}, month = {OCT}, pages = {3681-3694}, type = {Review}, abstract = {
The prominent pathological consequences of Alzheimer{\textquoteright}s disease (AD) are the misfolding and mis-sorting of two cellular proteins, amyloid-beta and microtubule-associated protein Tau. The accumulation of toxic phosphorylated Tau inside the neurons induces the increased processing of amyloid-beta-associated signaling cascade and vice versa. Neuroinflammation-driven synaptic depletion and cognitive decline are substantiated by the cross talk of activated microglia and astroglia, leading to neuron degeneration. Microglia are the brain-resident immune effectors that prove their diverse functions in maintaining CNS homeostasis via collaboration with astrocytes and T lymphocytes. Age-related senescence and chronic inflammation activate microglia with increased pro-inflammatory markers, oxidative damage and phagocytosis. But the improper processing of misfolded protein via lysosomal pathway destines the spreading of {\textquoteright}seed{\textquoteright} constituents to the nearby healthy neurons. Primed microglia process and present self-antigen such as amyloid-beta and modified Tau to the infiltrated T lymphocytes through MHC I/II molecules. After an effective conversation with CD4(+) T cells, microglial phenotype can be altered from pro-active M1 to neuro-protective M2 type, which corresponds to the tissue remodeling and homeostasis. In this review, we are focusing on the change in functionality of microglia from innate to adaptive immune response in the context of neuroprotection, which may help in the search of novel immune therapy in AD.
}, doi = {10.1007/s00018-019-03132-2}, author = {Das, Rashmi and Chinnathambi, Subashchandrabose} } @article {46296, title = {Micro-Raman investigations on zirconium oxide film during swift heavy ion irradiation to study crystalline-to-crystalline phase transformation kinetics by cascade overlap model}, journal = {Journal of Applied Physics}, volume = {126}, year = {2019}, month = {JUL}, pages = {025901}, type = {Article}, abstract = {
In situ micro-Raman studies are reported to monitor the evolution of the tetragonal phase in a monoclinic zirconium oxide thin film under swift heavy ion irradiation with increasing ion fluences. Structural changes in the irradiated film are observed as compared to the virgin sample, evident from an evolution of the tetragonal phase beyond critical ion fluence. The interpretation of experimental data allows for an in-depth understanding of irradiation induced stiffening of phonon and crystalline-to-crystalline phase transformation in ZrO2 thin films. Irradiation induced peak broadening and uniform shifting of fundamental Raman modes are observed mainly in the anion (i. e., oxygen atom) dominant frequency region and give a direct indication of the accumulation of structural disorder in the oxygen sublattice of the ZrO2 film. A qualitative approach is followed to understand the kinetics of such a crystalline-to-crystalline phase transformation. Experimental results reveal that the cascade overlap model with the requirement of about six multiple ion impacts provides an excellent fit to data, and the same is further confirmed by x-ray diffraction data. Thus, this study suggests that such in situ studies envisage a better and more authentic insight into the kinetics of phase transformations under similar nonequilibrium conditions.
}, issn = {0021-8979}, doi = {10.1063/1.5090309}, author = {Singh, Fouran and Rawat, Mukesh and Gautam, Subodh K. and Ojha, Sunil} } @article {45610, title = {Microwave-assisted synthesis and antituberculosis screening of Some 4-((3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-l)methyl)benzenamine hybrids}, journal = {Journal of Heterocyclic Chemistry}, volume = {56}, year = {2019}, month = {FEB}, pages = {434-442}, type = {Article}, abstract = {
In the present investigation, a series of 4-((3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methyl)benzenamine analogs 6a{\textendash}o were synthesized and characterized by IR, NMR (1H and 13C), and mass spectra. All newly synthesized compounds 6a{\textendash}o were prepared under conventional and microwave irradiation methods. These compounds obtained in higher yields and in shorter reaction times in the microwave irradiation method when compared with the conventional method. Synthesized compounds 6a{\textendash}o were inspected for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra using an established XTT reduction menadione assay. Among the screened compounds, 6i (IC50: 1.82 μg/mL), 6j (IC50: 1.02 μg/mL), and 6k (IC50: 1.59 μg/mL) showed excellent activity. Furthermore, compound 6i showed MIC90 value of 16.02 μg/mL. In summary, the results indicate the identification of some novel, selective, and specific inhibitors against M. tuberculosis that can be explored further for the potential antitubercular drug.
}, issn = {0022-152X}, doi = {10.1002/jhet.3416}, author = {Patil, Y. and Shingare, R. and Choudhari, A. and Sarkar, D. and Madje, B.} } @article {46313, title = {Mitochondrial cytochrome oxidase C subunit III (cox3) gene as a sensitive and specific target for molecular detection of Babesia gibsoni infection in dogs}, journal = {Experimental Parasitology}, volume = {206}, year = {2019}, month = {NOV}, pages = {107771}, type = {Article}, abstract = {
A PCR targeting mitochondrial cytochrome oxidase subunit III (cox3) for molecular detection of Babesia gibsoni infection in dogs has been developed in this study. Fifty blood samples from suspected clinical cases from dogs, brought to the veterinary college clinics, were examined for presence of B. gibsoni using conventional diagnosis by microscopic examination of Giemsa stained thin blood smears. In addition, species specific PCRs targeting ITS-1 region (BgITS-1 PCR) and nested PCR targeting 18S ribosomal RNA gene (Bg18SnPCR) were carried out. A 634 bp PCR fragment of B. gibsoni cox3 gene was amplified in positive samples from three geographical locations of Satara, Wai and Pune in Maharashtra state of India. From analysis of the sequence of the B. gibsoni cox3 gene, we found that the Indian isolate had 96-98\% similarity to the isolate from Japan and China. Post sequencing, de-novo diagnostic primer pair for species specific amplification of 164 bp fragment of B. gibsoni cox3 was designed and the PCR was standardized. The diagnostic results of de-novo Bgcox3 PCR were compared with BgITS-1 PCR and Bg18S nPCR. Thin blood smears detected 22\% (11/50) samples positive for small form of Babesia species. The BgITS-1 PCR detected 25\% samples (15/50) as positive and Bg18S nPCR detected 80\% (40/50) B. gibsoni positive samples. The de-novo Bgcox3 PCR detected 66\% (33/50) samples positive for B. gibsoni (at 95\% CI). The analytical sensitivity of cox3 PCR was evaluated as 0.000003\% parasitaemia or 09 parasites in 100 mu l of blood. The de-novo diagnostic cox3 PCR did not cross react with control positive DNA from other haemoprotozoa and rickettsia like B. vogeli, Hepatozoon canis, Trypanosoma evansi, Ehrlichia cants and Anaplasma platys. Statistically, cox3 PCR had better diagnostic efficiency than ITS-1 PCR in terms of sensitivity (p = 0.0006). No statistically significant difference between results of cox3 PCR and 18S nPCR was observed (p = 0.1760). Kappa values estimated for each test pair showed fair to moderate agreement between the observations. Specificity of Bgcox3 PCR was 100\% when compared with microscopy or BgITS-1 PCR. Sensitivity of Bgcox3 PCR was 100\% when compared with that of Bg18S nPCR.
}, keywords = {Babesia gibsoni, cox3, Diagnosis, Dog, mitochondria, molecular}, issn = {0014-4894}, doi = {10.1016/j.exppara.2019.107771}, author = {Betgiri, Aishwarya A. and Jadhav, Sameer N. and Pawde, Mrunalini and Shukla, Anurag and Mote, Chandrashekhar and Pawar, Prashant D. and Shanmugam, Dhanasekaran and Kundu, Krishnendu} } @article {46278, title = {MnO2@Fe3O4 Magnetic Nanoparticles as Efficient and Recyclable Heterogeneous Catalyst for Benzylic sp(3) C-H Oxidation}, journal = {Chemistry-An Asian Journal}, year = {2019}, month = {SEP}, type = {Article}, abstract = {
Herein, we report a highly chemoselective and efficient heterogeneous MnO2@Fe3O4 MNP catalyst for the oxidation of benzylic sp(3) C-H group of ethers using TBHP as a green oxidant to afford ester derivatives in high yield under batch/continuous flow module. This catalyst was also effective for the benzylic sp(3) C-H group of methylene derivatives to furnish the ketone in high yield which can be easily integrated into continuous flow condition for scale up. The catalyst is fully characterized by spectroscopic techniques and it was found that 0.424 \% MnO2@Fe3O4 catalyzes the reaction; the magnetic nanoparticles of this catalyst could be easily recovered from the reaction mixture. The recovered catalyst was recycled for twelve cycles without any loss of the catalytic activity. The advantages of MnO2@Fe3O4 MNP are its catalytic activity, easy preparation, recovery, and recyclability, gram scale synthesis with a TOF of up to 14.93 h(-1) and low metal leaching during the reaction.
}, doi = {10.1002/asia.201900810}, author = {Pandey, Akanksha M. and Agalave, Sandip G. and Vinod, Chathakudath P. and Gnanaprakasam, Boopathy} } @article {46241, title = {Molecular and dissociative adsorption of oxygen on au-pd bimetallic clusters: role of composition and spin state of the cluster}, journal = {Acs Omega}, volume = {4}, year = {2019}, month = {JULY}, pages = {12687-12695}, type = {Article}, abstract = {
Utilization of molecular oxygen as an oxidizing agent in industrially important reactions is the ultimate goal to design environmentally benign processes under ambient conditions. However, the high thermal stability and a large O-O dissociation barrier in O-2 molecule pose a great challenge toward its successful application in the oxidative chemistry. To achieve this goal, different catalysts based on monometallic and bimetallic clusters have been developed over the years to promote binding and dissociation of molecular oxygen. The successful design of efficient metal cluster catalysis needs an in-depth knowledge of synergistic effects between different metal atoms and intrinsic catalytic mechanisms for O-2 adsorption and dissociation. Here, we present a systematic theoretical investigation of reaction pathways for O-2 adsorption and dissociation on Au-8, Pd-8, and Au8-nPdn (n = 1-7) nanoclusters in different spin states. The density functional calculations point out that the O-2 dissociation barriers can be significantly reduced with the help of certain bimetallic clusters along specific spin channels. Our results particularly indicate that Au5Pd3 and Au1Pd7 show very large O-2 binding energies of 1.76 and 1.69 eV, respectively. The enhanced O-2 binding subsequently leads to low activation barriers of 0.98 and 1.19 eV along the doublet and quartet spin channels, respectively, without the involvement of any spin flip-over for O-2 dissociation. Furthermore, the computed O-2 dissociation barriers are significantly low as compared to the already reported barriers (1.95-3.65 eV) on monometallic and bimetallic Au-Ag clusters. The results provide key mechanistic insights into the interaction and dissociation of molecular oxygen with Au-Pd clusters, which can prove informative for the design of efficient catalysts for oxidative chemistry involving molecular oxygen as a reactant.
}, doi = {10.1021/acsomega.9b01581}, author = {Dar, Manzoor Ahmad and Krishnamurty, Sailaja} } @article {46329, title = {Molecular basis of drug resistance in smoothened receptor: an in silico study of protein resistivity and specificity}, journal = {Proteins-Structure Function and Bioinformatics}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {
Smoothened (SMO) antagonist Vismodegib effectively inhibits the Hedgehog pathway in proliferating cancer cells. In early stage of treatment, Vismodegib exhibited promising outcomes to regress the tumors cells, but ultimately relapsed due to the drug resistive mutations in SMO mostly occurring before (primary mutations G497W) or after (acquired mutations D473H/Y) anti-SMO therapy. This study investigates the unprecedented insights of structural and functional mechanism hindering the binding of Vismodegib with sensitive and resistant mutant variants of SMO (SMOMut). Along with the basic dynamic understanding of Vismodegib-SMO complexes, network propagation theory based on heat diffusion principles is first time applied here to identify the modules of residues influenced by the individual mutations. The allosteric modulation by GLY497 residue in Vismodegib bound SMO wild-type (SMOWT) conformation depicts the interconnections of intermediate residues of SMO with the atom of Vismodegib and identify two important motifs (E-X-P-L) and (Q-A-N-V-T-I-G) mediating this allosteric regulation. In this study a novel computational framework based on the heat diffusion principle is also developed, which identify significant residues of allosteric site causing drug resistivity in SMOMut. This framework could also be useful for assessing the potential allosteric sites of different other proteins. Moreover, previously reported novel inhibitor {\textquoteleft}{\textquoteleft}ZINC12368305,{\textquoteright}{\textquoteright} which is proven to make an energetically favorable complex with SMOWT is chosen as a control sample to assess the impact of receptor mutation on its binding and subsequently identify the important factors that govern binding disparity between Vismodegib and ZINC12368305 bound SMOWT/Mut conformations.
}, keywords = {allosteric sites, molecular dynamics simulation, Mutation, smoothened receptor, Vismodegib}, issn = {0887-3585}, doi = {10.1002/prot.25830}, author = {Sinha, Noopur and Chowdhury, Saikat and Sarkar, Ram Rup} } @article {46330, title = {Molecular cobalt(II) complexes for tau polymerization in Alzheimer{\textquoteright}s disease}, journal = {ACS Omega }, volume = {4}, year = {2019}, month = {OCT}, pages = {16702-16714}, type = {Article}, abstract = {
Tau is an axonal protein known to form abnormal aggregates and is the biomarker of Alzheimer{\textquoteright}s disease. Metal-based therapeutics for inhibition of Tau aggregation is limited and rarely reported in contemporary science. Here, we report the first example of rationally designed molecular cobalt(II)-complexes for effective inhibition of Tau and disaggregation of preformed Tau fibrils. The mechanistic studies reveal that prevention of Tau aggregation by cobalt-based metal complexes (CBMCs) is concentration-dependent and Tau seldom exhibits conformational changes. Interestingly, CBMCs play dual role in causing disassembly of preformed aggregates as well as inhibition of complete Tau aggregation. Furthermore, CBMCs were nontoxic and maintained the tubulin network intact. CBMCs also prevented okadaic acid-induced toxicity in SH-SY5Y cells thus, preventing hyperphosphorylation of Tau. We believe that this unprecedented finding by the newly developed molecular complexes has a potential toward metal-based therapeutics for Alzheimer{\textquoteright}s disease.
}, issn = {2470-1343}, doi = {10.1021/acsomega.9b00692}, author = {Gorantla, Nalini Vijay and Landge, Vinod G. and Nagaraju, Pramod Gudigenahally and Priyadarshini, Poornima C. G. and Balaraman, Ekambaram and Chinnathambi, Subashchandrabose} } @article {47168, title = {Molecular dynamics study on growth of carbon dioxide and methane hydrate from a seed crystal}, journal = {Chinese Journal of Chemical Engineering}, volume = {27}, year = {2019}, month = {SEP}, pages = {2074-2080}, type = {Article}, abstract = {
In the current work, molecular dynamics simulation is employed to understand the intrinsic growth of carbon dioxide and methane hydrate starting from a seed crystal of methane and carbon dioxide respectively. This comparison was carried out because it has relevance to the recovery of methane gas from natural gas hydrate reservoirs by simultaneously sequestering a greenhouse gas like CO2. The seed crystal of carbon dioxide and methane hydrate was allowed to grow from a super-saturated mixture of carbon dioxide or methane molecules in water respectively. Two different concentrations (1:6 and 1:8.5) of CO2/CH4 molecules per water molecule were chosen based on gas-water composition in hydrate phase. The molecular level growth as a function of time was investigated by all atomistic molecular dynamics simulation under suitable temperature and pressure range which was well above the hydrate stability zone to ensure significantly faster growth kinetics. The concentration of CO2 molecules in water played a significant role in growth kinetics, and it was observed that maximizing the CO2 concentration in the aqueous phase may not result in faster growth of CO2 hydrate. On the contrary, methane hydrate growth was independent of methane molecule concentration in the aqueous phase. We have validated our results by performing experimental work on carbon dioxide hydrate where it was seen that under conditions appropriate for liquid CO2, the growth for carbon dioxide hydrate was very slow in the beginning. (C) 2019 The Chemical Industry and Engineering Society of China, and Chemical Industry Press Co., Ltd. All rights reserved.
}, keywords = {Cage dynamics, CH4 recovery, CO2 sequestration, F-4 order parameter, kinetics, Natural gas hydrate, Thermodynamics}, issn = {1004-9541}, doi = {10.1016/j.cjche.2019.02.006}, author = {Nakate, Prajakta and Ghosh, Bappa and Das, Subhadip and Roy, Sudip and Kumar, Rajnish} } @article {47160, title = {Molecular studies of NAD- and NADP-glutamate dehydrogenases decipher the conundrum of yeast-hypha dimorphism in zygomycete Benjaminiella poitrasii}, journal = {Fems Yeast Research}, volume = {19}, year = {2019}, month = {DEC}, pages = {foz074}, type = {Article}, abstract = {
Benjaminiella poitrasii, a zygomycete, shows glucose- and temperature-dependent yeast (Y)-hypha (H) dimorphic transition. Earlier, we reported the biochemical correlation of relative proportion of NAD- and NADP-glutamate dehydrogenases (GDHs) with Y-H transition. Further, we observed the presence of one NAD-GDH and two form-specific NADP-GDH isoenzymes in B. poitrasii. However, molecular studies are necessary to elucidate the explicit role of GDHs in regulating Y-H reversible transition. Here, we report the isolation and characterization of one NAD (BpNADGDH, 2.643 kb) and two separate genes, BpNADPGDH I (Y-form specific, 1.365 kb) and BpNADPGDH II (H-form specific, 1.368 kb) coding for NADP-GDH isoenzymes in B. poitrasii. The transcriptional profiling during Y-H transition showed higher BpNADPGDH I expression in Y cells while expression of BpNADPGDH II was higher in H cells. Moreover, the yeast-form monomorphic mutant (Y-5) did not show BpNADPGDH II expression under normal dimorphism triggering conditions. Transformation with H-form specific BpNADPGDH II induced the germ tube formation in Y-5, which confirmed the cause-effect relationship between BpNADPGDH genes and morphological outcome in B. poitrasii. Interestingly, expression of H-form specific BpNADPGDH II also induced germ tube formation in human pathogenic, non-dimorphic yeast Candida glabrata, which further corroborated our findings.
}, keywords = {Benjaminiella poitrasii, Candida glabrata, differential gene expression, dimorphism, monomorphic mutant, NAD/NADP-glutamate dehydrogenase, yeast-hypha transition}, issn = {1567-1356}, doi = {10.1093/femsyr/foz074}, author = {Pathan, Ejaj K. and Ghormade, Vandana and Panwar, Sneh Lata and Prasad, Rajendra and Deshpande, Mukund V.} } @article {46250, title = { Molybdenum carbide catalyst for the reduction of CO2 to CO: surface science aspects by NAPPES and catalysis studies }, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {AUG}, pages = {12199-12209}, type = {Article}, abstract = {
Carbon dioxide is a greenhouse gas, and needs to be converted into one of the useful feedstocks, such as carbon monoxide and methanol. We demonstrate the reduction of CO2 with H-2 as a reducing agent, via a reverse water gas shift (RWGS) reaction, by using a potential and low cost Mo2C catalyst. Mo2C was evaluated for CO2 hydrogenation at ambient pressure as a function of temperature, and CO2 : H-2 ratio at a gas hourly space velocity (GHSV) of 20 000 h(-1). It is demonstrated that the Mo2C catalyst with 1 : 3 ratio of CO2 : H-2 is highly active (58\% CO2 conversion) and selective (62\%) towards CO at 723 K at ambient pressure. Both properties (basicity and redox properties) and high catalytic activity observed with Mo2C around 700 K correlate well and indicate a strong synergy among them towards CO2 activation. X-ray diffraction and Raman analysis show that the Mo2C catalyst remains in the beta-Mo2C form before and after the reaction. The mechanistic aspects of the RWGS reaction were determined by near-ambient pressure X-ray photoelectron spectroscopy (NAPXPS) with in situ generated Mo2C from carburization of Mo-metal foil. NAPXPS measurements were carried out at near ambient pressure (0.1 mbar) and various temperatures. Throughout the reaction, no significant changes in the Mo2+ oxidation state (of Mo2C) were observed indicating that the catalyst is highly stable; C and O 1s spectral results indicate the oxycarbide species as an active intermediate for RWGS. A good correlation is observed between catalytic activity from atmospheric pressure reactors and the electronic structure details derived from NAPXPS results, which establishes the structure-activity correlation.
}, doi = {10.1039/c9dt01774g}, author = {Reddy, Kasala Prabhakar and Dama, Srikanth and Mhamane, Nitin B. and Ghosalya, Manoj K. and Raja, Thirumalaiswamy and Satyanarayana, Chilukuri V. and Gopinath, Chinnakonda S.} } @article {47473, title = {Morphological and molecular characterization of Penicillium rubens sp.nov isolated from poultry feed}, journal = {Indian Phytopathology}, volume = {72}, year = {2019}, month = {SEP}, pages = {461{\textendash}478}, type = {Article}, abstract = {Fungi are the second largest group of eukaryotic organisms, estimates ranging from 2.2 to 3.8 million and 120,000 currently accepted species. Unfortunately, identification of Penicillium species is an overwhelming task even for taxonomic experts. In the current study, we isolated identified and morphologically characterized Penicillium rubens strain NCIM-1397. Molecular characterization of P. rubens by multilocus sequence analysis (MLSA) of internal transcribed spacer (ITS) region, β-tubulin (BenA), calmodulin (CaM), NL (D1/D2 region) and LR (large subunit region) gene. Conversely, BenA gene differentiated P. rubens from P. chrysogenum. Moreover, Vitek MS, Matrix-assisted laser desorption ionization{\textendash}time of flight mass spectrometer (MALDI-TOF{\textendash}MS) failed to discriminate to strain level. Metabolic profiling of P. rubens enable to produce roquefortine C, chrysogine, meleagrine, sorbicillin and non-producers for industrially important metabolite, penicillin determined by LC{\textendash}MS. Even, In addition, even molecular detection of penicillin biosynthetic pathway genes, PcbC, PenDE and Phl were negative by PCR. Nevertheless, P. rubens showed 90{\textendash}100\% toxicity/pathogenicity on seed germination of sorghum (Sorghum bicolor) and no further development of coleoptiles, radicle and leaf length observed. Also, it showed non-toxic to animal cell determined on Human foreskin fibroblast (HFF) cell line by In-Vitro.}, doi = {10.1007/s42360-019-00165-2}, author = {Sawant, Amol M. and Vankudoth, Ramu and Navale, Vishwambar and Kumavat, Rajkamal and Kumari, Prabla and Santhakumari, B. and Vamkudoth, Koteswara Rao} } @article {47152, title = {Morphology of ammonium perchlorate in the presence of ethylene glycol as an additive: a first principle study}, journal = {Crystengcomm}, volume = {21}, year = {2019}, month = {DEC}, pages = {7519-7527}, type = {Article}, abstract = {
Ammonium perchlorate (AP) is an extensively used crystalline oxidizer in high energy materials and their compositions. A desired morphology of AP is crucial for the high burn rates of solid propellants. We have examined the habit modification of AP crystals in the absence and presence of ethylene glycol as an impurity by means of important parameters such as interaction and surface energies to predict the resultant morphology. On the basis of first principles density functional theory (DFT) calculations of the binding and surface energies before and after the adsorption of the surface-capping agent (ethylene glycol) on the AP surfaces, we have shown that the relative stability of all the important surfaces (100), (101), (011), (001) and (210) rationalize the habit modification of AP crystals. In accordance with the surface energy calculations, the stability order of the five crystallographic surfaces of AP was found to be (001) \> (210) \> (101) \> (100) \> (011) in the absence of additive molecules, i.e., in the clean surfaces. This result is in concurrence with the fact that AP crystals richly contain (001) planes when grown in the absence of an additive. The computational methodology applied for the determination of surface energies was found to be reliable as it has well reproduced the stability trend of AP surfaces. However, the trend, (210) \> (001) \> (101) \> (011) \> (100), was observed when these surfaces were capped with a known additive molecule, i.e., ethylene glycol. The crystal habit of AP in the presence of ethylene glycol is such that the intensity of the lattice plane (2 1 0) of the modified AP was remarkably high leading to the shape of hexahedral, which is in excellent agreement with the experimental results. A linear fit correlation was also observed between surface energies and interaction energy values for the additive adsorbed AP surfaces.
}, issn = {1466-8033}, doi = {10.1039/c9ce01262a}, author = {Khan, Md Abdul Shafeeuulla and Vijayalakshmi, R. and Singh, Avtar and Nandi, Amiya Kumar and Talawar, M. B.} } @article {46135, title = {Morphology-dependent, green, and selective catalytic styrene oxidation on Co3O4}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {APR }, pages = {4574-4581}, type = {Article}, abstract = {
Despite the great successes in the controlled fabrication of nanomaterials with specific composition and morphology, it is still challenging to have the desired control on the defect sites of catalyst materials. For unfolding the mystery of this aspect, catalytic styrene epoxidation was attempted on spinel Co3O4 with two different morphologies, namely, SNR (nanorods prepared by the solvothermal method with the (110) facet), HNR (nanorods prepared by the hydrothermal methodwith the (111) facet) and NC (nanocubes with the (110) facet) were synthesized and subjected to olefin oxidation with O-2. Even without any catalyst pretreatment, all three Co3O4 catalyst systems were found to be active for selective epoxidation of styrene with O-2 at ambient pressure in the liquid phase. The correlation between catalytic activity and selectivity trend suggests that the reaction is highly structure-sensitive and facile on the (110) facet. Temperature-dependent near ambient pressure X-ray photoelectron spectroscopy (NAPXPS) was carried out at 0.1 mbar O-2 pressure to understand the mechanistic aspects. The distinct catalytic activity of NC (110) and SNR (110) can be attributed to the population of defect sites on the catalyst surface. NC morphology with comparatively fewer defect sites shows high activity and selectivity, suggesting that styrene oxidation on Co3O4 is structure-sensitive; however, unlike metal surfaces, fewer defects are more favourable for catalytic styrene epoxidation due to facile adsorption and activation of the substrate and O-2 on Co3+ sites. The present investigations suggest that surface defects need not necessarily increase catalytic activity.
}, issn = {1477-9226}, doi = {10.1039/c8dt05154b}, author = {Jain, Ruchi and Gopinath, Chinnakonda S.} } @article {46052, title = {[MoS4](2-)-Intercalated NiCo-layered double hydroxide nanospikes: an efficiently synergized material for urine to direct H-2 generation}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {JUL }, pages = {25917-25927}, type = {Article}, abstract = {
Substituting the energy-uphill water oxidation half-cell with readily oxidizable urea-rich urine, a ground-breaking bridge is constructed, combining the energy-efficient hydrogen generation and environmental 6 protection. Hence, designing a robust multifunctional electrocatalyst is desirable for widespread implementation of this waste to fuel technology. In this context, here, we report a simple tuning of the electrocatalytically favorable characteristics of NiCo-layered double hydroxide by introducing [MoS4]2- in its interlayer space. The [MoS4]{\textquoteright} insertion as well as its effect on the electronic structure tuning is thoroughly studied via X-ray photoelectron spectroscopy in combination with electrochemical analysis. This insertion induces overall electronic structure tuning of the hydroxide layer in such a way that the designed catalyst exhibited favorable kinetics toward all the required reactions of hydrogen generation. This is why our homemade catalyst, when utilized both as a cathode and anode to fabricate a urea electrolyzer, required a mere X1.37 V cell potential to generate sufficient H2 by reaching the benchmark 10 mA cm-2 in 1 M KOH/0.33 M urea along with long-lasting catalytic efficiency. Other indispensable reason of selecting [MoS4]2- is its high-valent nature making the catalyst highly selective and insensitive to common catalyst-poisoning toxins of urine. This is experimentally supported by performing the real urine electrolysis, where the nanospike-covered Ni foam-based catalyst showed a performance similar to that of synthetic urea, offering its industrial value. Other intuition of selecting [MoS4]2- was to provide a ligand-based mechanism for hydrogen evolution half-cell [hydrogen evolution reaction (HER)] to preclude the HER-competing oxygen reduction. Another crucial point of our work is its potential to avoid the mixing of two explosive product gases, that is, H2 and O-2.
}, keywords = {hydrogen evolution reaction, Layered double hydroxide, nickel oxyhydroxide, sewage denitrification, urea oxidation reaction, urine/urea electrolysis}, issn = {1944-8244}, doi = {10.1021/acsami.9b06545}, author = {Nadeema, Ayasha and Kashyap, Varchaswal and Gururaj, Rakshitha and Kurungot, Sreekumar} } @article {45621, title = {Multimodal chromatography for purification of biotherapeutics - a review.}, journal = {Current Protein and Peptide Science}, volume = {20}, year = {2019}, month = {JAN}, pages = {4-13}, type = {Article}, abstract = {Process chromatography forms the core of purification of biotherapeutics. The unparalleled selectivity that it offers over other alternatives combined with the considerable robustness and scalability make it the unit operation of choice in downstream processing. It is typical to have three to five chromatography steps in a purification process for a biotherapeutic. Generally, these steps offer different modes of separation such as ion-exchange, reversed phase, size exclusion, and hydrophobic interaction. In the past decade, multimodal chromatography has emerged as an alternative to the traditional modes. It involves use of more than one mode of separation and typically combines ion-exchange and hydrophobic interactions to achieve selectivity and sensitivity. Over the last decade, numerous authors have demonstrated the significant potential that multimode chromatography offers as a protein purification tool. This review aims to present key recent developments that have occurred on this topic together with a perspective on future applications of multimodal chromatography.}, doi = {10.2174/1389203718666171020103559}, author = {Halan, V. and Maity, S. and Bhambure, R. and Rathore, A. S.} } @article {46038, title = {MWCNTs-ZnO-SiO2 mesoporous nano-hybrid materials for CO2 capture}, journal = {Journal of Alloys and Compounds}, volume = {800}, year = {2019}, month = {SEP}, pages = {279-285}, type = {Article}, abstract = {
Carbon nanostructures and metal nanoparticles based nanohybrid materials have been established as one of advantageous materials for various applications. Here, we present hydrothermal and sol-gel process at low temperature for the synthesis of (3-Aminopropyl) triethoxysilane (APTES)-ZnO-multi-walled carbon nanotubes (MWCNTs) mesoporous nanohybrid materials. TEM and XPS measurements show that uniform size and quasi-spherical ZnO nanoparticles were anchored to the surface of the MWCNTs. SEM observation exhibits that the aggregation of ZnO nanoparticles is greatly reduced due to the steric repulsion of grafted organic groups. The maximum CO2 adsorption capacity at 273 K was 1.32 mmol/g for MWCNTs-APTES-ZnO-B nanohybrid. An increase in the density of ZnO nanoparticles on the surface of MWCNTs resulted in a higher affinity towards CO2 at low pressure. This work provides new research directions for making further advances toward practical utilization of MWCNTs-based CO2 adsorbents. (C) 2019 Published by Elsevier B.V.
}, keywords = {CO2 capture, Mesoporous, MWCNTs, Nanohybrid, TEM, XPS}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2019.06.011}, author = {Jena, Kishore K. and Panda, Amulya Prasad and Verma, Savita and Mani, Ganesh Kumar and Swain, S. K. and Alhassan, Saeed M.} } @inbook {47478, title = {Nanobased intravenous and transdermal drug delivery systems}, booktitle = {Applications of Targeted Nano Drugs and Delivery Systems}, number = {Nanoscience and Nanotechnology in Drug Delivery Micro and Nano Technologies}, year = {2019}, pages = {551-594}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {In this chapter we bring in the collective information about intravenous and transdermal nano drug delivery systems (DDSs), which include different kinds of constituents used for the design of nano DDSs, their various forms, methods, and characterization of nanoformulations. }, doi = {10.1016/B978-0-12-814029-1.00019-3}, author = {Gundloori, Rathna V. N. and Singam, Amarnath and Killi, Naresh} } @inbook {47479, title = {Nanobiopesticide perspectives for protection and nutrition of plants}, booktitle = {Nano-Biopesticides Today and Future Perspectives}, year = {2019}, pages = {47-68}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {Presently, the actual utilization of pesticides on the target is < 0.1\% due to spray drift, rainwater leaching, etc., which makes pesticide usage inefficient. Therefore, in the agriculture scenario, the use of nanobiopesticides for ease of application, targeted delivery and a reduction in the load of pesticides, and protection of microbial diversity is holding significant promise. The nanomaterials in sensors and biosensors help in miniaturization, the real-time measurement of more variables present in low quantities, and early detection of pests and pathogens. The metal and metal oxide nanoparticles play significant roles in biopesticide degradation. However, one has to address issues related to associated risks to crop health, soil microbial diversity, and mankind due to such nano-based products. Accordingly, formulation of regulatory guidelines for their use also becomes an important component of the strategy.}, doi = {10.1016/B978-0-12-815829-6.00003-6}, author = {Deshpande, Mukund V.} } @article {47170, title = {Nanocellulose reinforced polymer composites as flexible mechanical energy harvesters}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {258}, year = {2019}, month = {AUG}, type = {Meeting Abstract}, issn = {0065-7727}, author = {Shanmuganathan, Kadhiravan and Ram, Farsa} } @article {45615, title = {Nanoparticles based adsorbent for removal of arsenic from aqueous solution}, journal = {Asian Journal of Water, Environment and Pollution}, volume = {16}, year = {2019}, month = {JAN}, pages = {97-103}, type = {Article}, abstract = {Arsenic is a metalloid which poses a risk on water quality, a severe health problem for human and serious impact on environment. Occurrence of arsenic in natural environment may be due to natural processes or due to anthropogenic activities. Removal of arsenic can be done by many different techniques like adsorption, precipitation, flotation, ion exchange etc. Among them adsorption is widely used for removal of heavy metals from water due to its simplicity; also it{\textquoteright}s cost effective. The aim of the study is to evaluate the potential of nanoadsorbent for arsenic removal. A number of potent adsorbent have been developed from metal, carbon and oxide based nanoparticle for enhancing the adsorption capacity and removal capacity of arsenic from aqueous solution. A short overview of nanoadsorbent for arsenic removal from aqueous solution has been discussed in this review article.}, doi = {10.3233/AJW190011}, author = {Srivastava, A. and Selvaraj, K. and Prasad, K. S.} } @article {45535, title = {Nature of electrophilic oxygen: insights from periodic density functional theory investigations}, journal = {Surface Science}, volume = {679}, year = {2019}, month = {JAN}, pages = {188-195}, type = {Article}, abstract = {
Increasing demand of ethylene oxide and the cost of versatile chemical ethene has been a driving force for understanding mechanism of epoxidation to develop highly selective catalytic process. Direct epoxidation is a proposed mechanism which in theory provides 100\% selectivity. A key aspect of this mechanism is an electrophilic oxygen (O-ele) species forming on the Ag surface. In the past two and half decades, large number of theoretical and experimental investigations have tried to elucidate formation of O-ele, on Ag surface with little success. Equipped with this rich literature on Ag-O interactions, we investigate the same using periodic DFT calculations to further understand how silver surface and oxygen interact with each other from a chemical standpoint. Based on energetics, Lowdin charges, topologies and pdos data described in this study, we scrutinize the established notions of O-ele. Our study provides no evidence in support of O-ele, being an atomic species nor a diatomic molecular species. In fact, a triatomic molecular species described in this work bears multiple signatures which are very convincing evidence for considering it as the most sought for electrophilic entity.
}, keywords = {Ag(100), DFT, Electrophilic, epoxidation, Nucleophilic oxygen}, issn = {0039-6028}, doi = {10.1016/j.susc.2018.09.009}, author = {Kenge, Nivedita and Pitale, Sameer and Joshi, Kavita} } @article {46173, title = {Negative axicon tip-based fiber optic interferometer cavity sensor for volatile gas sensing}, journal = {Optics Express}, volume = {27}, year = {2019}, month = {MAR }, pages = {7277-7290}, type = {Article}, abstract = {
In this research work we demonstrated negative axicon optical fiber tip filled with Polydimethylsiloxane (PDMS) as a sensor platform for volatile organic gases detection at room temperature. The response of the sensor was measured with various Volatile Organic Compounds (VOCs) such as Chloroform, Hexane, Isopropanol, Acetone, Toluene and Methanol in the concentration ranging from 5 to 200 ppm. The corresponding sensitivity and limit of detection (LOD) of the developed sensor for the measured VOCs were observed between the order of around 23.7 to 3.2 pm/ppm and 0.84 to 6.10 ppm, respectively. The response and recovery time of sensor were found between the order of 30 to 57 seconds and 8 to 25 seconds respectively for the measured VOCs. Thermal stability of the developed sensor was also studied at 30-70 degrees C with intervals of 10 degrees C. The principle of sensing is based on change in the length of the Fabry-Perot Interferometric (FPI) cavity in the presence of varied concentrations of VOCs, which results in changes in the shift in wavelength of an interference pattern attributed to the change in PDMS filling the cavity length (swelling). The experimentally observed trends in the relative swelling of PDMS with VOCs are found in agreement with the theoretically calculated values obtained from the Hansen solubility parameter (HSP). The developed gas sensor has the potential to fulfill the demands of industrial applications.
}, issn = {1094-4087}, doi = {10.1364/OE.27.007277}, author = {Kanavvade, Rajesh and Kumar, Ajay and Pawar, Dnyandeo and Vairagi, Kaushal and Late, Dattatray and Sarkar, Sudipta and Sinha, Ravindra K. and Mondal, Samir} } @article {45585, title = {NetShift: a methodology for understanding {\textquoteleft}driver microbes{\textquoteright} from healthy and disease microbiome datasets}, journal = {ISME Journal}, volume = {13}, year = {2019}, month = {JAN}, pages = {442-454}, type = {Article}, abstract = {The combined effect of mutual association within the co-inhabiting microbes in human body is known to play a major role in determining health status of individuals. The differential taxonomic abundance between healthy and disease are often used to identify microbial markers. However, in order to make a microbial community based inference, it is important not only to consider microbial abundances, but also to quantify the changes observed among inter microbial associations. In the present study, we introduce a method called {\textquoteleft}NetShift{\textquoteright} to quantify rewiring and community changes in microbial association networks between healthy and disease. Additionally, we devise a score to identify important microbial taxa which serve as {\textquoteleft}drivers{\textquoteright} from the healthy to disease. We demonstrate the validity of our score on a number of scenarios and apply our methodology on two real world metagenomic datasets. The {\textquoteleft}NetShift{\textquoteright} methodology is also implemented as a web-based application available at }, doi = {10.1038/s41396-018-0291-x}, author = {Kuntal, B. K. and Chandrakar, P. and Sadhu, S. and Mande, S. S.} } @article {46137, title = {Neural anti-inflammatory natural product periconianone A: total synthesis and biological evaluation}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {APR }, pages = {2376-2381}, type = {Article}, abstract = {
Total synthesis of periconianone A, an eremophilane-type sesquiterpenoid with impressive neural anti-inflammatory potential, has been accomplished. Diels-Alder/aldol strategy to construct tetrahydro-naphthalene-2,6-dione scaffold, allylic oxidation of dienone using DBU/O-2 and postulated biomimetic aldol reaction to construct 6/6/6 tricyclic system are the highlights of the present synthesis. Furthermore, the synthesized (+/-)-periconianone A and two close analogs were tested for their neural anti-inflammatory activity using various assays. In the course of our study we found a structurally simplified analog is superior to (+/-)-periconianone A.
}, keywords = {Aldol, Allylic oxidation, Biological evaluation, Cytotoxicity, Diels-Alder, Periconianone A}, issn = {1434-193X}, doi = {10.1002/ejoc.201900048}, author = {Kalmode, Hanuman P. and Patil, Suhag S. and Handore, Kishor L. and Athawale, Paresh R. and Dandela, Rambabu and Verma, Abhishek Kumar and Basu, Anirban and Reddy, D. Srinivasa} } @article {46112, title = {Neutral imino-methyl benzenesulfonate-ligated Pd(II) complexes and implications in ethylene polymerization}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {MAY}, pages = {9502-9511}, type = {Article}, abstract = {
A reaction between sodium 2-formylbenzenesulfonate and aniline revealed the near-quantitative (91\%) formation of sodium-2-((phenylimino)methyl)benzenesulfonate L1. The identity of L1 was unambiguously ascertained using spectroscopic and analytical methods. The scope of this methodology was widened and various electron-donating amines were treated with sodium 2-formylbenzenesulfonate, and a small library of 6 imine ligands L2-L6 was generated. When L2 was treated with [(COD)PdMeCI], instead of the anticipated [L2PdMe(DMSO)] complex, the formation of [(DMSO)(2)Pd2Cl2Me2] Pd Dim was observed. Nevertheless, the desired imino-methyl benzenesulfonate-ligated palladium complex [L2PdMe(Lu)] C1 was obtained by in situ abstraction of chloride and addition of bulky 2,6-lutidine as the donor group. The observation of characteristic Pd-Me protons at 0.06 ppm and the corresponding carbon at -8.1 ppm indicated the formation of C1. These 1D NMR observations were corroborated by 2D C-H correlation spectra and mass analysis, and the existence of C1 was unambiguously ascertained. Along the same lines, L4 and L5 were treated with a palladium precursor to produce [L4/SPdMe(Lu)]-type complexes C2-C3 in 55-84\% yield, and their identity was established by using a combination of spectroscopic tools, analytical methods, and single-crystal X-ray diffraction. The synthetic utility of C1-C3 has been demonstrated by utilizing these complexes in the insertion polymerization of ethylene to polyethylene.
}, issn = {2470-1343}, doi = {10.1021/acsomega.9b00709}, author = {Deshmukh, Satej S. and Gaikwad, Shahaji R. and Mote, Nilesh R. and Manod, M. and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {45509, title = {New approach for the synthesis of miktoarm star polymers through a combination of thiol-epoxy {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry and ATRP/Ring-opening polymerization techniques}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {57}, year = {2019}, month = {JAN }, pages = {146-156}, type = {Article}, abstract = {
A new approach was developed for synthesis of certain A(3)B(3)-type of double hydrophilic or amphiphilic miktoarm star polymers using a combination of {\textquoteleft}{\textquoteleft}grafting onto{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}grafting from{\textquoteright}{\textquoteright} methods. To achieve the synthesis of desired miktoarm star polymers, acetyl protected poly(ethylene glycol) (PEG) thiols (M-n = 550 and 2000 g mol(-1)) were utilized to generate A(3)-type of homoarm star polymers through an in situ protective group removal and a subsequent thiol-epoxy {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} reaction with a tris-epoxide core viz. 1,1,1-tris(4-hydroxyphenyl)ethane triglycidyl ether. The secondary hydroxyl groups generated adjacent to the core upon the thiol-epoxy reaction were esterified with alpha-bromoisobutyryl bromide to install atom transfer radical polymerization (ATRP) initiating sites. ATRP of N-isopropylacrylamide (NIPAM) using the three-arm star PEG polymer fitted with ATRP initiating sites adjacent to the core afforded A(3)B(3)-type of double hydrophilic (PEG)(3)[poly(N-isopropylacrylamide)] (PNIPAM)(3) miktoarm star polymers. Furthermore, the generated hydroxyl groups were directly used as initiator for ring-opening polymerization of epsilon-caprolactone to prepare A(3)B(3)-type of amphiphilic (PEG)(3)[poly(epsilon-caprolactone)](3) miktoarm star polymers. The double hydrophilic (PEG)(3)(PNIPAM)(3) miktoarm star polymers showed lower critical solution temperature around 34 degrees C. The preliminary transmission electron microscopy analysis indicated formation of self-assembly of (PEG)(3)(PNIPAM)(3) miktoarm star polymer in aqueous solution. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 146-156
}, keywords = {Atom transfer radical polymerization (ATRP), miktoarm star polymers, ring-opening polymerization (ROP), thermoresponsive, thiol-epoxy}, issn = {0887-624X}, doi = {10.1002/pola.29278}, author = {Gadwal, Ikhlas and Wadgaonkar, Prakash P. and Ichake, Amol B. and Mane, Shivshankar R.} } @article {46059, title = {New cardo bisphenol monomer containing pendant azido group and the resulting aromatic polyesters}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {57}, year = {2019}, month = {JUL }, pages = {1516-1526}, type = {Article}, abstract = {
Expanding on our strategy to synthesize aromatic step-growth polymers containing pendant clickable azido groups via functional monomer approach, we have now designed and synthesized a new cardo bisphenol, viz., 2-(2-azidoethyl)-3, 3-bis(4-hydroxyphenyl) isoindolin-1-one (PPH-N-3). PPH-N-3 was conveniently synthesized starting from commercially available phenolphthalein by a three-step route in an overall yield of 65\% using simple organic transformations. Aromatic (co)polyesters bearing pendant azido groups were synthesized by low-temperature solution polycondensation of PPH-N-3 or different molar ratios of PPH-N-3 and bisphenol-A (BPA) with aromatic diacid chlorides in dry dichloromethane in the presence of triethylamine (TEA) as a base. The formation of medium to reasonably high-molecular-weight (co)polyesters was evidenced from intrinsic viscosity and number-average molecular-weight measurements that were in the range 0.52-0.85 dL/g and 16,700-28,200, respectively. Tough, transparent, and flexible films could be cast from chloroform solutions of these (co)polyesters. (Co)polyesters were characterized using FTIR, H-1 NMR, C-13 NMR spectroscopy, XRD, and TGA. The thermal curing reaction of (co)polyesters involving decomposition of azido groups was studied by DSC analysis. The chemical modification of a representative copolyester containing pendant azido groups was carried out quantitatively using catalyst-free azide-maleimide cycloaddition reaction with two maleimides, namely, N-methylmaleimide and N-hexylmaleimide. (c) 2019 Wiley Periodicals, Inc.
}, keywords = {aromatic (co)polyester, azido group, cardo bisphenol, Chemical modification}, issn = {0887-624X}, doi = {10.1002/pola.29414}, author = {Maher, Deepak M. and Nagane, Samadhan S. and Jadhav, Uday A. and Salunkhe, Pravin H. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article {46309, title = {New enantioselective synthesis of antiobesity drug lorcaserin}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {NOV }, pages = {16876-16880}, type = {Article}, abstract = {
A simple and efficient enantioselective synthesis of anti-obesity drug lorcaerin starting from easily accessible 3-chlorostyrene oxide has been described for the first time employing hydrolytic kinetic resolution as a source of chirality. The protocol might also be useful in the synthesis of structural variants of lorcaserin.
}, issn = {1144-0546}, doi = {10.1039/c9nj04234b}, author = {Ghotekar, Ganesh S. and More, Devidas A. and Nalla, Viswanadh and Muthukrishnan, M.} } @article {46043, title = {New insights into surface functionalization and preparation methods of MWCNT based semiconductor photocatalysts}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {AUG }, pages = {14490-14499}, type = {Article}, abstract = {
The manuscript primarily describes the influence of various synthesis strategies on the photocatalytic properties of MWCNT/TiO2 binary nanohybrids. The multiwalled carbon nanotube modified titania hybrids synthesized via two-step reaction involving the covalent functionalization with green and mild oxidizing agent like H2O2, followed by simple surfactant/template free hydrothermal synthesis exhibited the maximum photocatalytic efficiency. The Total Organic Carbon (TOC) analysis showed complete mineralization of the persistent Rhodamine B dye in about 8 h. These synthesized nanohybrids in varying MWCNT content were tested for their photocatalytic efficiency in the degradation of explosive effluents like 4-nitrophenol and picric acid. The UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS), X-ray photoelectron spectroscopy (XPS), Brunauer Emmett Teller Surface area analysis (BET), Fourier transform infrared spectroscopy (FT-IR), Transmission electron microscopy (TEM) and Raman spectra analysis evidently revealed the effective synergistic interaction between the MWCNT and titania at the interface that has contributed to the significant enhancement of photocatalytic performance.
}, keywords = {Functionalization, Multiwalled carbon nanotubes (MWCNTs), Nitrophenol (4-NP), Photocatalysis, Picric acid (PA), Rhodamine B (RhB), Sol gel and hydrothermal method, synergistic effects, Titania (TiO2), Total organic carbon content (TOC)}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.04.058}, author = {Joseph, Honey Mary and Sugunan, S. and Gurrala, Lakshmiprasad and Mohan, Mothi Krishna and Gopi, Soumya} } @article {46249, title = {New porous high surface area, tio2 anatase/sapo-35 mild bronsted acidic nanocomposite: synthesis, characterization and studies on it{\textquoteright}s enhanced photocatalytic activity.}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {AUG}, pages = {9135-9142}, type = {Article}, abstract = {
Anatase TiO2 and Levyne type microporous silico alumino phosphate SAPO-35 are synthesized by using hydrothermal method. TiO2/SAPO-35 nanocomposites were prepared by sol-gel method with different weight ratios. The synthesized materials were characterized by various analytical techniques such as PXRD, SEM/EDAX, TG/DTA, BET-Surface area, FT-IR, UV-Vis, XPS, MAS-NMR and photocatalytic study. From PXRD results it clearly evidenced that, the TiO2 anatase peaks and SAPO-35 combined peaks are in the composite. The spherical shaped TiO2 nanoparticles were found to be dispersed over the rhombohedral SAPO-35 particles, which was analysed by SEM. BET-surface area analysis revealed that, the calcined SAPO-35 has the surface area of 448 m(2)/g, was decreased to 222 m(2)/g for composite which is due to the presence of TiO2 particles having surface area of 85 m(2)/g on the surface of SAPO-35. The oxidation state and co-ordination of various elements present in nanocomposite was composed by X-ray photoelectron spectroscopy. MAS-NMR analysis has shown that SAPO-35 has tetrahedral Al, P and Si oxides. Eventhough Al is unique Si and P are in two different environment namely one in S6R and another in D6R with double intensity. The photocatalytic performance of methylene blue degradation under sunlight radiation by the synthesized TiO2/SAPO-35 was analyzed. The TiO2/SAPO-35 composites degrade the methylene blue under sunlight irradiation in 25 minutes against 90 minuts for pure TiO2 anatase. A plausible mechanism on photocatalytic activity is also proposed.
}, doi = {10.1002/slct.201902134}, author = {Siliveri, Suresh and Chirra, Suman and Tyagi, Chinkit and Gandamalla, Ambedkar and Adepu, Ajay Kumar and Goskula, Srinath and Gujjula, Sripal Reddy and Venkatathri, Narayanan} } @article {45616, title = {NHC-catalyzed generation of α,β-unsaturated acylazoliums for the enantioselective synthesis of heterocycles and carbocycles}, journal = {Accounts of Chemical Research}, volume = {52}, year = {2019}, month = {FEB}, pages = {425-436}, type = {Article}, abstract = {
It is reasonable to believe that the chemistry of α,β-unsaturated acylazoliums, catalytically generated through NHCs, will continue to flourish and will lead to amazing results. Future challenges in this area include the applications of this key intermediate in the synthesis of biologically active natural products and drugs.
}, doi = {10.1021/acs.accounts.8b00550 }, author = {Mondal, S. and Yetra, S. R. and Mukherjee, S. and Biju, A. T.} } @inbook {47494, title = {N-heterocyclic carbene-catalyzed stetter reaction and related chemistry}, booktitle = {N-Heterocyclic Carbenes in Organocatalysis}, year = {2019}, publisher = {Wiley}, organization = {Wiley}, chapter = {Chapter 3}, abstract = {The reversal of normal mode of reactivity (umpolung) of aldehydes is the most important application of N-heterocyclic carbenes (NHCs) in organocatalytic transformations. The benzoin condensation and the Stetter reaction are the two historic reactions where NHC reacts with aldehyde to generate acyl anion equivalent, which is subsequently intercepted with another molecule of carbonyl compound or Michael acceptor leading to the formation of the benzoin/Stetter products. The objective of this chapter is to provide an overview on NHC-catalyzed Stetter reaction and related chemistry. The development of various chiral catalysts for enantioselective intra- or intermolecular Stetter reaction has been described. Additionally, recent progress on NHC-catalyzed addition of aldehyde to unactivated multiple bonds in the hydroacylation reaction has been demonstrated.}, issn = {Online ISBN: 9783527809042}, doi = {10.1002/9783527809042.ch3}, author = {Mondal, Santigopal and Yetra, Santhivardhana R. and Biju, Akkattu T.} } @article {46021, title = {N-Heterocyclic carbene-catalyzed umpolung of imines for the enantioselective synthesis of dihydroquinoxalines}, journal = {ACS Catalysis}, volume = {9}, year = {2019}, month = {MAY}, pages = {4065-4071}, type = {Article}, abstract = {
N-heterocyclic carbene (NHC) organocatalysis is widely employed for the umpolung of aldehydes and recently to the umpolung of Michael acceptors and aldimines. Described herein is the NHC-organocatalyzed umpolung of aldimines for the enantioselective synthesis of nitrogen heterocycles. The bisimines generated from the condensation of 1,2-phenylenediamines and salicylaldehydes undergo intramolecular cyclization in the presence of a chiral NHC catalyst, resulting in the formation of dihydroquinoxalines in moderate to good yields and er values. Detailed DFT studies shed light on the role of -OH groups in stabilizing the initially generated aza-Breslow intermediates via intramolecular hydrogen bonds. Preliminary photophysical studies on the synthesized dihydroquinoxalines revealed that these molecules can be used for the sensing of various acids and bases.
}, keywords = {dihydroquinoxalines, imines, N-heterocyclic carbenes, organocatalysis, umpolung}, issn = {2155-5435}, doi = {10.1021/acscatal.9b00737}, author = {Das, Tamal Kanti and Ghosh, Avik and Balanna, Kuruva and Behera, Pradipta and Gonnade, Rajesh G. and Marelli, Udaya Kiran and Das, Abhijit Kumar and Biju, Akkattu T.} } @article {45593, title = {Nickel and cobalt affect galactosylation of recombinant IgG expressed in CHO cells.}, journal = {BioMetals}, volume = {32}, year = {2019}, month = {OCT}, pages = {11-19}, type = {Article}, abstract = {
Glycosylation is an important product quality attribute of antibody biopharmaceuticals. It involves enzymatic addition of oligosaccharides on proteins by sequential action of glycosyltransferases and glycosidases in the endoplasmic reticulum and golgi. Some of these enzymes like galactosyltransferase and N-acetylglucosaminyltransferase-I require trace metal cofactors. Variations in trace metal availability during production can thus affect glycosylation of recombinant glycoproteins such as monoclonal antibodies. Variability in trace metal concentrations can be introduced at multiple stages during production such as due to impurities in raw materials for culture medium and leachables from bioreactors. Knowledge of the effect of various trace metals on glycosylation can help in root-cause analysis of unintended variability in glycosylation. In this study, we investigated the effect of nickel and cobalt on glycosylation of recombinant IgG expressed in Chinese hamster ovary cells. Nickel concentrations below 500 {\textmu}M did not affect glycosylation, but above 500 {\textmu}M it significantly decreases galactosylation of IgG. Cobalt at 50 {\textmu}M concentration causes slight increase in G1F glycans (mono galactosylated) as previously reported. However, higher concentrations result in a small increase in G0F (non galactosylated) glycans. This effect of nickel and cobalt on galactosylation of recombinant IgG can be reversed by supplementation of uridine and galactose which are precursors to UDP-Galactose, a substrate for the enzymatic galactosylation reaction.
}, keywords = {cobalt, Galactosylation, glycosylation, Nickel, Process variability, Trace metals}, issn = {0966-0844}, doi = {10.1007/s10534-018-0152-0}, author = {Prabhu, A. and Gadgil, M.} } @article {46323, title = {Nickel-catalyzed C(2)-H arylation of indoles with aryl chlorides under neat conditions}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {OCT}, pages = {12800-12808}, type = {Article}, abstract = {
Nickel-catalyzed regioselective C(2)-H arylation of indoles and pyrroles with aryl chlorides is achieved under neat conditions. This method allows the efficient coupling of diverse aryl chlorides employing a user-friendly and inexpensive Ni(OAc)(2)/dppf catalyst system at 80 degrees C. Numerous functionalities, such as halides, alkyl ether, fluoro-alkyl ether, and thioether, and substituted amines, including heteroarenes like benzothiazolyl, pyrrolyl, indolyl, and carbazolyl, are well tolerated under the reaction conditions. The preliminary mechanistic study highlights a single-electron transfer (SET) pathway for the arylation reaction.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.9b01375}, author = {Pandey, Dilip K. and Vijaykumar, Muniyappa and Punji, Benudhar} } @article {46311, title = {Nickel-catalyzed C-H alkylation of indoles with unactivated alkyl chlorides: evidence of a Ni(i)/Ni(iii) pathway}, journal = {Chemical Science}, volume = {10}, year = {2019}, month = {NOV}, pages = {9493-9500}, type = {Article}, abstract = {
A mild and efficient nickel-catalyzed method for the coupling of unactivated primary and secondary alkyl chlorides with the C-H bond of indoles and pyrroles is described which demonstrates a high level of chemo and regioselectivity. The reaction tolerates numerous functionalities, such as halide, alkenyl, alkynyl, ether, thioether, furanyl, pyrrolyl, indolyl and carbazolyl groups including acyclic and cyclic alkyls under the reaction conditions. Mechanistic investigation highlights that the alkylation proceeds through a single-electron transfer (SET) process with Ni(i)-species being the active catalyst. Overall, the alkylation follows a Ni(i)/Ni(iii) pathway involving the rate-influencing two-step single-electron oxidative addition of alkyl chlorides.
}, issn = {2041-6520}, doi = {10.1039/c9sc01446b}, author = {Pandey, Dilip K. and Ankade, Shidheshwar B. and Ali, Abad and Vinod, C. P. and Punji, Benudhar} } @article {45528, title = {Nickel-catalyzed straightforward and regioselective C-H alkenylation of indoles with alkenyl bromides: scope and mechanistic aspect}, journal = {ACS Catalysis}, volume = {9}, year = {2019}, month = {JAN}, pages = {431-441}, type = {Article}, abstract = {
Nickel-catalyzed regioselective C-H bond alkenylation of indoles and related heteroarenes with alkenyl bromides is accomplished under relatively mild conditions. This method allows the straightforward synthesis of C-2 alkenylated indoles employing an air-stable and well-defined nickel catalyst, (bpy)NiBr2, providing a solution to the limitations associated with hydroindolation and oxidative alkenylation. The reaction conceded the coupling of indole derivatives with various alkenyl bromides, such as aromatic and heteroaromatics, alpha- and beta-substituted as well as exo- and endo-cyclic alkenyl compounds. An extensive mechanistic investigation, including controlled study, reactivity experiments, kinetics and labeling studies, and EPR and XPS analyses, highlights that the alkenylation proceeds through a single-electron transfer process comprising an odd-electron oxidative addition of alkenyl bromide. Furthermore, the alkenylation operates via a probable Ni(I)/Ni(III) pathway involving the rate-limiting C-H nickelation of indole.
}, keywords = {alkenylation, C-H activation, indoles, Mechanism, Nickel, single-electron transfer}, issn = {2155-5435}, doi = {10.1021/acscatal.8b04267}, author = {Jagtap, Rahul A. and Vinod, C. P. and Punji, Benudhar} } @article {46099, title = {Nickel(ii)-catalyzed direct olefination of benzyl alcohols with sulfones with the liberation of H-2}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {MAY }, pages = {6130-6133}, type = {Article}, abstract = {
A nickel(II)-catalyzed direct olefination of benzyl alcohols with sulfones to access various terminal and internal olefins with the liberation of hydrogen gas is reported.
}, issn = {1359-7345}, doi = {10.1039/c9cc02603g}, author = {Landge, Vinod G. and Yadav, Vinita and Subaramanian, Murugan and Dangarh, Pragya and Balaraman, Ekambaram} } @article {46128, title = {NMR structure and dynamics of inhibitory repeat domain variant 12, a plant protease inhibitor from Capsicum annuum, and its structural relationship to other plant protease inhibitors}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2019}, month = {APR}, type = {Article; Early Access}, abstract = {
Although several plant protease inhibitors have been structurally characterized using X-ray crystallography, very few have been studied using NMR techniques. Here, we report an NMR study of the solution structure and dynamics of an inhibitory repeat domain (IRD) variant 12 from the wound-inducible Pin-II type proteinase inhibitor from Capsicum annuum. IRD variant 12 (IRD12) showed strong anti-metabolic activity against the Lepidopteran insect pest, Helicoverpa armigera. The NMR-derived three-dimensional structure of IRD12 reveals a three-stranded anti-parallel beta-sheet rigidly held together by four disulfide bridges and shows structural homology with known IRDs. It is interesting to note that the IRD12 structure containing similar to 75\% unstructured part still shows substantial amount of rigidity of N-H bond vectors with respect to its molecular motion. Communicated by Ramaswamy H. Sarma
}, keywords = {Bt transgenic, Capsicum annuum, Helicoverpa armigera, inhibitory repeating domains, NMR structure, Protease inhibitors (PIs)}, issn = {0739-1102}, doi = {10.1080/07391102.2019.1607559, Early Access Date = APR, Early Access Year = 2019}, author = {Gartia, Janeka and Anangi, Raveendra and Joshi, Rakesh S. and Giri, Ashok P. and King, Glenn F. and Barnwal, Ravi P. and Chary, Kandala V. R.} } @article {46359, title = {Non nucleoside reverse transcriptase inhibitors, molecular docking studies and antitubercular activity of thiazolidin-4-one derivatives}, journal = {Current Computer-Aided Drug Design}, volume = {15}, year = {2019}, month = {JAN}, pages = {433-444}, type = {Article}, abstract = {
Background: Management of Co-existence of Acquired immunodeficiency syndrome and Tuberculosis has become a global challenge due to the emergence of resistant strains and pill burden. Objective: Hence the aim of the present work was to design and evaluate compounds for their dual activity on HIV-1 and Tuberculosis (TB). Methods: A series of seven, novel Thiazolidin-4-one derivatives were synthesized and evaluated for their anti-HIV and anti-tubercular activity along with Molecular docking studies. All the seven compounds displayed promising activity against the replication of HIV-1 in cell-based assays. The four most active compounds were further evaluated against X4 tropic HIV-1(UG)(070) and R5 tropic HIV-1(vB59) primary isolates. The binding affinity of all the designed compounds for HIV-RT and Mycobacterium tuberculosis Enol Reductase (MTB InhA) was gauged by molecular docking studies which revealed crucial thermodynamic interactions governing their binding. Results: The CC50 values for the test compounds were in the range of, 15.08-34.9 mu g/ml, while the IC50 values were in the range of 16.1-27.13(UG(070); X4) and 12.03-23.64 (VB59; R5) mu g/ml. The control drug Nevirapine (NVP) exhibited CC50 value of 77.13 mu g/ml and IC50 value of 0.03 mu g/ml. Amongst all these compounds, compound number 3 showed significant activity with a TI value of 2.167 and 2.678 against the HIV-1 X4 and the R5 tropic virus respectively. In anti-mycobacterial screening, the compounds proved effective in inhibiting the growth of both log phase and starved MTB cultures. Conclusion: Compound 3 has been found to be active against HIV-1 as well as MTB.
}, keywords = {anti-HIV-1 activity, Antitubercular activity, human immunodeficiency virus-1, Molecular docking, Non nucleoside reverse transcriptase, thiazolidin-4-ones}, issn = {1573-4099}, doi = {10.2174/1573409915666181221102903}, author = {Chitre, Trupti S. and Patil, Shital M. and Sujalegaonkar, Anagha G. and Asgaonkar, Kalyani D. and Khedkar, Vijay M. and Garud, Dinesh R. and Jha, Prakash C. and Gaikwad, Sharddha Y. and Kulkarni, Smita and Choudhari, Amit and Sarkar, Dhiman} } @inbook {47486, title = {Noncovalent interactions in hydrogenation and hydroformylation}, booktitle = {Noncovalent Interactions in Catalysis}, number = {RSC Catalysis Series}, year = {2019}, publisher = {RSC}, organization = {RSC}, abstract = {This chapter summarizes the fundamentals of hydrogenation and hydroformylation reactions. An overview of state-of-the-art developments is presented to set the context. Subsequently, the significance of noncovalent interactions in these reactions is discussed in detail. Hydrogen bonding has been one of the leading noncovalent interactions that has been very frequently used in catalysis, including hydrogenation and hydroformylation reactions. Recent examples from the literature are presented to illustrate the role of hydrogen bonding in hydrogenation and hydroformylation. The impact of hydrogen bonding on catalyst development through self-assembly and the role of hydrogen bonding in directing a substrate to achieve high enantiomeric excess are discussed.}, doi = {10.1039/9781788016490-00168}, author = {Koshti, Vijay S. and Chikkali, Samir H.} } @article {45598, title = {Nonoxidative dehydrogenation of methanol to methyl formate through highly stable and reusable CuMgO-based catalysts}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {1854{\textendash}1860}, type = {Article}, abstract = {
Nonoxidative dehydrogenation of methanol to methyl formate over a CuMgO-based catalyst was investigated. Although the active site is metallic copper (Cu0), the best reaction conditions were obtained by tuning the ratio of Cu/Mg and doping the catalyst with 1 wt \% of Pd to achieve a very specific activity for methyl formate synthesis. On the basis of the CO2 temperature-programmed desorption study, the basic strength of the catalyst plays a role in the efficient conversion of methanol to methyl formate via dehydrogenation. These CuMgO-based catalysts show excellent thermal stability during the reaction and the regeneration processes. Approx. 80\% methanol conversion with constant selectivity to methyl formate was achieved even after 4 rounds of usage for a total reaction time exceeding 200 h, indicative of their potential for practical applications.
}, doi = {10.1021/acsomega.8b03069}, author = {Yuan D. J. and Hengne, A. M. and Saih, Y. and Huang, K. W.} } @article {46307, title = {Novel fatty alkene from marine bacteria: a thermo stable biosurfactant and its applications}, journal = {Journal of Hazardous Materials}, volume = {380}, year = {2019}, month = {DEC}, pages = {UNSP 120868}, type = {Article}, abstract = {
In this study, a novel thermo stable biosurfactants, 1-Pentanonacontene (C95H190) a fatty alkene and 3-Hydroxy16-methylheptadecanoic acid (C18H36O3) were isolated from a marine isolate SGD-AC-13. Biosurfactants were produced using 1\% yeast extract in tap water as production medium at 24 h in flask and 12 h in bioreactor. Using 16S rRNA gene sequence (1515 bp) and BCL card (bioMerieux VITEK (R)), strain was identified as Bacillus sp. Crude biosurfactant reduced the surface tension of distilled water to 31.32 +/- 0.93 mN/m with CMC value of 0.3 mg/ml. Cell free supernatant showed excellent emulsification and oil displacement activity with stability up to 160 degrees C, pH 6-12 and 50 g/L NaCl conc. Biosurfactants were characterized using FTIR, TLC, HPLC LC-MS and NMR spectroscopy. Cell free supernatant reduced the contact angle of distilled water droplet from 117 degrees to 52.28 degrees and of 2\% pesticide from 78.77 degrees to 73.42 degrees while 750 mu g/ml of crude biosurfactant reduced from 66.06 degrees to 56.33 degrees for 2\% pesticide and recovered 35\% ULO and 12\% HWCO from the contaminated sand. To our best of knowledge, this is the first report of thermo stable fatty alkene as a biosurfactant and is structurally different from previously reported, with having potential application in agriculture, oil recovery and bioremediation.
}, keywords = {Bioremediation, Biosurfactants, Fatty alkene, Thermo stability, Wettability}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2019.120868}, author = {Ram, Hari and Sahu, Amit Kumar and Said, Madhukar S. and Banpurkar, Arun G. and Gajbhiye, Jayant M. and Dastager, Syed G.} } @article {46270, title = {Novel synthetic approach for designing metal-free, redox-active quinoxaline-benzimidazole-based organic polymers with high energy storage capacity}, journal = {New Journal of Chemistry}, volume = {44}, year = {2019}, month = {OCT}, pages = {14806-14817}, type = {Article}, abstract = {
New organic framework materials, namely, polyphenylquinoxaline (QOP) and polyphenylquinoxaline-benzimidazole (QOP-BOP) were designed using a high-temperature (\>100 degrees C) polymerization reaction with different monomers, i.e., 2,5-bis-[(4-benzoylcarbonyl)phenyl]-3-4 diphenyl thiophene (BbcPDT), aromatic tetraamines and biphenyl dicarboxylic acid. The QOP-BOP copolymer exhibited specific capacitance (SC) of 305 F g(-1) at the current density of 2 A g(-1) and 88\% retention of its initial specific capacitance after 1000 cycles, which resulted in good cyclic stability. This work establishes the first use of thiophene integrated with quinoxaline-benzimidazole units for energy storage applications and provides strategies for further developments in the performance of such conjugated materials. Cyclic voltammetry, charge-discharge and electrochemical impedance techniques were used to evaluate the electrochemical parameters, which demonstrated their potential in future energy storage devices.
}, doi = {10.1039/c9nj02877c}, author = {Salunkhe, Pravin S. and Patil, Yuvraj S. and Dhole, Indrajeet A. and Kalshetti, Basavraj S. and Patil, Vikas B. and Mane, Shivshankar R. and Ghanwat, Anil A.} } @article {46172, title = {Nuclear parity- and time-reversal-symmetry violation in the (HgH)-Hg-201 molecule}, journal = {Physical Review A}, volume = {99}, year = {2019}, month = {MAR }, pages = {032503}, type = {Article}, abstract = {
Investigation of the nuclear magnetic quadrupole moment (MQM) is an excellent way to reveal the new physics in the hadron sector of matter. Therefore, we investigate the violation of parity (P) and time-reversal (T) invariance induced by the MQM of the( 201) Hg nucleus in the HgH molecule, which has been proposed as a very promising candidate for the experimental search of the electric dipole moment of electron [M. G. Kozlov and A. Derevianko, Phys. Rev. Lett. 97, 063001 (2006)]. We report the precise value of the molecular parameter, W-M, associated with the P, T-odd nuclear MQM-electron interaction in (HgH)-Hg-201 using the four-component relativistic coupled-cluster method. This parameter is required to interpret the experimental P, T-odd frequency shift in terms of the MQM of nuclei. Furthermore, the magnetic hyperfine structure (HFS) constants of the molecule are computed at the same level of theory. We also study the role of core-correlating functions and the virtual energy functions in the calculations of the HFS constant and W-M. The most reliable value of W(M )in HgH is obtained as 3.22 x 10 (33) Hz/e cm (2) with an uncertainty of around 6\%.
}, issn = {2469-9926}, doi = {10.1103/PhysRevA.99.032503}, author = {Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {46292, title = {One-pot Au [III]-/lewis acid catalyzed cycloisomerization of nitroalkynes and [3+3]cycloaddition with donor-acceptor cyclopropanes}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {AUG}, pages = {6221-6224}, type = {Article}, abstract = {
A one-pot protocol for the synthesis of a tricyclic pseudoindoxyl scaffold from 2-nitroalkynylbenzenes, comprising of an Au(III)-catalyzed nitroalkyne cycloisomerization leading to isatogen and its [3 + 3]-cycloaddition with donor-acceptor cyclopropanes mediated by a suitable Lewis acid, has been developed.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.9b02035}, author = {Dhote, Pawan S. and Ramana, V. Chepuri} } @article {45589, title = {One-pot three-component synthesis and photophysical properties of highly fluorescent novel 4-alkyl-3-aryl-2,6-dicyanoanilines by using tris(hydroxymethyl)aminomethane as a catalyst}, journal = {Chemical Data Collections}, volume = {19}, year = {2019}, month = {FEB}, pages = {Article No: 100172}, type = {Article}, abstract = {Novel 4-alkyl-3-aryl-2,6-dicyanoanilines were synthesized by a multi-component one-step reaction of aromatic aldehyde, malononitrile and aliphatic aldehyde using tris(hydroxymethyl)aminomethane (THAM) as a catalyst under microwave (MW) irradiation or conventional heating. The optimized reaction condition involved use of 2.5 equivalents of THAM under MW irradiation at 140 W using 20\% MW power for 5 min or conventional heating at 80 {\textdegree}C for 8 h in dimethylformamide. The photophysical properties including λmax, quantum yield and Stokes{\textquoteright} shifts of newly synthesized molecules were studied. All compounds exhibited quantum yield in the range of 0.04{\textendash}0.52 with respect to standard quinine sulphate having quantum yield 0.54. The Stokes{\textquoteright} shifts of all compounds were found in the range of 41{\textendash}105 nm. The current strategy provides operationally simple protocol using THAM as a catalyst to synthesize 4-alkyl-3-aryl-2,6-dicyanoanilines with diverse structural features to make them available for exploration of their photophysical as well as biological applications.}, doi = {10.1016/j.cdc.2018.100172}, author = {Kudale, A. S. and Kamble, S. B. and Gore, A. H. and Pisal, M. M. and Salokhe, A. T. and Kolekar, G. B. and Helavi, V. B.} } @article {45527, title = {Operando X-ray absorption spectroscopy study of the Fischer-Tropsch reaction with a Co catalyst}, journal = {Journal of Synchrotron Radiation}, volume = {26}, year = {2019}, month = {JAN}, pages = {137-144}, type = {Article}, abstract = {
This article describes the setting up of a facility on the energy-scanning EXAFS beamline (BL-09) at RRCAT, Indore, India, for operando studies of structure-activity correlation during a catalytic reaction. The setup was tested by operando X-ray absorption spectroscopy (XAS) studies performed on a Co-based catalyst during the Fischer-Tropsch reaction to obtain information regarding structural changes in the catalyst during the reaction. Simultaneous gas chromatography (GC) measurements during the reaction facilitate monitoring of the product gases, which in turn gives information regarding the activity of the catalyst. The combination of XAS and GC techniques was used to correlate the structural changes with the activity of the catalyst at different reaction temperatures. The oxide catalyst was reduced to the metallic phase by heating at 400 degrees C for 5h under H-2 at ambient pressure and subsequently the catalytic reaction was studied at four different temperatures of 240, 260, 280 and 320 degrees C. The catalyst was studied for 10h at 320 degrees C and an attempt has been made to understand the process of its deactivation from the XANES and EXAFS results.
}, keywords = {catalysis, EXAFS, Fischer-Tropsch reaction, in situ studies, structure-activity correlation, XANES}, issn = {1600-5775}, doi = {10.1107/S1600577518015588}, author = {Nayak, Chandrani and Jain, Preeti and Vinod, C. P. and Jha, S. N. and Bhattacharyya, D.} } @article {46317, title = {Ortho-oxygenative 1,2-difunctionalization of diarylalkynes under merged gold/organophotoredox relay catalysis}, journal = {Chemistry-An Asian Journal}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {
Reported herein is an ortho-oxygenative 1,2-difunctionalization of diarylalkynes under merged gold/organophotoredox catalysis to access highly functionalized 2-(2-hydroxyaryl)-2-alkoxy-1-arylethan-1-ones. Detailed mechanistic studies suggested a relay process, initiating with gold-catalyzed hydroalkoxylation of alkynes, to generate enol-ether followed by a key formal [4+2]-cycloaddition reaction. The successful application of the present methodology was also shown for the synthesis of benzofurans.
}, keywords = {binary catalyst system, Gold catalysis, organocatalyst, photoredox, synthetic methodology}, issn = {1861-4728}, doi = {10.1002/asia.201901275}, author = {Sancheti, Shashank P. and Akram, Manjur O. and Roy, Rupam and Bedi, Vaibhav and Kundu, Shubhankar and Patil, Nitin T.} } @article {46237, title = {Oxidative disproportionation of MoS2/GO to MoS2/MoO3-x/RGO : integrated and plasmonic 2D-multifunctional nanocomposites for solar hydrogen generation from near-infrared and visible regions}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {SEP}, pages = { 21685-21693}, type = {Article}, abstract = {
Two dimensional (2D) semiconductor materials have been recently demonstrated to be effective plasmonic materials and alternatives to costly noble metals. However, tuning the plasmon resonance of 2D semiconductors and integrating with another material or semiconductor for various applications, such as solar light harvesting, remains a challenge. Herein, we designed a simple and attractive method, which facilitates the diffusion of oxygen from the graphene oxide (GO) layers of the MoS2/GO (MG) composite to oxidize the MoS2 layers significantly due to thermal treatment under inert atmosphere. This is the key step in the formation of MoS2/MoO3-x/RGO (MMR) (x = 0, 0.5, and 1, and all stoichiometries co-exist), due to disproportionation of MoS2/GO, with bulk heterojunctions among the components. The observed behavior is attributed to the oxidation of Mo4+ cations (of MoS2) to higher oxidation states in MMR (Mo(5+ )and Mo6+ of MoO3-x), which also alters the valence-band electronic structure and work function of the resulting composite. The 2D MoO3-x layers with a large amount of Mo5+ oxidation states enables facile charge carrier generation due to plasmonic effect, whereas MoS2 provides active sites for catalysis. The solar H-2 generation was demonstrated in the visible and near-infrared region by combining both the plasmonic and catalytic effects in one composite. These results demonstrate the important role of RGO to provide energy-level alignment, charge carrier diffusion, and help to generate plasmonic effect in the composite.
}, author = {Patra, Kshirodra Kumar and Ghosalya, Manoj Kumar and Bajpai, Himanshu and Raj, Sreeya and Gopinath, Chinnakonda S.} } @article {46277, title = {Oxidative Olefination of Benzylamine with an Active Methylene Compound Mediated by Hypervalent Iodine (III)}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {SEP}, type = {Article}, abstract = {
Hypervalent iodine-mediated oxidative olefination of amines with an active methylene compound provides a rapid gateway towards the formation of electrophilic alkenes under mild reaction conditions in good to excellent yields. This is an efficient protocol for the preparation of substituted electrophilic alkenes.
}, doi = {10.1002/ejoc.201900970}, author = {Rupanawar, Bapurao D. and Veetil, Sruthi M. and Suryavanshi, Gurunath} } @article {46349, title = {Oxone promoted dehydrogenative Povarov cyclization of N-aryl glycine derivatives: an approach towards quinoline fused lactones and lactams}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {SEP }, pages = {30277-30291}, type = {Article}, abstract = {
Oxone promoted intramolecular dehydrogenative imino Diels-Alder reaction (Povarov cyclization) of alkyne tethered N-aryl glycine esters and amides has been explored, thus affording biologically significant quinoline fused lactones and lactams. The reaction is simple, scalable, and high yielding (up to 88\%). The method was further extended to prepare biologically important luotonin-A analogues and the quinoline core of uncialamycin.
}, doi = {10.1039/c9ra06212b}, author = {More, Devidas A. and Shinde, Ganesh H. and Shaikh, Aslam C. and Muthukrishnan, M.} } @article {45620, title = {Paintable room-temperature phosphorescent liquid formulations of alkylated bromonaphthalimide}, journal = {Angewandte Chemie - International Edition}, volume = {58}, year = {2019}, month = {FEB}, pages = {2284-2288}, type = {Article}, abstract = {Organic phosphors have been widely explored with an understanding that crystalline molecular ordering is a requisite for enhanced intersystem crossing. In this context, we explored the room-temperature phosphorescence features of a solvent-free organic liquid phosphor in air. While alkyl chain substitution varied the physical states of the bromonaphthalimides, the phosphorescence remained unaltered for the solvent-free liquid in air. As the first report, a solvent-free liquid of a long swallow-tailed bromonaphthalimide exhibits room-temperature phosphorescence in air. Doping of the phosphor with carbonyl guests resulted in enhanced phosphorescence, and hence a large-area paintable phosphorescent liquid composite with improved lifetime and quantum yield was developed.}, doi = {10.1002/anie.201811834}, author = {Goudappagouda and Manthanath, A. and Wakchaure, V. C. and Ranjeesh, K. C. and Das, T. and Vanka, K. and Nakanishi, T. and Babu, S. S.} } @article {46139, title = {Palladium impregnated amine Co-condensed hexagonal mesoporous silica: a novel catalyst in tailoring suzuki and heck coupling reactions in base free condition}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {APR }, pages = {3823-3832}, type = {Article}, abstract = {
Palladium impregnated amine co-condensed hexagonal mesoporous silicas (HMS-X) were synthesized (sol-gel process) using different amines (Ethylene diamine and pyridine) of various concentrations (0.25 equiv. and 2 equiv.). The effect of amine concentration on the local structure of hexagonal mesoporous silica was studied. The catalyst shows excellent catalytic activity and high TOF towards both Suzuki and Heck coupling reactions without using any base in reaction medium with the solvent DMF:water in (1:1) ratio. The catalyst was reused and it was recyclable up to three cycle without any appreciable loss of activity and the kinetics of the reaction varying different parameters also have been studied thoroughly.
}, keywords = {Amine functionalized silica, Base free, Heck reaction, Palladium supported catalysts, Suzuki reaction}, issn = {2365-6549}, doi = {10.1002/slct.201803485}, author = {Das, Prangya Paramita and Prabhakaran, Vinod C. and Nanda, Samik and Sen, Debasis and Chowdhury, Biswajit} } @article {46171, title = {Partially bio-based aromatic poly(ether sulfone)s bearing pendant furyl groups: synthesis, characterization and thermo-reversible cross-linking with a bismaleimide}, journal = {Polymer Chemistry}, volume = {10}, year = {2019}, month = {MAR }, pages = {1089-1098}, type = {Article}, abstract = {
A fully bio-based bisphenol bearing pendant furyl group, viz., 4,4{\textquoteright}-(furan-2-ylmethylene) bis(2-methoxyphenol) (BPF) was synthesized by base-catalyzed condensation of furfural with guaiacol. New partially bio-based (co) poly(ether sulfone) s bearing pendant furyl groups were synthesized via aromatic nucleophilic substitution polycondensation of BPF and various mixtures of BPF and bisphenol-A with bis(4-fluorophenyl) sulfone in N, N-dimethylacetamide as a solvent. (Co) poly(ether sulfone) s showed inherent viscosities in the range 0.92-1.47 dL g(-1) and number average molecular weights ((M-n) over bar), obtained from GPC, were in the range 91 300-131 000 g mol(-1). (Co) poly(ether sulfone) s could be cast into tough, transparent and flexible films from chloroform solutions. (Co)poly(ether sulfone)s showed 10\% weight loss in the temperature range 431-481 degrees C and DSC showed T-g in the range 179-190 degrees C. Tensile strength, Young{\textquoteright}s modulus and elongation at break, obtained from tensile testing of (co) poly(ether sulfone) s containing pendant furyl groups, were in the range 76.7-83.8 MPa, 1.02-1.18 GPa and 21.4-89.7\%, respectively. Most interestingly, pendant furyl groups in (co) poly(ether sulfone) s provide reactive sites for click modification and cross-linking via Diels-Alder reaction with maleimides and bismaleimides, respectively. Crosslinked (co) poly(ether sulfone) was prepared via Diels-Alder reaction of a representative (co) poly(ether sulfone) containing pendant furyl groups with 1,1{\textquoteright}-(methylenedi-1,4-phenylene) bismaleimide (BMI) at 60 degrees C. The formation of cross-linked poly(ether sulfone) was demonstrated by gelation tests, solubility tests and DSC. The cross-linked copoly(ether sulfone) prepared using BMI showed enhanced tensile strength and Young{\textquoteright}s modulus compared to parent copoly(ether sulfone) and was recycled two times with retention of mechanical properties.
}, issn = {1759-9954}, doi = {10.1039/c8py01477a}, author = {Nagane, Samadhan S. and Kuhire, Sachin S. and Mane, Shivshankar R. and Wadgaonkar, Prakash P.} } @article {46438, title = {Pathways to defense metabolites and evading fruit bitterness in genus Solanum evolved through 2-oxoglutarate-dependent dioxygenases}, journal = {Nature Communications}, volume = {10}, year = {2019}, month = {NOV}, pages = {5169}, type = {Article}, abstract = {
The genus Solanum comprises three food crops (potato, tomato, and eggplant), which are consumed on daily basis worldwide and also producers of notorious anti-nutritional steroidal glycoalkaloids (SGAs). Hydroxylated SGAs (i.e. leptinines) serve as precursors for leptines that act as defenses against Colorado Potato Beetle (Leptinotarsa decemlineata Say), an important pest of potato worldwide. However, SGA hydroxylating enzymes remain unknown. Here, we discover that 2-OXOGLUTARATE-DEPENDENT-DIOXYGENASE (2-ODD) enzymes catalyze SGA-hydroxylation across various Solanum species. In contrast to cultivated potato, Solanum chacoense, a widespread wild potato species, has evolved a 2-ODD enzyme leading to the formation of leptinines. Furthermore, we find a related 2-ODD in tomato that catalyzes the hydroxylation of the bitter a-tomatine to hydroxytomatine, the first committed step in the chemical shift towards downstream ripening-associated non-bitter SGAs (e.g. esculeoside A). This 2-ODD enzyme prevents bitterness in ripe tomato fruit consumed today which otherwise would remain unpleasant in taste and more toxic.
}, issn = {2041-1723}, doi = {10.1038/s41467-019-13211-4}, author = {Cardenas, Pablo D. and Sonawane, Prashant D. and Heinig, Uwe and Jozwiak, Adam and Panda, Sayantan and Abebie, Bekele and Kazachkova, Yana and Pliner, Margarita and Unger, Tamar and Wolf, Dalia and Ofner, Itai and Vilaprinyo, Ester and Meir, Sagit and Davydov, Olga and Gal-On, Amit and Burdman, Saul and Giri, Ashok and Zamir, Dani and Scherf, Tali and Szymanski, Jedrzej and Rogachev, Ilana and Aharoni, Asaph} } @article {46343, title = {Phase transfer ceria-supported nanocatalyst for nitrile hydration reaction}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {OCT }, pages = {16037-16044}, type = {Article}, abstract = {
The present study elaborates the catalytic effect of rare-earth metal oxides (Sm2O3 and La2O3) over ceria as a support phase transfer catalyst. The synthesized catalysts have been subjected to different characterization techniques, such as field-emission scanning electron microscopy, high-resolution transmission electron microscopy, powder X-ray diffraction, N-2 adsorption-desorption (BET surface analysis), temperature-programmed desorption study (NH3/CO2-TPD), Fourier transform infrared, Raman analysis, and X-ray photoelectron spectroscopy to get better insights into the catalytic activity of the catalysts for hydration of nitrile.
}, issn = {2470-1343}, doi = {10.1021/acsomega.9b02173}, author = {Gupta, Nikitra N. and Punekar, Amrin S. and Raj, Karthik Raja E. K. and Ghodekar, Medha M. and Patil, Vipul S. and Gopinath, Chinnakonda S. and Raja, Thirumalaiswamy} } @article {46251, title = { Phosphite-Catalyzed C-H allylation of azaarenes via an enantioselective [2,3]-Aza-wittig rearrangement }, journal = {Angewandte Chemie-International Edition}, year = {2019}, month = {AUG}, type = {Article}, abstract = {
A phosphite-mediated [2,3]-aza-Wittig rearrangement has been developed for the regio- and enantioselective allylic alkylation of six-membered heteroaromatic compounds (azaarenes). The nucleophilic phosphite adducts of N-allyl salts undergo a stereoselective base-mediated aza-Wittig rearrangement and dissociation of the chiral phosphite for overall C-H functionalization of azaarenes. This method provides efficient access to tertiary and quaternary chiral centers in isoquinoline, quinoline, and pyridine systems, tolerating a broad variety of substituents on both the allyl part and azaarenes. Catalysis with chiral phosphites is also demonstrated with synthetically useful yields and enantioselectivities.
}, doi = {10.1002/anie.201906681}, author = {Motaleb, Abdul and Rani, Soniya and Das, Tamal and Gonnade, Rajesh G. and Maity, Pradip} } @inbook {47476, title = {Photo sensor based on 2D materials}, booktitle = {Fundamentals and Sensing Applications of 2D Materials}, number = {Woodhead Publishing Series in Electronic and Optical Materials}, year = {2019}, pages = {465-479}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {This chapter starts with a general introduction to the interaction of light with matter and use of this principle for sensing. Photo-sensing devices based on two-dimensional (2D) materials are compared to conventional designs and their respective differences discussed in detail. A range of 2D materials are introduced with a generic comparison based on their individual properties and importance to the generation of a photoresponse. Besides transition-metal dichalcogenides, the chapter also deals with black phosphorous photosensor devices. Different heterostructure architectures based on 2D layered structures are investigated and their role in next generation optoelectronics is discussed.}, doi = {10.1016/B978-0-08-102577-2.00013-0}, author = {Late, Dattatray J. and Bhat, Anha and Rout, Chandra Sekhar} } @article {46439, title = {Photoexcited toluidine blue inhibits tau aggregation in Alzheimer{\textquoteright}s disease}, journal = {Acs Omega}, volume = {4}, year = {2019}, month = {NOV }, pages = {18793-18802}, type = {Article}, abstract = {
The aggregates of microtubule-associated protein Tau are considered as a major hallmark of Alzheimer{\textquoteright}s disease. Tau aggregates accumulate intracellularly leading to neuronal toxicity. Numerous approaches have been targeted against Tau protein aggregation, which include application of synthetic and natural compounds. Toluidine blue is a basic dye of phenothiazine family, which on irradiation with a 630 nm light gets converted into a photoexcited form, leading to generation of singlet oxygen species. Methylene blue is the parent compound of toluidine blue, which has been reported to be potent against tauopathy. In the present work, we studied the potency of toluidine blue and photoexcited toluidine blue against Tau aggregation. Biochemical and biophysical analyses using sodium dodecyl sulfate-polyacrylamide gel electrophoresis, ThS fluorescence, circular dichroism spectroscopy, and electron microscopy suggested that toluidine blue inhibited the aggregation of Tau in vitro. The photoexcited toluidine blue potentially dissolved the matured Tau fibrils, which indicated the disaggregation property of toluidine blue. The cell biology studies including the cytotoxicity assay and reactive oxygen species (ROS) production assay suggested toluidine blue to be a biocompatible dye as it reduced ROS levels and cell death. The photoexcited toluidine blue modulates the cytoskeleton network in cells, which was supported by immunofluorescence studies of neuronal cells. The studies in a UAS Tau E14 transgenic Drosophila model suggested that photoexcited toluidine blue was potent to restore the survival and memory deficits of Drosophila. The overall finding of our studies suggested toluidine blue to be a potent molecule in rescuing the Tau-mediated pathology by inhibiting its aggregation, reducing the cell death, and modulating the tubulin levels and behavioral characteristics of Drosophila. Thus, toluidine blue can be addressed as a potent molecule against Alzheimer{\textquoteright}s disease.
}, issn = {2470-1343}, doi = {10.1021/acsomega.9b02792}, author = {Dubey, Tushar and Nalini, Gorantla Vijay and Chandrashekara, Kagepura Thammaiah and Chinnathambi, Subashchandrabose} } @article {47165, title = {pH-responsive {\textquotedblleft}supra-amphiphilic{\textquotedblright} nanoparticles based on homoarginine polypeptides}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {AUG}, pages = {4162{\textendash}4172}, type = {Article}, abstract = {
pH-responsive {\textquotedblleft}supra-amphiphiles{\textquotedblright} based on double hydrophilic, positively charged block copolypeptides such as PEG-b-poly-l-lysine together with low molecular weight stimuli-sensitive partners that contain phosphate and carboxylate groups have been widely studied. In contrast, the other widely used cationic polypeptide poly-l-arginine whose cell-penetrating properties are well-known has been much less explored for the synthesis of supra-amphiphile-based nanomaterials. It is also known that the guanidine side chain of arginine binds to carboxylate anions with binding constants that are 2.5 times higher than the corresponding amines of poly-l-lysine. Here, we demonstrate the fabrication of pH-sensitive supra-amphiphilic nanoparticles by simple mixing of PEG2k-b-poly(homoarginine) block copolymer and carboxylic acid containing functional low molecular weight organic compounds. A high yielding three-step methodology was developed for the synthesis of ε-N,N'-di-Boc-l-homoarginine-α-N-carboxyanhydride which was polymerized using amine-terminated PEG (2000 MW) to yield 100\% guanine-functionalized polypeptide (PEG2k-b-PHR30) with controlled molecular weights and low PDIs. Incubation of PEG2k-b-PHR30 with four different carboxylic acids (including dexamethasone a glucocorticoid receptor used in cancer therapy) in water leads to the formation of {\textquotedblleft}supra-amphiphilic{\textquotedblright} nanoparticles (\<200 nm size) due to the charge neutralization resulting from the strong interaction between the guanidine group and the carboxylate group. All these nanoparticles were able to encapsulate the hydrophobic dye Nile red with varying efficiency. Although these assemblies were stable at neutral pH, upon lowering the pH of the solution between 4 and 5, the protonation of the carboxylic acids leads to disassembly of these nanoparticles. The cytotoxicity of all four {\textquotedblleft}supra-amphiphilic{\textquotedblright} nanoparticles varied depending on the carboxylic acid used for their fabrication. While the nanoparticle formed using dioctylbenzoic acid displayed 80\% cell viability at concentration of 60 μg/mL, those formed with the steroid deoxycholic acid or dexamethasone showed only 40\% cell viability at similar concentrations. Colocalization studies performed using epifluorescence microscopy demonstrate the successful uptake of intact dye-encapsulated nanoparticle inside the cell.
}, doi = {10.1021/acsabm.9b00432}, author = {Praveen, Korra and Das, Soumen and Dhaware, Vinita and Pandey, Bhawana and Mondal, Basudeb and Sengupta, Sayam} } @article {45536, title = {Phytochemical profile, anti-oxidant, anti-inflammatory, and anti-proliferative activities of Pogostemon deccanensis essential oils}, journal = {3 Biotech}, volume = {9}, year = {2019}, month = {JAN}, pages = {31}, type = {Article}, abstract = {
Essential oils (EOs) obtained from aerial parts of Pogostemon deccanensis were analyzed for GC-MS profiling, and evaluated for antioxidant, anti-inflammatory, and anti-proliferative activities. GC-MS analysis revealed a total of 47 constituents, establishing the EOs rich in sesquiterpene with \>20 sesquiterpenes constituting around 77\% of the total EO yield. Major constituents included Curzerene (Benzofuran, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-5-isopropenyl-, trans-) (26.39\%) and epi-Cadinol (22.68\%), Ethanone, 1-(2,4,6-trihydroxyphenyl) (6.83\%, Acetophenones), and Boldenone (3.47\%, anabolic steroid). EOs found to be rich in phytochemicals attributed for antioxidant potentials of aromatic/medicinal plants, viz., flavonoids (2.71 mu g quercetin equivalents g(-1) EO), total phenols (3.94 mu g gallic acid equivalents (GAE) g(-1) EO), carotenoids (14.3 mu g -carotene equivalents g(-1) EO), and ascorbic acid (2.21 mu g ascorbic acid equivalents g(-1) EO). P. deccanensis EOs exhibited striking antioxidant activities assessed by wide range of assays including ferric reducing antioxidant potential (FRAP, 255.3 GAE at 2 mu g mL(-1) EO), total antioxidant activity (TAA, 264.3 GAE at 2 mu g ml(-1)) of EO, DPPH (65\% inhibition at 2 mu g mL(-1)), and OH (58\% inhibition at 2 mu g mL(-1)) scavenging. Interestingly, EOs showed considerably higher anti-lipid peroxidation activity than the standard antioxidant molecule ascorbic acid, with 50\% protection by 1.29 mu g mL(-1) EO against 20.0 mu g mL(-1) standard. EOs showed strong anti-inflammatory activity with 50\% inhibition at 1.95 mu g mL(-1) EO. The anti-proliferative activity of EOs was tested against mouse cancer cell line and the EOs proved a potent anti-proliferative agent with only 2.1\% cell survival at 2 mu g mL(-1) EO, whereas the EOs were largely non-toxic-to-normal (non-cancerous) cells with approximately 80\% cell survival at the 2 mu g mL(-1) EOs. This being the first attempt of phytochemical profiling and wide array of biological activities of P. deccanensis EOs holds significance as the striking activities were observed at very low concentrations, in some cases at lower than the commercial standards, and has, therefore, great potential for pharmaceutical or commercial exploration.
}, keywords = {Anti-inflammatory activity, Anti-proliferative activity, Antioxidants, Cytotoxicity, Essential oils}, issn = {2190-572X}, doi = {10.1007/s13205-018-1560-0}, author = {Kumar, Vinay and Shriram, Varsha and Bhagat, Rani and Khare, Tushar and Kapse, Shivanjali and Kadoo, Narendra} } @article {46049, title = {Phyto-inspired cyclic peptides derived from plant Pin-II type protease inhibitor reactive center loops for crop protection from insect pests}, journal = {Biochimica ET Biophysica Acta-General Subjects}, volume = {1863}, year = {2019}, month = {AUG}, pages = {1254-1262}, type = {Article}, abstract = {
Background: Natural defence of plants against insect pests involves protease inhibitors (PIs) that interfere with insect digestive proteases. Pin-II type plant PIs are wound inducible upon insect damage and possess multiple inhibitory repeat domains that can inhibit trypsin and chymotrypsin-like proteases in the insect midgut. Yet, their agricultural ex-vivo application is limited due to large molecular size and environmental instability, which could be overcome by small peptides. Methods: Bicyclic peptides were designed by grafting Pin-II PIs derived reactive center loop (RCL) on synthetic tris(bromomethyl)benzene scaffold. In vitro binding with trypsin-like proteases was evaluated by biochemical and biophysical assays, followed by molecular dynamics simulations. In vivo effects on two major lepidopteran insect pests, Helicoverpa armigera and Spodoptera litura were studied upon feeding with peptide treated leaves. Affinity based pull down assays were used to identify target proteins in insect gut. Results: Bicyclic RCLs showed ten-fold enhanced protease inhibition compared to their linear counterparts. They exhibited feeding deterrence and growth reduction of lepidopteran insects. Bicyclic peptides predominantly interact with midgut serine proteases. Possible binding modes involve simultaneous interaction with the active site and specificity-determining residues of insect gut trypsin. Conclusion: Bicyclic peptides are potent inhibitors of serine proteases in the insect midgut. They cause feeding aversion and larval growth retardation. Bi-domain cyclic peptides interact with two sites on trypsin, leading to enhanced efficacy over linear RCL peptides. General significance: Bicyclic peptides mimic natural PIs by inhibiting insect proteases leading to growth reduction, thus, could be used as pest control molecules in agriculture.
}, keywords = {Cyclic peptide, Lepidoptera, Pest control, protease inhibitor, Reactive loop}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2019.05.003}, author = {Sailthedkar, Nidhi S. and Joshi, Rakesh S. and Yadav, Amit K. and Seal, Shubhendu and Fernandes, Moneesha and Giri, Ashok P.} } @article {46421, title = {pi-Extended cis-configured unsynimetrical squaraine dyes for dye-sensitized solar cells: panchromatic response}, journal = {ACS Applied Energy Materials}, volume = {2}, year = {2019}, month = {DEC}, pages = {8464-8472}, type = {Article}, abstract = {
{Light absorbing sensitizer is the heart of the third generation photovoltaic technologies such as dye sensitized solar cells. Despite possessing large extinction coefficients for the metal-free organic dyes, the light harvesting efficiency is limited with the narrow absorption 20 profile in either visible or NIR regions of the solar spectrum. Though monolayer formation of organic sensitizers on semiconducting metal oxide surface leads to dye-dye interaction that leads to broadening the absorption profile, the contribution of the aggregated state to the power conversion process is found out to be poor. Here, we have engineered far-red active pi-extended cis-configured unsymmetrical squaraine dyes with carboxylic acid and cycnoacetic acid as anchoring groups with controlled aggregation and panchromatic light absorption by including the steric and electronic factors. The presence of sp(3)-C (out-of-plane) and N-alkyl (in-plane) groups played an important role in modulating the assembly of the dyes on the TiO2 electrode; the cis-squaraine unit helps to extend the conjugation in the NIR region besides enhancing the visible transition and the incident photon-to-current conversion efficiency profile that showed the importance of anchoring groups for the panchromatic response. Dye PSQ10 showed solar-to electric conversion with an onset of 850 nm with the device performance of 7.0\% (V-oc = 0.581 V, J(sc) = 17.06 mA/cm(2)
}, keywords = {cis-squaraine dyes, Dye aggregation, Dye-sensitized solar cells, extended far-red absorption, panchromatic response}, issn = {2574-0962}, doi = {10.1021/acsaem.9b01341}, author = {Punitharasu, Vellimalai and Kavungathodi, Munavvar Fairoos Mele and Singh, Ambarish Kumar and Nithyanandhan, Jayaraj} } @article {46200, title = {p-Nitrophenylcarbonates: a new class of compounds for chemodosimetric colorimetric fluoride anion sensing detectable by the naked eye}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {FEB}, pages = {1830-1833}, type = {Article}, abstract = {
A new class of compounds containing the p-nitrophenylcarbonate motif is reported, that can selectively sense fluoride anions over other halide anions with a detection limit ranging from 0.29 to 0.48 mu M. The fluoride ion acts as nucleophile, leading to the liberation of p-nitrophenol, that is easily detectable and quantifiable colorimetrically.
}, keywords = {colorimetric sensing, p-nitrophenyl carbonate, selective fluoride detection}, issn = {2365-6549}, doi = {10.1002/slct.201803103}, author = {Yadav, Amit Kumar and Chilukuri, Harsha and Kumari, Linthoinganbi Raj and Karthikeyan, Muthukumarasamy and Fernandes, Moneesha} } @article {47172, title = {Polyesteramide of neem oil and its blends as an active nanomaterial for tissue regeneration}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {JUL}, pages = {3341{\textendash}3351}, type = {Article}, abstract = {
Neem oil gained importance due to its antibacterial properties. Therefore, it is extensively being used for various applications. Oils can be polymerized as a polyesteramide to extend their utility as biomaterials. In our studies, we synthesized polyesteramide from neem oil and various compositions of blends were prepared with the drug, chlorohexidine digluconate (CH) to develop a nanomaterial for tissue regeneration. The studies such as cytotoxicity, biodegradable, antibacterial, in vitro drug release, in vivo wound healing, and histopathological studies were performed to identify their potential for tissue regeneration. In vivo wound healing studies of the nanofiber mats with and without CH recorded a faster healing rate as compared to the commercial cream (povidone{\textendash}iodine). Most importantly, there was no requirement of repeated application of nanofiber mats during the treatment. The histopathology studies also suggested the re-epithelialization of the wounds. Hence, these nanomaterials are considered to be environmentally safe scaffolds for efficient tissue regeneration applications.
}, doi = {10.1021/acsabm.9b00354}, author = {Killi, Naresh and Pawar, Anil Tukaram and Gundloori, Rathna V. N.} } @article {46148, title = {Polyhydroxyalkanoates as biomaterials (vol 8, pg 1774, 2017)}, journal = {MedChemComm}, volume = {10}, year = {2019}, month = {APR }, pages = {621}, type = {Correction}, abstract = {
Correction for {\textquoteleft}Polyhydroxyalkanoates as biomaterials{\textquoteright} by Bhagyashri S. Thorat Gadgil et al., Med. Chem. Commun., 2017, 8, 1774-1787.
}, issn = {2040-2503}, doi = {10.1039/c9md90017a}, author = {Gadgil, Bhagyashri S. Thorat and Killi, Naresh and Rathna, Gundloori V. N.} } @article {46308, title = {Polylactic acid: synthesis and biomedical applications}, journal = {Journal of Applied Microbiology}, volume = {127}, year = {2019}, month = {DEC}, pages = {1612-1626}, type = {Review}, abstract = {
Social and economic development has driven considerable scientific and engineering efforts on the discovery, development and utilization of polymers. Polylactic acid (PLA) is one of the most promising biopolymers as it can be produced from nontoxic renewable feedstock. PLA has emerged as an important polymeric material for biomedical applications on account of its properties such as biocompatibility, biodegradability, mechanical strength and process ability. Lactic acid (LA) can be obtained by fermentation of sugars derived from renewable resources such as corn and sugarcane. PLA is thus an eco-friendly nontoxic polymer with features that permit use in the human body. Although PLA has a wide spectrum of applications, there are certain limitations such as slow degradation rate, hydrophobicity and low impact toughness associated with its use. Blending PLA with other polymers offers convenient options to improve associated properties or to generate novel PLA polymers/blends for target applications. A variety of PLA blends have been explored for various biomedical applications such as drug delivery, implants, sutures and tissue engineering. PLA and their copolymers are becoming widely used in tissue engineering for function restoration of impaired tissues due to their excellent biocompatibility and mechanical properties. The relationship between PLA material properties, manufacturing processes and development of products with desirable characteristics is described in this article. LA production, PLA synthesis and their applications in the biomedical field are also discussed.
}, keywords = {Biocompatible, biodegradable, drug delivery, implants, l- and d-lactic acid, polylactic acid}, issn = {1364-5072}, doi = {10.1111/jam.14290}, author = {Singhvi, M. S. and Zinjarde, S. S. and Gokhale, D. V.} } @article {46216, title = { Polysaccharide hydrogel incorporated carbon nanofiber microelectrode for designing neural interfaces }, journal = {Journal of Bionic Engineering}, volume = {16}, year = {2019}, month = {JULY}, pages = {696-710}, type = {Article}, abstract = {
Bionic devices are an integral part of human life, and continuous innovations in their design and functions with the help of nanotechnology has revolutionized the area of neuroscience and technology. Bio-interfaces play a key role in bionic devices such as neural implants for efficient transfer of the signal to smart prosthetics. We report here on the design of a new microelectrode, comprising Carbon Nanofiber (CNF) and a biopolymer, namely carboxymethyl xyloglucan (CMX) hydrogel inside the CNF, which enhances the current density across the interface. Microelectrode was prepared by in-situ cross-linking of CMX inside CNF, with optimized CMX: CNF ratio, resulting in continuous ionic channels confined within the hollow core of CNF. Electron microscopy images of microelectrodes illustrate the formation of CMX hydrogel network inside the CNF hollow core without wrapping its surface. The presence of hydrogel in the CNF was confirmed by Scanning Electron Microscope (SEM) and Transmission Electron Microscopy (TEM). The electrochemical studies indicate the enhancement in charge density as well as the active surface area of the microelectrodes due to the presence of CMX hydrogel network. These microelectrodes have great potential as neural interfaces for designing smart prosthetics with voluntary control.
}, doi = {10.1007/s42235-019-0056-x}, author = {Torris, Arun and Badiger, Manohar V.} } @inbook {47465, title = {Population balance-enabled model for batch and continuous crystallization processes}, booktitle = {Chemical Engineering in the Pharmaceutical Industry}, year = {2019}, publisher = {John Wiley \& Sons, Inc.}, organization = {John Wiley \& Sons, Inc.}, chapter = {28}, abstract = {
Crystallization is a critical unit operation in manufacturing of various active pharmaceutical ingredients and drugs. Irrespective of the large-scale use of crystallization in pharmaceutical manufacturing industry, crystallization is still considered as an art. Recently, quality by design (QbD) is gaining industry acceptance as an approach toward development and commercialization of the pharmaceutical drug molecules. In QbD, the unit operations and the process are designed and controlled to deliver specified quality attributes consistently. The proposed chapter is motivated by the necessity of the prediction of crystallization events like onset of the crystallization, nucleation, and growth during crystallization of active pharmaceutical ingredients. The chapter demonstrates the integrated use of population balance modeling framework for developing a fundamental understanding of the kinetic aspects of crystallization and correlating the developed understanding for scale-up and design for the crystallization processes. Efforts are made to discuss the impact of various critical process parameters like metastable zone width, scale effects, and residence time on crystal size during batch and continuous modes with the help of couple of case studies. The presented model and approach will be useful for implementing QbD for crystallizers.
}, doi = {10.1002/9781119600800.ch28}, author = {Pandit, Ajinkya and Bhambure, Rahul and Ranade, Vivek V.} } @article {47174, title = {Population genetic and phytochemical dataset of Saraca asoca: a traditionally important medicinal tree}, journal = {Data in Brief}, volume = {25}, year = {2019}, month = {AUG}, pages = {104173}, type = {Article}, abstract = {
The data presented in this article is in support of the research paper {\textquotedblleft}Genetic and phytochemical investigations for understanding population variability of the medicinally important tree Saraca asoca to help develop conservation strategies{\textquotedblright} Hegde et\ al., 2018. This article provides PCR based Inter-Simple Sequence Repeat (ISSR) and HPLC datasets of 106 individual samples of Saraca asoca collected from various geographical ranges of the Western Ghats of India. The ISSR data includes information on genetic diversity and images of population structures generated through amplified DNA products from samples of Saraca asoca leaf. Phytochemical data obtained from HPLC includes concentration (mg/g) of gallic acid (GA), catechin (CAT), and epicatechin (EPI). The data also presents information obtained from various statistical analysis viz. standard error of the mean values, distribution variables, prediction accuracy, and multiple logistic regression analysis.
}, doi = {10.1016/j.dib.2019.104173}, author = {Hegde, Satisha and Pai, Sandeep Ramchandra and Bhagwat, Rasika M. and Sainia, Archana and Rathore, Poonam Kanwar and Jalalpure, Sunil Satyappa and Hegde, Harsha Vasudev and Sugunan, Attayoor Purushottaman and Gupta, Vidya S. and Kholkute, Sanjiva D. and Roy, Subarna} } @article {46162, title = {Porosity switching in polymorphic porous organic cages with exceptional chemical stability}, journal = {Angewandte Chemie-International Edition}, volume = {58}, year = {2019}, month = {MAR}, pages = {4243-4247}, type = {Article}, abstract = {
Porous solids that can be switched between different forms with distinct physical properties are appealing candidates for separation, catalysis, and host-guest chemistry. In this regard, porous organic cages (POCs) are of profound interest because of their solution-state accessibility. However, the application of POCs is limited by poor chemical stability. Synthesis of an exceptionally stable imine-linked (4+6) porous organic cage (TpOMe-CDA) is reported using 2,4,6-trimethoxy-1,3,5-triformyl benzene (TpOMe) as a precursor aldehyde. Introduction of the -OMe functional group to the aldehyde creates significant steric and hydrophobic characteristics in the environment around the imine bonds that protects the cage molecules from hydrolysis in the presence of acids or bases. The electronic effect of the -OMe group also plays an important role in enhancing the stability of the reported POCs. As a consequence, TpOMe-CDA reveals exceptional chemical stability in neutral, acidic and basic conditions, even in 12m NaOH. Interestingly, TpOMe-CDA exists in three different porous and non-porous polymorphic forms (, , and ) with respect to differences in crystallographic packing and the orientation of the flexible methoxy groups. All of the polymorphs retain their crystallinity even after treatment with acids and bases. All the polymorphs of TpOMe-CDA differ significantly in their properties as well as morphology and could be reversibly switched in the presence of an external stimulus.
}, keywords = {chemical stability, Morphology, organic cages, polymorphism, porosity switching}, issn = {1433-7851}, doi = {10.1002/anie.201813773}, author = {Bera, Saibal and Dey, Kaushik and Pal, Tapan K. and Halder, Arjun and Tothadi, Srinu and Karak, Suvendu and Addicoat, Matthew and Banerjee, Rahul} } @article {47161, title = {Potent chitin-hydrolyzing enzyme from Myrothecium verrucaria affects growth and development of Helicoverpa armigera and plant fungal pathogens}, journal = {International Journal of Biological Macromolecules}, volume = {141}, year = {2019}, month = {DEC }, pages = {517-528}, type = {Article}, abstract = {
Chitin, a crucial structural and functional component of insects and fungi, serves as a target for pest management by utilizing novel chitinases. Here, we report the biocontrol potential of recombinant Myrothecium verrucaria endochitinase (rMvEChi) against insect pest and fungal pathogens. A complete ORF of MvEChi (1185 bp) was cloned and heterologously expressed in Escherichia coli. Structure based sequence alignment of MvEChi revealed the presence of conserved domains SXGG and DXXDXDXE specific for GH-18 family, involved in substrate binding and catalysis, respectively. rMvEChi (46.6 kDa) showed optimum pH and temperature as 7.0 and 30 degrees C, respectively. Furthermore, rMvEChi remained stable within the pH range of 6.0 to 8.0 and up to 40 degrees C. rMvEChi exhibited k(cat)/K-m values of 129.83 x 10(3) [(g/L)(-1) s(-1)] towards 4MU chitotrioside. Hydrolysis of chitooligosaccharides with various degrees of polymerization (DP) using rMvEChi indicated the release of DP2 as main end product with order of reaction as DP6 \> DP5 \> DP4 \> DP3. Bioassay of rMvEChi against Helicoverpa armigera displayed potent anti-feedant activity and induced mortality. In vitro antifungal activity against plant pathogenic fungi (Ustilago maydis and Bipolaris sorokiniana) exhibited significant inhibition of mycelium growth. These results suggest that MvEChi has significant potential in enzyme-based pest and pathogen management. (C) 2019 Elsevier B.V. All rights reserved.
}, keywords = {Biocontrol, endochitinase, Myrothecium verrucaria}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2019.09.031}, author = {Vidhate, Ravindra P. and Bhide, Amey J. and Gaikwad, Sushama M. and Giri, Ashok P.} } @article {46427, title = {Preparation and activity of copper-gallium nanocomposite catalysts for carbon dioxide hydrogenation to methanol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {58}, year = {2019}, month = {NOV}, pages = {21331-21340}, type = {Article}, abstract = {
Copper (Cu) nanocomposite catalysts with gallium (Ga) and aluminum (Al) were prepared using the simultaneous coprecipitation digestion method. The catalysts were characterized by N-2 adsorption, N2O titration, XRD (X-ray diffraction), H-2-TPR (H-2 temperature-programmed reduction), XPS (X-ray photoelectron spectroscopy), and CO2-TPD (CO2 temperature-programmed desorption) techniques, and CO2 hydrogenation to methanol synthesis was performed. The use of Ga in Cu catalysts enhanced the weak basic sites more than the Cu catalysts with Al. With the CuGa nanocomposite formation, the catalyst showed a sequential reduction of CuO, for example, Cu+2 to Cu+ to Cu-0, and the Cu surface area was also high in comparison with CuAl. These findings confirmed that both the Cu surface area and CuO reducibility in the catalyst helped to boost the conversion of CO2, whereas selectivity to methanol was associated with the basicity of the catalyst. CuAl catalysts showed very poor selectivity to methanol despite CO formation, which could be due to the weak interaction of the CuAl nanocomposite catalysts compared to the CuGa nanocomposite catalysts.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b04083}, author = {Hengne, Amol M. and Yuan, Ding Jier and Date, Nandan S. and Saih, Youssef and Kamble, Sanjay P. and Rode, V. Chandrashekhar and Huang, Kuo-Wei} } @article {46140, title = {Pressure-induced phase transitions in germanium telluride: raman signatures of anharmonicity and oxidation}, journal = {Physical Review Letters}, volume = {122}, year = {2019}, month = {APR }, pages = {145701}, type = {Article}, abstract = {
Pressure-induced phase transitions in GeTe, a prototype phase change material, have been studied to date with diffraction which is not sensitive to anharmonicity-induced dynamical effects. GeTe is also prone to surface oxidation which may compromise surface sensitive measurements. These factors could be responsible for the lack of clarity about the phases and transitions intervening in the phase diagram of GeTe. We have used high-pressure Raman scattering and ab initio pseudopotential density functional calculations to unambiguously establish the high-pressure phase diagram and identify three phases up to 57 GPa, a low-pressure rhombohedral phase, an intermediate pressure cubic phase, and a high-pressure orthorhombic phase. We detect substantial broadening and softening of Raman modes at low pressure and identify the transition regions and possible intermediate phases.
}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.122.145701}, author = {Pawbake, Amit and Bellin, Christophe and Paulatto, Lorenzo and Beneut, Keevin and Biscaras, Johan and Narayana, Chandrabhas and Late, Dattatray J. and Shukla, Abhay} } @article {46412, title = {Probing the catalytic activity of pristine and doped Pd and Ni metal clusters towards H2O molecule}, journal = {Computational and Theoretical Chemistry}, volume = {1170}, year = {2019}, month = {DEC }, pages = {112624}, type = {Article}, abstract = {
Electrolysis of H2O to produce molecular hydrogen, the most environment friendly and energy efficient fuel, using cost effective catalysts is one of the major global research challenges. To date, Pt remains the best suitable and yet highly expensive electro-catalyst for hydrogen evolution reaction. Design of an alternative cost-effective catalyst requires a fundamental molecular level understanding of the water molecule adsorption and its activation. In that context, we examine the adsorption and activation of water molecule on model alternative catalysts namely, Ni-6 and Pd-6 clusters using density functional theory based methodology. Ni-6 and Pd-6 clusters and their singly doped counterparts are used for this study. Mo, W, Fe, Co and Cu are used as doping elements. To quantify the influence of medium (neutral and alkaline) on the activation of the water molecule, Ni based clusters are considered in neutral and anionic states, respectively. The activity of these clusters towards H2O molecule is evaluated in terms of the adsorption energy, charge transfer, bandgap, red shift in O-H stretching frequency and dissociation barriers for H2O. The studies demonstrate that doping with Co in all the studied clusters (Pd-6, Ni-6 and anionic Ni-6) increases their activity. Best activity is noted for Fe doped neutral Ni b clusters with a dissociation barrier of 5.76 kcal/mol.
}, keywords = {Activation barrier, Ni clusters, O-H activation, Pd clusters, Red shift of O-H stretching frequency, Water adsorption}, issn = {2210-271X}, doi = {10.1016/j.comptc.2019.112624}, author = {Samal, Pragnya Paramita and Joshi, Krati and Kaliaperumal, Selvaraj and Krishnamurty, Sailaja} } @article {46209, title = {Probing the effect of selenium substitution in kesterite-Cu2ZnSnS4 nanocrystals prepared by hot injection method}, journal = {Journal of Materials Science-Materials in Electronics }, volume = {30}, year = {2019}, month = {AUG}, pages = {14781-14790}, type = {Article}, abstract = {
In this paper, we report the effect of sulfur (S) substitution with selenium (Se) in CZTS nanocrystals prepared by hot injection method. The formation of kesterite-copper zinc tin sulfide (Cu2ZnSnS4, CZTS) and copper zinc tin selenide (Cu2ZnSnSe4, CZTSe) nanocrystals is confirmed by X-ray diffraction (XRD), Raman spectroscopy and transmission electron microscopy (TEM) analysis. The XRD, TEM and atomic force microscopy (AFM) analysis shows an overall increase in average crystallite size upon Se substitution. AFM images revealed an increase in root mean square surface roughness (S-q) and average surface roughness (S-a) when S in CZTS is replaced by Se. The substitution of S by Se in host CZTS narrows the optical band gap from 1.56 to 1.03 eV. The ultraviolet photoelectron spectroscopy (UPS) analysis shows shift in valence band and conduction band edge in CZTSe compared to CZTS. The photocurrent density measurement in synthesized CZTSe thin films is similar to 4 to 5 times higher than CZTS thin films. The obtained results show that CZTSe can be a promising candidate as absorber material in photovoltaic applications.
}, doi = {10.1007/s10854-019-01851-7}, author = {Pandharkar, Subhash and Rondiya, Sachin and Bhorde, Ajinkya and Nair, Shruthi and Aher, Rahul and Vairale, Priti and Waghmare, Ashish and Naik, Dhirsing and Waykar, Ravindra and Jadhav, Yogesh} } @article {45533, title = {Process development of silica extraction from RHA: a cradle to gate environmental impact approach}, journal = {Environmental Science and Pollution Research}, volume = {26}, year = {2019}, month = {JAN}, pages = {492-500}, type = {Article}, abstract = {
India is one of the major rice-producing countries. Rice husk is a major agricultural by-product from rice production, which is used as a fuel in boilers. Its use as fuel produces huge amounts of silica-rich rice husk ash (RHA). This paper aims at providing an overall assessment of environmental impacts associated with the extraction of silica from RHAa process developed by our study group. The functional unit used in this study is production of 100kg of silica. The analysis included the extraction and transportation of other raw materials; RHA was assumed to be processed at the site. The study was conducted in accordance with the international ISO 14040 procedural framework. LCA is performed using GaBi Education software, and five midpoint indicators are chosen to assess the environmental impacts of silica extraction. The overall climate change (CC) of the extraction process is 7.26kg CO2 equivalent per kg of silica produced. A high contribution of calcination to CC is attributed to the use of electricity. The comprehensive environmental impacts of silica-rich RHA resulting from processing of RHA and improvement options to achieve sustainable production are presented. The negative impacts that can be avoided during silica extraction are also discussed. It is observed that calcination is a major contributor to the overall environmental indicators. The work also stresses on the use of renewable energy for electricity generation, which would help in decreasing the overall greenhouse gas emissions during extraction while ensuring waste utilization.
}, keywords = {Environmental impacts, Life cycle assessment, Rice husk ash, silica}, issn = {0944-1344}, doi = {10.1007/s11356-018-3648-9}, author = {Joglekar, Saurabh N. and Kharkar, Rhushikesh A. and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article {45618, title = {Process of fruit peel waste biorefinery: a case study of citrus waste biorefinery, its environmental impacts and recommendations}, journal = {Environmental Science and Pollution Research}, year = {2019}, month = {JAN}, pages = {1-10}, type = {Article}, abstract = {
Fruit peels are a rich source of cellulose, hemicellulose, phenolic compounds, and terpenic compounds. Thus, they have the potential to be a novel renewable, sustainable, and low-cost raw material (source) for the production of several value-added products based on framework and concepts such as waste hierarchy that includes biofertilizers, dietary fiber, animal feed, industrial enzymes, substrate for the bioactive compounds production, synthesis of nanomaterials, and clean energy (from residual biomass). With a view of evaluating the environmental burden of biorefinery, a life cycle assessment (LCA) is performed for a representative citrus waste (CW) biorefinery. The functional unit used for LCA was set as 2500 kg of CW processed. The overall GWP was observed to be 937.3 kg CO2 equivalent per 2500 kg of CW processed. On further analysis of the environmental impact, it was found that different steps contributed significantly, as shown by the various environmental indicator values. Alternative advanced process intensification technologies like microwave and ultrasound-assisted steps replacing the conventional steps when implemented show considerable reduction in environmental indicator values. The variations in the contribution to environmental indicators should be considered during the design and process selection of biorefineries.
}, doi = {10.1007/s11356-019-04196-0}, author = {Joglekar S.N., , , and Pathak, P. D. and Mandavgane, S. A. and Kulkarni, B. D.} } @article {45554, title = {Progress in total synthesis of subincanadine alkaloids and their congeners}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {JAN}, pages = {745-761}, type = {Article}, abstract = {
A concise account of isolation, characterization, bioactivity, plausible biogenetic pathways, and most importantly, total synthesis of structurally fascinating and biologically imperious indole-based subincanadine alkaloids and their biogenetic congeners are described in the present review with special emphasis on total synthesis and therein an involved set of key reactions.
}, issn = {1477-0520}, doi = {10.1039/c8ob02565g}, author = {Kalshetti, Manojkumar G. and Argade, Narshinha P.} } @article {46352, title = {Proline catalyzed sequential alpha-amination/ Prins/ Ritter amidation of aldehydes: new method of construction of tetrahydropyran units}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {58}, year = {2019}, month = {SEP}, pages = {1019-1028}, type = {Article}, abstract = {
An efficient {\textquoteleft}{\textquoteleft}one-pot{\textquoteright}{\textquoteright} synthetic method toward highly substituted tetrahydrofuran (THP) units is reported. The key transformation involves an atom-efficient sequential proline catalyzed alpha-amination of aldehydes to give alpha-aminated aldehydes in situ and the subsequent cyclomerization with homoallylic alcohols under Prins/Ritter conditions. Notably, this method provides access to enantiopure 1,2-syn and 1,4-anti diamino alcohols via reductive ring opening of THP units.
}, keywords = {alpha-aminoxylation, organocatalysis, Proline catalyzed, sequential, tetrahydropyran unit}, issn = {0376-4699}, author = {Ahuja, Brijbhushan and Gadakh, Sunita and Sudalai, Arumugam} } @article {46158, title = {Promising visible-light driven hydrogen production from water on a highly efficient CuCo2S4 nanosheet photocatalyst}, journal = {Journal of Materials Chemistry A}, volume = {7}, year = {2019}, month = {MAR }, pages = {6985-6994}, type = {Article}, abstract = {
Here we report the development of CuCo2S4 nanosheets (NSs) as a promising semiconductor photocatalyst for the first time for water splitting reactions under visible light ( 420 nm) conditions, without the support of any noble metal co-catalyst. These NSs were produced via a simple hydrothermal route and have desirable properties with a band gap of 2.24 eV, and are photo-catalytically active under visible light with an apparent quantum yield (AQY) of 2.48\%. Under visible light, CuCo2S4 NSs exhibit excellent weight-normalized photoactivity that generates approximate to 25900 mol h(-1) H-2 for 1 g of material with sulphide + sulphite as the sacrificial agent under 7.68 mW cm(-2) illumination, which is the best evolution reported for any chalcogenide semiconductor material without any co-catalyst to date with unprecedented long-term operational stability (up to 12 h study time). The rate and number of hydrogen gas molecules produced are 8.2855 x 10(15) s(-1) cm(-2) which remained constant for three catalytic cycles with a turnover frequency (TOF) value of 0.017 s(-1). The effect of Cu substitution on photoactivity was also investigated for comparative studies and it was found that CuCo2S4 NSs show superior activity to Cu0.5Co2.5S4 and Co3S4. These CuCo2S4 NSs absorb the entire visible range of the spectrum from 420 to 800 nm, and have a highly populated density of states at the Fermi level and a high donor concentration of 7.22 x 10(18) cm(-3) which have been evaluated by Mott-Schottky analysis and favourable adsorption of H+ on S-sites and conversion to H-2 corroborate their efficient photocatalytic activity.
}, issn = {2050-7488}, doi = {10.1039/c9ta00391f}, author = {Chauhan, Meenakshi and Soni, Kiran and Karthik, P. E. and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {45625, title = {Protein α-amylase inhibitor from withania somnifera and its role in overall quality and nutritional value improvement of potato chips during processing}, journal = {Food and Bioprocess Technology }, volume = {12}, year = {2019}, month = {APR}, pages = {636-644}, type = {Article}, chapter = {636-644}, abstract = {
Cold storage and processing increase the reducing sugar level in potato (Solanum tuberosum L.) which is responsible for browning and acrylamide formation that adversely affect sensory and nutrient quality of chips. Effect of α-amylase inhibitor from Withania somnifera (WSAI) treatment on the overall quality improvement of potato chips during processing was studied. WSAI treatment to potato slices at 200 ppm for 30 min was found to reduce browning (60\%), residual amylase, and polyphenol oxidase activities (~ 40\%) and reduce sugar level by 25\%, respectively, over control. Color match analysis indicated an improvement in whiteness and brightness indices and a significant reduction in yellowness index of potato chips. The treatment proved to be superior over blanching and reduction in acrylamide generation during frying was which also observed in chips treated with it. Furthermore, our results were comparable to that of treatment with α-amylase inhibitor of Triticum aestivum and better than synthetic inhibitor, acarbose.
}, keywords = {Acrylamide, alpha-amylase inhibitor, Browning of potato, Reducing sugars, Sensory and nutrient quality}, issn = {1935-5130}, doi = {10.1007/s11947-019-2233-7 }, author = {Kasar, S. S. and Giri, A. P. and Pawar, P. K. and Maheshwari, V. L.} } @article {46242, title = {Protein-capped metal nanoparticles inhibit tau aggregation in alzheimer{\textquoteright}s disease}, journal = {Acs Omega}, volume = {4}, year = {2019}, month = {JULY}, pages = {12833-12840}, type = {Article}, abstract = {
The Alzheimer{\textquoteright}s disease (AD) therapeutic research is yielding a large number of potent molecules. The nanoparticle-based therapeutics against the protein aggregation in AD is also taking a lead especially with amyloid-beta as a primary target. In this work, we have screened for the first time protein-capped (PC) metal nanoparticles for their potency in inhibiting Tau aggregation in vitro. We present a novel function of PC-Fe3O4 and PC-CdS nanoparticles as potent Tau aggregation inhibitors by fluorescence spectrometry, sodium dodecyl sulfate-polyacrylamide gel electrophoresis, and electron microscopy. We demonstrate that the biologically synthesized PC-metal nanoparticles, especially iron oxide do not affect the viability of neuroblastoma cells. Moreover, PC-CdS nanoparticles show dual properties of inhibition and disaggregation of Tau. Thus, the nanoparticles can take a lead as potent Tau aggregation inhibitors and can be modified for specific drug delivery due to their very small size. The current work presents unprecedented strategy to design anti-Tau aggregation drugs, which provides interesting insights to understand the role of biological nanostructures in Alzheimer{\textquoteright}s disease.
\
}, doi = {10.1021/acsomega.9b01411}, author = {Sonawane, Shweta Kishor and Ahmad, Absar and Chinnathambi, Subashchandrabose} } @article {46146, title = {Proteins as nanocarriers to regulate parenteral delivery of tramadol}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {APR}, pages = {6301-6310}, type = {Article}, abstract = {
Tramadol (Td) is a centrally acting opioid analgesic drug used for the treatment of moderate to severe pain. However, the half-life of Td is about 6-8 h, which is a major drawback. To increase the half-life of Td, it needs to be entrapped in a suitable substrate with the capability to release the drug for an extended period of time. Accordingly, in our studies, new protein blends in various compositions were prepared using hydrophilic (egg albumin) and hydrophobic (zein) proteins and fabricated them as nanoparticles with Td by the desolvation method. The prepared nanoparticles were characterized using analytical techniques. The morphology and diameter of the nanoparticles were determined by an environmental scanning electron microscope. The interactions between Td and proteins were confirmed by fluorescence spectroscopy, and the secondary structural changes were evaluated by circular dichroism. The hemolysis test and MTT assay indicated that the nanoparticles were nontoxic, and drug release studies showed an extended duration of release of Td for more than 48 h. The mechanism of the drug release followed the zero order. The overall studies inferred that these protein based nanoparticles have potential to release Td at a slow rate for an extended period of time. Further manipulation of the protein composition may regulate the duration of Td release for an effective therapy.
}, issn = {2470-1343}, doi = {10.1021/acsomega.8b02060}, author = {Agrawal, Shubhang and Patel, Pratikshkumar R. and Gundloori, Rathna Venkata Naga} } @article {46153, title = {Puzzle of highly virulent Metarhizium anisopliae strains from Annona squamosa fields against Helicoverpa armigera}, journal = {Journal of Basic Microbiology}, volume = {59}, year = {2019}, month = {APR}, pages = {392-401}, type = {Article}, abstract = {
In our search for indigenous virulent strains of the entomopathogenic fungi, we observed that Metarhizium isolates from soils associated with Annona squamosa (custard apple) have higher virulence (\>90\% mortality of Helicoverpa armigera larvae at 1/10(th) spore concentration) than strains isolated from Solanum lycopersicum (tomato) fields. Proteomic analysis revealed two insecticidal cyclopeptides of A. squamosa origin in the M. anisopliae strains that led to higher virulence against H. armigera. Transcriptomic and genomic data indicated that M. anisopliae strains and A. squamosa had more than 20 genes in common, including those for cyclic hexapeptide synthase, non-ribosomal peptide synthetase, and plant cyclotide genes, which are involved in the biosynthesis of insecticidal cyclopeptides. These genes were absent in M. anisopliae strains isolated from the S. lycopersicum fields. Further, these strains can establish an endophytic relationship with A. squamosa suggesting that these rhizospheric strains originally could be endophytes, which were eventually released into the soil. Further, Metarhizium strains associated with Capsicum annuum (chili), Azadirachta indica (neem), and Carica papaya (papaya) - plants with insecticidal properties - also had higher virulence against H. armigera. Thus exploration of rhizospheres of plants producing insecticidal metabolites to isolate entomopathogenic fungi, per se, could be a viable strategy in agricultural for crop protection.
}, keywords = {Annona squamosa, Biocontrol, endophyte, entomopathogen, Helicoverpa armigera, horizontal gene transfer, insecticidal peptides, Metarhizium, natural transformation}, issn = {0233-111X}, doi = {10.1002/jobm.201800631}, author = {Pathan, Ejaj K. and Deshpande, Mukund V.} } @article {46020, title = {Pyridine immobilised on magnetic silica as an efficient solid base catalyst for Knoevenagel condensation of furfural with acetyl acetone}, journal = {Catalysis Communications}, volume = {124}, year = {2019}, month = {MAY }, pages = {81-85}, type = {Article}, abstract = {
Novel heterogeneous pyridine immobilised magnetic silica (Fe3O4@SiO2-Py) was found to be an efficient, greener and heterogeneous solid base catalyst for the Knoevenagel condensation of furfural with acetylacetone under optimized reaction conditions. The Knoevenagel condensation product 3-(2-furylmethylene)-2,4-pentanedione (FMP), a jet fuel precursor, was produced in high yield of 85\% with 94\% conversion of furfural at 100 degrees C within a period of 4 h. Fe3O4@SiO2-Py catalyst showed excellent stability and recyclability without losing its initial activity.
}, keywords = {furfural, Jet fuel, Knoevenagel condensation, Silica immobilised pyridine, Solid base}, issn = {1566-7367}, doi = {10.1016/j.catcom.2019.03.005}, author = {Tarade, Komal and Shinde, Suhas and Sakate, Sachin and Rode, Chandrashekhar} } @article {46007, title = {Quantification of niclosamide polymorphic forms - a comparative study by Raman, NIR and MIR using chemometric techniques}, journal = {Talanta}, volume = {199}, year = {2019}, month = {JUL }, pages = {679-688}, type = {Article}, abstract = {
Niclosamide, an anthelmintic drug recently repurposed for its activity against cancer, crystallizes into three solvated forms, two monohydrates (NHa, NHb) and one anhydrous (NAn) form. NAn is sensitive to pseudopolymorphic transformations that affect its dissolution and consequently, its bioavailability. NAn exhibits a polymorphic conversion to metastable monohydrate (NHa) form during high-energy milling in presence of poorly soluble solvents like water. It is hence very important to quantify polymorphic conversion from NAn to NHa, as water is a commonly used solvent during various processing like ball milling and wet granulation. This main objective of the study was to examine the feasibility of Raman, NIR and MIR spectroscopic techniques for identification and quantification of polymorphic forms of niclosamide in binary mixtures and multicomponent mixtures. Calibration models were developed and validated by vibrational spectroscopic techniques in binary mixtures of NAn and NHa and in multicomponent mixtures by chemometric techniques. These techniques were further used to identify and quantify NHa during ball milling, granulation and in presence of other polymorphic forms of niclosamide. Identification and quantification of pseudopolymorphs in binary and multicomponent mixtures with an acceptable recovery of 100.13-102.99\% for Raman and 100.07-101.28\% for NIR with low \% RSD of 2.38-3.12 for both techniques were obtained. The \% NHa determined during ball milling and granulation was similar by NIR and Raman. Raman spectroscopy however showed a greater advantage over other techniques in determining the NHa in presence of NHb due to significant difference in the spectral region of hydrates, when compared to NIR and MIR.
}, keywords = {Ball milling, Granulation, MSC, PLS, Polymorphic conversion, spectroscopy}, issn = {0039-9140}, doi = {10.1016/j.talanta.2019.03.027}, author = {Bhavana, Valmala and Chavan, Rahul B. and Mannava, M. K. Chaitanya and Nangia, Ashwini and Shastri, Nalini R.} } @article {45565, title = {Quantitative comparison of strategies to delay clogging in straight capillaries}, journal = {Chemical Engineering Science}, volume = {199}, year = {2019}, month = {MAY}, pages = {88-99}, type = {Article}, abstract = {It is challenging to achieve non-stop flow of a liquid-solid suspension through small channels as it eventually leads to clogging. This paper presents a quantitative comparison of four different techniques for enhancement of solid handling processes in microchannels of two different diameters. These techniques include dosing of the inert gas phase, dosing of the inert and immiscible liquid phase, and changing the wall wettability and multi-point injection, which, in principle, individually follow different mechanisms to delay clogging. An antisolvent based method for precipitation of salt was used to generate solid particles during flow. Clogging time at various flow rates from all the methods was measured and analysed. Irrespective of the method of delaying clogging, the scaling law of clogging time as a function of residence time was seen to remain unchanged. Among these methods, dosing of an inert, immiscible liquid has been identified as the most effective and robust method to delay clogging while enhancing transport of particles in segmented flow.}, doi = {10.1016/j.ces.2019.01.015}, author = {Pal, S. and Kulkarni, A. A.} } @article {46236, title = {Raman and Na-23 solid-state NMR studies on the lead-free ferroelectrics Bi-0.5(Na1-xKx)(0.5)TiO3 in the morphotropic phase boundary region}, journal = {Materials Research Bulletin}, volume = {118}, year = {2019}, month = {OCT}, type = {Article}, abstract = {
The local structural changes, due to the substitution of the smaller Na+ by the larger K+ ion, in the lead-free piezoelectric ceramic compositions Bi-0.5(Na1-xKx)(0.5)TiO3 have been studied using Raman and Na-23 solid-state NMR spectroscopy. Different close compositions in the solid solution series Bi-0.5(Na1-xKx)(0.5)TiO3 (0 \<= x \<= 0.36, Delta x = 0.02) are studied in the morphotropic phase boundary (MPB) region arising from the different crystal structures of the end members Bi0.5Na0.5TiO3 and Bi0.5K0.5TiO3. Close correlations between the Raman and NMR parameters with the performance parameters of the system have been observed, suggesting the role of the local structural changes in determining these parameters. Raman and Na-23 NMR studies showed that the onset of the MPB region is at x = 0.16 and the MPB region corresponds to 0.16 \<= x \<= 0.24 where better performance parameters are observed.
}, doi = {10.1016/j.materresbull.2019.110506}, author = {Anjali, K. and Ajithkumar, T. G. and Joy, P. A.} } @article {46109, title = {Rapid and efficient sequestration of arsenic from contaminated water using hypertolerant Bacillus L-148 sp.: a two-step process}, journal = {Green Chemistry}, volume = {21}, year = {2019}, month = {MAY }, pages = {2245-2251}, type = {Article}, abstract = {
A fast, robust and green bioreactor for arsenic sequestration from contaminated water was designed. In the two-tier bioreactor, bacterial arsenite detoxification (1 mM) was carried out followed by precipitation of arsenate in 5 min. The precipitate could be used for supercapacitor applications. This bioreactor yielded arsenic free water, therefore, this method can be adopted for scale-up. The combination of hypertolerant bacteria and fast precipitation indicates the robustness of this pilot bioreactor.
}, issn = {1463-9262}, doi = {10.1039/c9gc00878k}, author = {Bagade, Aditi and Nandre, Vinod and Ghosh, Sayanti and Battu, Shateesh and Haram, Santosh and Giri, Ashok and Kodam, Kisan} } @article {45569, title = {Rapid and greener method for utilization of plaster of paris (POP) waste generated from biomedical samples}, journal = {International Journal of Environmental Science and Technology}, volume = {16}, year = {2019}, month = {OCT}, pages = {2475-2480}, type = {Article}, abstract = {
Plaster of Paris (POP) is one of the recalcitrant wastes generated from dentistry and orthopaedic materials used in healthcare sector. The current practice of disposal of POP waste-harbouring biomedical material by incineration is very critical and environmentally unfriendly. The eco-friendly and rapid disintegration of such biomedical-related POP waste was done by treating with ammonium bicarbonate solution (20\% w/v ABC) to form non-hazardous products like ammonium sulphate and calcium carbonate in the form of sludge. The ammonium sulphate (NH4)2SO4 is generally used in agriculture as a chemical fertilizer and calcium carbonate (CaCO3) as an additive in construction sector making this process cost-effective and value addition. Interestingly, 20\% ABC solution also had significant antibiofilm, antimicrobial activity against fungi, yeast and bacterial strains probably due to its high pH-driven osmotic effect. Therefore, 20\% ABC solution finds dual eco-friendly application in disinfection of used POP, especially arising from biomedical waste from patients.
}, keywords = {Biomedical waste, Eco-friendly disintegration, Plaster of Paris waste}, issn = {1735-1472}, doi = {10.1007/s13762-018-2070-7}, author = {Navale, G.R. and Gohil, K.N. and Puppala, K.R. and Shinde, S.S. and Umbarkar, S. and Dharne, M.S.} } @article {46057, title = {Realization of efficient field emitter based on reduced graphene oxide-Bi2S3 heterostructures}, journal = {Physica Status Solidi A-Applications and Materials Science}, year = {2019}, month = {JUL}, pages = {1900121}, type = {Article; Early Access}, abstract = {
Herein, Bi2S3 nanorods and reduced graphene oxide (rGO)-Bi2S3 heterostructures are synthesized using a simple hydrothermal method. The structural, morphological, chemical, and elemental analysis of as-synthesized materials is performed using X-ray diffraction (XRD), Raman spectroscopy, field-emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). Field emission (FE) studies are carried out on both pristine Bi2S3 nanorods and rGO-Bi2S3 heterostructure samples at a base pressure of approximate to 1 x 10(-8) mbar. The results show that the rGO-Bi2S3 heterostructure emitter has superior FE performance compared to pristine Bi2S3 emitters in terms of the turn-on field (2.6 V mu m(-1) at 10 mu A cm(-2)) and threshold field (4.0 V mu m(-1) at 100 mu A cm(-2)) along with a high emission current density of approximate to 1464 mu A cm(-2) at an applied electric field of 7.0 V mu m(-1). The rGO-Bi2S3 heterostructure emitter exhibits very good emission current stability, tested for more than 3 h duration, characterized by standard deviation values approximate to 2.84 and 4.06, corresponding to preset values 12 and 100 mu A. This study implies that one-step hydrothermal route can be efficiently used to synthesize organic-inorganic heterostructures that possess unique morphology. Furthermore, the synthesized rGO-Bi2S3 heterostructure emitter shows potential as an electron source for practical application in vacuum microelectronic devices.
}, keywords = {Bi2S3, field emission, Heterostructures, Nanorods, Reduced graphene oxide}, issn = {1862-6300}, doi = {10.1002/pssa.201900121}, author = {Gote, Gorkshnath H. and Bhopale, Somnath R. and More, Mahendra A. and Late, Dattatray J.} } @article {46202, title = { Recent advances in the synthesis of oxaspirolactones and their application in the total synthesis of related natural products }, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {AUG}, pages = {7270-7292}, type = {Review}, abstract = {
Oxaspirolactones are ubiquitous structural motifs found in natural products and synthetic molecules with a diverse biochemical and physicochemical profile, and represent a valuable target in natural product chemistry and medicinal chemistry. Since the 1970s, numerous innovative synthetic methodologies have been reported for these scaffolds in the context of expanding the range of potential building blocks, catalysts, and modes of transformations (racemic or asymmetric protocols). This review focuses on a broad spectrum of approaches toward the synthesis of oxaspirolactones and their potential application in the total synthesis of biologically relevant natural products starting from the first disclosure to the latest report.
}, doi = {10.1039/c9ob01212e}, author = {Thorat, Sagar S}, editor = {Kontham, Ravindar} } @article {46358, title = {Recursive partitioning analysis and anti-tubercular screening of 3-aminopyrazine-2-carbohydrazide derivatives}, journal = {Letters in Drug Design \& Discovery}, volume = {16}, year = {2019}, month = {APR}, pages = {1264-1275}, type = {Article}, abstract = {
Background: Treating tuberculosis is a challenge due to the development of drug resistance. Hence, it is imperative to develop novel leads having high potency and efficacy to curb drug resistance. Methods: The present research work is focused on microwave-assisted synthesis of novel twenty-six 3-amino-N{\textquoteright}-benzylidenepyrazine-2-carbohydrazide derivatives (3a-z), where, lyophilization technique was used for isolation of the major intermediate, 3-aminopyrazin-2-carbohydrazide. All synthesized compounds were subjected for anti-tubercular screening against Mycobacterium tuberculosis H37Ra by using XTT Reduction Menadione Assay (XRMA) protocol. Results: Out of 26 synthesized compounds, four N{\textquoteright}-substitutedbenzaldehyde-3-amino-pyrazine-2-carbohydrazide derivatives viz. 3i, 3j 3v and 3z showed significant activity against M. tuberculosis H37Ra. The compounds 3i, 3j, 3v and 3z showed 99, 98, 92 and 87 \% inhibition respectively as compared to 94\% inhibition shown by the standard drug rifampicin. The MIC and IC50 values were in the range of 24.3-110 and 5.9-20.8 mu g/ml respectively. Conclusion: A classification model called Recursive Partitioning (RP) based on binary Quantitative Structure-Activity Relationship (QSAR) was derived for the establishment of structure-activity relationship (SAR). The predictions derived on the basis of RP model were found to be in agreement with anti-tubercular screening data.
}, keywords = {3-aminopyrazine, anti-tubercular activity, Carbohydrazide, lyophilization, QSAR, recursive partitioning}, issn = {1570-1808}, doi = {10.2174/1570180816666190329222636}, author = {Miniyar, Pankaj and Mahajan, Anand and Anuse, Dattatray and Kumar, Ashish and Barmade, Mahesh and Sarkar, Dhiman and Arkile, Manisha and Khedkar, Vijay} } @article {46332, title = {Regioselective one-pot synthesis of 3-fluoro-imidazo[1,2-a]pyridines from styrene}, journal = {Asian Journal of Organic Chemistry}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {
A one-pot synthesis of C-3 fluorinated imidazopyridines (F-IMPY) is reported under the additive-free conditions from commercially available styrene and 1-fluoropyridinium tetrafluoroborate as a fluorine source. The substrate styrene undergoes keto-bromination/condensation/fluorination transformation in three sequential steps to furnish F-IMPY. This one-pot synthesis method exhibits broad substrate scope and good functional group tolerance with a good yield (up to 82\%).
}, keywords = {fluorination, imidazopyridines (F-IMPY), One-pot synthesis}, issn = {2193-5807}, doi = {10.1002/ajoc.201900521}, author = {Said, Madhukar S. and Mishra, Ankita and Pandole, Satish and Nayak, Rashmi A. and Kumar, Pradeep and Gajbhiye, Jayant M.} } @article {46056, title = {Regioselective oxidation of indoles to 2-oxindoles}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {JUL}, pages = {6671-6677}, type = {Article}, abstract = {
Facile regioselective oxidation of indoles to 2-oxindoles promoted by sulfuric acid adsorbed on silica gel is reported. The demonstrated practical site-selective heterogeneous oxidation reactions conveniently take place with a broad substrate scope and functional group tolerances. The present oxidation strategy is also employed to accomplish the total synthesis of natural products donaxaridine and donaxarine. On the basis of analytical and spectral data it is evidenced that donaxarine stays in equilibrium with its hydrated ring opened form. The structural features essential for this type of oxidation and plausible mechanism are discussed in brief.
}, issn = {1477-0520}, doi = {10.1039/c9ob00764d}, author = {Shelar, Santosh V. and Argade, Narshinha P.} } @article {46240, title = {Relativistic coupled-cluster investigation of parity (P) and time-reversal (T) symmetry violations in HgF}, journal = {Journal of Chemical Physics}, volume = {150}, year = {2019}, month = {FEB}, type = {Article}, abstract = {
We employ the Z-vector method in the four-component relativistic coupled-cluster framework to calculate the parity (P) and time-reversal (T) symmetry violating scalar-pseudoscalar nucleus-electron interaction constant (W-s), the effective electric field (E-eff) experienced by the unpaired electron, and the nuclear magnetic quadrupole moment-electron interaction constant (W-M) in the open-shell ground electronic state of HgF. The molecular frame dipole moment and the magnetic hyperfine structure (HFS) constant of the molecule are also calculated at the same level of theory. The outcome of our study is that HgF has a high value of E-eff (115.9 GV/cm), W-s (266.4 kHz), and W-M (3.59 x 10(33) Hz/e cm(2)), which shows that it can be a possible candidate for the search of new physics beyond the standard model. Our results are in good agreement with the available literature values. Furthermore, we investigate the effect of the basis set and the virtual energy functions on the computed properties. The role of the high-energy virtual spinors is found to be significant in the calculation of the HFS constant and the P,T-odd interaction coefficients. Published under license by AIP Publishing.
}, doi = {10.1063/1.5083000}, author = {Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {46187, title = {Remarkably distinct mechanical flexibility in three structurally similar semiconducting organic crystals studied by nanoindentation and molecular dynamics}, journal = {Chemistry of Materials}, volume = {31}, year = {2019}, month = {FEB}, pages = {1391-1402}, type = {Article}, abstract = {
Distinct macroscopic mechanical responses of the three crystals of naphthalene diimide derivatives, 1Me, 1Et, and 1nPr, studied here are very intriguing because their molecular structures are very similar, with the difference only in the alkyl chain length. Among the three crystals examined, 1Me shows highly plastic bending nature, 1Et shows elastic flexibility, and 1nPr is brittle. A detailed investigation by nanoindentation and molecular dynamics (MD) simulations allowed us to correlate their distinct mechanical responses with the way the weak interactions pack in crystal structures. The elastic modulus (E) of 1Me is nearly an order of magnitude lower than that of 1Et, whereas hardness (H) is less than half. The low values of E and H of 1Me indicate that these crystals are highly compliant and offer a low resistance to plastic flow. As the knowledge of hardness and elastic modulus of molecular crystals alone is insufficient to capture their macroscopic mechanical deformation nature, that is, elastic, brittle, or plastic, we have employed three-point bending tests using the nanoindentation technique. This allowed a quantitative evaluation of flexibility of the three mechanically distinct semiconducting molecular crystals, which is important for designing larger-scale applications; these were complemented with detailed MD simulations. The elastic 1Et crystals showed remarkable flexibility even after 1000 cycles. The results emphasize that the alkyl side chains in functional organic crystals may be exploited for tuning their self-assembly as well as their mechanical properties. Hence, the study has broad implications, for example, in crystal engineering of various flexible, ordered molecular materials.
}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.8b04800}, author = {Devarapalli, Ramesh and Kadambi, Sourabh Bhagwan and Chen, Chun-Teh and Krishna, Gamidi Rama and Kammari, Bal Raju and Buehler, Markus J. and Ramamurty, Upadrasta and Reddy, C. Malla} } @inbook {47480, title = {Removal of pharmaceutical and personal care products from wastewater using advanced materials}, booktitle = {Pharmaceuticals and Personal Care Products: Waste Management and Treatment Technology}, number = {Emerging Contaminants and Micro Pollutants}, year = {2019}, pages = {173-212}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {Recently, pharmaceuticals and personal care products (PPCPs) have attracted much attention because of their requirement in everyday life and huge production/consumption worldwide. India{\textquoteright}s pharmaceutical industry has emerged as the world{\textquoteright}s third largest in terms of volume of production. As a leading science-based industry, the pharmaceutical industry contributes to the tune of 1\% of India{\textquoteright}s total GDP. Ever increasing international demand of these products drives continued rapid expansion of the pharmaceutical industry. India becomes a preferred manufacturing location for PPCPs, which is obvious from the export of PPCPs to over 65 countries. This is primarily because of the manufacturing cost advantage. Nevertheless, the major concern of these PPCPs is their nonpassive nature. They are not benign travelers in the environment but rather they are bioaccumulative and their retention becomes toxic to wildlife and human beings. It is reported that residual PPCPs may cause endocrine disruptions that can change hormonal actions, although the adverse impact of PPCPs on human health and the environment is still not fully understood. Therefore, there is an urgent need to protect our limited water resources and the available aquatic species from deterioration due to residual PPCPs. A variety of technologies, including physical, biological, and chemical processes, have been extensively investigated for the removal of PPCPs from wastewater. Recently, advanced oxidation processes (AOPs) and advanced materials have shown great promise as an efficient alternative for mineralization of such refractory species. Therefore, a critical review of the recent advances in PPCP removal is imperative to gauge their performance. In this chapter, we briefly summarize the advances made in the technologies for PPCPs removal, followed by an in-depth review of the removal of PPCPs by advanced materials and AOPs.}, doi = {10.1016/B978-0-12-816189-0.00008-1}, author = {Morone, Amruta and Mulay, Prajakatta and Kamble, Sanjay P.} } @article {46178, title = {Re-purposing is needed for beneficial bugs, not for the drugs}, journal = {International Microbiology}, volume = {22}, year = {2019}, month = {MAR}, pages = {1-6}, type = {Review}, abstract = {
Between 150 and 200 species of plants, insects, birds or mammals go extinct every day. We do not have any idea what the global extinction rate for microorganisms is. What is clear is that we have already lost a maximum number of the microbes that used to live in and on our skins. Many of our microbial partners are facing extinction as we apply selection pressures that are unprecedented in our long-standing relationships. Recent estimates are that we have lost at least one third of the diversity of our skin microbiome. Every day, most of us bath or shower in water that contains chlorine or fluorine; these additives do a great job of killing pathogenic microbes, but they are probably not helping our skin microbiome. Most of the people apply cosmetic products every day, as these products contain preservatives that prevent microbial growth on the shelf. These same chemicals may well kill microbes on the skin. The daily use of high-pH soaps probably will not help microbial life that is adapted to living on the skin{\textquoteright}s natural pH of 5. The rise in the rate of C-section births from around 5\% in 1970 to more than 30\% today is likely to be a contributing factor. Vaginal microbes seed our skins at birth and C-sections disrupt this process. The overuse of broad-spectrum antibiotics has contributed to the loss of our microbial partners in all body sites and the skin is no exception. It is now clear that skin is an ecosystem that is dependent on commensal microbes for optimal health. In general, a diverse ecosystem is a healthy ecosystem that is robust in the face of change. Low-diversity ecosystems are more fragile and susceptible to dysbiosis. Eczema and acne rates have increased rapidly over the last 50 years. These diseases are almost unknown in hunter-gatherer communities. Now, we face two exciting challenges: finding out which species matter and how to get them back.
}, keywords = {Drugs, Dysbiosis, Microbiome, Probiotics}, issn = {1139-6709}, doi = {10.1007/s10123-018-00049-x}, author = {Ram, Hari and Dastager, Syed G.} } @article {46045, title = {Resolving the conformational dynamics of ErbB growth factor receptor dimers}, journal = {Journal of Structural Biology}, volume = {207}, year = {2019}, month = {AUG }, pages = {225-233}, type = {Article}, abstract = {
The combinatorial dimerization of the ErbB growth factor receptors (ErbB(1) - ErbB(4)) are critical for their function. Here, we have characterized the conformational dynamics of ErbB transmembrane homo-dimers and hetero-dimers by using a coarse-grain simulation framework. All dimers, except ErbB (4-4) and ErbB(1-4), exhibit at least two conformations. The reported NMR structures correspond to one of these conformations, representing the N-terminal active state in ErbB(1-1) (RH2), ErbB(2-2) (RH1) and ErbB(4-4) (RH) homo-dimers and the LH dimer in ErbB(3-3) homo-dimer, validating the computational approach. Further, we predict a right-handed ErbB(4) dimer conformer that warrants experimental testing. The five hetero-dimers that have not yet been experimentally resolved display prominent right-handed dimers associating by the SmXXXSm motif. Our results provide insights into the constitutive signaling of ErbB(4) after cleavage of the extracellular region. The presence of the inactive-like dimer conformers leading to symmetric kinase domains gives clues on the autoinhibition of the receptor dimers. The dimer states characterized here represent an important step towards understanding the combinatorial cross associations in the ErbB family.
}, keywords = {Martini coarse-grained simulations, Membrane protein structure, Transmembrane dimer}, issn = {1047-8477}, doi = {10.1016/j.jsb.2019.05.013}, author = {Pawar, Aiswarya B. and Sengupta, Durba} } @article {45604, title = {Retraction: a highly concise and practical route to clavaminols, sphinganine and (+)-spisulosine via indium mediated allylation of α-hydrazino aldehyde and a theoretical insight into the stereochemical aspects of the reaction}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {FEB}, pages = {3336-3336 }, type = {Article}, abstract = {A conceptually different approach has been employed for the synthesis of 1,2-amino alcohols by proline-catalyzed α-amination of aldehyde and one-pot indium mediated allylation of the crude α-hydrazino aldehydes. DFT based quantum chemical calculations have been performed to obtain a quantitative explanation of the stereoselectivity of the reaction.}, doi = {10.1039/C9RA90005E}, author = {Pandey, M. and Chowdhury, P. S. and Dutta, A. K. and Kumar, P. and Pal, S.} } @article {46186, title = {Retraction: organocatalytic stereoselective synthesis of passifloricin A (Retraction of Vol 10, Pg 1820, 2012)}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {FEB}, pages = {2289}, type = {Retraction}, issn = {1477-0520}, doi = {10.1039/c9ob90027f}, author = {Kumar, Pradeep and Pandey, Menaka and Gupta, Priti and Dhavale, Dilip D.} } @article {46103, title = {Reusable cobalt catalyst for reversible acceptorless dehydrogenation and hydrogenation of N-Heterocycles}, journal = {ChemCatChem}, volume = {11}, year = {2019}, month = {MAY}, pages = {2449-2457}, type = {Article}, abstract = {
The development of robust catalytic systems based on basemetals for reversible acceptorless dehydrogenation (ADH) and hydrogenation of feedstock chemicals is very important in the context of {\textquoteleft} hydrogen storage{\textquoteright}. Herein, we report a highly efficient reusable cobalt-based heterogeneous catalyst for reversible dehydrogenation and hydrogenation of N-heterocycles. Both the ADH and the hydrogenation processes operate under mild, benign conditions.
}, doi = {10.1002/cctc.201900367}, author = {Jaiswal, Garima and Subaramanian, Murugan and Sahoo, Manoj K. and Balaraman, Ekambaram} } @article {46039, title = {Ring opening polymerization of lactide: kinetics and modeling}, journal = {Chemical Engineering Communications}, volume = {206}, year = {2019}, month = {SEP }, pages = {1159-1167}, type = {Article}, abstract = {
The ring opening polymerization (ROP) kinetics of L-lactide was studied in bulk at 150, 160, and 180 degrees C using stannous octoate [Sn(Oct)(2)] catalyst and 1-pyrene butanol co-catalyst. The effect of different parameters namely, time and co-catalyst to catalyst ratio was studied on the properties of polylactide. The experimental results showed high conversion of L-lactide. The kinetics of L-lactide ROP follows the co-ordination insertion mechanism. The experimental results obtained were studied to account for the reversible activation, propagation, termination, and validated by modeling using MATLAB. The model developed successfully predicts the monomer conversion and the kinetics of L-lactide ROP.
}, keywords = {1-pyrene butanol, Average molecular weights, GPC, kinetics, L-Lactide, Modeling and simulation, Polymerization temperature, Proton NMR, ROP, Stannous octoate}, issn = {0098-6445}, doi = {10.1080/00986445.2018.1550395}, author = {Metkar, Sangeeta and Sathe, Vivek and Rahman, Imran and Idage, Bhaskar and Idage, Susheela} } @article {46176, title = {Robust micropropagation protocol for genetically true to type plants of Phule Arakta pomegranate}, journal = {Indian Journal of Horticulture}, volume = {76}, year = {2019}, month = {MAR}, pages = {23-31}, type = {Article}, abstract = {
A rapid and reproducible micropropagation protocol for pomegranate cv. Phule Arakta has been developed using nodal segments of field grown plant. Bud break was induced in basal Woody Plant Medium (WPM) as well as compared when WPM was supplemented with plant growth regulators. Multiple shoot proliferation was induced in the nodal segments on WPM fortified with different concentration of benzyladenine (BAP) where 2mg/I BAP developed maximum number of shoots. Elongation of shoots was further amplified with the addition of adjuvant silver nitrate. Browning of culture medium was controlled by the addition of polyvinylpyrrolidone (PVP) and regular sub-culturing enhanced shoot multiplication as well as elongation. Rooting was induced in the regenerated shoots using Indole-3-butyric acid (IBA) and 3-Indoleacetic acid where best result was obtained using shock treatment with NAA. Sub-culturing resulted in denser and better rooting. The rooted plantlets were further acclimatized and then established in soil. The clonal fidelity of the in vitro grown cultures was assessed using Random Amplified Polymorphic DNA (RAPD) and Inter Simple Sequence Repeats (ISSR) markers. The 10 RAPD decamers produced 55 bands and 4 ISSR produced 19 bands in total. RAPD primers OPC-08, OPC-13 and OPD-07 produced the highest number of distinct bands and ISSR primer UBC-834 produced maximum distinct bands. All the bands were monomorphic which confirms the genetic fidelity of the in-vitro raised P. granatum cv. Phule Arakta and supported the method of mass production of true to type progenies using tissue culture.
}, keywords = {genetic fidelity, ISSR, Punica granatum, RAPD}, issn = {0972-8538}, doi = {10.5958/0974-0112.2019.00004.5}, author = {Raman, Taramla and Gupta, Vidya S. and Shukla, Susmita} } @article {46141, title = {Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study}, journal = {Crystengcomm}, volume = {21}, year = {2019}, month = {APR }, pages = {2043-2048}, type = {Article}, abstract = {
The stronger sulfonamide-pyridine (SO2NH2 center dot center dot center dot N-Py) and sulfonamide-carboxamide (SO2NH2 center dot center dot center dot O = C-NH) hydrogen bonds direct the formation of cocrystals, while the weaker sulfonamide-amine (SO2NH2 center dot center dot center dot N-H) hydrogen bond results in coamorphous products. IDP-PIP and IDP-ARG coamorphous solids exhibit remarkable stability under accelerated conditions.
}, issn = {1466-8033}, doi = {10.1039/c8ce01075g}, author = {Allu, Suryanarayana and Suresh, Kuthuru and Bolla, Geetha and Mannava, M. K. Chaitanya and Nangia, Ashwini} } @article {45628, title = {Role of Li+ and Fe3+ in modified ZnO: Structural, vibrational, opto-electronic, mechanical and magnetic properties}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {JAN}, pages = {7232-7243}, type = {Article}, abstract = {When Fe is doped in ZnO, a situation of charge imbalance is created due to the higher charge of Fe3+. A charge balance may be obtained by co-doping Li+0.5Fe3+0.5 combinations. A solid solution of Zn1-x(Fe0.5Li0.5)xO (0 <= x <= 0.03125) is synthesized with this viewpoint. The crystallites belong to a wurtzite P63mc space group, with lattice parameters a, b and c increasing nominally for x = 0.0156 and thereafter remaining invariant. The size varies in the range ~ 60{\textendash}142 nm. Interstitials of Li and Zn ions are formed. Along with Fe3+ substitution these defects are reasons for O interstitials. These oxygen interstitials increase the red emission while reduction of oxygen vacancies reduces the green emission. These point defects create structural distortion and strain which can generate Zn vacancies. Bandgap reduces due to shallow defects. Mid-bandgap states due to oxygen interstitials and Fe 3d-O 2p hybridization result in NIR emission. On the other hand the crystal surface deforms due to Li addition which hardens the materials. A weak ferromagnetism appears at very low temperature which is enhanced by Li+ addition. Long range exchange mechanism between Fe3+ ions appears in the samples, mediated by magnetic polarons due to point defects.}, keywords = {hardness, NIR emission, Shallow and deep level defects, Weak ferromagnetism, ZnO}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.01.004}, author = {Bajpai, G. and Moirangthem, I. and Sarkar, S. and Barman, S. R. and Vinod, C. P. and Bajpai, S. and Riyajuddin, S. and Ghosh, K. and Basaula, D. R. and Khan, M. and Liu, S. -W. and Biring, S. and Sen, S.} } @article {46319, title = {Role of particle morphology in the yielding behavior of dense thermosensitive microgel suspensions}, journal = {Journal of Applied Polymer Science}, year = {2019}, month = {OCT}, pages = {48625}, type = {Article; Early Access}, abstract = {
The yielding behavior of dense thermosensitive microgel suspensions of poly(N-isopropylacrylamide) with two different particle morphologies viz core-shell (CS) morphology and particles with uniform crosslink density were studied. Structural properties were examined using dynamic light scattering and yielding behavior was investigated by nonlinear oscillatory rheology. Suspensions of particles with uniform crosslinking density showed a typical hard sphere like behavior with the loss modulus (G {\textquoteleft}{\textquoteright}) exhibiting a single peak due to cage breaking while CS type particles shows a double yielding at different ranges of strain similar to that seen in attractive colloidal glasses. The first yielding process in CS microgels is interpreted as due to the disentanglement of the overlapped polymer chains from the shells of the neighboring microgels and the second yielding process due to the breakage of cages formed by neighboring microgel particles. Current study suggests that the interpenetration of polymer chains at high concentrations sets in an attractive like potential leading to double yielding phenomena in an otherwise purely repulsive system. (c) 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 137, 48625.
}, issn = {0021-8995}, doi = {10.1002/app.48625}, author = {Jathavedan, Kiran Kaithakkal and Kanheerampockil, Fayis and Bhat, Suresh} } @article {46169, title = {Role of structural distortion in stabilizing electrosynthesized blue emitting phosphorene quantum dots}, journal = {Journal of Physical Chemistry Letters}, volume = {10}, year = {2019}, month = {MAR }, pages = {973-980}, type = {Article}, abstract = {
Luminescent phosphorene quantum dots (PQDs) have emerged as fascinating nanomaterials for potential applications in optoelectronics, catalysis, and sensing. Herein, we investigate the structural distortion of black phosphorus (BP) under an applied electric field to yield blue luminescent PQDs [average diameter 8 +/- 1.5 nm (N = 60)]. The electrosynthesized PQDs exhibit photoluminescence emission independent of excitation wavelength with 84\% quantum efficiency. Structural distortion that occurred during the transformation of BP to PQDs is confirmed by results obtained during transmission electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy. Further, using first-principles-based density functional theory, calculations on oxygenated and nonoxygenated PQDs augment the experimental observations that an optimum oxygen content maintains the structural integrity of PQDs, above which the structural robustness of PQDs is drastically diminished.
}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.8b03600}, author = {Valappil, Manila Ozhukil and Joshi, Krati and John, Lisa and Krishnamurthy, Sailaja and Jana, Bikash and Patra, Amitava and Pillai, Vijayamohanan K. and Alwarappan, Subbiah} } @article {46130, title = {Room temperature catalytic dehydrogenation of cyclic amines with the liberation of H-2 using water as a solvent}, journal = {Green Chemistry}, volume = {21}, year = {2019}, month = {APR }, pages = {2119-2128}, type = {Article}, abstract = {
Catalytic dehydrogenation of cyclic amines, in particular partially saturated N-heterocycles to N-heterocyclic arenes, with the removal of molecular hydrogen as the sole byproduct in water is reported. This dehydrogenation reaction proceeds smoothly under very mild and benign conditions and operates at room temperature. This distinctive reactivity has been achieved under dual catalytic conditions by merging the visible-light active [Ru(bpy)(3)](2+) as the photoredox catalyst and a newly synthesized cobalt complex as the proton-reduction catalyst. A detailed mechanistic study (control experiments, electrochemical studies, UV-visible experiments) is presented for the present dual catalysis.
}, issn = {1463-9262}, doi = {10.1039/c9gc00201d}, author = {Sahoo, Manoj K. and Balaraman, Ekambaram} } @article {46433, title = {Room-temperature asymmetric transfer hydrogenation of biomass-derived levulinic acid to optically pure gamma-valerolactone using a ruthenium catalyst}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {NOV }, pages = {19491-19498}, type = {Article}, abstract = {
This study presents a first report on ruthenium-catalyzed asymmetric transfer hydrogenation (ATH) of levulinic acid (LA) to chiral gamma-valerolactone (GVL). ATH of LA has been explored with Noyori{\textquoteright}s chiral catalyst (Ru-TsDPEN) in methanol solvent. Efficacy of ATH reaction of LA was investigated under different reactions conditions such as temperature, catalyst, and hydrogen donor concentration. The effect of various organic tertiary bases along with formic acid (FA) as a hydrogen donor was studied, and N-methylpiperidine with FA (1:1 molar ratio) was revealed as an efficient hydrogen donor for ATH of LA to GVL furnishing chiral GVL with complete conversion and 93\% enantiomeric excess (ee). This operationally simple and mild ATH protocol was tested for practical applicability of ATH of LA obtained from biomass waste (rice husk and wheat straw) and furnished chiral GVL with 82\% ee.
}, issn = {2470-1343}, doi = {10.1021/acsomega.9b03424}, author = {Shende, Vaishali S. and Raut, Amol B. and Raghav, Prathamesh and Kelkar, Ashutosh A. and Bhanage, Bhalchandra M.} } @article {46275, title = {Route to access imidazol[1,5-a]indole-1,3-diones and pyrrolo[1,2-c]imidazole-1,3-diones}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {SEP}, pages = {8384-8390}, type = {Article}, abstract = {
A novel and practical route to synthesize imidazol[1,5-a]indoles and pyrrolo[1,2-c]imidazoles via N-H functionalization has been developed. Indole-2-carboxylic acid or pyrrole-2-carboxylic acid with diverse aniline groups and carbonyldiimidazole (CDI), in the presence of a base under microwave conditions, resulted in imidazol[1,5-a]indoles and pyrrolo[1,2-c]imidazoles, respectively. The present method is free of work-up and no need for column chromatography. Both title scaffolds can serve as useful heterocyclic scaffolds in medicinal chemistry as such, or they can be used as building blocks to construct different classes of useful compounds.
}, doi = {10.1039/c9ob01462d}, author = {Rao, Ramana Sreenivasa and Shajan, Fere Joseph and Reddy, D. Srinivasa} } @article {46193, title = {Ru-catalyzed regioselective cascade annulation of acrylamides with 2-alkynoates for the synthesis of various 6-Oxo nicotinic acid esters}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {FEB }, pages = {1863-1870}, type = {Article}, abstract = {
Ru-catalyzed regioselective cascade annulation of acrylamides with 2-alkynoates via aza-Michael/C-H activation sequence for the synthesis of various 6-oxo nicotinic acid esters is described. The regioselectivity of the protocol has been confirmed by performing silver mediated protodecarboxylation of the corresponding 6-oxo nicotinic acid to furnish 2-pyridone. The developed protocol is copper or silver salt-free and uses inexpensive, safe, and environmentally benign peroxide-based {\textquoteleft}{\textquoteleft}oxone{\textquoteright}{\textquoteright} as the sole oxidant. A redox-neutral version of the protocol is also demonstrated.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02783}, author = {Garad, Dnyaneshwar N. and Mhaske, Santosh B.} } @article {46110, title = {Ru(II)-catalyzed C-H activation/alkylation of 3-formylbenzofurans with conjugated olefins: product divergence}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {MAY }, pages = {5056-5066}, type = {Article}, abstract = {
Ru-catalyzed alkylation of 3-formylbenzofuran with acrylates and acrylamides has been described. Branched selectivity with unsubstituted or beta-substituted acrylates/ acrylamides and linear selectivity with alpha-substituted acrylates have been observed. However, in all of the cases, the intermediate alkylation products seem to undergo further reactions, either cycloannulation or deformylation, depending on the substrate employed. For example, with methyl acrylate, the intermediate branched alkylation product underwent cycloannulation with another molecule of methyl acrylate, resulting in a densely functionalized cyclohexene ring formation. On the other hand, in the case of N-monosubstituted acrylamides, the branched alkylation proceeded with intramolecular aldehyde-amide condensation, leading to pyridin-2-one ring annulation. However, with both methacrylate and crotonate, deformylation of the initially formed alkylation products was observed.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b03267}, author = {Srinivas, Kolluru and Siddiqui, Shaziyaparveen K. and Mudaliar, Jyothi K. and Ramana, Chepuri V.} } @article {45591, title = {Rylene diimide-based alternate and random copolymers for flexible supercapacitor electrode materials with exceptional stability and high power density}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {JAN}, pages = {2084{\textendash}2093}, type = {Article}, abstract = {Donor{\textendash}acceptor pi-conjugated polymers are emerging as interesting electrode materials for supercapacitor device applications. They offer an exciting possibility of charge storage in both positive and negative electrodes because they are both p- and n-dopable. The ambipolar charging enables higher operating voltage, which can afford higher specific energy and power densities. The donor{\textendash}acceptor design can be either donor-alternate-acceptor or donor-random-acceptor. This architectural variation has the potential to modify the charge storage; yet surprisingly not much literature data is available exploiting this aspect. This paper explores the alternate and random geometries of donor{\textendash}acceptor π-conjugated polymers based on naphthalene diimide or perylene diimide (PDI) as the acceptor component and benzodithiophene (BDT) as the donor component and their application as composite electrode materials in a type III supercapacitor device. Results show that the donor{\textendash}acceptor alternate design involving P(PDI-alt-BDT) is an excellent supercapacitor electrode material with specific capacitance of 113 F g{\textendash}1 with excellent stability up to 4000 cycles and almost 100\% retention of the initial capacitance in a single-electrode setup in a PC-LiClO4 organic electrolyte. A flexible supercapacitor device was also fabricated which shows areal capacitance of 35 mF cm{\textendash}2 at a current density of 0.5 mA cm{\textendash}2, which is promising for commercial applications.}, doi = {10.1021/acs.jpcc.8b11229}, author = {Sharma, S. and Soni, R. and Kurungot, S. and Asha, S. K.} } @article {46425, title = {Saturated N-heterocyclic carbene based thiele{\textquoteright}s hydrocarbon with a tetrafluorophenylene linker}, journal = {Chemistry-A European Journal}, year = {2019}, month = {NOV}, type = {Article; Early Access}, abstract = {
The synthesis of a SIPr [1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] derived Kekule diradicaloid with a tetrafluorophenylene spacer (3) has been described. Two synthetic routes have been reported to access 3. The cleavage of C-F bond of C6F6 by SIPr in the presence of BF3 led to double C-F activated compound with two tetrafluoro borate counter anions (2), which upon reduction by lithium metal afforded 3. Alternatively, 3 can be directly accessed in one step by reacting SIPr with C6F6 in presence of Mg metal. Compounds 2 and 3 were well characterized spectroscopically and by single-crystal X-ray diffraction studies. Experimental and computational studies support the cumulenic closed-shell singlet state of 3 with a singlet-triplet energy gap (Delta ES-T) of 23.7 kcal mol(-1).
}, keywords = {C-F activation, Density functional calculations, fluorine, Kekule diradicaloids, saturated NHC}, issn = {0947-6539}, doi = {10.1002/chem.201904421}, author = {Kundu, Gargi and De, Sriman and Tothadi, Srinu and Das, Abhishek and Koley, Debasis and Sen, Sakya S.} } @article {45529, title = {Scalable microwave-assisted continuous flow synthesis of CuO nanoparticles and their thermal conductivity applications as nanofluids}, journal = {Advanced Powder Technology}, volume = {30}, year = {2019}, month = {JAN}, pages = {13-17}, type = {Article}, abstract = {
We have demonstrated the novel and scalable synthesis of CuO nanoparticles by an integration of microwave and flow synthesis. The shape and size of CuO nanoparticles were tuned by changing the concentration of copper precursor. The production rate of CuO nanoparticles was found to be 5 g/h with 70\% conversion of copper acetate into the CuO nanoparticles. The thermal conductivity of CuO nanofluid prepared in ethylene glycol showed linear enhancement with increase in the volume content of CuO nanoparticles produced in batch and flow reactors. (C) 2018 The Society of Powder Technology Japan. Published by Elsevier B.V. and The Society of Powder Technology Japan. All rights reserved.
}, keywords = {Flow synthesis, Microwave, Nanofluids, Nanoparticles, scale-up, Thermal conductivity}, issn = {0921-8831}, doi = {10.1016/j.apt.2018.10.001}, author = {Nikam, Arun V. and Dadwal, Arun H.} } @article {45550, title = {Scalable synthesis of both enantiomers of vigabatrin, an antiepileptic drug}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {FEB}, pages = {1257{\textendash}1260}, type = {Article}, abstract = {
Vigabatrin is a potent inhibitor of gamma-aminobutyric acid (GABA) catabolism used for the treatment of epilepsy. Here we have synthesized both enantiomers of the drug vigabatrin in five steps from known intermediates using Wittig olefination and pyrolytic elimination as key steps. The target compounds are synthesized in gram scale amounts with \>98 \% enantiopurity.
}, doi = {10.1002/ejoc.201801617}, author = {Jachak, G.R. and Reddy, D.S.} } @article {46163, title = {Scalable synthesis of cladosporin}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {MAR }, pages = {831-833}, type = {Article}, abstract = {
Cladosporin, a secondary metabolite isolated from fungal sources like Cladosporium cladosporioides and Aspergillus flavus was found to exhibit selective nano-molar activity against malarial parasite Plasmodium falciparum by inhibiting parasitic protein biosynthesis. In addition, this natural product has a broad range of bioactivities including, antiparasitic, antifungal, antibacterial as well as plant growth inhibition. However, it has limited availability from the natural sources for further development. Herein, we report a modified and improved synthetic route which led us to produce this potent natural product in a gram scale. Conversion of the undesired diastereomer to desired one via Mitsunobu inversion of secondary alcohol and carbon monoxide insertion reaction towards the construction of isocoumarin unit are the key features of the present synthesis. (C) 2019 Elsevier Ltd. All rights reserved.
}, keywords = {Anti-malarials, Cladosporin, Mitsunobu, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.02.012}, author = {Das, Pronay and Mankad, Yash and Reddy, D. Srinivasa} } @article {46079, title = {Scope and mechanistic aspect of nickel-catalyzed alkenylation of benzothiazoles and related azoles with styryl bromides}, journal = {Organometallics}, volume = {38}, year = {2019}, month = {JUN }, pages = {2422-2430}, type = {Article}, abstract = {
Alkenylation of benzothiazoles and related azoles with alkenyl bromides is achieved employing the well-defined and air-stable nickel complexes, (bpy)NiBr2 and [Ni(bpy)(3)] [NiBr4], as catalysts. Numerous electronically distinct alkenyl bromides efficiently coupled with substituted benzothiazoles, oxazoles, and benzimidazoles under the catalytic conditions to afford 2-alkenylated azoles. An extensive mechanistic study of the alkenylation of benzothiazole using (bpy)NiBr2 highlights a single-electron transfer process for the reaction involving the two-step one-electron oxidative addition of alkenyl bromide. The substrate benzothiazole plays a significant and diverse role in the reaction, and C-H bond cleavage is reversible in nature. Detailed kinetic analysis and control reactivity studies are indicative of a Ni(I)/Ni(III) pathway for the alkenylation comprising the rate-influencing reductive elimination step.
}, issn = {0276-7333}, doi = {10.1021/acs.organomet.9b00060}, author = {Patel, Ulhas N. and Jagtap, Rahul A. and Punji, Benudhar} } @article {46174, title = {Secondary structure of the internal transcribed rDNA (ITS) regions of cosmopolites sordidus (Germar) and odoiporus longicollis (Olivier): a first report in family Curculionidae}, journal = {International Journal of Tropical Insect Science}, volume = {39}, year = {2019}, month = {MAR}, pages = {53-61}, type = {Article}, abstract = {
In the present work the consensus secondary structure of the internal transcribed rDNA spacers ITS1 and ITS2 of two weevils i.e. Cosmopolites sordidus (Germar) and Odoiporus longicollis (Olivier) has been described. The secondary structures of the ITS1 region of C.sordidus and O.longicollis have ten and five helices respectively, emerging from a central core. Two and five helices emerge from a central core in the ITS2 secondary structures of C.sordidus and O.longicollis respectively, and do not conform to the {\textquoteleft}paneukaryotic{\textquoteright} four domain model. The ITS2 sequences of these two weevils share three regions with maximum sequence identity. Of these, two are present at the 5{\textquoteright} and 3{\textquoteright} end and share structural similarity, suggesting their possible role in the processing of the rRNA. This is the first report of the secondary structure of the ITS region in family Curculionidae which can serve as a valuable resource for homology modelling and phylogenetic studies.
}, keywords = {Cosmopolites sordidus (Germar), Curculionidae, ITS1, ITS2, Odoiporus longicollis (Olivier), Secondary structure}, issn = {1742-7584}, doi = {10.1007/s42690-019-00016-7}, author = {Kumar, Lalitha Sunil} } @article {46416, title = {Selective hydrogenation of 5-HMF to 2,5-DMF over a magnetically recoverable non-noble metal catalyst}, journal = {Green Chemistry}, volume = {21}, year = {2019}, month = {DEC}, pages = {6390-6406}, type = {Article}, abstract = {
A non-noble bimetallic catalyst Cu-Fe (1 : 2) was magnetically recoverable, highly selective and efficient for 5-(hydroxymethyl) furfural (5-HMF) hydrogenation to 2,5-dimethyl furan (DMF). The structure-activity correlation was established by characterising the prepared catalyst by XRD, XPS, TEM, ESEM, BET surface area, N-2-adsorption, NH3-TPD, pyridine-IR and H-2-TPR measurements. The high catalytic efficiency was attributed to the oxophilic nature and Lewis acidity of Fe, whereas the selectivity towards DMF was attributed to the Bronsted acidity of CuO and its affinity towards the C-O bond which was further confirmed by NH3-TPD and Py-IR analyses. XPS and XRD revealed the presence of Cu/CuFe2O4 species which catalyzed the hydrogenolysis pathway. TEM and SEM images evidenced the presence of a Cu-Fe nanomorph in which Cu/CuFe2O4 was present. The size of the Cu-Fe nanomorph was found to be between 15.4-17.6 nm. Under the optimised reaction conditions, the highest conversion of 97\% and selectivity of 93\% were achieved.
}, issn = {1463-9262}, doi = {10.1039/c9gc03091c}, author = {Solanki, Bhanupratap Singh and Rode, V. Chandrashekhar} } @article {45607, title = {Selective hydrogenolysis of 5-(hydroxymethyl)furfural over Pd/C catalyst to 2,5-dimethylfuran}, journal = {Journal of Saudi Chemical Society}, volume = {23}, year = {2019}, month = {MAY}, pages = {439-451}, type = {Article}, abstract = {
everal metal supported catalysts were prepared and evaluated for 5-(hydroxymethyl)furfural (5-HMF) hydrogenolysis to 2,5-dimethylfuran (2,5-DMF) which is a renewable potential fuel additive. Among the prepared catalysts, 3\%Pd/C showed excellent performance in terms of complete conversion of 5-HMF along with the highest selectivity of 99\% to 2,5-DMF. Detailed physico-chemical characterisation was done in order to understand structure-activity correlation. Uniformly dispersed Pd nanoparticles on activated carbon provided the adsorption surface to enhance the hydrogenation of 5-HMF. Reaction was well optimised and established by extensive study of different reaction parameters like temperature, pressure, reaction time, stirring effect, substrate loading and metal loading.
}, keywords = {Biomass, Fuel additive, heterogeneous catalysis, Hydrogenolysis, Palladium}, issn = {1319-6103}, doi = {10.1016/j.jscs.2018.08.009}, author = {Solanki, B. S. and Rode, C. V.} } @article {46207, title = {Selective synthesis of dimethyl carbonate via transesterification of propylene carbonate with methanol catalyzed by bifunctional Li-Al Nano-composite}, journal = {Chemistryselect}, volume = {4}, year = {2019}, month = {AUG}, pages = {8574-8583}, type = {Article}, abstract = {
A series of binary mixed metal oxides (MMOs) were synthesized by combination of Mn+/Al3+ (Mn+= Li, Mg, Co, Ni, Zn) via co-precipitation method and screened for transesterification of propylene carbonate (PC) with methanol. The aim of this study was to understand the role of acid-base properties of MMOs on the activity and selectivity towards dimethyl carbonate (DMC) synthesis. The MMOs were characterized in detail by XRD, BET, TEM, NH3 and CO2-TPD techniques. Catalysts synthesized by various combination of Mn+/Al3+ showed different textural and surface properties and the strength of acid-base sites were also found to be significantly altered. These changes in physicochemical properties significantly affected the PC conversion and selectivity to DMC. Li+ incorporated in Al3+ showed the formation of octahedral alpha-LiAlO2 phase having more amounts of active sites (O2-) present on the edges and corner of the structure. This resulted in easy accessibility of active sites and higher activity compared to other catalysts screened. Furthermore the catalyst retained high activity and selectivity for six consecutive recycle experiments; which is highly desirable for large-scale application.
}, doi = { 10.1002/slct.201901621}, author = {Nivangune, Nayana and Kelkar, Ashutosh} } @article {46283, title = {Selective synthesis of secondary amines from nitriles by a user-friendly cobalt catalyst}, journal = {Advanced Synthesis \& Catalysis}, volume = {361}, year = {2019}, month = {SEP}, pages = {3930-3936}, type = {Article}, abstract = {
Selective hydrogenation/reductive amination of nitriles to secondary amines catalyzed by an inexpensive and user-friendly cobalt complex, (Xantphos)CoCl2, is reported. The use of (Xantphos)CoCl2 and ammonia borane (NH3-BH3) combination affords the selective reduction of nitriles to symmetrical secondary amines, whereas the employment of (Xantphos)CoCl2 and dimethylamine borane (Me2NH-BH3) along with external amines produce unsymmetrical secondary amines and tertiary amines. The general applicability of this methodology is demonstrated by the synthesis of 43 symmetrical and unsymmetrical secondary and tertiary amines bearing diverse functionalities.
\
}, doi = {10.1002/adsc.201900586}, author = {Sharma, Dipesh M. and Punji, Benudhar} } @article {46184, title = {Selective targeting of integrin alpha v beta 8 by a highly active cyclic peptide}, journal = {Journal of Medicinal Chemistry}, volume = {62}, year = {2019}, month = {FEB }, pages = {2024-2037}, type = {Article}, abstract = {
Integrins play important roles in physiological and pathophysiological processes. Among the RGD-recognizing integrin subtypes, the alpha v beta 8 receptor is emerging as an attractive target because of its involvement in various illnesses, such as autoimmune diseases, viral infections, and cancer. However, its functions have, so far, not been investigated in living subjects mainly because of the lack of a selective alpha v beta 8 ligand. Here, we report the design and potential medical applications of a cyclic octapeptide as the first highly selective small-molecule ligand for alpha v beta 8. Remarkably, this compound displays low nanomolar alpha v beta 8 binding affinity and a strong discriminating power of at least 2 orders of magnitude versus other RGD-recognizing integrins. Peptide functionalization with fluorescent or radioactive labels enables the selective imaging of alpha v beta 8-positive cells and tissues. This new probe will pave the way for detailed characterization of the distinct (patho)physiological role of this relatively unexplored integrin, providing a basis to fully exploit the potential of alpha v beta 8 as a target for molecular diagnostics and personalized therapy regimens.
}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.8b01588}, author = {Reichart, Florian and Maltsev, Oleg V. and Kapp, Tobias G. and Raeder, Andreas F. B. and Weinmueller, Michael and Marelli, Udaya Kiran and Notni, Johannes and Wurzer, Alexander and Beck, Roswitha and Wester, Hans Juergen and Steiger, Katja and Di Maro, Salvatore and Di Leva, Francesco Saverio and Marinelli, Luciana and Nieberler, Markus and Reuning, Ute and Schwaiger, Markus and Kessler, Horst} } @article {46077, title = {Self-assemblies of nucleolipid supramolecular synthons show unique self-sorting and cooperative assembling process}, journal = {Nanoscale}, volume = {11}, year = {2019}, month = {JUN }, pages = {11956-11966}, type = {Article}, abstract = {
The inherent control of the self-sorting and co-assembling process that has evolved in multi-component biological systems is not easy to emulate in vitro using synthetic supramolecular synthons. Here, using the basic component of nucleic acids and lipids, we describe a simple platform to build hierarchical assemblies of two component systems, which show an interesting self-sorting and co-assembling behavior. The assembling systems are made of a combination of amphiphilic purine and pyrimidine ribonucleoside-fatty acid conjugates (nucleolipids), which were prepared by coupling fatty acid acyl chains of different lengths at the 2 {\textquoteleft}-O- and 3 {\textquoteleft}-O-positions of the ribose sugar. Individually, the purine and pyrimidine nucleolipids adopt a distinct morphology, which either supports or does not support the gelation process. Interestingly, due to the subtle difference in the order of formation and stability of individual assemblies, different mixtures of supramolecular synthons and complementary ribonucleosides exhibit a cooperative and disruptive self-sorting and co-assembling behavior. A systematic morphological analysis combined with single crystal X-ray crystallography, powder X-ray diffraction (PXRD), NMR, CD, rheological and 3D X-ray microtomography studies provided insights into the mechanism of the self-sorting and co-assembling process. Taken together, this approach has enabled the construction of assemblies with unique higher ordered architectures and gels with remarkably enhanced mechanical strength that cannot be derived from the respective single component systems.
}, issn = {2040-3364}, doi = {10.1039/c9nr01863h}, author = {Nuthanakanti, Ashok and Walunj, Manisha B. and Torris, Arun and Badiger, Manohar V. and Srivatsan, Seergazhi G.} } @article {47155, title = {Self-assembly of Di-guanine peptide nucleic acid amphiphiles into fractal patterns}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {DEC }, pages = {13525-13532}, type = {Article}, abstract = {
Peptide nucleic acids (PNAs) amphiphiles have been reported to assemble into different nanostructures; however, there is immense untapped potential to control their supramolecular assemblies by altering their lipid chain. Here, we functionalized di-guanine PNA with various hydrophobic appendages, namely dodecyl, p-dodecylbenzoyl and pentadecyl phenol groups, to investigate the effect of aromatic linkers, long alkyl and alkoxyl substituents on hierarchical self-assembly of di-guanine PNA. Systematic electron microscopy and atomic force microscopy studies revealed that while all three derivatives of di-guanine-PNA formed nanospheres, only nanospheres of dodecylamide and pentadecyl phenol derivatives matured into nanorods, these later formed higher order fractal assemblies. Furthermore, we observed that inclusion of a positively charged lysine at the C-terminus prevented fractal assembly, possibly due to electrostatic repulsion between the head groups. Thus, the findings of the present work might guide rational design of PNA amphiphiles to obtain specific self-assembled morphology.
}, keywords = {Fractal pattern, Guanine, pentadecylphenol, Peptide nucleic acid, Self-assembly}, issn = {2365-6549}, doi = {10.1002/slct.201902677}, author = {Abraham, Jancy N. and Pawar, Prabhakar and Kootteri, Dilna K.} } @article {46442, title = {Semirational design and engineering of grapevine glucosyltransferases for enhanced activity and modified product selectivity}, journal = {Glycobiology}, volume = {29}, year = {2019}, month = {NOV}, pages = {765-775}, type = {Article}, abstract = {
Uridine diphosphate-dependent glycosyltransferases (UGTs) catalyze the transfer of a diversity of sugars to several acceptor molecules and often exhibit distinct substrate specificity. Modulation of glycosyltransferases for increased catalytic activity and altered substrate or product specificity are the key manipulations for the biotechnological use of glycosyltransferases in various biosynthetic processes. Here, we have engineered the binding pocket of three previously characterized Vitis vinifera glycosyltransferases, UGT88F12, UGT72B27 and UGT92G6, by structure-guided in silico mutagenesis to facilitate the interactions of active site residues with flavonol glucosides and thus modify substrate specificity and activity. Site-directed mutagenesis at selected sites, followed with liquid chromatography-mass spectrometry based activity assays, exhibited that mutant UGTs were altered in product selectivity and activity as compared to the wild-type enzymes. Mutant UGTs produced larger amounts of flavonol di-monosaccharide glucosides, which imply that the mutations led to structural changes that increased the volume of the binding pocket to accommodate a larger substrate and to release larger products at ease. Mutants showed increased activity and modified product specificity. Thus, structure-based systematic mutations of the amino acid residues in the binding pocket can be explored for the generation of engineered UGTs for diverse biotechnological applications.
}, keywords = {flavonol, Glycosyltransferase, in silico analysis, Mutagenesis, selectivity}, issn = {0959-6658}, doi = {10.1093/glycob/cwz056}, author = {Joshi, Rakesh and Trinkl, Johanna and Haugeneder, Annika and Haertl, Katja and Franz-Oberdorf, Katrin and Giri, Ashok and Hoffmann, Thomas and Schwab, Wilfried} } @article {45511, title = {On the sensitivity of alginate rheology to composition}, journal = {Soft Matter}, volume = {15}, year = {2019}, month = {JAN }, pages = {159-165}, type = {Article}, abstract = {
The linear response of alginate-phenyl boronic acid (Alg-PBA) esters shows a universal, composition-independent viscoelastic fluid-like behaviour. Reversible association of alginates governs their rheology at all compositions (viz. at all alginate concentrations and solution pH). However, their high strain behaviour is very sensitive to composition. Tuning composition affords liquids that neck to form filaments capable of being drawn to large elongations without failure. We interpret our data by invoking strain-dependent association and dissociation rates for the alginates. High association rates at high strain result in materials with viscoelastic liquid like behaviour.
}, issn = {1744-683X}, doi = {10.1039/c8sm02093k}, author = {Suresh, Karthika and Haering, Marleen and Kumaraswamy, Guruswamy and Diaz Diaz, David} } @article {46422, title = {Separation of nitroaromatics from wastewater by using supported ionic liquid membranes}, journal = {Journal of Water Process Engineering}, volume = {32}, year = {2019}, month = {DEC}, pages = {100925}, type = {Article}, abstract = {
Nitroaromatics have been released into wastewater during its production and application, thus, contaminating the ecosystem. The stringent discharge limits of industrial effluents have led to the development of sustainable technologies for removal of nitroaromatics from wastewater. In the present investigation, separation of nitroaromatic compounds such as TNT, TNP and Tetryl from model wastewater was investigated by using supported ionic liquid membrane (SILM) process. Various aliquat 336 based ionic liquids (ILs) were synthesised and characterized, and immobilized in PTFE and PVDF supports for the preparation of SILMs. The key parameters such as type of IL and striping phase, feed phase pH, selectivity for SILM, extraction kinetics and reuse of SILM were studied, in detail. The size of IL-anion plays an important role in removal process. The SILM was found to be selective for TNP over other nitroaromatics. Maximum separation of TNP (\< 95\%) was achieved with IL, [A336][SCN] within 12 h. Selectivity and reuse of the membrane indicate the potential of SILM technology as a sustainable chemical process for the treatment of nitroaromatics contaminated wastewater.
}, keywords = {Ionic liquid, Membrane, Nitroaromatics, Separation, wastewater}, issn = {2214-7144}, doi = {10.1016/j.jwpe.2019.100925}, author = {Bhosale, Vikas K. and Chana, Harpreet K. and Kamble, Sanjay P. and Kulkarni, Prashant S.} } @article {46094, title = {Separator membranes for lithium-sulfur batteries: design principles, structure, and performance}, journal = {Energy Technology}, volume = {7}, year = {2019}, month = {JUN}, pages = {1800819}, type = {Article}, abstract = {
Improvement in electrical energy storage systems is one of the most recent research topics of great academic and industrial interest. Lithium-sulfur (Li-S) battery systems offer a theoretical energy density an order of magnitude larger than the popular Li-ion batteries. The principle of working, inherent challenges in utilizing this system for commercial applications, and the various approaches taken to address these challenges are herein discussed in detail. The polysulfide shuttle effect is a major concern that deteriorates electrochemical performance in this system. In the recent past, electrodes have been intricately engineered to tackle this problem. However, more recently, the focus has shifted to the critical role of the separator. Modifying conventional separators or fabricating novel structures to enhance the cell performance appears to be a more feasible option. Some design principles that are critical to the functioning of a separator in Li-S batteries, namely physisorption, chemisorption, and electrostatic repulsion, are discussed. Many recent papers proposed novel cell configurations with specifically designed functional separators. These reports are classified according to three design principles, analyzed critically, and compared with a view to assess their relative merits and efficacy. Some thoughts on the future directions in the development of an efficient separator are described.
}, keywords = {lithium-sulfur batteries, polysulfides, rechargeable batteries, separators, shuttle effect}, issn = {2194-4288}, doi = {10.1002/ente.201800819}, author = {Gupta, Aritrajit and Sivaram, Swaminathan} } @article {46432, title = {Silk fibroin-sodium dodecyl sulfate gelation: molecular, structural, and rheological insights}, journal = {Langmuir}, volume = {35}, year = {2019}, month = {NOV}, pages = {14870-14878}, type = {Article}, abstract = {
A gelling agent is necessary to accelerate sol to gel transition in an aqueous solution of silk fibroin (SF), which otherwise takes several days to complete. In this paper, we investigate the mechanism of gelation of Bornbyx mori SF by a model anionic surfactant, sodium dodecyl sulfate (SOS). Even though interactions between SDS and proteins have been extensively investigated, most of these studies have focused on globular proteins, which undergo denaturation. The interaction with a fibrous protein such as SF is different and results in an altered secondary structure leading to gelation. In this work, the concentration-dependent gelation process of the SF-SDS system is examined using rheology, SANS, FTIR, and NMR. We observed preferential binding of SDS to specific regions on the SF chain, which aids structural changes favoring beta-sheet formation. We propose a mechanism for the accelerated sol-gel transition in the SF-SDS system.
}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.9b02402}, author = {Hirlekar, Swarali and Ray, Debes and Aswal, Vinod K. and Prabhune, Asmita and Nisal, Anuya and Ravindranathan, Sapna} } @article {46159, title = {Silylene induced cooperative B-H bond activation and unprecedented aldehyde C-H bond splitting with amidinate ring expansion}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {MAR }, pages = {3536-3539}, type = {Article}, abstract = {
The addition of HBpin to PhC(NtBu)(2)SiN(SiMe3)(2) (1) results in the cleavage of the B-H bond in a cooperative fashion across the Si and amidinate-C sites. The reaction of 1 with benzaldehyde led to C-H bond activation with amidinate ring expansion leading to a five-membered heterocycle. In case of 4-fluorobenzaldehyde, a C-C bond coupling takes place leading to a dioxasilolane derivative as the major product.
}, issn = {1359-7345}, doi = {10.1039/c9cc00296k}, author = {Swamy, V. S. V. S. N. and Raj, K. Vipin and Vanka, Kumar and Sen, Sakya S. and Roesky, Herbert W.} } @article {46089, title = {Size-controlled cobalt ferrite nanocrystals: magnetically separable reusable nanocatalysts for selective oxidation of styrene}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {JUN }, pages = {6524-6531}, type = {Article}, abstract = {
Superparamagnetic cobalt ferrite (CFO) nanocrystals (NCs) with sizes similar to 6 nm and similar to 4 nm were synthesized using a facile solvothermal method using fatty acids, lauric acid and stearic acid, as the capping agents. The synthesized nanocrystals were well characterized by XRD, FT-IR, XPS, SEM and TEM. The formation mechanism was explored and it was shown that the fatty acid was actually chemisorbed as a carboxylate onto the surface of CFO NCs. The experimental results specify that the size and size distribution of the CFO NCs were highly dependent on the length of fatty acid hydrophobic chain. Corresponding changes of the magnetic properties were investigated by measuring magnetization as a function of field and temperature, which suggest that the CFO NCs were superparamagnetic in nature. The catalytic properties for the oxidation of styrene in organic medium were examined by using the synthesized CFO NCs with sizes similar to 6 nm and similar to 4 nm. The synthesized CFO NCs, well dispersible in organic media, were demonstrated to be highly catalytically active, reached 100\% conversion of styrene in 12 h with similar to 77\% and similar to 82\% selectivity for styrene oxide respectively. The magnetic CFO nanocatalysts were easily separated and recovered from the reaction medium by an external magnet, and reused for several cycles without losing catalytic selectivity for styrene oxide.
}, keywords = {Cobalt ferrite, epoxidation, Fatty acids, magnetic properties, nanocrystals}, issn = {2365-6549}, doi = {10.1002/slct.201900714}, author = {Jeyavani, Vijayakrishnan and Pawar, Sayali and Dadwal, Arun and Joy, Pattayil Alias and Mukherjee, Shatabdi Porel} } @article {46196, title = {Slow motion protein dance visualized using red-edge excitation shift of a buried fluorophore}, journal = {Journal of Physical Chemistry B}, volume = {123}, year = {2019}, month = {FEB}, pages = {1256-1264}, type = {Article}, abstract = {
It has been extremely challenging to detect protein structures with a dynamic core, such as dry molten globules, that remain in equilibrium with the tightly packed native (N) state and that are important for a myriad of entropy-driven protein functions. Here, we detect the higher entropy conformations of a human serum protein, using red-edge excitation shift experiments. We covalently introduced a fluorophore inside the protein core and observed that in a subset of native population, the side chains of the polar and buried residues have different spatial arrangements than the mean population and that they solvate the fluorophore on a timescale much slower than the nanosecond timescale of fluorescence. Our results provide direct evidence for the dense fluidity of protein core and show that alternate side-chain packing arrangements exist in the core that might be important for multiple binding functions of this protein.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.8b11151}, author = {Mishra, Prajna and Jha, Santosh Kumar} } @article {46097, title = {Solvothermal growth of PbBi2Se4 nano-flowers: a material for humidity sensor and photodetector applications}, journal = {Physica Status Solidi A-Applications and Materials Science}, volume = {216}, year = {2019}, month = {JUN}, pages = {1900065}, type = {Article}, abstract = {
In the present work, lead bismuth selenide (PbBi2Se4) nano-flowers are synthesized by using a simple solvothermal method. Humidity sensor and photodetector based on PbBi2Se4 nano-flowers are fabricated on indium tin oxide (ITO) substrates and their sensing properties are investigated. Formation of PbBi2Se4 is confirmed by XRD, EDS, and XPS whereas formation of nano-flowers is confirmed by SEM and TEM analysis. XRD analysis reveals the hexagonal crystal structure of PbBi2Se4 phase with a = b = 4.22 angstrom, and c= 17.42 angstrom. The surface morphology of PbBi2Se4 clearly shows the formation of well-organized flower-like nanostructures which closely resembles the shape of Dahlia. The elemental mapping of chemical constituents obtained from SEM-EDS analysis shows uniform distribution of chemical constituents for the Pb, Bi, and Se in PbBi2Se4 nano-flowers. The PbBi2Se4 nano-flowers based humidity sensor has a typical response time of approximate to 65s and recovery time of approximate to 75 s. In case of PbBi2Se4 nano-flowers-based photodetector, the response and recovery time are observed approximate to 121 and approximate to 123 s, respectively, under visible light illumination with photoresponsivity (5 x 10(-6)), photosensitivity (2.16\%), and quantum efficiency (1.5 x 10(4)). The obtained results demonstrate the potential applications of solvothermally grown PbBi2Se4 nano-flowers-based devices for humidity sensors and photodetectors. The ease of the present work is to develop novel material to obtain device quality humidity sensors and photodetectors.
}, keywords = {humidity sensor, PbBi2Se4, photodetector, XPS, XRD}, issn = {1862-6300}, doi = {10.1002/pssa.201900065}, author = {Aher, Rahul and Bhorde, Ajinkya and Nair, Shruthi and Borate, Haribhau and Pandharkar, Subhash and Naik, Dhirsing and Vairale, Priti and Karpe, Smita and Late, Dattatray and Prasad, Mohit and Jadkar, Sandesh} } @article {46339, title = {Special issue: membrane and receptor dynamics}, journal = {Journal of Membrane Biology}, volume = {252}, year = {2019}, month = {OCT}, pages = {207-211}, type = {Editorial Material}, issn = {0022-2631}, doi = {10.1007/s00232-019-00096-z, Early Access Date = OCT 2019}, author = {Prakash, Shikha and Sengupta, Durba} } @article {45614, title = {Squaraine-linked metalloporphyrin two-dimensional polymer photocatalyst for hydrogen and oxygen evolution reactions}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JAN}, pages = {1627-1630}, type = {Article}, abstract = {Efficient water splitting photocatalysts are an energetically demanding and cost-effective method for generating renewable energy. Significant research has been reported to advance this approach. However, the use of organic photocatalysts and the presence of residual catalysts trapped in the porous frameworks present major concerns about the efficiency of this strategy. Herein, we report the photocatalytic evolution of H2 and O2 by a multi-hydroxyl group-decorated metalloporphyrin-based two-dimensional catalyst developed via metal catalyst-free synthetic route. Though metalloporphyrins have long been used for catalytic functions, a heterogeneous photocatalyst delivering both H2 and O2 has not yet been realized. This polymer catalyst design enables the photocatalytic diatomic O2 release, a bottleneck in water splitting, in a facile way. Photocatalytic release of H2 as well as O2 occurs with long-term durability of 20 cycles in 300 days with negligible decrease in efficiency, thus demonstrating the excellent performance of this new catalyst.}, doi = {10.1039/C8CC09132C}, author = {Ranjeesh, K. C. and George, L. and Wakchaure, V. C. and Goudappagouda and Devi, R. N. and Babu, S. S.} } @article {46086, title = {Stabilization of bis(chlorogermyliumylidene)s within bifunctional PNNP ligand frameworks and their reactivity studies}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {JUN }, pages = {7344-7351}, type = {Article}, abstract = {
The diiminodiphosphine (L-im) and diaminodiphosphines (l-NH and l-NMe) with a bifunctional PNNP ligand framework have been employed to host two [GeCl](+) units leading to the formation of bis(chlorogermyliumylidene) 1-3, respectively. The synthetic route involves a 1:2 stoichiometric reaction between the PNNP ligand and GeCl(2)dioxane and the subsequent addition of two equivalents of chloride abstracting agent. Compound 1 is unstable towards coordinating solvents and Lewis bases, resulting in the displacement of the GeCl unit and the formation of rearranged products 4 and 5. However, the diaminodiphosphine coordinated Ge(ii) bis(monocation)s 2 and 3 proved to be stable and revealed their electrophilic behaviour towards the Lewis bases studied.
}, issn = {1477-9226}, doi = {10.1039/c9dt00109c}, author = {Sahoo, Padmini and Raut, Ravindra K. and Maurya, Devesh and Kumar, Vikas and Rani, Pooja and Gonnade, Rajesh G. and Majumdar, Moumita} } @article {46002, title = {Stealth emulsion based on natural rubber latex, core-shell ferrofluid/carbon black in the S and X bands}, journal = {Nanotechnology}, volume = {30}, year = {2019}, month = {AUG }, pages = {315703}, type = {Article}, abstract = {
A lossy dielectric with an appropriate magnetic property is one of the requirements of a stealth material. The thickness of the absorber and the corresponding bandwidth of absorption are also other deciding factors that determine the choice of the material as microwave absorbers. A stable emulsion, which is lossy as well as magnetic, is promising, since it can be coated on surfaces with required thickness in the desired band. A magnetic nanofluidic emulsion serves the purpose. A microwave absorbing emulsion based on natural rubber latex with core-shell magnetic nanoparticles, based on superparamagnetic iron oxide nanoparticles (SPIONs), was developed. The effect of additives like carbon black on the bandwidth of absorption was also studied as a function of weight percentage of carbon black. The complex dielectric permittivity and magnetic permeability were evaluated using a vector network analyser in the S and X bands. Furthermore, these results were modelled using surface impedance equations. These investigations revealed that the incorporation of carbon black enhances the bandwidth of absorption and an emulsion with the required dielectric permittivity and magnetic permeability can be tailored for stealth applications.
}, keywords = {carbon black, core-shell nanoparticles, ferrofluid, microwave absorbing paint, natural rubber latex}, issn = {0957-4484}, doi = {10.1088/1361-6528/ab1194}, author = {Vinayasree, S. and Nair, Ajalesh Balachandran and Mani, Manoj and Archana, V. N. and Joseph, Rani and Mohanan, P. and Joy, P. A. and Anantharaman, M. R.} } @article {45624, title = {Stereoselective aromatic ring hydrogenation over supported rhodium catalysts in supercritical carbon dioxide solvent}, journal = {Chemical Record}, year = {2019}, month = {JAN}, type = {Article}, abstract = {The combination of supported rhodium metal catalysts and supercritical carbon dioxide solvent was effective for the stereoselective ring hydrogenations of aromatic compounds at low temperature. Higher solubility of hydrogen in supercritical carbon dioxide provides higher concentration of hydrogen on the rhodium surface, but lower that of the intermediate on rhodium surface, which suppresses the flipping of surface intermediate, leading to higher catalyst activities and cis selectivities to the corresponding ring-hydrogenated products as compared with those in organic solvents.}, doi = {10.1002/tcr.201800128}, author = {Shirai, M. and Hiyoshi, N. and Rode, C. V.} } @article {46211, title = {Stereoselective construction of deoxy-cruciferane alkaloids by NHC-catalyzed intramolecular annulation of homoenolate with quinazolinone}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {AUG}, pages = {7135-7139}, type = {Article}, abstract = {
Chiral N-heterocyclic carbene (NHC)-catalyzed intramolecular [3 + 2] annulation of enals with an unactivated imine moiety of quinazolinone via formal homoenolate cycloaddition has been demonstrated. It is an excellent approach for stereoselective syntheses of deoxy-cruciferane alkaloids comprising a biologically important pyrroloindoline scaffold. Notably, this is the first report on the NHC-catalyzed asymmetric intramolecular homoenolate annulation with cyclic N-acyl amidine.
}, doi = {10.1039/c9ob01243e}, author = {Ahire, Milind M. and Pol, Mahesh D. and Kavale, Dattatry S and Gonnade, Rajesh G. and Mhaske, Santosh B.} } @article {47497, title = {Stereoselective synthesis of subincanadine alkaloids framework}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {58}, year = {2019}, month = {JUN}, pages = {669-673}, type = {Article}, abstract = {Starting from, N-tosyltryptamine and (S)-acetoxysuccinic anhydride, a facile synthesis of (-)-indolizinoindolone has been demonstrated as a basic structural outline of bioactive subincanadine alkaloids. Regioselective Grignard reaction with (S)-acetoxysuccinimide, stereoselective intramolecular cyclization to form (-)-indolizinoindolone skeleton and TiCl4 induced condensation with acetaldehyde for stereoselective generation of exocyclic carbon carbon double bond are the key features.}, keywords = {(S)-Acetoxysuccinimide, alane reduction, condensation, Grignard reaction, indolizinoindolone, PCC-oxidation, stereoselective Pictet-Spengler cyclization}, issn = {0376-4699}, author = {Kalshetti, Manojkumar G. and Argade, Narshinha P.} } @article {46046, title = {Steroidal thiazolidinone derivatives: design, synthesis and their molecular interaction with human serum albumin}, journal = {Steroids}, volume = {148}, year = {2019}, month = {AUG}, pages = {99-113}, type = {Article}, abstract = {
A series of steroidal thiazolidinone derivatives have been synthesized through one-pot multicomponent reaction involving steroidal ketone, thiosemicarbazide/methyl-thiosemicarbazide and DMAD in presence of AlCl3 as a Lewis acid catalyst. Among all the synthesized steroidal thiazolidinone derivatives, compound 7-9 (ST 7-9) were investigated for their in vitro molecular interaction with human serum albumin. Intrinsic fluorescence spectroscopy, constant wavelength synchronous fluorescence spectroscopy, circular dichroism and UV-visible absorption techniques have been exploited to characterize the binding phenomena in phosphate buffer solution at pH 7.4. The experimental results indicated that ST 7-9 bind to HSA and the intrinsic fluorescence of HSA was quenched through static quenching mechanism. The binding parameters were calculated and the binding constants obtained were 1.44 x 10(5) M-1 for ST 7, 0.84 x 10(5) M-1 for ST 8 and 1.06 x 10(5) M-1 for ST 9. Circular dichroism analysis confirms that the presence of ST 7-9, altered the secondary structure of HSA due to partial unfolding of the polypeptide chain. Furthermore, hemolytic activity assay demonstrated that the synthesized steroidal thiazolidinone derivatives have good compatibility towards human red blood cells. Finally, molecular docking studies revealed that the steroidal thiazolidinones can bind in the hydrophobic cavity of HSA, by hydrophobic and hydrogen bonding interaction. These results provided valuable information about the binding mechanism of ST 7-9 with HSA and play a pivotal role in the development of steroidal heterocycle inspired compounds.
}, keywords = {heterocycles, Human serum albumin, steroids, Thiazolidinone}, issn = {0039-128X}, doi = {10.1016/j.steroids.2019.02.015}, author = {Ansari, Anam and Ali, Abad and Asif, Mohd and Shamsuzzaman} } @article {46267, title = {Structural insight into a membrane intrinsic Acyltransferase from Chlorobium tepidum }, journal = {Current Microbiology}, volume = {76}, year = {2019}, month = {NOV}, pages = {1290-1297}, type = {Article}, abstract = {
The Lipid A component of the outer membrane of Gram-negative bacteria is an integral part of the permeability barrier known as LPS, which actively prevents the uptake of bactericidal compounds. It is clinically very significant, as it is known to elicit a strong immune response in the humans, through the TLR4 complex. The Lipid A species are synthesized through a highly conserved multistep biosynthetic pathway. The final step is catalyzed by acyltransferases of the HtrB/MsbB family, which are members of a superfamily of enzymes, present in all domains of life with important roles to play in various biological processes. The investigation of a putative dual functioning enzyme which can add both laurate and myristate residues to the (Kdo)(2)-lipid IVA (precursor of Lipid A) would give a snapshot into the versatility of substrates that these enzymes catalyze. In this study we have cloned and purified to homogeneity, such a putative dual functional acyltransferase from Chlorobium tepidum, and attempted to study the enzyme in more details in terms of its sequence and structural aspects, as it lacks conserved residues with other enzymes of the same family.
}, doi = {10.1007/s00284-019-01743-3}, author = {Boral, Debjyoti and Vankudoth, Koteswara Rao and Ramasamy, Sureshkumar} } @article {46065, title = {Structural insights into the unique inhibitory mechanism of Kunitz type trypsin inhibitor from Cicer arietinum L. Vol. 37}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {37}, year = {2019}, month = {JUL}, pages = {2669-2677}, type = {Article}, abstract = {
Kunitz-type trypsin inhibitors bind to the active pocket of trypsin causing its inhibition. Plant Kunitz-type inhibitors are thought to be important in defense, especially against insect pests. From sequence analysis of various Kunitz-type inhibitors from plants, we identified CaTI2 from chickpea as a unique variant lacking the functionally important arginine residue corresponding to the soybean trypsin inhibitor (STI) and having a distinct and unique inhibitory loop organization. To further explore the implications of these sequence variations, we obtained the crystal structure of recombinant CaTI2 at 2.8 angstrom resolution. It is evident from the structure that the variations in the inhibitory loop facilitates non-substrate like binding of CaTI2 to trypsin, while the canonical inhibitor STI binds to trypsin in substrate like manner. Our results establish the unique mechanism of trypsin inhibition by CaTI2, which warrant further research into its substrate spectrum.
}, keywords = {Chickpea, crystal structure, inhibitory loop, Kunitz trypsin inhibitor, Trypsin}, issn = {0739-1102}, doi = {10.1080/07391102.2018.1494633}, author = {Bendre, Ameya D. and Suresh, C. G. and Shanmugam, Dhanasekaran and Ramasamy, Sureshkumar} } @article {46151, title = {Structure-property relations in regenerated cellulose fibers: comparison of fibers manufactured using viscose and lyocell processes}, journal = {Cellulose}, volume = {26}, year = {2019}, month = {APR}, pages = {3655-3669}, type = {Article}, abstract = {
Regenerated cellulose fibers are produced using two industrially dominant technologies: the viscose and lyocell processes. Here, we compare commercially available fibers, prepared using the viscose and lyocell processes. Single fibers are subjected to a variety of mechanical deformations to obtain stress-strain, stress relaxation and stress recovery data. These are fitted to a phenomenological model, whose parameters are interpreted in terms of the fiber semicrystalline microstructure. This simple model does not incorporate the complexities of semicrystalline microstructure. Rather, it represents structure in a semicrystalline polymer fiber in terms of an elastic crystalline phase that coexists with a viscoelastic Voigt-like glassy amorphous phase. Lyocell fibers are characterized by higher values of crystalline modulus relative to viscose. Lyocell fibers also have a higher amorphous phase modulus and a wider relaxation spectrum than viscose, suggesting that amorphous and crystalline phases are dispersed in close connectivity in lyocell. Viscose and lyocell fibers exhibit qualitative similarities in their mechanical response. On stretching, there is a transition in the stress-strain curve from a low strain elastic response at a critical value of strain. This critical strain has been incorrectly attributed to yielding of the fiber. We establish that this critical value corresponds to an apparent yield. When subjected to strains higher than this apparent yield point, the fibers develop a memory of the mechanical deformation. This memory decays slowly, logarithmically with time and is lost over about a day as the fiber structure transitions back to the original as spun fiber. Finally, we demonstrate that on wetting the fibers with water, there is an increase in the apparent yield strain for viscose fibers, but not for lyocell. We interpret these results in terms of the semicrystalline microstructure of the fibers.
}, keywords = {mechanical properties, Model, Regenerated cellulose, Yielding}, issn = {0969-0239}, doi = {10.1007/s10570-019-02352-w}, author = {Sharma, Aakash and Nagarkar, Shailesh and Thakre, Shirish and Kumaraswamy, Guruswamy} } @article {45512, title = {Studies on nano composites of SPEEK/ethylene glycol/cellulose nanocrystals as promising proton exchange membranes}, journal = {Electrochimica Acta}, volume = {293}, year = {2019}, month = {JAN }, pages = {260-272}, type = {Article}, abstract = {
The present work deals with fabrication and characterisations of nano-composite membranes composed of sulfonated poly (ether ether ketone) (SPEEK) cross-linked and reinforced with ethylene glycol (EG) and cellulose nanocrystals (CNCs) respectively. The thin films of cross-linked composite membranes were prepared by solvent casting method and further analysed for physicochemical and electrochemical properties to execute their applicability as promising proton exchange membrane (PEM) in fuel cells. The process of cross-linking helps to improve the strength and dimensional stability of bare SPEEK membranes without compromising with conductivity. However, presence of CNCs further improves the strength and provides an effective pathway for the conduction of protons in membranes by interacting through their surface hydroxyl and sulfonic acid groups with ionic moieties of polymer matrix. All prepared composite membranes showed good oxidative and thermal stability along with good proton conductivity. The cross-linked SPEEK membranes with 4 wt\% loading of CNCs possess an appreciable proton conductivity of 0.186 S/cm at 95 degrees C and 95\% RH which is comparable to Nafion 117. From the view point of above studies, the prepared nano-composite can be described as promising proton exchange membrane for fuel cells. (c) 2018 Elsevier Ltd. All rights reserved.
}, keywords = {Cellulose nanocrystals, Cross-linked SPEEK, fuel cell, oxidative stability, proton conductivity}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.10.029}, author = {Bano, Saleheen and Negi, Yuvraj S. and Illathvalappil, Rajith and Kurungot, Sreekumar and Ramya, K.} } @article {46288, title = {Studies on the use of sodium polyacrylate (SPA) for low-salt animal skin preservation}, journal = {Environmental Science and Pollution Research}, volume = {26}, year = {2019}, month = {SEP}, pages = { 27100-27111}, type = {Article}, abstract = {
Salt-based preservation is practiced for decades in the leather industry because of its versatility, cost-effectiveness, and availability. The salt removed from the soaking process causes significant pollution including organic and elevated total dissolved solids (TDS). Hence, a low-salt skin preservation method using commercial sodium polyacrylate with a reduced quantity of sodium chloride aiming to retain leather properties and pollution reduction was the principal focus of the study. Commercial sodium polyacrylate initially characterized for water absorption capacity along with structural and functional properties is confirmed by NMR and IR spectroscopic techniques. In preliminary experiments, the process parameters attained optimized conditions of sodium polyacrylate (SPA) quantity (5\%), a minimal amount of salt (15\%), and contact time (4 h) required for skin preservation. Besides, reusability studies after SPA recovery (95\%) were applied to skins with an optimized quantity of SPA and salt subsequently stored for 15 days along with control (40\% salt). The results revealed that SPA with low salt aided an adequate curing efficiency with a substantial reduction (\> 65\%) of TDS and comparable physical and organoleptic properties on par with the conventional method. Overall, SPA supported low-salt skin preservation reduces pollutant load (TDS) caused due to using of 40\% sodium chloride in the conventional curing process.
}, doi = {10.1007/s11356-019-05871-y}, author = {Balasubramanian, Venkatakrishnan and Velappan, Brindha and Vijayan, Sandhya Kurvilla and Jabamani, Hepzibah and Nagarajan, Vedaraman and Victor, John Sundar and Ranganath, Suresha P. and Badiger, Manohar V. and Chinnaraj, Velappan kandukalpatti and Chellappa, Muralidharan} } @article {45601, title = {Studies toward the total synthesis of parvifolals A/B: an intramolecular o-quinone methide [4 + 2]-cycloaddition to construct the central tetracyclic core}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {810{\textendash}818}, type = {Article}, abstract = {
Two different approaches funded upon the intramolecular [4 + 2]-cycloaddition of in situ generated o-quinone methides have been explored to construct the central tetracyclic core of parvifolals A/B. At the outset, a cross-pinacol coupling of 2-formyl tri-O-methyl resveratrol with 4-methoxysalicylaldehyde followed by acid treatment was found to provide the desired tetracyclic core with an internal olefin. The requisite pendant aryl group has been introduced by a Pd-catalyzed direct coupling of corresponding diazonium salt.
}, doi = {10.1021/acsomega.8b02777}, author = {Paymode, D. J. and Ramana, C. V.} } @article {46071, title = {Study of rheology and plug assist thermoforming of linear and branched pp homopolymer and impact copolymer}, journal = {International Polymer Processing}, volume = {34}, year = {2019}, month = {JUL}, pages = {339-355}, type = {Article}, abstract = {
Polypropylene (PP) is one of the fastest growing thermoplastic polymers in the world, second only to polyethylene. This is primarily due to its excellent balance of physical and chemical properties at a lower cost. PP however possesses low melt strength on account of its linear structure and hence is not easily amenable to processing techniques that involve free surface stretching deformations like thermoforming, blow molding and extrusion film casting. One way to enhance the melt strength of PP is to incorporate long chain branches in its molecular architecture. The present study focuses on the impact of rheology of linear and branched PP on their thermoforming characteristics. Two grades each of linear and long chain branched (LCB) PP homopolymer and impact copolymer (ICP) were used. It was observed that the LCB-PP homopolymer and LCB-ICP showed higher flow activation energy, reduced value of loss tangent and nearly equal frequency dependence of storage and loss moduli in shear rheology. Also, a strong strain hardening behavior was displayed in extensional rheology by the LCB grades. Plug assist thermoforming experiments were carried out to assess the effect of long chain branching on surface strain and thickness distribution for axisymmetric cups of two draw ratios. Biaxial surface strain maps of the formed cups were quantified using Grid Strain Analysis (GSA). Thermoformed cups made from LCB-PP homopolymer and LCB-impact copolymer showed lower surface strain and overall higher thickness as compared to cups made from their linear counterparts, which is in accordance with what might be expected from their rheology.
}, issn = {0930-777X}, doi = {10.3139/217.3704}, author = {Marathe, D. and Shelar, S. and Mahajan, S. and Ahmad, Z. and Gupta, S. and Kulkarni, S. and Juvekar, V and Lele, A.} } @article {46354, title = {Superfluous glutamine synthetase activity in Chinese Hamster Ovary cells selected under glutamine limitation is growth limiting in glutamine-replete conditions and can be inhibited by serine}, journal = {Biotechnology Progress}, volume = {35}, year = {2019}, month = {SEP-OCT}, pages = {UNSP e2856}, type = {Article}, abstract = {
Passaging and expansion of animal cells in lean maintenance medium could result in periods of limitation of some nutrients. Over time, such stresses could possibly result in selection of cells with metabolic changes and contribute to heterogeneity. Here, we investigate whether selection of Chinese Hamster Ovary (CHO) cells under glutamine limitation results in changes in growth under glutamine-replete conditions. In glutamine-limiting medium, compared to control cells passaged in glutamine-rich medium, the selected cells showed higher glutamine synthetase (GS) activity and attained a higher peak viable cell density (PVCD). Surprisingly, in glutamine-replete conditions, selected cells still showed a higher GS activity but a lower PVCD. We show that in glutamine-replete medium, PVCD of selected cells was restored on (a) inhibition of GS activity with methionine sulfoximine, (b) supplementation of aspartate-without affecting GS activity, and (c) supplementation of serine, which is reported to inhibit GS in vitro. Consistent with the reported effect of serine, inhibition of GS activity was observed upon serine supplementation along with reduced growth of cells under glutamine-limiting conditions. The latter observation is important for the design of glutamine-free culture medium and feed used for GS-CHO and GS-NS0. In summary, we show that CHO cells selected under glutamine limitation have superfluous GS activity in glutamine-replete medium, which negatively affects their PVCD. This may be due to its effect on availability of aspartate which was the limiting nutrient for the growth of selected cells in glutamine-replete conditions.
}, keywords = {C-13 tracer analysis, CHO cells, glutamine limitation, Glutamine synthetase, GS-CHO, GS-NS0, selection under nutrient limitation, serine}, issn = {8756-7938}, doi = {10.1002/btpr.2856}, author = {Maralingannavar, Vishwanathgouda and Parmar, Dharmeshkumar and Panchagnula, Venkateswarlu and Gadgil, Mugdha} } @article {46044, title = {Superior humidity sensor and photodetector of mesoporous ZnO nanosheets at room temperature}, journal = {Sensors and Actuators B-Chemical}, volume = {293}, year = {2019}, month = {AUG}, pages = {83-92}, type = {Article}, abstract = {
Miniaturized sensor technology is vastly demanding multifunctional materials to fulfill many requirements simultaneously; instead of integrating various sensors into a single device. Efficient operation of these miniaturized sensors at room temperature is highly feasible and cost-effective. The humidity sensing and photodetection is precise merit of sensing in special usage like artificial skin. Sensitivity enhancement in both humidity and photodetection required the high surface area for adsorption as well as a high charge transfer mechanism. The two dimensional (2D) zinc oxide nanosheets (ZnO NS) is the ultimate structure for dimensionally confined transport properties owing to the specific surface atomic configuration that results in high sensitivity, low operating temperature, fast response and recovery, and improved selectivity. Furthermore, introducing porosity into 2D nanostructures has opened new opportunities to enhance the efficiency of sensors and detectors via increasing large surface area and tunable physical and chemical properties. Here we report preparation of mesoporous and highly crystalline 2D ZnO NS by a single step, template free, cost-effective chemical method. The structural and morphological characterizations of ZnO NS are carried out using XRD, FESEM, XPS, TEM respectively. The high-resolution TEM images emphasize sheet-like morphology with a thickness of around 18-22 nm. Further the mesoporous ZnO NS (MZNS) with the pore size between 5-10 nm are achieved by simple heat-treatment. XPS and PL study is confirming the oxygen deficiency in MZNS. The MZNS exhibits an excellent responsivity than PZNS with a fast response and rapid recovery time of 25 s and 5 s respectively along with good cyclic stability which is highly crucial for smart humidity sensor. Furthermore, it considerably enhances photo-sensor performance than pristine ZnO NS (PZNS) with (similar to)1 s response time as well as (similar to)1 s recovery time along with better stability. These promising results illustrate the great potential of MZNS for next-generation humidity sensors and photodetectors.
}, keywords = {humidity sensor, Mesoporous, nanosheets, Photo-detector}, issn = {0925-4005}, doi = {10.1016/j.snb.2019.04.086}, author = {Gupta, Shobhnath P. and Pawbake, Amit S. and Sathe, Bhaskar R. and Late, Dattatray J. and Walke, Pravin S.} } @article {46069, title = {Supramolecular synthon hierarchy in sulfonamide cocrystals with syn-amides and N-oxides}, journal = {IUCRJ}, volume = {6}, year = {2019}, month = {JUL}, pages = {751-760}, type = {Article}, abstract = {
Sulfonamide drugs are well known antibacterial and antimicrobial molecules for pharmaceutical development. Building a library of suitable supramolecular synthons for the sulfonamide functional group and understanding their crystal structures with partner coformer molecules continues to be a challenge in crystal engineering. Although a few sulfonamide cocrystals with amides and N-oxides have been reported, the body of work on sulfonamide synthons is limited compared with those that have carboxylic acids and carboxamides. To address this structural gap, the present work is primarily focused on sulfonamide-lactam and sulfonamide-syn-amide synthons with drugs such as celecoxib, hydrochlorothiazide and furosemide. Furthermore, the electrostatic potential of previously reported cocrystals has been recalculated to show that the negative electrostatic potential on the lactam and syn-amide O atom is higher compared with the charge on carboxamide and pyridine N-oxide O atoms. The potential of sulfonamide molecules to form cocrystals with syn-amides and lactams are evaluated in terms of the electrostatic potential energy for the designed supramolecular synthons.
}, keywords = {cocrystals, crystal engineering, sulfonamides, supramolecular synthons, syn-amides}, issn = {2052-2525}, doi = {10.1107/S2052252519005037}, author = {Bolla, Geetha and Nangia, Ashwini} } @article {46143, title = {Surfactant free synthesis of Au@Ni core-shell nanochains in aqueous medium as efficient transfer hydrogenation catalyst}, journal = {Applied Catalysis A-General}, volume = {575}, year = {2019}, month = {APR }, pages = {93-100}, type = {Article}, abstract = {
A surfactant free aqueous phase synthesis method is reported for the generation of highly lattice mismatched Au@Ni core-shell nanochains without using any expensive and hazardous organic ligands. As synthesised Au@Ni nanochain structures showed high thermal stability and bulk oxidation resistance up to 300 degrees C. In situ near ambient pressure XPS (NAPXPS) analysis has been done for the bare Au@Ni nanochain surfaces under oxygen atmosphere and at different temperatures which showed evidence for the surface oxidation resistance of naked Au@Ni nanochains up to 200 degrees C. Ligand or capping agent free Au@Ni nanochain surfaces are found to be highly active for transfer hydrogenation of acetophenone to 1-phenyl ethanol an important commodity in perfumery industry.
}, keywords = {Au@Ni nanochains, core-shell, NAPXPS, Surfactant free, synergistic effects, transfer hydrogenation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2019.01.017}, author = {Vysakh, A. B. and Shebin, K. J. and Jain, Ruchi and Sumanta, P. and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article {46304, title = {Sustained release insect repellent microcapsules using modified cellulose nanofibers (mCNF) as pickering emulsifier}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {582}, year = {2019}, month = {DEC }, pages = {Article Number:123883}, type = {Article}, abstract = {
We report here an approach to encapsulate N, N-diethyl-3-methylbenzamide (DEET), an insect repellent, through interfacial polycondensation using modified cellulose nanofiber (CNF) as pickering emulsifier. We found that stearic acid functionalized CNF (mCNF) can be used to form stable pickering emulsions (oil-in-oil and water-in-oil), and further encapsulate DEET using interfacial polycondensation with very high encapsulation efficiency of about 98\%. Another major advantage of this approach is that mCNF can act both as pickering emulsifier and also strengthen the barrier properties of microcapsules resulting in significant reduction in release rate of DEET. Interpretation of the release profiles using standard mathematical models proposed by Ritger-Peppas show a factor of three reduction in release rate constant for the microcapsules reinforced with mCNF.
}, keywords = {Cellulose nanofiber, Controlled release, Microcapsules, Nanocomposite, nanoparticle, Pickering emulsion}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2019.123883}, author = {Kadam, Sandip L. and Yadav, Prashant and Bhutkar, Siddhant and Patil, Vishal D. and Shukla, Parshuram G. and Shanmuganathan, Kadhiravan} } @article {45606, title = {Synergetic combination of H2Zr1PW12O40 and Sn-Beta as potential solid acid catalyst for direct one-step transformation of glucose to ethyl levulinate, a biofuel additive}, journal = {Environmental Progress and Sustainable Energy}, year = {2019}, month = {FEB}, type = {Article}, abstract = {Ethyl levulinate (EL) has found wide applications as chemicals and biofuel additives. Efficient catalytic conversion of abundantly available glucose to ELs over solid acid catalyst having optimum Br{\o}nsted (B) and Lewis (L) acidity is highly appreciated. Present work demonstrated, direct one-step synthesis of EL from glucose over synergized Br{\o}nsted (H2Zr1PW12O40) and Lewis (Sn-Beta) acid catalyst. H2Zr1PW12O40 is prepared by exchanging H+ of tungstophosphoric acid (H3PW12O40-heteropolyacid) with Zr, improves the heterogeneity in polar medium by 50\%. The combination of a physical mixture of H2Zr1PW12O40 + Sn-Beta with 80:20 weight ratio was found to be optimum for the maximum EL yield formation of 54\% from glucose at 180{\textdegree}C for 3 h, which is probably the highest than reported over the heterogeneous catalyst in ethanol medium. An optimal combination of B and L catalyst and its ratio is found to be crucial for the direct transformation of glucose to EL in one step. The present study also explored that this combined physical mixture of H2Zr1PW12O40 + Sn-Beta can tolerate glucose concentration up to 30 g/L, which is probably the higher than reported. {\textcopyright} 2019 American Institute of Chemical Engineers Environ Prog, 2019}, doi = {10.1002/ep.13173}, author = {Mulik, N. and Niphadkar, P. and Bokade, V.} } @article {46012, title = {Synthesis and antimycobacterial evaluation of new 5-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methyl-2-arylthiazole derivatives}, journal = {Medicinal Chemistry Research}, volume = {28}, year = {2019}, month = {JUN}, pages = {805-819}, type = {Article}, abstract = {
A new series of 5-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methyl-2-arylthiazole derivatives, 6a-w have been synthesized by click reaction of substituted benzylazide, 5a-d with 5-ethynyl-4-methyl-2-substituted phenylthiazole, 4a-f. The starting compounds 4-ethynyl-2-substituted phenylthiazole (4a-f) were synthesized from the corresponding thiazole aldehyde by using the Ohira-Bestmann reagent. The structure of the synthesized compounds was determined by spectral analysis. All the synthesized compounds were screened for their preliminary antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB, ATCC 25177). Most of the synthesized compounds reported good activity against M. tuberculosis H37Ra strain with IC50 range of 0.58-8.23 mu g/mL. Compounds 6g and 6k reported good antitubercular activity with MIC90 values of 4.71 and 2.22 mu g/mL, respectively. Potential antimycobacterial activity suggested that these compounds could serve as good lead compounds for further optimization and development of a newer antitubercular candidate. [GRAPHICS] .
}, keywords = {1, 2, 3-Triazole, Antitubercular activity, Molecular docking, Ohira-Bestmann reagent, Thiazole}, issn = {1054-2523}, doi = {10.1007/s00044-019-02310-y}, author = {Shinde, Vikas and Mahulikar, Pramod and Mhaske, Pravin C. and Chakraborty, Shakti and Choudhari, Amit and Phalle, Siddharth and Choudhari, Prafulla and Sarkar, Dhiman} } @article {46201, title = {Synthesis and biological evaluation of 2,4,5-trisubstituted thiazoles as antituberculosis agents effective against drug-resistant tuberculosis}, journal = {European Journal of Medicinal Chemistry}, volume = {178}, year = {2019}, month = {SEP}, pages = {315-328}, type = {Article}, abstract = {
The dormant and resistant form of Mycobacterium tuberculosis presents a challenge in developing new anti-tubercular drugs. Herein, we report the synthesis and evaluation of trisubstituted thiazoles as antituberculosis agents. The SAR study has identified a requirement of hydrophobic substituent at C2, ester functionality at C4, and various groups with hydrogen bond acceptor character at C5 of thiazole scaffold. This has led to the identification of 13h and 13p as lead compounds. These compounds inhibited the dormant Mycobacterium tuberculosis H37Ra strain and M. tuberculosis H37Rv selectively. Importantly, 13h and 13p were non-toxic to CHO cells. The 13p showed activity against multidrug-resistant tuberculosis isolates. (C) 2019 Elsevier Masson SAS. All rights reserved.
}, doi = {10.1016/j.ejmech.2019.05.082}, author = {Karale, Uttam B. and Krishna, Vagolu Siva and Krishna, E. Vamshi and Choudhari, Amit S. and Shukla, Manjulika and Gaikwad, Vikas R. and Mahizhaveni, B. and Chopra, Sidharth and Misra, Sunil and Sarkar, Dhiman and Sriram, Dharmarajan and Dusthackeer, V. N. Azger and Rode, Haridas B.} } @article {46290, title = {Synthesis and biological evaluation of new 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl)-2-phenylthiazole derivatives}, journal = {Journal of Heterocyclic Chemistry}, year = {2019}, month = {SEP}, type = {Article; Early Access}, abstract = {
A novel series of 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl)-2-substitutedthiazole derivatives (8a-l) have been synthesized by [3 + 2] cycloaddition reaction of 4-(4-ethynylphenyl)-2-substitutedthiazole with substituted benzyl azide in aqueous DMF. Starting compounds 4-(4-ethynylphenyl)-2-substitutedthiazole (6a-d) were synthesized by reaction of 4-(2-substitutedthiazol-4-yl)benzaldehyde with Ohira-Bestmann reagent in methanol. The structures of these novel triazole-thiazole clubbed derivatives were confirmed by the spectral analysis. The title compounds (8a-l) were tested for antimycobacterial activity against Mycobacterium tuberculosis H37Ra active and dormant (MTB, ATCC 25177) and antimicrobial activity against standard Gram-positive bacteria, Staphylococcus aureus (NCIM 2602) and Bacillus subtilis (NCIM 2162), and Gram-negative bacteria, Escherichia coli (NCIM 2576) and Pseudomonas flurescence (NCIM 2059). Compounds 8a, 8b, 8c, and 8h reported good activity against B subtilis, compounds 8a, 8b, and 8c showed good activity against S aureus, and compound 8b showed good activity against dormant M tuberculosis H37Rv strain. Compounds 8b and 8c found more potent against Gram positive and dormant M tuberculosis H37Rv strains. These novel triazole-thiazole clubbed analogues found to be a capable leads for further optimization and development.
}, issn = {0022-152X}, doi = {10.1002/jhet.3708}, author = {Shinde, Vikas and Mhaske, Pravin C. and Singh, Aakriti and Sarkar, Dhiman and Mahulikar, Pramod} } @article {45575, title = {Synthesis and characterization of zinc oxide nanoparticles by using polyol chemistry for their antimicrobial and antibiofilm activity}, journal = {Biochemistry and Biophysics Reports }, volume = {17}, year = {2019}, month = {MAR}, pages = {71-80}, type = {Article}, abstract = {The present investigation deals with facile polyol mediated synthesis and characterization of ZnO nanoparticles and their antimicrobial activities against pathogenic microorganisms. The synthesis process was carried out by refluxing zinc acetate precursor in diethylene glycol(DEG) and triethylene glycol(TEG) in the presence and in the absence of sodium acetate for 2 h and 3 h. All synthesized ZnO nanoparticles were characterized by X-ray diffraction (XRD), UV visible spectroscopy (UV), thermogravimetric analysis (TGA), fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy(FESEM), transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDX) technique. All nanoparticles showed different degree of antibacterial and antibiofilm activity against Gram-positive Staphylococcus aureus (NCIM 2654)and Gram-negative Proteus vulgaris (NCIM 2613). The antibacterial and antibiofilm activity was inversely proportional to the size of the synthesized ZnO nanoparticles. Among all prepared particles, ZnO nanoparticles with least size (~ 15 nm) prepared by refluxing zinc acetate dihydrate in diethylene glycol for 3 h exhibited remarkable antibacterial and antibiofilm activity which may serve as potential alternatives in biomedical application.}, doi = {10.1016/j.bbrep.2018.11.007}, author = {Mahamuni, P. P. and Patil, P. M. and Dhanavade, M. J. and Badiger, M. V. and Shadija, P. G. and Lokhande, A. C. and Bohara, R. A.} } @article {46248, title = { Synthesis and reactivity of a hypersilylsilylene }, journal = {Inorganic chemistry}, volume = {58}, year = {2019}, month = {AUG}, pages = {10536-10542}, type = {Article}, abstract = {
Stabilization of an amidinatosilylene with a bulky tris(trimethylsilyl)silyl substituent was realized with the preparation of PhC(NtBu)(2)Si{Si(SiMe3)(3)} (1) from PhC(NtBu)(2)SiHCl2 with K{Si(SiMe3)(3)} in more than 90\% yield. The highly deshielded Si-29 NMR resonance (delta = 76.91 ppm) can be attributed to the absence of a pi-donating substituent. The molecular structure of 1 shows a trigonal-planar geometry around the Si-II center with a Si-II-Si-IV bond length of 2.4339(13) angstrom. A series of reactions of 1 with Me3NO, S, Se, and Te were performed. While siloxane derivatives (2 and 3) are obtained from reactions with Me3NO, silachalcogenones (4-6) are formed with other chalcogens. The presence of Si=E (E = S, Se, and Te) bonds in 4-6 have been confirmed by single crystal X-ray studies. Silaoxirane (7) formation was observed when 1 was treated with acetone, demonstrating the importance of the tris(trimethylsilyl)silyl group to kinetically and thermodynamically protect the silaoxirane derivative with less bulky substituents on the C atom.
}, doi = {10.1021/acs.inorgchem.9b00418}, author = {Bisai, Milan Kumar and Swamy, V. S. V. S. N. and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47493, title = {Synthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-chromone fused α-aminophosphonates as Src kinase inhibitors}, journal = {Journal of Scientific and Industrial Research}, volume = {78}, year = {2019}, month = {FEB}, pages = {111-117}, type = {Article}, abstract = {A series of novel chromone/aza-chromone fused α-aminophosphonate derivatives were synthesized in good yields using silica chloride as the catalyst. All the synthesized compounds were tested for their c-Src kinase inhibitory activity. Aza-chromone compound showed Src kinase inhibition with an IC50 value of 15.8 {\textmu}M. The compounds were subjected to molecular docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein kinase Src (PDB code 1Y57) as well as phosphorylated tyrosine protein kinase Src (PDB code 2H8H). Docking and molecular dynamic results revealed phosphorylated Src tyrosine kinase protein better results than unphosphorylated tyrosine Src kinase protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC of 0.835 was obtained when the SVR model was applied to the 17 synthesized compounds. It is envisaged that the work will provide guidelines for future drug design efforts for Src kinase inhibitors.}, author = {Bapat, Sanket and Viswanadh, N. and Mujahid, M. and Shirazi, Amir Nasrolahi and Tiwari, Rakesh and Parang, Keykavous and Karthikeyan, Muthukumarasamy and Muthukrishnan, M. and Vyas, Renu} } @article {46223, title = {Synthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-Chromone fused alpha-aminophosphonates as src kinase inhibitors}, journal = {Journal of Scientific \& Industrial Research}, volume = {78}, year = {2019}, month = {FEB}, pages = {111-117}, type = {Article}, abstract = {
A series of novel chromone/aza-chromone fused alpha-aminophosphonate derivatives were synthesized in good yields using silica chloride as the catalyst. All the synthesized compounds were tested for their c-Src kinase inhibitory activity. Aza-chromone compound showed Src kinase inhibition with an IC50 value of 15.8 mu M. The compounds were subjected to molecular docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein kinase Src (PDB code 1Y57) as well as phosphorylated tyrosine protein kinase Src (PDB code 2H8H). Docking and molecular dynamic results revealed phosphorylated Src tyrosine kinase protein better results than unphosphorylated tyrosine Src kinase protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC of 0.835 was obtained when the SVR model was applied to the 17 synthesized compounds. It is envisaged that the work will provide guidelines for future drug design efforts for Src kinase inhibitors.
}, author = {Bapat, S. and Viswanadh, N. and Mujahid, M. and Shirazi, A. N. and Tiwari, R. K. and Parang, K. and Karthikeyan, M. and Muthukrishnan, M. and Vyas, Renu} } @article {46009, title = {Synthesis, characterization, Hirshfeld surface, cytotoxicity, DNA damage and cell cycle arrest studies of N, N-diphenyl-N {\textquoteleft}-(biphenyl-4-carbonyl/4-chlorobenzoyl) thiocarbamides}, journal = {Journal of Molecular Structure}, volume = {1186}, year = {2019}, month = {JUN}, pages = {333-344}, type = {Article}, abstract = {
The condensation reaction of biphenyl-4-carbonyl isothiocyanate/4-chlorobenzoyl isothiocyanate with diphenylamine yielded two new compounds; N-diphenyl-N{\textquoteright}-(biphenyl-4-carbonyl) thiocarbamide (1) and N, N-diphenyl-N{\textquoteright}-(4-chlorobenzoyl) thiocarbamide (2). Structure of the compounds were determined by analytical, spectroscopic (UV-Visible, FT-IR, H-1, \& C-13 NMR), powder and single-crystal X-ray diffraction methods. Hirshfeld surface analysis and their associated two dimensional fingerprint plots of compounds were used as theoretical approach to assess driving force for crystal structure formation via the intermolecular interactions in their crystal lattices. The compounds were screened for their in vitro cytotoxicity activity against a panel of five human cancer cell lines namely; cervical (2008 and C13*) and ovarian carcinoma (A2780, A2780/CP and IGROV-1). Both the compounds exhibited promising activity against cervical and IGROV-1 cancer cells whereas for the other two cell lines appreciable activities were observed. The cell cycle arrest at G(0)/G(1) phase is supported by the DNA damage and apoptosis studies of the compounds against 2008, C13* and IGROV-1 cell lines. (C) 2019 Elsevier B.V. All rights reserved.
}, keywords = {DNA damage and cell cycle arrest, Hirshfeld surface analysis, In vitro cytotoxicity, Thiocarbamide, X-ray crystal structure}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2019.03.057}, author = {Pandey, Sunil K. and Pratap, Seema and Rai, Sunil K. and Marverti, Gaetano and Kaur, Manpreet and Jasinski, Jerry P.} } @article {45480, title = {Synthesis, characterization, pharmacological and computational studies of 4, 5, 6, 7-tetrahydro-1, 3-benzothiazole incorporated azo dyes}, journal = {Journal of Molecular Structure}, volume = {1179}, year = {2019}, month = {MAR}, pages = {630-641}, type = {Article}, abstract = {
The present work describes the synthesis of five novel heterocyclic azo dyes (4a-4e) through conventional diazo-coupling reaction of 4, 5, 6, 7-tetrahydro-1, 3-benzothiazole with various coupling compounds at 0-5 degrees C. The chemical structures of the synthesized azo dyes were characterized by both theoretical and experimental techniques. All the synthesized molecules were evaluated for their antioxidant activity by two different techniques such as DPPH and FRAP. The results indicated that all the synthesized compounds proved to be potent antioxidants. The anti-mycobacterial activity of the azo dyes was tested against M. tuberculosis and the compounds 4a and 4e showed higher activity among the tested dyes. The DNA binding studies showed effective intercalation properties between the azo dyes and CT-DNA. Finally, the molecular docking studies indicated a possible interaction of the azo dyes with target receptor RpsA. (C) 2018 Elsevier B.V. All rights reserved.
}, keywords = {Azo dyes, Benzothiazole, CT-DNA, DFT, tuberculosis}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2018.11.041}, author = {Maliyappa, M. R. and Keshavayya, J. and Mallikarjuna, N. M. and Krishna, P. Murali and Shivakumara, N. and Sandeep, Telkar and Sailaja, Krishnamurty and Nazrulla, Mohammed Azeezulla} } @article {45507, title = {Synthesis of 2-Aryl naphthoquinones by the cross-dehydrogenative coupling involving an NHC-catalyzed endo-stetter reaction}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {JAN }, pages = {1103-1110}, type = {Article}, abstract = {
An N-heterocyclic carbene (NHC)-catalyzed intramolecular Stetter reaction proceeding via the endo-fashion was the key step for the transition-metal-free and mild cross-dehydrogenative coupling of 2-cinnamoyl benzal-dehydes allowing for the synthesis of 2-aryl naphthoquinones. In this transformation, the carbene generated from the triazolium salt using Na2CO3 catalyzes the intramolecular Stetter reaction, which was followed by air oxidation to reinstall the C-C double bond.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02931}, author = {Ghosh, Arghya and Patra, Atanu and Mukherjee, Subrata and Biju, Akkattu T.} } @article {46417, title = {Synthesis of a 3D free standing crystalline NiSex matrix for electrochemical energy storage applications}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {DEC }, pages = {16873-16881}, type = {Article}, abstract = {
The electrochemical performance for energy storage of three-dimensional (3D) self-supported heterogeneous NiSex cubic-orthorhombic nanocrystals grown by a facile one-step chemical vapour deposition (CVD) approach on Ni foam substrates has been explored. NiSex shows a high specific capacitance of 1333 F g(-1) with ultra-high energy (105 W h kg(-1)) and power (54 kW kg(-1)) densities. Furthermore, by integrating the as-grown NiSex as the anode and reduced graphene oxide as the cathode, a hybrid super-capacitor (HSC) prototype with a coin cell configuration has been fabricated. The device shows better capacitance (40 F g(-1)) with high energy (22 W h kg(-1)) and power (5.8 kW kg(-1)) densities and robust cycling durability (similar to 88\% capacitance retention after 10 000 repeated cycles). For practical reliability of the as-fabricated HSC, a red LED has been illuminated by connecting it with two charged coin cells. These outstanding performances of the HSC prove to be promising for applications in high energy storage systems.
}, issn = {1477-9226}, doi = {10.1039/c9dt03150b}, author = {Dinara, Syed Mukulika and Samantara, Aneeya K. and Das, Jiban K. and Behera, J. N. and Nayak, Saroj K. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {46165, title = {Synthesis of artemisinin derived glycoconjugates inspired by click chemistry}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {MAR }, pages = {4017-4021}, type = {Article}, abstract = {
Herein we describe the synthesis of artemisinin based glycoconjugates (9a-i) through employing a Cu(i)-catalysed reaction between -propargylated dihydroartemisinin (7a) and azido sugars (8a-i), with moderate to excellent yields. Our synthesized artemisinin based glycoconjugates (9a-i) could prove to be an interesting class of bioactive molecules, suitable for the study of their various biological activities.
}, issn = {1144-0546}, doi = {10.1039/c8nj05737k}, author = {Goswami, Lakshmi and Paul, Sayantan and Kotammagari, Tharun K. and Bhattacharya, Asish K.} } @article {46220, title = { Synthesis of biodiesel using the Mg/Al/Zn hydrotalcite/SBA-15 nanocomposite catalyst }, journal = {Acs Omega}, volume = {4}, year = {2019}, month = {FEB}, pages = {3500-3507}, type = {Article}, abstract = {
Biodiesel production is an enchanting and eccentric pathway for the reduction of use of fossil fuels and is procured from biologically available renewable sources such as oils and fats. A novel Mg/Al/Zn-based hydrotalcite/SBA-15 composite material having a high catalytic activity was developed and investigated for the transesterification of vegetable oil. The rationally developed composites were systematically characterized and assessed in the transesterification of soybean oil in the presence of methanol. The physicochemical evaluation of the nanocomposites demonstrated the influence of Zn in the textural characteristics, density of the basic sites, and successively the catalytic activity. The catalytic efficiency of the MAZ-x/SBA-15 composite could be linked with the basic site density determined by the temperature-programmed desorption of CO2. Among all the composites used, the MAZ-1/SBA-15 nanocomposite showed the highest activity for biodiesels, with a yield of around 90\% under economical reaction conditions. The catalytic studies conferred that the fatty acid methyl ester yield is significantly influenced by various experimental conditions such as the catalyst molar ratio, reaction temperature, pressure, and contact time. It was also found that the incorporation of hydrotalcite into SBA-15 pore channels can enhance the catalyst efficiency and stability of the nanocomposite. Moreover, under mild reaction conditions, a remarkably stable catalytic performance was achieved for more than 200 h of time on stream with no catalyst deactivation.
\
}, doi = {10.1021/acsomega.8b02547}, author = {Prabu, Marimuthu and Manikandan, Marimuthu and Kandasamy, Prabu and Kalaivani, P. R. and Rajendiran, Nagappan and Raja, Thirumalaiswamy} } @article {47483, title = {Synthesis of biphasic nanomaterials based on ZnO and SnO2: application towards photocatalytic degradation of acid red dye}, journal = {Nano-Structures \& Nano-Objects}, volume = {18}, year = {2019}, month = {APR}, type = {Article}, abstract = {Zn2SnO4/SnO2 and ZnO/SnO2 biphasic nanocatalysts have been synthesized by a facile solvothermal method using ethylene glycol (EG) as solvent in three different ways maintaining the pH of the solution at either 3 or 9 followed by calcination at 700 {\textdegree}C. The nanocatalysts are characterized by different techniques to investigate their structure, composition, morphology and optical properties. The XRD results indicate the formation of pristine biphasic composites. The UV-absorbance and photoluminescence spectra confirms the formation of biphasic composites as well as presence of large number of defects in the prepared nanocatalysts. The biphasic nanocomposites possess better photocatalytic activity towards the degradation of Acid Red-183 (AR-183) dye than pristine SnO2 and ZnO nanoparticles. This is mainly due to better charge separation, minimal recombination rate of charge carriers and defect-riched structures of nanocatalysts.}, doi = {10.1016/j.nanoso.2019.100292}, author = {Kudale, Ananada S. and Kamble, Santosh B. and Gore, Anil H. and Pisal, Mahesh M. and Salokhe, Anil T. and Kolekar, Govind B. and Helavi, Vasant B.} } @article {46212, title = {Synthesis of chiral tetrahydrofuran building blocks from pantolactones: application in the synthesis of empagliflozin and amprenavir analogs}, journal = {Europen Journal of Organic Chemistry}, year = {2019}, month = {JUL}, type = {Article}, abstract = {
Chiral 4,4-dimethyl tetrahydrofuran (THF) derivatives were synthesized from commercially available D-(-)/ l-(+) pantolactones, which can serve as chiral building blocks in medicinal chemistry. In addition, two of the synthesized building blocks were utilized for the synthesis of new amprenavir (HIV protease inhibitor) and empagliflozin (anti-diabetic) analogs. The synthesized analogs may have beneficial effects in terms of pharmacokinetics and modulation of bioactivity.
}, doi = {10.1002/ejoc.201900718}, author = {Athawale, Paresh R and Kumari, Neeta and Kashinath, K and Reddy, D. Srinivasa} } @article {46281, title = {Synthesis of deuterated isopentyl pyrophosphates for chemo-enzymatic labelling methods: GC-EI-MS based 1,2-hydride shift in epicedrol biosynthesis}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {SEP}, pages = { 28258-28261}, type = {Article}, abstract = {
A sesquiterpene epicedrol cyclase mechanism was elucidated based on the gas chromatography coupled to electron impact mass spectrometry fragmentation data of deuterated (H-2) epicedrol analogues. The chemo-enzymatic method was applied for the specific synthesis of 8-position labelled farnesyl pyrophosphate and epicedrol. EI-MS fragmentation ions compared with non-labelled and isotopic mass shift fragments suggest that the H-2 of C6 migrates to the C7 position during the cyclization mechanism.
}, doi = {10.1039/c9ra00163h}, author = {Said, Madhukar S. and Navale, Govinda R. and Gajbhiye, Jayant M. and Shinde, Sandip S.} } @article {46203, title = {Synthesis of hexaphenylbenzene-based template assembled synthetic proteins}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {AUG}, type = {Article}, abstract = {
Template-assembled synthetic proteins (TASPs) synthesized from rigid templates have attracted attention due to their interesting structural architectures and potential biomedical applications. Herein, we report the design, synthesis and characterizations of TASPs based on hexaphenylbenzene template (HPB) having twelve peptide attachable axial-arms in its structure. The peptides were attached to all the axial-arms of the template in a single step using simple solution phase peptide coupling strategy. The reaction conditions were standardized systematically using simple amines from smaller size to larger ones. (C) 2019 Elsevier Ltd. All rights reserved.
}, doi = {10.1016/j.tetlet.2019.07.011}, author = {Madhu, Suresh and Madica, Krishnaprasad and Gonnade, Rajesh and Sanjayan, Gangadhar J} } @article {46440, title = {Synthesis of high surface area porous carbon from anaerobic digestate and it{\textquoteright}s electrochemical study as an electrode material for ultracapacitors}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {NOV}, pages = {36343-36350}, type = {Article}, abstract = {
The remnants of the anaerobic digestion process, {\textquoteleft}the digestate,{\textquoteright} mainly consist of fibrous lignin and cellulose like molecules, as a significant carbon repository along with some other inorganic impurities. The present work demonstrates the potential use of anaerobically treated fruit and vegetable waste (FVW) as a source of porous carbon for supercapacitor electrode materials. This work suggests that the FVW digestate can inherit silicon (Si) and calcium (Ca) based inorganic impurities, which play an essential role as structure directing agents for digestate derived carbon. These contaminants act as hard templates during carbonization to create hierarchical pores and contribute to an enhancement in surface area. Different batches from an anaerobic biogas digester plant are converted to porous carbon and examined as a potential supercapacitor electrode material. A maximum capacitance of 235 F g(-1) is achieved from DDHPC-4kh carbon with a specific surface area of 2502 m(2) g(-1) at a current density of 1 A g(-1) in an acidic aqueous electrolyte. The results are significant in comparison to other bio-sourced precursors studied previously.
}, doi = {10.1039/c9ra06603a}, author = {Chaturvedi, Vikash and Usangonvkar, Saurabh and Shelke, Manjusha V.} } @article {45499, title = {Synthesis of nanogate structure in GO-ZnS sandwich material}, journal = {Scientific Reports}, volume = {9}, year = {2019}, month = {JAN}, pages = {Article Number: 937}, type = {Article}, abstract = {
Graphite Oxide (multi-layer) composite with other materials has a huge application in various field of science, due to its excellent and unique properties. Even though from past decade, immense research has been done by materials scientists in this field, but the chemistry is still not yet satisfactory. Here, in this work, through the discovery of Nanogate structure, we have reported for the first time the experimental results that enlightened the clear chemistry between the GO and ZnS which is further supported by the DFT calculations. This novel synthesis method led to the discovery of nanogate structure sandwiched between the GO layers. The nanogate formation also shows enhanced properties for various applications like photocatalytic activities, etc. Due to the nanogate formation, there might be a possibility of enormous generation of electrons on excitation of the composite materials, which can be a boom for various applications like photocatalysis, water splitting, solar cell, etc.
}, issn = {2045-2322}, doi = {10.1038/s41598-018-37396-8}, author = {Kumar, Praveen and Luwang, Meitram Niraj} } @article {46314, title = {Synthesis of new 1,3,4-oxadiazole and benzothiazolylthioether derivatives of 4-arylmethylidene-3-substituted-isoxazol-5(4H)-one as potential antimycobacterial agents}, journal = {Medicinal Chemistry Research}, volume = {28}, year = {2019}, month = {NOV}, pages = {1873-1884}, type = {Article}, abstract = {
A new series of 4-[(substituted benzylidene)-3-[(5-(pyridine-4-yl)-1,3,4-oxadiazole-2-ylthio)-methyl]i soxazol-5(4H)-one (6a-g) and 4-(substituted benzylidene)-3-((benzo[d]thiazol-2-ylthio)methyl)isoxazol-5(4H)-one (8a-g) was synthesized. All the synthesized compounds were screened for antitubercular activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743) and antibacterial activity against Escherichia coli (NCIM 2576), Pseudomonas flurescence (NCIM 2059), Staphylococcus aureus (NCIM 2602), Bacillus subtilis (NCIM 2162). Amongst the synthesized 1,3,4-oxadiazole and benzothiazoyl thioether derivatives, compounds 6b and 8b showed excellent antimycobacterial activity and compounds 6b, 8a, 8b, and 8d showed excellent antibacterial activity against all tested antibacterial strains. The synthesized compounds were further evaluated for their cytotoxic activity against the HCT 116 and HeLa cancer cell lines. The 1,3,4-oxadiazole and benzothiazoyl thioether derivatives 6a-g and 8a-g did not show cytotoxicity.
}, keywords = {1, 3, 4-Oxadiazole, antibacterial activity, Antitubercular activity, Benzothiazol, Isoxazol-5(4H)-one, Thioeteher}, issn = {1054-2523}, doi = {10.1007/s00044-019-02420-7}, author = {Chavan, Abhijit P. and Deshpande, Rujuta R. and Borade, Nandkumar A. and Shinde, Abhijit and Mhaske, Pravin C. and Sarkar, Dhiman and Bobade, Vivek D.} } @article {46164, title = {Synthesis of ultrathin PEDOT on carbon nanotubes and shear thinning xanthan Gum-H2SO4 gel electrolyte for supercapacitors}, journal = {ChemElectroChem}, volume = {6}, year = {2019}, month = {MAR }, pages = {1861-1869}, type = {Article}, abstract = {
Resistance of the electrode material play a vital role for applications in supercapacitors, where lowering the resistance leads to improved performance. Poly(3,4-ethylene dioxythiophene) (PEDOT) possesses high theoretical conductivity; however, the high density of grain boundaries, low accessible surface area, and low rate capability have been pervasive issues affecting the PEDOT-based supercapacitors. To this end, a hydrothermal method is proposed in this work where oxygen functional groups incorporated on the surface of carbon nanotubes (CNTs) are utilized to polymerize 3,4-ethylenedioxythiophene (EDOT). PEDOT forms an ultrathin, well-aligned coating on the surface of CNTs. This arrangement minimizes the number of grain boundaries and increases the electrochemically active surface area. Additionally, a shear-thinning Xanthan gum-H2SO4 gel electrolyte is introduced to overcome the low impregnation of the conventional polyvinyl-based electrolyte due to the hydrophobicity of the CNT-PEDOT composite. A supercapacitor based on this material showed a very low Equivalent Series Resistance (ESR) of 0.31 which leads to a high power density of 74 W cm(-3).
}, keywords = {gel electrolyte, PEDOT, shear thinning, supercapacitor, xanthan gum}, issn = {2196-0216}, doi = {10.1002/celc.201801780}, author = {Soni, Roby and Bhange, Siddheshwar N. and Athira, E. and Chetry, Rashmi and Kurungot, Sreekumar} } @article {46175, title = {Targeted phenotypic screening in plasmodium falciparum and toxoplasma gondii reveals novel modes of action of medicines for malaria venture malaria box molecules (vol 3, e00534-17, 2018)}, journal = {MSphere}, volume = {4}, year = {2019}, month = {APR}, pages = {e00159-19}, type = {Correction}, issn = {2379-5042}, doi = {10.1128/mSphere.00159-19}, author = {Subramanian, Gowtham and Belekar, Meenakshi A. and Shukla, Anurag and Tong, Jie Xin and Sinha, Ameya and Chu, Trang T. T. and Kulkarni, Akshay S. and Preiser, Peter R. and Reddy, D. Srinivasa and Tan, Kevin S. W. and Shanmugam, Dhanasekaran and Chandramohanadas, Rajesh} } @article {46116, title = {Taxonomic insights into the phylogeny of Bacillus badius and proposal for its reclassification to the genus Pseudobacillus as Pseudobacillus badius comb. nov. and reclassification of Bacillus wudalianchiensis Liu et al.}, journal = {Systematic and Applied Microbiology}, volume = {42}, year = {2019}, month = {MAY}, pages = {360-372}, type = {Article}, abstract = {
The species Bacillus badius is one of the oldest members of the genus Bacillus isolated from faeces of children and was classified based on its ability to form endospores [8]. In 16S rRNA gene sequence and phylogenetic analysis, Bacillus badius DSM 23(T) shared low similarity (93.0\%) and distant relationship with B. subtilis, the type species of the genus Bacillus indicating that it does not belong to this genus. Additional strains of the species, B. badius DSM 5610, DSM 30822 and B. encimensis SGD-V-25 (which has been recently reclassified as a member of this species) were included in the study to consider intraspecies diversity. Detailed molecular phylogenetic and comparative genome analysis clearly showed that the strains of B. badius were consistently retrieved outside the cluster of Bacillus sensu stricto and also distantly related to the genera Domibacillus and Quasibacillus. Further, the data from biochemical reactions (inability to ferment most carbohydrates), polar lipids profile (presence of diphosphatidylglycerol, phosphatidylglycerol, phosphatidylethanolamine and an aminophosphoglycolipid) and fatty acids supported the molecular analysis. Thus the four B. badius strains; DSM 23(T), DSM 5610, DSM 30822 and SGD-V-25 displayed sufficient demarcating phenotypic characteristics that warrant their classification as members of a novel genus and single species, for which the name Pseudobacillus badius gen. nov. comb. nov. is proposed with Pseudobacillus badius DSM 23(T) (= ATCC 14574(T)) as the type strain. Additionally, based on our findings from phenotypic, chemotaxonomic and genotypic parameters, Bacillus wudalianchiensis DSM 100757(T) was reclassified as Pseudobacillus wudalianchiensis comb. nov. (C) 2019 Elsevier GmbH. All rights reserved.
}, keywords = {16S rRNA, Bacillus, Bacillus wudalianchiensis, Fatty acids, polar lipids, Pseudobacillus}, issn = {0723-2020}, doi = {10.1016/j.syapm.2019.03.003}, author = {Verma, Ashish and Pal, Yash and Ojha, Anup Kumar and Kumari, Munesh and Khatri, Indu and Rameshkumar, N. and Schumann, Peter and Dastager, Syed G. and Mayilraj, Shanmugam and Subramanian, Srikrishna and Krishnamurthi, Srinivasan} } @article {45605, title = {Telescoped sequence of exothermic and endothermic reactions in multistep flow synthesis}, journal = {Organic Process Research and Development}, year = {2019}, month = {JAN}, pages = {Article ASAP}, type = {Article}, abstract = {A multistep sequential flow synthesis of isopropyl phenol is demonstrated, involving 4-step exothermic, endothermic, and temperature sensitive reactions such as nitration, reduction, diazotization, and high temperature hydrolysis. Nitration of cumene with fuming nitric acid produces 2- and 4-nitrocumene which are converted into respective cumidines by the hydrogenation using Pd/Ni catalyst in H-cube with gravity separation. Hydrolysis of in situ generated diazonium salts in the boiling acidic conditions is carried out using integration of flow and microwave-assisted synthesis. 58\% of 4-isopropyl phenol was obtained. The sequential flow synthesis can be applied to synthesize other organic compounds involving this specific sequence of reactions.}, doi = {10.1021/acs.oprd.8b00008}, author = {Sharma, Y. and Nikam, A. V. and Kulkarni, A. A.} } @article {46244, title = { Temperature-dependent phonon dynamics of supported and suspended monolayer tungsten diselenide }, journal = {AIP Advances}, volume = {9}, year = {2019}, month = {AUG}, type = {Article}, abstract = {
Two-dimensional materials exhibit great potential for high-performance electronics applications and the knowledge of their thermal properties is extremely necessary, since they are closely related to efficient heat dissipation and electron-phonon interactions. In this study we report the temperature-dependence of the out-of-plane A(1g) Raman mode of suspended and supported CVD-grown single-crystalline tungsten diselenide (WSe2) monolayer. The A(1g) phonon wavenumber is linearly red-shifted for temperature ranging from 98 to 513 K, with first-order temperature coefficients beta of -0.0044 and -0.0064 cm(-1)/K for suspended and supported monolayer WSe2, respectively. The higher beta module value for supported sample is attributed to the increase of the phonon anharmonicity due to the phonon scattering with the surface roughness of the substrate. Our analysis of the temperature-dependent phonon dynamics reveal the influence of the substrate on thermal properties of monolayer WSe2 and provide fundamental information for developing of atomically-thin 2D materials devices. (C) 2019 Author(s).
}, doi = {10.1063/1.5118004}, author = {Carvalho, Thais C. V. and Araujo, Francisco D. V. and dos Santos, Clenilton Costa and Alencar, Luciana M. R. and Ribeiro-Soares, Jenaina and Late, Dattatray J. and Lobo, Anderson Oliveira and Souza Filho, Antonio Gomes and Alencar, Rafael S. and Viana, Bartolomeu C.} } @article {46185, title = {Temperature-dependent photoluminescence and energy-transfer dynamics in Mn2+-doped (C4H9NH3)(2)PbBr4 two-dimensional (2D) layered perovskite}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {FEB}, pages = {4739-4748}, type = {Article}, abstract = {
Reported here are the low-temperature photoluminescence (PL), energy-transfer mechanism, and exciton dynamics of Mn2+-doped two-dimensional (2D) perovskites that show interesting differences from their three-dimensionally doped counterpart. Dopant emission in 2D system shows increased PL intensity and shortened lifetime with increase of temperature and strong dopant emission even at low temperatures. Transient absorption (TA) spectroscopy reveals the dominant role of {\textquoteleft}{\textquoteleft}hot{\textquoteright}{\textquoteright} excitons in dictating the fast energy-transfer timescale. The operative dynamics of the generated hot excitons include filling up of existing trap states (shallow and deep) and energy-transfer channel from hot excitons to dopant states. Global analysis and target modeling of TA data provide an estimate of excitons (hot and band edge) to a dopant energy-transfer timescale of similar to 330 ps, which is much faster than the band edge exciton lifetime (similar to 2 ns). Such fast energy-transfer timescale arises due to enhanced carrier exchange interaction resulting from higher exciton confinement, increased covalency, and involvement of hot excitons in the 2D perovskites. In stark contrast to three-dimensional systems, the high energy-transfer rate in 2D system results in high dopant emission intensity even at low temperatures. Increased intrinsic vibronic coupling at higher temperatures further supports efficient Mn2+ sensitization that ultimately dictates the observed temperature dependence of the dopant emission (intensity, lifetime).
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.9b00207}, author = {Bakthavatsalam, Rangarajan and Biswas, Anupam and Chakali, Madhu and Bangal, Prakriti Ranjan and Kore, Bhushan P. and Kundu, Janardan} } @article {46198, title = {Temperature-dependent Raman spectroscopy and sensor applications of PtSe2 nanosheets synthesized by wet chemistry}, journal = {Beilstein Journal of Nanotechnology}, volume = {10}, year = {2019}, month = {FEB }, pages = {467-474}, type = {Article}, abstract = {
We report on a wet chemistry method used to grow PtSe2 nanosheets followed by thermal annealing. The SEM and TEM analysis confirms the formation of PtSe2 nanosheets. Furthermore, XRD, Raman, XPS and SAED patterns were used to analyze the crystal structure and to confirm the formation of the PtSe2 phase. The temperature-dependent Raman spectroscopy investigations were carried out on PtSe2 nanosheets deposited on Si substrates in the temperature range 100-506 K. The shifts in Raman active E-g and A(1g) modes as a function of temperature were monitored. The temperature coefficient for both modes was calculated and was found to match well with the reported 2D transition metal dichalcogenides. A PtSe2 nanosheet-based sensor device was tested for its applicability as a humidity sensor and photodetector. The humidity sensor based on PtSe2 nanosheets showed an excellent recovery time of approximate to 5 s, indicating the great potential of PtSe2 for future sensor devices.
}, keywords = {nanosheets, PtSe2, Raman spectroscopy, Sensor, thermal effect}, issn = {2190-4286}, doi = {10.3762/bjnano.10.46}, author = {Pawar, Mahendra S. and Late, Dattatray J.} } @article {45524, title = {Terpene profiling, transcriptome analysis and characterization of cis{\textendash}terpineol synthase from Ocimum}, journal = {Physiology and Molecular Biology of Plants}, volume = {25}, year = {2019}, month = {JAN}, pages = {47-57}, type = {Article}, abstract = {
Ocimum species produces a varied mix of different metabolites that imparts immense medicinal properties. To explore this chemo-diversity, we initially carried out metabolite profiling of different tissues of five Ocimum species and identified the major terpenes. This analysis broadly classified these five Ocimum species into two distinct chemotypes namely, phenylpropanoid-rich and terpene-rich. In particular, -caryophyllene, myrcene, limonene, camphor, borneol and selinene were major terpenes present in these Ocimum species. Subsequently, transcriptomic analysis of pooled RNA samples from different tissues of Ocimum gratissimum, O. tenuiflorum and O. kilimandscharicum identified 38 unique transcripts of terpene synthase (TPS) gene family. Full-length gene cloning, followed by sequencing and phylogenetic analysis of three TPS transcripts were carried out along with their expression in various tissues. Terpenoid metabolite and expression profiling of candidate TPS genes in various tissues of Ocimum species revealed spatial variances. Further, putative TPS contig 19414 (TPS1) was selected to corroborate its role in terpene biosynthesis. Agrobacterium-mediated transient over-expression assay of TPS1 in the leaves of O. kilimandscharicum and subsequent metabolic and gene expression analyses indicated it as a cis{\textendash}terpineol synthase. Overall, present study provided deeper understanding of terpene diversity in Ocimum species and might help in the enhancement of their terpene content through advanced biotechnological approaches.
}, keywords = {Agro-infiltration assay, Metabolite profiling, Ocimum, Terpene synthase, Terpenes, Transcriptome}, issn = {0971-5894}, doi = {10.1007/s12298-018-0612-6}, author = {Anand, Atul and Jayaramaiah, Ramesha H. and Beedkar, Supriya D. and Dholakia, Bhushan B. and Lavhale, Santosh G. and Punekar, Sachin A. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article {46091, title = {Tf2NH catalyzed 1,6-conjugate addition of 2-hydroxy-p-quinone methides with -functionalized ketones: access to 2,3,4,9-Tetrahydro-1H-xanthenones and 4H-Chromene Derivatives}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {JUN }, pages = {3127-3133}, type = {Article}, abstract = {
A Bronsted acid catalyzed tandem 1,6-conjugate sequential cycloaddition reaction using 2-hydroxy-p-quinone methides and -functionalized ketones is reported. The method allows xanthenones and chromenes to be accessed in moderate to excellent yield with broad substrate scope, which could be further functionalized to give a versatile set of products.
}, keywords = {-Functionalized ketone, 1, 6-Conjugated addition, Bronsted acid, Chromenes, Xanthenones}, issn = {1434-193X}, doi = {10.1002/ejoc.201900370}, author = {Satbhaiya, Shruti and Khonde, Nilesh S. and Rathod, Jayant and Gonnade, Rajesh and Kumar, Pradeep} } @article {45482, title = {Thermally crosslinkable and chemically modifiable aromatic polyesters possessing pendant propargyloxy groups}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {57}, year = {2019}, month = {MAR}, pages = {588-597}, type = {Article}, abstract = {
New aromatic (co)polyesters containing pendant propargyloxy groups were synthesized by phase transfer-catalyzed interfacial polycondensation of 5-(propargyloxy)isophthaloyl chloride (P-IPC) and various compositions of P-IPC and isophthaloyl chloride with bisphenol A. FTIR and NMR spectroscopic data, respectively, revealed successful incorporation of pendant propargyloxy groups into (co)polyesters and formation of (co)polyesters with desired compositions. (Co)polyesters exhibited good solubility in common organic solvents such as chloroform, dichloromethane, and tetrahydrofuran and could be cast into transparent, flexible, and tough films from chloroform solution. Inherent viscosities and number average molecular weights of (co)polyesters were in the range 0.77-1.33 dL/g and 43,600-118,000 g/mol, respectively, indicating the achievement of reasonably high-molecular weights. The 10\% weight loss temperatures of (co)polyesters were in the range 390-420 degrees C, demonstrating their good thermal stability. (Co)polyesters exhibited T-g in the range 146-170 degrees C and T-g values decreased with increase in mol \% incorporation of P-IPC. The study of non-isothermal curing by DSC indicated thermal crosslinking of (co)polyesters via propargyloxy groups. The utility of pendant propargyloxy group was demonstrated by post-modification of the selected copolyester with 1-(4-azidobutyl)pyrene, 9-(azidomethyl)anthracene, and azido-terminated poly(ethyleneglycol) monomethyl ether via copper(I)-catalyzed Huisgen 1,3-dipolar cycloaddition reaction. FTIR and H-1 NMR spectra confirmed that click reaction was quantitative. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 588-597
}, keywords = {Click chemistry, crosslinking, modification, polyesters, propargyloxy, step-growth polymerization}, issn = {0887-624X}, doi = {10.1002/pola.29297}, author = {Verma, Savita and Maher, Deepak M. and Nagane, Samadhan S. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article {45580, title = {Thermodynamic Analysis of EMISE{\textendash} water as a working pair for absorption refrigeration system}, journal = {Applied Thermal Engineering}, volume = {148}, year = {2019}, month = {FEB}, pages = {787-795}, type = {Article}, abstract = {
In this paper, thermodynamic analysis of novel ionic liquid 1 Ethyl-3-methylimidazolium ethyl sulphate (EMISE) as absorbent and water as green refrigerant for absorption refrigeration system (ARS) is performed. Thermodynamics excess properties like excess Gibbs free energy (GE), excess enthalpy (hE) and equilibrium D{\"u}hring{\textquoteright}s plot (P-T-x1) of EMISE-H2O binary mixture are assessed using non-random two liquid (NRTL) activity coefficient model for composition x1 of 0.45{\textendash}1. The performance of single effect ARS with SHE are mathematically modeled and simulated by applying first and second laws (exergy analysis) of thermodynamics. Simulated results of ARS are compared with other widely used working fluids and revealed higher COP of 0.66 for EMISE-H2O in comparison to NH3-H2O but lower than LiBr-H2O. In addition, the deviation in the COP and ECOP with the generator temperatures are compared for the evaporation temperature of 5, 10, 15 {\textdegree}C. Result showed noticeable difference between the optimum generator temperature based on COP and ECOP. This indicates the exergy analysis is used for evaluation of ARS and selection of heat source supply temperature obtained from waste heat and renewable solar energy.
}, doi = {10.1016/j.applthermaleng.2018.11.092}, author = {Takalkar, G. D. and Bhosale, R. R. and Mali, N. A. and Bhagwat, S. S.} } @article {46191, title = {Thermodynamic view of dynamic allostery in a PDZ domain protein}, journal = {Biophysical Journal}, volume = {116}, year = {2019}, month = {FEB }, pages = {163A}, type = {Meeting Abstract}, issn = {0006-3495}, doi = {10.1016/j.bpj.2018.11.905}, author = {Kumawat, Amit and Chakrabarty, Suman} } @article {46016, title = {Thiazolyl-pyrazole derivatives as potential antimycobacterial agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {29}, year = {2019}, month = {MAY}, pages = {1199-1202}, type = {Article}, abstract = {
Mycobacterium tuberculosis (Mtb) is an obligate aerobe that is capable of long-term persistence under conditions of low oxygen tension. A series of thiazolyl-pyrazole derivatives (6a-f, 7a-f, 8c, 8e) were screened for antimycobacterial activity against dormant M. tuberculosis H37Ra (D-MTB) and M. bovis BCG (D-BCG). Nine thiazolyl- pyrazole analogs, 6c, 6e, 7a, 7b, 7c, 7e, 7f, 8c and 8e exhibited promissing minimum inhibitory concentration (MIC) values (0.20-28.25 mu g/mL) against D-MTB and D-BCG strains of Mtb. Importantly, six compounds (7a, 7b, 7e, 7f, 8c and 8e) exhibited excellent antimycobacterial activity and low cytotoxicity at the maximum evaluated concentration of \> 250 mu g/mL. Finally, the promising antimycobacterial activity and lower cytotoxicity profile suggested that, these compounds could be further subjected for optimization and development as a lead, which could have the potential to treat tuberculosis.
}, keywords = {antimycobacterial activity, Cytotoxicity, Pyrazole, thiazoles}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2019.03.020}, author = {Takate, Sushma J. and Shinde, Abhijit D. and Karale, Bhausaheb K. and Akolkar, Hemant and Nawale, Laxman and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {46053, title = {Thiol and halometallate, mutually passivated quantum dot ink for photovoltaic application}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {JUL}, pages = {26100-26108}, type = {Article}, abstract = {
Tunable-band-gap colloidal QDs are a potential building block to harvest the wide-energy solar spectrum. The solution-phase surface passivation with lead halide-based halometallate ligands has remarkably simplified the processing of quantum dots (QDs) and enabled the proficient use of materials for the development of solar cells. It is, however, shown that the hallometalate ligand passivated QD ink allows the formation of thick crystalline shell layer, which limits the carrier transport of the QD solids. Organic thiols have long been used to develop QD solar cells using the solid-state ligand exchange approach. However, their use is limited in solution-phase passivation due to poor dispersity of thiol-treated QDs in common solvents. In this report, a joint passivation strategy using thiol and halometallate ligand is developed to prepare the QD ink. The mutually passivated QDs show a 50\% reduction in shell thickness, reduced trap density, and improved monodispersity in their solid films. These improvements lead to a 4 times increase in carrier mobility and doubling of the diffusion length, which enable the carrier extraction from a much thicker absorbing layer. The photovoltaic devices show a high efficiency of 10.3\% and reduced hysteresis effect. The improvement in surface passivation leads to reduced oxygen doping and improved ambient stability of the solar cells.
}, keywords = {ligand, mobility, quantum dot, solar cell, surface passivation}, issn = {1944-8244}, doi = {10.1021/acsami.9b07605}, author = {Mandal, Debranjan and Goswami, Prasenjit N. and Rath, Arup K.} } @article {47163, title = {Three-dimensional printing with waste high-density polyethylene}, journal = {ACS Applied Polymer Materials}, volume = {1}, year = {2019}, month = {NOV}, pages = {3157-3164}, type = {Article}, abstract = {
Fused filament fabrication (FFF) three-dimensional (3D) printing of semicrystalline polymers such as high density polyethylene (HDPE) is challenging because crystallization-induced shrinkage of the filament, as it cools, results in stresses that warp the printed part and debond it from the print substrate. Here, we demonstrate that waste-derived HDPE can be successfully 3D printed by (i) blending with a small fraction (\<0.5\% by weight) of dimethyl dibenzylidene sorbitol (DMDBS) and (similar to 10\%) linear low density polyethylene (LLDPE) and (ii) printing the object with a thin {\textquoteleft}{\textquoteleft}brim{\textquoteright}{\textquoteright} around it that is adhered to the print substrate using common polyvinyl acetate-based glue. We match our experimental results with FEM simulations that provide insight into the origin of the stresses developed during printing. Because HDPE forms a significant fraction of the plastic waste stream, conversion of waste-derived HDPE to 3D printing filament has important technological implications.
}, keywords = {3d printing polyethylene printing, polymer blend, Recyclability, warpage}, issn = {2637-6105}, doi = {10.1021/acsapm.9b00813}, author = {Gudadhe, Aniket and Bachhar, Nirmalya and Kumar, Anil and Andrade, Prem and Kumaraswamy, Guruswamy} } @article {46081, title = {TiCl4-n-Bu3N-mediated cascade annulation of ketones with alpha-ketoesters: a facile synthesis of highly substituted fused gamma-alkylidene-butenolides}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {JUN}, pages = {5749-5759}, type = {Article}, abstract = {
A facile protocol for the synthesis of highly substituted fused gamma-alkylidene butenolides using direct annulation of ketones with alpha-ketoesters, which proceeds through TiCl4-n-Bu3N mediated aldol addition followed by an intramolecular enol-lactonization/cyclization cascade, is reported. Diverse 6-5, 7-5 and 8-5 fused bicyclic gamma-ylidene butenolides and highly substituted monocyclic analogs related to biologically relevant natural products were prepared from readily accessible ketone and alpha-ketoester building blocks. The highly step-economic cascade nature, good substrate scope, easy access to complex products with good to excellent yields, gram-scalability, demonstration of synthetic utility, and unambiguous structural confirmation through X-ray crystallography analyses and analogy are the salient features of this work.
}, issn = {1477-0520}, doi = {10.1039/c9ob00649d}, author = {Palange, Megha N. and Gonnade, Rajesh G. and Kontham, Ravindar} } @article {45599, title = {Total synthesis of marine natural products serinolamide A and columbamide D}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {1322{\textendash}1328}, type = {Article}, abstract = {
In this report, an expeditious synthesis of two new biologically active marine natural products serinolamide A and columbamide D is documented. This convergent approach involves the key steps such as hydrolytic kinetic resolution, cross metathesis, Grignard reaction, Johnson{\textendash}Claisen rearrangement, Mitsunobu, and so forth. Both of the target molecules were obtained from a common precursor (R)-7 with high enantioselectivity, less synthetic steps, and in good overall yields (serinolamide A 66\% and columbamide D 62\%).
}, doi = {10.1021/acsomega.8b03417}, author = {Ghotekar, G. S. and Mujahid, M. and Muthukrishnan, M.} } @article {46058, title = {Total synthesis of Met(10)-teixobactin}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {JUL }, pages = {1909-1912}, type = {Article}, abstract = {
The total synthesis of cyclic depsipeptide Met(10)-teixobactin in solution-phase is described. Teixobactin is a structurally and mechanistically novel antimicrobial peptidic natural product with very impressive activities against Gram-positive pathogens. It happens to possess an L-allo-enduracididine (End) residue as part of macrocyclic ring which is not readily accessible. In this report, we have used serine ligation strategy as the key step to prepare an analogue of teixobactin where End being replaced with a readily available amino acid methionine. (C) 2019 Elsevier Ltd. All rights reserved.
}, keywords = {antibiotic, Cyclic tetrapeptides, Serine ligation, Teixobactin}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.06.027}, author = {Gunjal, Vidya B. and Reddy, D. Srinivasa} } @article {46115, title = {Total synthesis of (+/-)-quinagolide: a potent D-2 receptor agonist for the treatment of hyperprolactinemia}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {MAY}, pages = {8231-8238}, type = {Article}, abstract = {
A potent dopamine (D-2) receptor agonist (+/-)-quinagolide, which is used for the treatment of hyperprolactinemia, was synthesized using the ring closing metathesis (RCM) approach from meta-hydroxybenzaldehyde as the starting material. The key features of this synthesis are pyrolytic elimination, late-stage expedient synthesis of functionalized trans-fused tetrahydropyridine-3-carboxylates from olefin 6, via conjugate addition-elimination upon acetate 11, followed by RCM and phenyliodine bis(trifluoroacetate) (PIFA)-mediated Hofmann rearrangement of piperidine-3-carboxamide, which enables the synthesis of 3-aminopiperidine skeleton of quinagolide. For the total synthesis of natural products such as ergot alkaloids, late-stage synthesis of functionalized trans-fused tetrahydropyridine-3-carboxylates using RCM and PIFA-mediated Hofmann rearrangement of piperidine-3-carboxamide, which allows quick access to the synthetically challenging 3-aminopiperidine skeleton, are the main achievements of the present work.
}, issn = {2470-1343}, doi = {10.1021/acsomega.9b00903}, author = {Chavan, Subhash P. and Kadam, Appasaheb L. and Kawale, Sanket A.} } @article {45540, title = {Trans-A(2)B(2) Zn(II) porphyrin dyes with various donor groups and their Co-sensitization for highly efficient dye-sensitized solar cells}, journal = {Dyes and Pigments}, volume = {160}, year = {2019}, month = {JAN}, pages = {386-394}, type = {Article}, abstract = {
{We have designed and synthesized four donor-acceptor based trans-A(2)B(2) Zn(II) porphyrin dyes with various donor moieties and phenylcarboxy as acceptor group in three steps. Two strong electron-donating groups (carbazole, phenothiazine, pyrene and bisthiophene) were attached to porphyrin core to enhance the light absorption of dye molecules and phenylcarboxy acted as acceptor group on TiO2 surface. The alkyl chains present in KP-Zn-CBZ and KP-Zn-PTZ dyes are helpful to suppress the aggregation of dyes at the semiconductor surface. The synthetic route of these dyes was facile, high yield and three steps procedure which involved MacDonald condensation followed by hydrolysis and Zn insertion. The absorption and emission bands of all four dyes were broadened and red shifted due to the charge transfer from donor groups to porphyrin moiety. A wide range of power conversion efficiency was shown by dyes and the order of eta was as followed KP-Zn-PTZ (5.48\%) \> KP-Zn-PYR (3.38\%) \> KP-Zn-CBZ (2.64\%) \> KP-Zn-BTP (1.71\%). Co-sensitization of porphyrin dyes with N719 dye promoted the complementary absorption in the visible region and put a restriction on dye aggregation also which improved the cell performance. Co-sensitized KP-Zn-PTZ with N719 dye showed the highest PCE efficiency up to 8.80\% with a J(SC) = 17.4 mA cm(-2)
}, issn = {0143-7208}, doi = {10.1016/j.dyepig.2018.08.029}, author = {Prakash, Kamal and Sudhakar, Vediappan and Sankar, Muniappan and Krishnamoorthy, Kothandam} } @article {46123, title = {Transcriptomics analysis of propiconazole-treated Cochliobolus sativus reveals new putative azole targets in the plant pathogen}, journal = {Functional \& Integrative Genomics}, volume = {19}, year = {2019}, month = {MAY}, pages = {453-465}, type = {Article}, abstract = {
Cochliobolus sativus (anamorph: Bipolaris sorokiniana) is a filamentous fungus from the class Dothideomycetes. It is a pathogen of cereals including wheat and barley, and causes foliar spot blotch, root rot, black point on grains, head blight, leaf blight, and seedling blight diseases. Annual yields of these economically important cereals are severely reduced due to this pathogen attack. Evolution of fungicide resistant pathogen strains, availability of a limited number of potent antifungal compounds, and their efficacy are the acute issues in field management of phytopathogenic fungi. Propiconazole is a widely used azole fungicide to control the disease in fields. The known targets of azoles are the demethylase enzymes involved in ergosterol biosynthesis. Nonetheless, azoles have multiple modes of action, some of which have not been explored yet. Identifying the off-target effects of fungicides by dissecting gene expression profiles in response to them can provide insights into their modes of action and possible mechanisms of fungicide resistance. Moreover it can also reveal additional targets for development of new fungicides. Hence, we analyzed the global gene expression profile of C. sativus on exposure to sub-lethal doses of propiconazole in a time series. The gene expression patterns were confirmed using quantitative reverse transcriptase PCR (qRT-PCR). This study revealed overexpression of target genes from the sterol biosynthesis pathway supporting the reported mode of resistance against azoles. In addition, some new potential targets have also been identified, which could be explored to develop new fungicides and plant protection strategies.
}, keywords = {Bipolaris sorokiniana, Cochliobolus sativus, Fungicide resistance, Propiconazole, RNA-seq, Transcriptomics analysis}, issn = {1438-793X}, doi = {10.1007/s10142-019-00660-9}, author = {Somani, Deepika and Adhav, Ragini and Prashant, Ramya and Kadoo, Narendra Y.} } @article {46195, title = {Transition-metal-free benzannulation of tricarbonyl derivatives with arynes: access to 1,3-dinaphthol precursors for the synthesis of rhodamine dye analogues}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {FEB}, pages = {2269-2276}, type = {Article}, abstract = {
Herein, we report a transition-metal-free annulation reaction of benzynes and 1,3-oxopentanedioate for the synthesis of highly functionalized naphthalene derivatives for the first time. Additionally, the representative naphthalene derivatives have been successfully transformed into the new series of rhodamine dye analogues.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02560}, author = {Ghotekar, Ganesh S. and Shaikh, Aslam C. and Muthukrishnan, M.} } @article {46108, title = {Transition-metal-free glucose-derived carbonaceous catalyst catalyzes direct C-H arylation of unactivated arenes with aryl halides}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {MAY }, pages = {4848-4853}, type = {Article}, abstract = {
Transition metal free coupling reactions have gained lot of importance recently. The traditional method for the synthesis of biaryl{\textquoteright}s uses organometallic reagents for the arylation reactions. There are certain drawbacks associated with such traditional methods. Use of expensive metals, metal impurities in the products formed and disposal of metal waste generated are major problems that need to be taken care of. Thus, research has been focussed on using transition metal free catalyst for cross coupling reactions to encourage green environment and it still remains a challenge for researchers. Carbonaceous catalyst have attracted great attention recently as a heterogeneous catalyst as it has a carbon skeleton that is stable, easily separable, reusable, eco-friendly and highly economical compared to other heterogeneous catalyst. Carbonaceous catalysts have been studied in variety of organic reactions such as hydrolysis, dehydration, esterification, alkylation, condensation, oxathioketalization, dimerization, benzylation and trimethylsilylation, etc. It was estimated that - stacking interactions between carbonaceous catalyst and arenes will accelerate the coupling reaction. However to the best of our knowledge, there are no reports available in literature on use of carbonaceous catalyst for direct arylation of arenes. And thus, we developed a new method for C-H arylation of unactivated arenes with aryl halides using a transition metal free D-glucose derived carbonaceous catalyst.
}, keywords = {Arylation, carbonaceous, glucose, metal-free}, issn = {2365-6549}, doi = {10.1002/slct.201900013}, author = {Jori, Popat K. and Jadhav, Vrushali H.} } @article {45586, title = {Transition-metal-free regioselective one-pot synthesis of aryl sulfones from sodium sulfinates via quinone imine ketal}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {JAN}, pages = {1372{\textendash}1378}, type = {Article}, abstract = {A novel, efficient, and regioselective transition-metal-free one-pot synthesis of aryl sulfones via the reactive quinone imine ketal intermediate is demonstrated using easily accessible bench-stable sulfinate salts. A broad range of functionality on p-anisidine substrates as well as sulfinate salts was tolerated under mild reaction conditions to provide the corresponding aryl sulfones in good to excellent yields.}, doi = {10.1021/acs.joc.8b02835}, author = {Halder, P. and Humne, V. T. and Mhaske, S. B.} } @article {46134, title = {Triazine functionalized porous covalent organic framework for photo-organocatalytic E-Z isomerization of olefins}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {APR }, pages = {6152-6156}, type = {Article}, abstract = {
Visible light-mediated photocatalytic organic transformation has drawn significant attention as an alternative process for replacing thermal reactions. Although precious metal/organic dyes based homogeneous photocatalysts have been developed, their toxic and nonreusable nature makes them inappropriate for large-scale production. Therefore, we have synthesized a triazine and a keto functionalized nonmetal based covalent organic framework (TpTt) for heterogeneous photo catalysis. As the catalyst shows significant absorption of visible light, it has been applied for the photocatalytic uphill conversion of trans-stilbene to cis-stilbene in the presence of blue light-emitting diodes with broad substrate scope via an energy transfer process.
}, issn = {0002-7863}, doi = {10.1021/jacs.9b01891}, author = {Bhadra, Mohitosh and Kandambeth, Sharath and Sahoo, Manoj K. and Addicoat, Matthew and Balaraman, Ekambaram and Banerjee, Rahul} } @article {46243, title = {Two-step sequence of acetalization and hydrogenation for synthesis of diesel fuel additives from furfural and diols.}, journal = {Energy \& Fuels}, volume = {33}, year = {2019}, month = {AUG}, pages = {7466-7472}, type = {Article}, abstract = {
Acetalization of diols with furfural and subsequent hydrogenation of acetal products provided potential fuel additives that could be blended into commercial diesel. Glycerol could be an interesting polyol for acetalization with furfural due to its low cost, and it is produced as a byproduct in very large amount in the process of biodiesel production. In this work, glycerol acetalization with furfural has been selected as a model reaction. Acetalization reaction was performed under neat conditions (solventless) with 1:1 molar ratio of furfural and glycerol at room temperature over various acid catalysts, including homogeneous and heterogeneous acids. Among several catalysts, Zr-Mont, a heterogeneous solid acid having controlled acidity, gave as high as 78\% isolated yield of acetal products. Interestingly, acetal products can be isolated in pure form by performing extraction using cyclohexane that enables selective extraction of product, and unreacted glycerol and furfural were left in aqueous phase, which can be recycled. Further, to make fuel components from isolated acetal product of glycerol and furfural, hydrogenation was performed over a series of supported noble-metal catalysts under low H-2 pressure at room temperature. Among them, 5\% Pd/C showed very high activity for ring hydrogenation that resulted in high yield of hydrogenation products. However, hydrogenated product contains free hydroxyl group that needs to be subsequently etherified or acetylated. Interestingly, etherified derivative was obtained in high yield compared to acetylated derivative. In addition, several other diols were treated with furfural and their products were subsequently hydrogenated over 5\% Pd/C under very low H-2 pressure. The properties of resulting compounds were investigated so as to find most suitable candidates as additives to commercial diesel.
}, doi = {10.1021/acs.energyfuels.9b01640}, author = {Patil, Anil and Shinde, Suhas and Kamble, Sanjay and Rode, Chandrashekhar, V} } @inbook {47482, title = {Ultrasound assisted extraction of the polysaccharide from Tuber aestivum and its in vitro anti-hyperglycemic activity}, booktitle = {Bioactive Carbohydrates and Dietary Fibre}, volume = {20}, year = {2019}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {Tuber aestivum is one of the most popular and delicious truffles in the world economic market and is reported to possess a wide range of biological activities. The total carbohydrate of this truffle constitutes about 5.65\% w/w dry weight basis (dwb). The present work compares the yield of the polysaccharide obtained by conventional hot water extraction followed by alcohol precipitation, and ultrasound assisted extraction using low power 150 W probe sonifier. The parameters of ultrasound assisted extraction (amplitude, extraction time, pH, and liquid-solid ratio) from the fruiting body of T. aestivum were optimized using Taguchi orthogonal array and central composite design. The optimal parameters of extraction were a liquid-solid ratio of 75:1 for 15 min at pH 6.5 at an amplitude of 25\%, which yielded 68.91 {\textpm} 1.54\% w/w dwb polysaccharide. The FTIR and SEM characteristics of the polysaccharides obtained by ultrasonic extraction and conventional hot water extraction were similar. Further, the polysaccharides extracted from T. aestivum demonstrated a significant in vitro anti-hyperglycemic activity.}, doi = {10.1016/j.bcdf.2019.100198}, author = {Mudliyar, Devshri S. and Wallenius, Janne H. and Bedade, Dattatray K. and Singhal, Rekha S. and Madi, Nuri and Shamekh, Salem S.} } @article {45578, title = {Understanding the behavior of mixtures of protic-aprotic and protic-protic ionic liquids: conductivity, viscosity, diffusion coefficient and ionicity}, journal = {Journal of Molecular Liquids}, volume = {276}, year = {2019}, month = {FEB}, pages = {986-994}, type = {Article}, abstract = {We have investigated the physicochemical properties such as electrical conductivity, viscosity and diffusion coefficient for the binary mixtures of protic ionic liquids with aprotic ionic liquids and of protic with protic ionic liquids at 298.15 K. A significant enhancement in the electrical conductivity is observed for the binary mixtures of ionic liquids, as compared to those of the constituent pure ionic liquids and varied with the composition of the mixtures. The viscosity of binary mixtures of protic with aprotic ionic liquids, 1-butyl-3-methylimidazoliumbis(trifluoromethylsulfonyl)imide [bmIm][NTf2], 1-butyl-1-methylpyrrolidiumbis(trifluoromethylsulfonyl)imide [bmPyrr][NTf2] and 1,3-dimethylimidazolium methyl sulfate, [mmIm][CH3SO4] decreases with an increase in the composition of the [HmIm][CH3COO]. On the contrary, the viscosity for binary mixtures of protic with protic ionic liquid, 1-methylpyrrolidium acetate [HmPyrr][CH3COO] and 4-methylmorpholine acetate [HmMorph][CH3COO] increases upon the addition of 1-methylimidazolium acetate [HmIm][CH3COO]. The self diffusion coefficients were determined for all the binary mixtures of ionic liquids by using Pulsed Gradient Spin Echo (PGSE) NMR method. Self diffusion coefficients of [bmIm][NTf2]-[HmIm][CH3COO], [bmPyrr][NTf2]-[HmIm][CH3COO], [mmIm][CH3SO4]-[HmIm][CH3COO] are enhanced, while those of [HmPyrr][CH3COO]-[HmIm][CH3COO] and [HmMorph][CH3COO]-[HmIm][CH3COO] decreases on addition of [HmIm][CH3COO]. This is converse in the case of viscosity. Furthermore, the above correlations were interpreted with the help of NMR spectroscopy on the basis of interactions of ions in the binary mixtures of ionic liquids. Finally, we have quantified the ionicity through the Nernst{\textendash}Einstein equation and have confirmed the validity of the Walden rule for the binary mixture of ionic liquids.}, doi = {10.1016/j.molliq.2018.12.024}, author = {Thawarkar, S. and Khupse, N. D. and Shinde, D. R. and Kumar, A.} } @article {46410, title = {Unusual epimerization in styryllactones: synthesis of (-)-5-hydroxygoniothalamin, (-)-5-acetylgoniothalamin, and O-TBS-goniopypyrone}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {DEC}, pages = {22549-22556}, type = {Article}, abstract = {
(-)-5-Hydroxygoniothalamin, (-)-5-acetylgoniothalamin, and (+)-5-hydroxygoniothalamin, isolated from the Goniothalamus genus, are synthesized from triacetyl-O-D-glucal by employing the Ferrier reaction, Mitsunobu reaction, and Jones oxidation as key steps. The synthetic procedure also yields the epimers of (-)-5-hydroxygoniothalamin and (+)-5-hydroxygoniothalamin employing acid-mediated transition-metal-free epimerization at C-5 of styryllactones. Further studies reveal that the epimerization is facilitated by the phenyl group present on the styryllactones. Also, depending on the dihydroxylation reaction conditions, various analogues of saturated styryllactones are synthesized utilizing oxa-Michael reaction conditions.
}, issn = {2470-1343}, doi = {10.1021/acsomega.9b03263}, author = {Kotammagari, Tharun K. and Paul, Sayantan and Bhattacharya, Asish K.} } @article {45600, title = {Unusual route to synthesize indolizines through a domino SN2/michael addition reaction between 2-mercaptopyridine and nitroallylic acetates}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {JAN}, pages = {765-769}, type = {Article}, abstract = {
A straightforward synthesis of indolizines has been demonstrated from the reaction of 2-mercaptopyridine and nitroallylic acetates in the presence of a base. The products were obtained in good isolated yield under relatively mild reaction conditions. The mechanistic insight of the reaction has been revealed by performing some control experiments demonstrating that the reaction is initiated by a sequential SN2/Michael addition reaction followed by removal of the sulfur moiety.
}, keywords = {domino reactions, Michael addition, nitrogen heterocycles, nucleophilic substitution, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.201801426}, author = {Roy, S.} } @article {46098, title = {Use of Plackett-Burman design for enhanced phytase production by Williopsis saturnus NCIM 3298 for applications in animal feed and ethanol production}, journal = {3 Biotech}, volume = {9}, year = {2019}, month = {JUN}, pages = {237}, type = {Article}, abstract = {
Distiller-dried grain solid (DDGS), a co-product of alcohol production, contains cereal grain residues, proteins, and yeast metabolites, which make it suitable in poultry feeding. However, high phytate content of DDGS limits its applicability in poultry feed. In this study, Plackett-Burman design was used to improve cell-bound phytase production by Williopsis saturnus NCIM 3298, and we achieved an enzyme activity of 269IU/g of dry-wet biomass. The effect of this enhanced phytase-displaying yeast strain on hydrolysis of corn phytate and subsequently on ethanol production and DDGS quality was then investigated. Results of saccharification in the presence of phytase showed that reducing sugar content of liquefied mash increased by 11\%, which subsequently improved the ethanol production by 18\% (w/v) (p\<0.01) compared with the control. Notably, phytase treatment decreased the phytate content of corn by 70\% (p\<0.01) compared with the control, thereby improving the availability of free phosphate in fermentation broth and DDGS. Thus, the results obtained suggest that the addition of W. saturnus NCIM 3298 strain has the potential of providing a new source of phytase that would be useful in the feed and ethanol industries.
}, keywords = {DDGS, Ethanol, Phytase, Plackett-Burman Design, Williopsis saturnus NCIM 3298}, issn = {2190-572X}, doi = {10.1007/s13205-019-1764-y}, author = {Pable, Anupama A. and Shah, Sarah and Kumar, V. Ravi and Khire, Jayant M.} } @article {46293, title = {Using diphenyleneiodonium to induce a viable but non-culturable phenotype in Mycobacterium tuberculosis and its metabolomics analysis}, journal = {Plos One}, volume = {14}, year = {2019}, month = {AUG}, pages = {e0220628}, type = {Article}, abstract = {
Depletion of oxygen levels is a well-accepted model for induction of non-replicating, persistent states in mycobacteria. Increasing the stress levels in mycobacterium bacilli facilitates their entry into a non-cultivable, dormant state. In this study, it was shown that diphenyleneiodonium, an inhibitor of NADH oxidase, induced a viable, but non-culturable state in mycobacteria, having similar features to dormant bacilli, like loss of acid-fastness, upregulation of stress-regulated genes and decreased superoxide levels as compared to actively growing bacilli. Comprehensive, untargeted metabolic profiling also confirmed a decrease in biogenesis of amino acids, NAD, unsaturated fatty acids and nucleotides. Additionally, an increase in the level of lactate, fumarate, succinate and pentose phosphate pathways along with increased mycothiol and sulfate metabolites, similar to dormant bacilli, was observed in the granuloma. These non-cultivable bacilli were resuscitated by supplementation of fetal bovine serum, regaining their culturability in liquid as well as on agar medium. This study focused on the effect of diphenyleneiodonium treatment in causing mycobacteria to rapidly transition from an active state into a viable, but non-cultivable state, and comparing their characteristics with dormant phenotypes.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0220628}, author = {Yeware, Amar and Gample, Suwarna and Agrawal, Sonia and Sarkar, Dhiman} } @article {45627, title = {Utilization of waste biomass for the synthesis of functionalizable support for covalent anchoring of active organo catalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {JAN}, pages = {3018{\textendash}3026}, type = {Article}, abstract = {A single step synthetic procedure for carbon microspheres from agricultural waste residue (sugarcane bagasse) by low-temperature hydrothermal carbonization using oxalic acid as a hydrating/dehydrating agent is developed. The FTIR and XPS spectroscopy analysis indicates the presence of -OH, -COOH, and C=O functional groups on the surfaces of carbon spheres. These functional groups of the carbon spheres were utilized as a novel route to anchor 3-aminopropyl-triethoxysilane and 3-(2-aminoethylamino)propyl)-trimethoxysilane via condensation of triethoxy/trimethoxy silanes for the synthesis of organo base supported on carbon catalysts. The catalytic activity of the obtained supported organo-base catalyst was demonstrated for C{\textendash}C bond forming (Henry) reaction. Among all prepared catalysts, 3-(2-aminoethylaminopropyl)-trimethoxysilane grafted in toluene showed high conversion (up to 100\%) of aldehydes with excellent selectivity toward β-nitrostyrene. The catalyst was reused five times without losing significant activity for the same reaction.}, author = {Doke, D. S. and Advani, J. H. and Naikwadi, D. R. and Gawande, M. B. and Walke, P. and Umbarkar, S. B. and Biradar, A. V.} } @article {46238, title = {Valorization of oceanic waste biomass: a catalytic perspective}, journal = {Chemical Record}, volume = {19}, year = {2019}, month = {SEP}, pages = {1995-2021}, type = {Article}, abstract = {
Efficacious waste utilization is vital in context of sustainability. The past decade has witnessed attempts of usage of land biomass and wastes for various applications, contributing towards a sustainable society. Exploitation of the marine biomass, which does not compete with habitation and food production like land biomass has been largely unnoticed and therefore not being utilized judiciously. Researchers have mainly exploited these resources as functional materials having significant potential applications. However, a catalytic perspective for the valorisation of these polymers arising from oceanic waste widens their scope and ameliorates its use. The objective of the present review is to demonstrate the effectiveness of chitin/chitosan as a catalyst and as a feedstock for deriving important fuels and chemicals. It displays all the reactions heterogeneously catalyzed by them along with the strategic methodology. Their important catalytic organic transformations attempted so far, have also been discussed. The future perspectives are also presented which if inculcated would improve the value addition of the waste, paving a way for greener and imperishable world.
}, doi = {10.1002/tcr.201800195}, author = {Lucas, Nishita and Athawale, Anjali A. and Rode, Chandrashekhar V.} } @article {46230, title = {Vanadium-based highly active and selective catalysts for oxidative dehydrogenation of ethyl lactate to ethyl pyruvate}, journal = {Applied Catalysis A: General}, volume = {587}, year = {2019}, month = {SEP}, type = {Article}, abstract = {
Pyruvates are important intermediates for various bioactive and pharmaceutical molecules. Synthesis of pyruvates is challenging due to low selectivity, as the pyruvates are prone to polymerisation. In the present work, oxidative dehydrogenation of ethyl lactate to ethyl pyruvate was carried out under very mild conditions using vanadium-based homogeneous and heterogeneous catalysts in the presence of aqueous\ t-butyl hydroperoxide as an oxidant. Homogenous vanadium-based catalyst, VO(acac)2\ in acetonitrile solvent, gave excellent conversion (upto 83\%) with 100\% selectivity to ethyl pyruvate at room temperature. However, the heterogeneous catalyst, V2O5\ exhibited very high activity for oxidative dehydrogenation of ethyl lactate only at higher temperature (80 {\textdegree}C). At higher temperature, significant TBHP decomposition was observed if all TBHP was added in one lot. In case of ethyl lactate dehydrogenation using V2O5\ catalyst at 80 {\textdegree}C with two equivalents TBHP, 60\% ethyl lactate conversion with 100\% TBHP conversions were observed after 5 h when all TBHP was added initially in the reaction mixture. However, the ethyl lactate conversion at 80 {\textdegree}C, after 5 h increased to 72\% when the same amount of TBHP was added batch wise over a period of 4 h, indicating improved conversion of TBHP to ethyl pyruvate. The heterogeneous catalyst, V2O5\ exhibited up to 98\% conversion with 100\% ethyl pyruvate selectivity at 80 {\textdegree}C after 10 h with 3 equivalent TBHP added batch wise. The homogeneous catalyst could not be reused while V2O5\ could be successfully recycled five times without catalytic performances loss. Oxidation proceeds by radical mechanism, as proved by experiment with radical scavenger.
}, doi = {10.1016/j.apcata.2019.117246}, author = {Doke, Dhananjay and Khomane, Sonali B. and Pandhare, Swati and Dongare, Mohan K. and Dumeignil, Franck and Umbarkar, Shubhangi} } @article {46102, title = {Visible light mediated, metal and oxidant free highly efficient cross dehydrogenative coupling (CDC) reaction between quinoxalin-2(1H)-ones and ethers}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {MAY}, pages = {7403-7408}, type = {Article}, abstract = {
The efficient and metal free, white light mediated 3C alkylation of quinoxalin-2(1H)-ones via a cross dehydrogenative coupling reaction with cyclic ethers using eosin Y as a photocatalyst is described. This reaction has broad substrate scope and strong functional group tolerance with good to excellent yields.
}, issn = {1144-0546}, doi = {10.1039/c9nj00075e}, author = {Mane, Kishor D. and Kamble, Rohit B. and Suryavanshi, Gurunath} } @article {46265, title = {Visual exploration of microbiome data}, journal = {Journal of Biosciences}, volume = {44}, year = {2019}, type = {Review}, abstract = {
A dramatic increase in large-scale cross-sectional and temporal-level metagenomic experiments has led to an improved understanding of the microbiome and its role in human well-being. Consequently, a plethora of analytical methods has been developed to decipher microbial biomarkers for various diseases, cluster different ecosystems based on microbial content, and infer functional potential of the microbiome as well as analyze its temporal behavior. Development of user-friendly visualization methods and frameworks is necessary to analyze this data and infer taxonomic and functional patterns corresponding to a phenotype. Thus, new methods as well as application of pre-existing ones has gained importance in recent times pertaining to the huge volume of the generated microbiome data. In this reveiw, we present a brief overview of some useful visualization techniques that have significantly enriched microbiome data analytics.
}, doi = {10.1007/s12038-019-9933-z}, author = {Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {47166, title = {Vivo wound healing performance of halloysite clay and gentamicin-incorporated cellulose ether-PVA electrospun nanofiber mats}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {SEP}, pages = {4324{\textendash}4334}, type = {Article}, abstract = {
Wound healing is a dynamic and complex process that requires a suitable environment to enhance the rapid healing process. In this context, fabrications of nanofibrous materials with antibiotic and antibacterial properties are becoming extremely important. In this present work, we report on the fabrication and characterization of electro-spun cellulose ether-PVA nanofiber mats loaded with halloysite clay (HNT) and gentamicin sulfate (GS) for faster wound healing applications. The morphology of nanofiber mats was examined by SEM and TEM. The average diameter of the nanofiber mats were in the range of 325 {\textpm} 30 nm. The physicochemical characterizations were done by FT-IR and XRD, which reveal the presence of HNT and GS into the nanofibers. The incorporation of halloysite gave good mechanical strength to the nanofiber mats. Swelling studies indicated the hydrophilicity of the mats. In vitro studies revealed that HNTs are nontoxic to L929 fibroblast cells and also promote cell growth and proliferation. The antibacterial property of HNT was also studied. The slow release of GS from the nanofiber mats was observed for a period of 18 days. The in vivo wound healing studies on the wistar rats for 21 days revealed the wound healing faster within 2 weeks by the incorporation of HNT and GS into the nanofiber mats and hence these nanofiber mats show great potential in acute and chronic wound healing applications.
}, doi = {10.1021/acsabm.9b00589}, author = {Wali, Ashwini and Gorain, Mahadeo and Inamdar, Satish and Kundu, Gopal and Badiger, Manohar V.} } @article {44433, title = {VSe2-reduced graphene oxide as efficient cathode material for field emission}, journal = {Journal of Physics and Chemistry of Solids }, volume = {128}, year = {2019}, month = {MAY}, pages = {384-390}, type = {Journal Article}, abstract = {
Field emission properties of pristine VSe2 and its hybrid with reduced graphene oxide (RGO) have been investigated in detail. Promising field emission performance were noted with lower values of turn-on and threshold fields of \~{}1.3 V μm-1 and 2.12 V μm-1 respectively for the VSe2/RGO hybrid which is much more superior than that of pristine VSe2 emitter and other 2D materials. Density Functional Theory (DFT) simulations have also been performed to qualitatively support our experimental observations through demonstration of Density of States and computation of work function for pristine VSe2 and hybrid VSe2/RGO. The lowering of work function and appearance of additional states near Fermi level from carbon p orbital of RGO is responsible for superior field emission characteristics in hybrid VSe2/RGO compared to pristine VSe2 which supports our experimental observations. Our experimental data and theoretical insight from electronic structure simulations strongly infer that the synthesized hybrid VSe2/RGO has the potential to be tailored as efficient and high performance cathode material in field emission based devices.
}, keywords = {cathode material, Chalcogenide, Density functional theory, field emission, Vanadium diselenide, Work function}, issn = {223697}, doi = {10.1016/j.jpcs.2018.02.020}, author = {Ratha, S.}, editor = {Bankar, P.} } @article {44557, title = {Waste to wealth: a Case study of papaya peel}, journal = {Waste and Biomass Valorization}, volume = {10}, year = {2019}, month = {JUN}, pages = {1755-1766}, type = {Journal Article}, abstract = {
Papaya is a popular fruit consumed worldwide and well-known for its food and nutritional values. It is used in food industries for the production of jams, jellies, etc. As a result, these industries generate huge amounts of papaya peel (PP) and seeds as by-products, which are typically considered a waste, and thus discarded. However, our current investigation indicates that PP is a valuable source of bioactive compounds, which can be converted into many value-added products. In this article, we review the physicochemical composition and valorization of PP. PP can be utilized to obtain many value-added products by fermentation (e.g., biofuels, adsorbents, dietary fibers, biomedicine, biomaterials). The biorefinery approach for PP will definitely increase the value of this waste by producing an array of value-added products and achieving zero waste generation.
}, keywords = {Bioactive compounds, Biorefinery, Papaya peel, Valorization, Value-added products}, issn = {18772641}, doi = {10.1007/s12649-017-0181-x}, author = {Pathak, Pranav D.}, editor = {Mandavgane, Sachin A.} } @article {46431, title = {Water-assisted stability of carbene: cyclic voltammetric investigation of 1-ethyl-3-methylimidazolium ethylsulfate ionic liquid}, journal = {Physical Chemistry Chemical Physics}, volume = {21}, year = {2019}, month = {NOV }, pages = {24126-24131}, type = {Article}, abstract = {
In this work, we report electrochemical studies on imidazolium-based ionic liquids with an objective to explore the possibility of carbene formation in their dilute aqueous solutions. Conventionally, water plays a detrimental role during investigations involving ionic liquids, and this role has been investigated via electrochemical studies in aqueous ionic liquid solutions. There are varying opinions regarding the influence of water on the physicochemical behaviour of ionic liquids that require an in-depth understanding. To eludicate the role of water, we attempted to evaluate the electrochemical performance of ionic liquids in water as a solvent, and the influence of water on ionic liquids was explored through feasibility and stability studies on carbene formed in an aqueous imidazolium-based ionic liquid solution. The electrochemical investigation of an aqueous solution of 1-ethyl-3-methylimidazolium ethylsulfate ([EMIM][EtSO4]) revealed a redox couple. Detailed investigations suggest that reduction of the imidazolium cation occurs at the C2 position, with subsequent formation of carbene. Furthermore, an anodic peak was found to be associated with the oxidation of carbene. The coulometric process associated with the anodic peaks indicated that the two-electron oxidation of carbene occurred. The stability of carbene in water was evaluated through the use of different protic and aprotic solvents. The hydrogen bond-forming ability of carbene with water seems to be responsible for its improved stability in water.
}, issn = {1463-9076}, doi = {10.1039/c9cp05033g}, author = {Jain, Preeti and Chaudhari, Vijay R. and Kumar, Anil} } @article {46340, title = {Water-promoted surface basicity in FeO(OH) for the synthesis of pseudoionones (PS) and their analogues}, journal = {Journal of Catalysis}, volume = {378}, year = {2019}, month = {OCT}, pages = {80-89}, type = {Article}, abstract = {
Use of Iron oxyhydroxide (gamma-FeO(OH)) as a robust catalyst for the synthesis of important intermediates like pseudoionones and their analogues through the C-C bond formation reactions like knoevenagel and aldol condensation is explored. These motifs are the building blocks for the construction of the sesquiterpenes as well as the diterpenes such as retinoic acid, Vitamin A etc. Iron oxyhydroxide (gamma-FeO(OH)) was synthesized and well characterized using XRD, FT-IR, TEM, XPS and adsorption studies to establish the catalytic activity. A thorough investigation on the nature of basic sites and the role of water as a promoter was explored based on dye adsorption, in situ methanol dissociation and CO2 adsorption studies. The catalyst also showed a wide range of substrate scope with active methylene groups involving various functional groups such as cyanides, esters and acetophenones along with its stability and reproducibility. (C) 2019 Elsevier Inc. All rights reserved.
}, keywords = {Bronsted basicity, Iron (III) oxyhydroxide, Knoevenagel condensation, Pseudoionones, Surface hydroxyl groups}, issn = {0021-9517}, doi = {10.1016/j.jcat.2019.08.026}, author = {Vernekar, Dnyanesh and Sakate, Sachin S. and Rode, Chandrashekhar V. and Jagadeesan, Dinesh} } @article {46231, title = {Weak intermolecular interactions in covalent organic framework-carbon nanofiber based crystalline yet flexible devices}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {AUG}, type = {Article}, abstract = {
The redox-active and porous structural backbone of covalent organic frameworks (COFs) can facilitate high-performance electrochemical energy storage devices. However, the utilities of such 2D materials as supercapacitor electrodes in advanced self-charging power-pack systems have been obstructed due to the poor electrical conductivity and subsequent indigent performance. Herein, we report an effective strategy to enhance the electrical conductivity of COF thin sheets through the in situ solid-state inclusion of carbon nanofibers (CNF) into the COF precursor matrix. The obtained COF-CNF hybrids possess a significant intermolecular π{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}π interaction between COF and the graphene layers of the CNF. As a result, these COF-CNF hybrids (DqTp-CNF and DqDaTp-CNF) exhibit good electrical conductivity (0.25 {\texttimes} 10{\textendash}3\ S cm{\textendash}1), as well as high performance in electrochemical energy storage (DqTp-CNF: 464 mF cm{\textendash}2\ at 0.25 mA cm{\textendash}2). Also, the fabricated, mechanically strong quasi-solid-state supercapacitor (DqDaTp-CNF SC) delivered an ultrahigh device capacitance of 167 mF cm{\textendash}2\ at 0.5 mA cm{\textendash}2. Furthermore, we integrated a monolithic photovoltaic self-charging power pack by assembling DqDaTp-CNF SC with a perovskite solar cell. The fabricated self-charging power pack delivered excellent performance in the areal capacitance (42 mF cm{\textendash}2) at 0.25 mA cm{\textendash}2\ after photocharging for 300 s.
}, doi = {10.1021/acsami.9b08625}, author = {Mohammed, Abdul Khayum and Vijayakumar, Vidyanand and Halder, Arjun and Ghosh, Meena and Addicoat, Matthew and Bansode, Umesh and Kurungot, Sreekumar and Banerjee, Rahul} } @article {46188, title = {Web-gLV: a web based platform for lotka-volterra based modeling and simulation of microbial populations}, journal = {Frontiers in Microbiology}, volume = {10}, year = {2019}, month = {FEB }, pages = {288}, type = {Article}, abstract = {
The affordability of high throughput DNA sequencing has allowed us to explore the dynamics of microbial populations in various ecosystems. Mathematical modeling and simulation of such microbiome time series data can help in getting better understanding of bacterial communities. In this paper; we present Web-gLV- a GUI based interactive platform for generalized Lotka-Volterra (gLV) based modeling and simulation of microbial populations. The tool can be used to generate the mathematical models with automatic estimation of parameters and use them to predict future trajectories using numerical simulations. We also demonstrate the utility of our tool on few publicly available datasets. The case studies demonstrate the ease with which the current tool can be used by biologists to model bacterial populations and simulate their dynamics to get biological insights. We expect Web-gLV to be a valuable contribution in the field of ecological modeling and metagenomic systems biology.
}, keywords = {lotka-volterra, microbial population, Microbiome, Modeling, numerical-simulation, time-series, visualization, web-server}, issn = {1664-302X}, doi = {10.3389/fmicb.2019.00288}, author = {Kuntal, Bhusan K. and Gadgil, Chetan and Mande, Sharmila S.} } @article {45510, title = {What news in the surface chemistry of bulk and supported vanadia based SCR-catalysts: improvements in their resistance to poisoning and thermal sintering}, journal = {Chemical Record}, volume = {19}, year = {2019}, month = {OCT}, pages = {1813-1828}, type = {Article}, abstract = {
This paper reports a short review on the impact of poisoning effects and thermal aging on the reactivity of surface vanadate species on benchmark V2O5-WO3/TiO2 Selective-Catalytic-Reduction catalysts. A renewed interest of this SCR technology is related to its diversification notably as after-treatment systems to treat the exhaust from Diesel engines with higher running temperature especially when SCR catalysts are coated on Diesel Particulates Filters. Particular attention is also paid to poisoning effects in conjunction with the progressive replacement of fossil fuels by bio-fuels containing alkaline contaminants which drastically deactivate the catalyst through neutralization of strong acid sites. Most of the investigations show that better insight into the mechanisms of poisoning and aging processes is needed especially to understand the relative sensibility of various vanadate species. This could provide original guidelines to catalyst preparation and or the developments of more stable bulk systems as exemplified.
}, doi = {10.1002/tcr.201800092}, author = {Granger, P. and Siaka, H.W. and Umbarkar, S.B.} } @article {46325, title = {Whole proteome analysis of GA(3) response at panicle stage in Grape (Vitis vinifera) CV. Thompson seedless}, journal = {Journal of Plant Growth Regulation}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {
Rachis elongation is a crucial process in producing good quality table grapes. In compact clustered grape variety like Thompson Seedless, treating the flower panicles with a mild dose of GA(3) results in loose clusters. We sprayed GA(3) on Thompson Seedless panicles immediately after emergence, and the samples were collected at 6 h and 24 h after application. Whole proteome analysis revealed significant differential expression of 530 proteins of the total 1288 expressed proteins at two time-points. GO term enrichment analysis revealed enrichment of GO terms related to translation, biosynthetic processes, and photosynthesis in GA(3)-treated samples. As the process of rachis elongation requires enhanced carbon metabolism and accumulation of sugars through the expansion of phloem area, we attribute this to the overexpression of several proteins involved in these processes. Significantly highly expressed proteins also belonged to biological processes like the generation of precursor metabolites, cellular protein metabolic processes, response to abiotic stimulus, and protein metabolic processes. This study might be the first of its kind in deciphering the contribution of a different group of proteins during rachis elongation as an early response to GA(3) application in seedless grapes. These results provide quality information on various physiological and biochemical changes occurring during early stages of rachis elongation.
}, keywords = {Bunch architecture, Gibberellic acid, Proteome, Rachis elongation, Vitis vinifera}, issn = {0721-7595}, doi = {10.1007/s00344-019-10041-y}, author = {Maske, Smita and Upadhyay, Anuradha and Jogaiha, Satisha and Patil, Sucheta S. and Kadoo, Narendra Y. and Gupta, Vidya S.} } @article {46189, title = {Why the thin film form of a photocatalyst is better than the particulate form for direct solar-to-hydrogen conversion: a poor man{\textquoteright}s approach}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {FEB}, pages = {6094-6100}, type = {Article}, abstract = {
We demonstrated an easy method to improve the efficiency of photocatalysts by an order of magnitude by maximizing light absorption and charge carrier diffusion. Degussa titania (P25) and Pd/P25 composite photocatalyst thin films coated over regular glass plates were prepared and evaluated for solar hydrogen production in direct sunlight with aqueous methanol. It is worth noting that only UV light present in direct sunlight (similar to 4\%) was absorbed by the catalysts. The hydrogen production activities of catalysts were compared for thin film and particulate forms at 1 and 25 mg levels. The hydrogen yield values suggested that 1 mg thin film form of Pd/P25 provided 11-12 times higher activity than 25 mg powder form. Comparable light absorption throughout the entire thickness of photocatalyst device and better contact of nanostructures that enabled the charge diffusion and charge utilization at redox sites are the reasons for high efficiency. While solar cells require charge carriers to diffuse through long distances of microns, they are utilized locally in an ensemble of particles (of nanometres) for hydrogen generation in photocatalyst thin films; this concept was used effectively in the present work.
}, issn = {2046-2069}, doi = {10.1039/c8ra09982k}, author = {Nalajala, Naresh and Patra, Kshirodra Kumar and Bharad, Pradnya A. and Gopinath, Chinnakonda S.} } @article {45484, title = {Zebrafish acid ceramidase: expression in Pichia pastoris GS115and biochemical characterization}, journal = {International Journal of Biological Macromolecules}, volume = {122}, year = {2019}, month = {FEB}, pages = {587-593}, type = {Article}, abstract = {
Acid ceramidase (N-acylsphingosine deacylase EC 3.5.1.23; AC) catalyzes the hydrolysis of ceramide into sphingosine (SPH) and free fatty acid. Zebrafish acid ceramidase (AC) has 60\% homology with the human AC). Mutations in the human AC gene asah1 are known to cause Farber disease and spinal muscular atrophy with progressive myoclonic epilepsy. Zebrafish AC was overexpressed in Pichia pastoris by inserting asah1b gene into the genome. The majority of the overexpressed enzyme was secreted into the culture medium and purified to apparent homogeneity by stepwise chromatography. The recombinant protein was glycosylated precursor, that further undergoes limited autoproteolytic processing into two subunits (alpha and beta) which are visible in SDS-PAGE. The zebrafish AC is heterodimer associated with an inter-subunit disulfide bond. SDS-PAGE estimated the mass of native enzyme to be approximately 50 kDa \& size exclusion chromatography estimated the mass of the active enzyme as approximately 100 kDa, suggesting the formation of a dimer of heterodimers. The protein was secreted as a mixture of processed and unprocessed forms in the culture media. A preliminary characterization of purified zebrafish AC was done by an enzyme assay. The zebrafish AC expressed in Pichia pastoris would be used for further structural and functional analysis. (C) 2018 Elsevier B.V. All rights reserved.
}, keywords = {Autoproteolytic processing, Pichia pastoris, Zebrafish acid ceramidase}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2018.10.222}, author = {Rajput, Vijay B. and Karthikeyan, Muthukumarasamy and Ramasamy, Sureshkumar} } @article {46233, title = {Zinc ion interactions in a two-dimensional covalent organic framework based aqueous zinc ion battery}, journal = {Chemical Science}, year = {2019}, month = {AUG}, type = {Article}, abstract = {
The two-dimensional structural features of covalent organic frameworks (COFs) can promote the electrochemical storage of cations like H+, Li+, and Na+\ through both faradaic and non-faradaic processes. However, the electrochemical storage of cations like Zn2+\ ion is still unexplored although it bears a promising divalent charge. Herein, for the first time, we have utilized hydroquinone linked β-ketoenamine COF acting as a Zn2+\ anchor in an aqueous rechargeable zinc ion battery. The charge-storage mechanism comprises of an efficient reversible interlayer interaction of Zn2+\ ions with the functional moieties in the adjacent layers of COF (-182.0 kcal mol-1). Notably, due to the well-defined nanopores and structural organization, a constructed full cell, displays a discharge capacity as high as 276 mA h g-1\ at a current rate of 125 mA g-1.
}, doi = {10.1039/C9SC03052B}, author = {Mohammed, Abdul Khayum and Ghosh, Meena and Vijayakumar, Vidyanand and Halder, Arjun and Nurhuda, Maryam and Kumar, Sushil and Addicoat, Matthew and Kurungot, Sreekumar and Banerjee, Rahul} } @article {46865, title = {1,6-Conjugate addition initiated formal [4+2] annulation of p-quinone methides with sulfonyl allenols: a unique access to spiro[5.5]undeca-1,4-dien-3-one scaffolds}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {MAY }, pages = {5022-5025}, type = {Article}, abstract = {
An expedient one-pot synthesis of carbocyclic spiro[5.5]undeca-1,4-dien-3-ones via 1,6-conjugate addition initiated formal [4+2] annulation sequences by employing p-quinone methides and sulfonyl allenols is presented. Furthermore, this synthetic protocol tolerates a wide variety of p-quinone methides and sulfonyl allenols and affords the corresponding structurally unique spiro[5.5]undeca-1,4-dien-3-ones in good yield under mild reaction conditions.
}, issn = {1359-7345}, doi = {10.1039/d0cc01005g}, author = {Ghotekar, Ganesh S. and Shirsath, Sachin R. and Shaikh, Aslam C. and Muthukrishnan, M.} } @inbook {47147, title = {2,5-Diformylfuran{\textemdash}an oxidation product of 5-hydroxymethylfurfural}, booktitle = {2,5-Diformylfuran{\textemdash}an oxidation product of 5-hydroxymethylfurfural}, number = {Biomass, Biofuels, Biochemicals Recent Advances in Development of Platform Chemicals}, year = {2020}, pages = {95-133}, abstract = {
In the current scenario of depleting fossil-derived resources, biomass is considered a potential feedstock for sustainable energy supply and production of alternative chemicals. Among them, 2,5-diformylfuran (DFF) is one of the most important chemicals having widespread potential applications. DFF is produced from bioderived resources through the catalytic oxidation process. In this chapter, catalytic routes for the production of DFF starting from biomass-derived furan derivatives and sugars (e.g., mono/polysaccharides) are discussed in detail. Comprehensive emphasis is given to the catalysts (e.g., homogeneous and heterogeneous) and enzymes used for the transformation of various bioderived sources into DFF. Moreover, a brief look has also been given at the transformations and applications of DFF.
}, keywords = {2, 5-Diformylfuran, 5-Hydroxymethylfurfural Biomass, Catalysis Chemicals, Oxidation Sugars}, doi = {10.1016/B978-0-444-64307-0.00004-4}, author = {Shinde, Suhas Hanmant and Rode, Chandrashekhar Vasant} } @article {46907, title = {2-D to 3-D conversion of WO3 nanostructures using structure directing agent for enhanced NO2 gas sensing performance}, journal = {Sensors and Actuators A-Physical}, volume = {304}, year = {2020}, month = {APR }, pages = {111882}, type = {Article}, abstract = {
An exotic 3-D tungsten oxide (WO3) microflower was synthesized via low-cost and environmental-friendly hydrothermal strategy. The effect of structure-directing agent on the formation of 3-D microflowers from a 2-D nanosheets of WO3 and its gas sensing behavior are investigated. The assynthesized WO3 powder was used in morphological, structural and phase studies by X-ray diffraction (XRD), scanning electron microscopy (SEM), FT-Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). The WO3 samples were found to be polycrystalline with monoclinic crystal structure. The SEM micrographs revealed the formation of 3-D microflowers made up of two-dimensional (2-D) multi-directional dendritic nanoplates. The potassium hydroxide (KOH) acts as a structure-directing agent in the formation of 3-D microflowers of WO3 sample. To further understand the formation of 3-D microflowers of WO3 sample, concentration-dependent experiments were carried out by varying KOH concentration and the formation mechanism was investigated. The synthesized WO3 microstructures were subjected to detailed gas sensing tests for different gases at an optimized temperature. A selective, sensitive gas response was obtained for WO3 gas sensor. The lower detection limit is about 1 ppm at 150 degrees C working temperature for an optimized WO3 gas sensor. The gas sensing results indicate that the 3-D microflower-like WO3 nanostructures are highly promising for applications as gas sensors. (C) 2020 Published by Elsevier B.V.
}, keywords = {Microflowers, NO2 detection, WO3}, issn = {0924-4247}, doi = {10.1016/j.sna.2020.111882}, author = {Beknalkar, S. A. and Patil, V. L. and Harale, N. S. and Suryawanshi, M. P. and Patil, A. P. and Patil, V. B. and Kim, J. H. and Patil, P. S.} } @article {47290, title = {3 d transition metal-catalyzed hydrogenation of nitriles and alkynes}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {MAR}, pages = {690-708}, type = {Review}, abstract = {
Selective hydrogenation of nitriles and alkynes is crucial considering the vast applications of reduced products in industries and in the synthesis of bioactive compounds. Particularly, the late 3d transition metal catalysts (manganese, iron, cobalt, nickel and copper) have shown promising activity for the hydrogenation of nitriles to primary amines, secondary amines and imines. Similarly, semihydrogenation of alkynes to E- and Z-alkenes by 3d metals is adequately successful both via the transfer hydrogenation and by using molecular hydrogen. The emergence of 3d transition metals in the selective synthesis of industrially relevant amines, imines and alkenes makes this protocol more attractive. Herein, we provide a concise overview on the late 3d transition metal-catalyzed hydrogenation of nitriles to amines and imines as well as semihydrogenation of alkynes to alkenes.
}, keywords = {3d transition metal, Alkynes, Hydrogenation, nitriles, Semihydrogenation}, issn = {1861-4728}, doi = {10.1002/asia.201901762, Early Access Date = FEB 2020}, author = {Sharma, Dipesh M. and Punji, Benudhar} } @article {46764, title = {3D printing of semicrystalline polypropylene: towards eliminating warpage of printed objects}, journal = {Bulletin of Materials Science}, volume = {43}, year = {2020}, month = {JUL}, pages = {171}, type = {Article}, abstract = {
Fused filament fabrication (FFF) is an extrusion-based 3D printing technique for thermoplastic polymers. In this technique, molten polymer is extruded through a print nozzle and is laid down layer by layer to build up the printed object. Currently, FFF is used primarily to print amorphous or low-crystallinity polymers, such as acrylonitrile butadiene styrene copolymer (ABS) or polylactic acid (PLA). Printing of semicrystalline polymers, such as polyethylene or polypropylene remains particularly challenging. During FFF of semicrystalline polymers, large thermomechanical stresses are generated when the polymer solidifies on cooling. These stresses result in warpage of the printed part. Here, we analyse the factors that influence stresses generated during FFF 3D printing of a commercial semicrystalline polymer, isotactic polypropylene. We investigate the effect of height of the printed object on part warpage, as well the effect of infilling during printing. We demonstrate that the stresses generated during FFF can be substantially decreased by incorporation of a {\textquoteleft}brim{\textquoteright}, viz. a thin layer at the base of the printed object, and by adhering the brim to the print substrate using common polyvinyl acetate-based glue. We systematically investigate the effect of the brim size on the warpage of the printed object. We support our experimental findings with finite element method (FEM) simulations that explain the mechanism of stress buildup during printing. The trend in stresses calculated in the FEM simulations parallel the warpage measured in the experiments. Thus, this work represents an important methodological advance towards warpage-free FFF printing of semicrystalline polymers.
}, keywords = {3D printing, polypropylene printing, warpage}, issn = {0250-4707}, doi = {10.1007/s12034-020-02097-4}, author = {Bachhar, Nirmalya and Gudadhe, Aniket and Kumar, Anil and Andrade, Prem and Kumaraswamy, Guruswamy} } @article {46942, title = {6 alpha-Hydroxy-4[14], 10[15]-guainadien-8 beta, 12-olide induced cell cycle arrest via modulation of EMT and Wnt/beta-catenin pathway in HER-2 positive breast cancer cells}, journal = {Journal of Steroid Biochemistry and Molecular Biology}, volume = {197}, year = {2020}, month = {MAR}, pages = {105514}, type = {Article}, abstract = {
Cyathocline purpurea has potential biological activities and has been widely used in traditional Chinese and Ayurvedic medicine. The aim of the present study is to elucidate the anticancer effect of its 6 alpha-hydroxy-4[14], 10 [15]-guainadien-8 beta, 12-olide (SRCP1) against HER-2 positive subtype of breast carcinoma. Anticancer effect of SRCP1 was assessed by cell viability, senescence, apoptosis, cell cycle, DNA synthesis, and gene expression assays. The activity was further validated by the molecular docking study. SRCP1 inhibits human HER-2 positive breast cancer growth via inhibition of DNA synthesis in a dose-dependent manner. SRCP1 induces cell cycle arrest at G(2)/M phase, late apoptosis, and necrosis. Further, it induces senescence causing reduction in migration via down-regulation of EMT. A remarkable increase in the number of necrotic cells and Annexin-V staining revealed that exposure to SRCP1 triggers late apoptosis. Treatment with SRCP1 increased E-cadherin, p21, p53, ER-alpha expression and decreased beta-catenin, MMP-9, snaill, TNF-alpha expression. SRCP1 showed binding affinity towards an active site of the HER-2 receptor. Our results of molecular docking and biological assays demonstrated the potent anticancer activity of SRCP1 in MDA-MB-453 cells via multiple pathways including EMT, TNF-alpha, and Wnt/beta-catenin signaling.
}, keywords = {Anticancer, beta-Catenin, EMT, Guaianolide, HER-2 inhibitor}, issn = {0960-0760}, doi = {10.1016/j.jsbmb.2019.105514}, author = {Javir, Gitanjali and Joshi, Kalpana and Khedkar, Vijay and Rojatkar, Supada} } @article {46680, title = {Access to diverse germylenes and a six-membered dialane with a flexible beta-diketiminate}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {OCT}, pages = {11871-11874}, type = {Article}, abstract = {
A nacnac-based tridentate ligand containing a picolyl group (L) was employed to isolate chlorogermylene (1). The reaction of1with another equivalent of GeCl2 center dot dioxane surprisingly gave pyridylpyrrolide-based chlorogermylene (2)viaC-N bond cleavage and C-C coupling, while with AlCl3, it afforded a transmetalated product,4. The reaction of L with AlH3 center dot NMe2Et led to an unusual cyclohexane type six-membered dialane heterocycle (5).
}, issn = {1359-7345}, doi = {10.1039/d0cc05202g}, author = {Pahar, Sanjukta and Swamy, V. S. V. S. N. and Das, Tamal and Gonnade, Rajesh G. and Vanka, Kumar and Sen, Sakya S.} } @article {46646, title = {Actin-mediated microglial chemotaxis via G-protein coupled purinergic receptor in alzheimer{\textquoteright}s disease}, journal = {Neuroscience}, volume = {448}, year = {2020}, month = {NOV }, pages = {325-336}, type = {Review}, abstract = {
Alzheimer{\textquoteright}s disease (AD) is a neurodegenerative disease mainly associated with aging, oxidative stress and genetic mutations. There are two pathological proteins involved in AD; Amyloid-beta peptide and microtubule-associated protein Tau (MAPT). The beta- and gamma-secretase enzyme cleaves the Amyloid precursor protein, which results in the formation of extracellular plaques in brain. While, Tau undergoes hyperphosphorylation and other post-translational modifications (PTMs), which eventually generates Tau oligomers, and intracellular neurofibrillary tangles (NFTs) in neurons. Moreover, the brain-resident glia and infiltrated macrophages elevate the level of CNS inflammation, which trigger the oxidative damage of neuronal circuits by reactive oxygen species (ROS) and Nitric oxide (NO). Microglia is the primary immune cell in the CNS, which is continuously surveilling the neuronal synapses and pathogen invasion. Microglia in the resting state is called {\textquoteleft}Ramified{\textquoteright}, which possess long surveilling extensions with a small cell body. But, upon activation, microglia retracts the cellular extensions and transform into round migratory cells, called as {\textquoteleft}Amoeboid{\textquoteright} state. Activated microglia undergoes actin remodeling by forming lamellipodia and filopodia, which directs the migratory axis while podosomes formed are involved in extracellular matrix degradation for invasion. Protein-aggregates in malfunctioning synapses and in CNS milieu can be detected by microglia, which results in its activation and migration. Subsequently, the phagocytosis of synapses leads to the inflammatory burst and memory loss. The extracellular nucleotides released from damaged neurons and the cytokine-chemokine gradients allow the neighboring microglia and macrophages to migrate-infiltrate at the site of neuronal-damage. The ionotropic (P2XR) and metabotropic (P2YR) purinergic receptor recognize extracellular ATP/ADP, which propagates through the intracellular calcium signaling, chemotaxis, phagocytosis and inflammation. The P2Y receptors give {\textquoteleft}find me{\textquoteright} or {\textquoteleft}eat me{\textquoteright} signals to microglia to either migrate or phagocytose cellular debris. Further, the actin cytoskeleton helps microglia to mediate directed chemotaxis and neuronal repair during neurodegeneration. Hence, we aim to emphasize the connection between purinergic signaling and actin-driven mechanical movements of microglia for migration and inflammation in AD. (C) 2020 IBRO. Published by Elsevier Ltd. All rights reserved.
}, keywords = {actin remodeling, Alzheimer{\textquoteright}s disease, microglia, P2Y signaling, purinergic GPCRs, Tauopathy}, issn = {0306-4522}, doi = {10.1016/j.neuroscience.2020.09.024}, author = {Das, Rashmi and Chinnathambi, Subashchandrabose} } @article {47142, title = {Adsorption of heavy metal on active carbon derived from coconut leaves agro-waste}, journal = {Chemistry \& Chemical Technology}, volume = {14}, year = {2020}, month = {JAN}, pages = {553-562}, type = {Article}, abstract = {
In this paper activated carbon is prepared from coconut leaves by chemical activation during slow pyrolysis at 673 K in an inert atmosphere. Activated carbon is prepared in the stiochiometric ratio of 1:1 (CL1), 2:1 (CL2) and 3:1 (CL3). Optimized 3:1 ratio is preferable for further study. BET surface area of CL3 activated carbon was found 1060.57 m2/g. It is greater than those of CL1 and CL2. The batch sorption study experiments were conducted with respect to solute concentration of 2.5{\textendash}122.8 mg/l and solution temperature of 313{\textendash}343 K. The Langmuir, Freundlich and Temkin isotherm studies were conducted. The experimental data fitted very well for the pseudo-first order and pseudo-second-order. The results have established good potentiality for the CL3 activated carbon to be used as a sorbent for the removal of lead from wastewater.
}, doi = {10.23939/chcht14.04.553}, author = {Jadhav, Abhijit and Mohanraj, Govindaraj and Mayadevi, Suseeladevi and Gokarn, Ashok} } @inbook {47322, title = {Advanced heterogeneous catalysts volume 1: applications at the nano-scale}, volume = {1359}, year = {2020}, publisher = {American Chemical Society}, organization = {American Chemical Society}, doi = {10.1021/bk-2020-1359}, author = {Sudarsanam, Putla and Singh, Lakhveer} } @inbook {47324, title = {Advanced heterogeneous catalysts volume 2: applications at the single-atom scale}, volume = {1360}, year = {2020}, publisher = {American Chemical Society}, organization = {American Chemical Society}, doi = {10.1021/bk-2020-1360}, author = {Sudarsanam, Putla and Singh, Lakhveer} } @inbook {47323, title = {Advances in single-atom catalysts for lignin conversion}, booktitle = {Advanced Heterogeneous Catalysts Volume 2: Applications at the Single-Atom Scale }, volume = {1360}, year = {2020}, pages = {93-125}, publisher = {ACS }, organization = {ACS }, abstract = {
Single-atom catalysts (SACs) have drawn significant attention as promising surfaces for promoting observable reaction processes. As a guideline, SACs should have the proper nanoscale dimensionality to influence their effective and efficient performance, especially during lignin conversion to platform chemicals and other useful products. The development of SACs for functional applications still has many difficulties, such as harnessing and improving low-coordinated metal atoms to have controlled and observable activities per metal atom. Consequently, the need arises to ensure a decrease in the size of the metal particles and their uniform dispersion or coordination on a suitable support material. This has been an industrial target for a long time in the field of catalysis. Supported metal-based catalysts are not dimensionally uniform, thereby reducing their metal-atom efficiency and frequently leading to undesired side reactions that are sometimes difficult to observe. This makes the identification of the active sites responsible for the reaction of interest very difficult or even impossible. To ameliorate this challenge, the ultimate small-size limit for a metal particle is the SAC, which contains isolated metal atoms singly dispersed on any suitable support materials. It is expected that SACs should maximize the metal-atom efficiency with respect to the application, which is particularly significant for supported metal catalysts. Moreover, through uniform single-atom dispersion, SACs offer a great opportunity for achieving high activity and tuning selectivity to the desired product. This chapter provides a comprehensive overview of recent advances in using SACs for the conversion of lignin or lignin model compounds. The different support materials used for SACs, such as zeolites, metal oxides, and carbonaceous and siliceous materials, are discussed. This contribution also covers the catalytic reactions of lignin with an emphasis on cleaving its specific linkages, along with a systematic evaluation of SACs used in the relevant processes. The chapter also addressed key parameters essential for tailoring the particle size and acid{\textendash}base and redox properties of the SACs used in lignin conversion. Special attention is paid to understanding the role of synthesis conditions in tailoring the size of SACs. It is expected that this contribution will provide future directions for practical SAC development and implementation in lignin conversion.
}, doi = {10.1021/bk-2020-1360.ch005}, author = {Halilu, Ahmed and Umar, Ahmad Abulfathi and Balarabe, Yahaya Umar and Haniffa, Mhd. Abd. Cader Mhd. and Munawar, Khadija and Sunku, Kiran and Sudarsanam, Putla} } @article {46800, title = {Agro-waste extracted cellulose supported silver phosphate nanostructures as a green photocatalyst for improved photodegradation of RhB dye and industrial fertilizer effluents}, journal = {Nanoscale Advances}, volume = {2}, year = {2020}, month = {JUL }, pages = {2870-2884}, type = {Article}, abstract = {
The efficiency and reusability of photocatalysts are the dominant factors for their pragmatic use. The visible light induced semiconductor silver phosphate is a superior photocatalyst effective under visible light but its stability is still an undiscussed issue. To overcome this stability issue in this present manuscript, eco-friendly agro-waste extracted cellulose supported silver phosphate nanostructures have been designed for the first time through a simple chemical process. At first, silver phosphate nanostructures were synthesized by the co-precipitation method. Then, different weights of cellulose were added to the silver nitrate solution to form cellulose supported silver phosphate nanostructures. The photodegradation efficiency for each weight ratio was examined in which the photocatalyst Ag-8 nanostructures showed a high rate (0.024 min(-1)) for degradation of Rhodamine B (RhB) using a low intensity tungsten bulb. Real sample analysis has also been carried out using this photocatalyst for the degradation of industrial fertilizer effluents. The degradation rate of all the nanostructures was found to be high in comparison to pristine silver phosphate as well as the extracted bare cellulose. The photocatalytic activity is enhanced because of the participation of cellulose as a support which makes an interface for silver phosphate and assists it in delaying the charge recombination period under visible light. To understand the photochemical reaction of electrons and holes, scavenger studies were also performed.
}, issn = {2516-0230}, doi = {10.1039/dOna00181c}, author = {Dwivedi, Pravin K. and Nair, Aathira and Mehare, Rupali S. and Chaturvedi, Vikash and Joshi, Kavita and Shelke, V. Manjusha} } @article {46750, title = {AIE emission of SDS capped diphenylanthracene nanoparticles for selective recognition and estimation of Al(3+)ion in aqueous medium based on enhancement effect and analytical application}, journal = {Macromolecular Symposia}, volume = {392}, year = {2020}, month = {AUG}, pages = {2000082}, type = {Proceedings Paper}, abstract = {
The sodium dodecyl sulfate capped 9,10 Diphenylanthracene nanoparticles is prepared by using reprecipitation method. The average particle size of NPs obtained from DLS examination is 67 nm. The aqueous suspension of NPs exhibits red shifted aggregation induces enhanced emission. The zeta potential value-42.9 mV indicates stability of NPs and generation of expected negative surface charge over the NPs to attract and adsorb cations from the solution on the surface. The cation recognition test based on fluorescence shows that the presence of Al(3+)ion significantly enhances the fluorescence of NPs. Furthermore, the proposed system is successfully applied for the detection of Al(3+)ion from environmental water samples and Digene table available in the market. The advantage of developed analytical method is lower value of LOD and even in presence of interfering ion Mg(2+)the Al(3+)is estimated with no need of their separation prior to analysis.
}, keywords = {10-Diphenyl anthracene nanoparticles, aggregation induced enhanced emission, Al(3+)detection, fluorescence enhancement, SDS capped 9}, issn = {1022-1360}, doi = {10.1002/masy.202000082}, author = {Suryawanshi, Sonali B. and Deshmukh, Gunvant R. and Bodake, Anita J. and Patil, Shivajirao R.} } @article {46998, title = {Alkyl-group-wrapped unsymmetrical squaraine dyes for dye-sensitized solar cells: branched alkyl chains modulate the aggregation of dyes and charge recombination processes}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {JAN}, pages = {2555-2565}, type = {Article}, abstract = {
Electron transfer processes at the interfaces dictate the factors that improve the photovoltaic parameters, such as open-circuit voltage (V-oc) and short-circuit current (J(sc)), of a dye-sensitized solar cell device, besides selection of a set of suitable anode, dye, electrolyte, and cathode materials. An inefficient charge injection process at the dye-TiO2 interface and charge recombination at the TiO2-dye/electrolyte interface have detrimental effects on improving both J(sc) and V-oc. Hence, tailoring the factors that govern the improvement of J(sc) and V-oc will be an ideal approach to get the desired sensitizers with good device efficiencies. Squaraines are far-red-active zwitterionic dyes and have a high molar extinction coefficient along with unique aggregation properties due to the large dipole moment associated with them. Here, we report a series of unsymmetrical squaraine dyes, SQS1 to SQS6, with systematic variation of alkyl groups at the sp(3)-C and N-atoms of the indoline unit that is away from the anchoring group to control the dye-dye interactions on the TiO2 surface. The branched alkyl groups help in modulating the self-assembly of sensitizers on the TiO2 surface, besides passivating the surface that helps avoid the charge recombination processes. Light harvesting efficiency and cyclic voltammetry studies of dye-sensitized TiO2 electrodes indicate that the aggregation and charge hopping process between the dye molecules can be modulated, respectively, by systematically increasing the number of carbon atoms in the alkyl groups. Such a variation in the branched alkyl group helps enhance V-oc from 672 (SQS1) to 718 mV (SQS6) and J(sc) from 7.95 (SQS1) to 12.22 mA/cm(2) (SQS6), with the device efficiency ranging from 3.82\% to 6.23\% without any coadsorbent. Dye SQS4 achieves the highest efficiency of 7.1\% (V-oc = 715 mV, J(sc) = 13.05 mA/cm(2)) with coadsorbent chenodeoxycholic acid (CDCA) using an iodine (I-/I-3(-)) electrolyte compared to its analogues. An analysis of the incident photon-to-current efficiency profiles indicates that the major contribution to photocurrent generation is from the aggregated squaraine dyes on TiO2.
}, keywords = {aggregation of dye, charge injection, charge recombination, Dye-sensitized solar cells, unsymmetrical squaraines}, issn = {1944-8244}, doi = {10.1021/acsami.9b19809}, author = {Singh, Ambarish Kumar and Kavungathodi, Munavvar Fairoos Mele and Nithyanandhan, Jayaraj} } @article {46832, title = {Alpha-Angelica lactone catalyzed oxidation of benzylic sp(3) C-H bonds of isochromans and phthalans}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {JUN }, pages = {4046-4050}, type = {Article}, abstract = {
A metal-free organocatalytic system has been developed for highly efficient benzylic C-H oxygenations of cyclic ethers using oxygen as an oxidant. This oxidation reaction utilizes alpha-angelica lactone as a low cost/low molecular weight catalyst. The optimized reaction conditions allow the synthesis of valued isocoumarins and phthalides from readily available precursors in good yields. Mechanistic studies indicate that the reaction pathway likely involves a radical process via a peroxide intermediate.
}, issn = {1477-0520}, doi = {10.1039/d0ob00729c}, author = {Thatikonda, Thanusha and Deepake, Siddharth K. and Kumar, Pawan and Das, Utpal} } @article {46716, title = {Amidinato germylene-zinc complexes: synthesis, bonding, and reactivity}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {OCT }, pages = {3116-3121}, type = {Article}, abstract = {
Despite the explosive growth of germylene compounds as ligands in transition metal complexes, there is a modicum of precedence for the germylene zinc complexes. In this work, the synthesis and characterization of new germylene zinc complexes [PhC(NtBu)(2)Ge{N(SiMe3)(2)}-\> ZnX2](2)(X= Br (2) and I (3)) supported by (benz)-amidinato germylene ligands are reported. The solid-state structures of2and3have been validated by single-crystal X-ray diffraction studies, which revealed the dimeric nature of the complexes, with distorted tetrahedral geometries around the Ge and Zn center. DFT calculations reveal that the Ge-Zn bonds in2and3are dative in nature. The reaction of2with elemental sulfur resulted in the first structurally characterized germathione stabilized ZnBr(2)complexes PhC(NtBu)(2)Ge(=S){N(SiMe3)(2)}-\> ZnBr2(5). Therefore, the Ge=S in5is in-between Ge-S single and Ge=S double bond length, owing to the coordination of a sulfur lone pair of electrons to ZnBr2.
}, keywords = {DFT, Germathione, Germylene, X-ray Structure, zinc}, issn = {1861-4728}, doi = {10.1002/asia.202000807, Early Access Date = SEP 2020}, author = {Yadav, Sandeep and Kumar, Rohit and Raj, K. Vipin and Yadav, Prashant and Vanka, Kumar and Sen, Sakya S.} } @article {46961, title = {Amine decorated polystyrene nanobeads incorporating pi-conjugated OPV chromophore for picric acid sensing in water}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {FEB }, pages = {6497-6502}, type = {Article}, abstract = {
A solution as well as solid state based sensor has been developed for selective detection of picric acid (PA) in water. Oligo (p-phenylenevinylene) (OPV) incorporated polystyrene nanobeads (PS-OPV-NH2) having an average size of 180 nm have been synthesized through miniemulsion polymerization. Amine (-NH2) functionalization was performed on the nanobead surface to enhance the efficiency of the sensor among a library of other nitro-organics and library of cations and anions.
}, doi = {10.1039/c9ra09852f}, author = {Makkad, Sarabjot Kaur} } @article {46629, title = {Amphiphilic mannose-6-phosphate glycopolypeptide-based bioactive and responsive self-assembled nanostructures for controlled and targeted lysosomal cargo delivery}, journal = {Biomaterials Science}, volume = {8}, year = {2020}, month = {NOV }, pages = {6322-6336}, type = {Article}, abstract = {
Receptors of carbohydrate mannose-6-phosphate (M6P) are overexpressed in specific cancer cells (such as breast cancer) and are also involved in the trafficking of mannose-6-phosphate labeled proteins exclusively onto lysosomes via cell surface M6P receptor (CI-MPR) mediated endocytosis. Herein, for the first time, mannose-6-phosphate glycopolypeptide ((M6P)GP)-based bioactive and stimuli-responsive nanocarriers are reported. They are selectively taken up via receptor-mediated endocytosis, and trafficked to lysosomes where they are subsequently degraded by pH or enzymes, leading to the release of the cargo inside the lysosomes. Two different amphiphilic M6P block copolymers (M6P)GP(15)-(PPO44)-P-A and (M6P)GP(15)-(PCL25)(2) were synthesized by click reaction of the alkyne end-functionalized (M6P)GP(15) with pH-responsive biocompatible azide end-functionalized acetal PPO and azide end-functionalized branched PCL, respectively. In water, the amphiphilic M6P-glycopolypeptide block copolymers self-assembled into micellar nanostructures, as was evidenced by DLS, TEM, AFM, and fluorescence spectroscopy techniques. These micellar systems were competent to encapsulate the hydrophobic dye rhodamine-B-octadecyl ester, which was used as the model drug. They were stable at physiological pH but were found to disassemble at acidic pH (for (M6P)GP(15)-(PPO44)-P-A) or in the presence of esterase (for (M6P)GP(15)-(PCL25)(2)). These (M6P)GP based micellar nanoparticles can selectively target lysosomes in cancerous cells such as MCF-7 and MDA-MB-231. Finally, we demonstrate the clathrin-mediated endocytic pathway of the native FL-(M6P)GP polymer and RBOE loaded (M6P)GP micellar-nanocarriers, and selective trafficking of MCF-7 and MDA-MB-231 breast cancer cell lysosomes, demonstrating their potential applicability toward receptor-mediated lysosomal cargo delivery.
}, issn = {2047-4830}, doi = {10.1039/d0bm01469a}, author = {Mondal, Basudeb and Pandey, Bhawana and Parekh, Nimisha and Panda, Sidharth and Dutta, Tahiti and Padhy, Abinash and Sen Gupta, Sayam} } @article {46717, title = {Analysis and artificial neural network prediction of melting properties and ideal mole fraction solubility of cocrystals}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {SEP }, pages = {5745-5759}, type = {Article}, abstract = {
Different artificial neural network (ANN) models have been developed and examined for prediction of cocrystal properties based on pure component physical properties only. From the molecular weight, melting temperature, melting enthalpy, and melting entropy of the pure compounds, the corresponding melting properties of the cocrystals and the cocrystal ideal solubility have been successfully predicted. Notably, no information whatsoever about the cocrystals is needed, besides the identification of the two compounds from which the cocrystal is formed. In total, 30 cocrystal systems of 8 different model components, namely, theophylline, piracetam, gabapentin-lactam, tegafur, nicotinamide, salicylic acid, syringic acid, and 4,4{\textquoteright}-bipyridine, with distinct coformers have been chosen as the model systems for the construction of ANN models. In all the cases, 70\% of the data points have been used to train the model, and the rest were used to test the capability of the model (as a validation set) as selected through a random selection process. The training process was stopped with overall r(2) values above 0.986. In particular, the models capture how the coformer structure influences the targeted physical properties of cocrystals.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.0c00182}, author = {Gamidi, Rama Krishna and Rasmuson, Ake C.} } @article {46796, title = {Anthrone-spirolactam and quinoline hybrid based sensor for selective fluorescent detection of Fe(3+)ions}, volume = {34}, year = {2020}, month = {OCT}, pages = {e5867}, type = {Article}, abstract = {
The synthesis of a novel, and highly selective Fe(3+)ion sensor based on anthrone-spirolactam and its quinoline hybrid ligand is reported. The designed ligand displayed selective detection of Fe(3+)ions with enhanced fluorescence emission. The complexation of Fe(3+)ion led to a red shift of 32 nm from 420 nm to 452 nm, and a several fold increase in intensity with fluorescent green emission. The complexation (detection) of Fe(3+)ions with ligand resulted in chelation enhanced fluorescence and intramolecular charge transfer through the inhibition of C=N isomerization. This hybrid sensor shows high sensitivity and selectivity, spontaneous response, and works on a wide pH range a minimum detection limit of 6.83 x 10(-8)M. Importantly, the sensor works through the fluorescence turn-on mechanism that overcomes the paramagnetic effect of Fe(3+)ions. The binding mechanism between the ligand and the Fe(3+)ions was established from the Job{\textquoteright}s plot method, optical studies, Fourier transfor infrared spectroscopy, NMR titration, fluorescence life-time studies, and density functional theory optimization. The sensor displayed excellent results in the quantification of Fe(3+)ions from real water samples. Furthermore, due to its biocompatibility nature, fluorescent spotting of Fe(3+)ions in live cells revealed its bioimaging applications.
}, keywords = {anthrone-spirolactam-quinoline, Cell imaging, fluorescence, intramolecular charge transfer, iron}, issn = {0268-2605}, doi = {10.1002/aoc.5867, Early Access Date = JUL 2020}, author = {Darole, Ratanamala S. and Christopher Leslee, Denzil Britto and Mukherjee, Anagh and Gonnade, Rajesh G. and Karuppannan, Sekar and Senthilkumar, Beeran} } @article {46752, title = {Antibacterial properties of glycosylated surfaces: variation of the glucosidal moiety and fatty acid conformation of grafted microbial glycolipids}, journal = {Molecular Systems Design \& Engineering}, volume = {5}, year = {2020}, month = {AUG}, pages = {1307-1316}, type = {Article}, abstract = {
Glycosylated surfaces can display antimicrobial properties. It has been shown that sophorolipids can be used to develop biocidal coatings against Gram-positive and Gram-negative bacteria, but with a limited efficiency so far. Therefore, it appears necessary to further investigate the surface antibacterial activity of a broader set of structurally related glycolipids. The present work explores the influence of the glucosidic moiety (gluco-, sophoro-, cellobio-) and the fatty acid backbone (saturated,cisortransmonounsaturated). We show that the fatty acid backbone plays an important role:cisderivative of sophorolipids (SL) grafted onto model gold surfaces has better biocidal properties than saturated (SL0) andtransmonounsaturated (SLt) molecules, which appear to be inefficient. The number of glucose units is also a key factor: a one-third decrease in antibacterial activity is observed when having one glucose unit (GL) compared to two (SL). Sugar acetylation (SLa) does not seem to have an impact on the biocidal properties of surfaces. These results are not limited to sophorolipids, with cellobioselipids (CL) leading to similar antibacterial observations.
}, issn = {2058-9689}, doi = {10.1039/d0me00059k}, author = {Valotteau, Claire and Roelants, Sophie L. K. V. and Dhasaiyan, Prabhu and Zibek, Susanne and Guenther, Michael and Soetaert, Wim and Everaert, Bernd and Pradier, Claire-Marie and Babonneau, Florence and Baccile, Niki and Humblot, Vincent} } @article {47015, title = {Anticancer activity of lectins from bauhinia purpurea and wisteria floribunda on breast cancer MCF-7 cell lines}, journal = {Protein and Peptide Letters}, volume = {27}, year = {2020}, month = {JAN}, pages = {870-877}, type = {Article}, abstract = {
Background: Individual and collaborative efforts are being made worldwide in search of effective chemical or natural drugs with less severe side-effects for treatment of cancer. Due to the specificity and selectivity properties of lectins for saccharides, several plant lectins are known to induce cytotoxicity into tumor cells. Objective: To study the antiproliferative activity of two N-acetyl galactosamine specific plant lectins from seeds of Bauhinia purpurea and Wisteria floribunda against MCF-7 Breast cancer cell lines. Methods: MTT, lactate dehydrogenase (LDH) leakage, reactive oxygen species (ROS), and caspase-3 assays and flow cytometry for cell cycle analysis were performed. Results: The agglutinins BPL and WFL; 446 mu gml(-1) (2.2 mu M) and 329 mu gml(-1) (2.8 mu M), respectively caused remarkable concentration-dependent antiproliferative effect on MCF-7. The effect was seen to be a consequence of binding of the lectin to the cell surface and triggering S and G2 phase arrest. Apoptosis induced was found to be associated with LDH leakage, cell cycle arrest and ROS generation. The apoptotic signal was observed to be amplified by activation of caspase-3 resulting in cell death. Conclusion: The study provides a base for detailed investigation and further use of lectins in cancer studies.
}, keywords = {anti-cancer, antiproliferative, Apoptosis, caspase-3, cell cycle arrest, Lectins, MCF-7, reactive oxygen species}, issn = {0929-8665}, doi = {10.2174/0929866527666200408143614}, author = {Agrawal, Sanskruthi B. and Gupta, Neha and Bhagyawant, Sameer S. and Gaikwad, Sushama M.} } @article {46617, title = {Anticancer potential of AgNPs synthesized using acinetobacter sp. and curcuma aromatica against HeLa cell lines: a comparative study}, journal = {Journal of Trace Elements in Medicine and Biology}, volume = {62}, year = {2020}, month = {DEC}, pages = {126630}, type = {Article}, abstract = {
Background: Biogenic nanoparticles are gaining attention due to their low toxicity and numerous biomedical applications. Present study aimed to compare the potential anticancer activity of two biogenic silver nanoparticles (bAgNPs and pAgNPs) against human cervical cancer cell lines (HeLa). Methods: bAgNPs were synthesized using Acinetobacter sp. whereas pAgNPs were synthesized using aqueous root extract of Curcuma aromatica. Effect of these nanoparticles on HeLa cells viability was studied using MTT assay and colony formation assay. Anticancer potential was determined using fluorescence microscopy and flow cytometry studies. Bio-compatibility studies were performed against peripheral blood mononuclear cells (PBMCs). Results: Both the nanoparticles showed 50 \% viability of peripheral blood mononuclear cells (PBMCs) when used at high concentration (200 mu g/mL). IC50 for bAgNPs and pAgNPs against HeLa cells were 17.4 and 14 mu g/mL respectively. Colony formation ability of Hela cells was reduced on treatment with both nanoparticles. Acridine orange and ethidium bromide staining demonstrated that bAgNPs were cytostatic whereas pAgNPs were apoptotic. JC-1 dye staining revealed that the mitochondrial membrane potential was affected on treatment with pAgNPs while it remained unchanged on bAgNPs treatment. Flow cytometry confirmed cell cycle arrest in HeLa cells on treatment with nanoparticles further leading to apoptosis in case of pAgNPs. About 77 and 58 \% HeLa cells were found in subG1 phase on treatment with bAgNPs and pAgNPs respectively. bAgNPs showed cytostatic effect on HeLa cells arresting the cell growth in subG1 phase, whereas, pAgNPs triggered death of HeLa cells through mitochondrial membrane potential impairment and apoptosis. Conclusion: Overall, bAgNPs and pAgNPs could be safe and showed potential to be used as anticancer nanoantibiotics against human cervical cancer cells.
}, keywords = {Acinetobacter sp., AgNPs, Anticancer, Curcuma aromatica, HeLa cells, PBMCs}, issn = {0946-672X}, doi = {10.1016/j.jtemb.2020.126630}, author = {Nadhe, Shradhda B. and Tawre, Madhumita S. and Agrawal, Sonia and Chopade, Balu A. and Sarkar, Dhiman and Pardesi, Karishma} } @article {47014, title = {Antidiabetic activity of dihydropyrimidine scaffolds and structural insight by single crystal x-ray studies}, journal = {Medicinal Chemistry}, volume = {16}, year = {2020}, month = {JAN}, pages = {996-1003}, type = {Article}, abstract = {
Background: This research project is designed to identify the anti-diabetic effects of the newly synthesized compounds to conclude the perspective of consuming one or more of these new synthetic compounds for diabetes management. Introduction: A series of dihydropyrimidine (DHPM) derivative bearing electron releasing and electron-withdrawing substituent{\textquoteright}s on phenyl ring (a-j) were synthesized and screened for antihyperglycemic(anti-diabetic) activity on streptozotocin (STZ) induced diabetic rat model. The newly synthesized compounds were characterized by using FT-IR, melting point, H-1 and C-13 NMR analysis. The crystal structure and supramolecular features were analyzed through single-crystal X-ray study. Anti-diabetic activity testing of newly prepared DHPM scaffolds was mainly based on their relative substituent on the phenyl ring along with urea and thiourea. Among the synthesized DHPM scaffold, the test compound c having chlorine group on phenyl ring at the ortho position to the hydropyrimidine ring with urea and methyl acetoacetate derivative shows moderate lowering of glucose level. However, the title compounds methyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimi dine-5-carboxylate(g) and ethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydroprimidine- 5-carboxylate(h) having methoxy and ethoxy substituents on phenyl ring show significant hypoglycemic activity compared to the remaining compounds from the Scheme 1. Methods: The experimental rat models for the study were divided into 13 groups (n = 10); group 1 animals were treated with 0.5\% CMC (0.5mL) (vehicle); group 2 were considered the streptozotocin (STZ)/nicotinamide diabetic control group (DC) and untreated, group 3 diabetic animals were administered with gliclazide 50 mg/kg and act as a reference drug group. The remaining groups of the diabetic animals were administered with the newly synthesized dihydropyrimidine compounds in a single dose of 50 mg/kg orally using the oral gavage, daily for 7 days continuously. The blood glucose level was measured before and 72 hrs after nicotinamide-STZ injection, for confirmation of hyperglycemia and type 2 diabetes development. Results: Blood glucose levels were significantly (p\<0.05) reduced after treatment with these derivatives. The mean percentage reduction for gliclazide was 50\%, while that of synthesized compounds were approximately 36\%. Conclusion: Our result suggests that the synthesized new DEEM derivative containing alkoxy group on the phenyl ring shows a significant lowering of glucose level compared to other derivatives.
}, keywords = {anti-Diabetic, blood glucose levels, dihydropyrimidine, hypoglycemic activity, Streptozotocin, type 2 diabetes mellitus}, issn = {1573-4064}, doi = {10.2174/1573406416666191227123048}, author = {Bairagi, Keshab M. and Younis, Nancy S. and Emeka, Promise M. and Sangtani, Ekta and Gonnade, Rajesh G. and Venugopala, Katharigatta N. and Alwassil, I. Osama and Khalil, Hany E. and Nayak, Susanta K.} } @article {46902, title = {Antimicrobial profiling of coral reef and sponge associated bacteria from southeast coast of India}, volume = {141}, year = {2020}, month = {APR}, pages = {103972}, type = {Article}, abstract = {
Culturable bacteria associated with marine sponges and coral mucus (collected from Gulf of Mannar and Palk Bay) were screened for their prospective antimicrobial compounds against 9 bacterial pathogens (Bacillus megaterium, B. cereus, Salmonella typhimurium, Staphylococcus aureus, Proteus vulgaris, Klebsillla pneumoniae, Escherichia coli, Pseudomonas aeruginosa and Acinetobacter baumannii) and a fungal pathogen (Candida albicans). Of the 263 bacterial isolates obtained during this study, 52 isolates displayed antimicrobial activity against one or more pathogens. 16S rRNA gene sequencing revealed that these 52 strains affiliated to 14 genera from three phyla Proteobacteria, Firmicutes and Actinobacteria. Sponge associated bacterial strains F-04, 1-23, 1-33 and G-03 inhibited the growth of all the bacterial pathogens tested in this study and significantly the former 2 strains inhibited the growth of fungal pathogen also. Majority of the potential strains (88.4\% out of 52 strains) inhibited the growth of Bacillus cereus. Interestingly, an actinomycete strain F-04 (isolated from sponge Orina sagittaria) inhibited the growth of methicillin resistant Staphylococcus aureus. In total, 10 volatile organic compounds were determined from the ethyl acetate and hexane extract of the strain F-04 using GC-MS. Overall, marine bacteria isolated during this study demonstrate the potential for the development of broad spectrum antibiotics.
}, keywords = {Anti-MRSA, Antimicrobial activity, Bacterial diversity, Coral reef, Sponge}, issn = {0882-4010}, doi = {10.1016/j.micpath.2020.103972}, author = {Rajasabapathy, Raju and Ghadi, Sanjeev C. and Manikandan, Balakrishnan and Mohandass, Chellandi and Surendran, Akhila and Dastager, Syed G. and Meena, Ram M. and James, Rathinam Arthur} } @article {46628, title = {Apparent umpolung reactivity of indole through [Au]-catalysed cyclisation and lewis-acid-mediated allylation}, journal = {Chemistry-A European Journal}, volume = {26}, year = {2020}, month = {DEC}, pages = {17171-17175}, type = {Article}, abstract = {
The sequential functionalization of indole C2 and C3 in an umpolung fashion was executed with a predesigned substrate and choice of reagents. The developed method comprises gold-catalysed alkynol cycloisomerisation/intramolecular addition of C2 of indole and subsequent BF3.OEt2-mediated regioselective C3 allylation, resulting in the synthesis of the functionalized indoloisoquinolinone scaffold. The reaction involves 5-endo-alkynol cycloisomerisation and the dearomative addition of indole C2 to the intermediate oxocarbenium cation, which results in two equilibrating fused and spiropentacyclic intermediates, which upon treatment with allyl silane in the presence of BF3.OEt2, undergo selective indole C3 allylation. Other nucleophiles, such as hydride, azide and indole, were also found to be compatible with this process.
}, keywords = {Allylation, cyclization, domino reactions, Gold, umpolung}, issn = {0947-6539}, doi = {10.1002/chem.202003441, Early Access Date = NOV 2020}, author = {Shinde, Mahesh H. and Ramana, Chepuri V.} } @article {46625, title = {Approach to nigericin derivatives and their therapeutic potential}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {NOV }, pages = {43085-43091}, type = {Article}, abstract = {
A new nigericin analogue that has been chemically modified was synthesized through a fluorination process from the parent nigericin, produced from a novel Streptomyces strain DASNCL-29. Fermentation strategies were designed for the optimised production of nigericin molecule and subjected for purification and structural analysis. The fermentation process resulted in the highest yield of nigericin (33\% (w/w)). Initially, nigericin produced from the strain DASNCL-29 demonstrated polymorphism in its crystal structure, i.e., monoclinic and orthorhombic crystal lattices when crystallised with methanol and hexane, respectively. Furthermore, nigericin produced has been subjected to chemical modification by fluorination to enhance its efficacy. Two fluorinated analogues revealed that they possess a very potent antibacterial activity against Gram positive and Gram negative bacteria. To date, the nigericin molecule has not been reported for any reaction against Gram-negative bacteria, which are increasingly becoming resistant to antibiotics. For the first time, fluorinated analogues of nigericin have shown promising activity. In vitro cytotoxicity analysis of fluorinated analogues demonstrated tenfold lesser toxicity than the parent nigericin. This is the first type of study where the fluorinated analogues of nigericin showed very encouraging activity against Gram-negative organisms; moreover, they can be used as a candidate for treating many serious infections.
}, doi = {10.1039/d0ra05137c}, author = {Sahu, Amit Kumar and Said, Madhukar S. and Hingamire, Tejashri and Gaur, Megha and Khan, Abujunaid and Shanmugam, Dhanasekaran and Barvkar, Vitthal T. and Dharne, Mahesh S. and Bharde, Atul A. and Dastager, Syed G.} } @article {47018, title = {Archeal Di-O-geranylgeranyl glyceryl phosphate synthase of a UbiA superfamily member provides insight into the multiple human diseases}, journal = {Protein and Peptide Letters}, volume = {27}, year = {2020}, month = {JAN}, pages = {568-573}, type = {Review}, abstract = {
One of the unique characteristic features of the domain archaea, are the lipids that form the hydrophobic core of their cell membrane. These membrane lipids are characterized by distinctive isoprenoid biochemistry and the building blocks are two core lipid structures, sn-2,3-diphytanyl glycerol diether (archaeol) and sn-2,3-dibiphytanyl diglycerol tetraether (caldarchaeol). Archaeol has two phytanyl chains (C-20 in a bilayer structure connected to the glycerol moiety by an ether bond. The enzyme involved in this bilayer formation is Di-O-Geranylgeranyl Glyceryl Phosphate Synthase (DGGGPS), which is a member of a very versatile superfamily of enzymes known as UbiA superfamily. Multiple sequence analysis of the typical members of the UbiA superfamily indicates that the majority of conserved residues are located around the central cavity of these enzymes. Interestingly few of these conserved residues in the human homologs are centrally implicated in several human diseases, on basis of the major mutations reported against these diseases in the earlier clinical studies. It remains to he investigated about the role of these conserved residues in the biochemistiy of these enzymes. The binding and active site of these enzymes found to be similar architecture but have different substrate affinities ranging from aromatic to linear compounds. So further investigation of UbiA superfamily may be translated to novel therapeutic and diagnostic application of these proteins in human disease management.
}, keywords = {Archeal lipids, biA superfamily, DGGGPS, genetic diseases, lipid synthesis, membrane protein}, issn = {0929-8665}, doi = {10.2174/0929866526666191209143948}, author = {Boral, Debjyoti and Rao, Vamkudoth Koteswara and Ramasamy, Sureshkumar} } @article {46880, title = {Aromatic amine passivated TiO2 for dye-sensitized solar cells (DSSC) with similar to 9.8\% efficiency}, journal = {Solar Energy}, volume = {201}, year = {2020}, month = {MAY }, pages = {965-971}, type = {Article}, abstract = {
In this work, the efficiency of dye-sensitized solar cells (DSSC) was improved by capping TiO2 with simple aromatic amines as a complexing agent. The aromatic amines, aniline and o-phenylenediamine capped TiO2 composites were synthesized via hydrothermal route and used as scattering layer in dye-sensitized solar cell (DSSC). Markedly, the maximum photo-conversion efficiency of 9.84\% was achieved with o-phenylenediamine capped-TiO2 composite as o-phenylenediamine capped-TiO2 showed higher reflectivity than the pristine TiO2, which is highly beneficial for reflecting the photons back to photoanode. In addition, the average life time of carriers in o-phenylenediamine capped-TiO2 was found to be 9.8 ms, which was 2 times higher than the pristine TiO2 (4.29 ms).
}, keywords = {Aromatic amines, DSSC, Electron injection, lifetime, Scattering layer, TiO2}, issn = {0038-092X}, doi = {10.1016/j.solener.2020.03.077}, author = {Kumar, T. R. Naveen and Yuvaraj, S. and Kavitha, P. and Sudhakar, Vediappan and Krishnamoorthy, Kothandam and Neppolian, B.} } @article {46875, title = {Assessing the impact of deviations in optimized multistep flow synthesis on the scale-up}, journal = {Reaction Chemistry \& Engineering}, volume = {5}, year = {2020}, month = {MAY }, pages = {838-848}, type = {Review}, abstract = {
This manuscript highlights the unavoidable connection between manual and self-optimized flow synthesis protocols for multistep flow synthesis and its scale-up. While briefly summarizing the state of the art in the self-optimization approach, a brief summary of industrially scaled-up processes is also given. We have used as a case study the flow synthesis of ivacaftor that is optimized at the laboratory scale and is subjected to specific deviations deliberately. The resulting effects are captured in terms of their effect on the scale-up approach. The analysis shows that small deviations in performance viz. conversion or selectivity at every reaction step would lead to significant deviation in the process and the overall capital investment. Translating {\textquoteleft}{\textquoteleft}laboratory synthesis{\textquoteright}{\textquoteright} into {\textquoteleft}{\textquoteleft}commercial scale manufacturing{\textquoteright}{\textquoteright} needs careful differentiation between an optimized reaction step and realizing a commercially feasible process. We have also highlighted the role of 3D printing in fabricating prototype and scalable flow systems.
}, issn = {2058-9883}, doi = {10.1039/d0re00025f}, author = {Sharma, M. K. and Raval, J. and Ahn, Gwang-Noh and Kim, Dong-Pyo and Kulkarni, A.} } @article {46697, title = {Attempted synthesis of central furopyran core of diocollettines A via a gold-catalyzed cascade 1,6-diyne cycloisomerization process}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {OCT }, pages = {152367}, type = {Article}, abstract = {
Herein, we describe an Au-catalyzed cascade diyne cycloisomerization process that was projected to construct the central furopyran bicyclic core of Diocollettines A. Our intended strategy for the annulation of the third thf ring is based on epoxidation and subsequent intramolecular acetalization. However, the initial alkynol cyclization occurred in an undesired 5-exo-dig mode, ultimately leading to an undesired furopyran. (C) 2020 Elsevier Ltd. All rights reserved.
}, keywords = {1, 6-Hexadiyne, Alkynol cycloisomerization, Diocollettines A, Gold-catalysis, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.152367}, author = {Mullapudi, Venkannababu and Ramana, V, Chepuri} } @article {46829, title = {Autophagic pathways to clear the tau aggregates in alzheimer{\textquoteright}s disease}, journal = {Cellular and Molecular Neurobiology}, year = {2020}, month = {JUN}, type = {Review; Early Access 2020}, abstract = {
Tau is a microtubule-associated protein with an intrinsically unstructured conformation. Tau is subjected to several pathological post-translational modifications (PTMs), leading to its loss of interaction with microtubules and accumulation as neurofibrillary tangles (NFTs) in neurons. Tau aggregates impede functions of endoplasmic reticulum and mitochondria leading to the generation of oxidative stress and in turn amplifying the Tau aggregation. Tau is channelled to chaperones for folding into their native form, which otherwise causes its degradation and clearance. Cellular response triggers the activation of ubiquitin-proteasome system or autophagy to facilitate Tau degradation, based on the PTMs or mutations associated with Tau. Further, autophagy can be selective where Hsc70 interacts with Tau in monomeric, oligomeric and aggregated form and drives its clearance by chaperone-mediated autophagy pathway (CMA). Lysosome-associated membrane proteins-2A (LAMP-2A) is the key player of CMA that recognises Hsc70-Tau complex and triggers the downstream cascade. Thus, it becomes challenging for mutant Tau to be cleared by CMA as it loses its affinity for Hsc70 and LAMP-2A. In such a scenario, Tau might be degraded by macroautophagy otherwise sequestered by aggresomes. Henceforth, the degradation of Tau and its blockage that is associated with various PTMs of Tau would explain the dynamics of Tau degradation or accumulation in AD. Further, unveiling the role of accessory proteins involved in these degradation pathways would help in understanding their loss of function and preventing Tau clearance.
}, keywords = {Alzheimer{\textquoteright}s disease, Chaperone-mediated autophagy, Lysosome-associated membrane proteins-2A, Macroautophagy, Neurofibrillary tangles, Tau, Tau degradation, Ubiquitin-proteasome system}, issn = {0272-4340}, doi = {10.1007/s10571-020-00897-0, Early Access Date = JUN 2020}, author = {Gorantla, Nalini Vijay and Chinnathambi, Subashchandrabose} } @article {46614, title = {Bacterial biofilm formation using PCL/curcumin electrospun fibers and its potential use for biotechnological applications}, journal = {Materials}, volume = {13}, year = {2020}, month = {DEC}, pages = {5556}, type = {Article}, abstract = {
Electrospun nanofibers are used for many applications due to their large surface area, mechanical properties, and bioactivity. Bacterial biofilms are the cause of numerous problems in biomedical devices and in the food industry. On the other hand, these bacterial biofilms can produce interesting metabolites. Hence, the objective of this study is to evaluate the efficiency of poly (x190;- caprolactone)/Curcumin (PCL/CUR) nanofibers to promote bacterial biofilm formation. These scaffolds were characterized by scanning electron microscopy (SEM), which showed homogeneous fibers with diameters between 441-557 nm; thermogravimetric analysis and differential scanning calorimetry (TGA and DSC) demonstrated high temperature resilience with degradation temperatures over \>350 degrees C; FTIR and H-1-NMR serve as evidence of CUR incorporation in the PCL fibers. PCL/CUR scaffolds successfully promoted the formation of Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa biofilms. These results will be valuable in the study of controlled harvesting of pathogenic biofilms as well as in metabolites production for biotechnological purposes.
}, keywords = {Bacteria, curcumin, electrospinning, Escherichia coli, Pseudomona aeruginosa, Staphylococcus aureus}, doi = {10.3390/ma13235556}, author = {Pompa-Monroy, Daniella Alejandra and Figueroa-Marchant, Paulina Guadalupe and Dastager, Syed G. and Thorat, Meghana Namdeo and Iglesias, Ana Leticia and Miranda-Soto, Valentin and Perez-Gonzalez, Graciela Lizeth and Villarreal-Gomez, Luis Jesus} } @article {46933, title = {Basic limonoid modulates chaperone-mediated proteostasis and dissolve Tau fibrils}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {MAR}, pages = {4023}, type = {Article}, abstract = {
The Alzheimer{\textquoteright}s disease pathology is associated with accumulation of intracellular neurofibrillary tangles and extracellular senile plaques. The formation of initial nucleus triggers conformational changes in Tau and leads to its deposition. Hence, there is a need to eliminate these toxic proteins for proper functioning of neuronal cells. In this aspect, we screened the effect of basic limonoids such as gedunin, epoxyazadiradione, azadirone and azadiradione on inhibiting Tau aggregation as well as disintegration of induced Tau aggregates. It was observed that these basic limonoids effectively prevented aggregates formation by Tau and also exhibited the property of destabilizing matured Tau aggregates. The molecular docking analysis suggests that the basic limonoids interact with hexapeptide regions of aggregated Tau. Although these limonoids caused the conformational changes in Tau to beta-sheet structure, the cytological studies indicate that basic limonoids rescued cell death. The dual role of limonoids in Tau aggregation inhibition and disintegration of matured aggregates suggests them to be potent molecules in overcoming Tau pathology. Further, their origin from a medicinally important plant neem, which known to possess remarkable biological activities was also found to play protective role in HEK293T cells. Basic limonoids were non-toxic to HEK293T cells and also aided in activation of HSF1 by inducing its accumulation in nucleus. Western blotting and immunofluorescence studies showed that HSF1 in downstream increased the transcription of Hsp70 thus, aggravating cytosolic Hsp70 levels that can channel clearance of aberrant Tau. All these results mark basic limonoids as potential therapeutic natural products.
}, issn = {2045-2322}, doi = {10.1038/s41598-020-60773-1}, author = {Gorantla, Nalini Vijay and Das, Rashmi and Chidambaram, Hariharakrishnan and Dubey, Tushar and Mulani, Fayaj A. and Thulasiram, V. Hirekodathakallu and Chinnathambi, Subashchandrabose} } @article {46728, title = {Bifunctional rice husk-derived SiO2-Cu-Al-Mg nanohybrid catalyst for one-pot conversion of biomass-derived furfural to furfuryl acetate}, journal = {Fuel}, volume = {275}, year = {2020}, month = {SEP }, pages = {117953}, type = {Article}, abstract = {
Developing one-pot reaction methodologies, which typically require multifunctional catalyst systems, is crucial for sustainable production of bio-derived fuels and chemicals. This work reports one-pot hydrogenation-esterification of furfural to furfuryl acetate using a bifunctional metal-based nanohybrid catalyst, composed of rice husk (RH) derived SiO2, Cu, Al, and Mg species (RHSiO2-Cu-Al-Mg). For comparison, the catalytic efficiency of RHSiO2-Cu and RHSiO2-Cu-Al were tested under similar reaction conditions. Various analytical techniques were used to elucidate the physicochemical, textural, and acid-redox properties of the catalysts. It was found that the RHSiO2-Cu-Al-Mg catalyst contains an optimum amount of acid and redox sites, as illustrated by NH3-TPD and H-2-TPR studies, respectively. Especially, Mg addition played a vital role in tailoring acidity of the RHSiO2-Cu-Al catalyst to promote in-situ esterification of furfuryl alcohol with acetic acid to yield furfuryl acetate. As a result, the RHSiO2-Cu-Al-Mg catalyst exhibited the best performance in one-pot conversion of furfural to furfuryl acetate, outperforming various noble metal/silica based catalysts. This study offers potential opportunities for the rational design of novel, bifunctional heterogeneous catalysts for efficient production of bio-derived fuels and value added chemicals.
}, keywords = {Acid-redox sites, Bifunctional catalyst, Bio-oil upgrading, One-pot furfural conversion, Rice husk silica}, issn = {0016-2361}, doi = {10.1016/j.fuel.2020.117953}, author = {Hashim, Luqman H. and Halilu, Ahmed and Sudarsanam, Putla and Umar, Yahaya Balarabe and Bin Johan, Mohd Rafie and Bhargava, Suresh K.} } @article {46704, title = {Bimetallic palladium nickel nanoparticles anchored on carbon as high-performance electrocatalysts for oxygen reduction and formic acid oxidation reactions}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {SEP }, pages = {9285-9295}, type = {Article}, abstract = {
{Herein, we report the synthesis of carbon-supported palladium-nickel electrocatalysts (ECs) (Pd4-xNix/C ECs
}, keywords = {electrocatalysts, Formic Acid Oxidation, fuel cells, oxygen reduction reaction, palladium-nickel alloy}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01622}, author = {Goswami, Chiranjita and Saikia, Himadri and Tada, Kohei and Tanaka, Shingo and Sudarsanam, Putla and Bhargava, Suresh K. and Bharali, Pankaj} } @article {46954, title = {Binary mixtures of aprotic and protic ionic liquids demonstrate synergistic polarity effect: an unusual observation}, journal = {Journal of Solution Chemistry}, volume = {49}, year = {2020}, month = {FEB}, pages = {210-221}, type = {Article}, abstract = {
In this communication, we demonstrate the solute-solvent and solvent-solvent interactions in the binary mixtures of two aprotic ionic liquids, namely 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide, with the protic ionic liquid 1-methylimidazolium acetate. The synergistic effects as expressed by the solvatochromic parameter are noted. This observation is in contrast to the mixing of protic ionic liquids 1-methylpyrrolidium acetate and 4-methylmorpholine acetate with 1-methylimidazolium acetate, respectively. It appears that the synergistic effects in the binary mixtures of aprotic and protic ionic liquids are caused by the formation of hydrogen bonds, since cations are dominant H-bond donors while anions are dominant H-bond acceptors. Preferential solvation models are used to describe the solute-solvent interactions in the binary ionic liquid mixtures.
}, keywords = {binary mixture, Ionic liquid, polarity, Preferential solvation, synergetic effect}, issn = {0095-9782}, doi = {10.1007/s10953-020-00952-w, Early Access Date = FEB 2020}, author = {Thawarkar, Sachin and Khupse, Nageshwar D. and Kumar, Anil} } @article {46947, title = {Biofilm formation to inhibition: role of zinc oxide-based nanoparticles}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {108}, year = {2020}, month = {MAR}, pages = {110319}, type = {Review}, abstract = {
Zinc oxide nanoparticles have received much attention worldwide as they possess unique properties like varied morphology, large surface area to volume ratio, potent antibacterial activity, and biocompatibility. Biofilm contains homogenous or heterogeneous microorganisms that remain enclosed in a matrix of an extracellular polymeric substance on biotic or abiotic surfaces. Bacterial biofilm formed on medical devices such as central venous catheters, urinary catheters, prosthetic joints, cardiovascular implantable devices, dental implants, contact lenses, intrauterine contraceptive devices and breast implants cause persistent infections. Such biofilm-associated infections in medical implants cause serious problems for public health and affect the function of medical implants. So, there is an urgent need for the use of an antimicrobial agent that will inhibit biofilm, including such antibiotic-resistant bacterial strains as bacteria, to develop multiple drug-resistances resulting in failure of the antibiotic{\textquoteright}s action. The antimicrobial agent used should be ideal in terms of biocompatibility, antimicrobial activity, stability at different environmental conditions, with less sensitivity to the development of resistance towards micro-organisms, safe for in vivo and in vitro use, and remain non-hazardous to the environment, etc. The first objective of the review discusses the insights into the formation of biofilm on a medical device with the current strategies to inhibit. The second purpose is to review the recent progress in ZnO- based nanostructure including composites for antibacterial and anti-biofilm activities. This will offer a new opportunity for the application of Zinc oxide-based material in the prevention of biofilm on the medical devices.
}, keywords = {antibacterial activity, Antibiofilm agent, Biocompatibility, Biofilm, Nanocomposites, ZnO nanoparticles}, issn = {0928-4931}, doi = {10.1016/j.msec.2019.110319}, author = {Mahamuni-Badiger, Pranjali P. and Patil, Pooja M. and Badiger, Manohar V. and Patel, Pratikshkumar R. and Thorat-Gadgil, Bhagyashi S. and Pandit, Abhay and Bohara, Raghvendra A.} } @article {46721, title = {Bioinspired synthesis of multifunctional silver nanoparticles for enhanced antimicrobial and catalytic applications with tailored SPR properties}, journal = {Materials Today Chemistry}, volume = {17}, year = {2020}, month = {SEP}, pages = {100285}, type = {Article}, abstract = {
In the developing nanotechnology world, numerous attempts have been made to prepare the nobel metallic nanoparticles (NPs), which can improve their applicability in diverse fields. In the present work, the biosynthesis of silver (Ag) NPs has been successfully achieved through the medicinal plant extract (PE) of G. resinifera and effectively used for the catalytic and antibacterial applications. The size dependant tuneable surface plasmon resonance (SPR) properties attained through altering precursor concentrations. The X-ray and selected area diffraction pattern for Ag NPs revealed the high crystalline nature of pure Ag NPs with dominant (111) phase. The high-resolution TEM images show the nonspherical shape of NPs shifting from spherical, hexagonal to triangular, with wide particle size distribution ranging from 13 to 44 nm. Accordingly, the dual-band SPR spectrum is situated in the UV-Vis spectra validating the non-spherical shape of Ag NPs. The functional group present on the Ag NPs surface was analysed by FT-IR confirms the capping and reducing ability of methanolic PE G. resinifera. Further, the mechanism of antimicrobial activity studied using electron microscope showed the morphological changes with destructed cell walls of E. coli NCIM 2931 and S. aureus NCIM 5021 cells, when they treated with Ag NPs. The Ag NPs were more effective against S. aureus and E. coli with MIC 128 mu g/ml as compared to P. aeruginosa NCIM 5029 with MIC 256 mu g/ml. Apart from this, the reduction of toxic organic pollutant 4-NP to 4-AP within 20 min reveals the excellent catalytic activity of Ag NPs with rate constant k = 15.69 s(-1). (C) 2020 Elsevier Ltd. All rights reserved.
}, keywords = {Ag NPs, Antibacterial, Catalytic activity, Gardenia resinifera, surface plasmon resonance}, issn = {2468-5194}, doi = {10.1016/j.mtchem.2020.100285}, author = {Parit, S. B. and Karade, V. C. and Patil, R. B. and Pawar, V. N. and Dhavale, R. P. and Tawre, M. and Pardesi, K. and Jadhav, U. U. and Dawkar, V. V. and Tanpure, R. S. and Kim, J. H. and Jadhav, J. P. and Chougale, A. D.} } @article {46983, title = {Biomass ashes as potent adsorbent for pesticide: prediction of adsorption capacity by artificial neural network}, journal = {International Journal of Environmental Science and Technology}, volume = {17}, year = {2020}, month = {JUN}, pages = {3209-3216}, type = {Article}, abstract = {
Biomass ashes are used for adsorption of herbicides from aqueous solution. A relationship between physicochemical properties of biomass ashes such as carbon-hydrogen-nitrogen content (CHN analysis), silica content and BET surface area with their adsorption capacity was established and modeled using artificial neural network. 2,4-Dichlorophenoxyacetic acid (2,4-D) a commonly used herbicide is chosen a representative for this study. The artificial neural network model was trained, validated and tested using 35 data sets and was equipped with nine neuron hidden layers having tansig (tangent sigmoid) transfer function and an output layer with purelin (purely linear) transfer function. This model can be used to predict 2,4-D removal efficacy of any biomass ash by knowing its physicochemical properties like C, H, N, Si and BET surface area.
}, keywords = {2, 4-D, Adsorption capacity, Artificial neural network, Biochar, biomass ash}, issn = {1735-1472}, doi = {10.1007/s13762-020-02645-9, Early Access Date = FEB 2020}, author = {Gokhale, N. A. and Trivedi, N. S. and Mandavgane, S. A. and Kulkarni, B. D.} } @article {46742, title = {Biosensors: frontiers in rapid detection of COVID-19}, journal = {3 Biotech}, volume = {10}, year = {2020}, month = {AUG}, pages = {385}, type = {Review}, abstract = {
The rapid community-spread of novel human coronavirus 2019 (nCOVID19 or SARS-Cov2) and morbidity statistics has put forth an unprecedented urge for rapid diagnostics for quick and sensitive detection followed by contact tracing and containment strategies, especially when no vaccine or therapeutics are known. Currently, quantitative real-time polymerase chain reaction (qRT-PCR) is being used widely to detect COVID-19 from various types of biological specimens, which is time-consuming, labor-intensive and may not be rapidly deployable in remote or resource-limited settings. This might lead to hindrance in acquiring realistic data of infectivity and community spread of SARS-CoV-2 in the population. This review summarizes the existing status of current diagnostic methods, their possible limitations, and the advantages of biosensor-based diagnostics over the conventional ones for the detection of SARS-Cov-2. Novel biosensors used to detect RNA-viruses include CRISPR-Cas9 based paper strip, nucleic-acid based, aptamer-based, antigen-Au/Ag nanoparticles-based electrochemical biosensor, optical biosensor, and Surface Plasmon Resonance. These could be effective tools for rapid, authentic, portable, and more promising diagnosis in the current pandemic that has affected the world economies and humanity. Present challenges and future perspectives of developing robust biosensors devices for rapid, scalable, and sensitive detection and management of COVID-19 are presented in light of the test-test-test theme of the World Health Organization (WHO).
}, keywords = {Biosensors, COVID-19, Rapid detection, SARS-CoV-2}, issn = {2190-572X}, doi = {10.1007/s13205-020-02369-0}, author = {Samson, Rachel and Navale, Govinda R. and Dharne, Mahesh S.} } @article {46825, title = {Bio-surfactant: a green and environmentally benign reaction medium for ligand-free Pd-catalyzed Mizoroki-Heck cross-coupling reaction in water}, journal = {Transition Metal Chemistry}, volume = {45}, year = {2020}, month = {SEP}, pages = {403-411}, type = {Article}, abstract = {
A simple and efficient protocol for the ligand-free Mizoroki-Heck coupling reaction of various aryl bromides with different olefins has been reported by using in situ generated PdNPs of size 5-10 nm in aqueous solution of bio-surfactant. The bio-surfactant used in this study is a saponin extract of the seeds of pericarps (pods) of theAcacia concinnaplant. The in situ generated PdNPs have been characterized by various techniques such as HRTEM, EDS and XPS. The influence of various parameters such as the nature and amount of bases, the nature of Pd precatalysts as well as the effect of temperature has been investigated on Mizoroki-Heck coupling reaction. The generated PdNPs significantly coupled the various aryl bromides with different olefins in aqueous extract of the seeds of pericarps (pods) of theAcacia concinnaplant at 100 degrees C. [GRAPHICS] .
}, issn = {0340-4285}, doi = {10.1007/s11243-020-00392-x, Early Access Date = JUN 2020}, author = {Patil, Seema P. and Jadhav, Sanjay N. and Rode, Chandrashekhar V. and Shejwal, Rajendra V. and Kumbhar, Arjun S.} } @article {46724, title = {Biosynthesis and tissue-specific partitioning of camphor and eugenol in Ocimum kilimandscharicum}, journal = {Phytochemistry}, volume = {177}, year = {2020}, month = {SEP}, pages = {112451}, type = {Article}, abstract = {
In Ocimum kilimandscharicum, the relative volatile composition of camphor in leaves was as high as 55\%, while that of eugenol in roots was 57\%. These metabolites were differentially partitioned between the aerial and root tissues. Global metabolomics revealed tissue-specific biochemical specialization, evident by the differential distribution of 2588 putative metabolites across nine tissues. Next-generation sequencing analysis indicated differential expression of 51 phenylpropanoid and 55 terpenoid pathway genes in aerial and root tissues. By integrating metabolomics with transcriptomics, the camphor biosynthesis pathway in O. kilimandscharicum was elucidated. In planta bioassays revealed the role of geranyl diphosphate synthase (gpps) and borneol dehydrogenase (bdh) in camphor biosynthesis. Further, the partitioning of camphor was attributed to tissue-specific gene expression of both the pathway entry point (gpps) and terminal (bdh) enzyme. Unlike camphor, eugenol accumulated more in roots; however, absence of the eugenol synthase gene in roots indicated long distance transport from aerial tissues. In silico co-expression analysis indicated the potential involvement of ATP-binding cassette, multidrug and toxic compound extrusion, and sugar transporters in eugenol transport. Similar partitioning was evident across five other Ocimum species. Overall, our work indicates that metabolite partitioning maybe a finely regulated process, which may have implications on plant growth, development, and defense.
}, keywords = {Borneol dehydrogenase, Camphor, Eugenol, Geranyl diphosphate synthase, Lamiaceae, Metabolite partitioning, Metabolomics, Ocimum kilimandscharicum, Transcriptomics}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2020.112451}, author = {Singh, Priyanka and Kalunke, Raviraj M. and Shukla, Anurag and Tzfadia, Oren and Thulasiram, V. Hirekodathakallu and Giri, Ashok P.} } @article {46606, title = {Bis(silanetellurone) with C-H center dot center dot center dot Te Interaction}, journal = {Inorganic Chemistry}, volume = {59}, year = {2020}, month = {DEC }, pages = {17811-17821}, type = {Article}, abstract = {
Herein, we report the synthesis of a series of bis(silanechalcogenones) [Ch = Te (2), S (3), or Se (4)] using an N-heterocyclic silylene-based SiCSi pincer ligand (1). 2 is the first example of a bis(silanetellurone) derivative. The bonding patterns of 2-4 were extensively studied by natural bond orbital, quantum theory of atoms in molecules, and noncovalent interaction index analyses, and these exhibit weak C-H center dot center dot center dot Ch interaction. The analogous reaction of 1 with trimethyl N-oxide produced a novel bis(cyclosiloxane) derivative (5). All of the complexes are duly characterized by single-crystal X-ray diffraction studies, multinuclear nuclear magnetic resonance (H-1, C-13, and Si-29) spectroscopy, and high-resolution mass spectrometry.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.0c03098}, author = {Ghosh, Moushakhi and Panwaria, Prakash and Tothadi, Srinu and Das, Aloke and Khan, Shabana} } @article {46624, title = {Blends of neem oil based polyesteramide as nanofiber mats to control Culicidae}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {NOV }, pages = {42827-42837}, type = {Article}, abstract = {
Mosquitoes act as vectors for several disease-causing microorganisms and pose a threat to mankind by transmitting various diseases. There are different conventional methods to repel or kill these mosquitoes for avoiding susceptibility against infections. However, to overcome the difficulties with conventional methods, new advanced materials are being studied. For the first time, we report developing a nanofiber mat with a controlled release of insecticide to repel or detain the mosquitoes. Briefly, various blend compositions were prepared by manipulating the ratio of neem oil-based polyesteramide (PEA) and polycaprolactone (PCL) immobilized with insecticide, transfluthrin (Tf). The blend solutions were electrospun to get non-woven nanofiber mats, and these nanomaterials were characterized by various spectroscopic techniques to understand their physicochemical properties. The surface morphology was analyzed using environmental scanning electron microscopy (E-SEM), and the diameter of the nanofibers was in the range of 200 to 450 nm. Further, thermal and mechanical properties were evaluated to understand the stability of nanofiber mats. In vitro drug release studies of nanofiber mat PPT-1335 showed controlled and sustained release of Tf, with similar to 35\% of Tf released in 24 h. However, a film of the same composition (PPT-1335) showed similar to 5\% of Tf release within 24 h. Moreover, in vivo bio-efficacy studies suggested the mortality of mosquitoes was about 50\% with PP-133, which was further increased to 100\% within 12 h in the presence of Tf (PPT-1335). However, 60\% mortality of mosquitoes was observed with the film of PPT-1335. Hence, the nanofiber mat showed better efficacy against mosquitoes as compared to the film of the same composition. The degradation studies under various conditions revealed biocompatibility of the developed nanofiber mats with the ecosystem.
}, doi = {10.1039/d0ra08297j}, author = {Konchada, Sravanya and Killi, Naresh and Sayyad, Shahebaz and Gathalkar, Ganesh B. and Gundloori, Rathna V. N.} } @article {47319, title = {Boron nitride and oxide supported on dendritic fibrous nanosilica for catalytic oxidative dehydrogenation of propane}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {NOV }, pages = {16124-16135}, type = {Article}, abstract = {
In this work, we were able to significantly increase the activity of boron nitride (BN) catalysts used for the oxidative dehydrogenation (ODH) of propane by designing and synthesizing BN supported on dendritic fibrous nanosilica (DFNS). DFNS/BN showed a markedly increased catalytic efficiency, accompanied by exceptional stability and selectivity. Textural characterization, together with solid-state nuclear magnetic resonance (NMR) and X-ray photoelectron spectroscopic analyses, indicates the presence of a combination of unique fibrous morphology of DFNS and various boron sites connected to silica to be the reason for this increase in the catalytic performance. Notably, DFNS/B2O3 also showed catalytic activity, although with more moderate selectivity compared to that of DFNS/BN. Solid-state NMR spectra indicate that the higher selectivity of DFNS/BN might stem from a larger amount of hydrogen-bonded hydroxyl groups attached to B atoms. This study indicates that both boron nitride and oxide are active catalysts and by using high surface area support (DFNS), conversion from propane to propene as well as productivity of olefins was significantly increased.
}, keywords = {Electron microscopy, heterogeneous catalysis, Nanostructures, NMR spectroscopy, propane dehydrogenation, X-ray diffraction, X-ray photoelectron spectroscopy}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.0c04148}, author = {Belgamwar, Rajesh and Rankin, Andrew G. M. and Maity, Ayan and Mishra, Amit Kumar and Gomez, Jennifer S. and Trebosc, Julien and Vinod, Chathakudath P. and Lafon, Olivier and Polshettiwar, Vivek} } @article {46792, title = {Can half-a-monolayer of pt simulate activity like that of bulk pt? solar hydrogen activity demonstration with quasi-artificial leaf device}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {JUL }, pages = {30420-30430}, type = {Article}, abstract = {
Pt is the best cocatalyst for hydrogen production. It is also well-known that the surface atomic layer is critical for catalysis. To minimize the Pt content as cocatalyst, herein we report on half-a-monolayer of Pt (0.5 theta(Pt)) decorated on earth-abundant Ni-Cu cocatalyst, which is integrated with a quasiartificial leaf (QuAL) device (TiO2/ZnS/CdS) and demonstrated for efficient solar hydrogen production. For the QuAL, TiO2 is sensitized with ZnS and CdS quantum dots by the SILAR method. The 0.5 theta(Pt)-decorated Ni-Cu shows an onset potential of 0.05 V vs reversible hydrogen electrode for the hydrogen evolution reaction, which is almost similar to that of commercial Pt/C. Photoactivity of the present QuAL device with either bulk Pt or 0.5 theta(Pt)-coated Ni-Cu cocatalyst is, surprisingly, equal. Our findings underscore that a fraction of a monolayer of Pt can enhance the activity of the cocatalyst, and it is worth exploring further for the high activity associated with atomic Pt and other noble metals.
}, keywords = {artificial leaf, nickel-copper, Photocatalysis, platinum, Solar hydrogen}, issn = {1944-8244}, doi = {10.1021/acsami.0c07431}, author = {Bajpai, Himanshu and Patra, Kshirodra Kumar and Ranjan, Ravi and Nalajala, Naresh and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S.} } @article {46753, title = {Carbon allotropes: metal-complex chemistry, properties and applications}, journal = {MRS Bulletin}, volume = {45}, year = {2020}, month = {AUG}, pages = {678}, type = {Book Review}, issn = {0883-7694}, author = {Sharma, Geeta} } @article {45546, title = {Carbon quantum dots functionalized agarose gel matrix for in solution detection of nonylphenol}, journal = {Environmental Technology}, volume = {41}, year = {2020}, month = {JAN}, pages = {322-328}, type = {Article}, abstract = {
Nonylphenol, an endocrine disrupter, is widely released to the aquatic environment, which is accumulative and extremely toxic to aquatic organisms. Here, we report a simple and cost-effective large-scale green synthesis of water-soluble highly fluorescent carbon quantum dots (CQDs) from marine biowaste (offshore washed algae) which gets quenched strongly in the presence of nonylphenol. These CQDs were around 20-40 nm in size and exhibit fluorescence constantly at 360 nm. The XRD profile depicted the interlayer spacing in the particle as 0.284 nm with a humped peak around 14 degrees showing the amorphous nature of the CQDs. FTIR spectra showed the stretching vibration of the hydroxyl groups (OH), asymmetric and symmetric stretching vibrations of the carboxylate anions (COO-). The fluorescence quantum yield of the CQDs is up to 68\% and nonyl phenol detection limit is less than 0.1 {\textmu}M. Furthermore, the CQDs were found to be stable at a wide pH range which makes it a suitable nonylphenol sensor for a variety of environmental samples. We functionalized these CQDs on an agarose gel matrix to develop a convenient sensor for the rapid detection of nonylphenol.
}, keywords = {Carbon quantum dots, endocrine disrupter, marine algae, nonylphenol, pollutant}, issn = {0959-3330}, doi = {10.1080/09593330.2018.1498133}, author = {Singh, S. and Nigam, P. and Pednekar, A. and Mukherjee, S. and Mishra, A.} } @article {47148, title = {Carbon supported size-controlled ru catalysts for selective levulinic acid hydrogenation into γ-valerolactone}, journal = {Journal of Siberian Federal University-Chemistry}, volume = {13}, year = {2020}, month = {JAN}, pages = {5-16}, type = {Article}, abstract = {
Liquid phase levulinic acid hydrogenation into γ-valerolactone in 1,4-dioxane as a solvent (165{\textdegree}C, 20 bar) was studied over a range of Ru monometallic catalysts using mesoporous carbon material Sibunit as a support. In addition to the catalyst prepared by impregnation with RuCl3.nH2O (0.1 M) followed by reduction in H2, size-controlled Ru(NPs)/Sibunit catalysts were synthesized by immobilization of polyvinylpyrrolidone (PVP) stabilized Ru nanoparticles (NPs) (dRu=2.4 nm). Сarbon supported colloidal Ru NPs were not studied earlier in levulinic acid hydrogenation. Activity of colloidal Ru(NPs)/Sibunit catalysts was found to be lower than that of impregnated Ru/Sibunit which could be attributed to hampering effect of PVP. However, colloidal Ru(NPs)/Sibunit purified by thermal treatment in air (180{\textdegree}C) followed by reduction in H2 (400{\textdegree}C) exhibited the same activity as impregnated one yielding 93\% γ-valerolactone at 100\% levulinic acid conversion. Applicability of supported PVP-assisted colloidal Ru NPs in hydrogenation of levulinic acid illustrates a potential to prepare more efficient catalysts for this reaction with a desired particle size. The catalysts were characterized by TEM, XRF, and N2 physisorption to compare their physical chemical properties.
}, doi = {10.17516/1998-2836-0166}, author = {Simakova, Irina L. and Demidova, Yuliya S. and Simonov, Mikhail N. and Niphadkar, Prashant S. and Bokade, Vijay V. and Devi, Nandini and Dhepe, Paresh L. and Murzin, Dmitry Yu} } @article {46682, title = {Cascade dehydrative amination of glycerol to oxazoline (vol 8, pg 2954, 2018)}, journal = {Catalysis Science \& Technology}, volume = {10}, year = {2020}, month = {OCT }, pages = {6740}, type = {Correction}, abstract = {
Correction for {\textquoteleft}Cascade dehydrative amination of glycerol to oxazoline{\textquoteright} by R. Pandyaet al.,Catal. Sci. Technol., 2018,8, 2954-2965, DOI: ;10.1039/C8CY00185E.
}, issn = {2044-4753}, doi = {10.1039/d0cy90089c}, author = {Pandya, R. and Mane, R. and Rode, C. V.} } @article {46952, title = {Catalyst-free regioselective [3+2] cycloadditions of alpha,beta-unsaturated N-arylnitrones with alkenes to access functionalized isoxazolidines: a DFT study}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {MAR}, pages = {899-903}, type = {Article}, abstract = {
The catalyst-free regioselective [3+2]-cycloaddition of alpha,beta-unsaturated N-arylnitrones with alkenes are developed. The series of synthetically important functionalized isoxazolidines are prepared in good to excellent yields by step economic pathway under ligand and transition-metal-free conditions. The regioselective cycloaddition pathway supported by control experiment and computational study.
}, keywords = {DFT study, isoxazolidines, metal and ligand free, nitrone cycloaddition, Regioselective}, issn = {1861-4728}, doi = {10.1002/asia.201901754, Early Access Date = FEB 2020}, author = {Ghosh, Arnab and Mane, Manoj V. and Rode, Haridas B. and Patil, Siddappa A. and Sridhar, Balasubramanian and Dateer, Ramesh B.} } @article {46611, title = {Catalytic biomass valorization - status and perspectives}, journal = {Biomass Conversion and Biorefinery}, volume = {10}, year = {2020}, month = {DEC}, pages = {793}, type = {Editorial Material}, issn = {2190-6815}, doi = {10.1007/s13399-020-01067-4}, author = {Sudarsanam, Putla} } @article {46827, title = {Catalytic conversion of HMF into ethyl levulinate - a biofuel over hierarchical zeolites}, journal = {Catalysis Communications}, volume = {140}, year = {2020}, month = {JUN}, pages = {105998}, type = {Article}, abstract = {
Catalytic conversion of 5-hydroxymethyl-2-furfuraldehyde (HMF, a biomass-derived platform chemical) into ethyl levulinate (EL) is an attractive approach for producing renewable transport fuels for mitigating global warming. We report here the application of hierarchical zeolites (DZSM-5 and MZSM-5 synthesized by desilication and mesoporous templating approaches, respectively) as solid acid catalysts for this transformation. Hierarchical structure of these zeolites was confirmed by X-ray diffraction, nitrogen-physisorption and electron microscopy, and acidity was determined by temperature-programmed desorption of ammonia. HMF conversion of 94.2\% with EL selectivity of 90.8\% was achieved over the MZSM-5 catalyst. Acidity, pore size and surface properties affected the catalytic activity.
}, keywords = {5-Hydroxymethyl-2-furfuraldehyde (HMF), Biofuel, ethyl levulinate, Hierarchical zeolite, ZSM-5}, issn = {1566-7367}, doi = {10.1016/j.catcom.2020.105998}, author = {Chithra, P. A. and Darbha, Srinivas} } @article {47333, title = {Catalytic hydrogenation of cinnamic acid and salicylic acid}, journal = {Asian Journal of Chemistry}, volume = {32}, year = {2020}, month = {JAN}, pages = {339-341}, type = {Article}, abstract = {
Hydrogenation of cinnamic acid and salicylic acid was carried out using 5 \%Ru/C, 5 \% Pd/C and Ru-Sn/Al2O3 catalyst at 493 K and 6.89 MPa of hydrogen partial pressure. Ru-Sn/Al2O3 catalyst was found to be active for hydrogenation -COOH group to give cinnamyl alcohol. The selectivity to cinnamyl alcohol was low (15 \%) as absolute inhibition of C=C bond hydrogenation in cinnamic acid is challenging. 5 \%Pd/C catalyst was found to hydrogenate C=C bond and aromatic ring in cinnamic acid. 5 \%Ru/C catalyst was found to be least selective catalyst as it hydrogenated C=C bond, aromatic ring and -COOH group in cinnamic acid. Hydrogenation of salicylic acid is not possible at 493 K as decarboxylation of salicylic acid occurs.
}, doi = {10.14233/ajchem.2020.22393}, author = {Shinde, Sunil and Deshpande, Raj M.} } @article {46776, title = {Catalytic reductive deoxygenation of esters to ethers driven by hydrosilane activation through non-covalent interactions with a fluorinated borate salt}, journal = {Catalysis Science \& Technology}, volume = {10}, year = {2020}, month = {JUL}, pages = {4586-4592}, type = {Article}, abstract = {
We report the catalytic and transition metal-free reductive deoxygenation of esters to ethers through the use of a hydrosilane and a fluorinated borate BArF salt as a catalyst. Experimental and theoretical studies support the role of noncovalent interactions between the fluorinated catalyst, the hydrosilane and the ester substrate in the reaction mechanism.
}, issn = {2044-4753}, doi = {10.1039/d0cy00775g}, author = {Rysak, Vincent and Dixit, Ruchi and Trivelli, Xavier and Merle, Nicolas and Agbossou-Niedercorn, Francine and Vanka, Kumar and Michon, Christophe} } @article {46685, title = {CD44, a predominant protein in methylglyoxal-induced secretome of muscle cells, is elevated in diabetic plasma}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {OCT }, pages = {25016-25028}, type = {Article}, abstract = {
Methylglyoxal (MG), a glycolytic intermediate and reactive dicarbonyl, is responsible for exacerbation of insulin resistance and diabetic complication. In this study, NIG-induced secretome of rat muscle cells was identified and relatively quantified by SWATH-MS. A total of 643 proteins were identified in MG induced{\textquoteright} secretome, of which 82 proteins were upregulated and 99 proteins were downregulated by more than 1.3-fold in SWATH analysis. Further, secretory proteins from the dassical secretory pathway and nonclassical secretory pathway were identified using SignalP and SecretomeP, respectively. A total of 180 proteins were identified with SignalP, and 113 proteins were identified with SecretomeP. The differentially expressed proteins were functionallyannotated by KEGG pathway analysis using Cytoscape soft ware with plugin clusterMaker. The differentially expressed proteins were{\textquoteright}sfound to he involved m various pathways like extracellular matrix (ECM) receptor interaction, leukocyte transendothelial migration, fluid shear tress and atherosclerosis, complement and coagulation cascades, and lysosomal pathway. Since the MG levels are high in diabetic conditions, the presence of MG-induced isecreted proteins was inspected {\textquoteleft}by profiling human plasma of healthy and diabetic subjects (n = 10 each). CD44, a predominant MG -induced secreted protein, was found to be elevated in the diabetic plasma and to have a role in the development of insulin resistance.
}, issn = {2470-1343}, doi = {10.1021/acsomega.0c01318}, author = {Bai, Shakuntala and Chaurasiya, Arvindkumar H. and Banarjee, Reema and Walke, Prachi B. and Rashid, Faraz and Unnikrishnan, Ambika G. and Kulkarni, Mahesh J.} } @inbook {47833, title = {Chapter 18 - Advances in agrochemical remediation using nanoparticles}, booktitle = {Agrochemicals Detection, Treatment and Remediation}, year = {2020}, pages = {465-485}, publisher = {Butterworth-Heinemann}, organization = {Butterworth-Heinemann}, abstract = {Agrochemical pollution is a serious threat to environmental safety. Exposure to agrochemicals had deleterious health effects such as nervous system damage and cancer. Biological magnification of persistent agrochemicals also occurred. Hence, remediation approaches for agrochemical pollution must be a holistic approach, including environment and crop produces. The advent of nanotechnology helped to formulate highly efficient methods for the remediation of agrochemicals. High reactive surface area and very small packing space requirements made usage of nanoparticles as a popular agent in agrochemical remediation. Growing interests in surface-engineered nanoparticles promise complete removal of agrochemicals from the environment. Nanosorbents immobilized agrochemicals in the soil and helped microbial degradation of these compounds. However, many of the agrochemicals are persistent, and hence complete removal of these residues practice via photocatalysis. Photocatalytic degradation of persistent agrochemicals using bimetallic nanocomposites widely adopted. Large-scale environmental remediation of agrochemicals in soil, water, and agriculture products achieved via nanoparticles-based agrochemical cleaning systems such as thin-film fixed-bed reactors and nano-phytoremediation.}, keywords = {agrochemical cleaning systems, nanosorbents, Pesticides, Photocatalysis, surface engineering}, isbn = {978-0-08-103017-2}, doi = {10.1016/B978-0-08-103017-2.00018-0}, url = {https://www.sciencedirect.com/science/article/pii/B9780081030172000180}, author = {Abin Sebastian and Ashwini Nangia and Majeti Narasimha Vara Prasad}, editor = {Majeti Narasimha Vara Prasad} } @inbook {47326, title = {Chapter 9. continuous flow synthesis of nanomaterials}, booktitle = {Flow Chemistry }, year = {2020}, pages = {316-339}, publisher = {RSC}, organization = {RSC}, abstract = {
Continuous flow synthesis of nanoparticles is now a well-accepted and reliable synthesis approach that gives consistent product properties. This chapter aims to do a critical analysis of the recent work in some of the relevant areas and gives specific recommendations where flow synthesis of nanomaterials can be realized as a reliable manufacturing process. The chapter also highlights the typical engineering issues that one needs to consider while transforming a batch synthesis protocol into continuous mode and its scale-up.
}, doi = {10.1039/9781788016094-00316}, author = {Kulkarni, Amol A. and Jundale, Rajashri B.} } @inbook {47779, title = {Chapter 9 - CRISPR-Cas9 for therapy: the challenges and ways to overcome them}, booktitle = {Genome Engineering via CRISPR-Cas9 System}, year = {2020}, pages = {101-110}, publisher = {Academic Press}, organization = {Academic Press}, abstract = {Clustered regularly interspaced short palindromic repeat/CRISPR-associated (CRISPR Cas) is a component of the prokaryotic adaptive immune system which has been repurposed for genome editing in recent years. The precision, simplicity and flexibility of this system have opened up a broad range of biological applications covering basic research to biotechnology and medicine. Additionally, the multiplexing capabilities of CRISPR offers a promising approach for modeling or correcting common polygenic disorders along with its monogenic and infectious counterparts. Although CRISPR is not completely precise and questions remain regarding its specificity and modes of delivery, the robustness and wide applicability of this genome editing tool has opened up numerous ways to address these issues. In this chapter, we will discuss about initial progress toward CRISPR therapeutics, existing delivery modalities, the challenges before CRISPR editing before it becomes a therapeutic possibility and the ongoing efforts toward developing a perfect CRISPR system for bench to bedside application.}, keywords = {CRISPR therapeutics, CRISPR-Cas9, iPSC}, isbn = {978-0-12-818140-9}, doi = {10.1016/B978-0-12-818140-9.00009-X}, url = {https://www.sciencedirect.com/science/article/pii/B978012818140900009X}, author = {Sundaram Acharya and Souvik Maiti and Debojyoti Chakraborty}, editor = {Vijai Singh and Pawan K. Dhar} } @article {46844, title = {Characterisation of hyper tolerant Bacillus firmus L-148 for arsenic oxidation}, journal = {Environmental Pollution}, volume = {261}, year = {2020}, month = {JUN}, pages = {114124}, type = {Article}, abstract = {
Groundwater arsenic pollution causes millions of deaths worldwide. Long term natural and anthropogenic activities have increased arsenic levels in groundwater causing higher threats of arsenic exposure. Arsenic hyper-tolerant Firmicute Bacillus firmus L-148 was isolated from arsenic limiting Lonar lake soil, which tolerated more than 3 M arsenic and could oxidize 75 mM arsenite [As(III)] in 14 days. It oxidized As(III) in presence of heavy metals and had unusual pH optima at 9.2. B. firmus L-148 was studied at the biochemical, protein, genomic and transcript level for understanding its arsenic oxidizing machinery. The proteomic and transcript analysis exhibited the presence of ars and aio operon and supported the inducible nature of ars operon. Robust, hyper-tolerant, fast As(III) oxidizing, least nutrient requiring and multi-metal resistance qualities of the strain were used in microcosm studies for bioremediation. Artificial groundwater mimicking microcosm with 75 mM As(III) was developed. Modulation of carbon source, iron and multi metals affected growth and As(III) oxidation rate. The As(III) oxidation was recorded to be 77\% in 15 days in presence of sodium acetate and Fe ions. This microcosm study can be explored for bioremediation of arsenic contaminated water and followed by precipitation using other methods. (C) 2020 Elsevier Ltd. All rights reserved.
}, keywords = {Arsenic hyper-tolerance, Lonar lake, Microcosm studies, Multi-metal resistance, Next generation sequencing}, issn = {0269-7491}, doi = {10.1016/j.envpol.2020.114124}, author = {Bagade, Aditi and Nandre, Vinod and Paul, Dhiraj and Patil, Yugendra and Sharma, Nisha and Giri, Ashok and Kodam, Kisan} } @article {46699, title = {Characterization of multidrug resistance in Vibriospecies isolated from marine invertebrates from Andaman Sea}, journal = {3 Biotech}, volume = {10}, year = {2020}, month = {SEP}, pages = {456}, type = {Article}, abstract = {
This study describes the abundance of multidrug-resistantVibriosassociated with marine invertebrate hosts from the Andaman Sea, India. Thirty-eightVibriostrains were isolated from surface mucus layers of coralPorites,Goniastrea, Pocillopora, Fungia, and eggs of spiny lobster (Panulirus penicillatus). Phenotypically, the majority of strains exhibited growth at a wide range of temperatures, salt tolerance, and diverse nutritional requirements. All the strains had more than 97\% 16S rRNA sequence similarity with type species of the genusVibriowhereVibrio fortis, andVibrio alginolyticuswere predominant. Multilocus Sequence Analysis (MLSA) using eight housekeeping genes namelyftsZ,gapA,gyrB,mreB,pyrH,recA,rpoA,andtopAdistributed the strains into 6 reported clades i.e.,Harveyi, Ponticus, Nereis, Orientalis, Splendidus,andMediterraneiwhere nearly half of the total strains represented the cladeHarveyi, followed by the cladeSplendidus.Likewise, the PFGE profile indicated genomic heterogeneity among the strains resulting in their distribution in five major clusters. Resistance to different antimicrobials was tested following the disc diffusion method where all strains were found susceptible to chloramphenicol (30 mu g) and resistant to streptomycin (10 mu g), vancomycin (30 mu g), sulfamethoxazole-trimethoprim (25 mu g). Moreover, the resistant phenotype to other antimicrobials confirmed the abundance of multidrug resistance strains in this marine environment.
}, keywords = {Drug-resistant, Genetic diversity, marine invertebrate, Multilocus sequence analysis, Vibrio}, issn = {2190-572X}, doi = {10.1007/s13205-020-02445-5}, author = {Kumari, Prabla and Poddar, Abhijit and Das, Subrata K.} } @article {47000, title = {Chemoselective ring closure of 4-(3-Methyl-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanal leading to pandalizine A}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {JAN }, pages = {859-863}, type = {Article}, abstract = {
Starting from methylmaleic anhydride, a facile total synthesis of pandalizine A alkaloid is described via the regioselective reduction of methylmaleimide and acid-catalyzed enolization of 4-(3-methyl-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanal followed by chemoselective intramolecular dehydrative cyclization as the key steps. It is noteworthy that the analogous model system with an additional beta-methyl group followed an alternative chemoselective intermolecular aldol condensation pathway.
}, issn = {2470-1343}, doi = {10.1021/acsomega.9b03760}, author = {Yadav, Mahesh B. and Pandhade, Kailas R. and Argade, Narshinha P.} } @article {46597, title = {Chiron approach to formal synthesis of both antipodes of cis 3-hydroxypipecolic acid (vol 55, pg 6423, 2014)}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {DEC }, pages = {152644}, type = {Correction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.152644}, author = {Chavan, Subhash P. and Khairnar, Lalit B. and Chavan, Prakash N. and Dumare, Nilesh B. and Kalbhor, Dinesh B. and Gonnade, Rajesh G.} } @article {46783, title = {Co (9) S (8) nanoparticle-supported nitrogen-doped carbon as a robust catalyst for oxygen reduction reaction in both acidic and alkaline conditions}, journal = {ChemElectroChem}, volume = {7}, year = {2020}, month = {JUL}, pages = {3123-3134}, type = {Article}, abstract = {
The present work illustrates the synthesis of an efficient and durable catalyst for electrochemical oxygen reduction reaction (ORR) which is active both in the alkaline and acidic conditions by dispersing few-layer graphitic carbon coated Co(9)S(8)nanoparticles on the nitrogen-doped carbon (NVC-G) support (Co9S8/NVC-G). The size of the Co(9)S(8)nanoparticles is nearly 7-8 nm and the particles are found to be dispersed homogeneously on the NVC-G support. The few-layer graphitic carbon formed on the surface of Co(9)S(8)nanoparticles is assisting to accomplish their small size and it also prevents agglomeration of the nanoparticles. The ORR activity of the obtained material was analyzed in both 0.1 M KOH and 0.5 M H(2)SO(4)solutions. Co9S8/NVC-G displays nearly 70 mV overpotential compared to thestate-of-the-artPt/C in 0.1 M KOH solution. The half-wave potential (E-1/2) difference of the present system is nearly 75 mV with the commercial Pt/C. Co9S8/NVC-G displays promising ORR activity in the acidic conditions as well with nearly 140 mV overpotential compared to its Pt/C counterpart. The system shows about 170 mV lowerE(1/2)value with Pt/C. The system shows good stability both in acidic and basic conditions compared to the Pt/C system. Finally, testing of a single cell of a polymer electrolyte membrane fuel cell (PEMFC) was performed by employing Co9S8/NVC-G as the cathode catalyst and Nafion-212 as the proton exchange membrane. The system displays a maximum power density of 245 mW cm(-2)in H-2-O(2)and 115 mW cm(-2)in H-2-air feeding conditions.
}, keywords = {cobalt sulfide, fuel cells, Nanoparticles, nitrogen-doped carbon, oxygen reduction reaction}, issn = {2196-0216}, doi = {10.1002/celc.202000786}, author = {Illathvalappil, Rajith and Kurungot, Sreekumar} } @article {46688, title = {CO2 hydrogenation to formate by palladium nanoparticles supported on N-incorporated periodic mesoporous organosilica}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {OCT }, pages = {14765-14774}, type = {Article}, abstract = {
Development of a heterogeneous catalyst capable of selective transformation of CO2 to valuable products still remains a challenge. In this article, we account for the surfactant-directed synthesis of a new framework-incorporated nitrogen-containing periodic mesoporous organosilica nanosphere (NPMO). A thoroughly characterized N-incorporated hybrid PMO was utilized as a platform for stabilizing well-dispersed and easily accessible Pd nanoparticles (Pd-NPMO) without using any stabilizing agents or expensive dendrimers. Further, this bifunctional hybrid catalyst has been demonstrated to heterogeneously catalyze aqueous phase CO2 hydrogenation (CO2/H-2 ratio 1:3) for the direct synthesis of formate under 4 MPa pressure and at 100 degrees C. To validate the superior performance of the Pd-NPMO catalyst, we compared the activity with Pd-SBA-15 catalysts, and the results showed a 10-fold increase in turnover frequency of 108 h(-1) using Pd on NPMO which envisaged the crucial role of nitrogen sites in this catalyst to boost the CO2 valorization to formate.
}, keywords = {CO2 hydrogenation, Formic acid synthesis, Hybrid silica, Pd nanoparticles, PMO}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.0c03860}, author = {Betsy, K. J. and Lazar, Anish and Pavithran, Anjuna and Vinod, C. P.} } @article {46843, title = {Cobalt-based metal complexes prevent repeat tau aggregation and nontoxic to neuronal cells}, journal = {International Journal of Biological Macromolecules}, volume = {152}, year = {2020}, month = {JUN }, pages = {171-179}, type = {Article}, abstract = {
Alzheimer{\textquoteright}s disease (AD) is a fatal neurodegenerative disorder with an alarming increase in the death rate every year. AD is characterised by an aberrant accumulation of proteins in the form of aggregates. The axonal microtubule-associated protein Tau and arnyloid-beta undergo structural transition to beta-sheet rich structure and form aggregates in neuronal soma as well as in the extracellular region. The loss of Tau from microtubules leads to the disintegration of axon and causing neuronal degeneration. This led to the development of effective drugs against AD, to prevent Tau aggregation. Here, we synthesized and screen metal-based complexes to prevent Tau protein aggregation. ThS fluorescence and TEM suggested the role of synthetic cobalt complexes in inhibiting Tau aggregation. CD spectroscopy showed that these complexes prevented conformational changes in Tau to beta-sheet. CBMCs were not toxic at lower concentrations and formed non-toxic Tau species. L1 and L2 prevented membrane leakage: whereas, higher concentrations of L3 caused membrane leakage as observed by LDH release assay. The overall results indicate the synthetic cobalt complexes to be a promising molecule against AD. (C) 2020 Elsevier B.V. All rights reserved.
}, keywords = {Alzheimer{\textquoteright}s disease, Cobalt-based metals, Tau Aggregation, Tau inhibition, Tau toxicity}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.02.278}, author = {Gorantla, V. Nalini and Balaraman, Ekambaram and Chinnathambi, Subashchandrabose} } @article {46853, title = {Co@CoAl-layered double hydroxide/nitrogen-doped graphene composite catalyst for Al-H2O-based batteries: simultaneous hydrogen production and electricity generation}, journal = {ChemElectroChem}, volume = {7}, year = {2020}, month = {JUN}, pages = {2582-2591}, type = {Article}, abstract = {
Currently, the low energy efficiency of water electrolysis has compelled research toward the development of novel and energy-effective strategies for low-cost H-2 generation. In this context, we report a new concept of simultaneous H-2 and electricity generation by separating out the exothermic self-sustained Al-H2O reaction via electrochemistry. In addition, to catalyze the cathodic water reduction reaction, a single-pot and environmentally benign synthesis method is adopted. It results in the design of an electrocatalyst composed of Co@CoAl-layered double hydroxide core-shell nanospheres anchored over in situ generated N-doped graphene. Toward the water reduction reaction, the designed catalyst shows a negative voltage shift of mere around 113 mV with respect to the commercial Pt/C catalyst to reach the benchmark 10 mA cm(-2), with excellent stability of approximately 86 \% voltage retention after 12 h of continuous operation. The catalytic superiority of our material is evident when taken for battery-level testing; the fabricated device was able to deliver an average output voltage of around 0.95 V at a discharge current density of 5 mA cm(-2) along with H-2 liberation, which was also detected and quantified through gas chromatography.
}, keywords = {Al-H2O fuel cells, chronopotentiometry, core-shell structures, hydrogen evolution reaction, layered double hydroxides}, issn = {2196-0216}, doi = {10.1002/celc.202000502, Early Access Date = MAY 2020}, author = {Nadeema, Ayasha and Pandurang Kharabe, Geeta and Prakash Biswal, Dibya and Kurungot, Sreekumar} } @article {47151, title = {Co-gasification of high ash coal{\textendash}biomass blends in a fluidized bed gasifier: }, journal = {Waste and Biomass Valorization }, volume = {11}, year = {2020}, month = {JAN}, pages = {323{\textendash}341}, type = {Article}, abstract = {
Co-gasification (COG) is a clean-coal technology that uses a binary blend of coal and biomass for generating the\ product gas; it is environment-friendly since it emits lesser quantities of pollutants compared to the coal gasification process. Although coals found in many countries contain high percentages of ash, co-gasification studies involving such coals, and the process modeling thereof, are rare. Accordingly, this study presents results of the co-gasification experiments conducted in a fluidized-bed gasifier (FBG) pilot plant using as a feed the blends of high ash Indian coals with three biomasses, namely, rice husk, press mud, and sawdust. Since the underlying physicochemical phenomena are complex and nonlinear, modeling of the COG process has been performed using three\ computational intelligence (CI)-based methods namely, genetic programming, artificial neural networks, and support vector regression. Each of these formalisms was employed separately to develop models predicting four COG performance variables, namely, total gas yield, carbon conversion efficiency, heating value of product gas, and cold gas efficiency. All the CI-based models exhibit an excellent prediction accuracy and generalization performance. The co-gasification experiments and their modeling presented here for a pilot-plant FBG can be gainfully utilized in the efficient design and operation of the corresponding commercial scale co-gasifiers utilizing high ash coals.
}, author = {Tiwary, Shishir and Ghugare, Suhas B. and Chavan, Prakash D. and Saha, Sujan and Datta, Sudipta and Sahu, Gajanan and Tambe, Sanjeev S.} } @article {46816, title = {Combinatorial approach through in vitro regeneration and phytochemical profiling of ceropegia media (huber) ans.: a potential way forward in the conservation of an endangered medicinal plant from the western ghats in India}, journal = {Journal of Plant Growth Regulation}, year = {2020}, month = {JUN }, type = {Article; Early Access 2020}, abstract = {
Ceropegia mediais an endemic and endangered plant as its propagation through seeds is unreliable due to low germination, slow growth and seedling decay under natural conditions. Also, tubers of this plant are edible serving as carbohydrate source with medicinal values leading to severe population decline in the natural habitat. To provide a sustainable solution, an efficient in vitro propagation protocol along with phytochemical profiling was developed forC. media. Callus cultures were induced from seedling and wild leaf tissues using the most effective Murashige and Skoog{\textquoteright}s (MS) medium with 2,4-dichlorophenoxyacetic acid (2,4-D; 2 mu M) and sucrose (3\%). Somatic embryos were acquired on MS medium with 1 mu M 6-Benzylaminopurine (BAP) and 1 mu M 2,4-D. Conversion into plantlets was attained only from tissue culture-derived seedling leaf (TCDSL) explant. Further, in vitro tuberization was achieved from TCDSL callus with BAP and Naphthalene acetic acid (NAA). AgNO(3)as an elicitor had a positive effect on both fresh and dry weights of callus. Successful acclimatization (58\%) was attained after two months resulting in normal phenotype in pots. Further, metabolite profiles of ten different tissues from wild and in vitro plants were compared. Total 82 compounds comprising alkaloids, fatty acids, fatty acid ester, steroids, terpenes and hydrocarbons were identified. Overall, results suggested enhanced production of selected metabolites with in vitro propagation and AgNO3, alleviating the problem of unavailability of planting materials. Thus, the current study might offer potential ways for the conservation of such RED enlisted species asC. media. [GRAHICS]
}, keywords = {Ceropegia media, GC-MS, Microtuberization, Secondary metabolites, Silver nitrate, somatic embryogenesis}, issn = {0721-7595}, doi = {10.1007/s00344-020-10173-6, Early Access Date = JUN 2020}, author = {Pandey, Meena and Dholakia, Bhushan B. and Jayaramaiah, Ramesha H. and Punekar, Sachin A. and Giri, Ashok P.} } @article {46979, title = {Comparative proteomics unravels the differences in salt stress response of own-rooted and 110R-grafted thompson seedless grapevines}, journal = {Journal of Proteome Research}, volume = {19}, year = {2020}, month = {FEB}, pages = {583-599}, type = {Article}, abstract = {
Thompson Seedless, a commonly grown table grape variety, is sensitive to salinity when grown on its own roots, and therefore, it is frequently grafted onto salinity-tolerant wild grapevine rootstocks. Rising soil salinity is a growing concern in irrigated agricultural systems. The accumulation of salts near the root zone severely hampers plant growth, leading to a decrease in the productive lifespan of grapevine and causing heavy yield losses to the farmer. In the present study, we investigated the differences in response to salinity between own-rooted Thompson Seedless (TSOR) and 110R-grafted Thompson Seedless (TS110R) grapevines, wherein 110R is reported to be a salt-tolerant rootstock. The grapevines were subjected to salt stress by treating them with a 150 mM NaCl solution. The stress-induced changes in protein abundance were investigated using a label-free shotgun proteomics approach at three time points viz. 6 h, 48 h, and 7 days of salt treatment. A total of 2793 proteins were identified, of which 246 were differentially abundant at various time-points in TSOR and TS110R vines. The abundance of proteins involved in several biological processes such as photosynthesis, amino acid metabolism, translation, chlorophyll biosynthesis, and generation of precursor metabolites was significantly affected by salt stress in both the vines but at different stages of stress. The results revealed that TSOR vines responded fervently to salt stress, while TS110R vines adopted a preventive approach. The findings of this study add to the knowledge of salinity response in woody and grafted plants and hence open the scope for further studies on salt stress-specific differences induced by grafting.
}, keywords = {110R rootstock, gene ontology, grafting, label-free proteomics, salt stress, Vitis vinifera}, issn = {1535-3893}, doi = {10.1021/acs.jproteome.9b00420}, author = {Patil, Sucheta and Shinde, Manisha and Prashant, Ramya and Kadoo, Narendra and Upadhyay, Anuradha and Gupta, Vidya} } @article {46698, title = {Comprehensive metagenomic insights into a unique mass gathering and bathing event reveals transient influence on a riverine ecosystem}, journal = {Ecotoxicology and Environmental Safety}, volume = {202}, year = {2020}, month = {OCT }, pages = {110938}, type = {Article}, abstract = {
The religious mass gathering and bathing can pose a multitude of significant public health challenges and lead to severe alterations in the river microbial ecology. The Pandharpur Wari is an annual pilgrimage of Maharashtra, India, where millions of devotees carry the footprints of the saint-poets and pay their obeisance to Lord Vitthal on the 11th day of moon{\textquoteright}s waxing phase (Ashadi Ekadashi). As a part of the ritual, the engrossed devotees, walk over 250 km, take a first holy dip in a sacred river Indrayani at Alandi and secondly in Bhima River at Pandharpur. The MinION-based shotgun metagenomic approach was employed to examine the impact of spiritual mass bathing on environmental changes (concerning the river microbial community structure and functions); and public health aspects (in terms of changes in the pathogenic potential and antibiotic resistance). The analysis of bathing and post-bathing samples of both the rivers revealed alterations in the alpha and beta diversity, indicating significant spatiotemporal variations in the overall microbial structure and function. Furthermore, the analysis revealed up to 80\% of differences in the abundance of virulence genes between the bathing and post bathing samples. We observed parallel increase of priority skin and enteric pathogens (ranging from 11\% to 80\%) such as Acinetobacter baumannii, Staphylococcus aureus, Streptococcus pyogenes, Mycobacterium tuberculosis, and Pseudomonas aeruginosa during the bathing event. Moreover, we observed a significant increase in the antibiotic resistance in the bathing samples of Bhima and Indrayani rivers respectively. Altogether, this is the first comprehensive metagenomic study unravelling the influence of religious mass-bathing on the riverine ecosystem.
}, keywords = {Antibiotic resistance, Mass bathing, MinION sequencing, Priority pathogens, Virulence genes}, issn = {0147-6513}, doi = {10.1016/j.ecoenv.2020.110938}, author = {Yadav, Rakeshkumar and Rajput, Vinay and Gohil, Kushal and Khairnar, Krishna and Dharne, Mahesh} } @article {46941, title = {Concise enantioselective synthesis of (R)-(+)-goniothalamin oxide, a trypanocidal active agent via L-prolinol catalyzed asymmetric epoxidation of cinnamaldehyde}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {59}, year = {2020}, month = {MAR}, pages = {393-398}, type = {Article}, abstract = {
A short and straight-forward enantioselective synthesis of (R)-(+)-goniothalamin oxide 2 has been achieved with an overall yield of 39\% and 99\% ee. The synthetic approach involves L-prolinol catalyzed asymmetric epoxidation of cinnamaldehyde followed by Lewis acid-mediated diastereoselective allylation of epoxy aldehyde as the key chiral-inducing steps.
}, keywords = {Allylation, asymmetric epoxidation, Esterification, Grubbs{\textquoteright} catalyst, L-prolinol catalyst, Ring closing metathesis}, issn = {0376-4699}, author = {Kumar, B. Senthil and Mandle, Ram D. and Kamble, Sanjay P. and Sudalai, Arumugam} } @article {46824, title = {Conjunctive photoluminescence enhancement through plasmonic and photonic band-gap pathways in a chiral self-assembled system}, journal = {ChemPhotoChem}, volume = {4}, year = {2020}, month = {AUG}, pages = {582-591}, type = {Article}, abstract = {
We describe two parallel pathways for enhancing the intrinsic photoluminescence of an organic emitter dispersed in a liquid crystal (LC) medium. The pathways have independent origins: (i) Metal enhanced fluorescence (MEF) incorporating gold nanoparticles having an organic shell of pro-mesogenic cholesterol esters; and (ii) Matching the photonic band gap (PBG) due to the helical structure in a self-assembled chiral system with the excitation wavelength. This unprecedented combination of both pathways achieves a level of photoluminescence exceeding the sum of the contribution from the individual methods. This conjunctive protocol results in an overall enhancement by a factor of 37 between the emitter dispersed in a non-chiral LC and that appealing to both MEF and PBG pathways. Circular polarized luminescence measurements also show that this protocol helps in effective discrimination of chiral light achieving a large dissymmetry factor whose magnitude (+0.33) is comparable to the highest recorded to date. Electric field switching between two states is also shown to result in appreciable fluorescence modulation. Being generic in nature the protocol employed can be adapted to a variety of situations with the large magnitude as well the modulation level suitable for applications such as biosensors, various analyte detection, and other photonic devices.
}, keywords = {chirality, circularly polarized luminescence, liquid crystals, photonic band-gap, plasmonics}, issn = {2367-0932}, doi = {10.1002/cptc.202000077, Early Access Date = JUN 2020}, author = {Baral, Marlin and Krishna Prasad, S. and Bhat, Sachin A. and Nayak, Rashmi A. and Yelamaggad, C. V.} } @article {46867, title = {Connecting microscopic structures, mesoscale assemblies, and macroscopic architectures in 3D-printed hierarchical porous covalent organic framework foams}, journal = {Journal of the American Chemical Society}, volume = {142}, year = {2020}, month = {MAY }, pages = {8252-8261}, type = {Article}, abstract = {
The induction of macro and mesopores into two-dimensional porous covalent organic frameworks (COFs) could enhance the exposure of the intrinsic micropores toward the pollutant environment, thereby, improving the performance. However, the challenge is to build a continuous hierarchically porous macro-architecture of crystalline organic materials in the bulk scale. In this regard, we have strategized a novel synthetic method to create hierarchically porous COF foams consisting of ordered micropores (2-2.2 nm) and disordered meso and macropores (50 nm to 200 mu m) as well as ordered macropores (1.5 mm to 2 cm). Herein, graphene oxide was used for creating disordered macro and mesopores in COF-GO foams. Considering the rheological features of the precursor hydrogel, we could integrate crystalline and porous COF-GO foams into self-supported three-dimensional (3D)-printed objects with the desired shapes and sizes. Therefore, we have engineered the 3D macro-architecture of COF-GO foams into complex geometries keeping their structural order and continuous porosity intact over a range of more than a million (10(-9) m to 10(-3) m). The interconnected 3D openings in these COF-GO foams further enhance the rapid and efficient uptake of organic and inorganic pollutants from water (\>95\% removal within 30 s). The abundant distribution of interconnected macroporous volume (55\%) throughout the COF-GO foam matrix enhances the flow of water (1.13 x 10(-3) m.s(-1)) which results in efficient mass transport and adsorption.
}, issn = {0002-7863}, doi = {10.1021/jacs.0c00555}, author = {Mohammed, Abdul Khayum and Usgaonkar, Saurabh and Kanheerampockil, Fayis and Karak, Suvendu and Halder, Arjun and Tharkar, Minakshi and Addicoat, Matthew and Ajithkumar, Thalasseril G. and Banerjee, Rahul} } @article {46921, title = {Construction of unique SCF3-containing building blocks via allylic alkylation of Morita-Baylis-Hillman adducts}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {MAR }, pages = {2085-2093}, type = {Article}, abstract = {
Lewis base-catalyzed allylic alkylation of Morita-Baylis-Hillman adducts with alpha-SCF3 ketones has been demonstrated. The developed strategy provides efficient access to a series of highly functionalized scaffolds featuring trifluoromethanesufinyl motif on a stereogenic carbon.
}, issn = {1477-0520}, doi = {10.1039/d0ob00104j}, author = {Halder, Priyanka and Pol, Mahesh D. and Ahire, Milind M. and Mhaske, Santosh B.} } @inbook {47145, title = {Continuous Flow Synthesis of Nanomaterials}, booktitle = {Continuous Flow Synthesis of Nanomaterials}, volume = {62}, number = {RSC Green Chemistry Series}, year = {2020}, pages = {316-339}, publisher = {Royal Society of Chemistry}, organization = {Royal Society of Chemistry}, author = {Kulkarni, Amol A. and Jundale, R. B.} } @article {46963, title = {Continuous interfacial centrifugal separation and recovery of silver nanoparticles}, journal = {Chemical Engineering \& Technology}, volume = {43}, year = {2020}, month = {MAR}, pages = {582-592}, type = {Article}, abstract = {
Continuous-flow separation and recovery of silver nanoparticles (AgNPs) using an annular centrifugal extractor (ACE) is demonstrated. Separation was achieved at the liquid-liquid interface based on the balance between centrifugal force and the solubility of the capping agent. A mathematical model is presented to understand the mechanism in greater detail. The separation of poly(vinylpyrrolidone) (PVP)-coated AgNPs in an ACE using a strong immiscible solvent was performed. The material accumulated at the interface was separated periodically without discontinuing the operation. The method is also suitable for separation of large particles or 1D/2D nanostructures even employing a single annular centrifugal extractor. Stable AgNPs were selected for a detailed antimicrobial activity study.
}, keywords = {Annular centrifugal extractor, Antimicrobial activity, Continuous-flow separation, Liquid-liquid interface, silver nanoparticles}, issn = {0930-7516}, doi = {10.1002/ceat.201800722, Early Access Date = FEB 2020}, author = {Deshpande, Jaydeep B. and Navale, Govinda R. and Dharne, Mahesh S. and Kulkarni, Amol A.} } @article {46964, title = {Continuous time random walk concepts applied to extended mode coupling theory: a study of the Stokes? Einstein breakdown}, journal = {Journal of Physics-Condensed Matter}, volume = {32}, year = {2020}, month = {FEB}, pages = {064001}, type = {Article}, abstract = {
In an attempt to extend the mode coupling theory (MCT) to lower temperatures, some years back an Unified theory was proposed which within the MCT framework incorporated the activated dynamics via the random first order transition theory (RFOT). The theory successfully showed that there is hopping induced diffusive dynamics and the modified MCT coupled to the activated motion continues till low temperatures. Here we show that the theory although successful in describing other properties of supercooled liquids is unable to capture the Stokes?Einstein breakdown. We then show using continuous time random work (CTRW) formalism that the Unified theory is equivalent to a CTRW dynamics in presence of two waiting time distributions. It is known from earlier work on CTRW that in such cases the total dynamics is dominated by the fast motion. This explains the failure of the Unified theory in predicting the SE breakdown as both the structural relaxation and the diffusion process are described by the comparatively fast MCT like dynamics. The study also predicts that other forms of extended MCT with Markovian hopping kernel will face a similar issue. We next modify the Unified theory by applying the concept of renewal theory, usually used in CTRW models where the distribution has a long tail. According to this theory the first jump given by the persistent time is slower than the subsequent jumps given by the exchange time. We first show that for systems with two waiting time distributions even when both the distributions are exponential the persistent time is larger than the exchange time. We also identify the persistent time with the slower activated process. The extended Unified theory can now explain the SE breakdown. In this extended theory at low temperatures the structural relaxation is described by the activated dynamics whereas the diffusion is primarily determined by the MCT like dynamics leading to a decoupling between them. We also calculate a dynamic lengthscale from the wavenumber dependence of the relaxation time. We find that this dynamic length scale grows faster than the static length scale.
}, keywords = {continuous time random walk, mode coupling theory, Stokes?Einstein breakdown}, issn = {0953-8984}, doi = {10.1088/1361-648X/ab50d4}, author = {Nandi, Manoj Kumar and Bhattacharyya, Sarika Maitra} } @article {46872, title = {Controlled synthesis of two-dimensional (2-D) ultra-thin bismuth selenide (Bi2Se3) nanosheets by bottom-up solution-phase chemistry and its electrical transport properties for thermoelectric application}, journal = {FlatChem}, volume = {21}, year = {2020}, month = {MAY}, pages = {100165}, type = {Article}, abstract = {
Bismuth Selenide and associated compounds inheriting stacked layered structure represent a unique class of materials where bulks are insulating with conducting surfaces, best known as thermoelectric materials. The bottom-up solution-based approach is a convenient alternative producing ultrathin high quality two-dimensional Bi2Se3 nanosheets. The present investigation deals with glycol mediated synthesis of highly crystalline ultrathin Bi2Se3 nanosheets. The as-synthesized Bi2Se3 nanosheets exhibit a rhombohedral crystal structure with a substantial surface-to-volume ratio that can possess several potential applications. Besides, the ultrathin Bi2Se3 nanosheets produced herein, found to be n-type with robust spatial confinement of charge carriers advantageous for thermoelectric applications, delivering a high-power factor of 1.55 mu W/cmK(2) at 150 degrees C. The method demonstrates the generic feature of the solution phase technique for the synthesis of highly crystalline nanosheets allowing mass production of identical ultra-thin nanosheets that can be easily integrated into devices for several promising applications, including spintronics, energy storage, and topological quantum computation.
}, keywords = {Rhombohedral structure, Sheet-like structure, Thermoelectric nanomaterials, transmission electron microscopy, XPS Spectra}, issn = {2452-2627}, doi = {10.1016/j.flatc.2020.100165}, author = {Bin Masood, Khalid and Kumar, Pushpendra and Giri, Rajiv and Singh, Jai} } @article {46953, title = {Controlling and stabilization of Ru nanoparticles by tuning the nitrogen content of the support for enhanced H-2 production through aqueous-phase reforming of glycerol}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {FEB}, pages = {2489-2507}, type = {Article}, abstract = {
The stable activity of catalysts is an important issue in catalysis, particularly aqueous-phase reforming (APR) of renewable oxygenates, of biomass origin, to get H-2. Sintering of metal nanoparticles on supports affects catalyst stability. To alleviate this problem, a series of highly stable Ru-supported catalysts with controlled metal nanoparticle sizes have been prepared via the easy incipient wetness impregnation method. These catalysts were used for APR of glycerol to produce H-2. Nitrogen-doped mesoporous carbons (NMCs) were utlized as supports and found to have a strong influence on the catalytic performance of the catalysts. Incorporation of nitrogen in the carbon framework significantly enhanced the catalytic activity compared to Ru catalysts on nitrogen-free supports. Notably, the catalyst (5 wt \% Ru-NMC-3) with optimal N content (10.9 wt \%) demonstrated improved stability and H-2 selectivity, which are better than those of many state-of-the-art catalysts. Nitrogen in the carbon framework has a dual relationship with the activity of the catalyst: (i) it creates basic environment over the catalysts support and (ii) it acts as an anchoring site for metal nanoparticles. Anchoring of metal nanoparticles has helped to curb their sintering, thus leading to better stability of the catalysts under APR reaction conditions. Various characterization techniques were employed to understand the nature of active catalytic sites responsible for higher H-2 production while minimizing CO formation. In situ CO-FTIR studies showed that the higher catalytic activity of 5 wt \% Ru-NMC-3 catalyst was attributed to the enhanced WGS activity over this catalyst. Density functional theory calculations were performed to understand the stabilization of metal nanoparticles by different types of N present on the support and provide insights into the prefered sites of glycerol adsorption on the NMC support. Since S wt \% Ru-NMC-3 was the relatively best catalyst, it was selected for the preparation of bimetallic catalysts. Accordingly, addition of Pt to this system helped to increase the stability of the catalyst. This bimetallic catalyst may, therefore, find application for wide use in APR of biomass oxygenates.
}, keywords = {aqueous-phase reforming, Glycerol, H-2 production, Ru/NMC catalyst, synergistic effect}, issn = {2155-5435}, doi = {10.1021/acscatal.9b04063}, author = {Gogoi, Pranjal and Kanna, Narsimharao and Begum, Pakiza and Deka, Ramesh C. and Satyanarayana, C. V. V. and Raja, Thirumalaiswamy} } @article {46662, title = {Cooperative acid-base sites of solid Ba-Zr mixed oxide catalyst for efficient isomerization of glucose to fructose in aqueous medium}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {OCT}, pages = {12505-12513}, type = {Article}, abstract = {
Efficient and highly selective isomerization of glucose to fructose was achieved by using the inexpensive Ba-Zr mixed metal oxide catalyst. Catalyst was prepared by varying Ba-Zr ratios using co-precipitation method. Various phases formed, planes exposed, morphology, elemental composition and particle size, basic site density and strength, oxidation state of elements were well studied by using various characterization techniques. The XRD analysis clearly indicates the presence of Ba+2 and Zr+4 in the form of BaO, ZrO2 and BaZrO3 phases. The SEM and HR-TEM images indicate that, Ba-Zr (2 : 1) catalyst prepared showed uniform morphology with spherical and rod-shaped particles ranging from 300 to 600 nm. Under the optimized reaction conditions Ba-Zr (2 : 1) catalyst exhibited excellent results in terms of 57 \% of glucose conversion with 89 \% selective formation of glucose. The presence of both acidic as well as basic sites play vital roles in activating the substrate molecules to selectively yield fructose. Ba-Zr (2 : 1) catalyst showed excellent recyclability performance up to four recycles.
}, keywords = {Co-precipitation, fructose, glucose, isomerization, mixed metal oxide}, issn = {2365-6549}, doi = {10.1002/slct.202003071}, author = {Shaikh, Samrin S. and Patil, Chetana R. and Kondawar, Sharda E. and Rode, Chandrashekhar V.} } @article {46884, title = {Copper-catalyzed direct arylation of indoles and related (hetero)arenes: a ligandless and solvent-free approach}, journal = {Advanced Synthesis \& Catalysis}, volume = {362}, year = {2020}, month = {JUN }, pages = {2534-2540}, type = {Article}, abstract = {
A ligandless and solvent-free copper-catalyzed method for the regioselective C-H bond arylation of indoles and related heteroarenes is reported. The use of CuCl efficiently catalyzes the direct coupling of diverse heteroarenes with aryl iodides via chelation-assistance. This reaction could tolerate sensitive and structurally diverse functionalities, including halides, ethers, thioethers, amines, indolyl, pyrrolyl and carbazolyl groups. The directing group, 2-pyridinyl can be smoothly removed to generate C-2 arylated free-NH indoles, and the arylated indoles can further be functionalized into Tryptamine derivatives. Preliminary mechanistic study revealed a radical pathway for the arylation reaction.
}, keywords = {Arylation, C-H activation, Chelation-assistance, Copper, Indole, Solvent-free}, issn = {1615-4150}, doi = {10.1002/adsc.202000312, Early Access Date = APR 2020}, author = {Pandey, Dilip K. and Shabade, Anand B. and Punji, Benudhar} } @article {46760, title = {Correlation between multifunctional properties of lead free Iron doped BCT perovskite ceramics}, journal = {Ceramics International}, volume = {46}, year = {2020}, month = {AUG }, pages = {17495-17507}, type = {Article}, abstract = {
Present study investigates the effect of Fe doping on structural, microstructural, dielectric, ferroelectric, piezoelectric and magnetic properties of Barium calcium titanate (BCT) ceramics synthesized by solid state reaction route. The polycrystalline tetragonal structure of prepared ceramics was confirmed from XRD study. Analysis done using Rietveld refinement reveals reduction in lattice parameters as well as unit cell volume on substitution of Fe3+ ions in BCT lattice. Occurrence of four distinct Raman bands viz. 297 cm(-1) -302 cm(-1), 473 cm(-1)-475 cm(-1), 516 cm(-1) -524 cm(-1) and 729 cm(-1) -733 cm(-1) in Raman spectroscopic studies confirms the tetragonal phase of prepared ceramic compositions which are in accordance with XRD study. The Scanning Electron Microscopy analysis revealed polyhedral shaped grains whose average grain size decreased with increase in Fe content (x) in BCT ceramics. A diffused frequency independent phase transition was observed in temperature dependent dielectric measurements. Dielectric properties improved significantly, with shifting of transition temperature, T c close to room temperature with Fe doping. These studiessuggest applications of these ceramics in the development of environment friendly dielectric materials meeting X7R MLCCs specifications. The ferroelectric and piezoelectric properties of these ceramic compositions were found to decrease with increase in Fe concentration. Feeble room temperature ferromagnetism was observed for composition x = 0.020.
}, keywords = {BCT, dielectric response, Fe doping, ferroelectric properties, Lead free ceramics, Magnetic measurements}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2020.04.045}, author = {Redhu, Preeti and Punia, Rajesh and Hooda, Ashima and Malik, B. P. and Sharma, Geeta and Sharma, Preeti} } @article {46859, title = {Critical organic modifier aliphatic tail length for the formation of poly(methyl methacrylate)-montmorillonite nanocomposites}, journal = {Polymer Engineering and Science}, volume = {60}, year = {2020}, month = {JUL}, pages = {1604-1617}, type = {Article}, abstract = {
In this article, we report the influence of organic modifier structure (alkyl chain length C8-C20, single vs ditallow) and thereby, the effect of hydrophobicity on the structure, thermal and mechanical properties of poly(methyl methacrylate) (PMMA)-clay hybrids. Melt processed PMMA-clay hybrids were characterized using wide-angle X-ray diffraction, transmission electron microscopy, and differential scanning calorimetry. The organoclays having an alkyl chain length of more than 12 CH2 groups resulted in the formation of nanocomposites. The glass transition temperature (T-g) of PMMA increased in the presence of clay. The mean-field lattice model was used to predict the free energy for nanocomposite formation, which showed a reasonable match with the experimental results and provided a general guideline for the proper selection of polymer and organoclay (ie, organic modifier) to obtain nanocomposite. Tensile modulus showed maximum improvement of 58\% for the nanocomposites compared to 9\% improvement for the composites. Tensile modulus increased with increases in the alkyl chain length of the organic modifier and clay loading. The level of improvement for the tensile properties of nanocomposites prepared from primary and secondary ammonium-modified clay is the same as that obtained with the commercial organoclays.
}, keywords = {hybrid, mechanical properties, Montmorillonite, Nanocomposites, organoclay, poly(methyl methacrylate)}, issn = {0032-3888}, doi = {10.1002/pen.25405, Early Access Date = MAY 2020}, author = {Tiwari, Rajkiran R. and Natarajan, Upendra} } @article {47139, title = {Crystal structure of a 1:1 co-crystal of the anti-cancer drug gefitinib with azelaic acid }, journal = {Acta Crystallographica Section E: Crystallographic Communications}, volume = {76}, year = {2020}, month = {JUN}, pages = {884-888}, type = {Article}, abstract = {
In the title co-crystal, C22H24ClFN4O3{\textperiodcentered}C9H16O4, gefitinib (GTB; systematic name: quinazolin-4-amine) co-crystallizes with azelaic acid (AA; systematic name: nona-nedioic acid). The co-crystal has the monoclinic P21/n centrosymmetric space group, containing one mol-ecule each of GTB and AA in the asymmetric unit. A structure overlay of the GTB mol-ecule in the co-crystal with that of its most stable polymorph revealed a significant difference in the conformation of the morpholine moiety. The significant deviation in the conformation of one of the acidic groups of azelaic acid from its usual linear chain structure could be due to the encapsulation of one acidic group in the pocket formed between the two pincers of GTB namely, the morpholine and phenyl moieties. Both GTB and AA mol-ecules form N-H...O, O-H...N, C-H...O hydrogen bonds with C-H...F close contacts along with off-stacked aromatic π-π inter-actions between the GTB mol-ecules.
}, doi = {10.1107/S2056989020006623 }, author = {George, Christy P. and Sangtani, Ekta and Gonnade, Rajesh G.} } @article {47003, title = {Crystal-to-crystal synthesis of helically ordered polymers of trehalose by topochemical polymerization}, journal = {Angewandte Chemie-International Edition}, volume = {59}, year = {2020}, month = {FEB}, pages = {2897-2903}, type = {Article}, abstract = {
The synthesis of crystalline helical polymers of trehalose via topochemical azide-alkyne cycloaddition (TAAC) of a trehalose-based monomer is presented. An unsymmetrical trehalose derivative having azide and alkyne crystallizes in two different forms having almost similar packing. Upon heating, both the crystals undergo TAAC reaction to form crystalline polymers. Powder X-ray diffraction (PXRD) studies revealed that the monomers in both the crystals polymerize in a crystal-to-crystal fashion; circular dichroism (CD) studies of the product crystals revealed that the formed polymer is helically ordered. This solvent-free, catalyst-free polymerization method that eliminates the tedious purification of the polymeric product exemplifies the advantage of topochemical polymerization reaction over traditional solution-phase polymerization.
}, keywords = {Click reaction, helical polymers, polysaccharide, topochemical reactions, trehalose}, issn = {1433-7851}, doi = {10.1002/anie.201914164, Early Access Date = JAN 2020}, author = {Hema, Kuntrapakam and Gonnade, Rajesh G. and Sureshan, Kana M.} } @article {46876, title = {Cu-Ni bimetal integrated TiO2 thin film for enhanced solar hydrogen generation}, journal = {Solar RRL}, volume = {4}, year = {2020}, month = {MAY}, pages = {1900557}, type = {Article}, abstract = {
A series of non-noble Cu-Ni bimetallic catalysts is prepared with different molar proportions of metals. Of these bimetallic catalysts, 1 wt\% is subsequently integrated with titania P25. The catalysts are evaluated for solar hydrogen generation under 1 sun condition in both the powder and thin film forms. All the photocatalysts in the thin film exhibit an 8-24 times higher hydrogen yield (HY) compared with the corresponding particulate counterpart. The highest HY (41.7 mmol h(-1) g(-1)) is demonstrated for the photocatalyst Cu-Ni/TiO2 (CNT; 1:1 = Cu:Ni) in the thin film form, which is 24 times higher than that with its powder counterpart (1.75 mmol h(-1) g(-1)) and exceeds the performance of other Cu-Ni/TiO2 compositions. This enhanced activity in the thin film can be ascribed to improved absorption of visible light and an effective separation of photogenerated charge carriers at the interface of Cu-Ni/TiO2 leading to better charge carrier utilization.
}, keywords = {bimetals, energy conversion, Hydrogen, Photocatalysis, solar energy}, issn = {2367-198X}, doi = {10.1002/solr.201900557}, author = {Tudu, Bijoy and Nalajala, Naresh and Saikia, Pranjal and Gopinath, Chinnakonda S.} } @article {46679, title = {Cyanosilylation by compounds with main-group elements: an odyssey}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {OCT}, pages = {25477-25484}, type = {Review}, abstract = {
The past few decades have seen remarkable headways in the structural and reaction chemistry of compounds with heavier main-group elements. In recent years, there is an ongoing effort to derive catalytic chemistry involving main-group compounds, driven by their lower costs and higher terrestrial abundances. Here, a survey on the state-of-the-art in the development of cyanosilylation methodology by compounds with heavier main-group elements has been given. Once dominated by transition metals, the field has matured to embrace the majority of the main-group elements including aluminum, silicon, and calcium. Of particular focus will be how the mechanism of cyanosilylation involving compounds with main-group elements differs from those of transition metals.
}, issn = {2470-1343}, doi = {10.1021/acsomega.0c03293}, author = {Pahar, Sanjukta and Kundu, Gargi and Sen, Sakya S.} } @article {47314, title = {Deciphering taxonomic and functional diversity of fungi as potential bioindicators within confluence stretch of Ganges and Yamuna Rivers, impacted by anthropogenic activities}, journal = {Chemosphere}, volume = {252}, year = {2020}, month = {AUG}, type = {Article}, abstract = {
River confluences are interesting ecological niche with limited information in respect of the structure and the functions of diverse microbial communities. Fungi are gaining global attention as promising biological spectacles for defining the trophic status of riverine systems. We condense existing knowledge in confluence diversity in two Indian rivers (i.e. Ganges and Yamuna), by combining sediment metagenomics using long read aided MinION nanopore sequencing. A total of 63 OTU{\textquoteright}s were observed, of which top 20 OTU{\textquoteright}s were considered based on relative abundance of each OTU at a particular location. Fungal genera such as\ Aspergillus, Penicillium,\ Kluveromyces, Lodderomyces,\ and\ Nakaseomyces\ were deciphered as potential bio indicators of river pollution and eutrophication in the confluent zone.\ In silico\ functional gene analysis uncovered hits for neurodegenerative diseases and xenobiotic degradation potential, supporting bioindication of river pollution in wake of anthropogenic intervention.
}, doi = {10.1016/j.chemosphere.2020.126507}, author = {Samson, Rachel and Rajput, Vinay and Shah, Manan and Yadav, Rakeshkumar and Sarode, Priyanka and Dastager, Syed G. and Dharne, Mahesh S. and Khairnar, Krishna} } @article {46480, title = {Degradation of metaldehyde in aqueous solution by nano-sized photocatalysts and granular activated carbon}, journal = {Journal of Nanoscience and Nanotechnology }, volume = {20}, year = {2020}, month = {July }, pages = {4505-4508}, type = {Article}, abstract = {
Metaldehyde has been detected in drinking water system in relatively high concentration exceeding European water quality standard. In order to address this problem, the aim of this project was to treat metaldehyde aqueous solution by advanced oxidation processes (AOPs) and granular activated carbon (GAC) column. Ten novel materials were tested for degradation rates of metaldehyde under ultraviolet light irradiation (UVC). For treatment of 1 mg/L metaldehyde solution by AOPs, the highest degradation rate is 16.59\% under UVC light with the aid of nitrogen doped titanium dioxide coated graphene (NTiO2/Gr). Furthermore, 0.5 mg/L is the optimal concentration for degradation of metaldehyde with N-TiO2/Gr under UVC light. Apart from that, the lifetime of GAC column could be elongated on condition that metaldehyde has been treated by AOPs previously. Hence, combination of AOPs and GAC column is promising in treating water containing metaldehyde.
}, doi = {10.1166/jnn.2020.17595}, author = {Kim, Jong Kyu and Jiang, Tingting and Li, Zhoujun and Mayadevi, Suseeladevi and Bharat, Kale and Joo, Jin Chul and Campos, Luiza Cintra} } @article {46841, title = {Design, expression, and evaluation of novel multiepitope chimeric antigen of Wuchereria bancrofti for the diagnosis of lymphatic filariasis - A structure-based strategy}, journal = {International Immunopharmacology}, volume = {83}, year = {2020}, month = {JUN}, pages = {106431}, type = {Article}, abstract = {
The Global Program for Elimination Lymphatic Filariasis (GPELF) is in an advanced stage and requires tools for diagnosing infection, assessing transmission and certification. This study was aimed at developing an antibody-based assay using a chiemric antigen containing multi-B-cell epitopes from antigens highly expressed in different stages of Wuchereria bancrofti to detect LF infection and its transmission. The antigen was express cloned and two indirect ELISA based (IgG1 \& IgG4 based) antibody assays were developed using the recombinant antigen. The chimeric antigen displayed 1 and 3-fold reactivity with IgG1 and IgG4 antibodies, respectively in microfilaraial (mf) positive sera when compared to that in sera samples of Non-endemic normal sera (NEN) (O.D, 0.13 +/- 0.20 and 0.18 +/- 0.07), thus differentiating infected from uninfected individuals. In IgG1 and IgG4 antibody assays, the multiepitope antigen also showed reactivity (O.D, 0.27 +/- 0.18 and 0.16 +/- 0.03) in a small proportion (18 and 30, respectively out of 156) endemic normal individuals and in IgG1 antibody in a few (4) chronic patients (CP). The antigen did not react with IgG1 or IgG4 antibodies in the sera samples of malaria, scrub typhus, dengue, hookworm, and roundworm helminth cases (0.139 +/- 0.018, 0.144 +/- 0.007 0.17804 +/- 0.007 and 0.162 +/- 0.006), thus showing its high specificity. The sensitivity (\%) and specificity (\%) of the multi-epitope antigen-based IgG1 and IgG4 antibody assays are 100, 98.1 and 100, 99.52, respectively. Thus, the recombinant multiepitope antigen appears to have good potential in detecting active LF infection and in assessing its transmission in endemic communities.
}, keywords = {Filariasis, Multi-epitope antigen, Serodiagnosis, Transmission}, issn = {1567-5769}, doi = {10.1016/j.intimp.2020.106431}, author = {Yasin, Nazeer and Laxmanappa, Hoti Sugerappa and Muddapur, Uday M. and Cheruvathur, Jennifer and Prakash, S. M. Uday and Thulasiram, Hirekodathakallu Venkataramaiah} } @article {47013, title = {Design of novel drug-like molecules using informatics rich secondary metabolites analysis of Indian medicinal and aromatic plants}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {23}, year = {2020}, month = {JAN}, pages = {1113-1131}, type = {Article}, abstract = {
Background: Several medicinal plants are being used in Indian medicine systems from ancient times. However, in most cases, the specific molecules or the active ingredients responsible for the medicinal or therapeutic properties are not yet known. Objective: This study aimed to report a computational protocol as well as a tool for generating novel potential drug candidates from the bioactive molecules of Indian medicinal and aromatic plants through the chemoinformatics approach. Methods: We built a database of the Indian medicinal and aromatic plants coupled with associated information (plant families, plant parts used for the medicinal purpose, structural information, therapeutic properties, etc.) We also developed a Java-based chemoinformatics open-source tool called DoMINE (Database of Medicinally Important Natural products from plantaE) for the generation of virtual library and screening of novel molecules from known medicinal plant molecules. We employed chemoinformatics approaches to in-silico screened metabolites from 104 Indian medicinal and aromatic plants and designed novel drug-like bioactive molecules. For this purpose, 1665 ring containing molecules were identified by text mining of literature related to the medicinal plant species, which were later used to extract 209 molecular scaffolds. Different scaffolds were further used to build a focused virtual library. Virtual screening was performed with cluster analysis to predict drug-like and lead-like molecules from these plant molecules in the context of drug discovery. The predicted drug-like and lead-like molecules were evaluated using chemoinformatics approaches and statistical parameters, and only the most significant molecules were proposed as the candidate molecules to develop new drugs. Results and Conclusion: The supra network of molecules and scaffolds identifies the relationship between the plant molecules and drugs. Cluster analysis of virtual library molecules showed that novel molecules had more pharmacophoric properties than toxicophoric and chemophoric properties. We also developed the DoMINE toolkit for the advancement of natural product-based drug discovery through chemoinformatics approaches. This study will be useful in developing new drug molecules from the known medicinal plant molecules. Hence, this work will encourage experimental organic chemists to synthesize these molecules based on the predicted values. These synthesized molecules need to be subjected to biological screening to identify potential molecules for drug discovery research.
}, keywords = {Drugs, medicinal plants, Metabolites, scaffolds, text mining, virtual libraries, virtual screening}, issn = {1386-2073}, doi = {10.2174/1386207323666200606211342}, author = {Karade, Divya and Vijayasarathi, Durairaj and Kadoo, Narendra and Vyas, Renu and Ingle, P. K. and Karthikeyan, Muthukumarasamy} } @article {46620, title = {Destroying antimicrobial resistant bacteria (AMR) and difficult, opportunistic pathogen using cavitation and natural oils/plant extract}, journal = {Ultrasonics Sonochemistry}, volume = {69}, year = {2020}, month = {DEC}, pages = {105272}, type = {Article}, abstract = {
The present study reports, for the first time, a new and techno-economic strategy for effective removal of antimicrobial resistant bacteria (AMR) and difficult, opportunistic pathogen using cavitation and natural oils/plant extract. A hybrid methodology using natural oils of known health benefits has been discussed in combination with conventional physico-chemical method of hydrodynamic cavitation that not only provides efficient and effective water disinfection, but also eliminates harmful effects of conventional methods such as formation of disinfection by-products apart from reducing cost of treatment. A proof-of concept is demonstrated by achieving exceptionally high rates for practically complete removal of antimicrobial resistant (AMR) and relatively less researched, gram-negative opportunistic pathogen, Pseudomonas aeruginosa and gram-positive methicillin resistant, Staphylococcus aureus using a natural oil-Peppermint oil and two different cavitating reactors employing vortex flow (vortex diode) and linear flow (orifice) for hydrodynamic cavitation. \> 99\% disinfection could be obtained, typically in less than 10 min, using vortex diode with operating pressure drop of 1 bar and low dose of 0.1\% peppermint oil as an additive, depicting very high rates of disinfection. The rate of disinfection can be further increased by using simple aeration which can result in significant lowering of oil dose. The conventional device, orifice requires relatively higher pressure drop of 2 bar and comparatively more time (similar to 20 min) for disinfection. The cost of the disinfection was also found to be significantly lower compared to most conventional processes indicating techno-economic feasibility in employing the developed hybrid method of disinfection for effectively eliminating bacteria including AMR bacteria from water. The developed approach not only highlights importance of going back to nature for not just conventional water disinfection, but also for eliminating hazardous AMR bacteria and may also find utility in many other applications for the removal of antimicrobial bacteria.
}, keywords = {AMR bacteria, Cavitation, Disinfection, Oil, Water treatment}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2020.105272}, author = {Mane, Maya B. and Bhandari, Vinay M. and Balapure, Kshama and Ranade, Vivek V.} } @article {46733, title = {Development of a smart scaffold for sequential cancer chemotherapy and tissue engineering}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {AUG}, pages = {20724-20733}, type = {Article}, abstract = {
The fabrication of a dual-functional drug-containing porous polymeric scaffold by layer-by-layer surface modification involving citrate-stabilized gold nanoparticles and cisplatin molecules is being reported. These scaffolds were characterized by electron microscopy and X-ray photoelectron spectroscopy. The capability of the scaffolds to release hydrated cisplatin in a slow and sustained manner over two days is established. Most importantly, the scaffolds turn nontoxic and cell-friendly after drug release, thus allowing the noncancerous fibroblast cells to adhere and proliferate (from 5000 cells to 16,000 cells in 6 days), becoming a potential solution toward an effective drug-carrying scaffold for volume-filling applications. The scaffold-mediated cancer cell killing and fibroblast cell proliferation were confirmed by fluorescence microscopy imaging, flow cytometry, and cell proliferation assays. We surmise that such a dual-purpose (drug-delivery and volume-filler) scaffold could help avoid the multiple surgical interventions needed for tumor surgery and cosmetic corrections. To the best of our knowledge, this is the first example of scaffolds with such a dual functionality which gets manifested in a sequential manner.
}, issn = {2470-1343}, doi = {10.1021/acsomega.9b03694}, author = {Sengupta, Poulomi and Agrawal, Vinay and Bhagavatula L. V. Prasad} } @article {47009, title = {Development of multiple reaction monitoring assay for quantification of carnosine in human plasma}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN }, pages = {763-769}, type = {Article}, abstract = {
Carnosine, a histidine containing dipeptide, exerts beneficial effects by scavenging reactive carbonyl compounds (RCCs) that are implicated in pathogenesis of diabetes. However, the reduced carnosine levels may aggravate the severity of diabetes. The precise quantification of carnosine levels may serve as an indicator of pathophysiological state of diabetes. Therefore, we have developed a highly sensitive targeted multiple reaction monitoring (MRM) method for quantification of carnosine in human plasma samples. Various mass spectrometry parameters such as ionization of precursor, fragment abundance and stability, collision energy, tube lens offset voltage were optimized to develop a sensitive and robust assay. Using the optimized MRM assay, the lower limit of detection (LOD) and limit of quantification (LOQ) for carnosine were found to be 0.4 nM and 1.0 nM respectively. Standard curves were constructed ranging from 1.0 nM to 15.0 mu M and the levels of carnosine in mice and human plasma were determined. Further, the MRM assay was extended to study carnosine hydrolyzing activity of human carnosinases, the serum carnosinase (CN1) and the cytosolic carnosinase (CN2). CN1 showed three folds higher activity than CN2. The MRM assay developed in this study is highly sensitive and can be used for basal plasma carnosine quantification, which can be developed as a novel marker for scavenging of RCCs in diabetes.
}, doi = {10.1039/c9ra08532g}, author = {Pandya, Vaibhav Kumar and Sonwane, Babasaheb and Rathore, Rajeshwari and Unnikrishnan, A. G. and Kumaran, Sangaralingam and Kulkarni, Mahesh J.} } @article {46931, title = {DFT/NMR approach for the configuration assignment of groups of stereoisomers by the combination and comparison of experimental and predicted sets of data}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {MAR}, pages = {3297-3306}, type = {Article}, abstract = {
Quantum mechanical/nuclear magnetic resonance (NMR) approaches are widely used for the configuration assignment of organic compounds generally comparing one cluster of experimentally determined data (e.g., C-13 NMR chemical shifts) with those predicted for all possible theoretical stereoisomers. More than one set of experimental data, each related to a specific stereoisomer, may occur in some cases, and the accurate stereoassignments can be obtained by combining the experimental and computed data. We introduce here a straightforward methodology based on the simultaneous analysis, combination, and comparison of all sets of experimental/calculated C-13 chemical shifts for aiding the correct configuration assignment of groups of stereoisomers. The comparison of the differences between the calculated/experimental chemical shifts instead of the shifts themselves led to the advantage of avoiding errors arising from calibration procedures, reducing systematic errors, and highlighting the most diagnostic differences between calculated and experimental data. This methodology was applied on a tetrad of synthesized cladosporin stereoisomers (cladologs) and further corroborated on a tetrad of pochonicine stereoisomers, obtaining the correct correspondences between experimental and calculated sets of data. The new MAE(Delta Delta delta) parameter, useful for indicating the best fit between sets of experimental and calculated data, is here introduced for facilitating the stereochemical assignment of groups of stereoisomers.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.9b03129}, author = {Lauro, Gianluigi and Das, Pronay and Riccio, Raffaele and Reddy, D. Srinivasa and Bifulco, Giuseppe} } @article {46734, title = {Differential modulation in metabolites revealed with the improvement in the shelf-life of alphonso fruits}, journal = {Molecular Biotechnology}, volume = {62}, year = {2020}, month = {OCT}, pages = {508-520}, type = {Article}, abstract = {
Globally farmers have difficulty in extending the shelf-life of the tropical fruits due to their perishable nature. The present study aimed to assess the effect of hexanal nano-formulation treatment (NFT) on the shelf-life of Alphonso mango. Further, volatilomics was performed to explore the molecular basis of such effect. Untreated and treated fruits were sampled starting from 5th to 21st day after NFT at an interval of 4 days. Moderate changes in visual and digital colour parameters were evident from the intact and dissected fruits of NFT set compared to untreated fruits. Biochemical assays affirmed the phenotypic differences with significant changes in the colour imparting compounds like carotenoids and anthocyanins among them. Further, gas chromatography-mass spectrometry analysis revealed significant qualitative and quantitative variations in the different classes of compounds like lactones, furanones, esters, aldehydes and alcohols. Some of the key metabolites showed differential modulations among the NFT and untreated fruit sets indicating their potential role in various processes, which ultimately might have resulted in delayed ripening of the mango. Overall, this study has demonstrated the beneficial effect of hexanal and identified important metabolites with the enhanced shelf-life in Alphonso that could be useful for farmers and mango-based food/flavour industries.
}, keywords = {Alphonso, GC-MS, Metabolites, Nano-biotechnology, Nano-formulation, Shelf-life, Volatilomics}, issn = {1073-6085}, doi = {10.1007/s12033-020-00267-7, Early Access Date = AUG 2020}, author = {Dar, M. Saleem and Dholakia, Bhushan B. and Shanmugam, Haripriya and Gupta, Vidya S. and Subramanian, K. S. and Subramanian, J. and Giri, Ashok P.} } @article {46814, title = {Differential suitability of reactive oxygen species and the role of glutathione in regulating paradoxical behavior in gliomas: a mathematical perspective}, journal = {PloS One}, volume = {15}, year = {2020}, month = {JUN}, pages = {e0235204}, type = {Article}, abstract = {
Manipulative strategies of ROS in cancer are often exhibited as changes in the redox and thiol ratio of the cells. Cellular responses to oxidative insults are generated in response to these changes which are triggered due to the rerouting of the metabolic framework to maintain survival under stress. However, mechanisms of these metabolic re-routing are not clearly understood and remained debatable. In the present work, we have designed a context-based dynamic metabolic model to establish that the coordinated functioning of glutathione peroxidase (GTHP), glutathione oxidoreductase (GTHO) and NADPH oxidase (NOX) is crucial in determining cancerous transformation, specifically in gliomas. Further, we propose that the puzzling duality of ROS (represented by changes inh(2)o(2)in the present model) in exhibiting varying cellular fates can be determined by considering simultaneous changes innadph/nadp(+)andgsh/gssgthat occur during the reprogramming of metabolic reactions. This will be helpful in determining the pro-apoptotic or anti-apoptotic fate of gliomas and can be useful in designing effective pro-oxidant and/or anti-oxidant therapeutic approaches against gliomas.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0235204}, author = {Bhowmick, Rupa and Sarkar, Ram Rup} } @article {47006, title = {Dioxolanone-anchored poly(allyl ether)-based cross-linked dual-salt polymer electrolytes for high-voltage lithium metal batteries}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {JAN }, pages = {567-579}, type = {Article}, abstract = {
Novel cross-linked polymer electrolytes (XPEs) are synthesized by free-radical copolymerization induced by ultraviolet (UV)-light irradiation of a reactive solution, which is composed of a difunctional poly(ethylene glycol) diallyl ether oligomer (PEGDAE), a monofunctional reactive diluent 4-vinyl-1,3-dioxolan-2-one (VEC), and a stock solution containing lithium salt (lithium bis(trifluoromethanesulfonyl)imide, LiTFSI) in a carbonate-free nonvolatile plasticizer, poly(ethylene glycol) dimethyl ether (PEGDME). The resulting polymer matrix can be represented as a linear polyethylene chain functionalized with cyclic carbonate (dioxolanone) moieties and cross-linked by ethylene oxide units. A series of XPEs are prepared by varying the [O]/[Li] ratio (24 to 3) of the stock solution and thoroughly characterized using physicochemical (thermogravimetric analysis-mass spectrometry, differential scanning calorimetry, NMR, etc.) and electrochemical techniques. In addition, quantum chemical calculations are performed to elucidate the correlation between the electrochemical oxidation potential and the lithium ion-ethylene oxide coordination in the stock solution. Later, lithium bis(fluorosulfonyl)imide (LiFSI) salt is incorporated into the electrolyte system to produce a dual-salt XPE that exhibits improved electrochemical performance, a stable interface against lithium metal, and enhanced physical and chemical characteristics to be employed against high-voltage cathodes. The XPE membranes demonstrated excellent resistance against lithium dendrite growth even after reversibly plating and stripping lithium ions for more than 1000 h with a total capacity of 0.5 mAh cm(-2). Finally, the XPE films are assembled in a lab-scale lithium metal battery configuration by using carbon-coated LiFePO4 (LFP) or LiNi0.8Co0.15Al0.05O2 (NCA) as a cathode and galvanostatically cycled at 20, 40, and 60 degrees C. Remarkably, at 20 degrees C, the NCA-based lithium metal cells displayed excellent cycling stability and good capacity retention (\>50\%) even after 1000 cycles.
}, keywords = {cross-linked polymer electrolyte, dual-salt electrolyte, high-voltage cathode, lithium metal battery, solvent-free photopolymerization}, issn = {1944-8244}, doi = {10.1021/acsami.9b16348}, author = {Vijayakumar, Vidyanand and Diddens, Diddo and Heuer, Andreas and Kurungot, Sreekumar and Winter, Martin and Nair, Jijeesh Ravi} } @article {46787, title = {Directed holey and ordered g-C(3)N(4.5)nanosheets by a hard template nanocasting approach for sustainable visible-light hydrogen evolution with prominent quantum efficiency}, journal = {Journal of Materials Chemistry A}, volume = {8}, year = {2020}, month = {JUL}, pages = {13328-13339}, type = {Article}, abstract = {
It is desirable yet challenging to synthesize a highly ordered holey carbon nitride material with excess nitrogen atoms for a sustainable solar H(2)evolution. Herein, we report the development of directed highly ordered nitrogen-rich honeycomb-like mesoporous carbon nitride nanosheets by using a novel synthetic approach for this purpose. The unique formation route, surface structure and charge carrier dynamics of the two dimensional holey nanosheets are comprehensively monitored and confirmed by SAXS, HRTEM, AFM, BET, XPS and TRPL analyses. Non-stoichiometric high nitrogen content mesoporous nanosheets with the final stoichiometry of g-C(3)N(4.5)acquiring a high specific surface area (382 m(2)g(-1)), remarkable pore size (7.2 nm) and sheet thickness similar to 5-6 nm are realized in this first report. This elegant material possesses unique low band-gap energy (2.42 eV). Remarkably, the as-synthesized g-C(3)N(4.5)NSs exhibit a record high photocatalytic H(2)evolution rate of 8180 mu mol g(-1)h(-1)under the present light irradiation (420 \<=lambda \<= 510 nm) condition. The apparent quantum efficiency is found to be as high as 27.14\% at 420 nm and retains its photocatalytic activity for longer consecutive catalytic cycles. Bigger pore size and pore volume, and thin walls leading to shortening of the path length of exciton pairs, efficient charge separation and the prolonged average life time of the charge carriers, and lone electron pairs associated with the excess nitrogen content are found to be the reasons behind the excellent visible light driven water splitting reaction.
}, issn = {2050-7488}, doi = {10.1039/d0ta02734k}, author = {Antil, Bindu and Ranjan, Ravi and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {46694, title = {Discovery of 3-(benzofuran-2-ylmethyl)-1H-indole derivatives as potential autophagy inducers in cervical cancer cells}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {30}, year = {2020}, month = {OCT }, pages = {127431}, type = {Article}, abstract = {
In this manuscript we have documented the identification of a novel anticancer scaffold 3-(benzofuran-2-yl-methyl)-1H-indole. This scaffold has been designed by tweaking the known bisindolylmethane scaffold of natural products that display a wide range of biological activities. A series of 24 new conjugates have been synthesized and among them 5 derivatives exhibited IC50 values less than 40 mu M against two cervical cancer cell lines SiHa and C33a. Further mechanistic studies of two compounds 3eb and 3ec revealed that the toxicity of these compounds was due to the effective induction of autophagy mediated cell death. The autophagy induction was confirmed by the progressive conversion of LC3I to LC3II and downregulation of p62 in cervical cancer cells.
}, keywords = {Autophagy, Benzofuran, Bisindolylmethane, Cervical cancer, Friedel-Crafts alkylation}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127431}, author = {Siddiqui, Shaziyaparveen K. and SahayaSheela, Vinodh J. and Kolluru, Srinivas and Pandian, Ganesh N. and Santhoshkumar, Thankayyan R. and Dan, Vipin M. and Ramana, V, Chepuri} } @article {46869, title = {Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2020}, month = {MAY}, type = {Article; Early Access 2020}, abstract = {
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection has resulted in the current COVID-19 pandemic. Worldwide this disease has infected over 2.5 million individuals with a mortality rate ranging from 5 to 10\%. There are several efforts going on in the drug discovery to control the SARS-CoV-2 viral infection. The main protease (M-Pro) plays a critical role in viral replication and maturation, thus can serve as the primary drug target. To understand the structural evolution of M-Pro, we have performed phylogenetic and Sequence Similarity Network analysis, that depicted divergence of Coronaviridae M-Pro in five clusters specific to viral hosts. This clustering was corroborated with the comparison of M-Pro structures. Furthermore, it has been observed that backbone and binding site conformations are conserved despite variation in some of the residues. These attributes can be exploited to repurpose available viral protease inhibitors against SARS-CoV-2 M-Pro. In agreement with this, we performed screening of similar to 7100 molecules including active ingredients present in the Ayurvedic anti-tussive medicines, anti-viral phytochemicals and synthetic anti-virals against SARS-CoV-2 M-Pro as the primary target. We identified several natural molecules like delta-viniferin, myricitrin, taiwanhomoflavone A, lactucopicrin 15-oxalate, nympholide A, afzelin, biorobin, hesperidin and phyllaemblicin B that strongly binds to SARS-CoV-2 M-Pro. Intrestingly, these molecules also showed strong binding with other potential targets of SARS-CoV-2 infection like viral receptor human angiotensin-converting enzyme 2 (hACE-2) and RNA dependent RNA polymerase (RdRp). We anticipate that our approach for identification of multi-target-directed ligand will provide new avenues for drug discovery against SARS-CoV-2 infection. Communicated by Ramaswamy H. Sarma
}, keywords = {Coronavirus, COVID-19, hACE-2, MPro, multi-target-directed ligand, protease inhibitor, RdRp, SARS-CoV-2 virus}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1760137, Early Access Date = MAY 2020}, author = {Joshi, Rakesh S. and Jagdale, Shounak S. and Bansode, Sneha B. and Shankar, S. Shiva and Tellis, Meenakshi B. and Pandya, Vaibhav Kumar and Chugh, Anita and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article {46830, title = {Distinct metabolic states of a cell guide alternate fates of mutational buffering through altered proteostasis}, journal = {Nature Communications}, volume = {11}, year = {2020}, month = {JUN}, pages = {2926}, type = {Article}, abstract = {
Metabolic changes alter the cellular milieu; can this also change intracellular protein folding? Since proteostasis can modulate mutational buffering, if change in metabolism has the ability to change protein folding, arguably, it should also alter mutational buffering. Here we find that altered cellular metabolic states in E. coli buffer distinct mutations on model proteins. Buffered-mutants have folding problems in vivo and are differently chaperoned in different metabolic states. Notably, this assistance is dependent upon the metabolites and not on the increase in canonical chaperone machineries. Being able to reconstitute the folding assistance afforded by metabolites in vitro, we propose that changes in metabolite concentrations have the potential to alter protein folding capacity. Collectively, we unravel that the metabolite pools are bona fide members of proteostasis and aid in mutational buffering. Given the plasticity in cellular metabolism, we posit that metabolic alterations may play an important role in cellular proteostasis.
}, issn = {2041-1723}, doi = {10.1038/s41467-020-16804-6}, author = {Verma, Kanika and Saxena, Kanika and Donaka, Rajashekar and Chaphalkar, Aseem and Rai, Manish Kumar and Shukla, Anurag and Zaidi, Zainab and Dandage, Rohan and Shanmugam, Dhanasekaran and Chakraborty, Kausik} } @article {46683, title = {Drug-drug cocrystals of anticancer drugs erlotinib-furosemide and gefitinib-mefenamic acid for alternative multi-drug treatment}, journal = {Crystengcomm}, volume = {22}, year = {2020}, month = {OCT }, pages = {6137-6151}, type = {Article}, abstract = {
Drug-drug cocrystals of anticancer drugs erlotinib and gefitinib with furosemide and mefenamic acid, respectively, have been synthesized. The 1:1 erlotinib-furosemide cocrystal crystallizes in the monoclinic centrosymmetric P2(1)/n space group containing one molecule of each component in the asymmetric unit. In contrast the 1:1 gefitinib-mefenamic acid cocrystal hydrate belongs to the monoclinic centrosymmetric P2(1)/c space group comprising one molecule of both drugs along with one water molecule in the asymmetric unit. The solubility and dissolution rate study revealed higher solubility for BCS class II drugs, furosemide, and mefenamic acid, while the solubility and dissolution rate of erlotinib showed a significant reduction in the cocrystal salt. Conversely, the solubility of gefitinib didn{\textquoteright}t reveal a substantial decrease; however, the dissolution rate has been reduced in the cocrystal hydrate. Further, an attempt has been made to correlate the crystal structures of the erlotinib-furosemide and gefitinib-mefenamic acid cocrystals with their solubilities and dissolution rate.
}, issn = {1466-8033}, doi = {10.1039/d0ce00353k}, author = {George, Christy P. and Thorat, Shridhar H. and Shaligram, Parth S. and Suresha, P. R. and Gonnade, Rajesh G.} } @article {46831, title = {Dual mode selective detection and differentiation of TNT from other nitroaromatic compounds}, journal = {Journal of Materials Chemistry A}, volume = {8}, year = {2020}, month = {JUN }, pages = {10767-10771}, type = {Article}, abstract = {
Selective detection of explosives, especially TNT, is a highly desirable area of research and various explosives detection devices including fluorescent sensors are already in place. However, multi-mode sensors will be more useful and reliable than conventional fluorescent {\textquoteleft}{\textquoteleft}Turn Off{\textquoteright}{\textquoteright} sensors. One of the challenges is the development of selective sensors to prevent illegal transport of commonly used explosive TNT through on-the-spot analysis. In this context, we report a fluorescent polymer-based selective detection of TNT using both fluorometric and colorimetric signals. In addition, colorimetric differentiation of TNT from other nitroaromatic compounds is made possible by complexing with various amines. Even though many other sensors are available for TNT, the current demonstration is unique in terms of selectivity, sensitivity, reliability, portability, and rapidity of results. The as-developed explosive detection kit can be useful in both civilian and military operations to trace the illegal transport of TNT as well as for post-explosion analysis.
}, issn = {2050-7488}, doi = {10.1039/d0ta02091e}, author = {Patil, Goudappagouda and Dongre, Sangram D. and Das, Tamal and Babu, Sukumaran Santhosh} } @article {46887, title = {Dual responsive cellulose microspheres with high solid-state fluorescence emission}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {591}, year = {2020}, month = {APR}, pages = {124510}, type = {Article}, abstract = {
Materials that respond to multiple stimuli such as magnetic field and light are attractive for security and medical diagnostic applications. One of the major challenges in dual functional microspheres is that the presence of magnetic nanoparticles can quench fluorescence emission. Also, there is a probability of solid-state quenching due to the proximity of the fluorophore. We report here a facile approach to prepare cellulose microspheres with high solid-state fluorescence using 40 \% tetrabutylammonium hydroxide (TBAH). The fluorescence quenching effect due to the presence of Fe3O4 nanoparticles and solid-state quenching due to aggregation of fluorophore was systematically investigated. Microspheres with the detectable magnetic response and fluorescence quantum yield as high as 0.57 (FMB 414) was obtained by optimizing the reaction conditions. Such a high quantum yield has not been reported before for dual stimuli-responsive fluorescent microspheres. The magnetic and fluorescent properties were found to be durable even after multiple washing cycles. These dual responsive cellulose microspheres can be added as security features to authenticate documents such as passports, degree certificates, currency notes, financial documents etc.
}, keywords = {Fluorescent, Magnetic, Microcrystalline cellulose, microspheres, Stimuli responsive microspheres, Tetrabutylammonium hydroxide}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2020.124510}, author = {Yadav, Prashant and Prajitha, K. P. and Dhaware, Vinita and Subramani, Mohan and Joy, Pattayil and Asha, S. K. and Shanmuganathan, Kadhiravan} } @article {46908, title = {Dynamic protein interfaces and conformational landscapes of membrane protein complexes}, journal = {Current Opinion in Structural Biology}, volume = {61}, year = {2020}, month = {APR}, pages = {191-197}, type = {Review}, abstract = {
Dynamic interactions between membrane proteins span a range of spatio-temporal scales and determine several cellular outcomes. Experimental methods in structure determination are able to resolve static protein-protein complexes at the membrane, but lack the resolution required for disordered, flexible domains and dynamic interactions. Computational approaches could bridge the resolution gap and help to unravel molecular details underlying these crucial interactions. Here, we review current approaches to predict dynamic membrane-protein complexes, with a focus on G protein-coupled receptors (GPCRs). Ensemble coarse-grain simulations have captured the conformational heterogeneity of several membrane receptor complexes. In conjunction, the conformational plasticity of protein interfaces especially encompassing unstructured domains is well represented by atomistic simulations. A combined integrative approach will pave the way forward to understand the molecular details of these dynamic complexes.
}, issn = {0959-440X}, doi = {10.1016/j.sbi.2020.01.001}, author = {Kharche, Shalmali A. and Sengupta, Durba} } @article {46923, title = {Dynamics in amine-functionalized mesoporous hybrid materials probed through deuterium magic angle spinning NMR and molecular dynamic simulations}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {MAR}, pages = {6154-6170}, type = {Article}, abstract = {
We present a deuterium magic angle spinning (MAS) NMR study on two widely used hybrid materials (3-glycidyloxy propyl)trimethoxysilane (3-GPTMS) and 3-(trimethoxysilyl)propyl methacrylate (3-MATMS) grafted on SBA-15. Methylene-deuterated diamine as a pendent group is anchored to GPTMS (O3Si-CH2-CH2-CH2-O-CH2-CH(OH)- CH2-NH-CD2-CD2-NH2) and MATMS (O3Si-CH2-CH2-CH2-O-C(N-CD2-CD2-NH2)-C(CH3)=-CH2) postgrafting. Proton and deuterium solid state NMR experiments under MAS were performed at two hydration levels and temperatures ranging from 253 to 315 K. Deuterium spectra were deconvoluted into three A Dr, components with different average quadrupolar parameters: a relatively rigid component arising from local or librational motion of C-H-2(2) corresponding to {\textquoteleft}{\textquoteleft}small angle{\textquoteright}{\textquoteright} jumps, an intermediate dynamic component, and a large amplitude dynamic component. Population ratios of rigid versus dynamic components show that diamine-MATMS is more rigid when compared with diamine-GPTMS at high hydration. The role of the length of the linkers, steric hindrance, grafting concentration, etc. in defining mobility is investigated. Finally, by correlating proton and deuterium MAS NMR spectral analysis, the role of a few water molecules in inducing dynamics of the linkers was investigated. Molecular dynamic (MD) simulations support the experimental analysis. MD simulations indicate different types of mobility arising from the same molecular binding configuration of diamine-MATMS. Dynamics induced by a few hydroxyls on the pore surface accessible to the linker, various molecular conformations, and stabilization of the linker through hydrogen bonding with the surface, derived from MD simulations, are discussed.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.9b11948}, author = {Veena, V. S. and Kavya, I and Lazar, A. and Vinod, C. P. and Ajithkumar, T. G. and Jayanthi, S.} } @article {46988, title = {Early metastable assembly during the stress-induced formation of worm-like amyloid fibrils of nucleic acid binding domains of TDP-43}, journal = {Biochemistry}, volume = {59}, year = {2020}, month = {JAN}, pages = {315-328}, type = {Article}, abstract = {
TDP-43 protein travels between the cytosol and the nucleus to perform its nucleic acid binding functions through its two tandem RNA recognition motif domains (TDP-43(tRRM)). When exposed to various environmental stresses, it forms abnormal aggregates in the cytosol of neurons, which are the hallmarks of amyotrophic lateral sclerosis and other TDP-43 proteinopathies. However, the nature of early structural changes upon stress sensing and the consequent steps during the course of aggregation are not well understood. In this study, we show that under low-pH conditions, mimicking starvation stress, TDP-43(tRRm) undergoes a conformational opening reaction linked to the protonation of buried ionizable residues and grows into a metastable oligomeric assembly (called the {\textquoteleft}{\textquoteleft}low-pH form{\textquoteright}{\textquoteright} or the {\textquoteleft}{\textquoteleft}L form{\textquoteright}{\textquoteright}). In the L form, the protein molecules have disrupted tertiary structure, solvent-exposed hydrophobic patches, and mobile side chains but the native-like secondary structure remains intact. The L form structure is held by weak interactions and has a steep dependence on ionic strength. In the presence of as little as 15 mM KCl, it fully misfolds and further oligomerizes to form a beta-sheet rich {\textquoteleft}{\textquoteleft}beta form{\textquoteright}{\textquoteright} in at least two distinct steps. The beta form has an ordered, stable structure that resembles worm-like amyloid fibrils. The unstructured regions of the protein gain structure during L (sic) beta conversion. Our results suggest that TDP-43(tRRm) could function as a stress sensor and support a recent model in which stress sensing during neurodegeneration occurs by assembly of proteins into metastable assemblies that are precursors to the solid aggregates.
}, issn = {0006-2960}, doi = {10.1021/acs.biochem.9b00780}, author = {Pillai, Meenakshi and Jha, Santosh Kumar} } @article {46937, title = {Effect of aromatic rings and substituent on the performance of lithium batteries with rylene imide cathodes}, journal = {ChemElectroChem}, volume = {7}, year = {2020}, month = {MAR }, pages = {1160-1165}, type = {Article}, abstract = {
Rylene imides (RIs) are attractive organic battery materials because of the inherent modularity of the molecules. While strong aggregation of RIs is disadvantageous for fast lithium-ion transport in the organic active material, decreasing the solubility of the RIs in battery electrolytes is essential to avoid performance fading. Therefore, the design and synthesis of RIs for lithium batteries is a non-trivial task that must, among other considerations, balance lithium-ion transport in the solid material vs. low solubility by controlling aggregation and packing. We have chosen triphenylamine (TPA) as a substituent which disrupts the aggregation but maintains a low solubility due to increased aromaticity of TPA. We have synthesized three RIs with one, two, and four aromatic units in the core. All of them showed stable specific capacity over 300 charge-discharge cycles. The batteries also showed specific capacities close to their theoretical capacities with 97-99 \% coulombic efficiency. The maximum specific energy and specific power were 197 mWh g(-1) and 37 mW g(-1), respectively.
}, keywords = {lithium-ion batteries, organic cathode material, rylene imides, solubility, triphenylamine}, issn = {2196-0216}, doi = {10.1002/celc.202000118}, author = {Aher, Jagdish and Graefenstein, Alexander and Deshmukh, Gunvant and Subramani, Kumar and Krueger, Bastian and Haensch, Mareike and Schwenzel, Julian and Krishnamoorthy, Kothandam and Wittstock, Gunther} } @article {46740, title = {Effect of bio-filler on hybrid sisal-banana-kenaf-flax based epoxy composites: a statistical correlation on flexural strength}, journal = {Journal of Bionic Engineering}, volume = {17}, year = {2020}, month = {NOV}, pages = {1263-1271}, type = {Article}, abstract = {
This work deals with the investigation of the synergistic effect of bagasse ash with sisal-banana-kenaf-flax fibers reinforced epoxy composite for their flexural behavior. The composites with three combinations of hybrid fibers viz. sisal/kenaf (HSK), banana/kenaf (HBK), and banana/flax (HBF) with bagasse ash (BGA) as filler material are fabricated using vacuum bag assisted resin transfer molding. Experiments were conducted based on L27 orthogonal array to understand the influence of control factor viz. fiber volume, alkali concentration \& BGA over output response.X-ray micro computed tomography analysis was conducted over the developed sample to infer the uniform dispersion of fiber and filler material. The experimental results reveal that the addition of fiber up to 30 vol\% depicts better strength and further addition results in a negative impact. Increasing in order of BGA decreases the flexural strength of the developed composites.
}, keywords = {bagasse ash, flexural strength, natural fiber, vacuum bag assisted resin transfer molding, X-ray micro computed tomography}, issn = {1672-6529}, doi = {10.1007/s42235-020-0083-7, Early Access Date = AUG 2020}, author = {Vivek, Somasundaram and Kanthavel, Karuppusamy and Torris, Arun and Kavimani, Vijayananth} } @article {46842, title = {Effect of melatonin on tau aggregation and tau-mediated cell surface morphology}, journal = {International Journal of Biological Macromolecules}, volume = {152}, year = {2020}, month = {JUN }, pages = {30-39}, type = {Article}, abstract = {
Aggregation of Microtubule-associated protein Tau and its deposition in the form of neurofibrillary tangles (NFTs) is one of the pathological hallmarks of Alzheimer{\textquoteright}s disease (AD). Tau aggregation inhibition has been targeted in various studies including natural compounds and synthetic small molecules. Here, we have studied neurohormone- Melatonin against in vitro Tau aggregation and observed its effect on membrane topology, tubulin network and Tau phosphorylation in Neuro2A and N9 cell lines. The aggregation and conformation of Tau was determined by ThT fluorescence and CD spectroscopy respectively. The morphology of Tau aggregates in presence and absence of Melatonin was studied by transmission electron microscopy. Melatonin was found to reduce the formation of higher order oligomeric structures without affecting the overall aggregation kinetics of Tau. Melatonin also modulates and helps to maintain membrane morphology, independent on tubulin network as evidenced by FE-SEM and immunofluorescence analysis. Overall, Melatonin administration shows mild anti-aggregation and cytoprotective effects. (C) 2020 Elsevier B.V. All rights reserved.
}, keywords = {Alzheimer{\textquoteright}s disease, Cell surface morphology, melatonin, Paired helical filaments, tau protein, Tauopathies}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.01.296}, author = {Das, Rashmi and Balmik, Abhishek Ankur and Chinnathambi, Subashchandrabose} } @article {46730, title = {Effect of physical properties of dispersed phase on the residence time distribution in straight capillaries}, journal = {Chemical Engineering Science}, volume = {222}, year = {2020}, month = {AUG }, pages = {115715}, type = {Article}, issn = {0009-2509}, doi = {10.1016/j.ces.2020.115715}, author = {Raval, Joy and Suryawanshi, Nalinee B. and Kulkarni, Amol A.} } @article {46690, title = {Effect of solvent-substrate noncovalent interactions on the diastereoselectivity in the intramolecular carbonyl-ene and the staudinger [2+2] cycloaddition reactions}, journal = {Journal of Physical Chemistry A}, volume = {124}, year = {2020}, month = {OCT }, pages = {8019-8028}, type = {Article}, abstract = {
Noncovalent interactions (NCIs) have been identified as important contributing factors for determining selectivity in organic transformations. However, cases where NCIs between solvents and substrates are responsible for a major extent for determining selectivity are rare. The current computational study with density functional theory identifies two important transformations where this is the case: the intramolecular carbonyl-ene reaction and the Staudinger [2 + 2] cycloaddition reaction. In both cases, the role of explicit solvent molecules interacting non-covalently with the substrate has been taken into account. Calculations indicate that the diastereomeric ratio would be 95.0:5.0 for the formation of tricyclic tetrahydrofuran diastereomers via the intramolecular carbonyl-ene reaction and 94.0:6.0 for the formation of the triflone diastereomers via the Staudinger [2 + 2] cycloaddition reaction, which corroborates with the experiment. Interestingly, in both the cases, the calculations indicate that noninclusion of explicit solvent molecules would lead to only a small difference between the competing transition states, which leads to the conclusion that solvent-substrate NCIs are the major cause for diastereoselectivity in both the cases considered.
}, issn = {1089-5639}, doi = {10.1021/acs.jpca.0c05738}, author = {Jain, Shailja and Vanka, Kumar} } @article {46643, title = {Effect of substituent of roof shape amines on the molecular recognition of optically active acids by NMR spectroscopy}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {NOV}, pages = {13183-13190}, type = {Article}, abstract = {
Optically active roof shape derivatives of benzyl amines were synthesized and screened as chiral solvating agents for the study of molecular recognition of chiral compounds by NMR and UV spectroscopy. The effect of substituents on the aromatic ring of benzyl unit is investigated to assess the binding ability with the analyte and an experimental correlation is observed. Altering the substituents on the ring of benzyl amine and the acidic substrates, significantly influence the CSA interactions. The supramolecular interactions between acid and amine in the single crystal X-ray analysis of the diastereomeric salts provide further insight of the mode of molecular recognition.
}, keywords = {Chiral Solvating Agents, molecular recognition, NMR spectroscopy, Roof Shape Amine, UV spectroscopy}, issn = {2365-6549}, doi = {10.1002/slct.202003338}, author = {Gupta, Riddhi and Gonnade, Rajesh G. and Bedekar, Ashutosh V.} } @article {46615, title = {Effect of tert-alcohol functional imidazolium salts on oligomerization and fibrillization of amyloid beta (1-42) peptide}, journal = {Biophysical Chemistry}, volume = {267}, year = {2020}, month = {DEC}, pages = {106480}, type = {Article}, abstract = {
Imidazolium based IL{\textquoteright}s has gained vast interest in developing biological applications. Oligomerization and fibrillization of amyloid beta (1-42) peptide are mainly responsible for the extra-neuronal deposition of amyloid fibrils in neurodegenerative disorders like Alzheimer{\textquoteright}s disease (AD). Here, we report an effect of tert-BuOH-functional imidazolium ILs on oligomerization and fibrillization of amyloid beta (1-42) Peptide in vitro. In this study, a series of these [alkyl-(t)OHim][OMs] ILs with methyl sulphonate counter anion by varying alkyl chains were used. Among the seven protic ILs, four showed strong binding and inhibition activity for the formation of amyloid beta (1-42) aggregation by using Thioflavin T fluorescence binding assay. The secondary structural analysis of the peptide, pre-incubated with active ILs shows the loss of ordered beta-sheet amyloid structure. The longer alkyl chain ILs showed that an increased in amyloid binding and hence an inhibition effect on amyloid aggregation was enhanced. Thus, we propose that ILs could be presented as potential candidates for therapeutic intervention against Alzheimer{\textquoteright}s disease (AD).
}, keywords = {Aggregation, Amyloid beta (1-42) peptide, Biofilm inhibitor, Imidazolium ionic liquid}, issn = {0301-4622}, doi = {10.1016/j.bpc.2020.106480}, author = {Said, Madhukar S. and Navale, Govinda R. and Yadav, Ashok and Khonde, Nilesh and Shinde, Sandip S. and Jha, Anjali} } @article {46767, title = {Efficacy of clay catalysts for the dehydration of fructose to 5-hydroxymethyl furfural in biphasic medium}, journal = {Journal of Porous Materials}, volume = {27}, year = {2020}, month = {DEC}, pages = {1691-1700}, type = {Article}, abstract = {
5-Hydroxymethyl furfural (HMF) is one of the important platform chemical obtained from C6 sugars derived from biomass. The efficiency of montmorillonite clay catalysts (K-10, K-20, K-30, and Al pillared clay) has been systematically explored for the synthesis of HMF through dehydration of fructose in a biphasic solvent system. The catalysts were characterized by XRD, N(2)sorption,Al-27 MAS NMR,Si-29 NMR and FT-IR of chemisorbed pyridine. Acid treated K-10 catalyst was found to be the best among the clay catalysts tested. Various reaction parameters such as reaction temperature, catalyst content, solvent were optimized for achieving better yield of HMF. Under optimized reaction conditions, K-10 catalyst affords 80 mol\% fructose conversion with HMF yield of 61 mol\%. Insight into the type of acid sites essential for such cascade reactions has been furnished. Utilization of clay catalysts for HMF production will be beneficial to improve overall economics for the production of platform chemicals like HMF from biomass-derived raw materials.
}, keywords = {5-hydroxymethyl furfural, Acidity, Clays, fructose, Insights}, issn = {1380-2224}, doi = {10.1007/s10934-020-00943-8, Early Access Date = JUL 2020}, author = {Lucas, Nishita and Nagpure, Atul S. and Gurrala, Lakshmiprasad and Gogoi, Pranjal and Chilukuri, Satyanarayana} } @article {46806, title = {Efficacy of octahedral molecular sieves for green and sustainable catalytic reactions}, journal = {Molecular Catalysis}, volume = {490}, year = {2020}, month = {JUL}, pages = {110966}, type = {Review}, abstract = {
Sustainability and Green Chemistry has emerged as catchphrase in modern era and researchers worldwide have embraced it as new paradigm of development. In this context identifying potential materials able to curb multiple grave issues thus contributing towards sustainability is vital. Catalytic materials are quite potent for addressing current social, economic and environmental problems like harnessing alternative energy source, pollution prevention/remediation and manufacturing of commodity chemicals. Thus, the present review accentuates the efficacy of porous octahedral molecular sieves (OMS) as catalyst for such environmentally important reactions. It discusses about structural importance of OMS and their applications for green and sustainable catalytic reactions. Finally, the limitations are highlighted and future perspectives are presented which will ameliorate its catalytic utilization in energy and environmental domains.
}, keywords = {catalytic transformations, Lignocellulosic biomass, octahedral molecular sieves, platform chemicals, renewable feedstock}, issn = {2468-8231}, doi = {10.1016/j.mcat.2020.110966}, author = {Lucas, Nishita and Gurrala, Lakshmiprasad and Halligudi, S. B.} } @article {46713, title = {Efficient method for the synthesis of quinoxaline derivatives catalyzed by titanium silicate-1}, journal = {Research on Chemical Intermediates}, volume = {46}, year = {2020}, month = {DEC}, pages = {5219-5230}, type = {Article}, abstract = {
A series of quinoxaline derivatives were efficiently synthesized by convenient and simple procedure in excellent yields using 1 wt.\% of titanium silicate (TS-1) catalyzed reaction of 1,2-diamines and 1,2-diketones in methanol at room temperature. This reaction is scalable to multigram scale and the catalyst is recyclable. [GRAPHICS] .
}, keywords = {2-Diketones, Aromatic 1, o-Phenylenediamine, Quinoxaline, Room temperature, Titanium silicate-1}, issn = {0922-6168}, doi = {10.1007/s11164-020-04258-w, Early Access Date = SEP 2020}, author = {Chandrachood, Pranav S. and Jadhav, Amol R. and Garud, Dinesh R. and Deshpande, Nirmala R. and Puranik, Vedavati G. and Kashalkar, Rajashree V.} } @article {46707, title = {Efficient processing of reactions involving diazonium salts: meerwein arylation in an impinging-jet reactor}, journal = {Organic Process Research \& Development}, volume = {24}, year = {2020}, month = {SEP}, pages = {1658-1664}, type = {Article}, abstract = {
This work reports a novel approach for performing high-throughput synthesis of Meerwein arylation in an impingingjet reactor. The multistep reaction was performed in a single reactor via in situ diazonium salt generation followed by Meerwein arylation. The work involves many iterations between experiments and simulations (where we integrate simulating the flow, heat transfer, and reaction simultaneously) for optimization of conditions in an inverted impinging-jet reactor. The effect of design variables viz. catalyst concentration, inlet temperature, and monomer mole ratio on the yield of the desired product was studied in detail, and the simulation results were used to plan the continuous experiments. An infrared camera was used to monitor the transient reactor temperature for steady-state analysis. The lab-scale inverted impinging-jet reactor with over 93\% isolated yield can offer a space-time yield of 277.78 tons/m(3)/day. The numbering-up of an inverted impinging-jet reactor can be an effective way for cleaner production of products through typical Meerwein arylation.
}, keywords = {computational fluid dynamics, high throughput synthesis, impinging-jet reactor, IR camera, Meerwein arylation, Numbering-up}, issn = {1083-6160}, doi = {10.1021/acs.oprd.0c00271}, author = {Shukla, Chinmay A. and Atapalkar, Ranjit S. and Kulkarni, Amol A.} } @article {46965, title = {Efficient synthesis of gamma-valerolactone-a potential fuel from biomass derived levulinic acid using catalytic transfer hydrogenation over Hf@CCSO3H catalyst}, journal = {Catalysis Letters}, volume = {150}, year = {2020}, month = {JUL}, pages = {2038-2044}, type = {Article}, abstract = {
A new hafnium based carbonaceous catalyst (Hf@CCSO3H) was prepared by simultaneous carbonization and sulfonation of readily available glucose, followed by incorporation of hafnium metal on the surface of catalyst. The catalyst was well characterized using FT-IR, PXRD, EDX, SEM, C-13 CPNMR, XPS and BET analysis. The catalytic activity of Hf@CCSO3H was evaluated for synthesis of gamma-valerolactone-a potential fuel and green solvent. gamma-valerolactone was synthesized from biomass derived levulinic acid by catalytic transfer hydrogenation using 150 wt\% of catalyst at 200 celcius for 24 h in isopropanol solvent as a hydrogen donor. 100\% conversion of levulinic acid was achieved with an excellent yield of 96\% with more than 99\% selectivity of gamma-valerolactone as evident from GC analysis. The method developed is simple, efficient and economical. [GRAPHICS] .
}, keywords = {gamma-Valerolactone, Hydrogenation, levulinic acid, Transfer}, issn = {1011-372X}, doi = {10.1007/s10562-020-03119-w, Early Access Date = FEB 2020}, author = {Jori, Popat K. and Jadhav, Vrushali H.} } @article {46768, title = {EGCG impedes human Tau aggregation and interacts with Tau}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {JUL}, pages = {12579}, type = {Article}, abstract = {
Tau aggregation and accumulation is a key event in the pathogenesis of Alzheimer{\textquoteright}s disease. Inhibition of Tau aggregation is therefore a potential therapeutic strategy to ameliorate the disease. Phytochemicals are being highlighted as potential aggregation inhibitors. Epigallocatechin-3-gallate (EGCG) is an active phytochemical of green tea that has shown its potency against various diseases including aggregation inhibition of repeat Tau. The potency of EGCG in altering the PHF assembly of full-length human Tau has not been fully explored. By various biophysical and biochemical analyses like ThS fluorescence assay, MALDI-TOF analysis and Isothermal Titration Calorimetry, we demonstrate dual effect of EGCG on aggregation inhibition and disassembly of full-length Tau and their binding affinity. The IC50 for Tau aggregation by EGCG was found to be 64.2 mu M.
}, issn = {2045-2322}, doi = {10.1038/s41598-020-69429-6}, author = {Sonawane, Shweta Kishor and Chidambaram, Hariharakrishnan and Boral, Debjyoti and Gorantla, Nalini Vijay and Balmik, Abhishek Ankur and Dangi, Abha and Ramasamy, Sureshkumar and Marelli, Udaya Kiran and Chinnathambi, Subashchandrabose} } @article {46748, title = {Electrochemical evaluation of the stability and capacity of r-GO-wrapped copper antimony chalcogenide anode for Li-ion battery}, journal = {ChemElectroChem}, volume = {7}, year = {2020}, month = {AUG }, pages = {3291-3300}, type = {Article}, abstract = {
Poor cycling stability and capacity fade are primary concerns for next-generation anode materials for Li-ion batteries. In non-carbonaceous anode materials, alloying with Li leads to volume increase that affects practical applications, and increase in particle size, amorphization and reduced conductivity can all lead to a loss of performance. In this work, binary antimony sulfide (Sb2S3) and ternary copper antimony sulfide (CuSbS2) are synthesized by a convenient solvothermal process. These materials are used to study the Li-active/inactive concept, by incorporating Cu into Sb(2)S(3)forming CuSbS(2)wherein Cu is Li inactive whereas Sb is Li active. By direct comparison, we have shown that incorporating Cu into binary antimony sulfide (Sb2S3) resulting into ternary copper antimony sulfide (CuSbS2) addresses the problem of poor conductivity and capacity loss, as Cu provides conductivity leading to enhanced charge transfer and prevents Sb particle aggregation while charge-discharge by exhibiting spectator or diluent ion effect. The better performance of CuSbS(2)is associated with the better Li(+)ion diffusion in the CuSbS2(D=8.97x10(-15) cm(2) s(-1)) compared to Sb2S3(D=2.76x10(-15) cm(2) s(-1)) and lower series resistance of CuSbS2(R=4.70x10(5) omega) compared to Sb2S3(R=5.81x10(8) omega). We have also investigated the composite with the addition of rGO. The CuSbS2-rGO delivered a reversible capacity of 672 mAh g(-1)after 1000 cycles at 200 mA g(-1)which has shown best performance.
}, keywords = {Batteries, chalcogenides, Diffusion coefficient, lithium, Ternary sulfides}, issn = {2196-0216}, doi = {10.1002/celc.202000625}, author = {Yadav, Poonam and Sharma, Neha and Patrike, Apurva and Sabri, Ylias M. and Jones, Lathe A. and Shelke, V. Manjusha} } @article {46799, title = {Electrochemical performance of pre-lithiated ZnMoO4 and r-GO@ZnMoO4 composite anode for lithium-ion battery application}, journal = {Journal of the Taiwan Institute of Chemical Engineers}, volume = {112}, year = {2020}, month = {JUL}, pages = {60-66}, type = {Article}, abstract = {
Exploring a safer replacement of Li metal anode is crucial for technological, and fundamental importance. Li-metal is a preferred choice as anode material for lithium-ion battery (LIB) applications. However, parasitic dendritic growth on the Li metal surface during cycling causes instability and safety dreads. In the present study, we have investigated that the pre-lithiated ZnMoO4 is superior to its carbon-based counterparts (r-GO@ZnMoO4), moreover safer and sustainable than Li metal anode. The pre-lithiated ZnMoO4 delivers a better reversible capacity (similar to 1000 mAhg(-1) at 0.1 Ag-1), superior rate capability (similar to 400 mAh g(-1) at 2 Ag-1), and excellent cycling stability over 300 cycles at 0.1 Ag-1, as compared to bare ZnMoO4 and r-GO@ZnMoO4 composite. The present investigation is an attempt to provide a substitute for commonly used Li-metal/carbon anodes with better performance. (C) 2020 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
}, keywords = {Cycling stability, Electrochemistry, Li-ion battery, Nyquist plot, Rate performance, ZnMoO4 nanocomposites}, issn = {1876-1070}, doi = {10.1016/j.jtice.2020.07.009}, author = {Bin Masood, Khalid and Parte, Golu and Jain, Neha and Dwivedi, Pravin K. and Kumar, Pushpendra and Shelke, V, Manjusha and Patel, Rp and Singh, Jai} } @article {46813, title = {Electronic structure evolution of Pd@Co nanocatalysts under oxidation and reduction conditions and preferential CO oxidation}, journal = {ChemCatChem}, volume = {12}, year = {2020}, month = {AUG }, pages = {4176-4184}, type = {Article}, abstract = {
Herein, we present the surface electronic structure and morphological evolution under reduction and oxidation conditions for Pd@Co (PC) core-shell nanoparticles with different Pd : Co ratio (PC=2 : 1, 1 : 1 and 1 : 2). Extensive measurements have been made with NAPXPS (near ambient pressure x-ray photoelectron spectroscopy) under oxidising and reducing conditions, and ex-situ HRTEM. It has been demonstrated that PC catalysts are thermally stable towards morphological changes, at least up to 575 K. Nonetheless, it shows a significant surface electronic structure changes under reaction environments, which are highly relevant to heterogeneous catalysis. As expected, high (low) population of metallic (oxidised) Co was observed, while retaining core shell structure under reduction (H(2)and vacuum annealing) environment. Interestingly, the Pd-Co metallic interface helps to overcome the pyrophoric nature of cobalt and stabilised a significant amount of metallic Co at Pd-Co interface even in the presence of 0.1 mbar O(2)up to 575 K. The presence of Pd-Co and Pd-Co@Co(3)O(4)interfaces in reaction environment makes the catalyst dual functional. The proof of concept has been explored in terms of oxidation of CO in the presence of H(2)or O-2.
}, keywords = {Core-Shell morphology, Electronic Structure, heterogeneous catalysis, interface, XPS}, issn = {1867-3880}, doi = {10.1002/cctc.202000644, Early Access Date = JUN 2020}, author = {Jain, Ruchi and Gopinath, Chinnakonda S.} } @article {46641, title = {Electronic structure parameter of nuclear magnetic quadrupole moment interaction in metal monofluorides}, journal = {Journal of Chemical Physics}, volume = {153}, year = {2020}, month = {NOV}, pages = {184306}, type = {Article}, abstract = {
The electronic structure parameter (W-M) of the nuclear magnetic quadrupole moment (MQM) interaction in numerous open-shell metal monofluorides (viz., MgF, CaF, SrF, BaF, RaF, and PbF) is computed in the fully relativistic coupled-cluster framework. The electron-correlation effects are found to be very important for the precise calculation of W-M in the studied molecular systems. The molecular MQM interaction parameter scales nearly as Z(2) in the alkaline earth metal monofluorides, where Z is the nuclear charge of metal. Our study identifies (RaF)-Ra-223 as a good candidate for the experimental search of the nuclear MQM, which can help unravel the physics beyond the standard model in the hadron sector of matter.
}, issn = {0021-9606}, doi = {10.1063/5.0028669}, author = {Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {46900, title = {Electrospun fibers and sorbents as a possible basis for effective composite wound dressings}, journal = {Micromachines}, volume = {11}, year = {2020}, month = {APR}, pages = {441}, type = {Article}, abstract = {
Skin burns and ulcers are considered hard-to-heal wounds due to their high infection risk. For this reason, designing new options for wound dressings is a growing need. The objective of this work is to investigate the properties of poly (epsilon-caprolactone)/poly (vinyl-pyrrolidone) (PCL/PVP) microfibers produced via electrospinning along with sorbents loaded with Argovit (TM) silver nanoparticles (Ag-Si/Al2O3) as constituent components for composite wound dressings. The physicochemical properties of the fibers and sorbents were characterized using scanning electron microscopy (SEM), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR) and inductively coupled plasma optical emission spectroscopy (ICP-OES). The mechanical properties of the fibers were also evaluated. The results of this work showed that the tested fibrous scaffolds have melting temperatures suitable for wound dressings design (58-60 degrees C). In addition, they demonstrated to be stable even after seven days in physiological solution, showing no macroscopic damage due to PVP release at the microscopic scale. Pelletized sorbents with the higher particle size demonstrated to have the best water uptake capabilities. Both, fibers and sorbents showed antimicrobial activity against Gram-negative bacteria Pseudomona aeruginosa and Escherichia coli, Gram-positive Staphylococcus aureus and the fungus Candida albicans. The best physicochemical properties were obtained with a scaffold produced with a PCL/PVP ratio of 85:15, this polymeric scaffold demonstrated the most antimicrobial activity without affecting the cell viability of human fibroblast. Pelletized Ag/Si-Al2O3-3 sorbent possessed the best water uptake capability and the higher antimicrobial activity, over time between all the sorbents tested. The combination of PCL/PVP 85:15 microfibers with the chosen Ag/Si-Al2O3-3 sorbent will be used in the following work for creation of wound dressings possessing exudate retention, biocompatibility and antimicrobial activity.
}, keywords = {electrospinning, poly (epsilon-caprolactone), poly (vinyl pyrrolidone), silver sorbents, wound dressings}, doi = {10.3390/mi11040441}, author = {Saul Alvarez-Suarez, Alan and Dastager, Syed G. and Bogdanchikova, Nina and Grande, Daniel and Pestryakov, Alexey and Carlos Garcia-Ramos, Juan and Lizeth Perez-Gonzalez, Graciela and Juarez-Moreno, Karla and Toledano-Magana, Yanis and Smolentseva, Elena and Antonio Paz-Gonzalez, Juan and Popova, Tatiana and Rachkovskaya, Lyubov and Nimaev, Vadim and Kotlyarova, Anastasia and Korolev, Maksim and Letyagin, Andrey and Jesus Villarreal-Gomez, Luis} } @article {46821, title = {Electrospun nanofibers of Tin phosphide (SnP0.94) nanoparticles encapsulated in a carbon matrix: a tunable conversion-cum-alloying lithium storage anode}, journal = {Energy \& Fuels}, volume = {34}, year = {2020}, month = {JUN}, pages = {7648-7657}, type = {Article; Proceedings Paper}, abstract = {
Anodes with improved Li storage capability are required for next-generation lithium batteries. In this work we report a convenient synthesis strategy, based on electrospinning followed by reduction and phosphorization, to prepare a tin phosphide (SnP0.94) phase in a carbon nanofiber matrix. The layered structure offered by the SnP0.94 phase, along with its small size (5-20 nm) encapsulated in the conducting carbon matrix, leads to promising electrochemical Li storage characteristics. This composite has a capacity of 750 mAh g(-1) at 100 mA g(-1) with good cycling and rate stability. Electrochemical studies revealed a faster diffusion coefficient (1.86 x 10(-11) cm(2) s(-1)) for Li in the composite compared to the bare SnP0.94 (8.57 x 10(-14) cm(2) s(-1)), confirming the promise of this class of materials for cation storage in battery anodes.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.0c01046}, author = {Yadav, Poonam and Malik, Wahid and Dwivedi, Pravin Kumari and Jones, Lathe A. and Shelke, Manjusha V.} } @article {46817, title = {Electrospun poly(3-hydroxybutyrate-co-3-hydroxyvalerate)/polyethylene oxide (PEO) microfibers reinforced with ZnO nanocrystals for antibacterial and antibiofilm wound dressing applications}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {JUN}, pages = {9754-9766}, type = {Article}, abstract = {
Biocompatible and biodegradable polymers are extensively used in designing wound dressing materials. The present investigation deals with the preparation of a unique blend of zinc oxide (ZnO) nanoparticles incorporated in poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV)/polyethylene oxide (PEO) microfibersviaan electrospinning technique for antibacterial, antibiofilm and wound dressing applications. This composite was prepared by incorporating previously synthesized ZnO NPs with better antibacterial and antibiofilm activity in PHBV-PEO (4 : 1) polymers in chloroform solution. Scanning electron microscopy (SEM) and Fourier transform infrared (FT-IR) spectroscopy confirmed that ZnO NPs were incorporated in the PHBV-PEO microfibers. The synthesized microfibers exhibited enhanced mechanical properties after the incorporation of ZnO NPs. The results of antibacterial and antibiofilm activity of the prepared microfibers revealed that the incorporated ZnO NPs in different concentrations (1\%, 3\%, and 5\%) showed different degrees of antibacterial activity against pathogenic Gram-positiveStaphylococcus aureus(NCIM 2654) and Gram-negativePseudomonas aeruginosa(NCIM 5032), which are the main bacteria found in wound infections. The PHBV-PEO-ZnO microfibers exhibited excellent hemocompatibility with improved swelling behavior after the incorporation of ZnO NPs.In vitrocytotoxicity assays revealed the non-toxic nature of the prepared PHBV-PEO-ZnO microfibers. The current work confirms that utilizing a unique blend of the biodegradable, biocompatible, thermoplastic and hydrophobic natural polymer PHBV with hydrophobic, biodegradable, non-toxic and synthetic polymer PEO with ZnO NPs holds great potential for use as an antibacterial and antibiofilm material for wound dressing applications.
}, issn = {1144-0546}, doi = {10.1039/d0nj01384f}, author = {Mahamuni-Badiger, Pranjali P. and Patil, Pooja M. and Patel, Pratikshkumar R. and Dhanavade, Maruti J. and Badiger, V. Manohar and Marathe, Yogesh N. and Bohara, Raghvendra A.} } @article {46861, title = {Electrostatic manifestation of micro-heterogeneous solvation structures in deep-eutectic solvents: a spectroscopic approach}, journal = {Journal of Physical Chemistry B}, volume = {124}, year = {2020}, month = {MAY }, pages = {3709-3715}, type = {Article}, abstract = {
Deep eutectic solvents have emerged as inexpensive green alternatives to conventional solvents for diverse applications in chemistry and biology. Despite their importance as useful media in various applications, little is known about the microscopic solvation structures of deep eutectic solvents around solutes. Herein, we show that the electrostatic field, which can be estimated both from infrared experiments and theory, can act as a unified concept to report on the microscopic heterogeneous solvation of deep eutectic solvents. Using a fluorophore containing the carbonyl moiety as the solute and the electrostatic field as a descriptor of the solvation structure of the deep eutectic solvents, we report the residue-specific distribution, orientation, and hydrogen bonding in deep eutectic solvents constituting of choline chloride and alcohols of varying chain-lengths. We observe that an increase in alcohol chain-length not only affects the alcohol{\textquoteright}s propensity to form hydrogen bond to the solute but also alters the spatial arrangement of choline cations around the solute, thereby leading to a microheterogeneity in the solvation structure. Moreover, to extend our electrostatic field based strategy to other deep eutectic solvents, we report an emission spectroscopy based method. We show that this method can be applied, in general, to all deep eutectic solvents, irrespective of their constituents. Overall, this work integrates experiments with molecular dynamics simulations to provide insights into the heterogeneous DES solvation.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.9b11352}, author = {Chatterjee, Srijan and Haldar, Tapas and Ghosh, Deborin and Bagchi, Sayan} } @article {46747, title = {Elucidating the effect of CaF 2 on structure, biocompatibility and antibacterial properties of S53P4 glass}, journal = {Journal of Alloys and Compounds}, volume = {831}, year = {2020}, month = {AUG }, pages = {154704}, type = {Article}, abstract = {
The present work focuses on the synthesis and structural elucidation of fluoride containing bioactive glasses in the system (in mol\%) given by (53.86) SiO2\ {\textendash} (22.65) Na2O {\textendash} (21.77-x) CaO {\textendash} (1.72) P2O5\ {\textendash} x CaF2, where, x\ =\ 0, 5.44, 10.885 and 16.33. The role of the incorporated fluoride and its distribution within the glass were interpreted and analyzed using Molecular dynamics (MD) simulations and the results were compared with the modified random network (MRN) model. The interpretations from the model have been verified using the MAS-NMR spectroscopy technique. According to this model, fluoride containing bioactive glasses have been proposed to consist of silicate rich network regions and modifier cation {\textendash} fluoride rich inter-network regions. The interface region was found to consist of non-bridging oxygen species (NBO) and phosphate cations which are either isolated orthophosphates (Q0P) or bridged with silicates in the form of pyrophosphate (Q1P) units forming Si{\textendash}O{\textendash}P bonds. The gradual substitution of CaF2\ for CaO in the base glass resulted in an increase in the silicate network connectivity with a reduction in the NBOs and lead to an increase in the association of modifier cations with fluoride ions. However, fluoride ions were found to show a marginal preference to associate with Na+\ cations leading to a decrease in the association of Na+\ ions with orthophosphate and silicate units. These overall structural findings were correlated with the\ in\ vitro\ ion dissolution behaviour of the bioactive glasses as well as with the thermal properties. The glasses were tested for their\ in\ vitro\ cell viability towards mouse osteoblast type (MC3T3) cells in which fluoride containing bioactive glasses did not show any toxicity and exhibited better cell proliferation. The antibacterial efficacy of the fluoride containing glasses was tested at various concentrations (5, 10 and 20\ mg/ml) in\ E.coli\ bacterial inoculum in which bactericidal action was evidenced.
}, keywords = {Fluoride bioactive glasses, In~vitro apatite formation and bactericidal action, MAS-NMR spectroscopy, MD simulations}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2020.154704}, author = {Prasad, Sakthi and Ganisetti, Sudheer and Jana, Anuradha and Kant, Shashi and Sinha, P. K. and Tripathy, Sucheta and Illath, Kavya and Ajithkumar, T. G. and Annapurna, K. and Allu, Amarnath R. and Biswas, Kaushik} } @article {46779, title = {Enantio- and diastereocontrolled conversion of chiral epoxides to trans-cyclopropane carboxylates: application to the synthesis of cascarillic acid, grenadamide and L-(-)-CCG-II (vol 10, pg 6987, 2012)}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {JUL}, pages = {5264}, type = {Correction}, issn = {1477-0520}, doi = {10.1039/d0ob90090g}, author = {Kumar, Pradeep and Dubey, Abhishek and Harbindu, Anand} } @article {46851, title = {Enantioselective separation using chiral amino acid functionalized polyfluorene coated on mesoporous anodic aluminum oxide membranes}, journal = {Analytical Chemistry}, volume = {92}, year = {2020}, month = {MAY }, pages = {6850-6857}, type = {Article}, abstract = {
Homochiral mesoporous anodic aluminum oxide membranes (AAO) were prepared by coating protected chiral D/L aspartic acid appended polyfluorene in the pores. These chiral AAO membranes successfully demonstrated enantioselective recognition and separation of a range of amino acids from their aqueous racemic mixture by simple filtration. Enantioselective separation was achieved by selective adsorption of one enantiomer from the aqueous racemic mixture into the chiral pores of the AAO membrane leaving the filtrate enriched with the other enantiomer. Extraction and quantification of the adsorbed amino acid (glutamic acid) demonstrated that 1 mg of homochiral polyfluorene could effectively extract about 3.5 mg of glutamic acid with 95\% enantiomeric excess in 24 h. This is one of the highest enantiomeric excesses (ee \%) and yields reported so far in the literature for a racemic mixture of glutamic acid. The pore size of the AAO membrane influenced the efficiency of separation with a reduction in pore size from 200 to 20 nm leading to reduced ee \% (similar to 95\% to similar to 28\%). These results raise the possibility for a facile method to carry out enantioselective separation.
}, issn = {0003-2700}, doi = {10.1021/acs.analchem.9b04699}, author = {Nikam, Shrikant B. and Asha, S. K.} } @article {46633, title = {Enantioselective synthesis of gamma-phenyl-gamma-amino vinyl phosphonates and sulfones and their application to the synthesis of novel highly potent antimalarials}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {NOV }, pages = {29025-29037}, type = {Article}, abstract = {
Racemic and enantioselective syntheses of gamma-phenyl-gamma-amino vinyl phosphonates and sulfones have been achieved using Horner-Wadsworth-Emmons olefination of trityl protected alpha-phenyl-alpha-amino aldehydes with tetraethyl methylenediphosphonate and diethyl ((phenylsulfonyl)methyl)phosphonate, respectively, without any racemization. The present strategy has also been successfully applied to the synthesis of peptidyl vinyl phosphonate and peptidyl vinyl sulfone derivatives as potential cysteine protease inhibitors of Chagas disease, K11002, with 100\% de. The developed synthetic protocol was further utilized to synthesize hybrid molecules consisting of artemisinin as an inhibitor of major cysteine protease falcipain-2 present in the food vacuole of the malarial parasite. The synthesized artemisinin-dipeptidyl vinyl sulfone hybrid compounds showed effective in vitro inhibition of falcipain-2 and potent parasiticidal efficacies against Plasmodium falciparum in nanomolar ranges. Overall, the developed synthetic protocol could be effectively utilized to design cysteine protease inhibitors not only as novel antimalarial compounds but also to be involved in other life-threatening diseases.
}, issn = {2470-1343}, doi = {10.1021/acsomega.0c03470}, author = {Aratikatla, Eswar K. and Kalamuddin, Md and Malhotra, Pawan and Mohmmed, Asif and Bhattacharya, Asish K.} } @article {46782, title = {Enantioselective synthesis of tricyclic beta-lactones by NHC-catalyzed desymmetrization of cyclic 1,3-diketones}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {JUL}, pages = {5407-5411}, type = {Article}, abstract = {
The NHC-catalyzed desymmetrization of cyclic-1,3-diketones allowing the enantioselective construction of tricyclic beta-lactones with five contiguous stereocenters, including two quaternary stereocenters, has been developed. The mild and operationally simple addition of a-bromoenals to cyclopentane-1,3-diketone derivatives proceeds via the initial formation of chiral alpha,beta-unsaturated acylazolium intermediates and culminates in a cascade reaction, following the Michael-aldol-Iactonization pathway to deliver the beta-lactone derivatives in moderate to good yields and excellent selectivity.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c01756}, author = {Shee, Sayan and Mukherjee, Subrata and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {47019, title = {Energetic and exergetic performance of NH3-H2O-based absorption refrigeration cycle: effect of operating factor}, journal = {International Journal of Exergy}, volume = {31}, year = {2020}, month = {JAN}, pages = {352-369}, type = {Article}, abstract = {
One of the major objectives while designing the vapour absorption refrigeration system (VARS) is to acquire better performance within the accessible heat source and sink temperature limit. In this paper, attempts are made to identify the temperature limit for the optimisation of a single stage ammonia refrigeration system (AAR) by performing a thermodynamic analysis. To estimate the potential of utilisation of low-grade heat energy, operating factor (R) is considered towards optimising the energetic (COP) and exergetic COP (ECOP). The simulated COP and ECOP results are expended to predict the feasibility and optimum operating region for an AAR cycle in terms of theRand various operating temperatures such asT(gen),T-abs,T-cond,T-e. The operating factorRcovers a wide range of applications i.e., from deep-freezing (253.15 K) to air conditioning (283.15 K) and from water-cooling (303.15 K) to air cooling (318.15 K).
}, keywords = {AAR, ammonia absorption refrigeration, cold storage, exergy, operating factor, solar energy}, issn = {1742-8297}, doi = {10.1504/IJEX.2020.107192}, author = {Takalkar, Gorakshnath Dadabhau and Bhosale, Rahul R. and Mali, Nilesh A. and Bhagwat, Sunil S.} } @article {46837, title = {Engineering pore morphology using silica template route over mesoporous cobalt oxide and its implications in atmospheric pressure carbon dioxide hydrogenation to olefins}, volume = {19}, year = {2020}, month = {JUN}, pages = {100586}, type = {Article}, abstract = {
Highly ordered mesoporous cobalt oxides (denoted as m-Co-KIT-6 and m-Co-SBA-15) with three dimensional and two dimensional pore morphology respectively have been synthesized using 3D KIT-6, and 2D SBA-15 as silica template via nanocasting route. CO2 hydrogenation activity was evaluated for these mesoporous materials under atmospheric pressure conditions. In comparison to nanoparticles of cobalt oxide (Co3O4-nano), mesoporous catalysts showed excellent activity for CO2 hydrogenation due to their higher number of exposed active sites and lower mass diffusion limitations. The ordered mesoporous structure of Co3O4 catalysts favored the chain growth of carbon atoms for the production of C2+ hydrocarbons while Co3O4 nanoparticles showed strong selectivity toward CH4. High selectivity for C2+ (similar to 25\%) was obtained for both m-Co-KIT-6 and m-Co-SBA-15 catalysts at 320 degrees C. In addition, the 3D pore structure of m-Co-KIT-6 catalyst exclusively formed more olefins (54.9\%) fraction. (C) 2020 Published by Elsevier Ltd.
}, keywords = {CO2 hydrogenation, Mesoporous CO3O4, Olefin fraction, Pore morphology, Silica hard template}, issn = {2352-9407}, doi = {10.1016/j.apmt.2020.100586}, author = {Gupta, Sharad and Ciotonea, Carmen and Royer, Sebastien and Dacquin, Jean-Philippe and Vinod, C. P.} } @article {46639, title = {Engineering staphylococcal protein A for high-throughput affinity purification of monoclonal antibodies}, journal = {Biotechnology Advances}, volume = {44}, year = {2020}, month = {NOV }, pages = {107632}, type = {Review}, abstract = {
Protein A chromatography is one of the most widely used purification steps in the manufacturing of the various classes of recombinant and non-recombinant antibodies. Due to the higher cost, lower binding capacity, and limited life cycle of Protein A ligand, this affinity-based purification step is often one of the most significant contributors to the cost of manufacturing of monoclonal antibody (mAb) products. In the last decade, there has been significant progress in improving the Protein A chromatography throughput by designing new engineered Staphylococcal Protein A (SPA) variants with higher dynamic binding capacity, considerable alkaline tolerance, and mild acidic elution pH. This review aims at summarizing the various protein engineering approaches used for improving the throughput of the Protein A-based affinity purification of various immunoglobulins. With biopharmaceutical producers operating under ever-increasing pressure towards reducing the cost of manufacturing, these advances in engineered protein A variants will help in processing larger cell culture volumes with high throughput and thereby significantly lower the cost of raw materials.
}, keywords = {Alkaline tolerance, Dynamic binding capacity, Elution pH, Monoclonal antibodies, Protein A}, issn = {0734-9750}, doi = {10.1016/j.biotechadv.2020.107632}, author = {Amritkar, Vinod and Adat, Satish and Tejwani, Vijay and Rathore, Anurag and Bhambure, Rahul} } @article {47307, title = {Enhanced anti-ageing and wound healing properties of Ficus religiosa L. bark, leaf and aerial root extract in human keratinocytes cell line (HaCaT)}, journal = {Vegetos}, volume = {33}, year = {2020}, month = {JAN}, pages = {158-165}, type = {Article}, abstract = {
Plants have played a vital role in curative and preventive healthcare.\ Ficus religiosa\ L., a medicinally important tree has been used as a traditional medicine to treat various ailments and skin diseases. However, its skin anti-ageing properties are not yet scientifically evaluated. Here we report the comparison of\ F. religiosa\ bark (FRAqB), leaf (FRAqL) and aerial-roots (FRAqAR) extracts for skin anti-ageing and wound healing properties. FRAqB, FRAqL and FRAqAR extracts preparation, cell culture, RNA isolation, real time PCR, astringent activity and wound healing assay were carried out using standard methods. Axio Observer FL-microscope and ImageJ software were used for wound healing assay analysis. The real time PCR study reveals that matrix metalloproteinase-1 (MMP) RNA was downregulated to 75\% and 95\% for FRAqB and FRAqAR, respectively. For procollagen C-endopeptidase enhancer 1 (PCOLCE), FRAqB and FRAqL enhanced RNA levels by 500\% and 300\%, respectively. FRAqB and FRAqL increased wound healing area to about 60\% and FRAqAR by 50\%. All three extracts demonstrated astringent activity which is significant for skin tightening. The study proves that extracts of\ F. religiosa\ are prominent candidates for pharmaceutical and cosmetic applications such as skin anti-ageing and wound healing.
}, doi = {10.1007/s42535-019-00094-5}, author = {Pandey, Prem and Seo, Hyo Hyun and Kim, Hye-In and Ryu, Seung Hwan and Dingre, Medini and Moh, Sang Hyun and Kulkarni, Atul and Parasharami, Varsha A.} } @article {46836, title = {Enhancing the mechanical properties of 3D printed polylactic acid using nanocellulose}, journal = {Polymer Engineering and Science}, volume = {60}, year = {2020}, month = {AUG}, pages = {1842-1855}, type = {Article}, abstract = {
We report here a systematic investigation of the mechanical properties of polylactic acid (PLA) processed by fused filament fabrication (FFF) 3D printing vs PLA processed by compression molding. Our results show that the tensile strength and modulus of FFF-PLA is 49\% and 41\% lower, respectively, than compression molded samples of PLA. We also demonstrate here an approach to augment the mechanical properties of 3D printed PLA using nanocellulose. Incorporation of a small quantity (1 wt\%) of cellulose nanofibers (CNF) was found to enhance the tensile strength and modulus of 3D printed PLA by 84\% and 63\%, respectively. X-ray microtomography was used to probe the morphology of 3D printed PLA and PLA/CNF composites. 3D printed PLA/CNF composites had significantly lesser voids as compared to neat 3D printed PLA. Differential scanning calorimetry study revealed that CNF can accelerate the nucleation and crystallization of 3D printed PLA leading to enhanced crystallinity. The thermal stability of 3D printed PLA/CNF composites was not compromised by the addition of CNF. The enhanced mechanical properties of 3D printed PLA/CNF composites can be ascribed to higher crystallinity and lesser defects.
}, keywords = {3D printing, Biocomposites, composites, fused filament fabrication (FFF), Nanocellulose, polylactic acid (PLA)}, issn = {0032-3888}, doi = {10.1002/pen.25421, Early Access Date = JUN 2020}, author = {Ambone, Tushar and Torris, Arun and Shanmuganathan, Kadhiravan} } @article {46971, title = {Enhancing thermomechanical and chemical stability of polymer electrolyte membranes using polydopamine coated nanocellulose}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {FEB}, pages = {1988-1999}, type = {Article}, abstract = {
We report here an approach to enhance the chemical and thermomechanical stability of polymer electrolyte membranes without compromising proton conductivity. Multifunctional polydopamine coated nanocellulose (PNC) was prepared by oxidative polymerization of dopamine on nano cellulose fibers and subsequently incorporated in Nafion by solution blending. PNC had a very significant effect on the thermomechanical properties of Nafion showing up to 200\% improvement in the storage modulus at 90 degrees C. The PNC network also enhanced the dimensional stability of Nafion under constant stress. The 3 wt \% PNC composite membrane showed a drastic reduction in creep compliance of about 39.9\% and 46.5\% in J(max) at 30 degrees and 60 degrees C, respectively. Free radical scavenging properties of polydopamine also helped to significantly enhance the chemical stability of Nafion, which was ascertained by accelerated degradation tests conducted in Fenton{\textquoteright}s reagent at 70 degrees C over 40 days. F-19 CP MAS solid state NMR, FTIR, and tensile tests on the membranes show higher chemical stability of the 3 wt \% PNC composite membrane. The proton conductivity of the 3 wt \% PNC composite membrane at 90 degrees C and 100\% RH (similar to 125 mS/cm) was slightly higher than the Nafion membrane (similar to 94 mS/cm) at similar conditions. The retention of proton conductivity even with lower water uptake could be ascribed to proton hopping through polydopamine coated nanocellulose. Performance of the composite membrane was also evaluated in a single stack fuel cell and found to be better than recast Nafion. The benefits derived by this approach are not restricted to Nafion alone and shall broadly apply to many other polymer membranes.
}, keywords = {cellulose nanofibers, chemical stability, dimensional stability, fuel cell, polydopamine, polymer electrolyte membrane}, issn = {2574-0962}, doi = {10.1021/acsaem.9b02417}, author = {Ram, Farsa and Velayutham, Parthiban and Sahu, Akhila Kumar and Lele, Ashish K. and Shanmuganathan, Kadhiravan} } @article {46929, title = {Enhancing titers and productivity of rCHO clones with a combination of an optimized fed-batch process and ER-stress adaptation}, journal = {Journal of Biotechnology}, volume = {311}, year = {2020}, month = {MAR}, pages = {49-58}, type = {Article}, abstract = {
To increase the productivity of rCHO cells, many cell engineering approaches have been demonstrated that over-express or knockout a specific gene to achieve increased titers. In this work, we present an alternate approach, based on the concept of evolutionary adaptation, to achieve cells with higher titers. rCHO cells, producing a monoclonal antibody, are adapted to ER-stress, by continuous culturing under increasing concentration of tunicamycin. A sustained higher productivity of at-least 2-fold was achieved in all the clones, in a concentration-dependent manner. Similarly, a 1.5-2 fold increase in final titers was also achieved in the batch culture. Based on metabolic analysis of the adapted cells, a fed-batch process was designed where significantly higher titersare achieved as compared to control. Metabolic flux analysis is employed in addition with gene expression analysis of key genes to understand the basis of increased performance of the adapted cells. Overall, this work illustrates how process modifications and cellular adaptation can be used in synergy to drive up product titers.
}, keywords = {Adaptive laboratory evolution, CHO cells, ER-stress, Fed-batch, Increased productivity and titers, Recombinant protein production, UPR pathway}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2020.02.008}, author = {Chandrawanshi, Vikas and Kulkarni, Rohan and Prabhu, Anuja and Mehra, Sarika} } @article {46913, title = {Enolate-mediated regioselective synthesis of 1,2,3-triazoles via azide-aldehydes or ketones [3+2]-cycloaddition reactions in aqueous phase}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {MAR}, pages = {151662}, type = {Article}, abstract = {
A synthetic route for the direct conversion of arylazides into the corresponding trizoles via phase transfer catalyst-assisted [3+2] cycloaddition reaction under basic conditions in aqueous medium is reported. This synthetic methodology, which offers high yields and excellent regioselectivity for varieties of triazoles at 100 degrees C for 24 h-48 h and this {\textquoteleft}greener{\textquoteright} synthesis constitutes an alternative to the previously reported well established click reactions. Published by Elsevier Ltd.
}, keywords = {Azides plus aldehydes or ketones, Click chemistry, triazoles, Water}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.151662}, author = {Tripathi, Anupam and Rode, V, Chandrashekhar and Llop, Jordi and Chavan, Subhash P. and Joshi, Sameer M.} } @article {46919, title = {Enteric pH responsive cargo release from PDA and PEG coated mesoporous silica nanoparticles: a comparative study in Drosophila melanogaster}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {MAR }, pages = {11716-11726}, type = {Article}, abstract = {
Physiological stimulus-specific cargo release from nanoparticle carriers is a holy grail of drug delivery research. While the majority of such work is carried out in vitro with cell lines, widespread use of common mammalian model systems - mice and rats - is difficult due to the associated cost and regulatory restrictions. Here we use the inexpensive, easily reared, excellent genetic model system Drosophila melanogaster to test pH responsive cargo release from widely used mesoporous silica nanoparticles (MSNs) coated with pH sensitive polydopamine (PDA) and polyethylene glycol (PEG) polymers. We synthesized 650 +/- 75 nm diameter PDA or PEG coated mesoporous silica nanoparticles loaded with a fluorescent dye and fed to individual adult flies. Subsequently, the passage of the particles were monitored through the fly gut. As in mammals, the fly intestine has multiple pH specific zones that are easily accessible for imaging and also genetic, biochemical or physiological manipulations. We observed that both the species of MSNs ruptured around the acidic (pH \< 4.0) middle midgut of the flies. PEG coated particles showed sharper specificity of release in the acidic middle midgut of flies than the PDA coated ones and had less tendency to clump together. Our results clearly show that the Drosophila gut can be used as a model to test pH responsive biocompatible materials in vivo. Our work paves the way for greater use of Drosophila as an in vivo complete systemic model in drug delivery and smart materials research. It also suggests that such specific delivery of chemical/biological cargo can be exploited to study basic biology of the gut cells and their communication with other organs.
}, doi = {10.1039/c9ra11019d}, author = {Sapre, Nidhi and Chakraborty, Rusha and Purohit, Poorvi and Bhat, Suresh and Das, Gaurav and Bajpe, Sneha R.} } @article {46989, title = {Enzymatic and non-enzymatic detoxification of reactive carbonyl compounds improves the oxidative stress tolerance in cucumber, tobacco and rice seedlings}, journal = {Journal of Plant Growth Regulation}, volume = {39}, year = {2020}, month = {SEP}, pages = {1359-1372}, type = {Article}, abstract = {
Detoxification of reactive carbonyl compounds (RCC) is crucial to sustain cellular activity to improve plant growth and development. Seedling growth is highly affected by accumulation of RCC under stress. We report non-enzymatic, enzymatic mechanisms of detoxification of RCC in the cucumber, tobacco and rice seedling systems exposed to glucose, NaCl, methyl viologen (MV) induced oxidative stress. The cucumber seedlings exposed to carbonyl stress had higher levels of malondialdehyde (MDA), protein carbonyls (PCs) and advanced glycation end-product N-carboxymethyl-lysine (AGE-CML) that negatively affected the seedling growth. The overexpression of enzyme encoding aldo-keto reductase-1 (AKR1) in tobacco and rice showed detoxification of RCC, MDA and methylglyoxal (MG) with improved seedling growth under glucose, NaCl and MV-induced oxidative stress. Further, small molecules like acetylsalicylic acid (ASA), aminoguanidine (AG), carnosine (Car), curcumin (Cur) and pyridoxamine (PM) showed detoxification of RCC non-enzymatically and rescued the cucumber seedling growth from glucose, NaCl and MV-stress. In autotrophically grown rice seedlings these molecules substantially improved seedling growth under MV-induced oxidative stress. Seedlings treated with the small molecules sustained higher guaiacol peroxidase (GPX) enzyme activity signifying the role of small molecules in reducing carbonyl stress-induced protein inactivation and AGE-CML protein modifications. The results showed that besides enzymatic detoxification of RCC, the small molecules also could reduce cytotoxic effect of RCC under stress. The study demonstrates that small molecules are attractive compounds to improve the seedling growth under stress conditions.
}, keywords = {Oxidative stress, plant growth, Reactive carbonyl scavengers, Seed germination, small molecules}, issn = {0721-7595}, doi = {10.1007/s00344-020-10072-w, Early Access Date = JAN 2020}, author = {Nareshkumar, Ambekar and Subbarao, Sindhu and Vennapusa, Amarnatha Reddy and Ashwin, Vargheese and Banarjee, Reema and Kulkarni, Mahesh J. and Ramu, Vemanna S. and Udayakumar, Makarla} } @article {46981, title = {Epoxy functionalized polymer grafted magnetic nanoparticles by facile surface initiated polymerization for immobilization studies of Candida Antarctica lipase B}, journal = {Reactive \& Functional Polymers}, volume = {147}, year = {2020}, month = {FEB}, pages = {104454}, type = {Article}, abstract = {
Immobilization of Candida Antarctica lipase B (Cal-B) was done on the epoxy functionalized polymer (EFP) grafted magnetic nanoparticles (MNPs) via covalent attachment with the active epoxy groups. The EFP brushes were grafted on iron-oxide based MNPs by a facile surface-initiated atom transfer radical polymerization (ATRP) using activators generated by electron transfer (AGET) of glycidyl methacrylate (GMA). Each step of the surface modification, polymer grafting, and enzyme immobilization process on the polymer grafted MNPs was studied using Fourier transform infrared spectroscopy (FTIR). A thermogravimetric analysis (TGA) calculated the amount of engineered organic components, a transmission electron microscopy (TEM) visualized the core-shell formation of the MNPs, and a vibrating sample magnetometer (VSM) validated their magnetic properties at various modification stages. The lipase immobilization efficiency was described as a function of immobilization time, as well as, enzyme amount. The activity was characterized within a range of pH, temperature, kinetic parameters, resusability and storage stability, for both the free and immoblized Cal-B enzyme. The results of this study suggested that poly(GMA) grafted MNPs can be successfully used for the immobilization of Cal-B with improved efficiencies compared to those obtained with free soluble lipase. The reported enzyme immobilization method appears to be reproducible and scalable for industrial production.
}, keywords = {Cal-B enzymes, enzymes, Immoblization, Magnetic nanoparticles}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2019.104454}, author = {Afzal, Haq Asif and Ghorpade, Ravindra V. and Thorve, Asmita K. and Nagaraja, Sreeharsha and Al-Dhubiab, Bandar E. and Meravanige, Girish and Rasool, Sahibzada Tasleem and Roopashree, Teeka S.} } @article {46621, title = {Essential gene prediction using limited gene essentiality information-an integrative semi-supervised machine learning strategy}, journal = {PloS One}, volume = {15}, year = {2020}, month = {NOV }, pages = {e0242943}, type = {Article}, abstract = {
Essential gene prediction helps to find minimal genes indispensable for the survival of any organism. Machine learning (ML) algorithms have been useful for the prediction of gene essentiality. However, currently available ML pipelines perform poorly for organisms with limited experimental data. The objective is the development of a new ML pipeline to help in the annotation of essential genes of less explored disease-causing organisms for which minimal experimental data is available. The proposed strategy combines unsupervised feature selection technique, dimension reduction using the Kamada-Kawai algorithm, and semi-supervised ML algorithm employing Laplacian Support Vector Machine (LapSVM) for prediction of essential and non-essential genes from genome-scale metabolic networks using very limited labeled dataset. A novel scoring technique, Semi-Supervised Model Selection Score, equivalent to area under the ROC curve (auROC), has been proposed for the selection of the best model when supervised performance metrics calculation is difficult due to lack of data. The unsupervised feature selection followed by dimension reduction helped to observe a distinct circular pattern in the clustering of essential and non-essential genes. LapSVM then created a curve that dissected this circle for the classification and prediction of essential genes with high accuracy (auROC \> 0.85) even with 1\% labeled data for model training. After successful validation of this ML pipeline on both Eukaryotes and Prokaryotes that show high accuracy even when the labeled dataset is very limited, this strategy is used for the prediction of essential genes of organisms with inadequate experimentally known data, such as Leishmania sp. Using a graph-based semi-supervised machine learning scheme, a novel integrative approach has been proposed for essential gene prediction that shows universality in application to both Prokaryotes and Eukaryotes with limited labeled data. The essential genes predicted using the pipeline provide an important lead for the prediction of gene essentiality and identification of novel therapeutic targets for antibiotic and vaccine development against disease-causing parasites.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0242943}, author = {Nandi, Sutanu and Ganguli, Piyali and Sarkar, Ram Rup} } @article {46765, title = {Evaluation of biomolecular interactions and cytotoxic activity of organometallic binuclear Ru(II) complexes of ferrocenyl thiosemicarbazones}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2020}, month = {JUL}, type = {Article; Early Access}, abstract = {
{Four new ferrocenyl substituted thiosemicarbazone ligands (L1-L4) and their corresponding binuclear ruthenium(II) arene complexes of the general type [(eta(6)-pcym)(L)Ru(mu-im)Ru(L)(eta(6)-p-cym)]Cl (C1-C4) and [(eta(6)-pcym)(L)Ru(mu-azpy)Ru(L)(eta(6)-p-cym)]Cl-2(C5-C8) (cym = cymene
}, keywords = {binuclear ruthenium(II) complexes, BSA binding interactions, DNA, Ferrocenyl thiosemicarbazone, HeLa human cervical carcinoma}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1798284}, author = {Khanvilkar, Priyanka and Dash, Soumya R. and Vohra, Alisagar and Devkar, Ranjitsinh and Chakraborty, Debjani} } @article {47325, title = {Evaluation of uttroside B, a saponin from Solanum nigrum Linn, as a promising chemotherapeutic agent against hepatocellular carcinoma (vol 6, 36318, 2016)}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {NOV}, pages = {20431}, type = {Correction}, abstract = {
An amendment to this paper has been published and can be accessed via a link at the top of the paper.
}, issn = {2045-2322}, doi = {10.1038/s41598-020-77440-0}, author = {Nath, Lekshmi R. and Gorantla, Jaggaiah N. and Thulasidasan, Arun Kumar T. and Vijayakurup, Vinod and Shah, Shabna and Anwer, Shabna and Joseph, Sophia M. and Antony, Jayesh and Veena, Kollery Suresh and Sundaram, Sankar and Marelli, Udaya K. and Lankalapalli, Ravi S. and Anto, Ruby John} } @article {46654, title = {EviMass: a literature evidence-based miner for human microbial associations (vol 10, 849, 2019)}, journal = {Frontiers in Genetics}, volume = {11}, year = {2020}, month = {NOV }, pages = {614051}, type = {Correction}, keywords = {Human Disease, literature mining, microbial association, Microbiome, Web server}, doi = {10.3389/fgene.2020.614051}, author = {Srivastava, Divyanshu and Baksi, Krishanu D. and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {47331, title = {Examining the compatibility of energetic plasticizer DNDA-5 with energetic binders}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {57}, year = {2020}, month = {JAN 2}, pages = {46-54}, type = {Article}, abstract = {
The requirement of developing energetic binders with suitable energetic plasticizers is to enhance the mechanical properties and to reduce glass transition temperature of propellant and explosive formulations. Compatibility of energetic plasticizer 2,4-dinitro-2,4-diazapentane (DNDA-5) with four different energetic binders viz. poly glycidyl nitrate (PGN), poly(3-nitratomethyl-3-methyloxetane) (PLN), glycidyl azide polymer (GAP) and tetra functional glycidyl azide polymer (t-GAP) was studied by using differential scanning calorimeter (DSC) and density functional theory (DFT) methods. Results obtained for the pure binder was compared with the results obtained for binder/plasticizer blend in the parameters of decomposition temperature and the format of the peak which indicated the compatibility or incompatibility of DNDA-5 with the studied binders. Glass transition temperatures of all these blends were determined by low temperature DSC and showed desirable lowering of glass transition temperature with single peak in the case of PLN. The proposed energetic plasticizer DNDA-5 has displayed its compatibility with three binders PGN, PLN and GAP employing thermal techniques. DNDA-5 has been found as incompatible when it is mixed with t-GAP. The predicted relative trend of interaction energies between plasticizer and binder has provided concurrence to results drawn from thermal studies.
}, keywords = {Computational study, DNDA-5, Glass transition temperature, plasticizing effect, thermal}, issn = {1060-1325}, doi = {10.1080/10601325.2019.1669458}, author = {Vijayalakshmi, R. and Agawane, N. T. and Talawar, M. B. and Khan, Md Abdul Shafeeuulla} } @article {46673, title = {Expeditious and solvent-free nickel-catalyzed c-h arylation of arenes and indoles (vol 10, pg 2242, 2017)}, journal = {ChemSusChem}, volume = {13}, year = {2020}, month = {NOV }, pages = {5771}, type = {Correction}, keywords = {Arylation, C-H activation, heterocycles, Homogeneous catalysis, Nickel}, issn = {1864-5631}, doi = {10.1002/cssc.202002313, Early Access Date = OCT 2020}, author = {Jagtap, Rahul A. and Soni, Vineeta and Punji, Benudhar} } @article {46657, title = {Experimental analysis of vapour-liquid phase equilibria for binary systems of diethyl carbonate with methyl, ethyl, isopropyl, n-butyl and isoamyl acetates at 95 kPa}, journal = {Journal of Chemical Thermodynamics}, volume = {150}, year = {2020}, month = {NOV}, pages = {106189}, type = {Article}, abstract = {
Experimental analysis of vapour-liquid phase equilibrium (VLE) for five binary pairs of diethyl carbonate (DEC) with methyl acetate, ethyl acetate, isopropyl acetate, n-butyl acetate and isoamyl acetate was carried out in this study. VLE data were generated experimentally at local atmospheric pressure of 95 kPa in a glass dynamic recirculation still. Reliability of data was checked with the thermodynamic consistency tests by Van Ness, infinite dilution, pure component and mean absolute deviation test. Experimental data was found to be thermodynamically consistent with all tests and data was regressed with Wilson, NRTL and UNIQUAC activity coefficient models to determine binary interaction parameters. Binary pair of DEC with n-butyl acetate has shown azeotropic behaviour with minimum boiling azeotrope and a close boiling behaviour through-out the composition range. No azeotropic behaviour was observed for the rest of the binary pairs. (c) 2020 Elsevier Ltd.
}, keywords = {Diethyl carbonate, ethyl acetate, Isobaric, Isopropyl acetate, methyl acetate, VLE}, issn = {0021-9614}, doi = {10.1016/j.jct.2020.106189}, author = {Bhoi, Bharat R. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {46801, title = {Experimental and theoretical investigations of the effect of heteroatom-doped carbon microsphere supports on the stability and storage capacity of nano-Co3O4 conversion anodes for application in lithium-ion batteries}, journal = {Nanoscale Advances}, volume = {2}, year = {2020}, month = {JUL }, pages = {2914-2924}, type = {Article}, abstract = {
Conversion-type anode materials have been intensely studied for application in Li-ion batteries (LIBs) due to their potentially higher capacities than current graphite-based anodes. This work reports the development of a high-capacity and stable anode from a nanocomposite of N and S co-doped carbon spheres (NSCSs) with Co3O4 (NSCS-Co3O4). A hydrothermal reaction of saccharose withl-cysteine was carried out, followed by its carbonization. CSs when used as supports for conversion-type materials provide efficient electron/ion transfer channels, enhancing the overall electrochemical performance of the electrodes. Additionally, the heteroatoms doped in a carbon matrix alter the electronic properties, often increasing the reactivity of the carbon surface, and they are reported to be effective for anchoring metal oxide nanoparticles. Consequently, the NSCS-Co3O4 nanocomposites developed in this work exhibit enhanced and stable reversible specific capacity over several cycles. Stable cycling behavior was observed at 1 A g(-1)with 1285 mA h g(-1) of specific capacity retained after 350 cycles along with more than 99\% of coulombic efficiency. This material shows excellent rate capability with a specific capacity of 745 mA h g(-1) retained even at a high current density of 5 A g(-1). Detailed DFT-based calculations revealed the role of doped supports in controlling the volume expansion upon lithiation.
}, issn = {2516-0230}, doi = {10.1039/dOna00261e}, author = {Dwivedi, Pravin K. and Nair, Aathira and Mehare, Rupali S. and Chaturvedi, Vikash and Joshi, Kavita and Shelke, V, Manjusha} } @article {46856, title = {Experimental vapor-liquid phase equilibrium analysis of the binary systems of aniline with xylene isomers at 93.13 kPa}, journal = {Journal of Chemical and Engineering Data}, volume = {65}, year = {2020}, month = {MAY}, pages = {2619-2624}, type = {Article}, abstract = {
In the present work, vapor-liquid phase equilibrium (VLE) analyses of binary systems of aniline with four isomers of xylene, comprising p-xylene, m-xylene, o-xylene, and ethylbenzene, are reported at 93.13 kPa. The experimental VLE data was generated in a dynamic circulating vapor-liquid, and the data was found thermodynamically consistent using the Van Ness point-to-point consistency test. The experimental VLE data was regressed with the Wilson, NRTL, and UNIQUAC activity coefficient models to obtain the binary interaction parameters. No azeotropic or close-boiling behavior was observed in any of the binary pair, and these pairs were found suitable for separation through a conventional distillation method.
}, issn = {0021-9568}, doi = {10.1021/acs.jced.0c00019}, author = {Yadav, Satyajeet S. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {46870, title = {Exploring magnetic XY behavior in a quasi-2D anisotropic triangular lattice of Cu(II) by functionalized graphene}, journal = {Inorganic Chemistry}, volume = {59}, year = {2020}, month = {MAY }, pages = {6214-6219}, type = {Article}, abstract = {
Study on magnetism in two-dimensional (2D) spin-lattices is advancing rapidly. In this work, phase-pure botallackite (Bo) (Cu-2(OH)(3)Br), a quasi-2D S = 1/2 anisotropic triangular spin-lattice is stabilized over 2D reduced graphene oxide (rGO) nanosheets via simple oxidation-reduction reaction chemistry. In comparison to polycrystalline Bo, such an anchoring resulted in the oriented growth of Bo crystallites in the Bo-rGO system. The Bo-rGO nanocomposite was found to be magnetically active with a Neel transition at 8.9 K, crossing over to possible XY anisotropy at similar to 5 K-as revealed by complementary dc and ac susceptibility measurements-an unprecedented observation in the field assigned to an interfacial effect. This work demonstrates the potential usage of nonmagnetic 2D functionalized graphene to significantly modulate the magnetic properties of 2D spin-lattices.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.0c00315}, author = {Gupta, Kriti and Dadwal, Arun and Jha, Plawan Kumar and Jain, Anil and Yusuf, S. M. and Joy, Pattayil A. and Ballav, Nirmalya} } @article {47012, title = {Exploring the pharmacological potentials of biosurfactant derived from planococcus maritimus SAMP MCC 3013}, journal = {Current Microbiology}, volume = {77}, year = {2020}, month = {MAR}, pages = {452-459}, type = {Article}, abstract = {
Therapeutic potential of biosurfactant (BS) has been improved in recent years. Our present study deals with production of BS from Planococcus maritimus SAMP MCC 3013 in a mineral salt medium (MSM) supplemented with glucose (1.5\% w/v). Further, BS has been purified and partially characterized as glycolipid type through our previous publication. Current research article aimed to evaluate biological potential of BS against Mycobacterium tuberculosis, Plasmodium falciparum and cancerous cell lines. Planococcus derived glycolipid BS was found to be a promising inhibitor of M. tuberculosis (MTB) H37Ra at IC50 64.11 +/- 1.64 mu g/mL and MIC at 160.8 +/- 1.64 mu g/mL. BS also showed growth inhibition of P. falciparum at EC50 34.56 +/- 0.26 mu M. Additionally, BS also displayed the cytotoxicity against HeLa (IC50 41.41 +/- 4.21 mu g/mL), MCF-7 (IC50 42.79 +/- 6.07 mu g/mL) and HCT (IC50 31.233 +/- 5.08 mu g/mL) cell lines. Molecular docking analysis was carried for the most popular glycolipid type BS namely Rhamnolipid (RHL) aiming to interpret the possible binding interaction for anti-tubercular and anti-cancer activity. This analysis revealed the involvement of RHL binding with enoyl reductase (InhA) of M. tuberculosis. Docking studies of RHL with tubulin directed several hydrophobic and Vander Waal interactions to exhibit anti-cancer potential. The present study will be helpful for further development of marine bioactive molecules for therapeutic applications. Their anti-tubercular, anti-plasmodial and cytotoxic activities make BS molecules as a noteworthy candidate to combat several diseases. To the best of our knowledge, this is the first report on projecting the pharmacological potential of Planococcus derived BS. Graphic
}, issn = {0343-8651}, doi = {10.1007/s00284-019-01850-1, Early Access Date = JAN 2020}, author = {Waghmode, Samadhan and Swami, Sagar and Sarkar, Dhiman and Suryavanshi, Mangesh and Roachlani, Sneha and Choudhari, Prafulla and Satpute, Surekha} } @article {46905, title = {Extractive distillation configuration for nitric acid dehydration using sulfuric acid as a solvent}, journal = {Industrial \& Engineering Chemistry Research}, volume = {59}, year = {2020}, month = {APR }, pages = {6183-6193}, type = {Article}, abstract = {
In this work, an extractive distillation configuration for dehydration of nitric acid is proposed with sulfuric acid as a solvent. Thermodynamic modeling of the vapor-liquid equilibrium of binary and ternary systems of nitric acid/water/sulfuric acid is carried out using the electrolyte non-random two-liquid (eNRTL-RK) thermodynamic property method in the Aspen plus process simulator. The model performance is validated by comparing the experimental data with the estimated data by the eNRTL-RK model and is found to be in good agreement. The thermodynamic model is then used for developing a triple-column extractive distillation sequence, comprising a preconcentration column, an extractive distillation column, and a solvent recovery column. The configuration is designed, simulated, and optimized to concentrate dilute nitric acid using sulfuric acid as a solvent to break the nitric acid-water azeotrope. The operating and structural parameters of the distillation configuration are optimized simultaneously with an objective of minimizing the energy consumption and the total annual cost (TAC) of the overall configuration.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.0c00052}, author = {Ghuge, Pravin D. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {46684, title = {Fabrication of mesoporous carbon supported Ni-Mo catalysts for the enhanced conversion of glucose to ethylene glycol}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {OCT}, pages = {15958-15965}, type = {Article}, abstract = {
Mesoporous carbon (MC)-supported Ni-Mo catalysts with varying amounts of Ni (x= 0, 3, 6 and 9 wt\%) and Mo (y= 0, 10, 15 and 20 wt\%) were prepared using the wet-impregnation method and characterized. Their catalytic activity in the selective conversion of aqueous glucose solution (15 wt\%) to ethylene glycol (EG) in a batch reaction was investigated. A catalyst, with 3\% Ni and 15\% Mo on MC showed the highest activity and selectivity. The complete conversion of glucose with 63.2\% yield of EG was obtained in a reaction conducted for 6 h at 200 degrees C and 40 bar hydrogen pressure. A synergistic enhancement in catalytic performance was found when both Ni and Mo were present in the catalyst composition. The dispersion of Mo enhanced in presence of Ni and a part of Mo was reduced from +6 to lower oxidation states (+5 and +4), which imparted the acidity of the catalyst. Ni facilitated the hydrogenation activity and acid sites on Mo led to the retro-aldol reaction forming higher amounts of EG. The catalyst was found to be reusable.
}, issn = {1144-0546}, doi = {10.1039/d0nj03196h}, author = {Kirali, Arun Arunima and Sreekantan, Sreejith and Marimuthu, Banu} } @article {46911, title = {Fe3+ stabilized 3D cross-linked glycine-melamine formaldehyde networks as precursor for highly efficient oxygen reduction catalyst in alkaline media}, journal = {Materials Letters}, volume = {264}, year = {2020}, month = {APR 1}, pages = {127365}, type = {Article}, abstract = {
Development of inexpensive oxygen reduction electrocatalyst with high activity and durability is very important. Herein, iron carbide encapsulated pod-like graphitic carbon structures were prepared by simple pyrolysis involving Fe-glycine complex integrated melamine-formaldehyde resin precursor. The best catalyst among those studied, Fe-Gly 2 MF-C, possessing high degree of graphitization (I-D /I-G = 0.99) and enhanced specific surface area (205 m(2)/g) exhibited the highest ORR activity with a half-wave potential of 0.80 V in alkaline medium through the four-electron reduction pathway. (C) 2020 Elsevier B.V. All rights reserved.
}, keywords = {fuel cell, Graphitic carbon alloy, Iron carbide, ORR}, issn = {0167-577X}, doi = {10.1016/j.matlet.2020.127365}, author = {Kottarathil, Shijina and Illathvalappil, Rajith and Nisa, S. and Sailaja, G. S. and Mohamed, Peer A. and Nair, Balagopal N. and Gopinathan, Anilkumar M. and Kurungot, Sreekumar and Yamaguchi, Takeo and Hareesh, U. S.} } @article {46649, title = {FeCl3-catalyzed oxidative decarboxylation of aryl/heteroaryl acetic acids: preparation of selected API impurities}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {NOV }, pages = {8459-8466}, type = {Article}, abstract = {
There is an ever-increasing demand for impurity compounds for use in impurity profiling as regulatory agencies seek information during registration. Herein, we report the FeCl3-catalyzed oxidative decarboxylation of aryl- and heteroaryl acetic acids to the corresponding carbonyl compounds. A variety of useful aldehydes and ketones were prepared in a simple one-pot transformation by employing an environmentally benign, low-cost, and readily available iron salt. The utility of this method has been demonstrated by preparing five valuable API impurities including a multi-gram-scale synthesis of ketorolac impurity B for the first time.
}, issn = {1477-0520}, doi = {10.1039/d0ob01790f}, author = {Gangadurai, Chinnakuzhanthai and Illa, Giri Teja and Reddy, D. Srinivasa} } @article {46940, title = {FeNx/FeSx-anchored carbon sheet-carbon nanotube composite electrocatalysts for oxygen reduction}, journal = {ACS Applied Nano Materials}, volume = {3}, year = {2020}, month = {MAR}, pages = {2234-2245}, type = {Article}, abstract = {
Even though various Pt-free electrocatalysts for oxygen reduction reaction (ORR) have been introduced, many of them are found to be active only in alkaline conditions. Considering Nafion, phosphoric acid-doped polybenzimidazole (PBI), and so on as the prominent ionomer membranes, used in the commercially available polymer electrolyte membrane fuel cells (PEMFCs), it becomes important that any development on the Pt-free catalysts should ensure the better ORR performance under acidic conditions. The present work effectively tackles this issue, where an ORR-based catalyst could be prepared with simultaneous incorporation of both Fe-N and Fe-S active sites on in situ generated carbon sheets which are spatially separated by the carbon nanotube (CNT) network. This catalyst shows ability to perform under both acidic and basic conditions. This has been achieved by growing a polyethylenedioxythiophene polymer network in the presence of CNT and melamine followed by its pyrolysis under an inert atmosphere. The catalyst formed at 900 degrees C (PMCNT-900) displays 0.94 V onset potential for ORR under acidic electrolyte conditions, which corresponds to 60 mV overpotential compared to its 40 wt \% Pt/C counterpart. Interestingly, in single cell demonstration of Nafion-based PEMFC with PMCNT-900 as the cathode catalyst, the system delivered a maximum power density (PD) of 500 and 275 mW/cm(2) at 60 degrees C under H-2-O-2 and H-2-air feed conditions, respectively. On the other hand, in a single cell test in the anion exchange membrane fuel cell (AEMFC) mode, a maximum power density of 65 mW/cm(2) at 50 degrees C could be achieved with the same cathode catalyst, which is a comparable value obtained while employing Pt/C as the cathode. These results, thus, infer to the efficiency of the catalyst to facilitate ORR under the extreme pH conditions, and particularly its performance under acidic condition reveals its prospect as a potential Pt-free electrocatalyst to serve in the Nafion-based systems.
}, keywords = {carbon nanotube, electrocatalyst, fuel cell, oxygen reduction reaction, Pt-free ORR}, issn = {2574-0970}, doi = {10.1021/acsanm.9b02335}, author = {Bhange, Siddheshwar N. and Soni, Roby and Singla, Gourav and Ajithkumar, T. G. and Kurungot, Sreekumar} } @article {46689, title = {Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with pi-stacking interactions}, journal = {Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials}, volume = {76}, year = {2020}, month = {OCT}, pages = {850-864}, type = {Article}, abstract = {
The synthetically modified green fluorescent protein chromophore analogue 3,4,5-trimethoxybenzylidene imidazolinone (1) yielded five polymorphs (I, II, III, IV, V) concomitantly irrespective of the solvent used for crystallization. The pentamorphic modification of 1 is solely due to the interplay of iso-energetic weak intermolecular interactions in molecular associations as well as the conformational flexibility offered by a C-C single bond, which connects the electron-deficient moiety imidazolinone with the electron-rich trimethoxybenzylidene group. A common structural feature observed in all the polymorphs is the formation of a {\textquoteleft}zero-dimensional{\textquoteright} centrosymmetric dimeric unit through a short and linear C-H center dot center dot center dot O hydrogen bond engaging phenyl C-H and imidazolinone carbonyl oxygen. However, the networking of these dimeric units showed a subtle difference in all the polymorphs. The 2D isostructurality was observed between polymorphs I, II and III, while the other two polymorphs IV and V revealed only {\textquoteleft}zero-dimensional{\textquoteright} isostructurality. The different fluorescence emissions of Form I (blue) and Forms II to V (yellow) were attributed to the differences in pi-stacking interactions. It shows that one can modulate the photophysical properties of these smart materials by slightly altering their crystal structure. Such an approach will aid in developing new multi-colour organic fluorescent materials of varying crystal structures for live-cell imaging and fluorescent sensing applications.
}, keywords = {green fluorescent protein, hydrogen bonds, isostructurality, photoluminescence, pi-stacking, Polymorphs}, doi = {10.1107/S2052520620010343}, author = {Mali, Bhupendra P. and Dash, Soumya Ranjan and Nikam, Shrikant B. and Puthuvakkal, Anisha and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {46883, title = {Flexible energy storage device based on poly(N-phenylglycine), an incentive-energy pseudocapacitive conducting polymer, and electrochemically exfoliated graphite sheets}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {APR}, pages = {6433-6441}, type = {Article}, abstract = {
Poly(N-phenylglycine) (PNPG), an original pseudocapacitive conjugative conducting polymer (CP), was synthesized by the electro-oxidative polymerization method. The synthesis process involves in situ polymerization and electro-deposition of N-phenylglycine onto the surface of highly conductive, few-layered, exfoliated flexible graphite sheets (EFGSs). At first, the promising features of the conjugative structure of the as-prepared protonated PNPG were thoroughly investigated by UV-vis absorption spectrophotometry, micro-Raman spectroscopy, and X-ray photoelectron spectroscopy analysis. The protonated nitrogen groups facilitate the rapid accessibility of counter ions from the electrolyte. Electrochemical studies revealed that the PNPG/E-FGS electrode exhibits an extraordinary areal specific capacitance of 367 mF cm(-2) at 10 mV s(-1). A flexible solid-state symmetrical supercapacitor was further fabricated using PNPG/E-FGS electrodes, exhibiting a specific capacitance as high as 199 mF cm(-2) at 1 mA cm(-2) with an operating voltage of 1.1 V. Furthermore, the device delivered an excellent specific energy of 8.36 mu W h cm(-2) at a power density of 1.65 mW cm(-2) in a working potential window of 1.1 V. More significantly, the energy density was nearly doubled to 16.1 mu W h cm(-2) upon extending the potential window from 1.1 to 1.5 V. The extremely redox-active CP electrode is highly suitable for applications in high-energy electrochemical capacitors with wide operating potential window.
}, keywords = {conducting polymer, electro-polymerization, exfoliated graphite, flexible supercapacitor, poly(N-phenylglycine)}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.0c00880}, author = {Muniraj, Vedi Kuyil Azhagan and Boukherroub, Rabah and Shelke, Manjusha Vilas} } @article {46663, title = {Flim-MAP: gene context based identification of functional modules in bacterial metabolic pathways (vol 9, 2183, 2018)}, journal = {Frontiers in Microbiology}, volume = {11}, year = {2020}, month = {OCT}, pages = {605419}, type = {Correction}, keywords = {annotation, Bacteria, functional potential, gene context, genome, metabolic pathway}, issn = {1664-302X}, doi = {10.3389/fmicb.2020.605419}, author = {Bhatt, Vineet and Mohapatra, Anwesha and Anand, Swadha and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {47338, title = {Fluoride release and fluoride-recharging ability of three different sealants}, journal = {Journal of Indian Society of Pedodontics and Preventive Dentistry}, volume = {38}, year = {2020}, month = {JUL}, pages = {247-252}, type = {Article}, abstract = {
Background: We aimed to determine the fluoride release and fluoride-recharging ability of a sealant containing surface pre-reacted glass (S-PRG) ionomer filler particles (BeautiSealant) with a fluoride-releasing resin sealant (Helioseal F), and a glass-ionomer sealant (Fuji VII). Materials: And: Methodology: Forty-eight disc-shaped specimens of each material were immersed in deionized water to determine the fluoride release utilizing a fluoride ion-selective electrode. After 21 days, 8 specimens were soaked in 0.22\% Sodium Fluoride solution for 2 min; 8 specimens were coated with 1.23\% Acidulated Phosphate Fluoride (APF) gel for 4 min, and the fluoride-recharging ability was evaluated for 40 days. Data were analyzed using one way-ANOVA and Bonferroni post hoc tests. Results: Total fluoride release over the 21-day period was: Fuji VII \> BeautiSealant \> Helioseal F, (P = 0.000). After refluoridation of the specimens with 0.22\% Sodium Fluoride solution, the cumulative fluoride release during the 40-day period for each material was: BeautiSealant \> Fuji VII \> Helioseal (P = 0.000). After exposure to 1.23\% APF gel, the cumulative fluoride release during the 40-day period for each material was: BeautiSealant \> Fuji VII \> Helioseal F (P = 0.000). Conclusion: Glass ionomer-based sealants (Fuji VII) exhibited higher initial fluoride release whilst the surface pre-reacted glass-ionomer filler containing sealant (BeautiSealant) demonstrated superior fluoride recharging properties.
}, doi = {10.4103/JISPPD.JISPPD_345_19}, author = {Patil, Sneha and Kontham, Ujwal R. and Kontham, Rakesh K. and Patil, Smita S. and Kamble, Sanjay P.} } @article {46785, title = {Functional stability and structural transitions of a kunitz trypsin inhibitor from chickpea (CaTI2)}, journal = {Protein Journal}, volume = {39}, year = {2020}, month = {AUG}, pages = {350-357}, type = {Article}, abstract = {
Enzymes are important tools for various applications. We have studied structural transitions and functional stability of a Kunitz trypsin inhibitor from Chickpea (CaTI2), a potent insect gut-protease inhibitor, under different stress conditions like non-neutral pH, elevated temperature and co-solvent concentrations. CaTI2 was cloned and expressed in an eukaryotic systemP. pastorisand was investigated for conformational transitions using circular dichroism spectroscopy, differential scanning fluorimetry and activity assay. Native CaTI2 has a sheet dominant structure with 40\% beta sheets and possess a single tryptophan residue situated in the hydrophobic core of the enzyme. The recombinant inhibitor maintained its maximum activity under alkaline pH with its secondary structure intact between pH 6-10. CaTI2 was observed to be thermally stable up to 55 degrees C with aT(m) of 61.3 degrees C above which the protein unfolds. On treating with chemical denaturant (urea), the CaTI2 lost its inhibitory potential and native conformation beyond 2 M urea concentration. Moreover, the protein unfolded at lower temperatures as the concentration of denaturant increased, suggesting more complex structural changes. Further, the stability of the inhibitor was found to be directly proportional to the solvent polarity. The data, herein offers significant information of inhibitor stability and activity which could be exploited for its further development into an effective pesticide. [GRAPHICS] .
}, keywords = {Chickpea, Circular dichroism spectroscopy, Differential scanning fluorimetry, Functional stability, Kunitz trypsin inhibitor}, issn = {1572-3887}, doi = {10.1007/s10930-020-09911-2, Early Access Date = JUL 2020}, author = {Bendre, Ameya D. and Shukla, Ekta and Ramasamy, Sureshkumar} } @article {46994, title = {Functionalization of alkynes and alkenes using a cascade reaction approach: synthesis of beta-keto sulfones under metal-free conditions}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {JAN}, pages = {716-725}, type = {Article}, abstract = {
Here, we are reporting a multicomponent cascade reaction approach for the synthesis of beta-keto sulfones by exploiting differential reactivity pattern of substrates under open-atmosphere and metal-free conditions. The coupling partners are aryldiazonium salts, unsaturated compounds, and DABSO. The optimized conditions worked well with both alkenes and alkynes. Moreover, the reaction also works with metabisulfite for the source of sulfone. The controlled liquid chromatography-mass spectrometry and O-18-labelled experiments suggested that air is a source of the incoming oxygen atom of the keto group of beta-keto sulfones.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.9b02779}, author = {Kumar, Mukesh and Ahmed, Riyaz and Singh, Maninder and Sharma, Shweta and Thatikonda, Thanusha and Singh, Parvinder Pal} } @article {46850, title = {Functionalized magnetic nanosized materials for efficient biodiesel synthesis via acid-base/enzyme catalysis}, journal = {Green Chemistry}, volume = {22}, year = {2020}, month = {MAY}, pages = {2977-3012}, type = {Review}, abstract = {
According to the principles of green chemistry, the rapid recovery and reuse of catalysts after a catalytic reaction are important factors to realize the sustainable management of chemical production processes. The functionalization of magnetic nanoparticles is the basis for the efficient separation of heterogeneous catalysts from the reaction system by using the magnetic separation technology as well as for effectively bridging heterogeneous and homogeneous catalytic processes. This can considerably improve the production efficiency and reduce energy consumption as well. Owing to important applications as a potential biofuel or fuel additive, the synthesis of biodiesel mainly from low-cost biomass feedstocks has received considerable attention in the current biorefinery research. A simple synthesis process coupled with the application of functionalized magnetic catalysts can remarkably reduce the production cost and minimize waste generation, thereby promoting the potential development of green catalytic processes for the large-scale synthesis of biodiesel. In this review, the preparation methods, structural and performance control, and protection and functionalization of magnetic nanoparticles as well as the consequent catalytic effects in the synthesis of biodiesel (mainly long-chain fatty acid methyl esters) have been reported. In addition, various representative reaction mechanisms are discussed, emphasizing the existing challenges and prospects of industrialization.
}, issn = {1463-9262}, doi = {10.1039/d0gc00924e}, author = {Wang, Anping and Sudarsanam, Putla and Xu, Yufei and Zhang, Heng and Li, Hu and Yang, Song} } @article {46722, title = {Functionalized single-walled carbon nanohorns to reinforce sulfonated poly(ether ether ketone) electrolyte for direct methanol fuel cells}, journal = {ChemElectroChem}, volume = {7}, year = {2020}, month = {SEP }, pages = {3632-3636}, type = {Article}, abstract = {
Carbon-nanomaterial-based additives are promising materials for improving the physicochemical properties of sulfonated polyether ether ketone (sPEEK) for its use as composite membrane electrolyte in direct methanol fuel cells (DMFCs). In this work, functionalized single-wall carbon nanohorns (f-SWNHs) are realized as an additive in sPEEK. The -COOH groups created on the SWNHs during peroxide treatment improve the dispersion of f-SWNHs in sPEEK and boost the proton conductivity, ion exchange capacity, mechanical properties and reduce the methanol permeability of the electrolyte. The composite membrane with 0.50 wt.\% f-SWNHs shows improved electrochemical selectivity of 17.03x10(-4) Scm(-3)s and delivers the highest peak power density of 230 mW cm(-2)in DMFCs.
}, keywords = {carbon nanohorns, direct methanol fuel cells, membrane electrolyte, proton conductivity, sulfonated poly ether ether ketone}, issn = {2196-0216}, doi = {10.1002/celc.202000866}, author = {Turanelloormana, Parameswaran and Sarmah, Sudeshna and Torris, Arun and Bhat, Santoshkumar D. and Unni, SreeKuttan M.} } @article {46890, title = {FunGeCo: a web-based tool for estimation of functional potential of bacterial genomes and microbiomes using gene context information}, volume = {36}, year = {2020}, month = {APR }, pages = {2575-2577}, type = {Article}, abstract = {
Motivation: Functional potential of genomes and metagenomes which are inferred using homology-based methods are often subjected to certain limitations, especially for proteins with homologs which function in multiple pathways. Augmenting the homology information with genomic location of the constituent genes can significantly improve the accuracy of estimated functions. This can help in distinguishing cognate homolog belonging to a candidate pathway from its other homologs functional in different pathways. Results: In this article, we present a web-based analysis platform {\textquoteleft}FunGeCo{\textquoteright} to enable gene-context-based functional inference for microbial genomes and metagenomes. It is expected to be a valuable resource and complement the existing tools for understanding the functional potential of microbes which reside in an environment.
}, issn = {1367-4803}, doi = {10.1093/bioinformatics/btz957}, author = {Anand, Swadha and Kuntal, Bhusan K. and Mohapatra, Anwesha and Bhatt, Vineet and Mande, Sharmila S.} } @article {46992, title = {Furan-derived chiral bicycloaziridino lactone synthon: collective syntheses of oseltamivir phosphate (Tamiflu), (S)-pipecolic acid and its 3-hydroxy derivatives}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {FEB }, pages = {415-424}, type = {Article}, abstract = {
A unified synthetic strategy for oseltamivir phosphate (tamiflu), (S)-pipecolic acid, and its 3-hydroxy derivatives from furan derived common chiral bicycloaziridino lactone synthon is described here. Key features are the short (4-steps), enantiopure, and decagram-scale synthesis of common chiral synthon from furan and its first-ever application in the total synthesis of biologically active compounds by taking the advantages of high functionalization ability of chiral synthon.
}, keywords = {Aziridine synthon, Chiral auxiliary, collective synthesis, Pipecolic acid, Tamiflu}, issn = {1861-4728}, doi = {10.1002/asia.201901523, Early Access Date = JAN 2020}, author = {Chavan, Subhash P. and Kadam, Appasaheb L. and Shinde, Shrikrishna S. and Gonnade, Rajesh G.} } @article {46778, title = {Gas-solid interactions with reactive and inert gas molecules by NAPUPS: can work function be a better descriptor of chemical reactivity?}, journal = {Physical Chemistry Chemical Physics}, volume = {22}, year = {2020}, month = {JUL}, pages = {15528-15540}, type = {Article}, abstract = {
The gas-phase vibrational spectra of reactive (H(2)and O-2) and inert gases (N(2)and Ar) have been studied by near-ambient pressure (NAP) ultraviolet photoelectron spectroscopy (NAPUPS) up to 0.3 mbar pressure. The results obtained are divided into two parts and discussed. In the first part, the photoelectron spectra of monoatomic Ar and some homonuclear diatomic molecules, such as H-2, O-2, and N-2, have been recorded by NAPUPS and the effect of pressure on their energy position has been studied. It has been demonstrated that NAPUPS could be an essential tool to determine the intermolecular or interatomic interactions. In the second part, we have evaluated the influence of different solid surfaces on the binding energy (BE) position, the pattern of the vibrational features of diatomic N(2)molecules, and the first atomic levels (3p(3/2)and 3p(1/2)) of monoatomic Ar. It has been observed that with a change in the (electronic/chemical) nature of the surface, the BE of the above features also changes and reflects the change in the work function (phi) of the material. It is to be noted that Ar is an inert/noble gas and N(2)is the most stable molecule, and the above changes observed underscore that they can be employed as probe atoms/molecules to explore even the minor changes that occur on a solid surface due to a variety of reasons. Further, if the solid surface undergoes any chemical/electronic changes due to gas-solid interaction, such as oxidation/reduction, the phi of the surface changes again; this highlights the precise identification of the changes that occur under the reaction/measurement conditions. Therefore, the change in the BE of the gas-phase features can be used to determine even the minor changes in the phi of solid surfaces during the reaction or due to the reaction. The present findings have implications in probing the surface changes that occur in any surface-dependent phenomena, such as heterogeneous catalysis, electrochemistry, and materials that are predominantly controlled by surface contribution, such as layered (2D) materials, nanomaterials.
}, issn = {1463-9076}, doi = {10.1039/d0cp02456b}, author = {Ghosalya, Manoj Kumar and Reddy, Kasala Prabhakar and Mhamane, Nitin B. and Ranjan, Ravi and Gopinath, Chinnakonda S.} } @article {46780, title = {General and concise asymmetric synthesis of sphingosine, safingol and phytosphingosines via tethered aminohydroxylation (vol 8, pg 5074, 2010)}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {JUL}, pages = {5265}, type = {Correction}, issn = {1477-0520}, doi = {10.1039/d0ob90089c}, author = {Kumar, Pradeep and Dubey, Abhishek and Puranik, Vedavati G.} } @article {46835, title = {Generation and evaluation of pharmacologically relevant drug-drug cocrystal for gout therapy}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {JUN }, pages = {3577-3583}, type = {Article}, abstract = {
The present study reports a novel drug-drug cocrystal of febuxostat and piroxicam for the treatment of gout. Single crystal X-ray diffraction revealed a monoclinic system with P2(1)/c space group. The prepared cocrystal enhanced the solubility of febuxostat and piroxicam and improved the dissolution rate of piroxicam in pH 6.8 as compared to the pure drug. Further, the compressibility assessment of cocrystal by Aulton and Wells method confirmed its plastic behavior and suitability for direct compression.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.0c00106}, author = {Modani, Sheela and Gunnam, Anilkumar and Yadav, Balvant and Nangia, Ashwini K. and Shastri, Nalini R.} } @article {46638, title = {Generation of novelties in the genus Ocimum as a result of natural hybridization: a morphological, genetical and chemical appraisal}, journal = {Industrial Crops and Products}, volume = {156}, year = {2020}, month = {NOV}, pages = {112859}, type = {Article}, abstract = {
The genus Ocimum is a boutique of a diverse set of specialized metabolites such as terpenoids and phenylpropanoids. Each Ocimum species and its cultivars represent a characteristic chemical profile. The present study explored the two interspecific Ocimum hybrids originating through a serendipitous natural cross between O. kilimandscharicum and O. basilicum. These two novel Ocimum hybrids exhibited intermediate morphological features of two parental species. Inter simple sequence repeats (ISSR) analysis and DNA barcoding with the plastid non-coding trnH-psbA intergenic spacer region reaffirmed unambiguous parental identification and differentiation of these natural hybrids from other available Ocimum species. Consequently, gas chromatographymass spectrometry-based metabolite profiling of two hybrids identified them as specific chemotypes with the presence of a unique blend of specialized metabolites from the parental species, which are either rich in terpenes or phenylpropanoids. Additionally, expression analysis of key genes from terpenoid and phenylpropanoid pathways corroborated with differential metabolite accumulation. Thus, these two Ocimum hybrids represented the novel chemotypes, which could be useful in commercial cultivation to produce novel essential oil and bioactive constituents. Further, the resulting metabolite diversity could have potential industrial applications in the areas of healthcare, bioremediation, and crop protection.
}, keywords = {Chemotype, DNA barcoding, Inter Simple Sequence Repeats, Interspecific hybrid, O. basilicum, O. kilimandscharicum, Ocimum}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2020.112859}, author = {Gurav, Tanuja P. and Jayaramaiah, Ramesha H. and Punekar, Sachin A. and Dholakia, Bhushan B. and Giri, Ashok P.} } @article {46925, title = {Geometrical isomerism directed electrochemical sensing}, journal = {Analytical Chemistry}, volume = {92}, year = {2020}, month = {MAR}, pages = {4541-4547}, type = {Article}, abstract = {
We report the independent role of isomerism of secondary sphere substituents over their nature, a factor often overlooked in molecular electrocatalysis pertaining to electrochemical sensing, by establishing that isomerism redefines the electronic structure at the catalytic reaction center via geometrical factors. UV-vis spectroscopy and X-ray photoelectron spectroscopy suggest that a substituent{\textquoteright}s isomerism in molecular catalysts conjoins molecular planarity and catalytic activation through competing field effects and resonance effects. As a classical example, we demonstrate the influence of isomerism of the -NO2 substituents for the electrocatalytic multi electron oxidation of As(III), a potentially important electrochemical pathway for water remediation and arsenic detection. The isomerism dependent oxidative activation of catalytic center leads to a nonprecious molecular catalyst capable for direct As(III) oxidation with an experimental detection limit close to WHO guidelines. This work opens up an unusual approach in analytical chemistry for developing various sensing platforms for challenging chemical and electrochemical reactions.
}, issn = {0003-2700}, doi = {10.1021/acs.analchem.9b05753}, author = {Kottaichamy, Alagar Raja and Begum, Shabbah and Devendrachari, Mruthyunjayachar Chattanahalli and Bhat, Zahid Manzoor and Thimmappa, Ravikumar and Kotresh, Harish Makri Nimbegondi and Vinod, Chathakudath Prabhakaran and Thotiyl, Musthafa Ottakam} } @article {46924, title = {Glass transition temperature of polybutadiene and polyisoprene from high temperature segmental relaxation correlation using molecular dynamics}, journal = {Soft Materials}, volume = {18}, year = {2020}, month = {JUL }, pages = {290-296}, type = {Article}, abstract = {
Predicting glass transition temperature for rubber and rubber composites is immensely important for tire industry for the development of products and fine-tune process conditions. Molecular dynamics simulation is been used to predict glass transition temperature as a function of molecular-level structural changes, e.g., composition (functional groups), topology, and polymerization. However, prediction of glass transition temperature within experimental error bar from molecular dynamics simulation is only possible from all atomistic description (model) of the system as united atom and coarse-grained models under-predict the values. Conventional way of calculation of glass transition temperature from density (or any other properties which show sharp transition)-temperature plots are computationally very demanding because of atomistic simulations and simulations below the glass transition point, i.e., in glassy state. Here we report a novel method for calculation of glass transition temperature using only segmental relaxation correlation functions calculated at higher temperatures, i.e., above glass transition temperature. We have presented a protocol here and shown for two polymeric systems polybutadiene and polyisoprene. We believe this method cuts the computational cost of predicting glass transition temperature by one-third and will be applicable for industrial applications for structure-property validations.
}, keywords = {Glass transition temperature, molecular dynamics simulation, Polymers, rubber}, issn = {1539-445X}, doi = {10.1080/1539445X.2020.1739709, Early Access Date = MAR 2020}, author = {Sharma, Pragati and Roy, Sudip} } @article {46934, title = {Gold and hypervalent iodine(iii): liaisons over a decade for electrophilic functional group transfer reactions}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {MAR }, pages = {2677-2690}, type = {Article}, abstract = {
Over the last two decades, hypervalent iodine(iii) reagents have evolved from being {\textquoteleft}bonding curiosities{\textquoteright} to mainstream reagents in organic synthesis, in particular, electrophilic functional group transfer reactions. In this context, gold catalysts have not only emerged as a unique toolbox to facilitate such reactions (especially alkynylations) but also opened new possibilities with their different modes of reactivities for other functional group transfer reactions (acetoxylations and arylations). This feature article critically summarizes hitherto all such Au-catalyzed electrophilic functional group transfer reactions with hypervalent iodine(iii) reagents, emphasizing their mechanistic aspects.
}, issn = {1359-7345}, doi = {10.1039/d0cc00106f}, author = {Banerjee, Somsuvra and Bhoyare, Vivek W. and Patil, Nitin T.} } @article {46819, title = {Gold-catalyzed alkynylative meyer-schuster rearrangement}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {JUN}, pages = {4792-4796}, type = {Article}, abstract = {
By applying the {\textquoteleft}{\textquoteleft}interplay{\textquoteright}{\textquoteright} mode, which consolidates two key reactivity modes of gold catalysis, namely pi-activation mode and cross-coupling mode, the first alkynylative Meyer-Schuster rearrangement is designed and successfully implemented. The current protocol gives straightforward access to enynones, a highly valuable building block, from easily available propargyl alcohol feedstocks. Control experiments suggest an Au(III) catalyst triggers the Meyer-Schuster rearrangement, whereas monitoring the reaction with ESI-HRMS provided strong evidence in favor of a key alkynylgold(III) intermediate which supports the proposed {\textquoteleft}{\textquoteleft}interplay{\textquoteright}{\textquoteright} scenario.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c01596}, author = {Banerjee, Somsuvra and Ambegave, Shivhar B. and Mule, Ravindra D. and Senthilkumar, Beeran and Patil, Nitin T.} } @article {46807, title = {G-protein coupled receptors and tau-different roles in alzheimer{\textquoteright}s disease}, journal = {Neuroscience}, volume = {438}, year = {2020}, month = {JUL }, pages = {198-214}, type = {Article}, abstract = {
Post-translational modification of Tau, a microtubule-associated protein in the neuronal cell, plays a major role in Alzheimer{\textquoteright}s disease. Tau is an axonal protein expressed in mature neurons that promote the self-assembly of tubulin into microtubules and its stabilization in neurons. Phosphorylation of Tau makes it prone to aggregation at the intra-neuronal region leading to impaired neurotransmission and dementia. Tau aggregates undergo trans-cellular propagation by the release of fibrillar species into the extra-cellular environment from damaged and infected neurons that can be internalized by neighbouring neuronal and glia cells and promotes aggregation in healthy cells. G-protein coupled receptors, the largest group of seven transmembrane receptors, are involved in neuronal signal transduction in response to various signals such as hormones and neurotransmitters. In Alzheimer{\textquoteright}s disease, GPCRs are involved in phosphorylation of Tau through various downstream kinases such as GSK-3b, CDK-5 and ERKs signalling cascade. Several neuronal GPCRs that are involved in Tau phosphorylation are elaborated in this review. The astrocytic GPCR, Tau phosphorylation mediated by CaS receptors and its propagation by exosomes are also elaborated. In the microglia, the extra-cellular Tau binding to a chemokine GPCR, CX3CR1 triggers its internalization, whereas Tau phosphorylation at specific sites decreases its binding affinity to this receptor. Here we highlight the role of GPCRs in Tau phosphorylation and Tau interaction in different cells of the nervous system. Hence, the role of GPCRs are attaining more attention in the therapeutic field of Alzheimer{\textquoteright}s disease. Specific agonists/antagonists and allosteric modulators could be the potential target for therapy against GPCR-mediated Tau phosphorylation in Alzheimer{\textquoteright}s disease. (C) 2020 IBRO. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Alzheimer{\textquoteright}s disease, GPCRs, microglia, Tau internalization, Tau phosphorylation, Tau propagation}, issn = {0306-4522}, doi = {10.1016/j.neuroscience.2020.04.019}, author = {Chidambaram, Hariharakrishnan and Chinnathambi, Subashchandrabose} } @article {46863, title = {Graphene-MnO2 composite supercapacitor material accomplished tactically using liquid-liquid and solid-liquid interface reaction techniques}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAY}, pages = {6853-6861}, type = {Article}, abstract = {
A novel methodology is described to grow architectures of 3-dimensional graphene nanosheet (GNS)-manganese oxide (MnO2) composite materials to be used in supercapacitors. The in situ growth of the three-dimensional MnO2 fiber-network over the surface of graphene layers is achieved at the solid-liquid interface. The composite electrode shows good electron and charge transfer, rapid plus reversible faradaic reactions and excellent cyclic ability in electrochemical studies. The electrochemical properties of the as-prepared GNS-MnO2/FTO electrode material were assessed by cyclic voltammetry and galvanostatic charge/discharge tests. The specific capacitance of GNS-MnO2 reaches 683 F g(-1) at a current density of 2.2 A g(-1) and shows excellent cycle stability, retaining 96.9\% of its initial capacitance up to 5000 cycles. A coulomb efficiency of about 99\% displayed by the GNS-MnO2/FTO electrode is an excellent performance for a desired supercapacitor material. Herein, the charge storage mechanism in 3-dimensional graphene nanosheet (GNS)-manganese oxide (MnO2) composite is discussed in detail. Furthermore, at an elevated current density of similar to 10.86 A g(-1), a power density of similar to 6.235 kW kg(-1) is achieved, maintaining an energy density of similar to 7.99 kW h kg(-1); thus, it demonstrates promising potential as an electrode material for supercapacitor application.
}, issn = {1144-0546}, doi = {10.1039/c9nj05898b}, author = {Patil, Sagar H. and Gaikwad, Aarti P. and Waghmode, Babasaheb J. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article {46604, title = {Green catalyst Fe(OTs)(3)/SiO2 for the synthesis of 4-Pyrrolo-12-oxoquinazolines}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {DEC}, pages = {14721-14728}, type = {Article}, abstract = {
An efficient and eco-friendly diversity-oriented synthetic protocol has been presented to synthesize structurally versatile drug-like molecules under solvent-free grinding in the presence of Fe(OTs)(3)/SiO2 as a catalyst. The use of Fe(OTs)(3)/SiO2 as a recyclable and reusable catalyst has been explored in the synthetic domino protocol involving one-pot, three component reaction for the synthesis of 4-pyrrolo-12-oxoquinazolines with special features of the protocol like high atom-economy, operational simplicity, short reaction time and high selectivity with excellent yields.
}, keywords = {4-Pyrrolo-12-oxoquinazolines, Fe(OTs)(3), Green methodology, Liquid Assisted Grinding (LAG), SiO2 catalyst, Solvent-free grinding}, issn = {2365-6549}, doi = {10.1002/slct.202004012}, author = {Allaka, Bhargava Sai and Basavoju, Srinivas and Krishna, Gamidi Rama} } @article {46605, title = {HDAC6 ZnF UBP as the modifier of tau structure and function}, journal = {Biochemistry}, volume = {59}, year = {2020}, month = {DEC }, pages = {4546-4562}, type = {Article}, abstract = {
Histone deacetylase 6 is a class H histone deacetylase primarily present in the cytoplasm and involved in the regulation of various cellular functions. It consists of two catalytic deacetylase domains and a unique zinc finger ubiquitin binding protein domain, which sets it apart from other HDACs. HDAC6 is known to regulate cellular activities by modifying the function of microtubules, HSP90, and cortactin through deacetylation. Apart from the catalytic activity of HDAC6, it interacts with other proteins through either the SE14 domain or the ZnF UBP domain to modulate their functions. Here, we have studied the role of the HDAC6 ZnF UBP domain as a modifier of Tau aggregation by its direct interaction with the polyproline region/repeat region of Tau. Interaction of HDAC6 ZnF UBP with Tau was found to reduce the propensity of Tau to self-aggregate and to disaggregate preformed aggregates in a concentration-dependent manner and also bring about the conformational changes in Tau protein. The interaction of HDAC6 ZnF UBP with Tau results in its degradation, suggesting either proteolytic activity of HDAC6 ZnF UBP or its role in enhancing autoproteolysis of Tau.
}, issn = {0006-2960}, doi = {10.1021/acs.biochem.0c00585}, author = {Balmik, Abhishek Ankur and Chidambaram, Hariharakrishnan and Dangi, Abha and Marelli, Udaya Kiran and Chinnathambi, Subashchandrabose} } @article {46772, title = {Hexaaminobenzene derived two-dimensional polymer supercapacitor with high specific capacitance and energy density}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {JUL }, pages = {6352-6359}, type = {Article}, abstract = {
Recent research interest has been shifted toward energy storage devices, especially supercapacitors, which provide high specific power and long cycle life. In this context, two-dimensional organic polymers are a class of versatile materials found to be useful in energy storage applications. However, the performance is not promising due to the low capacitance, energy density, and cyclic stability. Here, we report a two-dimensional polymer derived from hexaaminobenzene and pyromellitic dianhydride and its excellent supercapacitor performance. The specific capacitance of the two-dimensional polymer is found to be 805 F g(-1) at 0.5 A g(-1) current density in galvanostatic charge-discharge, which is the highest among the organic twodimensional polymer and most of the carbon-based materials. The superior performance of the 2D-polymer compared to a model derivative (350 F g(-1) at 0.5 A g(-1) current density) points to the critical role of a 2D-platform to excel. The high energy density, excellent cyclic stability, and low self-discharge rate support the 2D-polymer supercapacitor as a promising candidate for futuristic applications.
}, keywords = {2D-polymer, energy density, Energy storage, hexaaminobenzene, supercapacitor}, issn = {2574-0962}, doi = {10.1021/acsaem.0c00569}, author = {Wakchaure, Vivek C. and Kottaichamy, Alagar R. and Nidhankar, Aakash D. and Ranjeesh, Kayaramkodath C. and Nazrulla, Mohammed A. and Thotiyl, Musthafa O. and Babu, Sukumaran S.} } @article {46845, title = {Hierarchical nanoflower arrays of Co9S8-Ni3S2 on nickel foam: a highly efficient binder-free electrocatalyst for overall water splitting}, journal = {Chemistry-A European Journal}, volume = {26}, year = {2020}, month = {JUN }, pages = {7900-7911}, type = {Article}, abstract = {
Hydrogen production is vital for meeting future energy demands and managing environmental sustainability. Electrolysis of water is considered as the suitable method for H-2 generation in a carbon-free pathway. Herein, the synthesis of highly efficient Co9S8-Ni3S2 based hierarchical nanoflower arrays on nickel foam (NF) is explored through the one-pot hydrothermal method (Co9S8-Ni3S2/NF) for overall water splitting applications. The nanoflower arrays are self-supported on the NF without any binder, possessing the required porosity and structural characteristics. The obtained Co9S8-Ni3S2/NF displays high hydrogen evolution reaction (HER), as well as oxygen evolution reaction (OER), activities in 1 m KOH solution. The overpotentials exhibited by this system at 25 mA cm(-2) are nearly 277 and 102 mV for HER and OER, respectively, in 1 m KOH solution. Subsequently, the overall water splitting was performed in 1 m KOH solution by employing Co9S8-Ni3S2/NF as both the anode and cathode, where the system required only 1.49, 1.60, and 1.69 V to deliver the current densities of 10, 25, and 50 mA cm(-2), respectively. Comparison of the activity of Co9S8-Ni3S2/NF with the state-of-the-art Pt/C and RuO2 coated on NF displays an enhanced performance for Co9S8-Ni3S2/NF both in the half-cell as well as in the full cell, emphasizing the significance of the present work. The post analysis of the material after water electrolysis confirms that the surface Co(OH)(2) formed during the course of the reaction serves as the favorable active sites. Overall, the activity modulation achieved in the present case is attributed to the presence of the open-pore morphology of the as formed nanoflowers of Co9S8-Ni3S2 on NF and the simultaneous presence of the surface Co(OH)(2) along with the highly conducting Co9S8-Ni3S2 core, which facilitates the adsorption of the reactants and subsequently its conversion into the gaseous products during water electrolysis.
}, keywords = {cobalt sulfide, electrocatalysts, Hydrogen evolution, overall water splitting, oxygen evolution}, issn = {0947-6539}, doi = {10.1002/chem.202000839, Early Access Date = MAY 2020}, author = {Illathvalappil, Rajith and Walko, Priyanka S. and Kanheerampockil, Fayis and Bhat, Suresh K. and Devi, R. Nandini and Kurungot, Sreekumar} } @article {47150, title = {Highly active Br{\o}nsted acidic silicon phosphate catalyst for direct conversion of glucose to levulinic acid in MIBK{\textendash}water biphasic system}, journal = {SN Applied Sciences}, volume = {2}, year = {2020}, month = {JAN}, pages = {Article number: 51}, type = {Article}, abstract = {
Due to depletion of fossil fuel reserves and environmental concerns demand the utilization of other renewable feedstocks such as biomass which is available abundantly in different quantities throughout the world. Catalytic transformation of this biomass or biomass-derived products such as glucose to valuable platform biochemicals viz: levulinic acid (LA) is academically as well as industrially important reaction. In the present work, Silicon phosphates (SixPO4) catalysts viz: Si10PO4, Si20PO4, Si30PO4, and Si40PO4 having solely Br{\o}nsted acidic properties were prepared by wet impregnation of H3PO4 (10{\textendash}40\ wt\%) on fumed silica followed by calcination at 550\ {\textdegree}C for 10\ h. The prepared catalysts were characterized by various techniques such as XRD; NH3-TPD; FTIR etc. Formation of silicon phosphate structure was found to depend on \% of P loading and its interaction with silica. The acidic property of SixPO4 catalyst was characterized by NH3-TPD and Pyridine-IR, confirmed that catalyst has exclusively strong Br{\o}nsted acidity. A high LA yield of 81\ mol\% over Si30PO4 has achieved at an optimized reaction condition of 140\ {\textdegree}C; 10\ h in MIBK{\textendash}water (9:1) biphasic system.
}, doi = {10.1007/s42452-019-1827-z}, author = {Bokade, Vijay and Moondra, Hitakshi and Niphadkar, Prashant} } @article {46896, title = {Highly dispersed MnOx nanoparticles on shape-controlled SiO2 spheres for ecofriendly selective allylic oxidation of cyclohexene}, journal = {Catalysis Letters}, volume = {150}, year = {2020}, month = {OCT}, pages = {3023-3035}, type = {Article}, abstract = {
Shape-controlled metal nanomaterials are considered as a unique class of catalysts because of their synergistic size- and shape-dependent catalytic properties. This work reports the synthesis of a novel size- and shape-controlled catalyst, consisting of highly dispersed MnOx nanoparticles (average particle size of 4.5 nm) on shape-controlled SiO2 nanospheres (250-300 nm) for selective cyclohexene oxidation using air as the oxidant under solvent- and base-free conditions. The MnOx/SiO2 catalyst exhibited an excellent cyclohexene conversion (92\%) with a high selectivity (96\%) to the allylic products (2-cyclohexene-ol and 2-cyclohexene-one) under mild conditions, outperforming various SiO2 supported CoOx, FeOx, and CuOx catalysts. The better performance of shape-controlled MnOx/SiO2 nanocatalyst is due to high redox nature of Mn, uniform dispersion of smaller sized MnOx nanoparticles, and synergetic interaction between MnOx and SiO2 spheres, as evidenced by XPS and TEM studies. Further, the MnOx/SiO2 catalyst could be reused at least 5 times for selective cyclohexene oxidation with a negligible loss in its catalytic performance, indicating the excellent stability of shape-controlled metal nanocatalysts in organic synthesis under economically viable and mild conditions.
}, keywords = {Cyclohexene oxidation, MnOx nanoparticles, Shape-controlled catalyst, SiO2 nanospheres, Structure-performance relationship, Synergetic interaction}, issn = {1011-372X}, doi = {10.1007/s10562-020-03205-z, Early Access Date = APR 2020}, author = {Rao, Bolla Govinda and Sudarsanam, Putla and Rao, Tumula Venkateshwar and Amin, Mohamad Hassan and Bhargava, Suresh K. and Reddy, Benjaram M.} } @article {46729, title = {Highly durable Li-ion battery anode from Fe3O4 nanoparticles embedded in nitrogen-doped porous carbon with improved rate capabilities}, journal = {Journal of Materials Science}, volume = {55}, year = {2020}, month = {NOV}, pages = {15667-15680}, type = {Article}, abstract = {
For next generation, lithium-ion batteries (LIBs) developing high capacity anode materials are crucial with increasing demand of large-scale application. Conversion-type anode materials are promising if stable cycling behavior could be achieved. In this work, a nitrogen-doped porous carbon-Fe3O4(NPC-Fe3O4) nanocomposite is synthesized via a simple and scalable approach. Composite is prepared by pyrolysis of polymer silica hybrid PolyHIPE (high internal phase emulsion) into NPC, and Fe3O4 nanoparticles (NPs) are anchored on its surface via hydrothermal synthesis. As-prepared NPC-Fe3O4 nanocomposite delivers high reversible capacity of around 1001 mAhg(-1)at 0.1 Ag-1 current density and rate capabilities and displays excellent cycling stability as high as 95\% capacity retention even after 400 cycles. Superior electrochemical performance of NPC-Fe3O4 is attributed to the hierarchical porous structure and nitrogen doping of carbon which shorten the diffusion path of Li+ and provide ample space to prevent aggregation of Fe3O nanoparticles. [GRAPHICS] .
}, issn = {0022-2461}, doi = {10.1007/s10853-020-05143-y, Early Access Date = AUG 2020}, author = {Deshmukh, Ashvini B. and Dwivedi, Pravin K. and Nalawade, Archana C. and Qureshi, Mohammed S. and Shelke, Manjusha V.} } @article {46834, title = {Highly efficient chemoselective N-tert butoxycarbonylation of aliphatic/aromatic/heterocyclic amines using diphenylglycoluril as organocatalyst}, journal = {Tetrahedron}, volume = {76}, year = {2020}, month = {JUN }, pages = {131223}, type = {Article}, abstract = {
An efficient approach for the Chemoselective N-tert-butoxycarbonylation of a variety of amines using diphenylglycoluril as organocatalyst has been described. For the first time, a plausible mechanism for the N-tert-butoxycarbonylation has been proposed using density functional theory (DFT) calculations supported by NMR studies. The reusability of the organocatalyst and observation of the desired N-Boc protected amines being formed without the formation of side products like urea, oxazolidinone, isocyanate, and N, N-di-Boc derivatives makes the present protocol desirable. (C) 2020 Elsevier Ltd. All rights reserved.
}, keywords = {DFT studies, Diphenylglycouril, N-tert butoxycarbonylation, organocatalyst, Proton shuttle mechanism}, issn = {0040-4020}, doi = {10.1016/j.tet.2020.131223}, author = {Awasthi, Amardeep and Mukherjee, Anagh and Singh, Mandeep and Rathee, Garima and Vanka, Kumar and Chandra, Ramesh} } @article {46676, title = {Highly efficient micro-meso acidic H-USY catalyst for one step conversion of wheat straw to ethyl levulinate (biofuel additive)}, journal = {Microporous and Mesoporous Materials}, volume = {306}, year = {2020}, month = {OCT}, pages = {110474}, type = {Article}, abstract = {
Ethyl Levulinate (EL), biofuel additive can blend up to 20\% with biodiesel to improve its fuel properties. Till the date, there are reports on homogeneous catalysts (H2SO4, ionic liquid) for synthesis of EL from raw biomass like wheat straw. To best of our knowledge, there is no single report on heterogeneous catalyst for one step synthesis of EL directly from wheat straw. This work is a successful attempt to use heterogeneous micro-meso acidic H-USY (post dealumination and desilication) for direct one step conversion of wheat straw to EL with higher EL yield 24.5 wt\%, which is probably the highest so far.
}, keywords = {Acidity, ethyl levulinate, H-USY, Micro-meso, Wheat straw}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2020.110474}, author = {Heda, Jidnyasa and Niphadkar, Prashant and Mudliar, Sandeep and Bokade, Vijay} } @article {46995, title = {Highly enantioselective synthesis of sitagliptin}, journal = {Asian Journal of Organic Chemistry}, volume = {9}, year = {2020}, month = {FEB}, pages = {189-191}, type = {Article}, abstract = {
A highly enantioselective synthesis of sitagliptin, a potent DPP-4 inhibitor, is reported. Explicitly identified chiral FerroLANE ligands in the presence of rhodium catalyze the asymmetric hydrogenation of an enamine to yield sitagliptin with excellent enantioselectivity (98\% ee). The process was scaled up to 5 g and the final product was isolated as a phosphate salt with \>99\% ee.
}, keywords = {asymmetric hydrogenation, catalysis, FerroLANE ligands, Rhodium, sitagliptin}, issn = {2193-5807}, doi = {10.1002/ajoc.201900709, Early Access Date = JAN 2020}, author = {Khopade, V. Kishor and Sen, Anirban and Birajdar, Rajkumar S. and Paulbudhe, Uday P. and Kavale, Dattatry S. and Shinde, Prashant S. and Mhaske, Santosh B. and Chikkali, Samir H.} } @article {46602, title = {Highly reproducible, simple and selective analytical method for extractive UV-visible spectrophotometric determination of ruthenium (III): analysis of catalyst, fissium alloy and sequential separation}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {243}, year = {2020}, month = {DEC}, pages = {118814}, type = {Article}, abstract = {
An easy and selective method has been developed for the extractive spectrophotometric determination of ruthenium(III) with 4-(4{\textquoteright}-flurobenzylideneimino)-3-methyl-5-mercapto-1,2,4-triazole (FBIMMT) as a chelating reagent. The basis of the method is the formation of stable complex of {\textquoteleft}soft base{\textquoteright} FBIMMT with {\textquoteleft}soft acid{\textquoteright} ruthenium(M). The reagent FBIMMT in n-butanol easily forms extractable yellow coloured complex with ruthenium(III) in acetate buffer of pH 4.8. The absorbance of [Ru(III)-FBIMMT] complex is measured at 394 nm against the reagent blank. Good linearity range of concentration up to 27.0 mu g mL(-1) of ruthenium(III) is attained with correlation coefficient R-2 = 0.998. The optimum concentration range is 6 to 27.0 mu g mL(-1) which is deduced by Ringbom{\textquoteright}s plot. The apparent molar absorptivity found to be 2.75 x 10(3) L mol(-1) cm(-1). Some additional characteristics such as limit of detection (LOD = 0.48 mu g mL(-1)), limit of quantification (LOQ = 1.19 mu g mL(-1)), and Sandell{\textquoteright}s sensitivity (SS = of 0.0367 mu g cm(-2)) arc also estimated. The composition of [Ru (III)-FBIMMT1 complex has been established from Job{\textquoteright}s continuous variation method, mole ratio method, and log-log plot method. The specificity towards ruthenium(III) is well studied and appropriate masking agents are applied wherever required to boost it. The intra-day and inter-day precision values are found to be brilliant with \% relative standard deviation of 0.52 and 0.68 respectively with \% accuracy within the range of 99.00-100. The method is effectively used for determination of ruthenium(III) from water samples, binary and ternary synthetic mixtures, fissium alloy samples and catalyst materials. A scheme for sequential group separation of ruthenium(III), palladium(II) and osmium (VIII) has also been developed. The reproducible results of the present method confirm that the method has a good potential for quantitative determination of ruthenium(III) from various matrices. (C) 2020 Elsevier B.V. All rights reserved.
}, keywords = {Alloy samples, FBIMMT, Ruthenium(III), Spectrophotometric determination, Synthetic mixtures}, issn = {1386-1425}, doi = {10.1016/j.saa.2020.118814}, author = {Shaikh, Abdul B. and Barache, Umesh B. and Khogare, Balaji T. and Goswami, Ritusmita and Kokare, Balasaheb N. and Wadgaonkar, Prakash P. and Gaikwad, Shashikant H.} } @article {46930, title = {Highly sensitive label-free bio-interfacial colorimetric sensor based on silk fibroin-gold nanocomposite for facile detection of chlorpyrifos pesticide}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {MAR}, pages = {4198}, type = {Article}, abstract = {
Herein, the preparation of gold nanoparticles-silk fibroin (SF-AuNPs) dispersion and its label-free colorimetric detection of the organophosphate pesticide, namely chlorpyrifos, at ppb level are reported. The silk fibroin solution was extracted from B. mori silk after performing degumming, dissolving and dialysis steps. This fibroin solution was used for synthesis of gold nanoparticles in-situ without using any external reducing and capping agent. X-ray Diffractometry (XRD), Field Emission Transmission Electron Microscopy (FETEM) along with Surface Plasmon Resonance based optical evaluation confirmed generation of gold nanoparticles within SF matrix. The resultant SF-AuNPs dispersion exhibited rapid and excellent colorimetric pesticide sensing response even at 10 ppb concentration. Effect of additional parameters viz. pH, ionic concentration and interference from other pesticide samples was also studied. Notably, SF-AuNPs dispersion exhibited selective colorimetric pesticide sensing response which can be calibrated. Furthermore, this method was extended to various simulated real life samples such as tap water, soil and agricultural products including plant residues to successfully detect the presence of chlorpyrifos pesticide. The proposed colorimetric sensor system is facile yet effective and can be employed by novice rural population and expert researchers alike. It can be exploited as preliminary tool for label-free colorimetric chlorpyrifos pesticide sensing in water and agricultural products.
}, issn = {2045-2322}, doi = {10.1038/s41598-020-61130-y}, author = {Mane, Pramod C. and Shinde, Manish D. and Varma, Sanjana and Chaudhari, Bhushan P. and Fatehmulla, Amanullah and Shahabuddin, M. and Amalnerkar, Dinesh P. and Aldhafiri, Abdullah M. and Chaudhari, Ravindra D.} } @article {47021, title = {High-throughput metabolomic and transcriptomic analyses vet the potential route of cerpegin biosynthesis in two varieties of Ceropegia bulbosa Roxb.}, journal = {Planta}, volume = {251}, year = {2020}, month = {JAN}, pages = {28}, type = {Article}, abstract = {
Ceropegia bulbosa is an important medicinal plant, used in the treatment of various ailments including diarrhea, dysentery, and syphilis. This is primarily attributed to the presence of pharmaceutically active secondary metabolites, especially cerpegin. As this plant belongs to an endemic threatened category, genomic resources are not available hampering exploration on the molecular basis of cerpegin accumulation till now. Therefore, we undertook high-throughput metabolomic and transcriptomic analyses using different tissues from two varieties namely, C. bulbosa var. bulbosa and C. bulbosa var. lushii. Metabolomic analysis revealed spatial and differential accumulation of various metabolites. We chemically synthesized and characterized the cerpegin and its derivatives by liquid chromatography tandem-mass spectrometry (LC-MS/MS). Importantly, these comparisons suggested the presence of cerpegin and 5-allyl cerpegin in all C. bulbosa tissues. Further, de novo transcriptome analysis indicated the presence of significant transcripts for secondary metabolic pathways through the Kyoto encyclopedia of genes and genomes database. Tissue-specific profiling of transcripts and metabolites showed a significant correlation, suggesting the intricate mechanism of cerpegin biosynthesis. The expression of potential candidate genes from the proposed cerpegin biosynthetic pathway was further validated by qRT-PCR and NanoString nCounter. Overall, our findings propose a potential route of cerpegin biosynthesis. Identified transcripts and metabolites have built a foundation as new molecular resources that could facilitate future research on biosynthesis, regulation, and engineering of cerpegin or other important metabolites in such non-model plants.
}, keywords = {5-Allyl cerpegin, Ceropegia, Cerpegin, LC-MS, metabolite, Transcriptome}, issn = {0032-0935}, doi = {10.1007/s00425-019-03319-8}, author = {Gharat, Sachin A. and Shinde, Balkrishna A. and Mule, Ravindra D. and Punekar, Sachin A. and Dholakia, Bhushan B. and Jayaramaiah, Ramesha H. and Ramaswamy, Gopalakrishna and Giri, Ashok P.} } @article {46658, title = {Hydrophobic interpenetrating polyamide-PDMS membranes for desalination, pesticides removal and enhanced chlorine tolerance}, journal = {Chemosphere}, volume = {258}, year = {2020}, month = {NOV}, pages = {127179}, type = {Article}, abstract = {
Hydrophobic membranes for desalination and toxic organic pollutant removal have been fabricated using polyamide - PDMS (polydimethylsiloxane) chemistries in a one-step protocol. The curing of polyamide and PDMS are orthogonal and co-curing both networks imparts hydrophobicity to the thin film composite membranes. The membranes exhibit increased adsorption of pesticides from the feed water along with maintaining excellent salt rejection capability (97\% NaCl rejection), thus giving the membranes a multifunctional character. Three toxic pesticides have been used in this study to demonstrate the viability of combining osmosis desalination technology with organic matter adsorption. The membranes also show excellent resistance to fouling by toxic pesticides (85\% salt rejection vs 67\% for commercial membranes in the presence of pesticides) and significantly improved chlorine tolerance (93.8\% salt rejection vs 86.5\% for commercial membranes after 20 h of exposure to sodium hypochlorite solution). (C) 2020 Elsevier Ltd. All rights reserved.
}, keywords = {PDMS (Polydimethylsiloxane), Pesticide rejection, Salt rejection, Water purification membranes}, issn = {0045-6535}, doi = {10.1016/j.chemosphere.2020.127179}, author = {Khairkar, Shyam R. and Pansare, V, Amol and Shedge, Amol A. and Chhatre, Shraddha Y. and Suresh, A. K. and Chakrabarti, Subhananda and Patil, Vishwanath R. and Nagarkar, Amit A.} } @article {46775, title = {Ice templated nanocomposites containing rod-like hematite particles: Interplay between particle anisotropy and particle-matrix interactions}, journal = {Journal of Applied Physics}, volume = {128}, year = {2020}, month = {JUL }, pages = {034702}, type = {Article}, abstract = {
We demonstrate that the mechanical response of ice templated nanocomposite scaffolds prepared from ellipsoidal hematite particles is determined by both the particle aspect ratio and the interaction between the particles and the matrix polymer. We ice template aqueous dispersions of hematite particles, polyethyleneimine, and diepoxy crosslinker and crosslink the polymer in the frozen state. This protocol results in the formation of elastic macroporous monoliths capable of complete recovery from large compressive strains. Hematite particles show an inversion of their surface charge with pH: they are negatively charged at a basic pH and positively charged under acidic conditions. This allows us to change the interaction between hematite particles and crosslinked matrix polymer that they are embedded in, simply by immersing the monoliths in aqueous solutions with different pH{\textquoteright}s. We report that under basic conditions, viz, when polyethyleneimine adsorbs on the particle surface, there is a decrease in the monolith modulus with an increase in the particle aspect ratio. We demonstrate that this correlates with a change in the mechanism of monolith response: from wall compression for isotropic particles to wall bending for anisotropic particles with an aspect ratio of 4. Under acidic conditions (pH=2), where hematite particles show a positive zeta potential, the monolith modulus increases with the aspect ratio of the ellipsoidal fillers. Understanding the interplay between filler aspect ratio and filler-matrix interaction has important implications for the control of nanocomposite mechanical properties.
}, issn = {0021-8979}, doi = {10.1063/1.5144217}, author = {Kumaraswamy, Guruswamy and Suresh, Karthika and Lama, Hisay and Basavaraj, Madivala G. and Satapathy, Dillip K.} } @article {46891, title = {Identification and expression analysis of miRNAs and elucidation of their role in salt tolerance in rice varieties susceptible and tolerant to salinity}, journal = {PloS One}, volume = {15}, year = {2020}, month = {APR}, pages = {e0230958}, type = {Article}, abstract = {
Soil salinization is a serious problem for cultivation of rice, as among cereals rice is the most salt sensitive crop, and more than 40\% of the total agricultural land amounting to approximately 80 million ha the world over is salt affected. Salinity affects a plant in a varieties of ways, including ion toxicity, osmotic stress and oxidative damage. Since miRNAs occupy the top place in biochemical events determining a trait, understanding their role in salt tolerance is highly desirable, which may allow introduction of the trait in the rice cultivars of choice through biotechnological interventions. High throughput sequencing of sRNAs in the root and shoot tissues of the seedlings of the control and NaCl treated Pokkali, a salt-tolerant rice variety, identified 75 conserved miRNAs and mapped 200 sRNAs to the rice genome as novel miRNAs. Expression of nine novel miRNAs and two conserved miRNAs were confirmed by Northern blotting. Several of both conserved and novel miRNAs that expressed differentially in root and/or shoot tissues targeted transcription factors like AP2/EREBP domain protein, ARF, NAC, MYB, NF-YA, HD-Zip III, TCP and SBP reported to be involved in salt tolerance or in abiotic stress tolerance in general. Most of the novel miRNAs expressed in the salt tolerant wild rice Oryza coarctata, suggesting conservation of miRNAs in taxonomically related species. One of the novel miRNAs, osa-miR12477, also targeted L- upon salt treatment, which was confirmed by DAB staining. Thus, salt tolerance might involve miRNA-mediated regulation of 1) cellular abundance of the hormone signaling components like EREBP and ARF, 2) synthesis of abiotic stress related transcription factors, and 3) antioxidative component like LAO for mitigation of oxidative damage. The study clearly indicated importance of osa-miR12477 regulated expression of LAO in salt tolerance in the plant.
}, issn = {1932-6203}, doi = {10.1371/journal.pone.0230958}, author = {Parmar, Shaifaly and Gharat, Sachin Ashruba and Tagirasa, Ravichandra and Chandra, Tilak and Behera, Lambodar and Dash, Sushant Kumar and Shaw, Birendra Prasad} } @article {46746, title = {Imines as acceptors and donors in N-heterocyclic carbene (NHC) organocatalysis}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {AUG }, pages = {8537-8552}, type = {Article}, abstract = {
The synthetic potential of imines as electrophiles or as a source of nucleophilic coupling partner in N-heterocyclic carbene (NHC) catalysis for the synthesis of various nitrogen heterocycles and functionalized amines is highlighted in this Feature Article. Electrophilic imines are suitable candidates for intercepting the NHC-derived acyl anions, homoenolate equivalents, and (di)enolates for the synthesis of alpha-amino ketones and a variety of lactam derivatives. Moreover, enamines generated from imines bearing alpha-hydrogen could be trapped with alpha,beta-unsaturated acylazoliums for the synthesis of functionalized dihydropyridinones. NHCs are also useful for the umpolung of imines for the generation of aza-Breslow intermediates thus leading to the synthesis of indoles, quinolines, dihydroquinoxalinesetc.A concise account of the diverse reactivity of imines in NHC catalysis has been presented.
}, issn = {1359-7345}, doi = {10.1039/d0cc03290e}, author = {Das, Tamal Kanti and Biju, Akkattu T.} } @article {46975, title = {Improving the dissolution rate of the anticancer drug dabrafenib}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {FEB}, pages = {1035-1046}, type = {Article}, abstract = {
Dabrafenib (DBF) is an anticancer drug with selective B-Raf (BRAF) inhibition activity. In 2013, DBF was approved by the U.S. Food and Drug Administration (US-FDA) as a dabrafenib mesylate salt (DBF center dot MS). Because of insolubility in aqueous medium, specifically at the pH 4-8 biorelevant range, DBF is a Biopharmaceutics Classification System (BCS) Class II drug (i.e., low solubility and high permeability). Therefore, screening of novel salts and cocrystals was carried out using Generally Recognized as Safe (GRAS) coformers. A total of 10 salts/cocrystals including the mesylate salt were found to be stable under the crystallization conditions. Among acidic coformers, methane sulfonic acid (MS) and saccharin (SACH) formed salts, while fumaric acid (FA), succinic acid (SA), and adipic acid (ADA) gave cocrystals. However, monoamines formed a monohydrate salt where the water molecule is hydrogen bonded with the aminopyrimidine moiety of DBF. The replacement of monoamines with ethylenediamine (EN) dislocated the water molecule near the free amine of EN in the crystal structure with a change in space group from triclinic (P (1) over bar) to monoclinic (P2(1)/n). Dissolution measurements at pH 1.2 (0.1 N HCl) showed that DBF center dot EN superset of H2O dissolved rapidly compared to the DBF.MS salt (the dissolution rate of DBF center dot EN superset of H2O and DBF center dot MS is 11 and 2 times faster than that of DBF). Structure-activity relationship analysis showed that bonding of the aminopyrimidine moiety with strong hydrogen bond synthons inhibited dissolution, whereas a loosely bound or free site at the aminopyrimidine moiety enhanced the dissolution rate. Finally, a cytotoxicity study was performed for DBF, DBF center dot MS, and DBF center dot EN superset of H2O, which showed that DBF center dot EN superset of H2O is safe for normal cells and yet equally potent against cancer cells. Crystal engineering of an improved formulation of dabrafenib center dot ethylenediamine hydrate is presented as a new anticancer drug.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01365}, author = {Rai, Sunil K. and Gunnam, Anilkumar and Mannava, M. K. Chaitanya and Nangia, Ashwini K.} } @article {46761, title = {In situ cross-linked nonaqueous polymer electrolyte for zinc-metal polymer batteries and hybrid supercapacitors}, journal = {Small}, volume = {16}, year = {2020}, month = {SEP}, pages = {2002528}, type = {Article}, abstract = {
This work reports the facile synthesis of nonaqueous zinc-ion conducting polymer electrolyte (ZIP) membranes using an ultraviolet (UV)-light-induced photopolymerization technique, with room temperature (RT) ionic conductivity values in the order of 10(-3)S cm(-1). The ZIP membranes demonstrate excellent physicochemical and electrochemical properties, including an electrochemical stability window of \>2.4 V versus Zn|Zn(2+)and dendrite-free plating/stripping processes in symmetric Zn||Zn cells. Besides, a UV-polymerization-assisted in situ process is developed to produce ZIP (abbreviated i-ZIP), which is adopted for the first time to fabricate a nonaqueous zinc-metal polymer battery (ZMPB; VOPO4|i-ZIP|Zn) and zinc-metal hybrid polymer supercapacitor (ZMPS; activated carbon|i-ZIP|Zn) cells. The VOPO(4)cathode employed in ZMPB possesses a layered morphology, exhibiting a high average operating voltage of approximate to 1.2 V. As compared to the conventional polymer cell assembling approach using the ex situ process, the in situ process is simple and it enhances the overall electrochemical performance, which enables the widespread intrusion of ZMPBs and ZMPSs into the application domain. Indeed, considering the promising aspects of the proposed ZIP and its easy processability, this work opens up a new direction for the emergence of the zinc-based energy storage technologies.
}, keywords = {nonaqueous electrolytes, polymer electrolytes, postlithium batteries, Supercapacitors, zinc-metal batteries}, issn = {1613-6810}, doi = {10.1002/smll.202002528, Early Access Date = JUL 2020}, author = {Vijayakumar, Vidyanand and Ghosh, Meena and Kurian, Maria and Torris, Arun and Dilwale, Swati and Badiger, V. Manohar and Winter, Martin and Nair, Jijeesh Ravi and Kurungot, Sreekumar} } @inbook {47146, title = {Indole-based subincanadine alkaloids and their biogenetic congeners }, booktitle = {Indole-based subincanadine alkaloids and their biogenetic congeners }, volume = {83}, number = {Alkaloids-Chemistry and Biology}, year = {2020}, pages = {187-223}, abstract = {
The tryptamine-derived polycyclic bridged bioactive indole alkaloids subincanadines A-G were isolated in 2002 by Ohsaki and coworkers from the bark of the Brazilian medicinal plant Aspidosperma subincanum. Kobayashi proposed that subincanadines D-F could be biosynthetically resulting from stemmadenine via two different pathways and, furthermore, that the subincanadines A-C could be biogenetically resulting from subincanadines D and E. Kam and coworkers, in their focused efforts, isolated five indole alkaloids from Malaysian Kopsia arborea species, namely valparicine, apparicine, arboridinine, arborisidine, and arbornamine in combination with subincanadine E. On the basis of structural features, it has been proposed and proved in some examples that subincanadine E is a biogenetic precursor of these five different bioactive indole alkaloids bearing complex structural architectures. All important information on isolation, characterization, bioactivity, probable biogenetic pathways, and more specifically racemic and enantioselective total synthesis of subincanadine alkaloids and their biogenetic congeners are summarized in the present chapter. Special importance is given to the total synthesis and the synthetic strategies intended therein, comprising a set of main reactions.
}, keywords = {Aspidosperma subincanum species; Bioactive indole alkaloids; Biogenesis; Congeners; Subincanadines A{\textendash}G; Total syntheses}, doi = {10.1016/bs.alkal.2019.12.001 }, author = {Kalshetti, Manojkumar Gulabrao and Argade, Narshinha Panditrao} } @article {46871, title = {Induction of somatic embryogenesis in leaf and root explants of Digitalis lanata Ehrh.: direct and indirect method}, journal = {South African Journal of Botany}, volume = {130}, year = {2020}, month = {MAY}, pages = {356-365}, type = {Article}, issn = {0254-6299}, doi = {10.1016/j.sajb.2020.01.012}, author = {Bhusare, B. P. and John, C. K. and Bhatt, V. P. and Nikam, T. D.} } @article {46725, title = {Influence of cobalt on performance of Cu-CeO2 catalysts for preferential oxidation of CO}, journal = {Journal of Rare Earths}, volume = {38}, year = {2020}, month = {SEP}, pages = {941-950}, type = {Article}, abstract = {
{Copper and cobalt oxides supported on CeO2 were investigated for preferential oxidation of carbon monoxide (CO-PROX) in the presence of excess hydrogen and CO2. (CuO)(1-x)(Co3O4)(x/3)-(CeO2)(2.5) (x = 0, 0.25, 0.50, 0.75, 0.85 and 1) catalysts were prepared by coprecipitation method. These mixed oxide catalysts were characterized by several physicochemical techniques, such as BET surface area (SBET), X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM), temperature programmed reduction (TPR) and X-ray photoelectron spectroscopy (XPS). XRD studies show the peaks related to CuO and Co3O4 phases in copper and cobalt containing CeO2 catalysts. The average particle size of the CeO2 crystallites is in the range of 8-10 nm as evaluated from HRTEM studies. XPS studies demonstrate that Cu, Co and Ce in (CuO)(1-x)(Co3O4)(x/3)-(CeO2)(2.5) catalysts are presented in +2 and +1, +3 and +2 and +4 and +3 oxidation states, respectively. The catalyst with x = 0.75 shows better activity and selectivity towards CO-PROX. Though the catalyst with only copper (CuO-CeO2
}, keywords = {CO-PROX, Cu-CeO2, H2O addition, Methanation, XPS, XRD}, issn = {1002-0721}, doi = {10.1016/j.jre.2019.08.001}, author = {Malwadkar, Sachin and Bera, Parthasarathi and Satyanarayana, C. V. V.} } @article {46909, title = {Influence of fluorine substitution on the molecular conformation of 3 {\textquoteleft}-deoxy-3 {\textquoteleft}-fluoro-5-methyluriaine}, journal = {Acta Crystallographica Section C-Structural Chemistry}, volume = {76}, year = {2020}, month = {APR}, pages = {346+}, type = {Article}, abstract = {
{Fluorine substitutions on the furanose ring of nucleosides are known to strongly influence the conformational properties of oligonucleotides. In order to assess the effect of fluorine on the conformation of 3{\textquoteright}-deoxy-3{\textquoteright}-fluoro-5-methyluridine (T-R(F)), C-10 H13FN2O5, we studied its stereochemistry in the crystalline state using X-ray crystallography. The compound crystallizes in the chiral orthorhombic space group P2(1)2(1)2(1) and contains two symmetry-independent molecules (A and B) in the asymmetric unit. The furanose ring in molecules A and B adopts conformations between envelope (E-2, 2{\textquoteright}-endo
}, keywords = {crystal structure, fluoro nucleoside, pseudorotation parameter, sugar puckering, uridine}, issn = {2053-2296}, doi = {10.1107/S2053229620003083}, author = {Aher, Manisha N. and Erande, Namrata D. and Kumar, Vaijayanti A. and Fernandes, Moneesha and Gonnade, Rajesh G.} } @article {46977, title = {Influence of gold nanorods on the structure and photonic bandgap in a twist grain boundary phase with smectic C* blocks}, journal = {Journal of Molecular Liquids}, volume = {299}, year = {2020}, month = {FEB }, pages = {112117}, type = {Article}, abstract = {
We describe the first report of the influence of gold nanorods (GNR) on the induced twist grain boundary smectic C* (TGBC*) phase in a binary mixture of achiral bent-core and chiral linear liquid crystals. The GNR concentration-dependent phase diagram of these nanocomposites shows that the thermal range of this twist grain boundary phase having smectic C* blocks phase increases by 50\% for an intermediate composition compared to that for the host binary mixture without nanorods. The inclusion of the nanorods is seen to have substantial effect on the structural and photonic bandgap features of the TGBC* phase. For example, the helical periodidty gets altered in all the three dimensions: while those within the block undergo a huge increase, the one which is orthogonal to the blocks, shrinks. The spacing of the square grid pattern arising normal to the TGB helix direction increases for the nanocomposites getting even doubled for a certain composition, a feature evidenced by optical microscopy as well as optical diffraction. Xray diffraction clearly brings out the feature that the presence of GNR alters the thermal character of the transition between the TGBC* and the cholesteric phase. Quantitative analysis of the data indicates that the system would remain in the vicinity of a possible tricritical point, a behavior having wider ramifications to understand the underlying critical phenomenon. Based on the experimental observations, and capturing the essence of the reported adaptive defect core targeting mechanism we propose a model wherein GNRs get confined in the grain boundary region. This feature offers a potential to have periodic and anisotropic plasmonic structure arising out of the synergetic interactions between the metal nanorod and the twisted grain boundary structure. (C) 2019 Elsevier B.V. All rights reserved.
}, keywords = {3D photonic bandgap, Gold nanorods, Induced phase, TGBC* phase, Tricritical phenomena}, issn = {0167-7322}, doi = {10.1016/j.molliq.2019.112117}, author = {Sahoo, Rajalaxmi and Rao, D. S. Shankar and Hiremath, Uma S. and Yelamaggad, V. C. and Shinde, Pravin and Bhagavatula L. V. Prasad and Prasad, S. Krishna} } @article {47001, title = {Influence of the ion size on the stability of the smectic phase of ionic liquid crystals}, journal = {Soft Matter}, volume = {16}, year = {2020}, month = {JAN}, pages = {411-420}, type = {Article}, abstract = {
The thermotropic phase behavior of ionic liquids and ionic liquid crystals based on novel N-alkyl-3-methylpyridinium halides, trihalides and dichloroiodates was experimentally studied by polarized optical spectroscopy (POM) and differential scanning calorimetry (DSC) as well as by molecular dynamics (MD) simulation. In the experiments, the existence and thermal range of stability of the smectic phase of these ionic liquid crystals are found to strongly depend on the volume ratio between the cation and anion, that is their relative size. Only compounds with a relatively large volume ratio of the cation to anion, i.e., those with longer cationic alkyl chains and monoatomic halide anions, have a stable smectic A phase. Both melting points and clearing points increase with such a ratio. The MD simulation results qualitatively agree very well with the experimental data and provide molecular details which can explain the experimentally observed phenomena: the stronger van der Waals interactions from the longer alkyl chains and the stronger electrostatic interactions from the smaller anions with a higher charge density increase the stability of both the crystal phase and the smectic phase; this also prevents the ionic layers from easily mixing with the hydrophobic regions, a mechanism that ultimately leads to a nanosegregated isotropic liquid phase.
}, issn = {1744-683X}, doi = {10.1039/c9sm02115a}, author = {Cao, Wudi and Senthilkumar, Beeran and Causin, Valerio and Swamy, Vincent P. and Wang, Yanting and Saielli, Giacomo} } @article {46672, title = {Inhibition of quorum sensing, motility and biofilm formation ofpseudomonas aeruginosaby copper oxide nanostructures}, journal = {Journal of Cluster Science}, volume = {32}, year = {2020}, month = {OCT}, pages = {1531 - 1541}, type = {Article; Early Access}, abstract = {
Quorum sensing (QS) is the communication between bacterial cells governed by their population density and regulated by the genes controlling virulence factors and biofilm formation. Multiple mechanisms of biofilms are resistive to antimicrobial chemotherapy; therefore novel strategies are required to overcome its limitations. Here, we report the effect of various copper oxide nanostructures (CuO-NSs) on quorum sensing inhibition. The two-dimensional CuO-NSs such as interlaced nanodiscs, nanodiscs and leaf-shaped nanosheets are prepared via a simple chemical method. The Quorum sensing inhibition (QSI) activity of all the CuO-NS are examined using reporter strainChromobacterium violaceumCV026 andEscherichia colipSB1142. We found that the CuO-interlaced nanodisc structures exhibit better QSI activity than nanodiscs and leaf-shaped sheets. The interlaced nanodisc structures are inhibited various long-chainN-acyl homoserine lactones (AHLs) mediated QS individually and confirmed by other QS-associated phenomena forPseudomonas aeruginosa, including biofilm inhibition, inhibition of virulence factors such as pyocyanin, protease production and swarming motility. Thus QSI activity of CuO-NSs is solely dependent on specific shape offering large surface area and more active sites. The CuO-NS is effective quorum sensing inhibitors, which has potential clinical applications in the management ofP. aeruginosaassociated infections.
}, keywords = {aeruginosa, Biofilm, Nanostructures, P, quorum sensing, Virulence factors}, isbn = {1572-8862}, issn = {1040-7278}, doi = {10.1007/s10876-020-01916-2}, author = {Desai, Dnyanada G. and Swarali, H. and Navale, Govinda R. and Prabhune, A. and Late, Dattatray J. and Dharne, Mahesh S. and Walke, Pravin S.} } @article {46968, title = {Insights into the catalytic activity of Ru/NaY catalysts for efficient H-2 production through aqueous phase reforming}, journal = {Sustainable Energy \& Fuels}, volume = {4}, year = {2020}, month = {FEB }, pages = {678-690}, type = {Article}, abstract = {
Ruthenium nanoparticles supported on NaY zeolite catalysts were synthesized by a simple ion exchange method. The structural and morphological features of the catalysts were systematically investigated using numerous techniques such as N-2-sorption, XRD, CO2-TPD, H-2-TPR, TEM, SEM, ICP-OES, TGA, CHN analysis, XPS, in situ CO-FTIR and NMR spectroscopy. These novel Ru-NaY catalysts were highly active and selective for H-2 production through aqueous phase reforming (APR) of glycerol and ethylene glycol. Among the various catalysts evaluated for H-2 production, the 3 wt\% Ru-NaY catalyst demonstrated the highest catalytic performance with excellent H-2 selectivity and this catalyst exhibits better activity as compared to many state of the art catalysts reported so far. The superior catalytic activity of 3 wt\% Ru-NaY was attributed to the appropriate Ru metal loading, good metal dispersion, small size of Ru nanoparticles, better metal-support interaction, and higher availability of catalytically active sites (Ru-0) and facilitated water gas shift (WGS) reaction. This catalytic activity result clearly shows that NaY zeolite supported Ru nanoparticles catalysts have excellent potential for H-2 production from biomass-derived compounds.
}, issn = {2398-4902}, doi = {10.1039/c9se00797k}, author = {Gogoi, Pranjal and Nagpure, Atul S. and Kandasamy, Prabu and Satyanarayana, C. V. V. and Raja, Thirumalaiswamy} } @article {46828, title = {Insights of Bipolaris sorokinianasecretome-anin silicoapproach}, journal = {Biologia}, volume = {75}, year = {2020}, month = {DEC}, pages = {2367-2381}, type = {Article}, abstract = {
The plant pathogen,Bipolaris sorokiniana(teleomorph:Cochliobolus sativus), is of global concern as it attacks many economically important cereals and grasses. During the infection process, phytopathogenic fungi are known to secrete a variety of proteins collectively known as the secretome, analyzing which can help in deciphering the mechanism of fungal pathogenesis. In this study, we performedin silicosecretome analysis ofC. sativusstrain ND90Pr using established secretome prediction pipeline involving software tools such as SignalP, TargetP, TMHMM, big-PI Fungal Predictor, ProtComp, and WoLF PSORT. Using these software and other prediction criteria, we identified 196 probable secretory proteins from theB. sorokinianaproteome. Characterization of the predicted secretome revealed proteins that may have probable functions in degradation of the plant cell wall, lipids, proteins, and nucleic acids, as well as in pathogenesis and metabolism. Further, the PHI-base analysis identified 38 proteins having a possible role in pathogenicity and virulence. This study helped to predict the composition of the secretome ofB. sorokinianaand extrapolate its role in plant infection and pathogen survival. It may provide clues for developing new control strategies targeting the vital fungal secretory proteins.
}, keywords = {Cochliobolus sativus, pathogenesis, Phytopathogenic fungi, Secretory proteins, Virulence}, issn = {0006-3088}, doi = {10.2478/s11756-020-00537-4, Early Access Date = JUN 2020}, author = {Pathak, Gauri M. and Gurjar, Gayatri S. and Kadoo, Narendra Y.} } @article {46714, title = {Integrating structurally perfect s=1/2 kagome-lattice with reduced graphene oxide}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {SEP}, pages = {19753-19759}, type = {Article}, abstract = {
S = 1/2 kagome-lattice hydroxychlorides are promising candidates for realizing the elusive quantum spin liquid (QSL) state. Herbertsmithite [Cu3Zn(OH)(6)Cl-2], a naturally occurring hydroxychloride mineral from the class of atacamites {[Cu-4-xMx(OH)(6)X-2] where M = Zn, Cu, Co, Ni and X = Cl, Br, I}, is one of the most appealing systems to study the QSL state because of the presence of a structurally perfect S = 1/2 kagome-lattice. It is an electrical insulator. However, realizing phase-pure herbertsmithite without imposing harsh reaction conditions remained synthetically challenging. In this work, for the first time, we have synthesized phase-pure herbertsmithite as well as its structural analogue paratacamite, [ZnxCu4-x(OH)(6)Cl-2; 0.33 = x \< 1], at ambient reaction conditions. Furthermore, taking graphene oxide (GO) as an additional precursor in the reaction mixture, we have successfully integrated phase-pure crystallites of herbertsmithite (H) and paratacamite (P) with nanosheets of semiconducting and diamagnetic reduced graphene oxide (rGO) by in situ oxidation-reduction reaction. The isolated H-rGO and P-rGO systems were found to be magnetic semiconductors inheriting strong spin frustration from H and P, and semiconductivity from rGO. The H-rGO system in particular exhibited negative Seebeck coefficient (n-type semiconductor) with a thermoelectric power factor of 0.1 mu W center dot m(-1)center dot K-2 at 400 K. We anticipate the simple chemical principles outlined in this work to be useful for studying a variety of complex QSLs including electron doping. Also, semiconducting and rather unconventional materials of such metal oxochlorides with rGO isolated here need further exploration in view of thermoelectric applications.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c06564}, author = {Gupta, Kriti and Dadwal, Arun and Ninawe, Pranay and Joy, Pattayil A. and Ballav, Nirmalya} } @article {47002, title = {Integration of heterogeneous acid and base catalysis for clean synthesis of jet-fuel precursor from carbohydrates}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {JAN }, pages = {392-400}, type = {Article}, abstract = {
C-12 branched alkane fuel precursor was produced from carbohydrates using an efficient integrated solid acid and base catalysis approach involving: i) isomerisation-dehydration of carbohydrates to 5-(hydroxymethyl)furfural (HMF) over solid acid catalyst having both Lewis and Bronsted sites) in a biphasic MIBK (methylisobutylketone): water + DMSO solvent system and ii) Claisen-Schmidt condensation of crude HMF with MIBK over solid base catalyst. Initially, high yield of jet fuel precursor, (E)-1-(5-(hydroxymethyl)furan-2-yl)-5-methylhex-1-en-3-one from pure HMF and MIBK was achieved over basic CaMgAl(231) catalyst. The glucose dehydration to HMF was optimized in biphasic MIBK: H2O-NaCl: DMSO (8:1.5:0.5; v/v/v) system, with complete glucose conversion and 42\% HMF yield over Zr-Mont possessing both Lewis and Bronsted acid sites. In an integrated dehydration + Claisen-Schmidt condensation sequence, Zr-Mont catalyst was filtered off and the crude HMF with MIBK underwent Claisen-Schmidt condensation over CaMgAl(231) catalyst. The overall 32\% yield of Claisen-Schmidt condensation product was achieved from glucose. MIBK acting also as a product extractant, could be recovered upto 80\%.
}, keywords = {Claisen-Schmidt condensation, dehydration, integrated, jet-fuel precursor, renewable}, issn = {2365-6549}, doi = {10.1002/slct.201903735}, author = {Shinde, Suhas and Tarade, Komal and Mitra, Gaurav and Rode, Chandrashekhar} } @article {46939, title = {Intensified reactive distillation configurations for production of dimethyl ether}, journal = {Chemical Engineering and Processing-Process Intensification}, volume = {149}, year = {2020}, month = {MAR}, pages = {107824}, type = {Article}, abstract = {
The combustion properties of dimethyl ether (DME) are similar to the conventional fuels; hence it is being used as a promising green energy source. The conventional method of DME production by methanol dehydration is highly energy consuming due to the use of a series of distillation columns. In the present study, an energy efficient reactive distillation configuration is proposed for DME production which leads to higher methanol conversion with less energy requirement as compared to reported configurations. The reactive distillation (RD) and dual reaction zone reactive divided wall column (RDWC) were analyzed using steady state ASPEN simulations. Subsequently, all the design parameters were optimized by sensitivity analysis to minimize the Total Annual Cost (TAC) of the configuration. The results showed that the RD column is more energy efficient than RDWC as it requires 10.68 \% less TAC. The proposed RD and dual reaction zone RDWC configurations were found to have less specific energy requirements and less cost per kg of DME than any other configuration reported earlier.
}, keywords = {Energy efficient configuration, Reactive distillation, Reactive divided wall column, Total annual cost}, issn = {0255-2701}, doi = {10.1016/j.cep.2020.107824}, author = {Gor, Nikhil K. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {46710, title = {Interaction of Tau with the chemokine receptor, CX3CR1 and its effect on microglial activation, migration and proliferation}, journal = {Cell and Bioscience}, volume = {10}, year = {2020}, month = {SEP}, pages = {109}, type = {Review}, abstract = {
Alzheimer{\textquoteright}s disease (AD) is a neurodegenerative disease that leads to progressive loss of memory and dementia. The pathological hallmarks of AD include extracellular accumulation of amyloid-beta peptides forming senile plaques and intracellular accumulation of Tau oligomers and filamentous species. Tau is a microtubule-binding protein that stabilizes tubulin to form microtubules under physiological condition. In AD/ pathological condition, Tau detaches from microtubules and aggregates to form oligomers of different sizes and filamentous species such as paired helical filaments. Microglia are the resident brain macrophages that are involved in the phagocytosis of microbes, cellular debris, misfolded and aggregated proteins. Chemokine receptor, CX3CR1 is mostly expressed on microglia and is involved in maintaining the microglia in a quiescent state by binding to its ligand, fractalkine (CX3CL1), which is expressed in neurons as both soluble or membrane-bound state. Hence, under physiological conditions, the CX3CR1/CX3CL1 axis plays a significant role in maintaining the central nervous system (CNS) homeostasis. Further, CX3CR1/CX3CL1 signalling is involved in the synthesis of anti-inflammatory cytokines and also has a significant role in cytoskeletal rearrangement, migration, apoptosis and proliferation. In AD brain, the expression level of fractalkine is reduced, and hence Tau competes to interact with its receptor, CX3CR1. In microglia, phagocytosis and internalization of extracellular Tau species occurs in the presence of a chemokine receptor, CX3CR1 which binds directly to Tau and promotes its internalization. In this review, the pathophysiological roles of CX3CR1/fractalkine signalling in microglia and neurons at different stages of Alzheimer{\textquoteright}s disease and the possible role of CX3CR1/Tau signalling has been widely discussed.
}, keywords = {Alzheimer{\textquoteright}s disease, CX3CR1 receptor, Fractalkine, microglia, Neuron, Tau}, doi = {10.1186/s13578-020-00474-4}, author = {Chidambaram, Hariharakrishnan and Das, Rashmi and Chinnathambi, Subashchandrabose} } @article {46926, title = {Investigating effect of strain on electronic and optical properties of lead free double perovskite Cs2AgInCl6 solar cell compound: A first principle calculation}, journal = {Journal of Alloys and Compounds}, volume = {817}, year = {2020}, month = {MAR}, pages = {152758}, type = {Article}, abstract = {
Despite serious problems associated with toxicity of lead, lead halide perovskite based solar cells have resulted with remarkable efficiency and hence gained much interest. To overcome this aspect, numerous solutions are attempted by researchers which include the development of new environmental friendly lead free double perovskite (DP) photovoltaic materials. Enlightening on the same line, we report first principle calculations on electronic and optical properties of Cs2AgInCl6 solar photovoltaic materials. Present opto-electronic computations for lead free DP compound, have been performed using the full potential linearized augmented plane wave method. In present investigations, we have adopted exchange and correlation potentials prescribed by Perdew et al. and the most accurate Tran-Blaha modified Becke-Johnson. Both exchange and correlation potential computations are performed with and without spin orbit coupling. Results obtained for electronic and optical properties are validated by systematic comparison with available experimental data. Reasonable reconciliation between investigated results and the available experimental data, endorse accuracy of present computations. To identify the effect of strain on energy gap and hence on the optical properties of Cs2AgInCl6 compound, computations of electronic and optical properties have also been performed under the different values of strain application. (C) 2019 Elsevier B.V. All rights reserved.
}, keywords = {Density functional theory, Electronic Structure, Optical properties, solar cells}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2019.152758}, author = {Soni, Amit and Bhamu, K. C. and Sahariya, Jagrati} } @article {46640, title = {Investigation of bond topological and electrostatic properties of plumbagin molecule: an experimental and theoretical charge density study}, journal = {Journal of Molecular Structure}, volume = {1220}, year = {2020}, month = {NOV}, pages = {128714}, type = {Article}, abstract = {
Plumbagin is a naturally occurring derivative with several medicinal properties including antioxidants, antifungal, antimalarial, leprosy and antitumor properties; their structural and electrostatic properties are yet to be determined. The crystal structure of plumbagin has been solved; it shows that the compound crystallizes in P2(1)/c space group with two molecules in the asymmetric unit. The electron density distribution of both molecules have determined from multipole model refinement. Among all the C-O bonds of both molecules (I \& II), the OH group connected C-O bond and the methyl group connected C-C bond exhibits less electron density and the negative Laplacian of electron density as well. Further, the electrostatic potential (ESP) surface of two plumbagin molecules show some difference in their electronegative regions. The carbonyl O-atoms exhibit high electronegative ESP regions which are the key reactive locations of plumbagin when bind with the active site of target protein and in the ESP map, an aromatic pi-cloud also observed in one of the molecule. The electron density distribution of O-H center dot center dot center dot O intermolecular interactions between the molecules I and II, reveals that these interactions are found very stronger than the other interactions in the crystal. (C) 2020 Elsevier B.V. All rights reserved.
}, keywords = {Dipole moment, Electron density, Electrostatic potential, intermolecular interactions, Plumbagin}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2020.128714}, author = {Kalaiarasi, Chinnasamy and Sivanandam, Magudeeswaran and Suganya, Suresh and Christy, George and Gonnade, Rajesh G. and Hathwar, Venkatesha R. and Kumaradhas, Poomani} } @article {46798, title = {Iron-catalyzed C(sp(2))-H alkylation of indolines and benzo[h]quinoline with unactivated alkyl chlorides through chelation assistance}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {JUL }, pages = {7312-7321}, type = {Article}, abstract = {
Regioselective C-H bond alkylation of indolines and benzo[h]quinoline with a wide range of unactivated and highly demanded primary and secondary alkyl chlorides is accomplished using a low-cost iron catalyst. This reaction tolerates diverse functionalities, such as C(sp(2))-Cl, fluoro, alkenyl, silyl, ether, thioether, pyrrolyl, and carbazolyl groups including cyclic and acyclic alkyls as well as alkyl-bearing fatty-alcohol and polycyclic-steroid moieties. The demonstrated iron-catalyzed protocol proceeded via either a five-membered or a six-membered metallacycle. Intriguingly, the C-7-alkylated indolines can be readily functionalized into free-NH indolines/indoles and tryptamine derivatives. A detailed mechanistic investigation highlights the participation of an active Fe(I) catalyst and the involvement of a halogen-atom transfer process via a single-electron-based mechanism. Deuterium labeling and kinetics analysis indicate that the C-H metalation of indoline is the probable turnover-limiting step. Overall, the experimental and theoretical studies supported an Fe(I)/Fe(III) pathway for the alkylation reaction comprising the two-step, one-electron oxidative addition of alkyl chloride.
}, keywords = {alkyl chlorides, Alkylation, C-H activation, chelation assistance, indolines, iron}, issn = {2155-5435}, doi = {10.1021/acscatal.0c02030}, author = {Jagtap, Rahul A. and Samal, Pragnya Paramita and Vinod, C. P. and Krishnamurty, Sailaja and Punji, Benudhar} } @article {46745, title = {Iron-catalyzed direct julia-type olefination of alcohols}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {AUG }, pages = {9876-9886}, type = {Article}, abstract = {
Herein, we report an iron-catalyzed, convenient, and expedient strategy for the synthesis of styrene and naphthalene derivatives with the liberation of dihydrogen. The use of a catalyst derived from an earth-abundant metal provides a sustainable strategy to olefins. This method exhibits wide substrate scope (primary and secondary alcohols) functional group tolerance amino, nitro, halo, alkoxy, thiomethoxy, and S- and N-heterocyclic compounds) that can be scaled up. The unprecedented synthesis of 1-methyl naphthalenes proceeds via tandem methenylation/double dehydrogenation. Mechanistic study shows that the cleavage of the C-H bond of alcohol is the rate-determining step.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c01173}, author = {Landge, Vinod G. and Babu, Reshma and Yadav, Vinita and Subaramanian, Murugan and Gupta, Virendrakumar and Balaraman, Ekambaram} } @article {47140, title = {Isolation of potent alpha-glucosidase inhibitor from a novel marine bacterium Arthrobacter enclensis}, journal = {SN Applied Sciences}, volume = {2}, year = {2020}, month = {FEB}, pages = {Article number: 474}, abstract = {
Alpha-glucosidases are involved in the hydrolyzation of glycosidic bond of di- or oligo-saccharides into mono-saccharides, thus help in the breakdown and absorption of sugars. Inhibition of alpha-glucosidases by inhibitors tend to slow break down and release of sugars into the bloodstream and can be used as therapeutic agents in the treatment of diabetes and obesity. In particular, some of the inhibitors are used in the treatment mainly acarbose, voglibose, and miglitol. In this study, we have reported the alpha-glucosidase inhibitory compound from a newly described marine bacterium Arthrobacter enclensis. The purified compound from A. enclensis was identified by HPLC, and further FTIR and tandem mass spectrometry (MS/MS) methods. The purified compound was annotated and identified by a Web tool CFM-ID (Competitive Fragmentation Modeling for Metabolite Identification). From analysis it was found that the compound showed high similarity with acarbose which is a C7N aminocyclitol compound. Further, we analyze the draft genome of A. enclensis using anti-SMASH. We observed that it matches the homology with biosynthetic gene cluster of acarviostatin and acarbose with 11\% and 7\% respectively. We demonstrated that, the purified compound from A. enclensis shows the inhibitory activity against alpha-glucosidase with an IC50 value of 500 {\textpm} 0.142\ μg/ml as compared to standard acarbose, which showed an IC50 value of 200 {\textpm} 0.012\ μg/ml. This result suggests that A. enclensis has a tendency to produce a C7N aminocyclitol like molecule which matched to acarbose and it uses different biosynthetic gene cluster for the synthesis of C7N aminocyclitol like molecule, which can be further used for the production and treatment purpose.
}, doi = {10.1007/s42452-020-2285-3}, author = {Mawlankar, Rahul B. and Dharne, Mahesh S. and Dastager, Syed G.} } @article {47141, title = {Isothermal cold crystallization kinetics of borassus powder/poly(lactic acid) biocomposites}, journal = {Polymer Crystallization}, volume = {3}, year = {2020}, month = {FEB}, type = {Article}, abstract = {
Poly(lactic acid) (PLA) is an important bioplastic which is semicrystalline with very slow crystallization rate. Therefore, the processed PLA products are usually amorphous and transparent with low mechanical properties. Currently, research efforts are focused on enhancing the crystallization rate of PLA. In this work, natural borassus fibers are incorporated into PLA and the isothermal cold crystallization kinetics is investigated using differential scanning calorimetry and Avrami equation. The isothermal cold crystallization studies revealed that, the relative crystallinity increases with the increasing content of borassus. The Avrami exponent {\textquotedblleft}n{\textquotedblright} was determined ~2.0 indicated the one-dimensional crystal growth with rod-like geometry. The overall crystallization rate increased due to the borassus content and was expressed by crystallization halftime (t1/2). This study clearly showed that borassus fibers act as nucleating agent.
}, doi = {10.1002/pcr2.10097}, author = {Marathe, Yogesh Nana and Chellaswamy, Ramesh and Badiger, Manohar Virupax} } @article {47026, title = {Kinetic and biocompatibility investigation on the catalytic ring opening polymerization of L-lactide in bulk using cyclic Bu2Sn initiators derived from ethylene glycol, pentaerythritol and cloisite 30B}, journal = {Polyhedron}, volume = {175}, year = {2020}, month = {JAN }, pages = {114202}, type = {Article}, abstract = {
In the present work, considering a green approach, PLLA was synthesized by the ring-opening polymerization of L-LA using various cyclic initiators (2,2-dibutyl-2-stanna-1,3-dioxacyclo ethane (1), spirocyclic tin (3) and cloisite modified tin (5)). PLLA was characterized by size exclusion chromatography, differential scanning calorimetry, H-1 and C-13 NMR, XRD and MALDI-TOF. The molecular weight distribution was narrow (\<1.5) for both low and high molecular weights (\>85,000 g/mol). An X-ray study showed the crystalline nature of PLLA, irrespective of the different types of initiators and polymerization conditions. A kinetic investigation showed that all polymerizations were first order with respect to the monomer and no termination reactions occurred during the polymerization. MALDI-TOF spectra of PLLA chains doped with Na+ and K+ cations show that the PLLA prepared using initiators 1 and 3 have hydroxyl and carboxyl end groups without incorporation of tin. The MALDI-TOF spectrum of PLLA prepared using initiator 5 also enabled the simultaneous detection of the linear and cyclic structure of PLLA without tin. Biocompatible and biodegradable PLLA was obtained, which could be used for biomedical applications. (C) 2019 Elsevier Ltd. All rights reserved.
}, keywords = {Cloisite modified tin, Cyclic tin initiator, MALDI-TOF, Poly (L-Lactide), Spirocyclic}, issn = {0277-5387}, doi = {10.1016/j.poly.2019.114202}, author = {Mohite, Kavita K. and Garnaik, Baijayantimala} } @article {46889, title = {Kinetics of hydroformylation of camphene using rhodium-phosphite catalyst}, journal = {International Journal of Chemical Kinetics}, volume = {52}, year = {2020}, month = {JUL}, pages = {485-495}, type = {Article}, abstract = {
Kinetics of hydroformylation of camphene was investigated in the presence of [Rh(CO)(2)(acac)]/P(OPh)(3) catalyst in a temperature range of 363-383 K. The influence of parameters such as stirring speed, camphene, catalyst, ligand concentrations, and partial pressures of H-2 and CO on the activity and selectivity of the catalyst has been studied. The rate showed a first-order dependence with respect to catalyst and camphene concentrations. The effect of partial pressure of hydrogen showed fractional order dependence. The plots of rate versus excess ligand, that is, (P(OPh)(3)) concentration and rate versus CO partial pressure passed through maxima and showed typical substrate/ligand inhibited kinetics. An empirical rate equation has been proposed and found to be in good agreement with the observed rate data. The kinetic parameters and activation energy were also evaluated.
}, keywords = {camphene, homogeneous, Hydroformylation, kinetics, rhodium-phosphite}, issn = {0538-8066}, doi = {10.1002/kin.21364, Early Access Date = APR 2020}, author = {Pagar, Nitin S. and Rajurkar, Kalpendra B. and Deshpande, Raj M.} } @article {46645, title = {Lauric acid sophorolipid: accelerating the gelation of silk fibroin}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {NOV}, pages = {28571-28578}, type = {Article}, abstract = {
Silk fibroin (SF) hydrogels find wide applications in tissue engineering. However, their scope has been limited due to the long gelation time in ambient conditions. This paper shows the reduction in gelation time of silk fibroin to minutes upon doping with a newly synthesized lauric acid sophorolipid (LASL). LASL comprises a fatty acid, lauric acid (with a 12-carbon aliphatic chain), that is derivatized by glucose molecules using a non-pathogenic yeast Candida bombicola. LASL was characterized using spectroscopic (Fourier transform infrared spectroscopy) and chromatographic (high-performance liquid chromatography, thin-layer chromatography, and high-resolution mass spectrometry) methods. This gelation of SF is comparable to the effect of an anionic surfactant, sodium dodecyl sulfate (SDS). The microstructure of SF-LASL hydrogels was investigated by small-angle neutron scattering (SANS) measurements and exhibited the beads-on-a-necklace model. The rheological properties of these hydrogels show similarity to SF-SDS hydrogels, therefore presenting a greener alternative for tissue engineering applications.
}, issn = {2470-1343}, doi = {10.1021/acsomega.0c03411}, author = {Hirlekar, Swarali and Ray, Debes and Aswal, Vinod K. and Prabhune, Asmita A. and Nisal, Anuya} } @article {46719, title = {LHRH-conjugated, PEGylated, poly-lactide-co-glycolide nanocapsules for targeted delivery of combinational chemotherapeutic drugs Docetaxel and Quercetin for prostate cancer}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {114}, year = {2020}, month = {SEP}, pages = {111035}, type = {Article}, abstract = {
One of the major challenges in effective cancer chemotherapy is the severe systemic cytotoxicities of anticancer drugs on healthy tissues. The present study reports chemically modified polymeric nanocapsules (NCs) encapsulating combination of chemotherapeutic drugs Docetaxel (DTX) and Quercetin (QU) for its active targeting to prostate cancer (PCa). The active targeting was achieved by conjugating Luteinizing-hormone-releasing hormone (LHRH) ligand to poly-lactide-co-glycolide (PLGA) using polyethylene glycol (PEG) as a spacer. The structure of the conjugates was characterized and confirmed using H-1 NMR and ATR-FTIR. The drug encapsulated NCs showed a homogenous size distribution with their size ranging between 120 and 150 nm, and exhibited a negative zeta potential in the range of - 20 to - 40 mV. The in vitro release studies highlighted the sustained drug release pattern from the respective NCs; while the PEG coating to polymeric NCs provided serum stability to the NCs. The in vitro biological evaluation of the NCs was conducted using PC-3 and LNCaP cell lines. The results of the cellular uptake studies showed a significantly higher untake of the LHRH targeted NCs, while the LHRH-targeted-PEGylated DTX: QU NCs exhibited higher caspase-3 activity. The cell viability assay results showed the enhanced cell inhibition activity of the combinatorial DTX: QU when compared to individual DTX. Further, higher cell cytotoxicity was achieved by LHRH-targeted DTX: QU NCs as compared to their free-form or non-targeted NCs. Finally, the results of in vivo tumor localization and in vivo antitumor activity studies complimented and upheld the in vitro results, demonstrating the beneficial role of PLGA-PEG-LHRH NCs encapsulating combination of DTX and QU in combating prostate cancer (PCa).
}, keywords = {Active targeting, Anticancer, Controlled release, EPR effect, Hydrophobic, Prostate}, issn = {0928-4931}, doi = {10.1016/j.msec.2020.111035}, author = {Shitole, Ajinkya A. and Sharma, Neeti and Giram, Prabhanjan and Khandwekar, Anand and Baruah, Meghna and Garnaik, Baijayantimala and Koratkar, Santosh} } @article {46991, title = {Ligand structure directed dimensionality reduction (2D -> 1D) in lead bromide perovskite}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {JAN}, pages = {1888-1897}, type = {Article}, abstract = {
Low dimensional (2D, 1D) lead halide perovskites are currently attracting huge research interest due to their enabling properties. Demonstrating synthetic control on the dimensionality/ structure of these perovskites is highly challenging. Dimensionality in these perovskites is largely dictated by the nature/structure and composition of the incorporating ligands and the utilized synthetic conditions. Here, we demonstrate chemical composition based control on reduction of dimensionality (2D -\> 1D) for lead bromide perovskite utilizing 2-(2-aminoethyl)isothiourea dihydrobromide as a common precursor ligand (Isothio Bromide). Controlling the hydrothermal reaction parameters (temperature, time) at a fixed precursor ratio affords corner-shared, contorted 2D sheet perovskite and corner-shared, contorted, chiral 1D chain perovskite. Such dimensionality reduction leads to contrasting photophysical properties: 1D chain perovskite shows long-lived and self-trapped broad band emission, whereas 2D perovskite shows short-lived, band edge emission with a long tail. Mechanistic studies and single crystal structure analysis reveal the incorporation of the utilized precursor ligand (Isothio Bromide) in 2D perovskite. Surprisingly, the 1D perovskite is found to be chiral (P2(1) space group) incorporating 2-(2-aminoethyldisulfanyl)ethanamine and ammonium ions as the achiral ligands generated in situ due to hydrothermal cleavage of the precursor (Isothio Bromide) ligand. Such structural and compositional change of the ligands, which manifests a different hydrogen bonding network in the resultant perovskite structure, plays a decisive role in dictating the final molecular formula and dimensionality/structure of the perovskite which largely controls their photophysical properties.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.9b11033}, author = {Bakthavatsalam, Rangarajan and Haris, Muhammed P. U. and Shaikh, Samir R. and Lohar, Amruta and Mohanty, Ashutosh and Moghe, Dhanashree and Sharma, Shivani and Biswas, Chinmoy and Raavi, Sai Santhosh Kumar and Gonnade, Rajesh G. and Kundu, Janardan} } @article {47143, title = {Lignocellulose-derived platform molecules: an introduction}, journal = {Recent Advances in Development of Platform Chemicals}, year = {2020}, month = {JAN}, pages = {1-31}, type = {Book Chapter}, abstract = {
Fossil feedstocks such as crude oil, natural gas, and coal are formed by natural anaerobic decomposition of buried organisms for a period of more than 650\ million years. On the other hand, agrobiomass is quick to grow and becomes a renewable source of chemical and fuel production through processing in a biorefinery.
}, keywords = {Biomass, Biorefinery Cellulose, Lignocellulose Petrofinery, Platform molecules}, doi = {10.1016/B978-0-444-64307-0.00001-9}, author = {Shinde, Suhas H. and Hengne, Amol and Rode, Chandrashekhar V.} } @article {46757, title = {Lipid-dependent conformational landscape of the ErbB2 growth factor receptor dimers}, journal = {Chemistry and Physics of Lipids}, volume = {230}, year = {2020}, month = {AUG}, pages = {104911}, type = {Article}, abstract = {
Altered lipid metabolism has been linked to cancer development and progression. Several roles have been attributed to the increased saturation and length of lipid acyl tails observed in tumors, but its effect on signaling receptors is still emerging. In this work, we have analyzed the lipid dependence of the ErbB2 growth factor receptor dimerization that plays an important role in the pathogenesis of breast cancer. We have performed coarse-grain ensemble molecular dynamics simulations to comprehensively sample the ErbB2 monomer-dimer association. Our results indicate a dynamic dimer state with a complex conformational landscape that is modulated with increasing lipid tail length. We resolve the native N-terminal {\textquoteleft}{\textquoteleft}active{\textquoteright}{\textquoteright} and C-terminal {\textquoteleft}{\textquoteleft}inactive{\textquoteright}{\textquoteright} conformations in all membrane compositions. However, the relative population of the N-terminal and C-terminal conformers is dependent on length of the saturated lipid tails. In short-tail membranes, additional non-specific dimers are observed which are reduced or absent in long-tailed bilayers. Our results indicate that the relative population as well as the structure of the dimer state is modulated by membrane composition. We have correlated these differences to local perturbations of the membrane around the receptor. Our work is an important step in characterizing ErbB dimers in healthy and diseased states and emphasize the importance of sampling lipid dynamics in understanding receptor association.
}, keywords = {ErbB2 dimer, Lipid effects, Martini coarse-grained simulations, Membrane protein structure, Transmembrane association}, issn = {0009-3084}, doi = {10.1016/j.chemphyslip.2020.104911}, author = {Gopal, Srinivasa M. and Pawar, Aiswarya B. and Wassenaar, Tsjerk A. and Sengupta, Durba} } @article {46627, title = {Macro and molecular level insights on gas hydrate growth in the presence of hofmeister salts}, journal = {Industrial \& Engineering Chemistry Research}, volume = {59}, year = {2020}, month = {NOV }, pages = {20591-20600}, type = {Article}, abstract = {
The effect of few monovalent salts (NaCl, NH4Cl, and GdmCl) as additives, according to the Hofrneister series on the growth of methane gas hydrates, has been studied using experiments as well as molecular dynamics (MD) simulation. Further, the Hofmeister effects on hydrate crystallization have been correlated with the methanol as an additive, which is a known thermodynamic hydrate inhibitor for hydrate growth. One of the previous studies (discussed later in this article) available in the literature concludes that methane hydrate formation from ice might show enhanced kinetics in the presence of salts; this behavior is contrary to the general usage of such salts as hydrate inhibitors. This conclusion may not necessarily be true for experiments done with liquid water, and therefore, this work explores the behavior of these salts in a lab-scale setup. In addition, current work reports detailed MD simulation studies to gain insight into the mechanism of hydrate formation in the presence of Hofmeister series salts at two different concentrations of 1 and 10 wt \% in water and compare the results with hydrate formation in the methanol-water system. Our study suggests that the presence of these additives at low concentrations (1 wt \%) does enhance the hydrate growth kinetics. However, at higher concentrations (10 wt \%), inhibition by these additives persisted, and prolonged nucleation, as well as retarded growth, was observed.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.0c04389}, author = {Choudhary, Nilesh and Kushwaha, Omkar Singh and Bhattacharjee, Gaurav and Chakrabarty, Suman and Kumar, Rajnish} } @article {47024, title = {Magnetic and luminescent multifunctional nanohybrid: Fe3O4@CaF2:Tb3+: a facile synthesis and characterization}, journal = {Indian Journal of Pure \& Applied Physics}, volume = {58}, year = {2020}, month = {JAN}, pages = {31-35}, type = {Article}, abstract = {
In the present study, bi-functional hybrid nanomaterial has been synthesized and characterized via facile method and characterized. The synthesized nanomaterial shows both magnetic and luminescent properties which are confirmed by VSM (vibrating sample magnetometer), UV-Vis spectra and the photoluminescence emission spectra. For the magnetic phase, i.e., nanocrystalline magnetite, Fe3O4 is used as the core which is then functionalized using polyethylene glycol (PEG) and for the luminescent phase, polyethylenimine (PEI) functionalized CaF2 doped with Tb3+ is used as the emitter. Wherein, both PEG and PEI serve the dual purpose of functionalization as well as stabilization by steric repulsion. The structure and morphology of the synthesized bifunctional hybrid nanomaterial are studied with the help of scanning electron microscopy (SEM) and X-ray powder diffraction.
}, keywords = {Biocompatible, CaF2, Co-precipitation, Fe3O4, Luminescent nanoparticle, Magnetic nanoparticles, Nanohybrid, Tb3+ doping}, issn = {0019-5596}, author = {Vats, Monika and Kumar, Rakesh and Sharma, Jyotsna and Luwang, Meitram Niraj} } @article {47027, title = {Magnetically separable catalyst for condensation of renewable aldehydes and 2-methylfuran to saturated cyclic oxygenates}, journal = {Fuel Processing Technology}, volume = {197}, year = {2020}, month = {JAN}, pages = {106191}, type = {Article}, abstract = {
The saturated cyclic ethers produced from biomass derived aldehydes and 2-methylfuran are the potential diesel fuel candidates. The synthesis of saturated cyclic ethers is a two step process which involves acid catalyzed condensation of aldehydes with 2-methylfuran and the subsequent selective furan ring hydrogenation of the condensation products. Here, we designed a novel recyclable magnetic solid acid catalyst such as [Fe3O4@SiO2-Pr-Py-H][2HSO(4)(2-)] and employed for the condensation of 2-methylfuran with formaldehyde as model substrates and reaction parameters were optimized. Under the set reaction conditions, condensation of 2-methylfuran with several other aldehydes were also successfully achieved with very good yields. Further, several supported noble metal catalysts were screened in order to find suitable catalyst system for selective furan ring hydrogenation of condensation products. Among those, 5\% Pd/C was found to be very active and selective for furan ring hydrogenation without formation of ring opened products under very low hydrogen pressure at room temperature. Prepared catalysts were thoroughly characterized with sophisticated techniques.
}, keywords = {fuel additives, Hydrogenation, Hydroxyalkylation-alkylation, Magnetic solid acid, Organosilica}, issn = {0378-3820}, doi = {10.1016/j.fuproc.2019.106191}, author = {Tarade, Komal and Shinde, Suhas and Rode, Chandrashekhar} } @proceedings {47328, title = {Magnetism in bimetallic NiII-CoII coordination polymer}, volume = {2265}, year = {2020}, month = {NOV}, publisher = {American Institute of Physics Inc.}, abstract = {
Co-BDC ([Co2(OH)2BDC], H2BDC = 1,4-benzenedicarboxylic acid) is known to possess metamagnetism originating from the antiparallel spins and high magneto crystalline anisotropy of Co(II).1\ Herein, we have introduced a bimetallic concept by incorporating Ni(II) along with Co(II) in the same coordination polymer to modulate the magneto crystalline anisotropy in the lattice which in turn, affects the overall magnetic response of the coordination polymer. The Curie-Weiss equation fit suggested antiparallel arrangement of the spins (θ ≈ -62.5 K) of Ni(II) and Co(II) arranged in alternate fashion. The cusp in magnetization was observed at 7 K (Tc) with a significant coercive field of \~{}750 Oe at 5 K.
}, doi = {10.1063/5.0017747}, author = {Gupta, Kriti and Dadwal, Arun and Joy, Pattayil and Ballav, Nirmalya} } @article {46993, title = {Manganese-catalyzed alpha-olefination of nitriles with secondary alcohols}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {JAN}, pages = {947-954}, type = {Article}, abstract = {
An expedient catalytic approach for alpha-olefination of nitriles using secondary alcohols with the liberation of molecular hydrogen and water as the only byproducts is reported. This reaction is catalyzed by a molecularly defined manganese(I) pincer complex and operates in the absence of any hydrogen acceptors. A broad range of substrates including cyclic, acyclic, and benzylic alcohols, as well as various nitrile derivatives, such as arylmethyl and heteroarylmethyl nitriles, are employed in the reaction to provide a diverse range of alpha-vinyl nitriles in good to excellent yields. Mechanistic studies showed that the reaction proceeds via dehydrogenative pathway and the activation of alpha(C-H) bond of the alcohol is the rate-determining step.
}, keywords = {acceptorless dehydrogenation, Alcohol, alpha-olefination, Hydrogen, manganese}, issn = {2155-5435}, doi = {10.1021/acscatal.9b02811}, author = {Yadav, Vinita and Landge, Vinod G. and Subaramanian, Murugan and Balaraman, Ekambaram} } @article {46755, title = {Maximization of furanic compounds formation by dehydration and hydrogenation of xylose in one step over SO3-H functionalized H-beta catalyst in alcohol media}, journal = {Biomass \& Bioenergy}, volume = {139}, year = {2020}, month = {AUG}, pages = {105646}, type = {Article}, abstract = {
Furanic compounds such as furfural (FUR); furfuryl alcohol (F. Alc) are important renewable platform chemicals can be used as such or further convert for preparation of other value added products such as Levulinic acid (LA), Alkyl Levulinates, 2-Methyltetrahydrofuran (MTHF), and Tetrahydrofuran (THF) etc. Sulfonated H-beta zeolite was successfully prepared and used for the synthesis of furanic compounds especially FUR and F. Alc from c-xylose in one step using isopropanol as alcohol media. Prepared catalyst was well characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), BET, NH3-Temperature programmed desorption (TPD) and carbon-hydrogen-nitrogen-sulfur analysis (CHNS). It was found the total acid amount was increased with increase in sulfur loading which confirmed the sulfonic acid group (SO3-H) was successfully grafted onto zeolite structure. 3 wt\% H-beta-SO3-H catalyst with optimized reaction parameters of 150 degrees C, 7 h, 25 wt\% catalyst loading was tuned to get the highest furanic compound yield of 88.5\% (FUR 76.8\% + F.Alc 11.7\%).The reusability study confirmed that there was a marginal drop of similar to 25\% after 3 recycle runs.
}, keywords = {furfural, Furfuryl alcohol, H-beta, isopropanol, sulfonated zeolite, Xylose}, issn = {0961-9534}, doi = {10.1016/j.biombioe.2020.105646}, author = {Gupta, Anshita and Nandanwar, Sachin U. and Niphadkar, Prashant and Simakova, Irina and Bokade, Vijay} } @article {46874, title = {Mechanistic aspects of methanol electro-oxidation reaction through cyclic voltammetry: is it correct to blame carbon monoxide for catalyst poisoning?}, journal = {Energy Technology}, volume = {8}, year = {2020}, month = {MAY}, pages = {1900955}, type = {Article}, abstract = {
The mechanism of the methanol oxidation reaction is revisited using systematic cyclic voltammetric studies. These studies clearly indicate that the peak during the cathodic scan belongs mainly to electro-oxidation of the carbon monoxide, and that only a fraction of this carbon monoxide remains adsorbed on the electrode, contrary to what previous reports suggested. More details can be found in article number by Bhagavatula L. V. Prasad and co-workers.
}, keywords = {carbon monoxide, cyclic voltammetry, electrocatalysts, electrode poisoning, Methanol oxidation}, issn = {2194-4288}, doi = {10.1002/ente.201900955}, author = {Deshpande, Pooja S. and Chaudhari, Vijay R. and Prasad, Bhagavatula L. V.} } @article {46945, title = {Melatonin interacts with repeat domain of Tau to mediate disaggregation of paired helical filaments}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1864}, year = {2020}, month = {MAR}, pages = {129467}, type = {Article}, abstract = {
Tau is the major neuronal protein involved in the stabilization of microtubule assembly. In Alzheimer{\textquoteright}s disease, Tau self-assembles to form intracellular protein aggregates which are toxic to cells. Various methods have been tried and tested to restrain the aggregation of Tau. Most of the agents tested for this purpose have limitations in their effectiveness and availability to neuronal cells. We have tested melatonin, a neurohormone secreted by pineal gland and a well-known anti-oxidant, for its ability to interact with the repeat domain of Tau using ITC and NMR. In aggregation inhibition and disaggregation studies of repeat Tau, melatonin was found to modulate the aggregation propensity of repeat Tau at a concentration of 5000 mu M and was more effective in dissolving preformed aggregates rather than acting as an aggregation inhibitor. However, there were no major conformational changes in Tau in presence of melatonin as observed by CD spectroscopy. On the basis of our findings, we are proposing a mechanism by which melatonin can interact with the repeat domain of Tau and exhibit its disaggregation effect.
}, keywords = {Alzheimer{\textquoteright}s disease, Disaggregation, melatonin, Paired helical filaments, tau protein, Tauopathies}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2019.129467}, author = {Balmik, Abhishek Ankur and Das, Rashmi and Dangi, Abha and Gorantla, Nalini Vijay and Marelli, Udaya Kiran and Chinnathambi, Subashchandrabose} } @article {46613, title = {Melatonin reduces GSK3 beta-mediated tau phosphorylation, enhances Nrf2 nuclear translocation and anti-inflammation}, journal = {ASN Neuro}, volume = {12}, year = {2020}, month = {DEC}, pages = {1759091420981204}, type = {Article}, abstract = {
Alzheimer{\textquoteright}s disease is a neuropathological condition with abnormal accumulation of extracellular Amyloid-beta plaques and intracellular neurofibrillary tangles of Microtubule-associated protein Tau (Tau) in the brain. In pathological conditions, Tau undergoes post-translational modifications such as hyperphosphorylation by the activity of cellular kinases, which eventually leads to protein aggregation in neurons. Melatonin is a neuro-hormone that is mainly secreted from the pineal gland and functions to modulate the cellular kinases. In our study, we have checked the neuroprotective function of Melatonin by MTT and LDH assay, where Melatonin inhibited the Tau aggregates-mediated cytotoxicity and membrane leakage in Neuro2A cells. The potency of Melatonin has also been studied for the quenching of intracellular reactive oxygen species level by DCFDA assay and caspase 3 activity. Melatonin was shown to reduce the GSK3 beta mRNA and subsequent protein level as well as the phospho-Tau level (pThr181 and pThr212-pSer214) in okadaic acid-induced Neuro2A cells, as observed by western blot and immunofluorescence assay. Further, Melatonin has increased the cellular Nrf2 level and its nuclear translocation as an oxidative stress response in Tauopathy. The Melatonin was found to induce pro- and anti-inflammatory cytokines levels in N9 microglia. The mRNA level of cellular kinases such as as-GSK3 beta, MAPK were also studied by qRT-PCR assay in Tau-exposed N9 and Neuro2A cells. The immunomodulatory effect of Melatonin was evident as it induced IL-10 and TGF-beta cytokine levels and activated MAP3K level in Tau-exposed microglia and neurons, respectively. Melatonin also downregulated the mRNA level of pro-inflammatory markers, IL-1 beta and Cyclooxygenase-2 in N9 microglia. Together, these findings suggest that Melatonin remediated the cytokine profile of Tau-exposed microglia, reduced Tau hyperphosphorylation by downregulating GSK3 beta level, and alleviated oxidative stress via Nrf2 nuclear translocation.
}, keywords = {Alzheimer\&\#8217, Anti-inflammatory, GSK3\&\#946, melatonin, microglia, neurodegeneration, Nrf2, s disease, Tau hyperphosphorylation}, issn = {1759-0914}, doi = {10.1177/1759091420981204}, author = {Das, Rashmi and Balmik, Abhishek Ankur and Chinnathambi, Subashchandrabose} } @article {47315, title = {Metagenome sequencing to unveil microbial community composition and prevalence of antibiotic and metal resistance genes in hypersaline and hyperalkaline Lonar Lake, India}, journal = {Ecological Indicators}, volume = {110}, year = {2020}, month = {MAR}, pages = {105827}, type = {Article}, abstract = {
Lonar Lake (India) is a hyperalkaline and hypersaline soda lake encompassing unique microbial composition and functions. This ecosystem has not been explored for taxonomic diversity and functional aspects (with emphasis on antibiotic and metal resistance genes) using whole metagenome sequencing for multiple years. Bacterial diversity analysis during year 2013, 2016, and 2018 depicted differences in the dominance of Proteobacteria, Firmicutes and Bacteroidetes. For archaeal diversity, a similar pattern persisted with higher abundance of Euryarchaeota. Functional metagenome analyses, indicated presence of antibiotic resistance gene (ARG) and metal resistance gene (MRG) profiles in the lake. A wider continuum of resistance genes with dominant ARG types as multidrug resistance efflux pumps and beta-lactams were also observed. The lake resistome demonstrated fluoroquinolone and acriflavine resistance genes indicating sewage water contamination in the lake. The MRGs linked with resistance to toxic metals (arsenic, cobalt, cadmium, copper, and zinc) and cation efflux protein CusA and cobalt-zinc-cadmium resistance protein revealed metal contamination. This study could be a baseline for understanding prevalence of antibiotic and metal resistance mechanisms resulting from various anthropogenic activities nearby lake, and find integrated approaches for conservation of the precious Lonar Lake ecosystem.
}, keywords = {Archaeal diversity, ARGs, Bacterial diversity, Illumina sequencing, Lonar lake, MRGs}, issn = {1470-160X}, doi = {10.1016/j.ecolind.2019.105827}, author = {Chakraborty, Jaya and Sapkale, Vibhavari and Shah, Manan and Rajput, Vinay and Mehetre, Gajanan and Agawane, Sachin and Kamble, Sanjay and Dharne, Mahesh} } @article {46999, title = {Methoxymethyl threofuranosyl thymidine (4 {\textquoteleft}-MOM-TNA-T) at the T7 position of the thrombin-binding aptamer boosts anticoagulation activity, thermal stability, and nuclease resistance}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {JAN }, pages = {498-506}, type = {Article}, abstract = {
The synthesis of 4{\textquoteright}-methoxymethyl threofuranosyl (4{\textquoteright}-MOM-TNA) thymidine and derived oligomers of the G-rich thrombin-binding aptameric (TBA) sequence is reported. The G-quadruplex stability, anticoagulation activity, and the enzymatic stability of these oligomers bearing the 2{\textquoteright}-3{\textquoteright}-phosphodiester backbone as single substitutions in the loop regions are studied. Amongst all the oligomers, TBA-7T bearing the 4{\textquoteright}-MOM-TNA unit at the T7 position formed a quadruplex with the highest thermal stability. It also resulted in enhanced anticlotting activity that allowed a one-third reduction in the dose, relative to TBA. Further, TBA-7T exhibited enhanced nuclease resistance properties to both endo- and exonucleases.
}, issn = {2470-1343}, doi = {10.1021/acsomega.9b03042}, author = {Varada, Manojkumar and Aher, Manisha and Erande, Namrata and Kumar, Vaijayanti A. and Fernandes, Moneesha} } @article {46972, title = {Microstructural differences between Viscose and Lyocell revealed by in-situ studies of wet and dry fibers}, journal = {Cellulose}, volume = {27}, year = {2020}, month = {FEB}, pages = {1195-1206}, type = {Article}, abstract = {
Regenerated cellulose fibers manufactured using Lyocell and Viscose processes exhibit differences in their structural response to mechanical deformation. Here, we study the effect of stretching and stress relaxation on the orientation of crystal and amorphous phases. Our results show that on stretching, orientation in both crystal and amorphous phases increases linearly with strain, correlating with the increase in stress and with the stretching of the crystalline unit cell along the c-axis. On holding after stretching to a particular strain, the stress relaxes logarithmically in time, correlating with a decrease in the strain along the c-axis of the crystal unit cell. The stress relaxation is also correlated with a logarithmic increase in amorphous orientation, while crystalline orientation stays constant. We attribute the stress development during stretching to deformation of the crystal unit cell, while crystal reorientation in the fiber direction results in increase in the crystalline orientation parameter. On holding the fiber at a fixed total strain, the stress relaxes as strain is transferred from crystal to amorphous regions. Thus, the strain on the unit cell c-axis decreases and amorphous orientation increases. There are quantitative differences between the rate of increase in amorphous phase orientation during stress relaxation for Lyocell and Viscose fibers. For dry fibers, Lyocell shows a slower increase in orientation during stress relaxation. On wetting the fibers, their structural response changes qualitatively. We combine wide angle x ray diffraction and birefringence experiments with our model to infer that that on stretching the wet fiber, the crystalline phase is neither strained nor oriented. However, orientation develops in the amorphous phase. During stress relaxation in wet condition, Lyocell fibers shows a faster increase in amorphous orientation than Viscose fibers, in line with the comparison of relaxation time spectra for wet Viscose and Lyocell fibers. Graphic abstract
}, keywords = {birefringence, Crystal-amorphous orientation, In-situ WAXD, Regenerated cellulose}, issn = {0969-0239}, doi = {10.1007/s10570-019-02863-6}, author = {Sharma, Aakash and Thakre, Shirish and Kumaraswamy, Guruswamy} } @article {46918, title = {Microstructure and yielding of capillary force induced gel}, journal = {Rheologica Acta}, volume = {59}, year = {2020}, month = {MAY}, pages = {291-306}, type = {Article}, abstract = {
We have investigated the rheology and structure of a gel formed from a mixture of non-Brownian particles and two immiscible liquids. The suspension of particles in a liquid undergoes gelation upon the addition of a small content of second, wetting liquid which forms liquid bridges between particles leading to a sample spanning network. The rheology of this gel primarily exhibits a yield stress at low shear rates followed by a linear variation of shear stress at high shear rates. The apparent yield stress extracted from the flow curves increases rapidly with volume fraction of the second liquid before saturation, while it exhibits a monotonic increase with increasing particle concentration. Rescaling of the yield stress curves using suitable shift factors results in an empirical expression for the yield stress showing squared dependence on liquid fraction and a rapid increase with particle fraction above a certain value, both combined in a highly non-linear manner. The microstructural variations with changing secondary liquid content and particle fractions are captured using three-dimensional X-ray tomography technique. The microstructure is observed to show increased local compactness with increased liquid content and increased spatial homogeneity with increased particle fractions. The images from X-ray tomography are analysed to obtain the distributions of particle-particle bonds (coordination number) in the system which serve to explain the observed yield stress behaviour in a qualitative manner.
}, keywords = {Capillary force, Flow curve, gel, Microstructure, Rheology, Yield stress}, issn = {0035-4511}, doi = {10.1007/s00397-020-01189-6, Early Access Date = MAR 2020}, author = {Huprikar, Sameer and Usgaonkar, Saurabh and Lele, Ashish K. and Orpe, Ashish V.} } @article {46595, title = {Mixed metal oxide: a new class of catalyst for methanol activation}, journal = {Applied Surface Science}, volume = {534}, year = {2020}, month = {DEC}, pages = {147449}, type = {Article}, abstract = {
In this work, we propose a mixed metal oxide as a catalyst and demonstrate it{\textquoteright}s ability to not only activate the MeOH molecule upon adsorption but also dissociate O-H and one of it{\textquoteright}s C-H bonds. MeOH activation is compared on two prominent facets of ZnAl(2)O(4 )viz. (2 2 0) and (31 1). While spontaneous O-H bond dissociation is observed on both facets, C-H bond dissociates only on the (3 1 1) surface. Multiple factors like atomic arrangement and steps on the surface, coordination of surface atoms, and their effective charges have a combined effect on MeOH activation. The (3 1 1) surface offers higher catalytic activity in comparison with (2 2 0) surface. Having a stepped surface, availability of multiple sites, and variation in the charge distribution are some of the reasons for better catalytic performance of (3 1 1) facet. Effect of orientation of MeOH with respect to the surface adds both, information and complexity to the problem. Observations pertinent to understanding this effect are also reported. A detailed analysis of atomic arrangement on the two surfaces provides a rationale as to why MeOH gets dissociated spontaneously on the mixed metal oxide. The promising results reported here opens up a new class of catalyst for research.
}, keywords = {DFT, MeOH, Spontaneous dissociation, ZnAl2O4}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2020.147449}, author = {Mehta, Shweta and Agarwal, Sheena and Kenge, Nivedita and Mekala, Siva Prasad and Patil, Vipul and Raja, T. and Joshi, Kavita} } @article {46732, title = {Mizoroki-Heck reaction of 1,2-disubstituted aryl alkenes: variables of synthesis, solvent and ligand modulation of reactivity}, journal = {Synthetic Communications}, volume = {50}, year = {2020}, month = {DEC }, pages = {3796-3803}, type = {Article}, abstract = {
Reaction of aryl iodides with 1,2-disubstituted aryl alkenes in the presence of TBABr/TBACl gave high yields of the Mizoroki-Heck product. Phosphine ligands were used for the modulation of reactivity and stereoselectivity, for the reaction of 4-iodoanisole with cinnamaldehyde. tert-Bu3P.HBF(4)gave the highest E:Z ratio of 1:0.08. The use of PEG-200 and PEG-400 as solvent could activate the reaction of aryl iodides with various 1,2-disubstituetd aryl alkenes.
}, keywords = {12-Disubstituted aryl alkenes, 400, ligand effect, Mizoroki-Heck reaction, PEG 200, TBABr}, issn = {0039-7911}, doi = {10.1080/00397911.2020.1811986, Early Access Date = AUG 2020}, author = {Bangar, Pronnoy G. and Jawalkar, Priyanka R. and Dumbre, Swapnil R. and Raut, Pallavi K. and Patil, Dharmaraj J. and Tv, Neethu and Sudhakaran, Shana and Iyer, Suresh} } @article {46818, title = {MnBr2-catalyzed direct and site-selective alkylation of indoles and benzo[h]quinoline}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {JUN}, pages = {4643-4647}, type = {Article}, abstract = {
Manganese-catalyzed regioselective C-H alkylation of indoles and benzo[h]quinoline with a variety of unactivated alkyl iodides is reported. Unlike other Mn-catalyzed C-H functionalization, this protocol does not require a Grignard reagent base and employs a simple and inexpensive MnBr2 as a catalyst. This method tolerates diverse functionalities, including fluoro, chloro, bromo, iodo, alkenyl, alkynyl, pyrrolyl, and carbazolyl groups. The alkylation proceeds through a single-electron transfer pathway comprising reversible C-H manganesation and involving an alkyl radical intermediate.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c01398}, author = {Jagtap, Rahul A. and Verma, Suryadev K. and Punji, Benudhar} } @article {46619, title = {Molecular determinant for specificity: differential interaction of alpha-amylases with their proteinaceous inhibitors}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1864}, year = {2020}, month = {DEC}, pages = {129703}, type = {Review}, abstract = {
Background: alpha-Amylase inhibitors (alpha-AIs) belong to the discrete classes, and exhibited differential specificities against alpha-amylases from various sources. Several alpha-amylases and their complexes with inhibitors at the molecular level have been studied in detail. Interestingly, some alpha-AIs depict specific and selective interactions amid different insect alpha-amylases. Scope of review: There are studies to understand evolutionary variability and functional differentiation of insect alpha-amylases and their cognate inhibitors. We have examined sequence, structural, and interaction diversity between various alpha-amylases and alpha-AIs. Based on these analyses, we are providing a potential basis for the functional differentiation among certain insect a-amylases concerning mammalian counterparts and their interactions with different proteinaceous alpha-AIs. Major conclusions: Insect alpha-amylases have conserved domain architecture with differences in length, number of disulfide bonds, and secondary structure. Furthermore, few of them exhibit variable characteristics like chloride dependent activity, the presence of N-terminal glutamine residue to protect against proteolytic degradation, and loop variations near the enzyme active site. Conformation of alpha-AI protein could be an essential factor for their specificity and binding affinities towards target alpha-amylase(s). Furthermore, variation into the enzyme binding pocket residues might contribute to differential interactions with inhibitors. General significance: Molecular insights in the interactions between insect alpha-amylases and plant alpha-AI will provide the details of mechanisms assisting the inhibitor specificity. Furthermore, this information will help to design potent and effective alpha-AIs against specific alpha-amylase.
}, keywords = {Active site, alpha-amylase, alpha-amylase inhibitor, Insect, molecular interactions}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2020.129703}, author = {Rane, Ashwini S. and Joshi, Rakesh S. and Giri, Ashok P.} } @inbook {47149, title = {Molecular determinants of GPCR oligomerization}, booktitle = {Molecular determinants of GPCR oligomerization}, number = {GPCRs}, year = {2020}, pages = {97-108}, doi = {10.1016/B978-0-12-816228-6.00006-4}, author = {Mohole, Madhura and Kumar, G. Aditya and Sengupta, Durba and Chattopadhyay, Amitabha} } @article {46637, title = {Molecular investigation of coleopteran specific alpha-amylase inhibitors from amaranthaceae members}, journal = {International Journal of Biological Macromolecules}, volume = {163}, year = {2020}, month = {NOV}, pages = {1444-1450}, type = {Article}, abstract = {
alpha-Amylase inhibitors (alpha-AIs) target alpha-amylases and interfere with the carbohydrate digestion of insects. Among different classes of alpha-AIs, a knottin-type inhibitor from Amaranthus hypochondriacus (AhAI) was found to be specific against coleopteran storage pests. In this report, we have characterized three previously unidentified knottin-type alpha-AIs from various Amaranthaceae plants namely, Amaranthus hypochondriacus (AhAI2), Alternanthera sessilis (AsAI) and Chenopodium quinoa (CqAI). They contain a signal peptide, pro-peptide, and mature peptide. The mature peptides of the new alpha-AIs shared 68 to 78\% identity with AhAI and have highly variable pro-peptide regions. Along with the cystine-knot fold, they showed conservation of reactive site residues. All recombinant alpha-AIs were successfully expressed in their active form and native state using an oxidative cytoplasmic environment. Inhibition studies against various amylases revealed that these inhibitors showed selective inhibition of coleopteran recombinant insect alpha-amylases viz., Tribolium castaneum, and Callosobruchus chinensis. Tribolium castaneum alpha-amylase inhibition potency was highest for AhAI2 (Ki similar to 15 mu M) followed by AsAI (Ki similar to 43 mu M) and CqAI (Ki similar to 61 mu M). Interaction analysis of these inhibitors illustrated that the reactive site of inhibitors make several non-covalent interactions with the substrate-binding pocket of coleopteran alpha-amylases. The selectivity of these inhibitors against coleopteran a-amylases highlights their potential in storage grain pest control. (C) 2020 Elsevier B.V. All rights reserved.
}, keywords = {alpha-amylase, alpha-amylase inhibitor, Amaranthaceae, Coleoptera, Knottin-type}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.07.219}, author = {Rane, Ashwini S. and Venkatesh, Varun and Joshi, Rakesh S. and Giri, Ashok P.} } @article {46922, title = {Molecular networking and whole-genome analysis aid discovery of an angucycline that inactivates mTORC1/C2 and induces programmed cell death}, journal = {ACS Chemical Biology}, volume = {15}, year = {2020}, month = {MAR}, pages = {780-788}, type = {Article}, abstract = {
Rediscovery of known compounds and time consumed in identification, especially high molecular weight compounds with complex structure, have let down interest in drug discovery. In this study, whole-genome analysis of microbe and Global Natural Products Social (GNPS) molecular networking helped in initial understanding of possible compounds produced by the microbe. Genome data revealed 10 biosythethic gene clusters that encode for secondary metabolites with anticancer potential. NMR analysis of the pure compound revealed the presence of a four-ringed benz[a]anthracene, thus confirming angucycline; molecular networking further confirmed production of this class of compounds. The type II polyketide synthase gene identified in the microbial genome was matched with the urdamycin duster by BLAST analysis. This information led to ease in identification of urdamycin E and a novel natural derivative, urdamycin V, purified from Streptomyces sp. OA293. Urdamycin E (Urd E) induced apoptosis and autophagy in cancer cell lines. Urd E exerted anticancer action through inactivation of the mTOR complex by preventing phosphorylation at Ser 2448 and Ser 2481 of mTORC1 and mTORC2, respectively. Significant reduction in phosphorylation of the major downstream regulators of both mTORC1 (p70s6k and 4e-bp1) and mTORC2 (Akt) were observed, thus further confirming complete inhibition of the mTOR pathway. Urd E presents itself as a novel mTOR inhibitor that employs a novel mechanism in mTOR pathway inhibition.
}, issn = {1554-8929}, doi = {10.1021/acschembio.0c00026}, author = {Dan, Vipin Mohan and Vinodh, J. S. and Sandesh, C. J. and Sanawar, Rahul and Lekshmi, Asha and Kumar, R. Ajay and Kumar, T. R. Santhosh and Marelli, Uday Kiran and Dastager, Syed G. and Pillai, M. Radhakrishna} } @article {46904, title = {Morphological evolution of two-dimensional porous hexagonal trimesic acid framework}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {APR }, pages = {15588-15594}, type = {Article}, abstract = {
Hexagonal single crystal structure (Form II) of trimesic acid (TMA) has been isolated by dissolving the interpenetrated Form I of TMA in tetrahydrofuran. Form II (hexagonal) was converted to Form I (interpenetrated) at room temperature through some intermediate structures. A detailed time-dependent FESEM study shows that the external morphology of Form II (hexagonal) is a hollow hexagonal tube that mimics its crystal structure. The block-shaped (morphology) of Form I (interpenetrated) was converted to the hollow hexagonal tube through some intermediate morphologies which are corresponding to particular crystal structures. Here, we have established a strong correlation between crystal structures with the morphology. These hollow tubes have been employed for Rhodamine B dye adsorption studies and showed an uptake of 82\%, much more significant than Form I (interpenetrated) (39\%) due to the presence of a pore channel in the crystal structure.
}, keywords = {dye adsorption, hollow hexagonal rod, hydrogen-bonded organic framework, morphology evaluation, trimesic acid}, issn = {1944-8244}, doi = {10.1021/acsami.0c01398}, author = {Tothadi, Srinu and Koner, Kalipada and Dey, Kaushik and Addicoat, Matthew and Banerjee, Rahul} } @article {46618, title = {Morphology and dynamics of self-assembled structures in mixed surfactant systems (SDS plus CAPB) in the context of methane hydrate growth}, journal = {Journal of Molecular Liquids}, volume = {319}, year = {2020}, month = {DEC }, pages = {114296}, type = {Article}, abstract = {
Presence of small dosages of surfactants in the aqueous phase has been reported to enhance the rate of gas hydrate (clathrate) formation. In this work, using extensive atomistic molecular dynamics (MD) simulations, we have investigated how SDS (surfactant) aggregates in the presence/absence of CAPB (co-surfactant) at ambient conditions (temperature 298 K and pressure 1 bar) and at hydrate forming conditions (temperature 275 K and pressure 50 bar) resulting in altered growth kinetics of methane hydrate. We observe that SDS forms aggregates of different sizes and shapes depending on the thermodynamic condition starting from random distributions of the surfactants. In the presence of the CAPB co-surfactant, tightly packed mixed aggregates are formed. Using various structural order parameters, we demonstrate that shape of the aggregates deviates from spherical as well as cylindrical symmetry. During the aggregation process in presence of methane, the methane molecules get absorbed into the aggregates, enhance the aggregation kinetics and provide structural flexibility to the aggregates. This result is partly in agreement with previous experimental observations that SDS (with or without a co-surfactant) may form micelle-like structures under hydrate forming conditions and that methane gets absorbed by these aggregates leading to enhanced solubility of methane in the aqueous phase. Further, we have investigated the dynamics of shape fluctuations of the aggregates and observed that several distinct relaxation timescales exist in these heterogenous systems. (C) 2020 Elsevier B.V. All rights reserved.
}, issn = {0167-7322}, doi = {10.1016/j.molliq.2020.114296}, author = {Hande, Vrushali and Choudhary, Nilesh and Chakrabarty, Suman and Kumar, Rajnish} } @article {46659, title = {NADP-dependent glutamate dehydrogenases in a dimorphic zygomycete Benjaminiella poitrasii: purification, characterization and their evaluation as an antifungal drug target}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1864}, year = {2020}, month = {NOV}, pages = {129696}, type = {Article}, abstract = {
Background: It has been reported that the genes coding for NADP-dependent glutamate dehydrogenases (NADP-GDHs) showed a cause-effect relationship with Yeast-Hypha (Y-H) reversible transition in a zygomycete Benjaminiella poitrasii. As Y-H transition is significant in human pathogenic fungi for their survival and proliferation in the host, the NADP-GDHs can be explored as antifungal drug targets. Methods: The yeast-form specific BpNADPGDH I and hyphal-form specific BpNADPGDH II of B. poitrasii were purified by heterologous expression in E. coll. BL-21 cells and characterized. The structural analogs of L-glutamate, dimethyl esters of isophthalic acid (DMIP) and its derivatives were designed, synthesized and screened for inhibition of NADP-GDH activity as well as Y-H transition in B. poitrasii, and also in human pathogenic Candida albicans strains. Results: The BpNADPGDH I and BpNADPGDH II were found to be homo-hexameric proteins with native molecular mass of 282 kDa and 298 kDa, respectively and subunit molecular weights of 47 kDa and 49 kDa, respectively. Besides the distinct kinetic properties, BpNADPGDH I and BpNADPGDH II were found to be regulated by cAMP-dependent- and Calmodulin (CaM) dependent- protein kinases, respectively. The DMIP compounds showed a more pronounced effect on H-form specific BpNADPGDH II and inhibited Y-H transition as well as growth in B. poitrasii and C. albicans strains. Conclusion: The present study will be useful to design and develop antifungal drugs against dimorphic human pathogens using glutamate dehydrogenase as a target. Significance: Glutamate dehydrogenases can be explored as a target against human pathogenic fungi.
}, keywords = {Antifungal compound, Benjaminiella poitrasii, Candida albicans, Dimethyl esters and amides of isophthalic acid, dimorphism, Enzyme inhibition, NADP-glutamate dehydrogenases}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2020.129696}, author = {Pathan, Ejaj K. and Kulkarni, Anand M. and Prasanna, Nallaballe V. L. and Ramana, V, Chepuri and Deshpande, V, Mukund} } @article {46898, title = {Nafion lonomer-based single component electrolytes for aqueous Zn/MnO2 batteries with long cycle life}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {APR }, pages = {5040-5049}, type = {Article}, abstract = {
Recently, aqueous rechargeable Zn/MnO2 batteries are emerging as promising energy storage aids owing to their improved safety, low cost of fabrication, and high energy density. However, the rapid decay of capacity during extended charge- discharge cycles hinders the prospect of this technology beyond lab-scale. In the conventional Zn/MnO2 cell, additives such as Mn2+ have been used to tackle the stability issue. Here, we demonstrate that cycling performance of the Zn/MnO2 cell can be improved substantially by using Nafion ionomer as the separator in combination with zinc-ion conducting electrolytes. The Nafion ionomer-based Zn/MnO2 cells do not require any Mn{\textquoteright} additive in the electrolyte and hence termed as {\textquoteleft}{\textquoteleft}single component{\textquoteright}{\textquoteright} electrolytes. The postmortem study of the post-cycled electrodes reveals that the structural evolution of both the anode and cathode in various electrolytes (1 M Zn(CF3SO3)(2), 1 M ZnSO4 center dot 7H(2)O, and 3 M ZnSO4 center dot 7H(2)O) during prolonged cycling significantly influences the cycle life of the respective cells. Optimizing the Nafion ionomer membrane with a suitable electrolyte could render the desired combination of high capacity and high cycle life for a Zn/MnO2 cell.
}, keywords = {aqueous Zn-ion batteries, Cycling stability, dendrite suppression, Electrodeposition, MnO2, Nafion ionomer separator, single component electrolyte}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.9b06798}, author = {Ghosh, Meena and Vijayakumar, Vidyanand and Anothumakkool, Bihag and Kurungot, Sreekumar} } @article {46868, title = {Naftopidil molecular salts with improved dissolution and permeation}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {MAY }, pages = {3064-3076}, type = {Article}, abstract = {
Naftopidil (NFPD) is a alpha 1 adrenoceptor antagonist drug. Low solubility and low permeability are the major drawbacks of this drug. The synthesis of multicomponent crystalline forms of this amine functional group drug with carboxylic acid coformers, both achiral and chiral acids, provides a solution to improve its solubility as well as permeability. Nine molecular salts were crystallized by liquid-assisted grinding followed by isothermal crystallization. Single-crystal X-ray diffraction analysis of the molecular salts showed that the structures are stabilized by strong N-H center dot center dot center dot O and O-H center dot center dot center dot O and weak C-H center dot center dot center dot O hydrogen bonds in the solid state. The bulk phase purity of new solid forms was confirmed by powder X-ray diffraction (PXRD), and the crystalline products were further characterized by IR spectroscopy and thermal analytical techniques (differential scanning calorimetry). The molecular salts exhibit superior dissolution rates compared to pure NFPD. However, during dissolution, NFPD showed decrease in concentration after 60 min for all salts due to precipitation. The supersaturation occurred due to salt disproportionation, which generates insoluble NFPD, as confirmed by PXRD of the residue. The salts reach high saturation concentration before 60 min, which is indicative of immediate release formulation to achieve fast onset of therapeutic activity. Moreover, the salts exhibit high saturation in phosphate buffer saline media and improved permeability compared to the pure drug. Finally, the D,L-malic acid racemate of NFPD shows enhanced dissolution and permeability compared to all other salts and pure NFPD.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01689}, author = {Mannava, M. K. Chaitanya and Dandela, Rambabu and Tothadi, Srinu and Solomon, K. Anand and Nangia, Ashwini K.} } @article {46789, title = {Nanocellulose reinforced flexible composite nanogenerators with enhanced vibrational energy harvesting and sensing properties}, volume = {2}, year = {2020}, month = {JUL}, pages = {2550-2562}, type = {Article}, abstract = {
We report here enhanced vibration and pressure sensing properties of nanocellulose reinforced flexible composite piezoelectric nanogenerators (PENGs). Surface fluorinated nanocellulose crystals (FNC) were incorporated into poly(vinylidene fluoride) (PVDF) and electrospun into composite nanofibers. Incorporation of only 2 wt \% FNC in PVDF resulted in a significant enhancement in pressure sensitivity with a very low detectable pressure limit of 10 Pa and a sensitivity of up to 18 mV/kPa. The composite PENGs also demonstrated very high sensitivity for forced continuous vibrations. 2FNC/PVDF composites resulted in an order of magnitude higher voltage response over neat PVDF for a given strain. When PENGs were mounted on a vacuum pump for transduction of mechanical vibrations into electrical energy, 2FNC/PVDF composite devices manifested similar to 3.8 times enhanced voltage output over neat PVDF and faster charging of a capacitor. The enhanced piezoelectric properties of PVDF/FNC nanocomposites could be attributed to the tailored interface between PVDF and nanocellulose and enhanced polarizability.
}, keywords = {Composite, Nanofiber, piezoelectric, pressure, Sensor, vibration}, issn = {2637-6105}, doi = {10.1021/acsapm.0c00158}, author = {Ram, Farsa and Gudadhe, Aniket and Vijayakanth, Thangavel and Aherrao, Swapnil and Borkar, Vivek and Boomishankar, Ramamoorthy and Shanmuganathan, Kadhiravan} } @article {46655, title = {Nanocomposite of functional silver metal containing curcumin biomolecule model systems: Protein BSA bioavailability}, journal = {Journal of Inorganic Biochemistry}, volume = {212}, year = {2020}, month = {NOV}, pages = {111210}, type = {Article}, abstract = {
Curcumin, a constituent of Curcuma longa L-Zingiberaceae is used in traditional Indian and worldwide medicine and shows anticancer and antioxidant properties. Curcumin has numerous biological and pharmacological ac-tivities but due to its hydrophobic nature, the major drawback is poor absorption and rapid elimination, rendering curcumin with the tag of a poor biomaterial. Hence, there is a need to develop functional metal containing curcumin model systems (FMCCMS) as a metallo-biomolecule to enhance the bioavailability of curcumin. We designed the interaction of silver metal ion with curcumin to form curcumin-silver nanocomposite (CURC-AgNCP) via ultrasonic synthetic route. Formations of FMCCMS were characterized by spectroscopic techniques. The crystalline face-centered cubic pattern and particle size of the nanocomposite was evaluated using X-ray diffraction and high-resolution transmission electron microscopy. The bonding of silver metal to curcumin was confirmed by X-ray photon spectroscopy. Interaction of the nanocomposite with bovine serum albumin (BSA) protein was performed using excitation, emission, and circular dichroism spectroscopy. In binding interaction of BSA, the negative value of Delta S degrees (-358.04 J mol(-1) K-1) and Delta H degrees (-129.42 KJ mol(-1)) demonstrates the hydrophilic nature of the nanocomposite. The binding distance r evaluated according to the Forster resonance energy transfer theory and was 4.69 nm for CURC-AgNCP, which suggested non-radiative transfer of energy between CURC-AgNCP and BSA. The role of FMCCMS metallo-biomolecule CURC-AgNCP in medicine for cancer activity can have immense importance and hence we performed Sulphorhodamine B based in-vitro cytotoxicity assay on human breast cancer Michigan Cancer Foundation-7 cell line.
}, keywords = {Ag-based CURC biomaterials, Breast cancer, Metal in medicine, Metallobiomolecules, Nanocomposite}, issn = {0162-0134}, doi = {10.1016/j.jinorgbio.2020.111210}, author = {Shedge, Amol A. and Pansare, Shubham V. and Khairkar, Shyam R. and Chhatre, Shraddha Y. and Chakrabarti, S. and Nagarkar, Amit A. and Pansare, Amol V. and Patil, Vishwanath R.} } @article {46802, title = {Nanocrystalline Ag3PO4 for sunlight- and ambient air-driven oxidation of amines: high photocatalytic efficiency and a facile catalyst regeneration strategy}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {JUL}, pages = {29324-29334}, type = {Article}, abstract = {
Selective oxidation of amines to imines using sunlight as clean and renewable energy source is an important but challenging chemical transformation because of high reactivity of the generated imines and lack of visible light-responsive materials with high conversion rates. In addition, oxygen gas has to be purged in the reaction mixture in order to increase the reaction efficiency which, in itself, is an energy-consuming process. Herein, we report, for the first time, the use of Ag3PO4 as an excellent photocatalyst for the oxidative coupling of benzyl amines induced by ambient air in the absence of any external source of molecular oxygen at room temperature. The conversion efficiency for the selective oxidation of benzyl amine was found to be greater than 95\% with a selectivity of \>99\% after 40 min of light irradiation indicating an exceptionally high conversion efficiency with a rate constant of 0.002 min(-1), a turnover frequency of 57 h(-1), and a quantum yield of 19\%, considering all of the absorbed photons. Ag3PO4, however, is known for its poor photostability owing to a positive conduction band position and a favorable reduction potential to metallic silver. Therefore, we further employed a simple catalyst regeneration strategy and showed that the catalyst can be recycled with negligible loss of activity and selectivity.
}, keywords = {amine oxidation, energy harvesting, nanocrystalline Ag3PO4, Photocatalysis, regeneration strategy}, issn = {1944-8244}, doi = {10.1021/acsami.0c05961}, author = {Garg, Reeya and Mondal, Sanjit and Sahoo, Lipipuspa and Vinod, C. P. and Gautam, Ujjal K.} } @article {47158, title = {Nanoparticle size-fractionation through self-standing porous covalent organic framework films}, journal = {Angewandte Chemie-International Edition}, volume = {59}, year = {2020}, month = {JAN}, pages = {1161-1165}, type = {Article}, abstract = {
Covalent organic frameworks (COFs) have attracted attention due to their ordered pores leading to important industrial applications like storage and separation. Combined with their modular synthesis and pore engineering, COFs could become ideal candidates for nanoseparations. However, the fabrication of these microcrystalline powders as continuous, crack-free, robust films remains a challenge. Herein, we report a simple, slow annealing strategy to construct centimeter-scale COF films (Tp-Azo and Tp-TTA) with micrometer thickness. The as-synthesized films are porous (SA(BET)=2033 m(2) g(-1) for Tp-Azo) and chemically stable. These COFs have distinct size cut-offs (ca. 2.7 and ca. 1.6 nm for Tp-Azo and Tp-TTA, respectively), which allow the size-selective separation of gold nanoparticles. Unlike, other conventional membranes, the durable structure of the COF films allow for excellent recyclability (up to 4 consecutive cycles) and easy recovery of the gold nanoparticles from the solution.
}, keywords = {covalent organic frameworks, films, nanofilter, Nanoparticles, size-selective separation}, issn = {1433-7851}, doi = {10.1002/anie.201912381, Early Access Date = DEC 2019}, author = {Dey, Kaushik and Kunjattu, Shebeeb H. and Chahande, Anurag M. and Banerjee, Rahul} } @article {47318, title = {Nanoporous covalent organic framework embedded with Fe/Fe3O4 nanoparticles as air-stable low-density nanomagnets}, journal = {ACS Applied Nano Materials}, volume = {3}, year = {2020}, month = {SEP }, pages = {9088-9096}, type = {Article}, abstract = {
Covalent organic frameworks (COFs) made of light atoms such as H, C, N, and O with a significant void-to-framework ratio are excellent low-density supports for nanoparticles (nPs). Their framework can be precoded with heteroatoms to ensure binding with metallic nanoclusters. With these advantages, if controlled amounts of magnetic nPs are anchored to them, they can yield low-density organic-inorganic nanomagnets. Their organic nature facilitates fusion with bulk materials such as paper/textile to enable bulk composites with well-dispersed low-density magnets, which have potential for defense and next-generation aviation applications. Herein, we have grown small Fe/Fe3O4 nPs (5-18 wt \%) inside a COF. Interestingly, 300 mg of this organic-inorganic framework material (containing 50 mg of nPs) can lift a vial of similar to 15,000 mg (300 times heavier). Also, the hydrophobic COF wraps around the Fe/Fe3O4 nanocluster retaining its room-temperature magnetic character even after 1 year, while the naked nPs lose it within a few days because of air oxidation. Bulk composites with paper and polymers have been made using this low-density Fe-COF to demonstrate their processability.
}, keywords = {air-stable nanomagnets, Covalent organic framework, Fe/Fe3O4 nanoparticles, low-density nanomagnets, magnetic rayon, nanoporous COF}, issn = {2574-0970}, doi = {10.1021/acsanm.0c01762}, author = {Kushwaha, Rinku and Kaleeswaran, Dhananjayan and Haldar, Sattwick and Chakraborty, Debanjan and Mullangi, Dinesh and Borah, Aditya and Vinod, Chathakudath P. and Murugavel, Ramaswamy and Vaidhyanathan, Ramanathan} } @article {46915, title = {Nanoporous reduced graphene oxide and polymer composites as efficient counter electrodes in dye-sensitized solar cells}, journal = {ACS Applied Electronic Materials}, volume = {2}, year = {2020}, month = {MAR}, pages = {626-634}, type = {Article}, abstract = {
The introduction of an efficient and precious platinum (Pt) free counter electrode (CE) for dye-sensitized solar cells (DSSCs) is an important aspect to address. In this report, we have employed nanoporous reduced graphene oxide (PG) containing PEDOT:PSS-PG composite on FTO substrate as CEs, which have shown excellent diffusion of I-3(-), remarkable photocatalytic activity, and better device performance along with desired stability. The investigated cathode material has been prepared by mixing PGs and highly conducting PEDOT:PSS. Experimental measurements and analyses such as electrochemical impedance spectroscopy (EIS), cyclic voltammetry (CV), and so on indicate that PEDOT:PSS-PG is a promising cathode material for a Pt-free CE in DSSCs. EIS indicates that the PEDOT:PSS-PGs have lower interfacial charge-transfer resistance because of their high electrical conductivity and superior electrocatalytic activity. The achieved photoconversion efficiency (eta) of a DSSC employing the Pt-free PEDOT:PSS-PG/FTO CE is 9.57\%, which is found to be comparable to that of Pt/FTO CE based DSSC (9.64\%) under a simulated solar light illumination of 100 mW/cm(2).
}, keywords = {counter electrode, Dye-sensitized solar cells, electrocatalytic activity, PEDOT:PSS, Reduced graphene oxide}, issn = {2637-6113}, doi = {10.1021/acsaelm.9b00593}, author = {Sudhakar, Vediappan and Singh, Anup Kumar and Chini, Mrinmoy Kumar} } @inbook {47306, title = {Nanorobots for in vivo monitoring: the future of nano-implantable devices}, booktitle = {Nanobiomaterial Engineering }, year = {2020}, pages = {227-252}, publisher = {Springer}, organization = {Springer}, abstract = {
Innovation is important for the healthcare system advancement, in order to continue delivering the high-quality care at an affordable cost to the society. It can be achieved by nonconventional thinking, tapping into creative minds, and extensive collaborative work to make better use of existing facilities and designing new technologies. Nanorobotics is such an innovation that can revolutionize the current face of medicine and biomedical sciences with their state-of-the-art technology. Improved outcomes of nanorobots-based treatments for diabetes, drug delivery for pancreatic and ovarian cancer, and laparoscopic treatment of skin cancer have already been reported. This book chapter will cover the recent advancements of this emerging field with their biomedical applications.
}, doi = {10.1007/978-981-32-9840-8_12}, author = {Gandhi, Mamta and Nigam, Preeti} } @article {46784, title = {Nanoscale interplay of membrane composition and amyloid self-assembly}, journal = {Journal of Physical Chemistry B}, volume = {124}, year = {2020}, month = {JUL}, pages = {5837-5846}, type = {Article}, abstract = {
Cell membranes are complex assemblies of lipids and proteins exhibiting lipid compositional heterogeneity between the inner and outer leaflets of the bilayer. Aberrant protein aggregation, implicated in a number of neurodegenerative diseases including Alzheimer{\textquoteright}s, is known to result in both extracellular and intracellular deposits with divergent pathophysiological effects. Mounting evidence substantiates membrane-mediated amyloid effects and indicates membrane composition, particularly gangliosides, as a plausible factor influencing the fibrillation process. By employing exhaustive molecular dynamics simulations using a coarse-grained model, we probed the assembly behavior of amyloidogenic A beta(12-28) peptides on the chemically heterogeneous extracellular (outer) and cytosolic (inner) leaflets of a mammalian plasma membrane. Our results indicate that the compositional nature of the membrane has a crucial impact on the peptide self-assembly. Peptide oligomerization is hindered on the outer leaflet relative to the inner leaflet due to a competition between interpeptide and peptide-membrane interactions, resulting in higher population of smaller oligomers. The weaker associations among peptides on the outer membrane can be attributed to the favorable interactions of the peptides with gangliosides (GM) that characterize the extracellular membrane. At a higher peptide:GM ratio, we observe enhanced nanoclustering of GM lipids mediated by preferential GM-A beta binding. Interaction between peptide and GM further impacts local membrane curvature; there is a concomitant loss in membrane concavity due to looser GM packing. Our simulations provide molecular insights into the role of membrane composition on A beta aggregation and lend credence to earlier reports of ganglioside-mediated A beta aggregation in the outer membrane. We also demonstrate the effects of local peptide assemblies on the membrane structure and dynamics.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c03796}, author = {Menon, Sneha and Sengupta, Neelanjana and Das, Payel} } @article {46600, title = {Negative ion resonance states: the fock-space coupled-cluster way}, journal = {Journal of Physical Chemistry A}, volume = {124}, year = {2020}, month = {DEC}, pages = {10407-10421}, type = {Article}, abstract = {
The negative ion resonance states, which are electron-molecule metastable compound states, play the most important role in free-electron controlled molecular reactions and low-energy free-electron-induced DNA damage. Their electronic structure is often only poorly described but crucial to an understanding of their reaction dynamics. One of the most important challenges to current electronic structure theory is the computation of negative ion resonance states. As a major step forward, coupled-cluster theories, which are well-known for their ability to produce the best approximate bound state electronic eigen solutions, are upgraded to offer the most accurate and effective approximations for negative ion resonance states. The existing Fock-space coupled-cluster (FSCC) and the equation-of-motion coupled-cluster (EOM-CC) approaches that compute bound states are redesigned for the direct and simultaneous determination of both the kinetic energy of the free electron at which the electron-molecule compound states are resonantly formed and the corresponding autodetachment decay rate of the electron from the metastable compound state. This Feature Article reviews the computation of negative ion resonances using the FSCC approach and, in passing, provides the highlights of the equivalent EOM-CC approach.
}, issn = {1089-5639}, doi = {10.1021/acs.jpca.0c09148}, author = {Basumallick, Suhita and Sajeev, Y. and Pal, Sourav and Vaval, Nayana} } @article {46668, title = {NetConfer: a web application for comparative analysis of multiple biological networks (vol 18, 53, 2020)}, journal = {BMC Biology}, volume = {18}, year = {2020}, month = {OCT}, pages = {147}, type = {Correction}, abstract = {
An amendment to this paper has been published and can be accessed via the original article.
}, doi = {10.1186/s12915-020-00898-x}, author = {Nagpal, Sunil and Das Baksi, Krishanu and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {46852, title = {NetConfer: a web application for comparative analysis of multiple biological networks}, journal = {BMC Biology}, volume = {18}, year = {2020}, month = {MAY}, pages = {53}, type = {Article}, abstract = {
Background Most biological experiments are inherently designed to compare changes or transitions of state between conditions of interest. The advancements in data intensive research have in particular elevated the need for resources and tools enabling comparative analysis of biological data. The complexity of biological systems and the interactions of their various components, such as genes, proteins, taxa, and metabolites, have been inferred, represented, and visualized via graph theory-based networks. Comparisons of multiple networks can help in identifying variations across different biological systems, thereby providing additional insights. However, while a number of online and stand-alone tools exist for generating, analyzing, and visualizing individual biological networks, the utility to batch process and comprehensively compare multiple networks is limited. Results Here, we present a graphical user interface (GUI)-based web application which implements multiple network comparison methodologies and presents them in the form of organized analysis workflows. Dedicated comparative visualization modules are provided to the end-users for obtaining easy to comprehend, insightful, and meaningful comparisons of various biological networks. We demonstrate the utility and power of our tool using publicly available microbial and gene expression data. Conclusion NetConfer tool is developed keeping in mind the requirements of researchers working in the field of biological data analysis with limited programming expertise. It is also expected to be useful for advanced users from biological as well as other domains (working with association networks), benefiting from provided ready-made workflows, as they allow to focus directly on the results without worrying about the implementation. While the web version allows using this application without installation and dependency requirements, a stand-alone version has also been supplemented to accommodate the offline requirement of processing large networks.
}, keywords = {Bioinformatics, biological networks, Interaction networks, Network comparison, visualization}, doi = {10.1186/s12915-020-00781-9}, author = {Nagpal, Sunil and Baksi, Krishanu Das and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {46803, title = {New TBAF complex, highly stable, facile and selective source for nucleophilic fluorination: applications in batch and flow chemistry}, journal = {Asian Journal of Organic Chemistry}, volume = {9}, year = {2020}, month = {JUL}, pages = {1022-1026}, type = {Article}, abstract = {
Natural polysaccharides supported tetrabutylammonium fluoride (TBAF) complexes are prepared and found to be highly stable and selective fluoride source for well-renowned nucleophilic (SN2 type) fluorination reactions for the first time. Bacterial cellulose, plant cellulose, pectin, and starch derived TBAF complexes are synthesized, characterized (using SEM, TEM, and NMR techniques) and studied for their stability and reactivity. Heterogeneous bacterial cellulose-TBAF complex (NBu4(Bac-cell-OH)F) 1 was found to be highly stable and non-hygroscopic among all complexes, which gave high yields of fluorinated products in multi-gram scale in shorter reaction time. The primarily developed batch protocol was extended to solid-solid continuous flow reaction using an in-house built screw reactor, which furnished products in a few seconds of residence time (tR=20-25 sec) and excellent yields.
}, keywords = {Flow synthesis, fluorination, green chemistry, Sustainable Chemistry}, issn = {2193-5807}, doi = {10.1002/ajoc.202000235}, author = {Said, Madhukar S. and Khonde, Nilesh S. and Thorat, Meghana N. and Atapalkar, Ranjit S. and Kulkarni, Amol A. and Gajbhiye, Jayant and Dastager, Syed G.} } @article {46899, title = {N-heterocyclic carbene catalysis exploiting oxidative imine umpolung for the generation of imidoyl azoliums}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {APR }, pages = {5114-5121}, type = {Article}, abstract = {
Although NHC-catalyzed umpolung of imines are known, the related reactions under oxidative conditions are limited. Described herein is the two-step process involving the initial formation of aldimines from the corresponding aldehydes and 2-amino benzyl alcohols followed by NHC-catalyzed cyclization proceeding via the imidoyl azoliums under oxidative conditions. The reaction allowed the synthesis of trifluoromethylated 3,1-benzoxazines in good yields and broad scope. The role of NHC in the intramolecular cyclization and preliminary mechanistic experiments are also provided.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c00360}, author = {Das, Tamal Kanti and Madica, Krishnaprasad and Krishnan, Jagadeesh and Marelli, Udaya Kiran and Biju, Akkattu T.} } @article {47144, title = {N-heterocyclic carbene (NHC)-catalyzed transformations for the synthesis of heterocycles}, journal = {Progress in Heterocyclic Chemistry}, volume = {31}, year = {2020}, month = {JAN}, pages = {1-82}, type = {Book Chapter}, abstract = {
N-heterocyclic carbene (NHC)-based organocatalysis has been widely used for unconventional access to various target molecules. The use of chiral NHCs in the process results in the enantioselective synthesis of various heterocycles. The underlying principle of many of the NHC-catalyzed reactions is the remarkable ability of NHCs to reverse the normal mode of reactivity of aldehydes (umpolung). NHCs can catalyze transformations proceeding via the umpolung or nonumpolung mode for the synthesis of various functionalized molecules. The recent advances in the application of NHCs for the synthesis of various heterocyclic compounds are highlighted in this chapter.
}, keywords = {aldehyde umpolung, Aldimine umpolung, benzoin reaction, Breslow intermediates, Enantioselective synthesis, Heterocyclic synthesis, N-Heterocyclic carbene, Stetter reaction}, doi = {10.1016/B978-0-12-819962-6.00001-4}, author = {Das, Tamal Kanti and Biju, Akkattu T.} } @article {46903, title = {NiFe layered double hydroxide-decorated N-doped entangled-graphene framework: a robust water oxidation electrocatalyst}, journal = {Nanoscale Advances}, volume = {2}, year = {2020}, month = {APR }, pages = {1709-1717}, type = {Article}, abstract = {
Three dimensional (3D) porous carbon materials are highly desirable for electrochemical applications owing to their high surface area and porosity. Uniformly distributed porosity in the 3D architecture of carbon support materials allows reactant molecules to access more electrochemically active centres and simultaneously facilitate removal of the product formed during electrochemical reactions. Herein, we have prepared a nitrogen-doped entangled graphene framework (NEGF), decorated with NiFe-LDH nanostructures by an in situ solvothermal method followed by freeze-drying at high vacuum pressure and low temperature. The freeze-drying method helped to prevent the restacking of the graphene sheets and the formation of a high surface area nitrogen-doped entangled graphene framework (NEGF) supported NiFe-LDHs. The incorporation of the NEGF has significantly reduced the overpotential for the electrochemical oxygen evolution reaction (OER) in 1 M KOH solution. This corresponds to an overpotential reduction from 340 mV for NiFe-LDHs to 290 mV for NiFe-LDH/NEGF to reach the benchmark current density of 10 mA cm(-2). The preparation of the catalyst is conceived through a low-temperature scalable process.
}, issn = {2516-0230}, doi = {10.1039/c9na00808j}, author = {Manna, Narugopal and Ayasha, Nadeema and Singh, Santosh K. and Kurungot, Sreekumar} } @article {46751, title = {Nonenzymatic glucose detection in human serum using Ni nanoparticles decorated reduced graphene oxide}, journal = {Science of Advanced Materials}, volume = {12}, year = {2020}, month = {AUG}, pages = {1125-1136}, type = {Article}, abstract = {
Reduced Graphene oxide (RGO) decorated with Ni nanoparticles (NiNPs) composites, have been successfully synthesized using a simple hydrothermal method and possessing excellent electrocatalytic activity towards glucose oxidation. The morphological and structural features of RGO-Ni nanocomposites were characterized by field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS) and energy dispersive spectroscopy (EDS). From TEM, we observed that NiNPs were anchored on RGO sheets. Cyclic Voltammetric (CV) study revealed that the electrocatalytic activity of RGO-Ni nanocomposite with 20\% Ni loading (RGONi-20) towards glucose oxidation is better than that shown by bare Glassy Carbon Electrode (GCE), RGO, bare NiNPs, RGONi10 and RGONi-30. The prepared nanocomposites exhibited fast electrocatalytic response (\<5 s) towards glucose oxidation. Amperometric study indicates that the present glucose sensor have exhibited excellent performance by offering a lowest detection limit as 5.1 mu M, with linier range from 2 to 5000 mu M and high sensitivity of 896.67 mu A mM(-1) cm(-2). Interference from different anticipatable electroactive substances such as ascorbic acid (AA), uric acid (UA) and dopamine (DA) is not observed. Furthermore, the application of the as prepared sensor was successfully demonstrated for the detection of glucose in human serum and results were comparable to presently used nonenzymatic technique. RGONi-20 nanocomposite electrode holds great promise for the development of biosensors and other electrochemical devices.
}, keywords = {Electrochemical, Glucose Sensor, Graphene-Nickel Nanoparticles, hydrothermal, Nanocomposite, Nonenzymatic}, issn = {1947-2935}, doi = {10.1166/sam.2020.3776}, author = {Waichal, Rupali and Bhirud, Ashwini and Fouad, H. and Gosavi, Suresh and Ashokkumar, Muthupandian} } @article {46894, title = {Novel cilengitide-based cyclic RGD peptides as alpha nu beta(3) integrin inhibitors}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {30}, year = {2020}, month = {APR}, pages = {127039}, type = {Article}, abstract = {
In this letter, we report a series of five new RGD-containing cyclic peptides as potent inhibitors to alpha nu beta(3) integrin protein. We have incorporated various unnatural lipophilic amino acids into the cyclic RGD framework of cilengitide, which is selective for alpha nu beta(3) integrin. All the newly synthesized cyclic peptides were evaluated in vitro solid phase binding assay and investigated for their binding behaviour towards integrin subtypes. All the cyclic peptides were synthesized in excellent yield following solution-phase coupling strategy. The cyclic RGD peptides 1a-e exhibited IC50 of 9.9, 5.5, 72, 11 and 3.3 nM, respectively, towards a alpha nu beta(3) integrin protein. This finding offers further opportunities for the introduction unusual amino acids into the cyclic peptide framework of cilengitide.
}, keywords = {Anticancer drugs, Cilengitide, Integrins, RGD cyclicpeptides}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127039}, author = {Meena, Chhuttan L. and Singh, Dharmendra and Weinmueller, Michael and Reichart, Florian and Dangi, Abha and Marelli, Udaya Kiran and Zahler, Stefan and Sanjayan, Gangadhar J.} } @article {46709, title = {Novel flow reactor for handling suspensions: hydrodynamics and performance evaluation}, journal = {Industrial \& Engineering Chemistry Research}, volume = {59}, year = {2020}, month = {SEP }, pages = {16462-16472}, type = {Article}, abstract = {
A novel reactor concept that can handle solid particles without any moving components in the reactor is proposed and demonstrated in this work. The proposed reactor is designed by arranging the unique shape cavities in a sequence where inlet and outlets are positioned off-center to each other at specific angles and distance. Detailed flow simulation suggested that cavities with diameter D, having aspect ratio H/D similar to 1.53, outlet (having a diameter of 0.2D) positioned at 0.3D from the center and at 180 degrees with reference to the inlet is suitable for the expected performance. The proposed geometry of the reactor with the optimal geometrical configuration was fabricated and hydrodynamics (viz. pressure drop, mass transfer, and heat transfer, and residence time distribution) were studied. The reactor also offered high mass transfer coefficients and is useful for liquid-liquid reactions and extraction. A variety of solid suspensions (glass particles, activated carbon, starch particles, magnesium hydroxide) were tested over a wide range of flow rates for checking the solid handling capability of the reactor. The neutralization reaction of NaOH (with dissolved a-naphthol) with concentrated HCl that results in almost instantaneous precipitation of a-naphthol from the solution is used as a test reaction for a range of a-naphthol concentrations to change the suspension loading. It is shown that the proposed reactor can handle up to 22\% (w/v) solid concentration without any clogging for a longer duration of the operation. However, for sticky solid particles, the same reactor would get clogged at the outlet ports for smaller diameters.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b06864}, author = {Sharma, Mrityunjay K. and Suru, Aditya and Joshi, Anuj and Kulkarni, Amol A.} } @article {46948, title = {Novel hybrid cavitation process for enhancing and altering rate of disinfection by use of natural oils derived from plants}, journal = {Ultrasonics Sonochemistry}, volume = {61}, year = {2020}, month = {MAR}, pages = {104820}, type = {Article}, abstract = {
The present study is an attempt to improvise the hydrodynamic cavitation methodology for effective disinfection of water and also to suggest prototype development for practical application. The enhancement in the disinfection efficiency was evaluated specifically for the effect of pressure, temperature, pH, microbial inoculum size and also on effect of different additives for the two model microbial strains, gram-negative (Escherichia coli) and gram-positive (Staphylococcus aureus). The efficacy of the hydrodynamic cavitation is evaluated for the two types of flows/cavitation devices - linear flow in the case of orifice and vortex flow for vortex diode. The vortex diode requires significantly lower pressures, 50\% lower as compared to orifice for the similar extent of disinfection. While the bacterial disinfection at high temperature is known, the usefulness of hydrodynamic cavitation is especially evident at ambient conditions and the process is effective even at very high concentrations of bacteria, not reported so far. The reactor geometry also has significant effect on the disinfection. The present study, for the first time, reports possible use of different natural oils such as castor oil, cinnamon oil, eucalyptus oil and clove oil in conjunction with hydrodynamic cavitation. The nature of oil modifies the cavitation behavior and an order of magnitude enhancement in the cavitation rate was observed for the two oils, eucalyptus and clove oil for a very small concentration of 0.1\%. The increased rates of disinfection, of the order of 2-4 folds, using oil can drastically reduce the time of operation and consequently reduce cost of disinfection. A possible mechanism is proposed for the effect of oil and hydrodynamic cavitation in cell destruction through the rupture of cell wall, oxidative damage and possible DNA denaturation. A cavitation model using per pass disinfection was used to correlate the data. The increased efficiency using oils and possible benefits of the developed process, where natural oils can be perceived as biocatalysts, can have significant advantages in practical applications.
}, keywords = {Antimicrobial, Cavitation, Disinfection, Oil, Wastewater treatment}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2019.104820}, author = {Mane, Maya B. and Bhandari, Vinay M. and Balapure, Kshama and Ranade, Vivek V.} } @article {46974, title = {Novel pharmaceutical cocrystals and salts of bumetanide}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {FEB}, pages = {793-803}, type = {Article}, abstract = {
New crystalline forms of bumetanide, namely, four cocrystals, two salts, and one salt-cocrystal were crystallized. Urea and lactams such as valerolactam, caprolactam, and N-methyl caprolactam formed cocrystals with bumetanide, whereas 4-aminopyridine gave a salt. Piperazine afforded a salt hydrate, and 5-fluorocytosine gave a salt-cocrystal. The supramolecular synthons in bumetanide-lactam cocrystals are an amide dimer between drug and coformer, and acid homo dimer between bumetanide molecules. In bumetanide salts, the acid proton is transferred from bumetanide to coformer amine, whereas in bumetanide salt-cocrystal proton transfer and free acid were observed in the crystal structure. Similarly, the cytosine salt-cocrystal of bumetanide and fluorocytosine also gave a salt-cocrystal adduct. The acid proton of bumetanide is transferred to the 2-amino pyridine base of cytosine as a salt, and on the other side of the drug molecule the sulfonamide interacts with the syn amide part of cytosine. Furthermore, solubility, dissolution, and diffusion membrane permeability experiments were performed on all new solid forms. The piperazine salt shows high dissolution and permeability crossover when compared to other binary forms of bumetanide.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01195}, author = {Allu, Suryanarayana and Bolla, Geetha and Tothadi, Srinu and Nangia, Ashwini K.} } @article {46805, title = {Novel Ru nanoparticle catalysts for the catalytic transfer hydrogenation of biomass-derived furanic compounds}, journal = {Sustainable Energy \& Fuels}, volume = {4}, year = {2020}, month = {JUL }, pages = {3654-3667}, type = {Article}, abstract = {
The catalytic transfer hydrogenation (CTH) reaction was investigated for boosting the reduction of biomass-derived furanic compounds to obtain high-quality liquid biofuels. The CTH of 5-hydroxymethylfurfural (HMF) to 2,5-dimethylfuran (DMF) and furfural to 2-methylfuran (MF) was thoroughly studied over the Ru, Pd, Au, Pt, Ni, Rh and Cu metal catalysts supported on nitrogen-doped mesoporous carbons (NMCs) by utilizing 2-propanol as a source of hydrogen. The structural characteristics of the materials were examined by employing various physico-chemical methods, such as XRD, N(2)sorption, CHN analysis, XPS, FT-IR spectroscopy, H-2-TPR, TEM, CO2-TPD, ICP-OES and Raman spectroscopy. The influence of the N content, basicity of the catalyst, reaction temperature, hydrogen donor, nature of the catalyst support and transition metal was systematically investigated with regard to the substrate conversions and product yields. The correlation between the N content (wt\%) of the catalysts and the Ru nanoparticle size (nm) and turnover frequency (h(-1)) was also investigated. Highly dispersed Ru nanoparticles (1.9 nm) supported on NMC displayed admirable catalytic performance in CTH for the conversion of HMF to DMF and furfural to MF. The catalyst Ru-NMC with a good N content (11.4 wt\%) gave 84 and 87 mol\% yields of DMF and MF, respectively, with 2-propanol as the source of hydrogen under mild reaction conditions. In addition, this catalyst demonstrated excellent recyclability. The better catalytic activity of the Ru-NMC catalyst in the CTH of HMF and furfural was credited to the small size of the Ru metal nanoparticles (1.9 nm), high N content, superior metal-support interaction and mesoporous framework of the catalyst.
}, issn = {2398-4902}, doi = {10.1039/d0se00361a}, author = {Nagpure, Atul S. and Gogoi, Pranjal and Lucas, Nishita and Chilukuri, V. Satyanarayana} } @article {46854, title = {Novel synthesis of 3-((benzo[d]thiazol-2-ylamino)(phenyl)methyl)-4-hydroxy-1-methylquinol in-2(1H)-one via consecutive C-C and C-N bond formation in water}, journal = {Research on Chemical Intermediates}, volume = {46}, year = {2020}, month = {AUG}, pages = {3801-3815}, type = {Article}, abstract = {
A simple, efficient, and eco-friendly protocol has been developed for the synthesis of novel 3-((benzo[d]thiazol-2-ylamino)(4-methoxyphenyl)methyl)-4-hydroxy-1-met hylquinolin-2(1H)-one derivatives using a one-pot C-C and C-N bond forming strategy from the reaction of 4-hydroxy-1-methylquinolin-2(1H)-one, 2-aminobenzothiazole and aromatic aldehydes in aqueous solvent without using any metal catalyst. Several advantages of this protocol include its operational simplicity, short reaction time, mild reaction condition, efficient utilization of all the reactants, wide functional group tolerance, using water as an environmentally friendly solvent and non-chromatographic purification procedure. [GRAPHICS] .
}, keywords = {4-Hydroxy-1-methylquinolin-2(1H)-one, Green solvent, Multicomponent reactions (MCRs), Quinolines, Thiazole}, issn = {0922-6168}, doi = {10.1007/s11164-020-04173-0, Early Access Date = MAY 2020}, author = {Yadav, Maruti B. and Vagh, Sandip S. and Jeong, Yeon Tae} } @article {47136, title = {Ofloxacin-loaded PLLA nanofibrous mats for wound dressing applications}, journal = {ACS Applied Bio Materials}, volume = {3}, year = {2020}, month = {AUG}, pages = {6648{\textendash}6660}, type = {Article }, abstract = {
Poly(l-lactide) (PLLA) was synthesized from l-lactide in the presence of a zinc salen complex. Ofloxacin (OFLX)-loaded PLLA nanofibrous mats were fabricated by electrospinning using dichloromethane/dimethyl sulfoxide (4:1 v/v) solutions containing different amounts of OFLX (1, 3, 5, and 10 w/w\%). The morphology and diameter of nanofibrous mats were studied by scanning electron microscopy (SEM). The internal morphology of the nanofibers was examined by transmission electron microscopy (TEM). Miscibility between OFLX and PLLA in nanofibrous mats was confirmed by attenuated total reflection{\textendash}Fourier transform infrared (ATR{\textendash}FTIR) spectroscopy. Differential scanning calorimetry (DSC) confirmed the interaction of OFLX with PLLA nanofibrous mats. The presence of OFLX in PLLA nanofibrous mats increased the tensile strength significantly, which was confirmed by dynamic mechanical analysis (DMA). The in vitro drug release profile was studied at pH values 4.6, 5.8, and 7.4. OFLX-loaded PLLA nanofibrous mats showed burst release till first 12 h, and sustained release followed up to 168 h. The in vitro biocompatibility test of nanofibrous mats was carried out using the 3-(4,5-dimethylthiazol-2yl)-2,5-diphenyl tetrazolium bromide (MTT) assay against the NIH/3T3 fibroblast cell line. The results of MTT assay demonstrated cell viability and cell proliferation at a concentration as low as 10 w/w\%, which proved their nontoxicity and biocompatibility. OFLX-loaded PLLA nanofibrous mats exhibited good antibacterial activity against Staphylococcus aureus and Escherichia coli. The in vivo wound healing study on rats showed 44, 65, and 88\% wound closure rates on 14th day with control, PLLA, and OFLX-loaded PLLA nanofibrous mats, respectively. The results proved that the PLLA nanofibrous mats loaded with an appropriate concentration of OFLX are promising candidates for wound dressing applications.
}, keywords = {nanofibers nontoxic biocompatible, PLLA ofloxacin, wound dressing}, doi = {10.1021/acsabm.0c00290}, author = {Rade, Priyanka P. and Garnaik, Baijayantimala} } @article {46738, title = {One pot hydrogenation of furfural to 2-methyl tetrahydrofuran over supported mono- and Bi-metallic catalysts}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {AUG }, pages = {9590-9600}, type = {Article}, abstract = {
2-Methyltetrahydrofuran is a valuable commercial product that can be obtained by direct hydrogenation of furfural. In the present study, among several carbon supported bimetallic Ir-Ni catalysts with different loadings screened, 4\% Ir-4\% Ni/C catalyst showed excellent activity in terms of direct conversion (99\%) to 2-MeTHF with a maximum selectivity of similar to 74\% at 220 degrees C and 750 psig, suppressing the formation of side chain as well as ring opening products. The catalytic activity was found to be mainly affected by catalyst preparation methods, metal loadings, surface composition, temperature, pressure and catalyst loading. HR-TEM and STEM revealed well dispersed Ir-Ni NPs having the particle sizes in the range of 2 to 5 nm. Different phases of Ir i. e. Ir degrees and IrO(2)as well as oxygen vacancies were found to be responsible for hydrogenation of furfural to 2-methyl furan while, Ni degrees and NiO were responsible for further hydrogenation to 2-MeTHF. The synergic effect between Ir and Ni was established through XPS, H-2-TPR analysis. With the help of some control experiments, the plausible reaction pathway was also proposed. The catalyst prepared by co-impregnation method found more effective than prepared by sequential addition method. At lower Ni loadings of 1\% and 2\%, low temperature of 160 degrees C as well as at low H(2)pressure of 250 psig, mixture of furfuryl alcohol and 2-methyl furan were formed selectively. Catalyst could be successfully reused up to 3 times without leaching of metals.
}, keywords = {2-Methyltetrahydrofuran, Bimetallic catalyst, furfural, Hydrogenation, OER type mechanism}, issn = {2365-6549}, doi = {10.1002/slct.202002322}, author = {Date, Nandan S. and Hengne, Amol M. and Huang, K. -W. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {46973, title = {One-pot synthesis of bimodal (macro-meso, micro-mesoporous) silica by polyHIPE: parameter studies}, journal = {Journal of Porous Materials}, volume = {27}, year = {2020}, month = {FEB}, pages = {263-275}, type = {Article}, abstract = {
Porous silica with hierarchical organization of pore structure is desired for a variety of applications such as, chromatography, sensing, control release, scaffold for biomedical applications and catalysis. Highly porous polymers obtained from high internal phase emulsion (HIPE) templating route have attracted increasing attention of researchers due to their hierarchical porous and interconnected structure with high porosity and low density. The novel method adopted in our approach combines redox initiated polymerization using HIPE polymerization and an in-situ sol-gel processing technique followed by calcination to obtain highly porous materials. The obtained materials have reminiscent of polyHIPE morphology containing pores and interconnected pore throats in micrometer size range with mesopores on the wall of macropores. The effect of concentration of TEOS, volume of dispersed phase, crosslinker concentration, shear rate and surfactant concentration as well as variation in calcination temperatures on the properties of silica materials were examined.
}, keywords = {Mesoporous material, PolyHIPE, Polymer-silica hybrid, Porous silica}, issn = {1380-2224}, doi = {10.1007/s10934-019-00807-w}, author = {Wale, Apparav and Nalawade, Archana and Ponrathnam, Surendra and Rajan, C. R. and Badiger, Manohar} } @article {46958, title = {Organocatalytic cascade knoevenagel-michael addition reactions: direct synthesis of polysubstituted 2-amino-4H-chromene derivatives}, journal = {Catalysis Letters}, volume = {150}, year = {2020}, month = {AUG}, pages = {2331-2351}, type = {Article}, abstract = {
In this report, we documented novel strategy for the synthesis of bioactive polysubstituted 2-amino-4H-chromine derivatives under a heterogeneous Al-MCM-41-LDH@APTES (ALAM) catalysis. A synthetic procedure is developed to prepare Al-MCM-41-LDH@APTES (ALAM) heterogeneous basic catalysts. Mesoporous Al-MCM-41 is functionalized by known grafting chemistry via layered double hydroxide (LDH) nanosheets and (3-aminopropyl)triethoxysilane (APTES) moiety as a basic organocatalyst. The resulting catalysts contain amino group functionality on the external surface as well as inside the layers and the basicity can be tuned by the loading of APTES. The samples were fully characterized by Si-29 and C-13 CP/MAS NMR, infrared absorption spectroscopy, TEM, XPS, EDX, TGA, XRD, CO2-TPD, N-2 adsorption isotherms measurements, and they were successfully examined for the cascade type Knoevenagel-Michael addition reactions. The product yields associated with these substrates were optimized, and key reaction parameters affecting the yields were identified. The present catalytic method is simple and robust for diversity oriented synthesis which proceeds good to excellent yields without generating any hazards waste. The broad substrate scope, excellent functional group compatibility makes this protocol highly useful towards synthesis of polysubstituted alpha-cyanoacrylates, alpha-cyanoacrylonitriles and 2-amino-4H-chromenes with an electron-donating or electron-withdrawing group. We have also successfully established a flow reaction system, gram-scale synthesis as well as catalyst recyclability up to six catalytic cycles without appreciable loss of its activity. Graphic
}, keywords = {2-Amino-4H-chromines, Amine functionalized solid catalysts, cascade synthesis, Diversity oriented syntheses (DOS), flow chemistry}, issn = {1011-372X}, doi = {10.1007/s10562-019-03089-8, Early Access Date = FEB 2020}, author = {Jadhav, Sanjay N. and Patil, Seema P. and Sahoo, Dipti Prava and Rath, Dharitri and Parida, Kulamani and Rode, Chandrashekhar V.} } @inbook {47308, title = {Organocatalyzed α-aminooxylation/amination of aldehydes and their sequential reactions: a versatile tool for the synthesis of bioactive molecules}, booktitle = {Bioactive Natural Products}, volume = {64}, year = {2020}, pages = {417-465}, publisher = {Elsevier B.V.}, organization = {Elsevier B.V.}, abstract = {
This chapter introduces the sequential reactions of proline catalyzed α-aminooxylation and α-amination of aldehydes and its broad applications in the synthesis of bioactive molecules. It starts by presenting an overview of organocatalysis, particularly proline and its catalytic behavior. It then explains the proline catalyzed α-aminooxylation reaction and its sequential reactions one by one along with its applications in the synthesis of natural products. Next, it describes the\ l- and\ d-proline catalyzed α-amination and its sequential reactions. A full description of the synthetic scheme of natural products is provided.
}, doi = {10.1016/B978-0-12-817903-1.00014-0}, author = {Ahuja, Brij Bhushan and Sudalai, Arumugum} } @article {47010, title = {Ovalbumin-mediated synthesis and simultaneous functionalization of graphene with increased protein stability}, journal = {Green Chemistry Letters and Reviews}, volume = {13}, year = {2020}, month = {JAN }, pages = {60-67}, type = {Article}, abstract = {
In this article, we have shown an easy, one-step, protein-directed approach for the synthesis of water-soluble and functional graphene using ovalbumin. The obtained ovalbumin functionalized graphene was characterized by UV-visible spectroscopy, X-ray diffraction, Raman spectroscopy, and Fourier transform infrared spectroscopy. Atomic force microscopy was used to check the attachment/functionalization of ovalbumin on grapheme sheets. It was shown that the functionalization of ovalbumin on grapheme sheets makes the protein more thermally stable compare to free ovalbumin, which has been shown by using sodium dodecyl sulfate polyacrylamide gel electrophoresis.
}, keywords = {Atomic force microscopy, graphene, graphene oxide, Ovalbumin, SDS-PAGE, thermal degradation}, issn = {1751-8253}, doi = {10.1080/17518253.2020.1725150}, author = {Ullah, Riaz and Khan, Shadab Ali and Aladresi, Aref Ali Mohammed and Alharbi, Sulaiman Ali and Chinnathambi, Arunachalam} } @article {46888, title = {Overturning the peribysin family natural products isolated from periconia byssoides OUPS-N133: synthesis and stereochemical revision of peribysins A, B, C, F, and G}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {APR}, pages = {3104-3109}, type = {Article}, abstract = {
Herein we report the stereochemical revision of peribysins A, B, C, F, and G, guided by enantiospecific total synthesis starting from (+)-nootkatone. Furthermore, we reconfirmed the absolute stereochemistry of peribysin Q The highlights of the synthesis are enone transposition and kinetic iodination resulting in separation of diastereomers. Our findings coupled with synthetic and biological data previously reported by Danishefsky{\textquoteright}s group suggest that the original stereochemistries of peribysins A, B, C, F, and G were misassigned.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c00857}, author = {Athawale, Paresh R. and Kalmode, Hanuman P. and Motiwala, Zenia and Kulkarni, Kiran A. and Reddy, D. Srinivasa} } @article {46686, title = {Oxidative rearrangement of stilbenes to 2,2-diaryl-2-hydroxyacetaldehydes}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {OCT }, pages = {25199-25208}, type = {Article}, abstract = {
A one-pot oxone-mediated/iodine-catalyzed oxidative rearrangement of stilbenes leading to 2,2-diary1-2-hydroxyacetaldehydes is described. Control experiments revealed that a 2,2-diarylacetaldehyde was initially formed that undergoes subsequent alpha-hydroxylation. The resulting alpha-hydroxyaldehydes have been subjected to a one-pot Still Gennari olefination followed by cyclization, leading to S,S-diaryl-y-butenolides.
}, issn = {2470-1343}, doi = {10.1021/acsomega.0c03328}, author = {Kalshetti, Rupali G. and Ramana, V. Chepuri} } @article {46610, title = {P2O5-mediated Friedel-Crafts acylation of activated arenes with carboxylic acid as acylating agent}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {59}, year = {2020}, month = {DEC}, pages = {1861-1867}, type = {Article}, abstract = {
P2O5 has been found to be a highly efficient and environmental friendly catalyst for the liquid-phase acylation of activated aromatic substrates giving aromatic ketones (45-93\%) in a regioselective manner. Both aromatic and aliphatic carboxylic acids can be employed as acylating source. The process is particularly demonstrated at 100 g scale in the case of anisole and acetic acid to produce 4-methoxyacetophenone.
}, keywords = {4-methoxyacetophenone, Carboxylic acid, Friedel-Crafts acylations, phosphorus pentoxide}, issn = {0376-4699}, author = {Kalshetti, Rupali G. and Mandle, Ram D. and Kamble, Sanjay P. and Sudalai, Arumugam} } @article {47016, title = {P301 L, an FTDP-17 mutant, exhibits enhanced glycation in vitro}, journal = {Journal of Alzheimers Disease}, volume = {75}, year = {2020}, month = {JAN}, pages = {61-71}, type = {Article}, abstract = {
Background: Frontotemporal dementia and parkinsonism-linked to chromosome-17 are a group of diseases with tau mutations leading to primary tauopathies which include progressive supranuclear palsy, corticobas al syndrome, and frontotemporal lobar degeneration. Alzheimer{\textquoteright}s disease is a non-primary tauopathy, which displays tau neuropathology of excess tangle formation and accumulation. FTDP-17 mutations are responsible for early onset of AD, which can be attributed to compromised physiological functions due to the mutations. Tau is a microtubule-binding protein that secures the integrity of polymerized microtubules in neuronal cells. It malfunctions owing to various insults and stress conditions-like mutations and post-translational modifications. Objective: In this study, we modified the wild type and tau mutants by methyl glyoxal and thus studied whether glycation can enhance the aggregation of predisposed mutant tau. Methods: Tau glycation was studied by fluorescence assays, SDS-PAGE analysis, conformational evaluation, and transmission electron microscopy. Results: Our study suggests that FTDP-17 mutant P301 L leads to enhanced glycation-induced aggregation as well as advanced glycation end products formation. Glycation forms amorphous aggregates of tau and its mutants without altering its native conformation. Conclusion: The metabolic anomalies and genetic predisposition have found to accelerate tau-mediated neurodegeneration and prove detrimental for the early-onset of Alzheimer{\textquoteright}s disease.
}, keywords = {advanced glycation end products, Alzheimer{\textquoteright}s disease, FTDP-17, tau glycation}, issn = {1387-2877}, doi = {10.3233/JAD-191348}, author = {Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose} } @article {46838, title = {Palladium-catalyzed insertion of ethylene and 1,1-disubstituted difunctional olefins: an experimental and computational study}, journal = {ChemPlusChem}, volume = {85}, year = {2020}, month = {JUN}, pages = {1200-1209}, type = {Article}, abstract = {
Insertion or coordination copolymerization of ethylene with di-substituted olefins is challenging and the choice of di-substituted mono-functional olefin versus di-substituted di-functional olefin (DDO) appears to be decisive. Here we show that DDO-inserted species are amenable to ethylene insertion and polymerization. DDOs such as 2-acetamidoacrylic acid (AAA), methyl 2-acetamidoacrylate (MAAA), and ethyl 2-cyanoacrylate (ECA) were treated with palladium complex [{P perpendicular to O}PdMe(L)] (P perpendicular to O=kappa(2)-P,O-Ar2PC6H4SO2O with Ar=2-MeOC6H4; L=C2H6OS) and the existence of respective insertion intermediates in moderate yield (up to 37 \%) was established. These intermediates were exposed to ethylene and corresponding ethylene-inserted products were isolated and characterized. A careful comparison with three model compounds confirmed ethylene insertion and polymerization. Thus, the combined experimental and computational investigations show that DDO-inserted species can undergo ethylene insertion and polymerization.
}, keywords = {Homogeneous catalysis, insertion copolymerization, Olefins, Palladium, Polyethylene}, issn = {2192-6506}, doi = {10.1002/cplu.202000309}, author = {Gaikwad, Shahaji R. and Patel, Ketan and Deshmukh, Satej S. and Mote, Nilesh R. and Birajdar, Rajkumar S. and Pandole, Satish P. and Chugh, Jeetender and Chikkali, Samir H.} } @article {46936, title = {Palladium-catalyzed oxidative annulation of pyrrolylalkyl-1H-azoles: towards the synthesis of polyheterocyclic arenes}, journal = {Synthesis-Stuttgart}, volume = {52}, year = {2020}, month = {MAR }, pages = {719-726}, type = {Article}, abstract = {
A highly efficient and regioselective palladium-catalyzed annulation protocol for a series of linear and terminally substituted 1,2- and 1,3-di(heteroaryl)alkanes to the corresponding polyheterocyclic arenes is reported. Herein, intramolecular oxidative coupling involving double C(sp(2))-H bond functionalization provides a feasible access to biheteroaryl systems annulated to a six-membered ring. The methodology is not restricted to six-membered annulations and was extended to the synthesis of compounds with a seven-membered ring and biheteroaryl core.
}, keywords = {C-H functionalization, imidazoles, oxidative coupling, Palladium, pyrroles}, issn = {0039-7881}, doi = {10.1055/s-0039-1691492}, author = {Tripathi, Krishna N. and Bansode, Avinash H. and Singh, Ravi P.} } @article {46726, title = {Pan-genomics of Ochrobactrum species from clinical and environmental origins reveals distinct populations and possible links}, journal = {Genomics}, volume = {112}, year = {2020}, month = {SEP}, pages = {3003-3012}, type = {Article}, abstract = {
Ochrobactrum genus is comprised of soil-dwelling Gram-negative bacteria mainly reported for bioremediation of toxic compounds. Since last few years, mainly two species of this genus, O. intermedium and O. anthropi were documented for causing infections mostly in the immunocompromised patients. Despite such ubiquitous presence, study of adaptation in various niches is still lacking. Thus, to gain insights into the niche adaptation strategies, pan-genome analysis was carried out by comparing 67 genome sequences belonging to Ochrobactrum species. Pan-genome analysis revealed it is an open pan-genome indicative of the continuously evolving nature of the genus. The presence/absence of gene clusters also illustrated the unique presence of antibiotic efflux transporter genes and type IV secretion system genes in the clinical strains while the genes of solvent resistance and exporter pumps in the environmental strains. A phylogenomic investigation based on 75 core genes depicted better and robust phylogenetic resolution and topology than the 16S rRNA gene. To support the pan-genome analysis, individual genomes were also investigated for the mobile genetic elements (MGE), antibiotic resistance genes (ARG), metal resistance genes (MRG) and virulence factors (VF). The analysis revealed the presence of MGE, ARG, and MRG in all the strains which play an important role in the species evolution which is in agreement with the pan-genome analysis. The average nucleotide identity (ANI) based on the genetic relatedness between the Ochrobactrum species indicated a distinction between individual species. Interestingly, the ANI tool was able to classify the Ochrobactrum genomes to the species level which were assigned till the genus level on the NCBI database.
}, keywords = {Antibiotic resistance, Average nucleotide identity, Clinical and environmental strains, Core genes, MinION, Virulence factors}, issn = {0888-7543}, doi = {10.1016/j.ygeno.2020.04.030}, author = {Gohil, Kushal and Rajput, Vinay and Dharne, Mahesh} } @article {46966, title = {Para-selective copper-catalyzed C(sp(2))-H amidation/dimerization of anilides via a radical pathway}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {FEB }, pages = {1565-1568}, type = {Article}, abstract = {
Copper-catalyzed amidation/dimerization of anilides via regioselective C(sp(2))-H functionalization is achieved. The para-selective amidation is accomplished on the anilide aromatic ring via a radical pathway leading to C-N bond formation in the presence of ammonium persulfate as a radical source/oxidant for the copper catalyst. The developed protocol tolerates a wide range of anilide substrates. The regioselectivity is confirmed by single-crystal X-ray studies.
}, issn = {1359-7345}, doi = {10.1039/c9cc09824k}, author = {Viveki, Amol B. and Garad, Dnyaneshwar N. and Gonnade, Rajesh G. and Mhaske, Santosh B.} } @article {46901, title = {Particle size effect in different base fluids on the thermal conductivity of fatty acid coated magnetite nanofluids}, journal = {Journal of Molecular Liquids}, volume = {303}, year = {2020}, month = {APR }, pages = {112650}, type = {Article}, abstract = {
The effect of particle size on the thermal conductivity of nanofluids is studied by dispersing myristic acid coated magnetite (Fe3O4) nanoparticles in two different base fluids; toluene and kerosene. Magnetite nanoparticles of three different sizes 4, 7 and 10 nm dispersed in toluene and kerosene showed a linear increase in the thermal conductivity with increasing concentration of the nanopartides, above a critical concentration. The critical concentration below which the thermal conductivity remained unchanged with the concentration of the nanopartides is found to be lower for the kerosene-based fluids. The variation of thermal conductivity with particle size is without any clear trend. However, within the measurement errors (+/- 1\%), the toluene-based fluids showed a decrease in the thermal conductivity with increasing particle size, whereas the opposite trend is observed for the kerosene-based fluids. Also, the kerosene-based fluids at similar concentrations of the nanopartides showed relatively larger enhancement in the thermal conductivity than the toluene-based fluids. The observed role of the base fluid in enhancing the thermal conductivity is correlated with the difference in the solvent-surfactant interactions which in turn affect the interfacial thermal resistance at the particle-fluid interface. The thermal conductivity of the nanofluids in toluene and kerosene is also found to show different trends with the size of the particles in the presence of an external magnetic field. The difference in the enhancement of thermal conductivity of the fluids in a magnetic field is explained in terms of the differences in the magnetic dipolar interactions, clustering/ agglomeration, and magnetic characteristics of the samples as well as the characteristics of the base fluid. (C) 2020 Elsevier B.V. All rights reserved.
}, issn = {0167-7322}, doi = {10.1016/j.molliq.2020.112650}, author = {Dadwal, Arun and Joy, P. A.} } @article {46951, title = {Pd-catalyzed annulation of beta-iodovinyl sulfones with 2-halophenols: a general route for the synthesis of 3-sulfonyl benzofuran derivatives}, journal = {Advanced Synthesis \& Catalysis}, volume = {362}, year = {2020}, month = {MAR}, pages = {1317-1322}, type = {Article}, abstract = {
The palladium-catalyzed annulation between beta-iodovinyl sulfones and 2-halophenols or 1-bromo-2-naphthol or 2-bromo-3-pyridinol is presented. The annulation process involving oxa-Michael addition-elimination and intramolecular Heck reaction leading to form 2,3-disubstituted benzofurans (aryl benzofuryl sulfones) in good to high yields. The regioselective tandem construction of C-O and C-C bonds has been achieved with a variety of substitution patterns. Moreover, the tandem process is reliable at gram-scale reactions and a plausible mechanism is also proposed.
}, keywords = {Benzofurans, beta-Iodovinyl sulfones, Heck reaction, Naphthofurans, oxa-Michael addition}, issn = {1615-4150}, doi = {10.1002/adsc.201901550, Early Access Date = FEB 2020}, author = {Reddy, Raju Jannapu and Kumar, Jangam Jagadesh and Kumari, Arram Haritha and Krishna, Gamidi Rama} } @article {46996, title = {Pd-iminocarboxylate complexes and their behavior in ethylene polymerization}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {FEB }, pages = {398-405}, type = {Article}, abstract = {
Designing co-catalyst-free late transition metal complexes for ethylene polymerization is a challenging task at the interface of organometallic and polymer chemistry. Herein, a set of new, co-catalyst-free, single-component catalytic systems for ethylene polymerization have been unraveled. Treatment of anthranilic acid with various aldehydes produced four iminocarboxylate ligands (L1-L4) in very good to excellent yield (75-92 \%). The existence of 2-((2-methoxybenzylidene)amino) benzoic acid (L1) has been unambiguously demonstrated using NMR spectroscopy, MS and single-crystal X-ray diffraction. A neutral Pd-iminocarboxylate complex [{N O}PdMe(L1)] (N O=kappa(2)-N,O-ArCHNC6H4CO2 with Ar=2-MeOC6H4) C1 was prepared by treating stoichiometric amount of L1.Na with palladium precursor. The identity of C1 was confirmed by 1-2D NMR spectroscopy and single-crystal X-ray diffraction studies. Along the same lines, palladium complexes C2-C4 were prepared from ligands L2-L4 respectively. In-situ high-pressure NMR investigations revealed that these Pd complexes are amenable to ethylene insertion and undergo facile beta-H elimination to produce propylene. These palladium complexes were then evaluated in ethylene polymerization reaction and various reaction parameters were screened. When C1-C4 were exposed to ethylene pressures of 10-50 bar, formation of low-molecular-weight polyethylene was observed.
}, keywords = {imine, Imine-carboxylate, Insertion polymerization, Pd complexes, Polyethylene}, issn = {1861-4728}, doi = {10.1002/asia.201901501, Early Access Date = JAN 2020}, author = {Deshmukh, Satej S. and Gaikwad, Shahaji R. and Gonnade, Rajesh G. and Pandole, Satish P. and Chikkali, Samir H.} } @article {46616, title = {Penicillium janthinellum NCIM1366 shows improved biomass hydrolysis and a larger number of CAZymes with higher induction levels over Trichoderma reesei RUT-C30}, journal = {Biotechnology for Biofuels}, volume = {13}, year = {2020}, month = {DEC }, pages = {196}, type = {Article}, abstract = {
Background Major cost of bioethanol is attributed to enzymes employed in biomass hydrolysis. Biomass hydrolyzing enzymes are predominantly produced from the hyper-cellulolytic mutant filamentous fungus Trichoderma reesei RUT-C30. Several decades of research have failed to provide an industrial grade organism other than T. reesei, capable of producing higher titers of an effective synergistic biomass hydrolyzing enzyme cocktail. Penicillium janthinellum NCIM1366 was reported as a cellulase hyper producer and a potential alternative to T. reesei, but a comparison of their hydrolytic performance was seldom attempted. Results Hydrolysis of acid or alkali-pretreated rice straw using cellulase enzyme preparations from P. janthinellum and T. reesei indicated 37 and 43\% higher glucose release, respectively, with P. janthinellum enzymes. A comparison of these fungi with respect to their secreted enzymes indicated that the crude enzyme preparation from P. janthinellum showed 28\% higher overall cellulase activity. It also had an exceptional tenfold higher beta-glucosidase activity compared to that of T. reesei, leading to a lower cellobiose accumulation and thus alleviating the feedback inhibition. P. janthinellum secreted more number of proteins to the extracellular medium whose total concentration was 1.8-fold higher than T. reesei. Secretome analyses of the two fungi revealed higher number of CAZymes and a higher relative abundance of cellulases upon cellulose induction in the fungus. Conclusions The results revealed the ability of P. janthinellum for efficient biomass degradation through hyper cellulase production, and it outperformed the established industrial cellulase producer T. reesei in the hydrolysis experiments. A higher level of induction, larger number of secreted CAZymes and a high relative proportion of BGL to cellulases indicate the possible reasons for its performance advantage in biomass hydrolysis.
}, keywords = {Bioethanol, CAZymes, Cellulase, Penicillium janthinellum, Secretome, Trichoderma reesei}, doi = {10.1186/s13068-020-01830-9}, author = {Sreeja-Raju, Athiraraj and Christopher, Meera and Kooloth-Valappil, Prajeesh and Kuni-Parambil, Rajasree and Gokhale, Digambar Vittal and Sankar, Meena and Abraham, Amith and Pandey, Ashok and Sukumaran, Rajeev K.} } @article {47005, title = {Phagocytosis of full-length Tau oligomers by Actin-remodeling of activated microglia}, journal = {Journal of Neuroinflammation}, volume = {17}, year = {2020}, month = {JAN }, pages = {10}, type = {Article}, abstract = {
Background Alzheimer{\textquoteright}s disease is associated with the accumulation of intracellular Tau tangles within neurons and extracellular amyloid-beta plaques in the brain parenchyma, which altogether results in synaptic loss and neurodegeneration. Extracellular concentrations of oligomers and aggregated proteins initiate microglial activation and convert their state of synaptic surveillance into a destructive inflammatory state. Although Tau oligomers have fleeting nature, they were shown to mediate neurotoxicity and microglial pro-inflammation. Due to the instability of oligomers, in vitro experiments become challenging, and hence, the stability of the full-length Tau oligomers is a major concern. Methods In this study, we have prepared and stabilized hTau40(WT) oligomers, which were purified by size-exclusion chromatography. The formation of the oligomers was confirmed by western blot, thioflavin-S, 8-anilinonaphthaalene-1-sulfonic acid fluorescence, and circular dichroism spectroscopy, which determine the intermolecular cross-beta sheet structure and hydrophobicity. The efficiency of N9 microglial cells to phagocytose hTau40(WT) oligomer and subsequent microglial activation was studied by immunofluorescence microscopy with apotome. The one-way ANOVA was performed for the statistical analysis of fluorometric assay and microscopic analysis. Results Full-length Tau oligomers were detected in heterogeneous globular structures ranging from 5 to 50 nm as observed by high-resolution transmission electron microscopy, which was further characterized by oligomer-specific A11 antibody. Immunocytochemistry studies for oligomer treatment were evidenced with A11(+) Iba1(high) microglia, suggesting that the phagocytosis of extracellular Tau oligomers leads to microglial activation. Also, the microglia were observed with remodeled filopodia-like actin structures upon the exposure of oligomers and aggregated Tau. Conclusion The peri-membrane polymerization of actin filament and co-localization of Iba1 relate to the microglial movements for phagocytosis. Here, these findings suggest that microglia modified actin cytoskeleton for phagocytosis and rapid clearance of Tau oligomers in Alzheimer{\textquoteright}s disease condition.
}, keywords = {Actin, activation, Alzheimer{\textquoteright}s disease, microglia, migration, neurodegeneration, Tau Oligomers, Tauopathy}, doi = {10.1186/s12974-019-1694-y}, author = {Das, Rashmi and Balmik, Abhishek Ankur and Chinnathambi, Subashchandrabose} } @article {46706, title = {Phase- and morphology-controlled synthesis of tunable plasmonic MoO3-x nanomaterials for ultrasensitive surface-enhanced raman spectroscopy detection}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {SEP }, pages = {21082-21093}, type = {Article}, abstract = {
The enhancement of the surface-enhanced Raman scattering (SERS) property of the plasmonic metal oxide semiconductor nanostructures by controlling their phase, shape, size, and oxygen vacancy to detect trace amounts of organics is of significant interest. In this study, a simple surfactant-free hydrothermal strategy was proposed to fabricate crystalline h-MoO3-x and alpha-MoO3-x nanomaterials with tunable plasmonic properties. Herein, the crystal phase, morphology, and oxygen vacancy of MoO3-x nanostructures were precisely controlled under suitable synthetic conditions. The plasmonic properties of the as-synthesized h-MoO3-x and alpha-MoO3-x micro-/nanostructures were controlled by adjusting the residual volume in the autoclaving chamber. In addition, the plasmonic MoO3-x exhibited SERS activity with a detection limit as low as 1.0 x 10(-9) M and the maximum enhancement factor (EF) up to 6.99 x 10(5) for h-MoO3-x, while for alpha-MoO3-x, the detection limit was 1.0 x 10(-7) M with the corresponding EF up to 8.51 x 10(3), comparable with plasmonic noble metal nanomaterials without a {\textquoteleft}{\textquoteleft}hot spot{\textquoteright}{\textquoteright}.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c06004}, author = {Patil, Manoj Krishnat and Gaikwad, Supriya Hanmant and Mukherjee, Shatabdi Porel} } @article {46866, title = {Phenylboronic acid-catalyzed tandem construction of S-S and C-S bonds: a new method for the synthesis of benzyl disulfanylsulfone derivatives from S-benzyl thiosulfonates}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {MAY }, pages = {3243-3248}, type = {Article}, abstract = {
A unique phenylboronic acid-catalyzed dimerization-sulfonylation of S-benzyl thiosulfonates has been disclosed. A metal-free tandem construction of S-S and C-S bonds is an operationally simple method to access a wide range of benzyl disulfanylsulfone derivatives in high to excellent yields. Moreover, the robustness of this tandem transformation has been demonstrated by gram-scale reactions, and a plausible mechanism is also proposed.
}, issn = {1477-0520}, doi = {10.1039/d0ob00442a}, author = {Reddy, Raju Jannapu and Waheed, Md and Krishna, Gamidi Rama} } @article {46794, title = {Phosphorous-doped graphitic material as a solid acid catalyst for microwave-assisted synthesis of beta-ketoenamines and baeyer-villiger oxidation}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {JUL }, pages = {15962-15972}, type = {Article}, abstract = {
Synthesis of phosphorous-doped graphitic materials (P-Gc) using phytic acid as a precursor was done in a microwave oven in a cost- and time-effective green way. The material was used as a solid acid catalyst for microwave (MW)-assisted synthesis of beta-ketoenamines and Baeyer-Villiger (By) oxidation. In the case of BV oxidation, hydrogen peroxide (H2O2) was used as a green oxidant. For beta-ketoenamines, in most cases, 100\% conversion with an similar to 95\% yield was achieved in ethyl acetate medium. In solvent-free conditions, the yield of beta-ketoenamines was similar to 75\%. A kinetic study suggested that the resonance stabilization of the positive reaction center happens in the transition state for beta-ketoenamine synthesis. In BV oxidation, cyclic ketones were converted to their corresponding cyclic esters in good to high yields (similar to 80\% yield) in a shorter reaction time (6-20 min). As per our knowledge, this is the first report of BV oxidation catalyzed by a heteroatom-doped graphitic material. For BV oxidation, the phosphoric acid functional groups present in P-Gc might increase the electrophilicity of the carbonyl group of the ketones to compensate for the weakness of H2O2 as a nucleophile and a spiro-bisperoxide intermediate has been identified in high-resolution mass spectrometry.
}, issn = {2470-1343}, doi = {10.1021/acsomega.0c01231}, author = {Maity, Sayantan and Ram, Farsa and Dhar, Basab Bijayi} } @article {46702, title = {Photocatalytic hydrogen generation and CO2 conversion using g-C3N4 decorated dendritic fibrous nanosilica: role of interfaces between silica and g-C3N4}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {SEP }, pages = {8150-8158}, type = {Article}, abstract = {
We have synthesized g-C3N4 decorated over dendritic fibrous nanosilica (DFNS). The generation of C-N-Si interfaces by coating each fiber of DFNS with g-C3N4 not only provided high surface area but also affected the optical and electronic properties of the composite. The catalyst synthesis reproducibility issue of g-C3N4 was resolved using a vacuum-sealed quartz tube. The extended light absorption in the visible region, enhanced lifetime of photogenerated charge carriers due to the formation of interfaces between silica and g-C3N4 (confirmed by solid-state NMR), and increased surface area result in the improved photocatalytic activity of DFNS/g-C(3)N(4)for hydrogen generation and CO2 conversion.
}, keywords = {CO2 conversion, DFNS, g-C3N4, Hydrogen generation, nanocatalysts, photocatalysts, Solid-state NMR}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01265}, author = {Rawool, Sushma A. and Samanta, Anupam and Ajithkumar, T. G. and Kar, Yusuf and Polshettiwar, Vivek} } @proceedings {47332, title = {Photocatalytic hydrogen production from H2S using nanostructured CNT blended CdZnS/Fe2O3 thin film on glass substrate}, volume = {1495}, year = {2020}, month = {MAR}, publisher = {IOP Publishing Ltd}, abstract = {
A co-precipitation method was employed to prepare the CNT blended CdZnS/Fe2O3\ photocatalyst. Using the powder photocatalyst, the thin film of CNT blended CdZnS/Fe2O3\ photocatalyst over a glass substrate was prepared using the drop-casting method. The obtained thin film was characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), energy-dispersive X-ray analysis (EDAX), photoluminescence (PL), and hydrogen production activity studies in order to obtain information on their structural, morphology, chemical composition, optical and hydrogen production efficiency. The hydrogen production activity of catalyst or effective conversion of H2S into hydrogen (H2) and sulfur (S) using thin-film photocatalyst was evaluated using a simulated sulfide solution. The results showed that 1 mg of CNT blended CdZnS/Fe2O3\ catalyst coated as thin film over glass substrate (4.69 cm2) showed the highest hydrogen production value of 3180 μmol h-1g-1; compared to that of 1 mg CNT blended CdZnS/Fe2O3\ powder of 2510 μmol h-1g-1. From the above results, it is concluded that the thin film form of photocatlyst produced more hydrogen than the powder form. This is attributed to the effective charge separation and increased specific surface area in thin film photocatalyst.
}, doi = {10.1088/1742-6596/1495/1/012035}, author = {Raja, M. Anthony and Vijayarengan, Preethi and Pal, Yash and Nalajala, Naresh and Gopinath, Chinnakonda} } @article {46774, title = {Photodynamic exposure of Rose-Bengal inhibits Tau aggregation and modulates cytoskeletal network in neuronal cells}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {JUL}, pages = {12380}, type = {Article}, abstract = {
The intracellular Tau aggregates are known to be associated with Alzheimer{\textquoteright}s disease. The inhibition of Tau aggregation is an important strategy for screening of therapeutic molecules in Alzheimer{\textquoteright}s disease. Several classes of dyes possess a unique property of photo-excitation, which is applied as a therapeutic measure against numerous neurological dysfunctions. Rose Bengal is a Xanthene dye, which has been widely used as a photosensitizer in photodynamic therapy. The aim of this work was to study the protective role of Rose Bengal against Tau aggregation and cytoskeleton modulations. The aggregation inhibition and disaggregation potency of Rose Bengal and photo-excited Rose Bengal were observed by in-vitro fluorescence, circular dichroism, and electron microscopy. Rose Bengal and photo-excited Rose Bengal induce minimal cytotoxicity in neuronal cells. In our studies, we observed that Rose Bengal and photo-excited Rose Bengal modulate the cytoskeleton network of actin and tubulin. The immunofluorescence studies showed the increased filopodia structures after photo-excited Rose Bengal treatment. Furthermore, Rose Bengal treatment increases the connections between the cells. Rose Bengal and photo-excited Rose Bengal treatment-induced actin-rich podosome-like structures associated with cell membranes. The in-vivo studies on UAS E-14 Tau mutant Drosophila suggested that exposure to Rose Bengal and photo-excited Rose Bengal efficiency rescues the behavioural and memory deficit in flies. Thus, the overall results suggest that Rose Bengal could have a therapeutic potency against Tau aggregation.
}, issn = {2045-2322}, doi = {10.1038/s41598-020-69403-2}, author = {Dubey, Tushar and Gorantla, Nalini Vijay and Chandrashekara, Kagepura Thammaiah and Chinnathambi, Subashchandrabose} } @article {46769, title = {Photoresponse properties of CdSe thin film photodetector}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {31}, year = {2020}, month = {SEP}, pages = {15061-15069}, type = {Article}, abstract = {
In the present investigation, the performance of highly sensitive photodetector based on CdSe thin film has been demonstrated. The cadmium selenide (CdSe) films were deposited successfully by spray pyrolysis method on glass substrate. The as-deposited films were used as visible light detector. Further, the structural, morphological, and optical properties of CdSe films were investigated through X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy, and optical absorption spectrophotometer. The XRD studies show that the produced samples are polycrystalline in nature. A UV-Visible absorbance spectrum indicates direct allowed transition with bandgap about 1.75 eV. The SEM micrographs depict uniformly distributed well defined uneven hexagonal grains. The CdSe film-based photodetector exhibits high responsivity, detectivity and shows an ultrafast photoresponse. The excellent photoresponse and high photosensitivity of CdSe film makes it a strong candidate for high-performance photodetectors.
}, issn = {0957-4522}, doi = {10.1007/s10854-020-04069-0, Early Access Date = JUL 2020}, author = {Shelke, Nitin T. and Karle, S. C. and Karche, B. R.} } @article {46949, title = {Phytochemicals in cancer treatment: from preclinical studies to clinical practice (vol 10, 1614, 2020)}, journal = {Frontiers in Pharmacology}, volume = {11}, year = {2020}, month = {FEB }, pages = {175}, type = {Correction}, keywords = {Anticancer, clinical, medicinal plants, phytochemicals, preclinical}, issn = {1663-9812}, doi = {10.3389/fphar.2020.00175}, author = {Choudhari, Amit S. and Mandave, Pallavi C. and Deshpande, Manasi and Ranjekar, Prabhakar and Prakash, Om} } @article {46986, title = {Phytochemicals in cancer treatment: from preclinical studies to clinical practice}, journal = {Frontiers in Pharmacology}, volume = {10}, year = {2020}, month = {JAN}, pages = {1614}, type = {Review}, abstract = {
Cancer is a severe health problem that continues to be a leading cause of death worldwide. Increasing knowledge of the molecular mechanisms underlying cancer progression has led to the development of a vast number of anticancer drugs. However, the use of chemically synthesized drugs has not significantly improved the overall survival rate over the past few decades. As a result, new strategies and novel chemoprevention agents are needed to complement current cancer therapies to improve efficiency. Naturally occurring compounds from plants known as phytochemicals, serve as vital resources for novel drugs and are also sources for cancer therapy. Some typical examples include taxol analogs, vinca alkaloids such as vincristine, vinblastine, and podophyllotoxin analogs. These phytochemicals often act via regulating molecular pathways which are implicated in growth and progression of cancer. The specific mechanisms include increasing antioxidant status, carcinogen inactivation, inhibiting proliferation, induction of cell cycle arrest and apoptosis; and regulation of the immune system. The primary objective of this review is to describe what we know to date of the active compounds in the natural products, along with their pharmacologic action and molecular or specific targets. Recent trends and gaps in phytochemical based anticancer drug discovery are also explored. The authors wish to expand the phytochemical research area not only for their scientific soundness but also for their potential druggability. Hence, the emphasis is given to information about anticancer phytochemicals which are evaluated at preclinical and clinical level.
}, keywords = {Anticancer, clinical, medicinal plants, phytochemicals, preclinical}, issn = {1663-9812}, doi = {10.3389/fphar.2019.01614}, author = {Choudhari, Amit S. and Mandave, Pallavi C. and Deshpande, Manasi and Ranjekar, Prabhakar and Prakash, Om} } @article {46893, title = {Piezoelectric energy harvesting from a ferroelectric hybrid salt [Ph3MeP](4)[Ni(NCS)(6)] embedded in a polymer matrix}, journal = {Angewandte Chemie-International Edition}, volume = {59}, year = {2020}, month = {JUN }, pages = {10368-10373}, type = {Article}, abstract = {
Organic-inorganic hybrid ferroelectrics are an exciting class of molecular materials with promising applications in the area of energy and electronics. The synthesis, ferroelectric and piezoelectric energy harvesting behavior of a 3d metal ion-containing A(4)BX(6) type organic-inorganic hybrid salt [Ph3MeP](4)[Ni(NCS)(6)] (1) is now presented. P-E hysteresis loop studies on 1 show a remnant ferroelectric polarization value of 18.71 mu C cm(-2), at room temperature. Composite thermoplastic polyurethane (TPU) devices with 5, 10, 15 and 20 wt \% compositions of 1 were prepared and employed for piezoelectric energy harvesting studies. A maximum output voltage of 19.29 V and a calculated power density value of 2.51 mW cm(-3) were observed for the 15 wt \% 1-TPU device. The capacitor charging experiments on the 15 wt \% 1-TPU composite device shows an excellent energy storage performance with the highest stored energies and measured charges of 198.8 mu J and 600 mu C, respectively.
}, keywords = {energy conversion, mechanical properties, non-covalent interactions, organic-inorganic hybrid composites, Phosphorus}, issn = {1433-7851}, doi = {10.1002/anie.202001250, Early Access Date = APR 2020}, author = {Vijayakanth, Thangavel and Ram, Farsa and Praveenkumar, Balu and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {46839, title = {Plant probiotic bacterial endophyte, alcaligenes faecalis, modulates plant growth and forskolin biosynthesis incoleus forskohlii}, journal = {Probiotics and Antimicrobial Proteins}, volume = {12}, year = {2020}, month = {JUN}, pages = {481-493}, type = {Article}, abstract = {
Coleus forskohliiis an herb, well-known for its medicinal compound forskolin present in its roots, with wide range of pharmaceutical applications. Here, we report, for the first time, the role of plant-probiotic bacterial endophytes ofC. forskohlii, CFLB1 and CFRB1, isolated from leaf and root, which regulate plant growth andin plantforskolin content. Native bacterial endophyte, CFRB1 (Alcaligenes faecalis), significantly modulates primary plant productivity and forskolin content under pot and field conditions. Under field conditions, CFRB1 endophyte application significantly enhanced photosynthetic pigments and reduced the severity of root-knot and root rot diseases. Expression analyses of functional genes involved in the forskolin biosynthesis inC. forskohliiplants treated with CFRB1 endophyte under field conditions revealed differential upregulation of fourC. forskohliiditerpene synthases (CfTPSs),CfTPS1,CfTPS2,CfTPS3andCfTPS4, along with cytochrome P450 (CfCYP76AH15) and acyltransferase (CfACT1-8) genes. CFRB1 treatment reduced the severity of nematode infection and root rot inC. forskohliiplants by 81 and 78\%, respectively. Overall, we demonstrate that cross-talk of plant-endophyte interaction inC. forskohliiis beneficial, leading to enhanced forskolin content through modulation of forskolin biosynthetic pathway genes along with increased plant yield and reduced disease incidence. Thus, endophytic isolate,A. faecalis(CFRB1), could be deployed as a novel bio-stimulant for enhancingin plantaforskolin content during cultivation ofC. forskohlii.
}, keywords = {Alcaligenes faecalis, CfACT1-8, CfCYP76AH15, CfTPSs, Coleus forskohlii, Forskolin, Plant-probiotic bacterial endophyte}, issn = {1867-1306}, doi = {10.1007/s12602-019-09582-1}, author = {Mastan, Anthati and Rane, Digeshwar and Dastager, Syed G. and Vivek Babu, Chikkarasanahalli Shivegowda} } @article {46727, title = {Plant-pathogen interactions: microRNA-mediated trans-kingdom gene regulation in fungi and their host plants}, journal = {Genomics}, volume = {112}, year = {2020}, month = {SEP}, pages = {3021-3035}, type = {Article}, abstract = {
MicroRNAs (miRNAs) have been prevalently studied in plants, animals, and viruses. However, recent studies show evidences of miRNA-like RNAs (milRNAs) in fungi as well. It is known that after successful infection, pathogens hijack the host machinery and use it for their own growth and multiplication. Alternatively, resistant plants can overcome the pathogen attack by a variety of mechanisms. Based on this prior knowledge, we computationally predicted milRNAs from 13 fungi, and identified their targets in transcriptomes of the respective fungi as well as their host plants. The expressions of the milRNAs and targets were confirmed using qRT-PCR. We found that plant miRNAs targeted fungal virulence genes, while fungal milRNAs targeted plant resistance genes; corroborating miRNA-mediated trans-kingdom gene regulation and the roles of miRNAs in plantpathogen interactions. Transgenic plants with miRNAs targeting fungal virulence genes, or anti-sense of fungal milRNAs, would be expected to be highly resistant to the fungal pathogens.
}, keywords = {Disease resistance, Fungal miRNAs, qRT-PCR, Resistance genes, Target prediction, Virulence genes}, issn = {0888-7543}, doi = {10.1016/j.ygeno.2020.05.021}, author = {Mathur, Monika and Nair, Aswathy and Kadoo, Narendra} } @article {46955, title = {Plausible diagnostic value of urinary isomeric dimethylarginine ratio for diabetic nephropathy}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {FEB}, pages = {2970}, type = {Article}, abstract = {
Altered circulatory asymmetric and symmetric dimethylarginines have been independently reported in patients with end-stage renal failure suggesting their potential role as mediators and early biomarkers of nephropathy. These alterations can also be reflected in urine. Herein, we aimed to evaluate urinary asymmetric to symmetric dimethylarginine ratio (ASR) for early prediction of diabetic nephropathy (DN). In this cross-sectional study, individuals with impaired glucose tolerance (IGT), newly diagnosed diabetes (NDD), diabetic microalbuminuria (MIC), macroalbuminuria (MAC), and normal glucose tolerance (NGT) were recruited from Dr. Mohans{\textquoteright} Diabetes Specialties centre, India. Urinary ASR was measured using a validated high-throughput MALDI-MS/MS method. Significantly lower ASR was observed in MIC (0.909) and MAC (0.741) in comparison to the NGT and NDD groups. On regression models, ASR was associated with MIC [OR: 0.256; 95\% CI: 0.158-0.491] and MAC [OR 0.146; 95\% CI: 0.071-0.292] controlled for all the available confounding factors. ROC analysis revealed ASR cut-point of 0.95 had C-statistic of 0.691 (95\% CI: 0.627-0.755) to discriminate MIC from NDD with 72\% sensitivity. Whereas, an ASR cut-point of 0.82 had C-statistic of 0.846 (95\% CI: 0.800 - 0.893) had 91\% sensitivity for identifying MAC. Our results suggest ASR as a potential early diagnostic biomarker for DN among the Asian Indians.
}, issn = {2045-2322}, doi = {10.1038/s41598-020-59897-1}, author = {Parmar, Dharmeshkumar and Bhattacharya, Nivedita and Kannan, Shanthini and Vadivel, Sangeetha and Pandey, Gautam Kumar and Ghanate, Avinash and Ragi, Nagarjuna Chary and Prabu, Paramasivam and Pramodkumar, Thyparambil Aravindakshan and Manickam, Nagaraj and Mohan, Viswanathan and Sripadi, Prabhakar and Kuppan, Gokulakrishnan and Panchagnula, Venkateswarlu} } @article {46877, title = {Poly (vinylpyrrolidone)-iodine engineered poly (epsilon-caprolactone) nanofibers as potential wound dressing materials}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {110}, year = {2020}, month = {MAY}, pages = {110731}, type = {Article}, abstract = {
Facilitating the process of wound healing and effective treatment of wounds remains a serious challenge in healthcare. Wound dressing materials play a major role in the protection of wounds and in accelerating the natural healing process. In the present study, novel core/shell (c/s) nanofibrous mats of poly(vinyl pyrrolidone)-iodine (PVPI) and polycaprolactone (PCL) were fabricated using a co-axial electrospinning process followed by their surface modification with poly-L-lysine. The developed nanofibrous mats were extensively characterized for their physicochemical properties using various analytical techniques. The core/shell structure of the PVP-I/PCL nanofibers was confirmed using TEM analysis. The PVP-I release studies showed an initial burst phase followed by a sustained release pattern of PVP-I over a period of 30 days. The developed nanofibers exhibited higher BSA and fibrinogen adsorption as compared to pristine PCL. Cytotoxicity studies using MTT assay demonstrated that the PVP-I/PCL (c/s) nanofibers were cytocompatible at optimized PVP-I concentration (3 wt\%). The PCL-poly-L-lysine and PVP-I/PCL-poly-L-lysine nanofibers exhibited higher cell viability (24.2\% and 21.4\% higher at day 7) when compared to uncoated PCL and PVP-I/PCL nanofibers. The PVP-I/PCL nanofibers showed excellent antimicrobial activity against both Gram-positive (S. aureus) and Gram-negative (E. coli) bacteria. The inflammatory response of Mouse RAW 264.7 macrophage cells towards the nanofibers was studied using RTPCR. It revealed that the pro-inflammatory cytokines (TNF-alpha and IL-1 beta) were significantly upregulated on PCL nanofibers, while their expression was comparatively lower on poly-L-lysine coated PCL or PVP-I/PCL(c/s) nanofibers. Overall, the study highlights the ability of poly-L-lysine coated PVP-I/PCL (c/s) nanofibers as potential wound dressing materials effectively facilitating the early stage wound healing and repair process by virtue of their selective modulation of inflammation, cell adhesion and antimicrobial properties.
}, keywords = {biodegradable, Controlled release, Core/shell, electrospinning, scaffolds, tissue engineering}, issn = {0928-4931}, doi = {10.1016/j.msec.2020.110731}, author = {Shitole, Ajinkya A. and Raut, Piyush and Giram, Prabhanjan and Rade, Priyanka and Khandwekar, Anand and Garnaik, Baijayantimala and Sharma, Neeti} } @article {46666, title = {Polymer nanorings with uranium specific clefts for selective recovery of uranium from acidic effluents via reductive adsorption}, journal = {ACS Sensors}, volume = {5}, year = {2020}, month = {OCT}, pages = {3254-3263}, type = {Article}, abstract = {
Nanostructured polymeric materials, functionalized with an appropriate receptor, have opened up newer possibilities for designing a reagent that shows analyte-specific recognition and efficient scavenging of an analyte that has either a detrimental influence on human physiology and environment or on its recovery for further value addition. Higher active surface area, morphological diversity, synthetic tunability for desired surface functionalization, and the ease of regeneration of a nanostructured material for further use have provided such materials with a distinct edge over conventional reagents. The use of a biodegradable polymeric backbone has an added significance owing to the recent concern over the impact of polymers on the environment. Functionalization of biodegradable sodium alginate with AENA (6.85\% grafting) as the receptor functionality led to a unique open framework nanoring (NNRG) morphology with a favorable spatial orientation for specific recognition and efficient binding to uranyl ions (U) in an aqueous medium over a varied pH range. Nanoring morphology was confirmed by transmission electron microscopy and atomic force microscopy images. The nanoscale design maximizes the surface area for the molecular scavenger. A combination of all these features along with the reversible binding phenomenon has made NNRG a superior reagent for specific, efficient uptake of UO22+ species from an acidic (pH 3-4) solution and compares better than all existing UO22+-scavengers reported till date. This could be utilized for the recovery of uranyl species from a synthetic acidic effluent of the nuclear power. The results of the U uptake experiments reveal a maximum adsorption capacity of 268 mg of U per g of NNRG in a synthetic nuclear effluent. X-ray photoelectron spectroscopy studies revealed a reductive complexation process and stabilization of U(IV)-species in adsorbed uranium species (U@NNRG).
}, keywords = {biodegradable polymeric backbone, molecular recognition, nanostructured material, sodium alginate, uranium, uranyl-specific receptor}, issn = {2379-3694}, doi = {10.1021/acssensors.0c01684}, author = {Kushwaha, Shilpi and Mane, Manoj and Ravindranathan, Sapna and Das, Amitava} } @article {46840, title = {Porphyrin-based conducting polymer hydrogel for supercapacitor application}, journal = {Energy Technology}, volume = {8}, year = {2020}, month = {JUN}, pages = {2000061}, type = {Article}, abstract = {
Herein, the electrochemical properties and energy storage capability of a flexible, all-solid-state supercapacitor based on the supramolecular assembly of polypyrrole (PPy) and the anion of 5,10,15,20-tetrakis(4-sulfonatophenyl)-21H,23H-porphine manganese(III) chloride (MnTSPP) are reported. The electrode material consists of a conductive polymer hydrogel formed through the gelation initiated by cross-linking of the dopant MnTSPP anion in the PPy chains. The morphology of the cross-linked polymer hydrogel is that of a particle-decorated nanofiber, which can perform as a flexible supercapacitor electrode material with a specific capacitance of 300 Fg(-1) and capacitance retention of 78\% up to 10 000 cycles. The anion of MnTSPP plays a pivotal role in enhancing the charge storage capability by facilitating the electron transfer between the polymer interchains. In addition, the steric hindrance due to the large size of the dopant counter ions of MnTSPP reduces the counterion drain effect and structural pulverization of PPy, thereby improving the capacitive retention.
}, keywords = {conductive hydrogels, energy storage devices, Flexible Supercapacitors, nanofibers, porphyrin-based polymers}, issn = {2194-4288}, doi = {10.1002/ente.202000061}, author = {Das, Debasree and Kurungot, Sreekumar} } @article {46723, title = {Possible role of glycation in the regulation of amyloid beta precursor protein processing leading to amyloid beta accumulation}, journal = {Medical Hypotheses}, volume = {142}, year = {2020}, month = {SEP}, pages = {109799}, type = {Article}, abstract = {
Alzheimer{\textquoteright}s disease (AD) is one of the most common forms of neurodegenerative diseases amongst the aged population. The disease is multifactorial, and diabetes has been considered as one of the major risk factors for the development of AD. Chronic hyperglycemic condition in diabetes promotes non-enzymatic protein modification by glucose termed as glycation, which affects protein structure and function. Previous studies have shown that many of the enzymes, including proteases, are affected by glycation. Conversely, glycated proteins are known to become resistant to protease action. In these hypotheses, we have extended these two concepts to the regulation of amyloid-beta protein precursor (A beta PP) by secretases leading to amyloid-beta (Af3) accumulation. The first hypothesis deals with the glycation of alpha-secretases leading to its reduced activity, while in the second hypothesis, A beta PP glycation may prevent a-secretases action, rendering its processing by beta secretase. As diabetes is a risk factor for the development of AD, either or both these pathways may operate, leading to the manifestation of AD.
}, keywords = {Alpha-secretase, Alzheimer {\textquoteleft}s disease, Amyloid-beta, Amyloid-beta protein precursor, Beta-secretase, Diabetes, glucose, Glycation, Type-3 diabetes}, issn = {0306-9877}, doi = {10.1016/j.mehy.2020.109799}, author = {Patil, Gouri V. and Joshi, Rakesh S. and Kazi, Rubina S. and Kulsange, Shabda E. and Kulkarni, Mahesh J.} } @article {47339, title = {Potential of myo-inositol as a starting material for natural product synthesis}, journal = {Journal of the Indian Chemical Society}, volume = {97}, year = {2020}, month = {FEB}, pages = {177-185}, type = {Article}, abstract = {
Phosphorylated derivatives of myo-inositol are involved in various cellular processes and they are crucial for the survival of cells. Discoveries related to these biological aspects revived the interest in the chemistry of inositols, since derivatives and analogs of phosphoinositols were required as molecular tools for the delineation of the myo-inositol cycle in eukaryotic cells. Extensive research on the chemistry of inositols in the last 3-4 decades encouraged organic chemists to explore the use of myo-inositol, the most abundantly available inositol, as a starting material for the synthesis of natural products. This article is an attempt to review the progress in this area of synthetic chemistry and identify aspects that need to be addressed to increase the potential of myo-inositol as a starting material for natural product synthesis.
}, author = {Shashidhar, Mysore and Patil, Nivedita} } @article {46720, title = {Prediction of survival rate and effect of drugs on cancer patients with somatic mutations of genes: an AI-based approach}, journal = {Chemical Biology \& Drug Design}, volume = {96}, year = {2020}, month = {SEP}, pages = {1005-1019}, type = {Article}, abstract = {
The causal role of somatic mutation and its interrelationship with gene expression profile during tumor development has already been observed, which plays a major role to decide the cancer grades and overall survival. Accurate and robust prediction of tumor grades and patients{\textquoteright} overall survival are important for prognosis, risk factors identification and betterment of the treatment strategy, especially for highly lethal tumors, like gliomas. Here, with the help of more accurate and widely used machine learning-based approaches, we propose an integrative computational pipeline that incorporates somatic mutations and gene expression profile for survival and grade prediction of glioma patients and simultaneously relates it to the drugs to be administered. This study gives us a clear understanding that the same drug is not effective for the treatment of same grade of cancer if the gene mutations are different. The alteration in a specific gene plays a very important role in tumor progression and should also be considered for the selection of appropriate drugs. This proposed framework includes all the necessary factors required for enhancement of therapeutic designs and could be useful for clinicians in determining an accurate and personalized treatment strategy for individual patients suffering from different life threatening diseases.
}, keywords = {gene expression and copy number variation, gliomas, grade and survival prediction, machine learning strategy, significant gene prediction and effect of drugs, somatic mutation}, issn = {1747-0277}, doi = {10.1111/cbdd.13668}, author = {Saurabh, Rochi and Nandi, Sutanu and Sinha, Noopur and Shukla, Mudita and Sarkar, Ram Rup} } @article {46612, title = {Preparation, spectroscopic characterization, theoretical investigations, and in vitro anticancer activity of Cd(II), Ni(II), Zn(II), and Cu(II) complexes of 4(3H)-quinazolinone-derived schiff base}, journal = {Molecules}, volume = {25}, year = {2020}, month = {DEC}, pages = {5973}, type = {Article}, abstract = {
Herein, we report the synthesis and characterization of a new Schiff base ligand 3-[[(E)-(3-hydroxyphenyl)-methylidene]amino]-2-methyl-quinazolin-4(3 H)-one (HAMQ) and its Cd(II), Ni(II), Zn(II), and Cu(II) complexes (C-1-C-4). The ligand HAMQ was synthesized by reacting 3-hydroxybenzaldehyde and 3-amino-2-methyl-4(3H)-quinazolinone in a 1:1 molar ratio. The structure of the ligand and its complexes (C-1-C-4) were evaluated using ultraviolet (UV)-visible (Vis) light spectroscopy, H-1-NMR, Fourier-transform infrared (FT-IR) spectroscopy, MS, elemental analysis, conductance data, and thermogravimetric analysis (TGA). The characterization results suggested that the bidentate ligand, HAMQ, coordinated to the metal center through the lactum oxygen and the azomethine nitrogen. Moreover, all the metal complexes were analyzed using powder X-ray diffraction studies, which revealed that all of them belong to a triclinic crystal system. The research was supplemented by density functional theory (DFT) studies on the IR and UV-Vis spectra, as well as the chemical reactivity of the HAMQ and its four metallic derivatives making use of conceptual density functional theory (CDFT) by means of KID (Koopmans in DFT) methodology. The synthesized complexes displayed significant in vitro anticancer activity against human cancer cell lines (HeLa and HCT-115).
}, keywords = {3-quinolin-4(3H)-one, chemical reactivity properties, conceptual DFT, Metal complexes, spectral studies}, doi = {10.3390/molecules25245973}, author = {Ashok, Ubale Panchsheela and Kollur, Shiva Prasad and Anil, Nishad and Arun, Bansode Prakash and Jadhav, Sanjay Namdev and Sarsamkar, Sanjay and Helavi, Vasant Baburao and Srinivasan, Asha and Kaulage, Sandeep and Veerapur, Ravindra and Al-Rashed, Sarah and Syed, Asad and Ortega-Castro, Joaquin and Frau, Juan and Flores-Holguin, Norma and Glossman-Mitnik, Daniel} } @article {46632, title = {Process development for 6-aminopenicillanic acid production using lentikats-encapsulated escherichia coli cells expressing penicillin V acylase}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {NOV }, pages = {28972-28976}, type = {Article}, abstract = {
Penicillin V acylase (PVA, EC 3.5.1.11) hydrolyzes the side chain of phenoxymethylpenicillin (Pen V) and finds application in the manufacture of the pharmaceutical intermediate 6-aminopenicillanic acid (6-APA). Here, we report the scale-up of cultivation of Escherichia coli whole cells expressing a highly active PVA from Pectobacterium atrosepticum and their encapsulation in polyvinyl alcohol-poly(ethylene glycol) Lentikats hydrogels. A biocatalytic process for the hydrolysis of 2\% (w/v) Pen V was set up in a 2 L reactor using the Lentikats-immobilized whole cells, with a customized setup to enable continuous downstream processing of the reaction products. The biocatalytic reaction afforded complete conversion of Pen V for 10 reaction cycles, with an overall 90\% conversion up to 50 cycles. The bioprocess was further scaled up to the pilot-scale at 10 L, enabling complete conversion of Pen V to 6-APA for 10 cycles. The 6-APA and phenoxy acetic acid products were recovered from downstream processing with isolated yields of 85-90 and 87-92\%, respectively. Immobilization in Lentikats beads improved the stability of the whole cells on storage, maintaining 90-100\% activity and similar conversion efficiency after 3 months at 4 degrees C. The robust PVA biocatalyst can be employed in a continuous process to provide a sustainable route for bulk 6-APA production from Pen V.
}, issn = {2470-1343}, doi = {10.1021/acsomega.0c02813}, author = {Sawant, Amol M. and Sunder, Avinash Vellore and Vamkudoth, Koteswara Rao and Ramasamy, Sureshkumar and Pundle, Archana} } @inbook {47304, title = {Protein misfolding and aggregation of tau protein in alzheimer{\textquoteright}s disease}, booktitle = {Advances in Bioengineering}, year = {2020}, pages = {139-146}, publisher = {Springer}, organization = {Springer}, abstract = {
Protein misfolding has interestingly been referred to as the {\textquoteleft}dark side{\textquoteright} of the protein world. The cytotoxicity of misfolded and unfolded polypeptides is due to an overwhelmed quality control system, mainly comprising molecular chaperones to assist in folding, the unfolded protein response (UPR) in the endoplasmic reticulum and the heat shock response (HSR) in the cytosol, which are aimed at clearing misfolded proteins and their early aggregates. When misfolded/unfolded polypeptides exceed the quality control measures of the chaperone{\textendash}ubiquitin{\textendash}proteasome clearing system, they form toxic pre-fibrillar aggregates which interact with the cell membrane, disrupting redox potential due to aggregate organization into non-specific membrane pores. In most cases, increases in intracellular free Ca{\texttwosuperior}$^{+}$ and consequent disruption of the redox potential are among the earliest biochemical alterations in exposed cells. An improved understanding of the mechanisms of protein misfolding and intermediate structures that lead from monomers to oligomers ready to aggregate could provide crucial impetus to therapeutic interventions such as upregulating molecular chaperone machinery, use of antibodies and high throughput screening of promising candidate molecules.
}, doi = {10.1007/978-981-15-2063-1_8}, author = {Chandrashekar, Madhura and Chinnathambi, Subashchandrabose} } @article {46762, title = {Proteomic analysis detects deregulated reverse cholesterol transport in human subjects with ST-segment elevation myocardial infarction (vol 222, 103796, 2020)}, journal = {Journal of Proteomics}, volume = {224}, year = {2020}, month = {JUL}, pages = {103828}, type = {Correction}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.103828}, author = {Das, Apabrita Ayan and Choudhury, Kamalika Roy and Jagadeeshaprasad, M. G. and Kulkarni, Mahesh J. and Mondal, Prakash Chandra and Bandyopadhyay, Arun} } @article {46810, title = {Proteomic analysis detects deregulated reverse cholesterol transport in human subjects with ST-segment elevation myocardial infarction}, journal = {Journal of Proteomics}, volume = {222}, year = {2020}, month = {JUN}, pages = {103796}, type = {Article}, abstract = {
Reverse cholesterol transport (RCT) plays a critical role in removing cholesterol from the arterial wall. However, very few reports directly relate chronic inflammation and RCT with atherosclerosis. The present study was undertaken to investigate clinical implications of significantly altered circulating proteins in subjects with ST-segment elevation myocardial infarction (STEMI) in the manifestation of atherosclerotic events. Using a casecontrol design, more than 2500 proteins in both STEMI and healthy control subjects were identified by Orbitrap mass spectrometer. Quantitative proteomics study revealed downregulation of 26 proteins while expression of 38 proteins increased significantly in STEMI subjects compared to healthy controls. Pathway enrichment analyses indicated that most of the identified proteins were related to chronic inflammation, atherosclerosis, and RCT. Altered proteins such as AZGP1, ABCA5, Calicin, PGLYRP2, HAVCR2 and C17ORF57 were further validated by Western blotting analysis of human plasma. Pathophysiological significance was studied using macrophage derived foam cell for their critical role in RCT which indicated the imbalance of RCT via the interaction of AZGP1 with CD36. In summary, this study revealed a unique relationship of some novel proteins apparently responsible for impaired RCT and chronic inflammation leading to atherothrombosis and myocardial infarction. Significance: In the present study we identified \>= 2500 unique circulating proteins in healthy control and clinically diagnosed STEMI subjects among which 423 proteins were found to be common in both the groups. We further show 64 proteins significantly different between healthy control and STEMI subjects. Proteomic analyses reveal a panel of proteins associated with atherosclerosis and STEMI. One of the proteins, AZGP1, an adipokine, is likely to act as the missing link between chronic inflammation and cholesterol transport. Deregulation of reverse cholesterol transport might be orchestrated by AZGP1, CD36, ABCA5, and PPARy in STEMI subjects. The present study employs shotgun and quantitative proteomics followed by in vitro validations demonstrating a biochemical basis for reverse cholesterol transport in the local milieu of the luminal wall of the artery which are critical for plaque build-up and atherosclerosis.
}, keywords = {Atherosclerosis, AZGP1, CD36, Plasma proteomics, Reverse cholesterol transport, STEMI}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.103796}, author = {Das, Apabrita Ayan and Choudhury, Kamalika Roy and Jagadeeshaprasad, M. G. and Kulkarni, Mahesh J. and Mondal, Prakash Chandra and Bandyopadhyay, Arun} } @article {46651, title = {Protonation-induced dynamic allostery in PDZ domain: evidence of perturbation-independent universal response network}, journal = {Journal of Physical Chemistry Letters}, volume = {11}, year = {2020}, month = {NOV }, pages = {9026-9031}, type = {Article}, abstract = {
Dynamic allostery is a relatively new paradigm where certain external perturbations may lead to modulation of conformational dynamics at a distant part of a protein without significant changes in the overall structure. While most well-characterized examples of dynamic allostery involve binding with other entities like small molecules, peptides, or nucleic acids, in this work we demonstrate that chemical modifications like protonation may lead to significant dynamical allosteric response in a PDZ domain protein. Tuning the protonation states of two histidine residues (H317 and H372), we identify the allosteric pathways responsible for the dynamic response. Interestingly, the same set of residues that constitute the allosteric response network upon ligand binding seem to be responsible for protonation-induced dynamic allostery. Thus, we propose the existence of an inherent universal response network in signaling proteins, where the same set of residues can respond to varying types of external perturbations in terms of rearrangement of hydrogen-bonded network and redistribution of electrostatic interaction energies.
}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.0c02885}, author = {Kumawat, Amit and Chakrabarty, Suman} } @article {46855, title = {PVDF/BaTiO3 films with nanocellulose impregnation: investigation of structural, morphological and mechanical properties}, journal = {Journal of Alloys and Compounds}, volume = {823}, year = {2020}, month = {MAY}, pages = {153701}, type = {Article}, abstract = {
Polyvinylidene fluoride (PVDF) composite films have witnessed widespread applications in biomedical and flexible electronic devices in recent years. These applications require a material that has enhanced electrical properties, mechanical flexibility along with sufficient strength. A lot of research has been carried out to enhance the piezoelectric and dielectric properties of the PVDF composite films. However, the improvements in the mechanical properties of nano filler reinforced PVDF composite films has not received due attention. In this regard, the present work focuses towards enhancing the mechanical strength and load-bearing capability of PVDF, by preparing composites of PVDF films impregnated with Cellulose Nanocrystals (CNC) and Barium Titanate (BTO) nanoparticles. Solution casting method was adapted to fabricate the PVDF/BTO/CNC films. X-ray diffractograms and FTIR (Fourier Transform infrared spectroscopy) corroborate the presence of ferroelectric gamma phase in PVDF. Mechanical and viscoelastic measurements have been carried out to examine the influence of CNC and BTO nano fillers in the PVDF matrix. The addition of CNC and BTO in PVDF film has improved the mechanical strength significantly. The stress achieved for PVDF/5\% BTO and PVDF/5\% BTO with 0.9\% of CNC at 5\% strain was 17\% and 130\% higher than the pristine PVDF, respectively. This study can be helpful for the design engineers to meet custom/specific requirements for a myriad of end- user applications such as piezoelectric nanogenerators. (C) 2020 Elsevier B.V. All rights reserved.
}, keywords = {BaTiO3, Composite films, Mechanics, Morphology, Nanocellulose, PVDF}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2020.153701}, author = {Ram, Farsa and Kaviraj, P. and Pramanik, R. and Krishnan, Amrutha and Shanmuganathan, Kadhiravan and Arockiarajan, A.} } @article {46607, title = {Radical rearrangement of aryl/alkylidene malononitriles via aza michael addition/decynoformylation/addition sequence: an access to alpha-aminonitriles and alpha-aminoamides}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {DEC }, pages = {14858-14865}, type = {Article}, abstract = {
An efficient, safe, and environmentally friendly tertiary butyl hydrogen peroxide (TBHP)-mediated rearrangement of aryl/alkylidene malononitrile with anilines has been developed with in situ generation of HCN as the cyanide source for the synthesis of substituted alpha-aminonitriles and alpha-aminoamide. A diverse set of alpha-aminonitriles and alpha-aminoamides was efficiently synthesized in good to excellent yields. This method features a broad substrate scope and good functional group tolerance, and the in situ-generated HCN bypasses the use of an external cyanide source.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c01358}, author = {Bhoite, Shubhangi P. and Bansodes, Ajay H. and Suryavanshi, Gurunath} } @article {46822, title = {Rapid synthesis of zwitterionic phosphonium benzoates by a three-component coupling involving phosphines, arynes and CO2}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {JUL}, pages = {2203-2207}, type = {Article}, abstract = {
A mild and easy to perform multicomponent coupling involving phosphines, arynes generated from 2-(trimethylsilyl)aryl triflates, and CO(2)allowing the transition-metal-free synthesis of zwitterionic phosphonium benzoates has been developed. The reaction proceeds via the generation of 1 : 1 zwitterionic intermediates from phosphines and arynes followed by the interception with CO(2)to deliver the carboxylates in moderate to good yields instead of the anticipated benzooxaphosphol-3(1H)-ones.
}, keywords = {arynes, Carbon dioxide, multicomponent coupling, Phosphines, zwitterions}, issn = {1861-4728}, doi = {10.1002/asia.202000610, Early Access Date = JUN 2020}, author = {Bhattacharjee, Subrata and Raju, Anjali and Gaykar, Rahul N. and Gonnade, Rajesh G. and Roy, Tony and Biju, Akkattu T.} } @article {46997, title = {Rational synthesis of 10GDC electrolyte through a microwave irradiation GNP facile route for SOFC applications}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN}, pages = {3020-3028}, type = {Article}, abstract = {
The gadolinium-doped ceria Gd0.1Ce0.9O1.95 (10GDC) powder was synthesized using a microwave-synthesized glycine nitrate process (MS-GNP). The powder was subsequently pressed into circular pellets and sintered at various temperatures viz. 800, 900, 1000 and 1200 degrees C, in a microwave, high temperature furnace for 4 h so as to investigate the effect of the sintering temperature and sintering environment on the structural, morphological, thermal and electrical properties. The crystallite size and particle size as observed from X-Ray Diffraction (XRD) and Field Emission Scanning Electron Microscopy (FESEM) are found to be in the range of 15-28 nm and 12-20 nm, respectively. The electrochemical impedance spectroscopy (EIS) analysis was carried out to study the electrochemical properties during the cooling cycle from 400 degrees C to 800 degrees C. The highest value of ionic conductivity (3.55 x 10(-1) S cm(-1)) is observed at an operating temperature of 800 degrees C and O-2 gas partial pressure of 1 atm. Further, it is observed that the sintering temperature has a significant effect on the surface morphology and crystallite size, thereby improving the electrical performance of the samples. Though 20GDC was used as an electrolyte in the authors{\textquoteright} previous study, the novelty of the present work is the synthesis of 10GDC using a microwave-assisted glycine nitrate process and the size (thickness) of the prepared electrolyte for use in a Solid Oxide Fuel Cell (SOFC), which plays a major role in enhancing the structural, morphological and electrochemical properties with respect to different sintering temperatures as compared to the reported data. Hence, the prepared 10GDC electrolyte may be treated as one of the promising candidates as an electrolyte for SOFC for intermediate as well as high temperature applications.
}, doi = {10.1039/c9ra09476h}, author = {Shaikh, S. P. S. and Rode, V, Chandrashekhar} } @article {47017, title = {Recent advances in plant nanobionics and nanobiosensors for toxicology applications}, journal = {Current Nanoscience}, volume = {16}, year = {2020}, month = {JAN}, pages = {27-41}, type = {Review}, abstract = {
Emerging applications in the field of nanotechnology are able to solve a gamut of problems surrounding the applications of agroecosystems and food technology. Nano Engineered Material (NEM) based nanosensors are important tools for monitoring plant signaling pathways and metabolism that arc nondestructive, minimally invasive, and can provide real-time analysis of biotic and abiotic threats for better plant health. These sensors can measure chemical flux even at the single molecule level. Therefore, plant health could be monitored through nutrient management, disease assessment, plant hormones level, environmental pollution, etc. This review provides a comprehensive account of the current trends and practices for the proposed NEM related research and its (i) structural aspect, (ii) experimental design and performance as well as (iii) mechanisms of field application in agriculture and food system. This review also discusses the possibility of integration of data from NEM based nanosensors in current and emerging trends of precision agriculture, urban farming, and plant nanobionics to adopt a sustainable approach in agriculture,
}, keywords = {agro-ecosystems, engineered nanomaterials, nanobionics, Nanosensors, nanotechnology, nanotoxicology}, issn = {1573-4137}, doi = {10.2174/1573413715666190409101305}, author = {Ansari, Mohammad Hasan Dad and Lavhale, Santosh and Kalunke, Raviraj M. and Srivastava, Prabhakar L. and Pandit, Vaibhav and Gade, Subodh and Yadav, Sanjay and Laux, Peter and Luch, Andreas and Gemmati, Donato and Zamboni, Paolo and Singh, Ajay Vikram} } @article {46703, title = {Reduction of trap and polydispersity in mutually passivated quantum dot solar cells}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {SEP}, pages = {8903-8911}, type = {Article}, abstract = {
Control over surface passivation is a key to manage the optoelectronic properties in low-dimensional nanomaterials because of their high surface-to-volume ratios. Tunable band gap quantum dots (QDs) are a potential building block for the development of optoelectronic devices like solar cells, photodetectors, and light-emitting diodes. Long and insulating surface ligands of colloidally synthesized QDs are exchanged by short ligands to attain compact arrangement in thin films to facilitate the charge transport process. However, the ligand exchange process often resulted in reduced surface passivation, inhomogeneous QD fusion, and deterioration of energy band gap, which adversely impact their performance in solar cells. Here, we introduce a surface passivation strategy where the QDs are mutually passivated by the organic ligand 3-methyl mercapto propionate and inorganic halometallate ligands to develop a conducting QD ink. The mutually passivated QDs (MPQDs) show significant improvement in optoelectronic properties in maintaining the trap-free energy band gap and size monodispersity. The photovoltaic performance of MPQDs shows a 33\% average increase in power conversion efficiency (PCE) over the conventional halometallate passivation to attain 9.6\% PCE in MPQD solar cells. The improvements in photovoltaic parameters are corroborated by the reduction in density of the intermediate trap states and an increase in depletion width and diffusion length in MPQD-based solar cells.
}, keywords = {polydispersity, quantum dot, solar cells, surface passivation, trap states}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01378}, author = {Sharma, Ashish and Mahajan, Chandan and Rath, Arup K.} } @article {46788, title = {Relativistic coupled-cluster study of BaF in search of CP violation}, journal = {Journal of Physics B-Atomic Molecular and Optical Physics}, volume = {53}, year = {2020}, month = {JUL}, pages = {135102}, type = {Article}, abstract = {
BaF is one of the potential candidates for the experimental search of the electric dipole moment of the electron (eEDM). The NL-eEDM collaboration is building a new experimental set up to measure the eEDM using the BaF molecule (The NL-eEDM collaboration, 2018 Eur. Phys. J. D 72: 197). To analyze the results of such an experiment, one would require the accurate value of the molecular P, T-odd interaction parameters that cannot be measured from any experiment. In this work, we report the precise value of the P, T-odd interaction parameters of the BaF molecule obtained from the four-component relativistic coupled-cluster calculations. We also calculate the hyperfine structure (HFS) constants of the same molecule to assess the reliability of the reported molecular parameters. The calculated HFS constants show good agreement with the available experimental values. Further, the systematic effects of electron-correlation along with the roles of inner-core electrons and the virtual energy functions in the calculation of the studied properties of BaF are investigated.
}, keywords = {electric dipole moment of the electron, electron-correlation, Relativistic effects}, issn = {0953-4075}, doi = {10.1088/1361-6455/ab84c8}, author = {Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {46927, title = {Relativistic double-ionization equation-of-motion coupled-cluster method: application to low-lying doubly ionized states}, journal = {Journal of Chemical Physics}, volume = {152}, year = {2020}, month = {MAR}, pages = {104302}, type = {Article}, abstract = {
This article deals with the extension of the relativistic double-ionization equation-of-motion coupled-cluster (DI-EOMCC) method [H. Pathak et al. Phys. Rev. A 90, 010501(R) (2014)] for the molecular systems. The Dirac-Coulomb Hamiltonian with four-component spinors is considered to take care of the relativistic effects. The implemented method is employed to compute a few low-lying doubly ionized states of noble gas atoms (Ar, Kr, Xe, and Rn) and Cl-2, Br-2, HBr, and HI. Additionally, we presented results with two intermediate schemes in the four-component relativistic DI-EOMCC framework to understand the role of electron correlation. The computed double ionization spectra for the atomic systems are compared with the values from the non-relativistic DI-EOMCC method with spin-orbit coupling [Z. Wang et al. J. Chem. Phys. 142, 144109 (2015)] and the values from the National Institute of Science and Technology (NIST) database. Our atomic results are found to be in good agreement with the NIST values. Furthermore, the obtained results for the molecular systems agree well with the available experimental values.
}, issn = {0021-9606}, doi = {10.1063/1.5140988}, author = {Pathak, Himadri and Sasmal, Sudip and Talukdar, Kaushik and Nayak, Malaya K. and Veval, Nayana and Pal, Sourav} } @article {46857, title = {Removal of fluoride from aqueous solution by mesoporous silica nanoparticles functionalized with chitosan derived from mushroom}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {57}, year = {2020}, month = {SEP }, pages = {619-627}, type = {Article}, abstract = {
In the present study, chitosan functionalized mesoporous silica nanoparticles have been synthesized. Chitosan derived from an edible mushroom, Agaricus bisporus was used during synthesis of chitosan functionalized silica nanoparticles. The functionalized silica nanoparticles were subjected to fluoride sorption using a batch method which subsequently showed removal efficiency of 95\% with maximum sorption capacity, 58.8 mg/g. The characterization of nanoparticles was carried out by SEM, EDAX, XRD and FTIR analysis respectively. EDAX analysis suggested that oxygen, 51.83\% and silica 37.24\% was main constituent of the functionalized nanomaterials. XRD yielded characteristic diffraction pattern corresponding to the lattice planes (100), (110), (112), (120), (200) and (220) respectively. Sorption data was used to study equilibrium isotherm namely Langmuir and Freundlich model. The adsorption capacity increased with temperature while kinetics studies revealed that the adsorption process followed a pseudo-second-order rate equation. The enthalpy change (Delta H) and entropy change (Delta S) was found to be -31.36 kJmol(-1) and -7.75 Jmol(-1) K-1, showing endothermic and spontaneous nature of the fluoride adsorption. Data suggested that the nature of adsorption belonged to chemisorptions. The overall results suggested that the synthesized nanoparticles showed strong and specific affinity for fluoride and could be excellent adsorbents for defluoridation.
}, keywords = {Adsorption, Chitosan, EDAX, Fluoride, SEM}, issn = {1060-1325}, doi = {10.1080/10601325.2020.1738896, Early Access Date = MAY 2020}, author = {Srivastava, Anushree and Kumari, Madhu and Ramanathan, Alagappan and Selvaraj, Kaliaperumal and Prasad, Bablu and Prasad, Kumar Suranjit} } @article {46797, title = {Renewing polyethylene: insertion copolymerization of sugar derived hydrophilic monomers with ethylene}, journal = {European Polymer Journal}, volume = {134}, year = {2020}, month = {JUL }, pages = {109775}, type = {Article}, abstract = {
Although highly desirable, insertion copolymerization of renewable resource derived functional olefins with ethylene has been rarely investigated. Herein, we report insertion copolymerization of challenging sugar derived isohexide mono-enes with ethylene in the presence of Pd-phosphinesulfonate acetonitrile catalyst (C1). Thus, copolymerization of ethylene with isomannide mono-ene (2a), isosorbide mono-ene (2b{\textquoteright}), isoidide mono-ene (2c) and methacryl-2,3,4,6-tetra-O-acetyl-D glucopyranoside (2d) afforded corresponding functionalized polyethylene (P2a-1 to P2d-1). High temperature proton NMR investigations revealed enchainment of 2a-2c in polyethylene backbone and the highest incorporation of 1.45\% was observed for 2c. The high temperature proton NMR results were further corroborated by solid state C-13 NMR and IR spectroscopy. Gel permeation chromatography analysis displayed weight average molecular weight in the range of 13.0-27.2 x 10(3) g/mol. The thus prepared copolymers revealed melting temperature in the range of 117-126 degrees C. Relatively reduced melting temperature compared to neat polyethylene may suggest an irregular arrangement of pendant functional group on polyethylene main chain.
}, keywords = {Hydrophilic polyethylene, insertion copolymerization, Isohexide mono-enes, Polyethylene, Sugar}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2020.109775}, author = {Rajput, Bhausaheb S. and Pawal, Sandip B. and Bodkhe, V. Dnyaneshwar and Rao, I. Nagamalleswara and Sainath, Annadanam V. Sesha and Chikkali, Samir H.} } @article {47453, title = {Reply to {\textquotedblleft}comment on {\textquoteleft}arresting an unusual amide tautomer using divalent cations{\textquoteright}{\textquotedblright}}, journal = {Journal of Physical Chemistry B}, volume = {125}, year = {2020}, month = {DEC}, pages = {479{\textendash}483}, type = {Article}, abstract = {
In our publication, we assigned the blue-shifted shoulder of\ N-methylacetamide (NMA) in the infrared (IR) spectrum (\~{}1645 cm{\textendash}1) to an iminolate tautomer stabilized in the presence of divalent metal cations (e.g., 5 M Ca2+).(1)\ Cremer and co-workers comment that this shoulder arises from the dehydration of the amide oxygen upon interaction with the metal cations.(2,3)\ Their assignment is based on three interesting experimental observations: (1) the IR spectrum of\ 15N-isotope-labeled NMA does not show any considerable red-shift compared to that of NMA; (2) a new peak appears for NMA at 1680 cm{\textendash}1\ in the presence of 1 M DCl, which shows a 17 cm{\textendash}1\ red-shift for\ 15N-labeled NMA; and (3) the IR spectrum of acetone C=O stretch also demonstrates a blue-shifted shoulder in the presence of a high concentration of CaCl2.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c06005}, author = {Kashid, Somnath M. and Singh, Reman K. and Kwon, Hyejin and Seol, Jin Gyu and Kim, Yung Sam and Mukherjee, Arnab and Bagchi, Sayan} } @article {46773, title = {Residue-based propensity of aggregation in the Tau amyloidogenic hexapeptides AcPHF6*and AcPHF6}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JUL}, pages = {27331-27335}, type = {Article}, abstract = {
In Alzheimer{\textquoteright}s disease and related tauopathies, the aggregation of microtubule-associated protein, Tau, into fibrils occursviathe interaction of two hexapeptide motifs PHF*(275)VQIINK(280)and PHF(306)VQIVYK(311)as beta-sheets. To understand the role of the constituent amino acids of PHF and PHF* in the aggregation, a set of 12 alanine mutant peptides was synthesized by replacing each amino acid in PHF and PHF* with alanine and they were characterized by nuclear magnetic resonance (NMR) spectroscopy, circular dichroism (CD), transmission electron microscopy (TEM) and ThS/ANS fluorescence assay. Our studies show that while the aggregation was suppressed in most of the alanine mutant peptides, replacement of glutamine by alanine in both PHF and PHF* enhanced the fibrillization.
}, doi = {10.1039/d0ra03809a}, author = {Dangi, Abha and Balmik, Abhishek Ankur and Ghorpade, Archana Kisan and Gorantla, Nalini Vijay and Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose and Marelli, Udaya Kiran} } @article {46763, title = {Review of porous adsorbents for the separation of nitrogen from natural gas}, journal = {Industrial \& Engineering Chemistry Research}, volume = {59}, year = {2020}, month = {JUL}, pages = {13355-13369}, type = {Review}, abstract = {
Natural gas is one of the critical fossil fuel sources in the world to fulfill current energy demand in the global market. Methane is the primary component in natural gas and its concentration is dependent on the source; a variety of impurities, such as nitrogen, carbon dioxide, oxygen, helium, hydrogen sulfide, water, and heavier hydrocarbons can be present, which reduces the overall fuel quality. Purification of natural gas is important in order to meet the U.S. pipeline and minimum heating value specifications. The separation of nitrogen from methane is challenging because of their similar molecular size (i.e., the two gases differ in kinetic diameter by only 0.16 angstrom). This Review discusses different methods for separating nitrogen from methane. Of these methods, pressure swing adsorption is one of the most effective techniques for separating nitrogen from natural gas using porous adsorbents, and encouraging results have been demonstrated in the past few decades. Many types of porous adsorbents are discussed here, including carbon molecular sieves, activated carbons, zeolites, titanosilicates, and metal-organic frameworks. Future trends and materials are discussed to put into perspective the new opportunities in this research area.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.0c02730}, author = {Nandanwar, Sachin U. and Corbin, David R. and Shiflett, Mark B.} } @article {47020, title = {Rheological quantification of the extent of dissolution of ultrahigh molecular weight polyethylene in melt-compounded blends with high density polyethylene}, journal = {Journal of Rheology}, volume = {64}, year = {2020}, month = {JAN}, pages = {1-12}, type = {Article}, abstract = {
Melt compounding of ultrahigh molecular weight polyethylene (UHMWPE) with high density polyethylene (HDPE) promises to be an alternative route to prepare bimodal polyethylene grades. However, complete dissolution of UHMWPE in HDPE cannot be guaranteed during melt compounding. Indeed, in an earlier work [K. Chaudhuri et al., Polym. Eng. Sci. 59, 821-829 (2019)], it was shown that a fully entangled UHMWPE did not mix well with commercial HDPE. However, a disentangled UHMWPE (dPE) could be melt-mixed in the same HDPE as evidenced qualitatively by rheological measurements. The present work is focused on quantifying the extent of dissolution of dPE in HDPE. The proposed method involves fitting rheological models for linear viscoelasticity of entangled bimodal blends of polydisperse polymers to dynamic oscillatory shear data and extracting information on the extent of dissolved species. The time-dependent diffusion model of des Cloizeaux is used along with the theory of double reptation (DR) to describe the dynamics of polydisperse homopolymers and also to extract the molecular weight distribution of the UHMWPE sample. A quadratic mixing rule, consistent with the DR model, is used to describe the dynamics of bimodal blends. Melt-mixed dPE/HDPE blends were prepared and characterized for their linear viscoelastic response by frequency sweep tests. The blends showed complex behavior with multiple crossover points, especially for the higher content of dPE. The bimodal model was then fit to the experimental frequency sweep data to determine the only unknown parameter, namely, the extent of dissolved dPE. It was found that a considerable fraction of dPE is dissolved in HDPE during melt compounding.
}, keywords = {blends, Disentangled UHMWPE, double reptation, HDPE, Mathematical modeling}, issn = {0148-6055}, doi = {10.1122/1.5113705}, author = {Chaudhuri, Krishnaroop and Lele, Ashish K.} } @article {46777, title = {Role of B site ions in bifunctional oxygen electrocatalysis: a structure-property correlation study on doped Ca(2)Fe(2)O(5)brownmillerites}, journal = {Physical Chemistry Chemical Physics}, volume = {22}, year = {2020}, month = {JUL }, pages = {15520-15527}, type = {Article}, abstract = {
The role of B site doping with transition metals in brownmillerites, a perovskite related family of compounds, in bifunctional oxygen electrocatalysis,viz., simultaneous reduction and evolution reactions, is analysed. Ca2Fe1.9M0.1O5(M = Mn, Co, Ni, and Cu) is synthesised and structurally characterised by powder XRD and Rietveld refinement. Valence states of the surface B site ions are identified by X-ray photoelectron spectroscopy. Bifunctional oxygen electrochemistry is studied with the RDE and RRDE techniques and correlated with the structural and electronic parameters like oxygen non-stoichiometry and B site catalytic activity. Since the widely accepted electronic descriptors like e(g)filling may not be sufficient for explaining the bifunctional activity, B site electron donating capability as well as the extent of oxygen vacancies enhancing O(2)adsorption is also considered. Such structural parameters are also found to influence both the ORR and OER and based on this, Ni doping is proposed as advantageous for the bifunctional activity.
}, issn = {1463-9076}, doi = {10.1039/d0cp02391d}, author = {Thundiyil, Shibin and Vinod, C. P. and Kurungot, Sreekumar and Devi, R. Nandini} } @article {46943, title = {Role of cholesterol-mediated effects in GPCR heterodimers}, journal = {Chemistry and Physics of Lipids}, volume = {227}, year = {2020}, month = {MAR}, pages = {104852}, type = {Article}, abstract = {
G protein-coupled receptors (GPCRs) are transmembrane receptors that mediate a large number of cellular responses. The organization of GPCRs into dimers and higher-order oligomers is known to allow a larger repertoire of downstream signaling events. In this context, a crosstalk between the adenosine and dopamine receptors has been reported, indicating the presence of heterodimers that are functionally relevant. In this paper, we explored the effect of membrane cholesterol on the adenosine(2A) (A(2A)) and dopamine D-3 (D-3) receptors using coarse-grain molecular dynamics simulations. We analyzed cholesterol interaction sites on the A(2A) receptor and were able to reproduce the sites indicated by crystallography and previous atomistic simulations. We predict novel cholesterol interaction sites on the D-3 receptor that could be important in the reported cholesterol sensitivity in receptor function. Further, we analyzed the formation of heterodimers between the two receptors. Our results suggest that membrane cholesterol modulates the relative population of several co-existing heterodimer conformations. Both direct receptor-cholesterol interaction and indirect membrane effects contribute toward the modulation of heterodimer conformations. These results constitute one of the first examples of modulation of GPCR hetero-dimerization by membrane cholesterol, and could prove to be useful in designing better therapeutic strategies.
}, keywords = {Adenosine(2A) receptor, Cholesterol, Dopamine D-3 receptor, G protein-coupled receptors, Heterodimer, MARTINI coarse-grain simulation}, issn = {0009-3084}, doi = {10.1016/j.chemphyslip.2019.104852}, author = {Prasanna, Xavier and Mohole, Madhura and Chattopadhyay, Amitabha and Sengupta, Durba} } @article {46916, title = {Role of dietary fatty acids in microglial polarization in Alzheimer{\textquoteright}s disease}, volume = {17}, year = {2020}, month = {MAR}, pages = {93}, type = {Review}, abstract = {
Microglial polarization is an utmost important phenomenon in Alzheimer{\textquoteright}s disease that influences the brain environment. Polarization depends upon the types of responses that cells undergo, and it is characterized by receptors present on the cell surface and the secreted cytokines to the most. The expression of receptors on the surface is majorly influenced by internal and external factors such as dietary lipids. Types of fatty acids consumed through diet influence the brain environment and glial cell phenotype and types of receptors on microglia. Reports suggest that dietary habits influence microglial polarization and the switching of microglial phenotype is very important in neurodegenerative diseases. Omega-3 fatty acids have more influence on the brain, and they are found to regulate the inflammatory stage of microglia by fine-tuning the number of receptors expressed on microglia cells. In Alzheimer{\textquoteright}s disease, one of the pathological proteins involved is Tau protein, and microtubule-associated protein upon abnormal phosphorylation detaches from the microtubule and forms insoluble aggregates. Aggregated proteins have a tendency to propagate within the neurons and also become one of the causes of neuroinflammation. We hypothesize that tuning microglia towards anti-inflammatory phenotype would reduce the propagation of Tau in Alzheimer{\textquoteright}s disease.
}, keywords = {Fatty acids, Microglial polarization, Omega-3 fatty acids, Tau inflammation, Tau phagocytosis, Tau spreading, Tauopathy}, doi = {10.1186/s12974-020-01742-3}, author = {Desale, Smita Eknath and Chinnathambi, Subashchandrabose} } @article {46932, title = {Role of electron correlation in the P, T-odd effects of CdH: a relativistic coupled-cluster investigation}, journal = {Physical Review A}, volume = {101}, year = {2020}, month = {MAR }, pages = {032505}, type = {Article}, abstract = {
We investigate the parity (P) and time-reversal (T) symmetry violating effects in the CdH molecule and perform the relativistic coupled-cluster calculation of the molecular parameters-E-eff, W-s, and W-M-related to the electric dipole moment of electron (eEDM) interaction, the scalar-pseudoscalar (S-PS) nucleus-electron neutral current coupling, and the nuclear magnetic quadrupole moment (MQM) interaction with electrons, respectively. We also compute the molecular dipole moment and the magnetic hyperfine structure coupling constant of CdH. The values of E-eff, W-s, and W-M obtained by us in the said molecule are 12.2 GV/cm, 14.0 kHz, and 0.82 x 10(33) Hz/e cm(2), respectively, within an uncertainty of 10\%. Furthermore, we study the trend of electron-correlation in the computed properties of CdH and that of the P, T-odd parameters in the group-12 monohydrides (i.e., ZnH, CdH, and HgH).
}, issn = {2469-9926}, doi = {10.1103/PhysRevA.101.032505}, author = {Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {47317, title = {Role of exposed crystal facets in the atmospheric pressure CO hydrogenation on Co3O4}, journal = {Nano-Structures \& Nano-Objects}, volume = {23}, year = {2020}, month = {JUL}, type = {Article}, abstract = {
Co3O4 nanostructures with different exposed planes are studied for atmospheric pressure CO hydrogenation. Existence of different facets is characterized by HR-TEM and found Co3O4 - NSP (nanospheres) expose (112) facet, NB (nanobelts) exhibit (110) plane and (100) is the dominant surface facet in NC (nanocubes). Different catalytic activity is demonstrated by the specific facet of Co3O4 catalysts. CO hydrogenation is facet dependent and the catalytic activity follows the order of Co3O4-NB \> Co3O4-NC \> Co3O4-NSP.
}, doi = {10.1016/j.nanoso.2020.100504}, author = {Jain, Preeti and Gupta, Sharad and Vinod, C. P.} } @inbook {47305, title = {Role of jasmonate in modulation of mycorrhizae-induced resistance against fungal pathogens}, booktitle = {Methods in Molecular Biology}, volume = {2085}, year = {2020}, pages = {109-115}, publisher = {Springer}, organization = {Springer}, abstract = {
Symbiotic association of plants with arbuscular mycorrhizal (AM) fungi brings about changes in levels of the phytohormone jasmonate (JA) in root and shoot tissues of a plant. The enhanced JA levels not only play a role in controlling the extent of AM colonization but are also involved in the expression of mycorrhizal-induced resistance (MIR) against pathogens. We describe a method used to study the levels of a volatile jasmonate derivative, methyl jasmonate (MeJA), in tomato plants colonized by AM fungi and in response to subsequent attack by the foliar pathogen Alternaria alternata.
}, doi = {10.1007/978-1-0716-0142-6_8}, author = {Nair, Aswathy and Thulasiram, H. V. and Bhargava, Sujata} } @article {46847, title = {Role of microglia in regulating cholesterol and tau pathology in alzheimer{\textquoteright}s disease}, journal = {Cellular and Molecular Neurobiology}, year = {2020}, month = {MAY}, type = {Review; Early Access 2020}, abstract = {
Cholesterol, a principal constituent of the cell membrane, plays a crucial role in the brain by regulating the synaptic transmission, neuronal signaling, as well as neurodegenerative diseases. Defects in the cholesterol trafficking are associated with enhanced generation of hyperphosphorylated Tau and Amyloid-beta protein. Tau, a major microtubule-associated protein in the brain, is the key regulator of the mature neuron. Abnormally hyperphosphorylated Tau hampers the major functions related to microtubule assembly by promoting neurofibrillary tangles of paired helical filaments, twisted ribbons, and straight filaments. The observed pathological changes due to impaired cholesterol and Tau protein accumulation cause Alzheimer{\textquoteright}s disease. Thus, in order to regulate the pathogenesis of Alzheimer{\textquoteright}s disease, regulation of cholesterol metabolism, as well as Tau phosphorylation, is essential. The current review provides an overview of (1) cholesterol synthesis in the brain, neurons, astrocytes, and microglia; (2) the mechanism involved in modulating cholesterol concentration between the astrocytes and brain; (3) major mechanisms involved in the hyperphosphorylation of Tau and amyloid-beta protein; and (4) microglial involvement in its regulation. Thus, the answering key questions will provide an in-depth information on microglia involvement in managing the pathogenesis of cholesterol-modulated hyperphosphorylated Tau protein.
}, keywords = {Alzheimer{\textquoteright}s disease, Amyloid-beta protein, Cholesterol, microglia, Tau hyperphosphorylation}, issn = {0272-4340}, doi = {10.1007/s10571-020-00883-6}, author = {Nanjundaiah, Shwetha and Chidambaram, Hariharakrishnan and Chandrashekar, Madhura and Chinnathambi, Subashchandrabose} } @article {46881, title = {Room temperature processed in-situ carbon-coated vanadium carbide (VC@C) as a high capacity robust Li/Na battery anode material}, journal = {Carbon}, volume = {161}, year = {2020}, month = {MAY}, pages = {108-116}, type = {Article}, abstract = {
3D carbide systems with their robust physical and mechanical properties have always attracted multiple application interests. In this report, we have synthesized a three-dimensional in-situ carbon coated cubic carbide, Vanadium Carbide (VC@C), by a very simple, scalable and cost-effective room temperature mechano-chemical ball-milling procedure and researched its promise as effective anode material for Li and Na ion batteries. We have demonstrated that VC@C shows an impressive initial discharge/lithiation capacity of 1165 mAh g(-1) with a high reversible capacity of 640 mAh g(-1) after 100 charge-discharge cycles at an applied current density of 0.1 A g(-1). We have also found that this material renders a very promising rate performance with significantly low capacity drop after exposing it to variable current densities ranging from 0.05 A g(-1) to 2 A g(-1) with an excellent stability up to 1000 cycles owing to its structural robustness, as verified by post-cycling characterizations. A Li-ion full cell study using LiCoO2 as cathode also showed excellent promise in terms of practical application demonstrating a reversible capacity of 95 mAh g(-1) after 100 cycles. Even for Na insertion/de-insertion VC@C shows a clear promise in terms of capacity, cyclic stability and rate performance. (C) 2020 Elsevier Ltd. All rights reserved.
}, keywords = {3D carbide, In-situ synthesis, Li-ion battery, Post cycling characterization, Room temperature ball milling, Williamson-Hall analysis}, issn = {0008-6223}, doi = {10.1016/j.carbon.2020.01.057}, author = {Mahajan, Mani and Roy, Kingshuk and Parmar, Swati and Singla, Gourav and Pandey, O. P. and Singh, K. and Vaidhyanathan, Ramanathan and Ogale, Satishchandra} } @article {46804, title = {Salts and cocrystal of etodolac: advantage of solubility, dissolution, and permeability}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {JUL }, pages = {4512-4522}, type = {Article}, abstract = {
{Etodolac (ETD) is a nonsteroidal anti-inflammatory drug (NSAID) approved by the United States Food and Drug Administration (US-FDA) in 1991 for the treatment of rheumatoid arthritis. Because of its poor aqueous solubility and high permeability, ETD falls under Biopharmaceutics Classification System (BCS) Class II drug. The present study was aimed to screen stable salts and cocrystals of ETD using Generally Recognized as Safe (GRAS) and a few non-GRAS coformers. Crystallization of five salts (i.e.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.0c00313}, author = {Rai, Sunil K. and Allu, Suryanarayana and Nangia, Ashwini K.} } @article {46634, title = {Scalable synthesis of 3-Ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one: an important building block of the antidiabetic drug glimepiride}, journal = {Synthesis-Stuttgart}, volume = {52}, year = {2020}, month = {NOV}, pages = {3480-3484}, type = {Article}, abstract = {
A four-step, practical, and easily scalable synthesis of 3-ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one, an important building block of the antidiabetic drug glimepiride, has been accomplished. Key features are the synthesis of 3-methyl-4-hydroxy-2-butenolide in water and triflic acid mediated N-benzyl lactam N-deprotection. The main advantages of this process are the scalable synthetic route and decreased number of reaction steps, which paves the way for the industrial-scale synthesis of 3-ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one.
}, keywords = {antidiabetic drug, Butenolide, glimepiride, lactams, scalable synthesis}, issn = {0039-7881}, doi = {10.1055/s-0040-1707344}, author = {Chavan, Subhash P. and Pawar, Ambaji A. and Patil, Niteen B. and Kadam, Appasaheb L. and Shinde, Shrikrishna S.} } @article {46664, title = {Scalable synthesis of manganese-doped hydrated vanadium oxide as a cathode material for aqueous zinc-metal battery}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {OCT }, pages = {48542-48552}, type = {Article}, abstract = {
Rechargeable aqueous zinc-metal batteries (ZMBs) are considered as potential energy storage devices for stationary applications. Despite the significant developments in recent years, the performance of ZMBs is still limited due to the lack of advanced cathode materials delivering high capacity and long cycle life. In this work, we report a low-temperature and scalable synthesis method following a surfactant-assisted route for preparing manganese-doped hydrated vanadium oxide (MnHVO-30) and its application as the cathode material for ZMB. The as-prepared material possesses a porous architecture and expanded interlayer spacing. Therefore, the MnHVO-30 cathode offers fast and reversible insertion of Zn2+ ions during the charge/discharge process and delivers 341 mAh g(-1) capacity at 0.1 A g(-1). Moreover, the MnHVO-30 parallel to Zn cell retains 82\% of its initial capacity over 1200 stability cycles, which is higher compared to that of the undoped system. Besides, a quasi-solid-state home-made pouch cell with an area of 3.3 x 1.6 cm(2) and 3.6 mg cm(-2) loading is assembled, achieving 115 mAh g(-1) capacity over 100 stability cycles. Therefore, this work provides an easy and attractive way for preparing efficient cathode materials for aqueous ZMBs.
}, keywords = {anionic surfactant, hydrated vanadium pentoxide, Nafion ionomer membrane, post-lithium battery, quasi-solid-state battery}, issn = {1944-8244}, doi = {10.1021/acsami.0c13221}, author = {Ghosh, Meena and Dilwale, Swati and Vijayakumar, Vidyanand and Kurungot, Sreekumar} } @article {46808, title = {Screening of zero valent mono/bimetallic catalysts and recommendation of Raney Ni (without reducing agent) for dechlorination of 4-chlorophenol}, journal = {Chemosphere}, volume = {250}, year = {2020}, month = {JUL}, pages = {126298}, type = {Article}, abstract = {
Chlorophenol (CP) is considered as environmentally hazardous material due to its acute toxicity, persistent nature and strong bioaccumulation. The dechlorination of 4-CP was investigated by using various catalysts such as bimetallic (Fe-0/Cu-0, Al-0/Fe-0), Pd/C, Raney Ni and Fe-0 at room temperature. Among the catalysts studied, Raney Ni proved to be very economical and efficient catalyst that worked without the use of an external reducing agent. The dechlorination of 4-CP by Raney Ni was therefore further explored. Complete dechlorination of 4-CP (30 mg L-1) was achieved in 6 hat an optimum Raney Ni catalyst loading of 3 g L-1. The effect of triethylamine (TEA) and tripropylamine (TPA) was also investigated and it was observed that 100\% dechlorination is possible in presence of 45 mg L-1 of TEA. The kinetics of dechlorination of 4-CP was investigated and found to be first order with a rate constant of 0.017 min(-1) at 50 degrees C, and it enhances to 0.109 min(-1) with addition of TEA. In the absence of a reducing agent, acidic to neutral pH favors dechlorination of 4-CP. The final product of dechlorination was estimated to be phenol by performing HPLC, LCMS and NMR analysis. Based on the results, a probable dechlorination mechanism of 4-CP is also proposed. It can be concluded that the catalytic hydrodechlorination is an effective and economical technique for dechlorination of 4-CP and it has a potential for the dechlorination of other toxic derivatives of chlorinated aromatics. (C) 2020 Elsevier Ltd. All rights reserved.
}, keywords = {4-Chlorophenol, Cl- scavenger, Hydrodechlorination, Raney Ni, Recycling of catalyst, Without reducing agent}, issn = {0045-6535}, doi = {10.1016/j.chemosphere.2020.126298}, author = {Raut, Sandesh S. and Shetty, Rohit and Raju, Nikhi Maria and Kamble, Sanjay P. and Kulkarni, Prashant S.} } @article {47007, title = {Selective, bifunctional Cu-WOx/Al2O3 catalyst for hydrodeoxygenation of fatty acids}, journal = {Catalysis Science \& Technology}, volume = {10}, year = {2020}, month = {JAN }, pages = {268-277}, type = {Article}, abstract = {
Selective hydrodeoxygenation of oleic acid (OA; in a batch reactor, at 300 degrees C, 30 bar H-2 pressure, reaction time of 1 h and reactant-to-catalyst weight ratio of 2 g OA/0.2 g) forming n-octadecane in yields as high as 93\% over a non-noble metal, sulfur-free, bimetallic Cu-WOx/Al2O3 catalyst is reported for the first time. Several Cu-WOx/Al2O3 compositions were prepared by a sequential wet-impregnation method and evaluated. A catalyst with 10 wt\% Cu and 4 wt\% W enabled the highest activity and selectivity. Upon adding WOx, the amount of moderate and strong acid sites increased and more Cu in the catalyst was in reduced electron-rich metallic (Cu-0) state. The crystallite size and dispersion of Cu were little affected. WOx promoted the fatty acid hydrodeoxygenation activity of Cu. While a monometallic Cu catalyst (10Cu/Al2O3) yielded n-octadecane and n-heptadecane along with high amounts of intermediate octadecanol and octadecanal products, the bimetallic catalyst (10Cu-4WO(x)/Al2O3) gave mainly n-octadecane. Acidity and the high amount of reduced Cu-0 species are responsible for the high catalytic hydrodeoxygenation performance of this bimetallic catalyst.
}, issn = {2044-4753}, doi = {10.1039/c9cy01939a}, author = {Janampelli, Sagar and Sethia, Govind and Darbha, Srinivas} } @article {46812, title = {Selective monoalkylation of hydroquinone in the presence of SO3H-functionalized ionic liquids as catalysts}, journal = {Chemical Papers}, volume = {74}, year = {2020}, month = {DEC}, pages = {4461-4471}, type = {Article}, abstract = {
A process aiming atO-alkylation of hydroquinone (HQ), where ionic liquids (ILs) act as catalyst is objectively described. Five SO3H-functionalized ILs having different cations were prepared and characterized by NMR and FTIR techniques. The acidity and thermal stability of ILs were determined by Hammett function and thermogravimetric analysis (TGA), respectively. The catalytic activity of these ILs were tested forO-alkylation of HQ with methanol in 4-methoxyphenol (4MP) in the presence of small amount of benzoquinone (BQ). The effect of reaction parameters such as temperature, time, catalyst loading and substrate concentration on the conversion of HQ and product distribution was examined and optimized to maximize the yield of 4MP using 1,3-disulfonic acid imidazolium hydrogen sulfate (IL2) catalyst. Maximum yield of desired product 4MP 93.79\% was obtained at 338 K temperature, 5.45 x 10(-2) mol HQ, 8.33 x 10(-3) mol BQ, and 10.37 mol\% catalyst loading in 120 min reaction time. Single-product formation was observed up to 338 K temperature but higher temperature (above 338 K) and longer reaction time resulted in the formation of 2,4-dimethoxyphenol (24DMP) as a by-product. Catalyst recyclability was also established up to the fifth run which showed no declination in its activity.
}, keywords = {4-Methoxyphenol, Benzoquinone, Hydroquinone, ionic liquids, O-alkylation}, issn = {2585-7290}, doi = {10.1007/s11696-020-01230-1, Early Access Date = JUN 2020}, author = {Bhongale, Priyanka V. and Joshi, Sunil S. and Mali, Nilesh A.} } @article {46906, title = {Selectivity engineering of Meerwein arylation in a continuous flow reactor: a modelling approach}, journal = {Reaction Chemistry \& Engineering}, volume = {5}, year = {2020}, month = {APR }, pages = {736-746}, type = {Article}, abstract = {
This paper presents a methodology for selectivity engineering of Meerwein arylation in a flow reactor. The reaction was optimized in batch mode and reaction kinetics were obtained over a range of temperatures and catalyst concentrations. A lumped kinetic model was formulated and the parameters were estimated using nonlinear regression. Furthermore, telescopic flow synthesis for Meerwein arylation via in situ diazonium salt generation and coupling was demonstrated. A non-isothermal model was developed and experimentally validated. The effect of initial concentration and inlet temperature on the yield of the desired product was estimated for various catalyst concentrations. The results from the simulations in terms of nondimensional numbers were used to find suitable operating conditions for Meerwein arylation.
}, issn = {2058-9883}, doi = {10.1039/c9re00477g}, author = {Shukla, Chinmay A. and Atapalkar, Ranjit S. and Kulkarni, Amol A.} } @article {46833, title = {Self-assembled helical arrays for the stabilization of the triplet state}, journal = {Angewandte Chemie-International Edition}, volume = {59}, year = {2020}, month = {JUL}, pages = {13079-13085}, type = {Article}, abstract = {
Room-temperature phosphorescence of metal and heavy atom-free organic molecules has emerged as an area of great potential in recent years. A rational design played a critical role in controlling the molecular ordering to impart efficient intersystem crossing and stabilize the triplet state to achieve room-temperature ultralong phosphorescence. However, in most cases, the strategies to strengthen phosphorescence efficiency have resulted in a reduced lifetime, and the available nearly degenerate singlet-triplet energy levels impart a natural competition between delayed fluorescence and phosphorescence, with the former one having the advantage. Herein, an organic helical assembly supports the exhibition of an ultralong phosphorescence lifetime. In contrary to other molecules, 3,6-phenylmethanone functionalized 9-hexylcarbazole exhibits a remarkable improvement in phosphorescence lifetime (\>4.1 s) and quantum yield (11 \%) owing to an efficient molecular packing in the crystal state. A right-handed helical molecular array act as a trap and exhibits triplet exciton migration to support the exceptionally longer phosphorescence lifetime.
}, keywords = {carbazole, helicity, phenylmethanone, ultralong phosphorescence, waveguiding}, issn = {1433-7851}, doi = {10.1002/anie.202005105, Early Access Date = JUN 2020}, author = {Nidhankar, Aakash D. and Goudappagouda and Kumari, Divya S. Mohana and Chaubey, Shailendra Kumar and Nayak, Rashmi and Gonnade, Rajesh G. and Kumar, G. V. Pavan and Krishnan, Retheesh and Babu, Sukumaran Santhosh} } @article {46976, title = {Self-assembly of bispentadecylphenol substituted perylenediimide with PS-b-P4VP for structure-property insight into the core of core-shell micelles}, journal = {ACS Applied Polymer Materials}, volume = {2}, year = {2020}, month = {FEB}, pages = {805-816}, type = {Article}, abstract = {
We report the use of a ditopic molecular probe bispentadecylphenol substituted perylenediimide (PBI-PDP) to examine the molecular level self-assembly of polystyrene-b-poly(4-vinylpyridine) (PS-b-P4VP) in tetrahydrofuran (THF). A series of complexes were prepared between PS-b-P4VP copolymers with varying lengths of the 4-vinylpyridine chain and PBI-PDP. Light scattering and NMR spectroscopic studies reveal that the self-assembled structures of the solid complexes are not fully disrupted when the complexes are dissolved in THF. NMR experimental parameters measured for the small probe molecule provide detailed insights into the structure of the assemblies in solution as well as the interaction between the small molecule and the block copolymer. Such insights can have important implications in manipulating the nanostructure of block copolymer micelles to suit various application requirements. The dynamics and distribution of the PBI-PDP molecules within the assemblies in solution show a dependence on the length of the P4VP block. Transmission electron microscopy was employed to study the evolution of morphologies in films prepared from the self-assembled structures in THF solutions.
}, keywords = {core corona interface, ditopic molecular probe, environment, micelles, perylenediimide, PS-b-P4VP, Self-assembly}, issn = {2637-6105}, doi = {10.1021/acsapm.9b01099}, author = {Roy, Moumita and Rajamohanan, Pattuparambil R. and Ravindranathan, Sapna and Asha, S. K.} } @article {46781, title = {Self-assembly of novel Fmoc-cardanol compounds into hydrogels - analysis based on rheological, structural and thermal properties}, journal = {Soft Matter}, volume = {16}, year = {2020}, month = {JUL }, pages = {6294-6303}, type = {Article}, abstract = {
Hydrogels of low molecular weight molecules are particularly appealing for various biomedical applications such as drug delivery, tissue engineering, and antitumor therapy due to their excellent biocompatibility, biodegradability, and easy availability. Fmoc-peptide hydrogels form an essential category of these hydrogels. Herein we report a new class of Fmoc hydrogels in which cardanol (3-pentadecyl phenol (PDP)) is covalently linked with fluorenylmethyloxycarbonyl group. Cardanol is a plant-based renewable raw material, readily obtained from Cashew Nut Shell Liquid (CNSL). The long aliphatic chain of pentadecyl phenol helps in bringing a structural incompatibility and generates different nanostructures such as nanospheres, nanotapes, and nanofibers depending on Fmoc substitution and the solvents used. Stable hydrogels were formed from Fmoc-PDP in DMSO/H2O, and the critical aggregation concentration (CAC) and critical gelation concentration (CGC) were determined. The role of non-covalent forces such as hydrogen-bonding, hydrophobicity, and pi-pi stacking interactions in governing self-assembly to hydrogel formation was studied for Fmoc, DiFmoc and Boc groups attached to PDP. The thermal properties were analyzed, and smectic and nematic phases were identified for the molecules depending on the substitutions involved. Overall the study supports the mechanisms of aggregation and gelation in novel Fmoc-cardanol derivatives.
}, issn = {1744-683X}, doi = {10.1039/d0sm00670j}, author = {Kadeeja, Aliya and Joseph, Seena and Abraham, Jancy Nixon} } @article {46959, title = {Shape resonance of sulphur dioxide anion excited states using the CAP-CIP-FSMRCCSD method}, journal = {Molecular Physics}, volume = {118}, year = {2020}, month = {AUG }, type = {Article}, abstract = {
We have studied the shape resonance of excited states of sulphur dioxide (SO2) anion by using the correlated independent particle Fock space multi-reference coupled cluster (CAP-CIP-FSMRCCSD) method augmented by complex absorption potential. These resonant states have been trapped experimentally in recent years by electron collision. In particular, we have investigated e(-)-SO2 scattering and computed the negative-ion resonance states of the anion responsible for the two resonances around 4.45 and 6.56 eV and compared the results with the existing experimental observations. From the computational results using the CAP-CIP-FSMRCCSD method, it has been observed that both the resonances near 4.45 and 6.56 eV result from A(1) symmetries. [GRAPHICS] .
}, keywords = {CAP augmented correlated independent particle (CAP-CIP-FSMRCCSD), complex absorption potential (CAP), coupled cluster, Fock space multireference coupled cluster (FSMRCCSD), shape resonance}, issn = {0026-8976}, doi = {10.1080/00268976.2020.1726521, Early Access Date = FEB 2020}, author = {Basumallick, Suhita and Bhattacharya, Sumantra and Jana, Irina and Vaval, Nayana and Pal, Sourav} } @article {46823, title = {"Shape-coding{\textquoteright}{\textquoteright}: morphology-based information system for polymers and composites}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {JUN}, pages = {27555-27561}, type = {Article}, abstract = {
Fiber-reinforced composites have become the material of choice for aerospace structures because of their favorable strength-to-weight ratio. Given the increasing amounts of counterfeit composite parts showing up in the complex aerospace supply chain, it is absolutely vital to track a composite part throughout its lifecycle-from production to usage and to disposal. Existing barcoding methods are invasive, affect the structural properties of composites, and/or are vulnerable to tampering. We describe a universal method to store information in fiber-reinforced composites based on solid-state in situ reduction leading to embedded nanoparticles with controlled morphologies. This simple, cost-effective, mild, surfactant-free, and one-step protocol for the fabrication of embedded platinum nanostructures leads to morphology-based barcodes for polymeric composites. We also describe a coding methodology wherein a 1 x 1 cm code can represent 3.4 billion parts to 95 trillion parts, depending on the resolution required along with access to morphology-based chemical encryption systems.
}, keywords = {barcoding chemical encryption, epoxy composites, nanoparticle morphology control, solid-state synthesis}, issn = {1944-8244}, doi = {10.1021/acsami.0c05314}, author = {Pansare, V, Amol and Chhatre, Shraddha Y. and Khairkar, Shyam R. and Bell, Jeffrey G. and Barbezat, Michel and Chakrabarti, Subhananda and Nagarkar, Amit A.} } @inbook {47320, title = {Shape-controlled metal oxides for selective catalytic oxidation}, booktitle = {Advanced Heterogeneous Catalysts Volume 1: Applications at the Nano-Scale}, year = {2020}, pages = {291-318}, publisher = {Publisher: American Chemical Society}, organization = {Publisher: American Chemical Society}, abstract = {
Some of industrial processes involve selective oxidation reactions that include the use of corrosive and nonbenign oxidants and solvents. Many metal oxide-based catalysts have been reported for selective oxidation processes, and they exhibit a range of activities compared to homogeneous protocols and current practices. To bridge the gap between homogeneous and heterogeneous catalysis in terms of activity and selectivity and move toward green oxidation processes, this chapter discusses the shape-controlled synthesis of a selected range of metal oxides and their applications in selective catalytic oxidation reactions. This chapter also discusses some of the interesting micro- and nanostructured materials used in these reactions, as well as the roles of exposed predominant facets, defects, and other features and their effects on catalysis. Oxides of Mn, Co, Ce, Cu, Fe, La, and some combinations thereof are presented. Chemical reactions such as the selective oxidations of alcohol, ethyl benzene, styrene, xylene, and 5-hydroxymethylfurfural and the preferential oxidation of CO are also discussed.
}, doi = {10.1021/bk-2020-1359.ch010}, author = {Burange, Anand S. and Gopinath, Chinnakonda} } @article {47025, title = {Short review of synthetic routes for the antiepileptic drug (R)-lacosamide}, journal = {Organic Process Research \& Development}, volume = {24}, year = {2020}, month = {JAN}, pages = {17-24}, type = {Review}, abstract = {
The disease epilepsy affects people of all ages and is due to a chronic neurological disorder in the brain. According to a report by the World Health Organization, epilepsy is one of the most common global neurological diseases. (R)-Lacosamide (Vimpat) was introduced by UCB Pharma in 2008 for the treatment of partial-onset seizures in patients suffering from epilepsy. This review summarizes all of the available synthetic strategies reported for (R)-lacosamide, which will help medicinal chemists in the further development of its synthesis.
}, keywords = {antiepileptic drug, epilepsy, lacosamide, serine derivative, synthesis}, issn = {1083-6160}, doi = {10.1021/acs.oprd.9b00373}, author = {Aratikatla, Eswar K. and Bhattacharya, Asish K.} } @article {46882, title = {Shotgun metagenome guided exploration of anthropogenically driven resistomic hotspots within Lonar soda lake of India}, journal = {Ecotoxicology and Environmental Safety}, volume = {194}, year = {2020}, month = {MAY}, pages = {110443}, type = {Article}, abstract = {
Anthropogenic activities mediated antibiotic resistance genes (ARGs) in the pristine aquatic bodies (lakes) is raising concern worldwide. Long read shotgun sequencing was used to assess taxonomic diversity, distribution of ARGs and metal resistance genes (MRGs) and mobile genetic elements (MGEs) in six sites within hypersaline Lonar soda lake (India) prone to various anthropogenic activities. Proteobacteria and Euryarchaeota were dominant phyla under domain Bacteria and Archaea respectively. Higher abundance of Bacteroidetes was pragmatic at sites 18LN5 and 18LN6. Functional analysis indicated 26 broad-spectrum ARGs types, not reported earlier in this ecosystem. Abundant ARG types identified were multidrug efflux, glycopepetide, bacitracin, tetracycline and aminogylcoside resistance. Sites 18LN1 and 18LN5 depicted 167 and 160 different ARGs subtypes respectively and rpoB2, bcrA, tetA(48), mupA, ompR, patA, vanR and multidrug ABC transporter genes were present in all samples. The rpoB2 gene was dominant in 18LN1, whereas bcrA gene in 18LN2-18LN6 sites. Around 24 MRGs types were detected with higher abundance of arsenic in 18LN1 and copper in 18LN2-18LN6, signifying metal contamination linked to MRGs. The bacterial taxa Pseudomonas, Thioalkalivibrio, Burkholderia, Clostridium, Paenibacillus, Bacillus and Streptomyces were significantly associated with ARGs. This study highlights the resistomic hotspots in the lake for deploying policies for conservation efforts.
}, keywords = {ARGs, diversity, Lonar lake, MGEs, MRGs, Nanopore sequencing}, issn = {0147-6513}, doi = {10.1016/j.ecoenv.2020.110443}, author = {Chakraborty, Jaya and Sapkale, Vibhavari and Rajput, Vinay and Shah, Manan and Kamble, Sanjay and Dharne, Mahesh} } @article {46749, title = {Silk fibroin 3D microparticle scaffolds with bioactive ceramics: chemical, mechanical, and osteoregenerative characteristics}, journal = {Advanced Engineering Materials}, volume = {22}, year = {2020}, month = {DEC}, pages = {2000458}, type = {Article}, abstract = {
Preparation of 3D scaffolds for bone tissue engineering (BTE) is a challenging task as it requires appropriate pore size and porosities, mechanical properties, and controlled bioerosion rate. The focus of this work is the fabrication of silk fibroin (SF) 3D microparticle scaffolds with the incorporation of hydroxyapatite (HA) and calcium sulfate (CaS) as bioceramics. Physicochemical characterization shows approximate to 30\% filler loading and approximate to 40\% optimum porosity with \>100 mu m pore size for these filled/unfilled scaffolds. Nanoindentation studies show improved Young{\textquoteright}s modulus at microparticle level with the incorporation of bioceramics. SF-HA scaffolds showed three fold increase in Young{\textquoteright}s modulus, whereas SF-CaS showed two fold increase. In vitro bioerosion study results in early bioerosion with SF-CaS scaffold, whereas prolonged bioerosion with SF-HA scaffold. In vitro osteoregenerative potential is analyzed by estimating alkaline phosphatase (ALP), bone morphogenetic protein-2 (BMP-2), and osteocalcin (OCN). SF CaS supports early stage differentiation while SF 50\% HA predominantly supports late stage. The expression of TNF-alpha suggests a reduced risk of immune rejection. This work, therefore, concludes that although SF supports bone tissue regeneration, the choice of bioceramic enhances the applicability in various clinical scenarios by providing a controlled bioerosion rate, tunable speed of osteoregeneration, and improved load bearing capacities.
}, keywords = {bioceramics, bioerosion, osteogenic differentiation, Silk fibroin, stem cells}, issn = {1438-1656}, doi = {10.1002/adem.202000458, Early Access Date = AUG 2020}, author = {Parekh, Nimisha A. and Deshpande, V. Rucha and Shukla, Swati G. and Nisal, Anuya A.} } @article {46608, title = {Silver-catalyzed cascade cyclization/1,6-conjugate addition of homopropargyl sulfonamides to p-quinone methides: an approach to diverse 3-diarylmethine substituted dihydropyrroles}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {DEC }, pages = {15038-15050}, type = {Article}, abstract = {
A silver-catalyzed cycloisomerization/1,6-conjugate addition of homopropargyl sulfonamides to p-quinone methides to access diverse diarylmethine substituted dihydropyrroles has been disclosed. The reaction pathway involves an intramolecular cascade cyclization of homopropargyl sulfonamides to generate a highly reactive dihydropyrrole intermediate in situ followed by conjugate addition with p-quinone methides. This method provides an efficient and scalable route for the synthesis of 3-diarylmethine substituted dihydropyrroles, in one pot.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c01922}, author = {Shirsath, Sachin R. and Ghotekar, Ganesh S. and Bahadur, Vir and Gonnade, Rajesh G. and Muthukrishnan, M.} } @article {47784, title = {Simultaneous determination of anthraquinone, flavonoids, and phenolic antidiabetic compounds from cassia auriculata seeds by validated UHPLC based MS/MS method}, journal = {Mass Spectrometry Letters}, volume = {11}, year = {2020}, month = {DEC}, pages = {82-89}, type = {Article}, abstract = {A systematic isolation and characterization study for Cassia auriculata (CA) seeds resulted in identifying antidiabetic compounds 1,3,8-trihydroxyanthraquinone and quercetin, quercetin-3-O-rutinoside, gallic acid, caffeic acid, ferulic acid, and ellagic acid. The ultra-high-performance liquid chromatography based triple quadrupole mass spectrometry methodology was developed and validated for simultaneous identification and confirmation of these compounds from CA seeds. Multiple reaction monitoring (MRM) based quantification method was developed with MRM optimizer software for MS1 and MS2 mass analysis. The method was optimized on precursor ions and product ions with the ion ratio of each compound. The calibration curves of seven bioactive analytes showed excellent linearity (r2 >= 0.99). The quantitation results found precise (RSD, < 10 \%) with good recoveries (84.58 to 101.42\%). The matrix effect and extraction recoveries were found within the range (91.66 to 102.11\%) for the CA seeds. This is the first MS/MS-based methodology applied to quantifying seven antidiabetic compounds in CA seeds and its extract for quality control purposes.}, doi = {10.5478/MSL.2020.11.4.82}, author = {Girme, Aboli and Saste, Ganesh and Chinchansure, Ashish and Joshi, Swati and Kunkulol, Rahul and Hingorani, Lal and Patwardhan, Bhushan} } @article {47137, title = {Simultaneous identification and estimation of glycyrrhizin, glabridin, and 18β-glycyrrhetinic acid in de-glycyrrhized Ayurvedic lipid-based formulation of Glycyrrhiza glabra using dual wavelength reverse phase-high-performance liquid chromatography }, journal = {Separation Science Plus}, volume = {3}, year = {2020}, month = {AUG}, pages = {460-471}, abstract = {
Plant-based Ayurvedic formulations such as medicated oils, confectioneries, etc. are developed with a rationale of selecting specific compounds for targeted action and minimal side effects. It is imperative to develop an analytical method to simultaneously identify and quantify the targeted compounds for good resolution with low retention time. The present assay using reverse phase-high-performance liquid chromatography is optimized to resolve glycyrrhizin, glabridin, and 18β-glycyrrhetinic acid simultaneously at retention times of 6.6, 8.1, and 10.2\ min, respectively, using acidified mobile phase from Glycyrrhiza glabra utilized in Ayurvedic lipid (cow{\textquoteright}s ghee and sesame oil) based formulations. Raw material, its decoction, and residues formed during preparation steps were extracted in methanol while lipid formulations were extracted using a binary solvent system of methanol and n-hexane. The separation was performed on Hypersil gold column maintained at 40{\textdegree}C using 0.2\% ortho-phosphoric acid with pH 3.5 in water and acetonitrile as binary gradient mobile phase. The compounds were detected at wavelengths 230 (glabridin) and 254 (glycyrrhizin and 18β-glycyrrhetinic acid) nm. The method revealed de-glycyrrhized finished products containing glabridin and 18β-glycyrrhetinic acid having medicinal value.
}, doi = {10.1002/sscp.202000015}, author = {Kumbhalkar, Bhagyashri and Walunj, Tanhaji and Chavan, Sandeep and Gupta, Vidya and Deshmukh, Vineeta and Sardeshmukh, Sadanand} } @article {46701, title = {Site speci fic nitrogen incorporation in reduced graphene oxide using imidazole as a novel reducing agent for ef ficient oxygen reduction reaction and improved supercapacitive performance}, journal = {Carbon}, volume = {166}, year = {2020}, month = {SEP }, pages = {361-373}, type = {Article}, issn = {0008-6223}, doi = {10.1016/j.carbon.2020.05.011}, author = {Roy, Dipayan and Sarkar, Saikat and Bhattacharjee, Kaustav and Panigrahi, Karamjyoti and Das, Bikram Kumar and Sardar, Kausik and Sarkar, Sourav and Chattopadhyay, Kalyan Kumar} } @article {46897, title = {Solid catalysts for conversion of furfural and its derivatives to alkanediols}, journal = {Catalysis Reviews-Science and Engineering}, volume = {62}, year = {2020}, month = {OCT }, pages = {566-606}, type = {Review}, abstract = {
Alkanediols with five and six carbon atoms (1,2- \& 1,5-pentanediols and 1,2- \& 1,6-hexanediols, respectively) are an important class of industrial chemicals having wide application. Their production from lignocellulosic biomass-derived furfural and its derivatives using solid catalysts is a sustainable and attractive approach. Several bifunctional catalysts with metal (for hydrogenation/hydrogenolysis) and acid/base (for ring opening) functionalities have been reported. Effective and selective conversion of furfurals to a desired diol is still a challenge. This review discusses the recent advances in catalyst development for pentane- and hexanediols. The reaction pathways, active sites, and possible reaction mechanisms over the solid catalysts are discussed. A comparative catalytic activity data of the known catalysts are reported.
}, keywords = {5-hydroxymethylfurfural (HMF), Alkanediol, furfural (FAL), hexanediol, pentanediol, solid catalyst}, issn = {0161-4940}, doi = {10.1080/01614940.2020.1744327, Early Access Date = APR 2020}, author = {Enjamuri, Nagasuresh and Darbha, Srinivas} } @article {46652, title = {Solution-phase hybrid passivation for efficient infrared-band gap quantum dot solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {NOV }, pages = {49840-49848}, type = {Article}, abstract = {
The broad tunability of the energy band gap through size control makes colloidal quantum dots (QDs) promising for the development of photovoltaic devices. Large-size lead sulfide (PbS) QDs, exhibiting a narrow energy band gap, are particularly interesting as they can be used to augment perovskite and c-Si solar cells due to their complementary NIR absorption. However, their complex surface chemistry makes them difficult to process for the development of solar cells. The shape of the QDs transformed from octahedron to cuboctahedron as their size increases, a phenomenon guided by surface energy minimization. As a result, the surface properties change drastically for large-size QDs, which exhibit nonpolar (200) facets and polar (111) facets, as opposed to only (111) facets in small-size QDs. Recent advancements in solution-phase surface passivation strategies, used for the development of high-performance solar cells using the small size and wide band gap QDs, failed to translate a similar enhancement in the case of large-size and narrow band gap QDs. Here, we report a hybrid passivation strategy for large-size and narrow band gap QDs to passivate both (111) and (200) facets, respectively, using inorganic lead triiodide (PbI3-) and organic 3-chloro-1-propanethiol (CPT). By employing charge balance calculation, we identified the desired narrow band gap for QDs to complement the perovskite and c-Si absorption. The distinct choice of the organic ligand CPT enhances the colloidal stability of QDs in the solution phase and improves surface passivation to stop QD fusion in solid films. Photophysical properties show narrower excitonic and emission peaks and a reduction in the Stokes shift. Hybrid passivation leads to a 94\% increase in the power conversion efficiency of solar cells and a 74\% increase in the external quantum efficiency at the excitonic peak.
}, keywords = {infrared band gap, polydispersity, quantum dot, solar cells, surface passivation, trap states}, issn = {1944-8244}, doi = {10.1021/acsami.0c15703}, author = {Mahajan, Chandan and Sharma, Ashish and Rath, Arup K.} } @article {46678, title = {Solvent extraction of butanol from synthetic solution and fermentation broth: batch and continuous studies}, journal = {Separation and Purification Technology}, volume = {249}, year = {2020}, month = {OCT}, pages = {117058}, type = {Article}, abstract = {
Product recovery is one of the essential finishing steps to any commercial fermentation process. In acetone-butanol-ethanol (ABE) fermentation, butanol recovery is quite tedious mainly due to dilute product and multiple byproduct formation in complex media. Among different recovery methods, extraction has attracted considerable attention in biofuel recovery owing to its high selectivity, low energy consumption, and ease of operation. In present work, the butanol extraction performance from synthetic solvent mixture containing ABE was tested in batch and continuous operations using 20\% (v/v) decanol in oleyl alcohol. The optimized extraction conditions were then validated using actual fermentation broth to confirm effectiveness of the extraction operation. The distribution coefficient (K-d) and batch extraction efficiency (E) were in the range of 5.60-9.80 and 87.70-86.90\% for fermentation broth and synthetic solution, respectively for a given initial concentration of butanol in the aqueous phase. Further, E was relatively improved by supplementing different inorganic salts. Sodium hydroxide (5\%, w/v) was highly effective to recover butanol from fermentation broth (E similar to 97.70\%) with K-d of 33.10. Besides, the continuous counter current extraction of butanol in a packed column was performed. The volumetric mass transfer coefficient (kLa) was estimated to be 0.025 1/min at an optimized superficial velocity of the aqueous phase (0.28 cm/min) and sodium hydroxide concentration (5\%, w/v). Height of the extraction column was estimated to be 28.32 cm using height of transfer unit (HTU) and number of transfer unit (NTU) concept for extraction efficiency of 97.20\%. Overall, the present study has demonstrated an enhanced extraction efficiency of butanol from fermentation broth.
}, keywords = {Biobutanol, Equilibrium stages, Height of transfer unit, liquid-liquid extraction, mass transfer coefficient, Number of transfer unit}, issn = {1383-5866}, doi = {10.1016/j.seppur.2020.117058}, author = {Khedkar, Manisha A. and Nimbalkar, Pranhita R. and Gaikwad, Shashank G. and Chavan, V, Prakash and Bankar, Sandip B.} } @article {46635, title = {Solvent-less solid state synthesis of dispersible metal and semiconducting metal sulfide nanocrystals (vol 6, pg 12006, 2018)}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {NOV}, pages = {17000}, type = {Correction}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.0c07891}, author = {Bera, Abhijit and Busupalli, Balanagulu and Prasad, Bhagavatula L. V.} } @article {46715, title = {Spectroscopic evidences for the size dependent generation of pd species responsible for the low temperature CO oxidation activity on Pd-SBA-15 nanocatalyst}, journal = {Applied Catalysis B-Environmental}, volume = {272}, year = {2020}, month = {SEP }, pages = {118934}, type = {Article}, abstract = {
A comprehensive size dependent CO oxidation activity has been demonstrated for Pd-SBA-15 catalysts with Pd NPs of varying sizes such as 1-2, 4-6 and 7-10 nm. Pd-SBA-15 catalyst with smallest sized NPs (Pd-S-N) has been synthesized by modified deposition precipitation method recently developed in our lab. Pd-S-N catalyst (reduced at 400 degrees C) demonstrated CO oxidation activity with lower light off temperature (50 degrees C), clearly one of the best reported for a Pd-silica system. A detailed XPS and in-situ DRIFTS analyses further supported by XAS and DFT calculations reveal the presence of easily decomposable highvalent Pd-oxide on co-ordinatively unsaturated Pd sites (Pdcus). Weak binding of CO on Pdcus sites in small Pd NPs leaving sites for oxygen activation is attributed to the low temperature activity of Pd-S-N for CO oxidation.
}, keywords = {CO oxidation, high-valent Pd species, Pd nanoparticles, SBA-15, under coordinated Pd atoms}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2020.118934}, author = {Soni, Yogita and Pradhan, Sumanta and Bamnia, Mahesh K. and Yadav, A. K. and Jha, S. N. and Bhattacharyya, D. and Khan, Tuhin Suvra and Haider, M. A. and Vinod, C. P.} } @proceedings {47327, title = {Spectroscopic probe of atomically thin domains of CVD-grown MoSe2}, volume = {2265}, year = {2020}, month = {NOV}, publisher = {AIP}, abstract = {

Since the discovery of graphene, two-dimensional Layered Transition Metal Dichalcogenides (TMDCs) such as MoS2, MoSe2, and WS2\ having a tunable bandgap, have emerged as one of the most stable classes of materials making them attractive for various applications. We have investigated the growth mechanism and shape evolution of various domains of CVD-grown MoSe2\ on insulating substrates by spectroscopic techniques. The different morphologies were analyzed using Raman and photoluminescence spectroscopies. The transformation from the precursor MoO3\ to MoSe2\ is found to depend on a number of growth parameters and experimental conditions.

\

\
}, doi = {10.1063/5.0017096}, author = {Singh, Vineeta and Late, Dattatray J. and Rath, Shyama} } @article {46815, title = {Sphingomyelin effects in caveolin-1 mediated membrane curvature published as part of the journal of physical chemistry virtual special issue {\textquoteleft}{\textquoteleft}computational and experimental advances in biomembranes{\textquoteright}{\textquoteright}}, journal = {Journal of Physical Chemistry B}, volume = {124}, year = {2020}, month = {JUN}, pages = {5177-5185}, type = {Article}, abstract = {
The caveolin-1 (cav-1) protein is an integral component of caveolae and has been reported to colocalize with cholesterol and sphingomyelin-rich curved membrane domains. Here, we analyze the molecular interactions between cav-1 and sphingomyelin containing bilayers using a series of coarse-grain simulations, focusing on lipid clustering and membrane curvature. We considered a palmitoylated-cav-1 construct interacting with phospholipid/cholesterol membranes with asymmetrically distributed sphingomyelin, varying between 5 and 15\% in total. We observe that cav-1 binds to the intracellular leaflet and induces a small positive curvature in the leaflet to which it is bound and an opposing negative curvature in the extracellular leaflet. Both cholesterol and sphingomyelin are observed to cluster in cav-1 bound membranes, mainly in the extracellular leaflet. Due to their negative spontaneous curvature, clustering of cholesterol and sphingomyelin facilitates membrane curvature such that the extent of either cholesterol or sphingomyelin clustering is dependent on the curvature induced. Our results suggest that cav-1 binding induces concentration-dependent curvature effects in sphingomyelin-rich membranes. Overall, our work is an important step in understanding the molecular basis of curvature and lipid clustering in cav1 bound cellular membranes.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c02962}, author = {Krishna, Anjali and Prakash, Shikha and Sengupta, Durba} } @article {46599, title = {Stepwise nucleophilic substitution to access saturated N-heterocyclic carbene haloboranes with boron-methyl bonds}, journal = {Organometallics}, volume = {39}, year = {2020}, month = {DEC}, pages = {4696-4703}, type = {Article}, abstract = {
Compounds of boranes with N-heterocyclic carbenes are known, yet little attention has been paid to NHC compounds of boron bearing methyl and halogen moieties together. The reason can be attributed to the hazardous methyldichloroborane (MeBCl2), which ignites in air. We describe here convenient solution-phase access to SIDipp.MeBCl2 (SIDipp = 1,3-bis(2,6-diisopropylphenyl)imidazolin-2-ylidene) (3) by a salt metathesis reaction of SIDipp.BCl3 (2) with MeLi. Replacement of the chlorine atoms of 3 with stepwise addition of AgOTf led to the formation of SIDipp.MeBCl(OTf) (4) and SIDipp.MeB(OTf)2 (5). In the case of 4, all of the substituents on the boron atom are different. Subsequently, we extended our synthetic approach to the amidinate system and prepared PhC(NtBu)2B(Me)Cl (7) from the reaction of PhC(NtBu)2BCl2 (6) with MeLi.
}, issn = {0276-7333}, doi = {10.1021/acs.organomet.0c00691}, author = {Kundu, Gargi and Pahar, Sanjukta and Tothadi, Srinu and Sen, Sakya S.} } @article {46675, title = {Stimuli-responsive biodegradable polyurethane nano-constructs as a potential triggered drug delivery vehicle for cancer therapy}, journal = {International Journal of Pharmaceutics}, volume = {588}, year = {2020}, month = {OCT }, pages = {119781}, type = {Review}, abstract = {
Polyurethanes (PUs) constitute an essential class of stimuli-responsive and biodegradable material, which has significantly contributed to the advancement of polymers utilization in the biomedical field. The bio-erodible PUs construct an active corridor for facilitating drug into tumor cells, which has significantly impacted the progression of nano-micellar delivery systems. The self-assembled colloidal PUs pose distinctive features such as enhancing the solubility of hydrophobic chemotherapeutics, rapid cellular uptake, triggered erosion and drug release, bio-stimulus sensitivity, improvement in the targeting and proficiency of bioactive. Cationic PUs can easily be condensed with genetic material to form polyplexes and have shown excellent transfection efficiency for potential gene therapy against various cancers. Their modifiable chemistry offers a tool to impart the desired multifunctionality such as biocompatibility, sensitivity to pH, redox, temperature, enzyme, etc. and ligand conjugation for active targeting. These diverse exceptional properties make them excellent nano-carrier for a variety of bioactive, including chemotherapeutic drugs, DNA, RNA, and diagnostic moieties to the target tissue or cells. The PUs based nano-devices have certainly uncovered the path to achieve ideal systems for controlled personalized therapy. The literature discussed in this review shed light on the research innovations carried out in the last ten years for the development of multifunctional PUs for triggered delivery of bioactive to treat various cancers.
}, keywords = {Cancer nanomedicine, GSH, micelles, Polyurathanes, redox, Stimuli-responsive}, issn = {0378-5173}, doi = {10.1016/j.ijpharm.2020.119781}, author = {Gajbhiye, Kavita R. and Chaudhari, Bhushan P. and Pokharkar, Varsha B. and Pawar, Atmaram and Gajbhiye, Virendra} } @article {46969, title = {Stress-induced electronic structure modulation of manganese-incorporated Ni2P leading to enhanced activity for water splitting}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {FEB}, pages = {1271-1278}, type = {Article}, abstract = {
The cornerstone of the emerging hydrogen economy is hydrogen production by water electrolysis with concomitant oxygen generation. Incorporating a third element in metal phosphides can tune the crystalline and electronic structure, hence improving the electrocatalytic properties. In this work, Mn-doped Ni2P with varying ratios of Mn and Ni has been explored as excellent catalysts for water splitting. A complete cell made of the best catalyst Ni1.5Mn0.5P electrodes showed low voltage of 1.75 V at a current density of 10 mA cm(-2) due to enhanced electrical conductivity, induction of tensile stress, enhanced electrochemical surface area, and increased electric dipole upon Mn incorporation.
}, keywords = {Electronic Structure, hydrogen evolution reaction, Oxygen Evolution Reaction, phosphides, water splitting}, issn = {2574-0962}, doi = {10.1021/acsaem.9b02097}, author = {Sarkar, Shreya and Dheer, Lakshay and Vinod, C. P. and Thapa, Ranjit and Waghmare, V. Umesh and Peter, Sebastian C.} } @article {46695, title = {Stronger transcription regulatory circuit of HIV-1C drives the rapid establishment of latency with implications for the direct involvement of tat}, journal = {Journal of Virology}, volume = {94}, year = {2020}, month = {OCT}, pages = {e00503-20}, type = {Article}, abstract = {
The magnitude of transcription factor binding site variation emerging in HIV-1 subtype C (HIV-1C), especially the addition of NF-kappa B motifs by sequence duplication, makes the examination of transcriptional silence challenging. How can HIV-1 establish and maintain latency despite having a strong long terminal repeat (LTR)? We constructed panels of subgenomic reporter viral vectors with varying copy numbers of NF-kappa B motifs (0 to 4 copies) and examined the profile of latency establishment in Jurkat cells. Surprisingly, we found that the stronger the viral promoter, the faster the latency establishment. Importantly, at the time of commitment to latency and subsequent points, Tat levels in the cell were not limiting. Using highly sensitive strategies, we demonstrate the presence of Tat in the latent cell, recruited to the latent LTR. Our data allude, for the first time, to Tat establishing a negative feedback loop during the late phases of viral infection, leading to the rapid silencing of the viral promoter. IMPORTANCE Over the past 10 to 15 years, HIV-1 subtype C (HIV-1C) has been evolving rapidly toward gaining stronger transcriptional activity by sequence duplication of major transcription factor binding sites. The duplication of NF-kappa B motifs is unique and exclusive to HIV-1C, a property not shared with any of the other eight HIV-1 genetic families. What mechanism(s) does HIV-1C employ to establish and maintain transcriptional silence despite the presence of a strong promoter and concomitant strong, positive transcriptional feedback is the primary question that we attempted to address in the present manuscript. The role that Tat plays in latency reversal is well established. Our work with the most common HIV-1 subtype, HIV-1C, offers crucial leads toward Tat possessing a dual role in serving as both a transcriptional activator and repressor at different phases of viral infection of the cell. The leads that we offer through the present work have significant implications for HIV-1 cure research.
}, keywords = {HIV-1C, latency, LTR, NF-kappa B, positive feedback, Tat}, issn = {0022-538X}, doi = {10.1128/JVI.00503-20}, author = {Chakraborty, Sutanuka and Kabi, Manisha and Ranga, Udaykumar} } @article {46712, title = {Structural and electrical characterization studies for ternary composite of polypyrrole}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {31}, year = {2020}, month = {NOV}, pages = {18400-18411}, type = {Article}, abstract = {
In this work, temperature dependence of alternate current (AC) and direct current (DC) conductivities of optimized polypyrrole/silver-tantalum oxide (PPy/Ag-Ta2O5), a ternary conducting polymer composite is comparatively studied with those of PPy and PPy/Ag. For the purpose, silver (Ag) nanoparticles were encapsulated with polypyrrole (PPy) by in situ oxidative polymerization to form core-shell structured PPy/Ag composite for which Ag nanoparticles were extracted from green tea. The PPy/Ag composite was then mechanically mixed with tantalum pentoxide (Ta2O5) to form PPy/Ag-Ta(2)O(5)ternary composite. Increase in depth of delocalization band of PPy in ternary composite as compared to those of PPy/Ag composite and PPy, indicating its increased AC conductivity confirmed from the comparative FTIR analyses. Interaction between PPy/Ag composite and Ta(2)O(5)in the ternary composite was confirmed from XRD studies. The formation of core-shell structured PPy/Ag composite and Ta(2)O(5)particles embedded in such PPy/Ag composite to form PPy/Ag-Ta(2)O(5)ternary composite confirmed from TEM and Raman studies. The frequency- and temperature-dependent electrical conductivity studies revealed increase in AC conductivity of the ternary composite as compared to those of PPy/Ag composite and pure PPy attributed mainly to interfacial effects. The charge transport in these samples predicted to be due to correlated barrier hopping of charges was confirmed by calculating their respective AC and DC activation energies.
}, issn = {0957-4522}, doi = {10.1007/s10854-020-04386-4, Early Access Date = SEP 2020}, author = {Megha, R. and Ravikiran, Y. T. and Kumari, S. C. Vijaya and Prakash, H. G. Raj and Revanasiddappa, M. and Manjunatha, S. and Dastager, Syed G. and Thomas, S.} } @article {46693, title = {Structural and enzymatic analysis of a dimeric cholylglycine hydrolase like acylase active on N-acyl homoserine lactones}, journal = {Biochimie}, volume = {177}, year = {2020}, month = {OCT}, pages = {108-116}, type = {Article}, abstract = {
The prevalence of substrate cross-reactivity between AHL acylases and beta-lactam acylases provides a glimpse of probable links between quorum sensing and antibiotic resistance in bacteria. Both these enzyme classes belong to the N-terminal nucleophile (Ntn)-hydrolase superfamily. Penicillin V acylases alongside bile salt hydrolases constitute the cholylglycine hydrolase (CGH) group of the Ntn-hydrolase superfamily. Here we report the ability of two acylases, Slac1 and Slac2, from the marine bacterium Shewanella loihica PV4 to hydrolyze AHLs. Three-dimensional structure of Slac1 reveals the conservation of the Ntn hydrolase fold and CGH active site, making it a unique CGH exclusively active on AHLs. Slac1homologs phylogenetically cluster separate from reported CGHs and AHL acylases, thereby representing a functionally distinct sub-class of CGH that might have evolved as an adaptation to the marine environment. We hypothesize that Slac1 could provide the structural framework for understanding this subclass, and further our understanding of the evolutionary link between AHL acylases and beta-lactam acylases. (C) 2020 Elsevier B.V. and Societe Francaise de Biochimie et Biologie Moleculaire (SFBBM). All rights reserved.
}, keywords = {AHL acylase, Cholyolglycine hydrolase, Homodimer, Ntn-fold, Shewanella loihica-PV4}, issn = {0300-9084}, doi = {10.1016/j.biochi.2020.07.017}, author = {Philem, Pushparani D. and Yadav, Yashpal and Sunder, Avinash Vellore and Ghosh, Deepanjan and Prabhune, Asmita and Ramasamy, Sureshkumar} } @article {46636, title = {Structural and physical analysis of underwater silk from housing nest composites of a tropical chironomid midge}, journal = {International Journal of Biological Macromolecules}, volume = {163}, year = {2020}, month = {NOV }, pages = {934-942}, type = {Article}, abstract = {
Chironomids are an abundant group of aquatic silk spinning insects. They offer a unique opportunity of silk harvestation without killing them; however, they remained underappreciated models in silk research. Here, we investigate the structural and biomechanical characteristics of silk from the midge, Chironomus ramosus. A combination of microscopic (SEM), spectroscopic (CD and IR), structural (XRD), thermal (DSC and TGA) and mechanical measurement tools and techniques were employed to gain critical insights on midge silk. Maximum yield of silk was obtained from Chironomus in similar to 2.5 h, the shortest time reported among insects. The network of water-insoluble silk fibres possessed the smallest diameter of 110 +/- 35 nm, known for any insect silk, qualifying its superiority in fibre fineness. We demonstrate a cruelty-free silk extraction method in contrast to the conventional violent techniques. Structural characterization indicated coexistence of various secondary conformations, beta sheets being predominant. We compare and contrast these features to well-characterized caddisfly and silk-worm silks and highlight the uniqueness in midge silk that render mechanical stability and potentially contribute to its multi-functionalization. We thus propose Chironomus as an emerging candidate of water-borne silk, especially in the context of the {\textquoteleft}Peace silk{\textquoteright} industry, aiming to develop non-violent methods for silk harvestation from animals. (C) 2020 Elsevier B.V. All rights reserved.
}, keywords = {biopolymer, Chironomus, Commercial applications, Housing nest composite, Peace silk, Underwater silk}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.07.070}, author = {Thorat, Leena and Joseph, Emmanuel and Nisal, Anuya and Shukla, Ekta and RaviKumar, Ameeta and Nath, Bimalendu B.} } @article {46846, title = {Structural, electrochemical and catalytic activity of Prussian blue analogues embedded with functionalized carbon for solid state battery applications}, journal = {International Journal of Hydrogen Energy}, volume = {45}, year = {2020}, month = {MAY}, pages = {15317-15326}, type = {Article}, abstract = {
The nanoparticles of Mn-1.5[Cr(CN)(6)]center dot mH(2)O@Ni-1.5[Cr(CN)(6)]center dot nH(2)O core-shell prussian blue analogues (PBA) embedded with carbon additives (PBA-C) were synthesized and characterized as electrode material for solid state battery application. The impedance spectroscopy and cyclic voltametry were used to study the electrochemical properties by adding functionalized carbon in 1:1 proportion to improve the electrical performance. The value of room temperature electrical conductivity of core-shell PBA and core-shell nanoparticles mixed with vulcan carbon (PBA-C) are found to be 1.574 x 10(-3) and 1.92 x 10(-3) Scm(-1), respectively. Using Li2La3Zr2O12 (LZZO) electrolyte, single cell was fabricated with PBA-C material, and studied its charging-discharging cycles, which exhibits higher current density with stable performance for 400 cycles for time slots of 400 min. The study reveals that the PBA core-shell nanoparticles mixed with carbon (PBA-C) may be a potential candidate as an electrode material in the form of a single cell using LZZO electrolyte. (C) 2020 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {cyclic voltametry, Electrolyte, Prussian blue analogues (PBA), Solid state battery, XPS}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2020.03.244}, author = {Shaikh, Shabana P. S. and Bhatt, Pramod and Yusuf, S. M. and Bhange, S. N. and Bansod, Sudhakar and Abdalla, Abdalla M.} } @article {47330, title = {Structural, Hirshfeld surface and in vitro cytotoxicity evaluation of five new N-aryl-N{\textquoteright}-alkoxycarbonyl thiocarbamide derivatives}, journal = {Phosphorus Sulfur and Silicon and the Related Elements}, volume = {195}, year = {2020}, month = {OCT }, pages = {812-820}, type = {Article}, abstract = {
Five new compounds, N-(2, 4-dichlorophenyl)-N{\textquoteright}-(methoxycarbonyl) thiocarbamide (1), N-(2, 4-dichlorophenyl)-N{\textquoteright}-(ethoxycarbonyl) thiocarbamide (2), N-(2, 4-dichlorophenyl)-N{\textquoteright}-(2, 2, 2-trichloroethoxycarbonyl) thiocarbamide (3), N-(2,4-dichlrophenyl)-N{\textquoteright}-(pentoxycarbonyl) thiocarbamide (4) and N-(4-nitrophenyl)-N{\textquoteright}-(pentoxycarbonyl) thiocarbamide (5), have been synthesized by the reaction of various alkoxy chloroformates with 2, 4-dichloroaniline/4-nitroaniline.The molecular structures of the compounds were elucidated by using spectroscopic methods (FT-IR, H-1 and C-13 NMR) and single-crystal X-ray structure analysis of compounds 2 and 5. Antiperiplanar orientation of C = O and C = S group across C-N bonds of thiocarbamide core may be due to the presence of intramolecular (N-H center dot center dot center dot O-C) hydrogen bond in the crystal structure of both the compounds. The presence of intermolecular interactions (C-H center dot center dot center dot S, C-H center dot center dot center dot O and N-H center dot center dot center dot S) in the molecular structure of the compounds has been studied in detail using Hirshfeld surfaces and their associated twodimensional fingerprint plots. In vitro cytotoxicity screening of the synthesized compounds evaluated on a panel of seven human cancer cell lines (cervical carcinoma (2008, C13*), colorectal (HT29 and HCT116) and ovarian carcinoma (A2780, A2780/CP and IGROV-1)) demonstrated significant inhibitory properties.
}, keywords = {Hirshfeld surface analysis, In vitro cytotoxicity, Thiocarbamide, X-ray crystal structure determination}, issn = {1042-6507}, doi = {10.1080/10426507.2020.1756809, Early Access Date = MAY 2020}, author = {Pandey, Sunil K. and Pratap, Seema and Rai, Sunil K. and Marverti, Gaetano} } @article {46879, title = {Structural, molecular, functional and immunological characterization of Wuchereria bancrofti-galectin}, journal = {International Journal of Biological Macromolecules}, volume = {150}, year = {2020}, month = {MAY }, pages = {206-217}, type = {Article}, abstract = {
Galectins regulate growth and differentiation of immune cells and inflammation through their carbohydrate-binding function in humans, while also play a role in parasite survival. This study focused on the galectin of lymphatic filarial parasite Wuchereria bancrofti (Wb-Gal). The multiple sequence alignment with other galectins showed that the Wb-Gal belonged to galactoside binding lectin family, particularly tandem repeat type galectin-9. A homology model of Wb-Gal was developed in the I-TASser server using high similarity 3D structures with a quality score of 89.5. Molecular docking and dynamics studies revealed that the CCRD and NCRD of Wb-Gal bind with galactose and lactose. Further, Wb-Gal was cloned into the pET28 vector, expressed in E. coli Rosetta strain and purified by affinity chromatography. In the hemagglutination assays, the rWb-Gal bound to lactose, galactose, and glucose. Indirect Enzyme-Linked Immunosorbent Assay (ELISA) using different clinical filarial sera showed that the IgG and IgM response was against Wb-Gal x very high in all filarial clinical groups, whereas the IgA and IgG2 response was minimum to negligible. There was an enhanced response of IgG1 and IgG4 antibodies in Microfilaremics (MF) cases compared to Chronic Pathology (CP) and Endemic Normal (EN) individuals. Interestingly, the IgE response was comparatively higher in EN than MF and CP. These studies show that Wb-Gal is a member of the lectin family of proteins binding to different carbohydrates and may have an important role in the pathophysiology of filarial infection which needs to be investigated in greater detail. (C) 2020 Elsevier B.V. All rights reserved.
}, keywords = {Filariasis, Hemagglutination assay, Immunomodulation, Wuchereria bancrofti galectin}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.02.024}, author = {Yasin, Nazeer and Laxmanappa, Hoti Sugerappa and Muddapur, Uday M. and Cheruvathur, Jennifer and Prakash, S. M. Udaya and Thulasiram, Hirekodathakallu Venkataramaiah} } @article {46914, title = {Structural studies on 10-hydroxygeraniol dehydrogenase: a novel linear substrate-specific dehydrogenase from Catharanthus roseus}, journal = {Proteins-Structure Function and Bioinformatics}, volume = {88}, year = {2020}, month = {SEP}, pages = {1197-1206}, type = {Article}, abstract = {
Conversion of 10-hydroxygeraniol to 10-oxogeranial is a crucial step in iridoid biosynthesis. This reaction is catalyzed by a zinc-dependent alcohol dehydrogenase, 10-hydroxygeraniol dehydrogenase, belonging to the family of medium-chain dehydrogenase/reductase (MDR). Here, we report the crystal structures of a novel 10-hydroxygeraniol dehydrogenase from Catharanthus roseus in its apo and nicotinamide adenine dinucleotide phosphate (NADP(+)) bound forms. Structural analysis and docking studies reveal how subtle conformational differences of loops L1, L2, L3, and helix alpha 9{\textquoteright} at the orifice of the catalytic site confer differential activity of the enzyme toward various substrates, by modulating the binding pocket shape and volume. The present study, first of its kind, provides insights into the structural basis of substrate specificity of MDRs specific to linear substrates. Furthermore, comparison of apo and NADP(+) bound structures suggests that the enzyme adopts open and closed states to facilitate cofactor binding.
}, keywords = {10-hydroxygeraniol dehydrogenase, iridoid biosynthesis, medium-chain dehydrogenase, monoterpene indole alkaloids, reductase, X-ray crystallography}, issn = {0887-3585}, doi = {10.1002/prot.25891, Early Access Date = MAR 2020}, author = {Sandholu, Anand S. and Mujawar, Sharmila P. and Ramakrishnan, Krithika and Thulasiram, Hirekodathakallu V. and Kulkarni, Kiran} } @article {46656, title = {Structure and regulation of SWEET transporters in plants: an update}, journal = {Plant Physiology and Biochemistry}, volume = {156}, year = {2020}, month = {NOV}, pages = {1-6}, type = {Review}, abstract = {
Sugar will eventually be exported transporters (SWEETs), a novel family of sugar transporters found in both eukaryotes and prokaryotes, facilitate sugar flux across the cell membrane. Although these transporters were first discovered in plants, their homologs have been reported in different organisms. SWEETs have critical roles in various developmental processes, including phloem loading, nectar secretion, and pathogen nutrition. The structure of bacterial homologs, called SemiSWEETs, has been well studied thus far. Here, we provide an overview of SWEET protein structure and dynamic function by analyzing the solved crystal structures and predicted models that are available for a few SWEETs in a monocot plant (rice) and dicot plant (Arabidopsis thaliana). Despite the advancement in structure-related studies, the regulation of SWEETs remains unknown. In light of reported regulatory mechanisms of a few other sugar transporters, we propose the regulation of SWEETs at the post-translational level. We then enumerate the potential post-translational modification sites in SWEETs using computational tools. Overall, in this review, we critically analyze SWEET protein structure in plants to predict the post-translational regulation of SWEETs. Such findings have a direct bearing on plant nutrition and defense and targeting the regulation at these levels will be important in crop improvement.
}, keywords = {oligomerization, Phosphorylation, Post-translational modification, Sugar transporters, Sugar will eventually be exported transporters}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2020.08.043}, author = {Anjali, Anjali and Fatima, Urooj and Manu, M. S. and Ramasamy, Sureshkumar and Senthil-Kumar, Muthappa} } @article {46938, title = {Study of interfacial adhesion between nickel-titanium shape memory alloy and a polymer matrix by laser surface pattern}, journal = {Applied Sciences-Basel}, volume = {10}, year = {2020}, month = {MAR}, pages = {2172}, type = {Article}, abstract = {
The aim of this article is to investigate the interfacial adhesion of Ni-Ti shape memory alloy with a polymer matrix of Poly (methyl methacrylate) (PMMA). The surface pattern on Ni-Ti plates was channeled by a solid state laser machine. The laser machine allows for creating channels on the Ni-Ti surface for infiltration of the PMMA matrix, which could be attached as an intra-surface locking pattern to the Ni-Ti surface. The influence of the PMMA matrix on the surface of the NiTi plate was evaluated by thermomechanical analysis (TMA) and dynamic mechanical analysis (DMA). The surface characterization was carried out by an optical microscope on the PMMA/NiTi composite after mechanical testing. During mechanical testing, the polymer displays the multiple cracks in the longitudinal direction that result in slipping and fracture. TMA and DMA analyses were performed on the Ni-Ti- and PMMA-coated Ni-Ti ribbon to observe elasticity and the storage modulus for both samples. Better adhesion than 80 \% was observed in the Ni-Ti surface, in the laser surface pattern, in comparison to the free plain surface. However, the polymer acts as mechanical backing that caused a reduction in the shape-memory properties of the composite material.
}, keywords = {adhesion, mechanical properties, NiTi composites, NiTi plate, PMMA, Polymer, surface features}, doi = {10.3390/app10062172}, author = {Samal, Sneha and Tyc, Ondrej and Heller, Ludek and Sittner, Petr and Malik, Monika and Poddar, Pankaj and Catauro, Michelina and Blanco, Ignazio} } @article {46935, title = {Study of the phase-evolution mechanism of an Fe-Se system at the nanoscale: optimization of synthesis conditions for the isolation of pure phases and their controlled growth}, journal = {Langmuir}, volume = {36}, year = {2020}, month = {MAR }, pages = {2012-2022}, type = {Article}, abstract = {
The iron selenide (Fe-Se) family of nanoparticles (FexSey-where x/y ranges from 1:2 to 1:1) has been fabricated by a thermal decomposition method. The control over solution chemistry has been developed by intensively investigating the effect of reaction parameters by means of wide-angle X-ray scattering, leading to the rich insights into the phase-evolution mechanism of the Fe-Se system. The phase transformation followed the FeSe2 -\> Fe3Se4 -\> Fe7Se8 -\> FeSe sequence in the temperature range of 110-300 degrees C. The deep mechanistic insight helped in the identification of optimized conditions needed to crystallize the individual phase of the Fe-Se system as well as control of the morphology, crystalline phase purity, and thermal stability of the obtained Fe-Se nanoparticles.
}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.9b03643}, author = {Ghalawat, Monika and Poddar, Pankaj} } @article {46736, title = {Sunlight assisted improved photocatalytic degradation of rhodamine B using Pd-loaded g-C3N4/WO(3)nanocomposite}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {126}, year = {2020}, month = {AUG}, pages = {724}, type = {Article}, abstract = {
Effective photocatalytic degradation of organic toxic dyes from industrial effluents using low-cost nanomaterials as a photocatalyst under sunlight promises for water purification and environmental recovery. The present work is focused on the synthesis of Palladium (Pd) loaded g-C3N4/WO(3)nanocomposite using a facile method and its photocatalytic degradation of Rhodamine B (RhB) using under sunlight. The results of the photocatalytic dye degradation experiment show that Pd loaded g-C3N4/WO(3)nanocomposite photocatalyst degrades 98\% of RhB in 40 min of sunlight illumination. This remarkable photocatalytic degradation performance of Pd loaded g-C3N4/WO(3)nanocomposite mainly attributed due to their intrinsic photocatalytic activity and co-existence of enhanced light absorbance and efficient charge transfer process in between the g-C3N4/WO(3)heterojunction. The durability testing experiments indicate that Pd loaded g-C3N4/WO(3)nanocomposite photocatalyst could be effectively reused and possesses high photochemical structural stability even after several recycle process. Present experimental results demonstrated highly encouraging photo-degradation response of Pd loaded g-C3N4/WO(3)nanocomposite photocatalyst at outdoor conditions paves the way for the development of energy conversion and environmental remediation process.
}, keywords = {Nanocomposite, Palladium loading, Photocatalysis, Photodegradation, Rhodamine B, Sunlight}, issn = {0947-8396}, doi = {10.1007/s00339-020-03914-7}, author = {Alman, Vidya and Singh, Kirti and Bhat, Tejasvinee and Sheikh, Arif and Gokhale, Suresh} } @article {46665, title = {Surface functionalization: an efficient alternative for promoting the catalytic activity of closed shell gold clusters}, journal = {Physical Chemistry Chemical Physics}, volume = {22}, year = {2020}, month = {OCT }, pages = {23351-23359}, type = {Article}, abstract = {
{Surface functionalization through adsorption of ligands or non-metal atoms is considered to be an interesting and viable approach for tuning the physicochemical properties of gold clusters. Highly stable and magic numbered electronic configurations of thiolate protected gold clusters such as Au-25(SR)(18), Au-38(SR)(24)etc. with intriguing properties are the direct manifestation of the rich chemistry of the Au-S interface. The present investigation discerns the CO oxidation activity of structurally well characterized sulphur functionalized gold cluster anions AumS4-
}, issn = {1463-9076}, doi = {10.1039/d0cp01918f}, author = {Joshi, Krati and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {46786, title = {SWATH-MS based quantitative proteomics analysis to evaluate the antileishmanial effect of Commiphora wightii- Guggul and Amphotericin B on a clinical isolate of Leishmania donovani}, journal = {Journal of Proteomics}, volume = {223}, year = {2020}, month = {JUL }, pages = {103800}, type = {Article}, abstract = {
The present study provides comprehensive proteomics analyses of the response of L. donovani parasite to pharamacological stress in vitro. Identification of differentially expressed proteins with associated molecular functions and metabolic pathways, clearly provides an insight into the potential mechanism of the antileishmanial effects as well as a comparative response of the parasite to Guggul and AmB. Treatment of parasite with AmB results in an enhanced modulatory mechanism to counteract the drug induced stress which may have contributed to relapse. In the case of Guggul treatment, an effective antipromastigote activity was observed, which is being reported for the first time. Thus, a deeper understanding of the molecular pathways in the Leishmania parasite in response to pharmacological stress would help in designing novel and effective strategies in targeting the key molecules essential for parasite survival. It will also help in screening of new lead molecules targeting these vital pathways which could be used as an adjunct therapy along with the limited repertoire of antileishmanial drugs.
}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.103800}, author = {Bar Routaray, Chinmayee and Bhor, Renuka and Bai, Shakuntala and Kadam, Nitin Suryakant and Jagtap, Surabhi and Doshi, Pooja Jignesh and Sundar, Shyam and Sawant, Sangeeta and Kulkarni, Mahesh J. and Pai, Kalpana} } @article {46735, title = {Synthesis and antimycobacterial screening of new 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-3-yl)quinoline derivatives}, journal = {Journal of Heterocyclic Chemistry}, volume = {57}, year = {2020}, month = {NOV}, pages = {3918-3929}, type = {Article}, abstract = {
A new series of 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-3-yl)quinoline (6a-t) have been synthesized by a click reaction of 4-(4-ethynyl-1-phenyl-1H-pyrazol-3-yl)quinoline (4a-d) with a substituted benzyl azide (5a-e). The starting alkyne derivatives4a-dare obtained from Bestmann-Ohira reaction of 1-phenyl-3-(quinolin-4-yl)-1H-pyrazole-4-carbaldehyde and dimethyl(1-diazo-2-oxopropyl)phosphonate. The newly synthesized compounds are screened againstM. tuberculosisH37Ra dormant and active,Escherichia coli,Pseudomonas fluorescence,Staphylococcus aureusandBacillus subtilisstrains at 30 mu g/mL concentration. Most of the screened compounds showed good to moderate antibacterial activity againstS. aureus,B. subtilis, andMycobacterium tuberculosisH37Ra strains. The synthesized derivatives of quinolinyl-pyrazole-4-carbaldehyde and quinolinyl-pyrazole-4-ethyne reportd good to moderate activity against both strains ofM. tuberculosisH37Ra. Ten derivatives of quinolinyl-pyrazole presented good activity againstB. subtilis. These results suggested that further optimization and development of quinolinyl-pyrazolyl-1,2,3-triazole moeity could serve as lead compounds for antimycobacterial activity.
}, issn = {0022-152X}, doi = {10.1002/jhet.4101, Early Access Date = AUG 2020}, author = {Thakare, Prashant P. and Walunj, Yogesh and Chavan, Abhijit and Bobade, Vivek D. and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {46864, title = {Synthesis and biological activity of imidazole based 1,4-naphthoquinones}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAY }, pages = {6889-6901}, type = {Article}, abstract = {
Design and development of drugs in multi-drug resistant (MDR) infections have been of growing interest. We report the syntheses, and antibacterial and antifungal activities of imidazole-based 1,4-naphthoquinones (I-1 to I-4; 1-alkyl-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione (alkyl = methyl to butyl)) and their precursors (B-3; N-(3-chloro-1,-dioxo-1,4-dihydronaphthalen-2-yl)acetamide) and A-1 to A-4; N-(3-(alkylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide (alkyl = methyl to butyl). Crystal structures of B-3, A-1 to A-3 and I-2 to I-4 were obtained through single crystal X-ray diffraction experiments. Electronic structure and charge distribution have further been characterized with the use of Density Functional Theory. Seven of these derivatives display a broad spectrum of antibacterial activity against few selected bacterial strains (Gram-positive and Gram-negative). As demonstrated MIC values with B-2 and B-3 against bacterial isolates were 8-64 mu g ml(-1) and those against pathogenic yeast, C. albicans, were observed in the range of 128-256 mu g ml(-1). MIC data of these derivatives suggest them to be promising against pathogens.
}, issn = {1144-0546}, doi = {10.1039/c9nj04339j}, author = {Choudhari, Dinkar and Salunke-Gawali, Sunita and Chakravarty, Debamitra and Shaikh, Samir R. and Lande, Dipali N. and Gejji, Shridhar P. and Rao, Pradeep Kumar and Satpute, Surekha and Puranik, Vedavati G. and Gonnade, Rajesh} } @article {46809, title = {Synthesis and characterization of biocompatible poly (L-lactide) using zinc (II) salen complex}, journal = {International Journal of Polymer Analysis and Characterization}, volume = {25}, year = {2020}, month = {JUL }, pages = {283-299}, type = {Article}, abstract = {
A biocompatible zinc (II) complex based on a tetradentate N,N,O,O-type salen ligand was synthesized, characterized and used for the solvent-free ring-opening polymerization (ROP) of L-lactide in bulk at 180 degrees C to prepare high molecular weight poly(L-lactide) (M-n: 82,600 Da;M-w: 140,000 Da; PDI: 1.70). Poly(L-lactide) (PLLA) was characterized using FTIR,H-1 NMR,C-13 NMR, GPC, TGA, DSC, WAXD, and MALDI-ToF. Kinetic measurement was carried out and first-order behavior to monomer was observed. Thek(app)was found as 6 +/- 0.001 x 10(-4 )s(-1). The biocompatibility of the PLLA was confirmed byin vitrocytotoxicity against NIH/3T3 fibroblast cell line and can be used in biomedical applications.
}, keywords = {Biocompatible, Biomedical Applications, in vitro, PLLA, zinc (II) salen complex}, issn = {1023-666X}, doi = {10.1080/1023666X.2020.1783496, Early Access Date = JUN 2020}, author = {Rade, Priyanka P. and Garnaik, Baijayantimala} } @article {47138, title = {Synthesis and characterization of nylon 6 polymer nanocomposite using organically modified Indian bentonite}, journal = {SN Applied Sciences}, volume = {2}, year = {2020}, month = {JUL}, pages = {Article number: 1412}, type = {Article}, abstract = {
In this present research work two different organic compounds are applied for the modification of Indian origin bentonite. One\ is with n-hexadecyltrimethylammonium bromide (CTAB), intercalated with an\ interlayer of bentonite via cation exchange mechanism. Whereas, another with 3-Aminopropyl trimethoxysilane (APTES) interlayer functionalization with bentonite {\textendash}OH group. APTES and CTAB{\textendash}intercalated bentonites samples were further cross modified with CTAB and APTES to obtain novel co-surfactant locked organo bentonite modeling (CLOM) like matrices. Original and modified bentonite samples were comparatively evaluated by advanced characterization techniques such as, powder X-ray diffraction, Fourier-transform infrared spectroscopy, thermal gravimetric analysis (TGA). Moreover,\ the\ applicability of the developed CLOM like materials were investigated in nylon 6 nanocomposite preparation by melt compounding method using a micro twin co-rotated extruder. Additionally, CLOM-nylon-6 polymer nanocomposites were characterized by wide angle X-ray diffraction, TGA, differential scanning calorimetry, atomic force microscopy and tensile strength measurement. The observed thermograph results confirmed no significant difference in the thermal properties of the developed composites. Whereas, the significant variation observed in the tensile strength results particularly for developed composite 5\% of N6-OAMSB and N6 AMOSB 5 showed 111.5 and 76.6\% respective enhancement in tensile strength results when compared with a bare nylon-6 polymer.
}, doi = {10.1007/s42452-020-2579-5}, author = {Kumaresan, S. and Rokade, Dhammaraj S. and Marathe, Yogesh N. and Ingole, Pravin G. and Pawar, Radheshyam R. and Pol, Harshawardhan V. and Bajaj, Hari C.} } @article {46928, title = {Synthesis and characterization of supported heteropoly acid: efficient solid acid catalyst for glycerol esterification to produce biofuel additives}, journal = {Inorganic and Nano-Metal Chemistry}, volume = {50}, year = {2020}, month = {NOV }, pages = {1157-1165}, type = {Article}, abstract = {
Esterification of glycerol with acetic acid has been studied with different solid acid catalysts, prepared by impregnating phospotungustic, silicotungstic, and phosphomolybdic acids on polymeric material polyvinylpyrrolidone. These results were compared with commercially available montmorillonite KSFO catalyst showed that PVP-DTP gave higher selectivity to di- and triacetins. This study was mainly focused on increasing the selectivity toward triacetin which is an excellent alternative to fossil fuel based fuel additives. The detail characterization was done for the PVP-DTP catalyst which gave complete conversion of glycerol and maximum selectivity of 34\% toward triacetin. Complete conversion of glycerol was achieved at 110 degrees C within 6 h of reaction time. The characterization of the catalyst was performed by SEM/EDX, X-ray diffraction, thermogravimetic techniques, and FT-IR analysis.TPD-NH3 characterization showed that DTP supported on PVP increases the catalyst acidity of PVP. The highest acidity of PVP-DTP is also confirmed using NH3-TPD analysis.
}, keywords = {Glycerol, phospostugustic acid, povidone, solid acid catalyst, triacetin}, issn = {2470-1556}, doi = {10.1080/24701556.2020.1737817, Early Access Date = MAR 2020}, author = {Magar, Subhash and Mohanraj, Govindraj T. and Jana, Sumit Kumar and Rode, V, Chandrashekhar} } @article {46960, title = {Synthesis, characterisation, Hirshfeld surface and in vitro cytotoxicity evaluation of new N-aryl-N {\textquoteleft}-Alkoxycarbonyl thiocarbamide derivatives}, journal = {Journal of Molecular Structure}, volume = {1202}, year = {2020}, month = {FEB}, pages = {127269}, type = {Article}, abstract = {
Four new compounds N-(4-nitrophenyl)-N{\textquoteright}-(isobutoxycarbonyl) thiocarbamide (1), N-(2, 4-nitrophenyl)-N{\textquoteright}-(isobutoxycarbonyl) thiocarbamide (2), N-(4-nitrophenyl)-N{\textquoteright}-(ethoxycarbonyl) thiocarbamide (3) and N-(2-Chloro- 4-nitrophenyl)-N{\textquoteright}-(ethoxycarbonyl) thiocarbamide (4) were prepared and their structures confirmed by using various spectroscopic (FT-IR, UV-Visible, H-1 and C-13 NMR) and single crystal X-ray studies of 1 and 3. The presence of intramolecular (N-H center dot center dot center dot O=C) hydrogen bond in the crystal structure of both the compounds causes planarity of carbonyl thiocarbamide unit and trans orientation of C=O and C=S group. The intermolecular contacts (C-H center dot center dot center dot S, C-H center dot center dot center dot O and N-H center dot center dot center dot S) present in crystal structures have been examined by Hirshfeld surface analysis and their associated 2D fingerprint plots. All the compounds were assessed for their in vitro cytotoxic properties against a panel of seven human cancer cells such as cervical carcinoma (2008, C13*), colorectal (HT29 and HCT116) and ovarian carcinoma (A2780, A2780/CP and IGROV-1). Among them, compounds 2 and 4 exhibited better activity than 1 and 3 against all the cell lines tested. (C) 2019 Elsevier B.V. All rights reserved.
}, keywords = {Hirshfeld surface analysis, In vitro cytotoxicity, Thiocarbamide, X-ray crystal structure}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2019.127269}, author = {Pandey, Sunil K. and Pratap, Seema and Rai, Sunil K. and Marverti, Gaetano and Kaur, Manpreet and Jasinski, Jerry P.} } @article {46647, title = {Synthesis, characterization and catalytic study of mesoporous carbon materials prepared via mesoporous silica using non-surfactant templating agents}, journal = {Journal of Porous Materials}, year = {2020}, month = {NOV}, type = {Article; Early Access}, abstract = {
Mesostructured silica materials with surface area in the range of similar to 700-900 m(2)/g have been prepared using hydroxy-carboxylic acid compounds such as tartaric acid, malic acid and citric acid (low cost non-surfactant template/pore forming agents) and tetraethylorthosilicate (TEOS) as silica source by sol-gel reaction. The templates were removed by either soxhlet extraction or calcination method. Mesoporous carbon molecular sieves were then prepared by carbonizing sucrose inside the pores of the above prepared mesoporous silica using sulfuric acid as a catalyst. The materials were characterized by FTIR spectroscopy, powder X-ray diffraction (XRD), N-2-sorption studies, microanalysis, thermal analysis and transmission electron microscopy (TEM). The resulting carbon material shows relatively higher surface area (similar to 1100 m(2)/g), narrow pore size distribution and pore diameter of 4-5 nm. The mesoporosity of carbon material arises from interconnecting channels arrangements of mesoporous silica template. The mesoporous carbon material was used as a support for the immobilization of rhodium complex [HRhCO(TPPTS)(3)] by ossification method. The prepared catalyst has been tested for the hydroformylation of higher olefins. The activity of the catalyst was improved by 20-30\% as compared to the catalyst prepared from a conventional activated carbon support.
}, keywords = {Carbonization, Hydroformylation, Immobilization, Low cost templates, mesoporous carbon, Mesoporous silica}, issn = {1380-2224}, doi = {10.1007/s10934-020-01003-x}, author = {Pagar, Nitin S. and Karandikar, Prashant R. and Chandwadkar, Asha J. and Deshpande, Raj M.} } @article {47312, title = {Synthesis, crystal structure and Hirshfeld surface analysis of the hydrated form of N{\textquoteright}, N-(1,4-phenylenebis(methanylylidene) di(iso-nicotinic hydrazide)}, journal = {Chemical Data Collections}, volume = {28}, year = {2020}, month = {AUG}, type = {Article}, abstract = {
The title compound, C20H16N6O2\ was synthesized by reflux with isonicotinic hydrazide and terephthaldehyde in ethanol solvent with the acidic condition. The single-crystal X-ray structure determination of the title compound,\ N, N-(1,4-phenylene bis (methanylylidene) di(iso-nicotinic hydrazide), reveals that the molecule crystallizes in center of symmetry with water molecules (Dihydrated form, C20H16N6O2.2H2O) through N-H...O and C-H...O hydrogen bondings. Further, the crystal structure is stabilized by O-H...O and weak C-H...N hydrogen bondings with the formation of infinite chain and dimer. Further, surface analysis and fingerprint plot reveal that the significant hydrogen bonding such as H{\textbullet}{\textbullet}{\textbullet}O (15.9\%) and N{\textbullet}{\textbullet}{\textbullet}H (11.4\%) interactions play the most crucial role for its molecular packing.
}, doi = {10.1016/j.cdc.2020.100401}, author = {Ingle, Kapil S. and Mohurle, Smital A. and Bairagi, Keshab M. and Shaikh, Tabrez R. and Venugopala, Katharigatta N. and Chandrashekharappa, Sandeep and Gonnade, Rajesh G. and Nayak, Susanta K.} } @article {46849, title = {Synthesis of 2-azabicyclo[m.n.0]-alkanes and their application towards the synthesis of strychnos and stemona classes of alkaloids}, journal = {European Journal of Organic Chemistry}, volume = {2020}, year = {2020}, month = {JUL }, pages = {3883-3888}, type = {Article}, abstract = {
2-Azabicyclo[m.n.0]alkane ring systems, the conceptual precursors towards the synthesis of Strychnos and Stemona classes of alkaloids, were synthesized from tert-butyl 2-(phenylsulfonyl)-7-aza-bicyclo[2.2.1]hept-2-ene-7-carboxylate by alkyl Grignard reaction and intramolecular cyclisation of the in situ generated ring opening product 2. The synthesized cis-hexahydroindole 3 and cis-octahydro-benzo[b]azepine 5 scaffolds were utilized to construct the advanced intermediates 25 and 35, respectively, towards the synthesis of the corresponding Strychnos and Stemona classes of alkaloids.
}, keywords = {alkaloids, amines, Grignard reaction, Michael addition, Natural products}, issn = {1434-193X}, doi = {10.1002/ejoc.202000507, Early Access Date = MAY 2020}, author = {Majumder, Binoy and Pandey, Ganesh} } @article {46820, title = {Synthesis of alpha-ketoamides using potassium superoxide (KO2) as an oxidizing agent}, journal = {Tetrahedron}, volume = {76}, year = {2020}, month = {JUN }, pages = {131262}, type = {Article}, abstract = {
A simple and convenient method for the synthesis of alpha-ketoamides by the oxidation of aryl acetamides using potassium superoxide (KO2) as an oxidizing agent is disclosed here. The scope of the developed method is successfully tested with fifteen substrates. In addition, the utility of method has been demonstrated by synthesizing an orexin receptor antagonist, a medicinally interesting compound. (C) 2020 Published by Elsevier Ltd.
}, keywords = {alpha-Ketoamide, Orexin receptor, Oxidation, Potassium superoxide (KO2)}, issn = {0040-4020}, doi = {10.1016/j.tet.2020.131262}, author = {Vasudevan, N. and Routholla, Ganesh and Illa, Giri Teja and Reddy, D. Srinivasa} } @article {46912, title = {Synthesis of artemisinic acid derived glycoconjugates and their anticancer studies}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {MAR}, pages = {2252-2263}, type = {Article}, abstract = {
Glycoconjugates, due to their diverse functions, are widely regarded as biologically important molecules. Artemisinic acid 1 occurs naturally in the plant Artemisia annua and is considered to be the biogenetic precursor of the antimalarial drug, artemisinin 2. We report herein the design and synthesis of diverse artemisinic acid derived glycoconjugates. We have synthesized 12-O-artemisinic acid-glycoconjugates (7a-k) and 12-N-artemisinic acid-glycoconjugates (8a-k) by utilizing Cu(i)-catalyzed azide-alkyne cycloaddition reactions (Click chemistry) with various synthesized sugar azides (6a-k) in good to excellent yields along with two fluorescently labeled compounds, 12-O-artemisinic acid-glycoconjugate 11 and 12-N-artemisinic acid-glycoconjugate 12, to investigate the mode of action of these compounds in biological systems. All the synthesized artemisinic acid glycoconjugates were assayed for their efficacy against the MCF7 cell line. Our anticancer studies indicated that all the synthesized compounds inhibited the growth of MCF7 cells in a dose dependent manner, barring compounds 4 and 7d. However, these compounds exhibit moderate cytotoxicity, as is evident from their IC50 values.
}, issn = {1477-0520}, doi = {10.1039/d0ob00216j}, author = {Kotammagari, Tharun K. and Paul, Sayantan and Barik, Ganesh K. and Santra, Manas K. and Bhattacharya, Asish K.} } @article {46987, title = {Synthesis of deuterated isopentyl pyrophosphates for chemo-enzymatic labelling methods: GC-EI-MS based 1,2-hydride shift in epicedrol biosynthesis (Retraction of Vol 9, Pg 28258, 2019)}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN }, pages = {4189}, type = {Retraction}, abstract = {
Retraction of {\textquoteleft}Synthesis of deuterated isopentyl pyrophosphates for chemo-enzymatic labelling methods: GC-EI-MS based 1,2-hydride shift in epicedrol biosynthesis{\textquoteright} by Madhukar S. Said et al., RSC Adv., 2019, 9, 28258-28261.
}, doi = {10.1039/d0ra90009e}, author = {Said, Madhukar S. and Navale, Govinda R. and Gajbhiye, Jayant M. and Shinde, Sandip S.} } @article {46790, title = {Synthesis of diverse nitrogen fused polycyclic dihydroisoquinoline (DHIQ) derivatives via GBB-based cyclic iminium induced double-annulation cascade}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {JUL}, pages = {152101}, type = {Article}, abstract = {
A highly efficient and distinct Bronsted acid-mediated unprecedented cyclic iminium induced double annulation cascade (DAC) protocol for the synthesis of novel dihydroindazolo[30,20:2,3]imidazo[5,1-a]isoquinolinamines has been achieved through the three-component Groebke-Blackburn-Bienayme reaction. The transformation is based on sequential cascade processes involving imine formation followed by an intramolecular nucleophilic substitution to generate a highly reactive cyclic iminium species, which would undergo a rapid [4 + 1] formal cycloaddition steps in one-pot fashion. This strategy provides novel skeletally diverse complex nitrogen fused polycyclic DHIQ derivatives by employing readily available substrates and a simple procedure, which would render this method potentially useful in organic synthesis. (C) 2020 Elsevier Ltd. All rights reserved.
}, keywords = {diversity-oriented synthesis, Excellent yields, GBB-based approach, Novel polycyclic N-fused architecture, Scalable}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.152101}, author = {Balwe, Sandip Gangadhar and Vagh, Sandip S. and Jeong, Yeon Tae} } @article {46967, title = {Synthesis of ethyl furfuryl ether (potential biofuel) by etherification of furfuryl alcohol with ethanol over heterogenized reusable H1Cs2PW12O40 catalyst}, journal = {Research on Chemical Intermediates}, volume = {46}, year = {2020}, month = {APR}, pages = {2309-2325}, type = {Article}, abstract = {
{Ethyl furfuryl ether (EFE) considered as potential biofuel can replace petroleum diesel up to 100\%. EFE also has efficient blending properties with biodiesel to improve its cold flow properties. Herein we demonstrate efficient synthesis of EFE by etherification of renewable furfuryl alcohol (FAlc) with ethanol over heterogenized heteropoly acids. Cs-exchanged heterogenized heteropoly acid (H3-xCsxPW12O40
}, keywords = {B, etherification, Ethyl furfuryl ether, Furfuryl alcohol, H3-xCsxPW12O40, Heterogenized heteropoly acid, L ration}, issn = {0922-6168}, doi = {10.1007/s11164-020-04093-z, Early Access Date = FEB 2020}, author = {Mulik, Nagesh L. and Niphadkar, Prashant S. and Bokade, Vijay V.} } @article {46990, title = {Synthesis of high surface area porous carbon from anaerobic digestate and it{\textquoteright}s electrochemical study as an electrode material for ultracapacitors (vol 9, pg 36343, 2019)}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN}, pages = {3991}, type = {Correction}, abstract = {
Correction for {\textquoteleft}Synthesis of high surface area porous carbon from anaerobic digestate and it{\textquoteright}s electrochemical study as an electrode material for ultracapacitors{\textquoteright} by Vikash Chaturvedi et al., RSC Adv., 2019, 9, 36343-36350.
}, doi = {10.1039/d0ra90003f}, author = {Chaturvedi, Vikash and Usgaonkar, Saurabh and Shelke, Manjusha V.} } @article {46826, title = {Synthesis of novel of 2, 5-disubstituted 1, 3, 4-oxadiazole derivatives and their in vitro anti-inflammatory, anti-oxidant evaluation, and molecular docking study}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {30}, year = {2020}, month = {JUN}, pages = {127136}, type = {Article}, abstract = {
A series of novel 2, 5-disubstituted 1, 3, 4-Oxadiazole derivatives as a potential anti-inflammatory, and antioxidant agent were synthesized via cyclisation. Hydrazide molecule treated with substituted acids in the presence of phosphorus oxychloride (POCl3) as an efficient reagent as well as solvent by conventional method with shorter reaction time and excellent yield. The newly synthesized 1, 3, 4-oxadiazole derivatives exhibited excellent to good anti-inflammatory and anti-oxidant activities compaired to the standard drugs. Molecular docking study on the crucial anti-inflammatory target-cyclooxygenase-2 (COX-2) revealed the ability of the scaffold to correctly recognize the active site and achieve significant bonded and non-bonded interactions with key residues therein. This study could identify potential compounds which can be pertinent starting points for structure-based drug design to obtain newer anti-inflammatory agents.
}, keywords = {1, 3, 4-Oxadiazole, Anti-inflammatory, Anti-Oxidant, Biological activity, computational chemistry}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127136}, author = {Kashid, Bharat B. and Salunkhe, Pravin H. and Dongare, Balasaheb B. and More, Kishor R. and Khedkar, Vijay M. and Ghanwat, Anil A.} } @article {46873, title = {Synthesis of phospho-polypeptides via phosphate-containing N-carboxyanhydride: application in enzyme-induced self-assembly, and calcium carbonate mineralization}, journal = {ChemPlusChem}, volume = {85}, year = {2020}, month = {MAY}, pages = {1053-1064}, type = {Article}, abstract = {
An easy synthetic strategy was developed to synthesize the phosphate-functionalized amino acid N-carboxyanhydride (NCA), using simple primary amine initiators to obtain homo and block phospho-polypeptides with controlled molecular weight and molecular weight distribution. The methodology was extended to the synthesis of the end-functionalized homo polypeptides (15 to 50 repeat unit) and block co-polypeptides with PEG (0.7 K, 2 K, and 5 K) and glycopolypeptide (15-unit mannose glycopolypeptide) as one of the blocks. The deprotected fully water-soluble anionic phosphate-based polypeptides showed pH-dependent helical conformation with a helical content of 20 \%, which further changed to beta-sheets upon addition of the enzyme alkaline phosphatase (ALP) due to dephosphorylation. The block co-polypeptide containing PEG as one of the blocks led to its self-assembly into colloidal structures, such as vesicles with a hydrodynamic diameter of similar to 250 nm, due to the formation of amphiphilic block co-polymer upon dephosphorylation. The nature of the colloidal structures formed can be temporally controlled by the extent of dephosphorylation. Finally, the phospho-polypeptides serve as a template for the mineralization of calcium carbonate with varying polymorphs and morphologies.
}, keywords = {Biomineralization, enzymes, phosphopolypeptides, Proteins, Self-assembly}, issn = {2192-6506}, doi = {10.1002/cplu.202000322}, author = {Mondal, Basudeb and Das, Soumen and Panda, Sidharth and Dutta, Tahiti and Sen Gupta, Sayam} } @article {46946, title = {Synthesis of silver nanoparticles colloids in imidazolium halide ionic liquids and their antibacterial activities for gram-positive and gram-negative bacteria}, journal = {Chemosphere}, volume = {243}, year = {2020}, month = {MAR}, pages = {125302}, type = {Article}, abstract = {
Four 1-butyl-3-methylimidazolium halide ionic liquids were synthesized via metathesis and anion exchange reactions. Silver nanoparticles (AgNPs) colloids were synthesized in four ionic liquids in the pressurized reactor by reduction of silver nitrate with hydrogen gas, without adding solvents or stabilizing agents. Antibacterial activities of base ionic liquids and AgNPs colloids in ionic liquids were reviewed by well-diffusion method for gram-positive Bacillus cereus (NCIM-2155) and gram-negative Escherichia coli (NCIM-2931) bacteria. Antibacterial activities of ionic liquids and AgNPs colloids in ionic liquids were observed to be controlled by ionic liquids anions and AgNPs particle size. The 1 -butyl-3-methylimidazolium iodide ionic liquid exhibited higher antibacterial activities among the studied ionic liquids. Further, the presence of AgNPs in 1-butyl-3-methylimidazolium iodide, ionic liquid enhanced its antibacterial activity for Bacillus cereus and Escherichia coli bacteria. (C) 2019 Elsevier Ltd. All rights reserved.
}, keywords = {Anion effect, antibacterial activity, Imidazolium halides, ionic liquids, silver nanoparticles}, issn = {0045-6535}, doi = {10.1016/j.chemosphere.2019.125302}, author = {Patil, Virendra and Mahajan, Swapnil and Kulkarni, Mohan and Patil, Kashinath and Rode, Chandrashekhar and Coronas, Alberto and Yi, Gi-Ra} } @article {46956, title = {Tale of biphenyl and terphenyl substituents for structurally diverse ketiminato magnesium, calcium and germanium complexes}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {MAR}, pages = {820-827}, type = {Article}, abstract = {
In this paper, we have used two N,O-ketiminato ligands (L1 and L2) with biphenyl and terphenyl substituent on the nitrogen atom. Deprotonation of L1 with KN(SiMe3)(2) and subsequent reaction with MgI2 led to a homoleptic dinuclear magnesium complex (1) with a Mg2O2 four-membered ring. Deprotonation with nBuLi and subsequent reaction with MgI2 afforded a unusual dinuclear magnesium complex (2) with a Mg2O2 ring. Extension of the ligand for calcium resulted in a trinuclear calcium complex (3) with six four-membered Ca2O2 rings. We could not isolate any chelating complex when L2 was used as a ligand, and only oxygen bound magnesium (4) and calcium (5) adducts were isolated. DFT studies were performed to understand this dissimilar behavior. More diverse results were obtained when lithiated L1 and L2 were treated with germanium dichloride. We were able to stabilize a monomeric germylene monochloride (7) with L1. However, with L2, an unusual ligand scrambling, and a C-C coupling take place, leading to the formation of a secondary carbocation with GeCl3- as a counter-anion (8). Besides, a germanium dichloride adduct (9) bound to the oxygen center of the ligand was obtained as the minor product.
}, keywords = {calcium, Germylene, ligand, Magnesium, X-ray Structure}, issn = {1861-4728}, doi = {10.1002/asia.201901801, Early Access Date = FEB 2020}, author = {Kumar, Rohit and Yadav, Sandeep and Gour, Kritika and Sangtani, Ekta and Ranjan Dash, Soumya and Raja, Abhishekram and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47004, title = {TDR Targets 6: driving drug discovery for human pathogens through intensive chemogenomic data integration}, journal = {Nucleic Acids Research}, volume = {48}, year = {2020}, month = {JAN }, pages = {D992-D1005}, type = {Article}, abstract = {
The volume of biological, chemical and functional data deposited in the public domain is growing rapidly, thanks to next generation sequencing and highly-automated screening technologies. These datasets represent invaluable resources for drug discovery, particularly for less studied neglected disease pathogens. To leverage these datasets, smart and intensive data integration is required to guide computational inferences across diverse organisms. The TDR Targets chemogenomics resource integrates genomic data from human pathogens and model organisms along with information on bioactive compounds and their annotated activities. This report highlights the latest updates on the available data and functionality in TDR Targets 6. Based on chemogenomic network models providing links between inhibitors and targets, the database now incorporates network-driven target prioritizations, and novel visualizations of network subgraphs displaying chemical- and target-similarity neighborhoods along with associated target-compound bioactivity links. Available data can be browsed and queried through a new user interface, that allow users to perform prioritizations of protein targets and chemical inhibitors. As such, TDR Targets now facilitates the investigation of drug repurposing against pathogen targets, which can potentially help in identifying candidate targets for bioactive compounds with previously unknown targets. TDR Targets is available at https://tdrtargets.org.
}, issn = {0305-1048}, doi = {10.1093/nar/gkz999}, author = {Landaburu, Lionel Uran and Berenstein, Ariel J. and Videla, Santiago and Maru, Parag and Shanmugam, Dhanasekaran and Chernomoretz, Ariel and Aguero, Fernan} } @article {46644, title = {Teixobactin: a paving stone toward a new class of antibiotics?}, journal = {Journal of Medicinal Chemistry}, volume = {63}, year = {2020}, month = {NOV }, pages = {12171-12195}, type = {Article}, abstract = {
Antimicrobial resistance is a serious threat to human health worldwide, prompting research efforts on a massive scale in search of novel antibiotics to fill an urgent need for a remedy. Teixobactin, a macrocyclic depsipeptide natural product, isolated from uncultured bacteria (Elef theria terrae), displayed potent activity against several Gram-positive pathogenic bacteria. The distinct pharmacological profile and interesting structural features of teixobactin with nonstandard amino acid (three Damino acids and L-allo-enduracididine) residues attracted several research groups to work on this target molecule in search of novel antibiotics with new mechanism. Herein, we present a comprehensive and critical perspective on immense possibilities offered by teixobactin in the domain of drug discovery. Efforts made by various research groups since its isolation are discussed, highlighting the molecule{\textquoteright}s considerable potential with special emphasis on replacement of amino acids. Critical analysis of synthetic efforts, SAR studies, and the way forward are provided hereunder.
}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.0c00173}, author = {Gunjal, Vidya B. and Thakare, Ritesh and Chopra, Sidharth and Reddy, D. Srinivasa} } @article {46980, title = {Temperature assisted reorganization of silver nanoparticles in free-standing, flexible chitosan functionalized reduced graphene oxide thick films: A potential SERS probe for folic acid sensing}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {252}, year = {2020}, month = {FEB}, pages = {114454}, type = {Article}, abstract = {
Chitosan and silver functionalized free standing reduced graphene oxide (rGO) films were prepared using simple soak and dry strategy. Redistribution of silver aggregates on chitosan functionalized rGO films were observed by thermally annealing these films at 450 degrees C, in an inert atmosphere. The re-organization / redistribution of silver aggregates in the rGO films were studied using in-situ Raman scattering signals. The redistribution of silver particles occurs through melting of micron sized silver aggregates during annealing. The rearrangement of the micro-sized silver aggregates to spherical silver nanoparticle on chitosan functionalized rGO film, as a result of temperature was assisted through factors such as graphene surface ripple rearrangement and the denaturation of rGO surface interacting chitosan chains. These free-standing films with redistributed silver nanoparticles showed excellent surface enhanced Raman scattering (SERS) effect with enhanced Raman signals for folic acid sensing, showcasing its potentiality to be utilized as flexible SERS based sensors.
}, keywords = {Free-standing, graphene oxide, sensing, SERS, silver nanoparticles, Thick-films}, issn = {0921-5107}, doi = {10.1016/j.mseb.2019.114454}, author = {Asha, S. and Ananth, A. Nimrodh and Jose, Sujin P. and Rajan, Michael Anjello Jothi} } @article {46770, title = {Template assisted synthesis of Ni,N co-doped porous carbon from Ni incorporated ZIF-8 frameworks for electrocatalytic oxygen reduction reaction}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {JUL }, pages = {12343-12354}, type = {Article}, abstract = {
A heteroatom doped porous carbon electrocatalyst with enhanced oxygen reduction reaction (ORR) performance in alkaline medium was obtained by high temperature treatment of Ni incorporated ZIF-8 frameworks and its composite with g-C(3)N(4)as a supporting matrix template. The morphology and porosity of this heteroatom containing carbon were tuned by varying the Ni : Zn molar ratio in Ni/Zn ZIF-8 and Ni/Zn ZIF-8@g-C(3)N(4)composites. The template aided synthetic strategy using g-C(3)N(4)helped in the controlled decomposition of composites leading to a heteroporous sheet like architecture with increased nitrogen content. The Ni/Zn ZIF-8 sample on heat treatment in the 800-1000 degrees C temperature range led to the formation of Ni,N co-doped porous carbon (Ni-NPC) with Ni-C active sites. The defective sites induced by nickel carbide along with the distributed N atoms on the carbon surface enabled active O(2)adsorption sites. The high surface area, high degree of graphitisation as well as the defects created by well dispersed N and Ni on porous carbon matrices favoured charge separation leading to higher electrochemical ORR activity. The Ni,N co-doped carbon catalyst in alkaline medium exhibited a limiting current density of 5.2 mA cm(-2)with a half-wave potential of 0.76 Vvs.RHE in 0.1 M KOH. The catalyst also showed improved methanol tolerance and better stability compared to the standard Pt/C catalyst.
}, issn = {1144-0546}, doi = {10.1039/d0nj01373k}, author = {Priya K., Vaishna and Thomas, Minju and Illathvalappil, Rajith and K., Shijina and Kurungot, Sreekumar and Nair, Balagopal N. and Mohamed, A. Peer and Anilkumar, Gopinathan M. and Yamaguchi, Takeo and Hareesh, U. S.} } @article {46741, title = {Terminal uridylyl transferase mediated site-directed access to clickable chromatin employing CRISPR-dCas9}, journal = {Journal of the American Chemical Society}, volume = {142}, year = {2020}, month = {AUG}, pages = {13954-13965}, type = {Article}, abstract = {
Locus-specific interrogation of target genes employing functional probes such as proteins and small molecules is paramount in decoding the molecular basis of gene function and designing tools to modulate its downstream effects. In this context, CRISPR-based gene editing and targeting technologies have proved tremendously useful, as they can be programmed to target any gene of interest by simply changing the sequence of the single guide RNA (sgRNA). Although these technologies are widely utilized in recruiting genetically encoded functional proteins, display of small molecules using CRISPR system is not well developed due to the lack of adequate techniques. Here, we have devised an innovative technology called sgRNA-Click (sgR-CLK) that harnesses the power of bioorthogonal click chemistry for remodeling guide RNA to display synthetic molecules on target genes. sgR-CLK employs a novel posttranscriptional chemoenzymatic labeling platform wherein a terminal uridylyl transferase (TUTase) was repurposed to generate clickable sgRNA of choice by site-specific tailoring of multiple azide-modified nucleotide analogues at the 3{\textquoteright} end. The presence of a minimally invasive azide handle assured that the sgRNAs are indeed functional. Notably, an azide-tailed sgRNA targeting the telomeric repeat served as a Trojan horse on the CRISPR-dCas9 system to guide synthetic tags (biotin) site-specifically on chromatin employing copper-catalyzed or strain-promoted click reactions. Taken together, sgR-CLK presents a significant advancement on the utility of bioorthogonal chemistry, TUTase, and the CRISPR toolbox, which could offer a simplified solution for site-directed display of small molecule probes and diagnostic tools on target genes.
}, issn = {0002-7863}, doi = {10.1021/jacs.0c06541}, author = {George, Jerrin Thomas and Azhar, Mohd and Aich, Meghali and Sinha, Dipanjali and Ambi, Uddhav B. and Maiti, Souvik and Chakraborty, Debojyoti and Srivatsan, Seergazhi G.} } @article {47022, title = {Theoretical study on cyclophane amide molecular receptors and its complexation behavior with TCNQ}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {203}, year = {2020}, month = {JAN}, pages = {111735}, type = {Article}, abstract = {
Complexation behavior of cyclophane amide molecular receptors towards 7,7,8,8-tetracyanoquinodimethane (TCNQ) studied. TD-B3LYP/6-31 + G(d,p) based density functional theory was employed to investigate the photophysical characteristics of the complexes obtained. Syn isomers of cyclophane amide molecular hosts show preferred conformation over other conformations. Molecular Orbital analysis indicates the electronic structure change, which reflects in the absorption spectra of the cyclophane amide-1@TCNQ, and cyclophane amide-2@TCNQ charge-transfer (CT) complexes. Binding energy studies with B3LYP-D3/6-31 + G (d,p) theory demonstrated that the more effective binding of the pyridine-2,6-dicarboxamide macrocycles than for their isophthalamide analogs. Both the CT complexes show intermolecular bifurcated hydrogen bonding (N-H-(host)center dot center dot center dot N-(guest)center dot center dot center dot H-N-(host)) interactions (2.06 to 2.08 angstrom), and pi((host))center dot center dot center dot pi((guest)) interactions (3.2 to 3.4 angstrom). Calculated BSSE corrected complexation energy (Delta E) be associated with the formation of the inclusion complexes in the range - 28 to similar to 37 kJ mol(-1), indicating spontaneity of host-guest complex formation in both the cases. From the calculated vibrational spectra of these complexes, the formation of inclusion complexes via N - H-(host)center dot center dot center dot N-(guest) and pi((host))center dot center dot center dot pi((guest)) intermolecular interactions established by the frequency shift in the N - H vibrations. Mulliken population analysis performed to recognize the CT process and the variation in charges between the free and complex TCNQ molecules suggests the intermolecular charge transfer. This study indicates that these cyclophane amides can be a decent CT complexation host for the guests like TCNQ.
}, keywords = {Absorption, Charge transfer complex, Cyclophane amides, Electrostatic potential surface, Host-guest, Molecular orbitals, Time-dependent density functional theory}, issn = {1011-1344}, doi = {10.1016/j.jphotobiol.2019.111735}, author = {Sundaram, Soma Sundaram Meenakshi and Karthick, Selvam and Sailaja, Krishnamurty and Karkuzhali, Rajendran and Gopu, Gopalakrishnan} } @article {46858, title = {Thermodynamic analysis and experimental validation of multi-composition ammonia liquor absorption engine cycle for power generation}, journal = {International Journal of Energy Research}, volume = {44}, year = {2020}, month = {DEC}, pages = {12430-12443}, type = {Article}, abstract = {
Energy conservation, utilization, and effective integration are of utmost importance for future sustenance. Accordingly, this work focuses on the generation of power from the low-grade temperature below 150 degrees C. A proposed novel multi-composition ammonia liquor absorption engine (MALAE) power cycle can be used toward the above purpose by supplying renewable energy obtained from low concentration type solar collectors. Proposed MALAE power cycle minimizes heal loss due to heat recovery and uses high purity NH3 vapors to expand through the isentropic turbine. MALAE power system is modeled and simulated using NH3-H2O as a working fluid for a reboiler temperature of 115 degrees C. The purpose of this work is to simulate the proposed MALAE power cycle with the distillation column and two solution heat exchanger (SHE). MALAE modeling and simulation is accomplished in SCILAB software. The simulation outcome is validated with the pilot-scale 5 kW experimental setup and validation showed +/- 5\% deviation. A comparison of MALAE cycle with published cycles signifies higher efficiency of MALAE cycle toward the utilization of low-grade energy from a temperature range of 100 degrees C to 150 degrees C. Finally, detailed parametric analysis of MALAE cycle efficiency is presented in terms of number of plates, distillation pressure and vapor flowrate, absorber temperature, pressure partial condenser temperature, and heat loads.
}, keywords = {absorption power cycle, ammonia water, low-temperature heat source, solar energy, Thermal Efficiency}, issn = {0363-907X}, doi = {10.1002/er.5463, Early Access Date = MAY 2020}, author = {Satpute, Satchidanand R. and Takalkar, Gorakshnath and Mali, Nilesh and Bhagwat, Sunil} } @article {46793, title = {TIAs pathway genes and associated miRNA identification in Vinca minor: supporting aspidosperma and eburnamine alkaloids linkage via transcriptomic analysis}, journal = {Physiology and Molecular Biology of Plants}, volume = {26}, year = {2020}, month = {AUG}, pages = {1695-1711}, type = {Article}, abstract = {
V. minorcontains monomeric eburnamine-type of indole alkaloids having utilization as a neuro-medicinal plant. The biosynthetic pathway studies using miRNAs has been the focal point for plant genomic research in recent years and this technique is utilized to get an insight into a possible pathway level study inV. minoras understanding of genes in this prized medicinal plant is meagrely understood. The de novo transcriptomic analysis using Illumina Next gen sequencing has been performed in glasshouse shifted plant and transformed roots to elucidate the possible non confirmed steps of terpenoid indole alkaloids (TIAs) pathway inV. minor. A putative TIA pathway is elucidated in the study including twelve possible TIAs biosynthetic genes. The specific miRNA associated with TIAs pathway were identified and their roles were discussed for the first time inV. minor. The comparative analysis of transcriptomic data of glasshouse shifted plant and transformed roots showed that the raw reads of transformed roots were higher (83,740,316) compared to glasshouse shifted plant (67,733,538). The EST-SSR prediction showed the maximum common repeats among glasshouse shifted plant and transformed roots, although small variation was found in trinucleotide repeats restricted to glasshouse shifted plant. The study reveals overall 37 miRNAs which were observed to be true and can have a role in pathway as they can regulate the growth and alkaloid production. The identification of putative pathway genes plays an important role in establishing linkage between Aspidosperma and Eburnamine alkaloids.
}, keywords = {de novo transcriptomic analysis, EST-SSR, miRNA, Terpenoid indole alkaloids, Vinca minor}, issn = {0971-5894}, doi = {10.1007/s12298-020-00842-x, Early Access Date = JUL 2020}, author = {Verma, Priyanka and Singh, Noopur and Khan, Shamshad Ahmad and Mathur, Ajay Kumar and Sharma, Ashok and Jamal, Farrukh} } @article {47336, title = {Time: a web application for obtaining insights into microbial ecology using longitudinal microbiome data (vol 9, 36, 2018)}, journal = {Frontiers in Microbiology}, volume = {11}, year = {2020}, month = {NOV}, pages = {605295}, type = {Correction}, keywords = {clustering, community state, Granger causality algorithm, Microbiome, time series, visualization, Web server}, issn = {1664-302X}, doi = {10.3389/fmicb.2020.605295}, author = {Baksi, Krishanu D. and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {46950, title = {TiO2 nanoparticles decorated on BiOCl flakes with enhanced visible light photocatalytic activity}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {FEB }, pages = {2618-2626}, type = {Article}, abstract = {
Facile preparation route for BiOCl and BiOCl/TiO2 nanocomposites with TiO2 nanoparticles decorated on BiOCl flakes via solution combustion method is reported in the present paper. Structural, textural and optical properties of the prepared materials are extensively studied using various physicochemical characterization tools such as X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), UV-vis spectroscopy (DRS), N-2 adsorption-desorption study (BET), photoluminescence spectroscopy (PL), etc. BiOCl/TiO2 nanocomposites show a red shift in the light absorption as compared to that of bare BiOCl which leads to the extended absorption in visible light region. Further photocatalytic experiments for Rhodamine B and phenol degradation demonstrate that the BiOCl/TiO2 nanocomposites have superior photocatalytic properties than bare BiOCl. Improved photocatalytic performance of BiOCl/TiO2 composites is attributed to the synergistic effect between BiOCl flakes and TiO2 nanoparticles, extended visible light absorption and delayed charge recombination.
}, keywords = {BiOCl, Hydoxyl radical evaluation, p-n heterojunction, phenol degradation, Photocatalysis, TiO2 nanocomposites}, issn = {2365-6549}, doi = {10.1002/slct.201904656}, author = {Shinde, Deepali S. and Bhange, Pallavi D. and Jha, Ratnesh K. and Bhange, Deu S.} } @article {46737, title = {TiO2-based water-tolerant acid catalysis for biomass-based fuels and chemicals}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {AUG}, pages = {9555-9584}, type = {Review}, abstract = {
Solid acid catalysts alone or in combination with redox metals play a pivotal role in biomass valorization to obtain alternative fuels and chemicals. In acid-catalyzed biomass conversions, water is a key reagent/byproduct that can induce leaching/poisoning of catalyst{\textquoteright}s acid species, a major problem toward catalyst recyclability and product purification. Thus, developing efficient water-tolerant solid acid catalysts is vital for viable biomass valorization. TiO2 is considered to be a promising water-tolerant solid acid catalyst for biomass conversions because of the presence of coordinatively unsaturated Ti4+ sites, which are robust and less prone to leaching in the aqueous medium. Besides, the synergistic combination of TiO2 with redox metals (Ru, Pd, Ni, Cu, etc.) provides abundant bifunctional acid-redox sites, which exhibit a favorable catalytic role in the deoxygenation of biomass molecules to practically useful hydrocarbons. Therefore, this review provides an overview of recent progress toward TiO2-based water-tolerant acid catalysis for biomass conversion, with a focus on hydrothermal stability of TiO2, its acidity, and catalysts{\textquoteright} synthesis methods. Various biomass conversions over TiO2-based catalysts, where water-tolerant acid sites or acid-redox dual sites show a significant catalytic effect, were discussed. Structure-activity relationships based on water-tolerant Lewis acidity of TiO2 were emphasized. We believe that this review will provide valuable information for developing efficient water-tolerant solid acid catalysts not only for biomass valorization but also for other challenging reactions in the aqueous medium.
}, keywords = {Acid catalysis, acid-redox catalysis, Biomass conversion, renewable fuels and chemicals, TiO2-based catalysts, water-tolerant Lewis acidity}, issn = {2155-5435}, doi = {10.1021/acscatal.0c01680}, author = {Sudarsanam, Putla and Li, Hu and Sagar, Tatiparthi Vikram} } @article {47008, title = {Ti-superoxide catalyzed oxidative amidation of aldehydes with saccharin as nitrogen source: synthesis of primary amides}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN}, pages = {724-728}, type = {Article}, abstract = {
A new heterogeneous catalytic system (Ti-superoxide/saccharin/TBHP) has been developed that efficiently catalyzes oxidative amidation of aldehydes to produce various primary amides. The protocol employs saccharin as amine source and was found to tolerate a wide range of substrates with different functional groups. Moderate to excellent yields, catalyst reusability and operational simplicity are the main highlights. A possible mechanism and the role of the catalyst in oxidative amidation have also been discussed.
}, doi = {10.1039/c9ra10413e}, author = {Kamble, Rohit B. and Mane, Kishor D. and Rupanawar, Bapurao D. and Korekar, Pranjal and Sudalai, A. and Suryavanshi, Gurunath} } @article {46631, title = {Total synthesis and absolute configuration determination of Ktedonoketone, a benzenoid metabolite from Thermophilic bacterium}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {NOV }, pages = {152526}, type = {Article}, abstract = {
The successful total synthesis of both enantiomers of ktedonoketone allowed us to decipher an unambiguous assignment of absolute configuration of the natural product. The concise synthesis highlights Wacker oxidation and aldol condensation as key steps. In addition to this, the current synthetic route is suitable to access a library of compounds on the similar skeleton as one can use readily available amino acids and Grignard reagents as variants. (C) 2020 Elsevier Ltd. All rights reserved.
}, keywords = {Absolute configuration, Ktedonoketone, Total synthesis, Wacker oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2020.152526}, author = {Dandawate, Monica and Choudhury, Rahul and Krishna, Gamidi Rama and Reddy, D. Srinivasa} } @article {46795, title = {Total synthesis of (-)-2-methoxy-2-butenolide-3-cinnamate and its antimicrobial potentials}, journal = {Natural Product Research}, year = {2020}, month = {JUL}, type = {Article; Early Access 2020}, abstract = {
The first total synthesis of (-)-2-methoxy-2-butenolide-3-cinnamate (butenolide cinnamate) was achieved using commercially available starting material. The synthesized compound was found to have promising antibacterial activity against Gram-negative strainsEscherichia coli(ATCC 8739),Salmonella typhimurium(ATCC 23564) andPseudomonas aeruginosa(ATCC 19154) with a minimum inhibitory concentration of 2.0 mu g/mL, 1.0 mu g/mL and 2.0 mu g/mL, respectively. Notably, the compound was more potent against Gram-negative test strains than the Gram-positive test strains.
}, keywords = {antibacterial activity, butenolide cinnamate, Total synthesis}, issn = {1478-6419}, doi = {10.1080/14786419.2020.1789979, Early Access Date = JUL 2020}, author = {Said, Madhukar S. and Udavant, Rohini and Sahu, Amit Kumar and Khan, Abujunaid and Nayak, Rashmi and Dastager, Syed G. and Kumar, Pradeep and Gajbhiye, Jayant} } @article {46650, title = {Total synthesis of beshanzuenone D and its epimers and abiespiroside A}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {NOV }, pages = {8561-8565}, type = {Article}, abstract = {
A unified and protecting-group-free six-step total synthesis of bisabolane-type sesquiterpenoid beshanzuenone D and its stereoisomers and abiespiroside A using S-(+)-carvone as a common chiral-pool building block is disclosed. This synthetic route features chemoselective allylic chlorination of carvone, Au(I)-catalyzed cydoisomerization induced construction of furan from homopropargylic diol, substrate-controlled selective hydroxylation using Davis-oxaziridine, and dye-sensitized photo-oxidation (through O-1(2)) of hydroxyalkyl tethered furan to access oxaspirolactone as key transformations. A comprehensive set of NMR data along with DFT calculations, ECD spectra, and optical rotation measurements of the synthesized beshanzuenone D and its epimers were obtained to confirm absolute configurations.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c03157}, author = {Borade, Balasaheb R. and Dixit, Ruchi and Kontham, Ravindar} } @article {46687, title = {Total synthesis of (+)-petromyroxol, (-)-iso-petromyroxol, and possible diastereomers}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {OCT }, pages = {25334-25348}, type = {Article}, abstract = {
The total synthesis of (+)-petromyroxol (1) and its seven diastereomers including the ()-tso-petromyroxol (2) is described. The employed strategy involves the use of easily available CS-epimeric epoxides 5 and 5{\textquoteright} and nonselective anomeric C1-allylation, proceeding with or without inversion at C2 thereby giving the possibility of synthesizing all possible diastereomers. Extensive two-dimensional (2D) NMR analyses of all eight diastereomers have been carried out to assign the chemical shifts of the central carbons land the corresponding attached hydrogens and to learn how the C/H-chemical shifts of the tetrahydrofuran ring were influenced by the adjacent centers.
}, issn = {2470-1343}, doi = {10.1021/acsomega.0c03674}, author = {Mullapudi, Venkannababu and Ahmad, Iram and Senapati, Sibadatta and Ramana, V, Chepuri} } @article {46962, title = {Total synthesis of (+)-petromyroxol (vol 56, pg 3933, 2015)}, journal = {Tetrahedron Letters}, volume = {61}, year = {2020}, month = {FEB }, pages = {151420}, type = {Correction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.151420}, author = {Mullapudi, Venkannababu and Ramana, Chepuri V.} } @article {46957, title = {Towards in situ continuous feeding via controlled release of complete nutrients for fed-batch culture of animal cells}, journal = {Biochemical Engineering Journal}, volume = {154}, year = {2020}, month = {FEB }, pages = {107436}, type = {Article}, abstract = {
Small-scale culture of animal cells in suspension is of importance for many applications. At a small-scale, fed-batch is achieved either by manual bolus feeding or the use of liquid handling robots. In this study, we report an alternate application of a hydrogel for in situ continuous delivery of a nutrient feed comprising 18 amino acids, vitamins, antioxidants, and trace elements. We show that amino acid release is sustained for at least seven days. Importantly, release rates of individual amino acids can be independently modulated by changing their loading. We demonstrate the application of this hydrogel for complete in situ feeding of nutrients to a suspension adapted CHO cell line expressing IgG leading to 2.7-fold and 4-fold improvement in integral viable cell density (IVCD) and volumetric productivity respectively. This is similar to improvements obtained by bolus liquid feeding. Further, supplying glucose from the same hydrogel to eliminate manual feeding led to a 1.8-fold increase in IVCD accompanied by a 3-fold increase in volumetric productivity as compared to batch culture. In summary, this study provides a proof-of-concept that hydrogels can enable completely closed in situ feeding for mammalian cell culture requiring no external intervention. Such continuous in situ delivery can potentially enable closed culture systems maintaining nutrients at low levels mimicking physiological concentrations.
}, keywords = {Amino acids, CHO cells, Closed system, Fed-batch, Hydrogel for continuous feeding, In situ nutrient release}, issn = {1369-703X}, doi = {10.1016/j.bej.2019.107436}, author = {Rawat, Jyoti and Gadgil, Mugdha} } @article {46692, title = {Towards lignin-derived chemicals using atom-efficient catalytic routes}, journal = {Trends in Chemistry}, volume = {2}, year = {2020}, month = {OCT}, pages = {898-913}, type = {Review}, abstract = {
Lignin is a potential non-fossil resource of diverse functionalized phenolic units. The most important lignin- derived monomers are 4-alkylphenols, 4- hydroxybenzaldehydes, 4-hydroxybenzoic acids, and 4-hydroxycinnamic acids/esters. Efficient transformation of lignin and/or its monomers into valuable aromatics and their derivatives is crucial, not only for a sustainable lignocellulose biorefinery, but also to reduce our dependence on fossil feedstocks. This review provides a concise account of the recent advances in lignocellulose fractionation/lignin depolymerization processes towards lignin-derived monomers. Subsequently, numerous potential atom-efficient catalytic routes for upgrading lignin monomers into drop-in chemicals and new polymer building blocks are discussed.
}, doi = {10.1016/j.trechm.2020.07.011}, author = {Sudarsanam, Putla and Ruijten, Dieter and Liao, Yuhe and Renders, Tom and Koelewijn, Steven-Friso and Sels, Bert F.} } @article {46860, title = {Transient alpha-helix in the N-terminal RNA recognition motif of polypyrimidine tract binding protein senses RNA secondary structure}, journal = {Nucleic Acids Research}, volume = {48}, year = {2020}, month = {MAY}, pages = {4521-4537}, type = {Article}, abstract = {
The polypyrimidine tract binding protein (PTB) is a multi-domain protein involved in alternative splicing, mRNA localization, stabilization, polyadenylation and translation initiation from internal ribosome entry sites (IRES). In this latter process, PTB promotes viral translation by interacting extensively with complex structured regions in the 5{\textquoteright}-untranslated regions of viral RNAs at pyrimidine-rich targets located in single strand and hairpin regions. To better understand how PTB recognizes structured elements in RNA targets, we solved the solution structure of the N-terminal RNA recognition motif (RRM) in complex with an RNA hairpin embedding the loop sequence UCUUU, which is frequently found in IRESs of the picornovirus family. Surprisingly, a new three-turn alpha 3 helix C-terminal to the RRM, folds upon binding the RNA hairpin. Although alpha 3 does not mediate any contacts to the RNA, it acts as a sensor of RNA secondary structure, suggesting a role for RRM1 in detecting pyrimidine tracts in the context of structured RNA. Moreover, the degree of helix formation depends on the RNA loop sequence. Finally, we show that the alpha 3 helix region, which is highly conserved in vertebrates, is crucial for PTB function in enhancing Encephalomyocarditis virus IRES activity.
}, issn = {0305-1048}, doi = {10.1093/nar/gkaa155}, author = {Maris, Christophe and Jayne, Sandrine and Damberger, Fred F. and Beusch, Irene and Dorn, Georg and Ravindranathan, Sapna and Allain, Frederic H-T} } @article {46759, title = {Transition metal nickel prevents Tau aggregation in Alzheimer{\textquoteright}s disease}, journal = {International Journal of Biological Macromolecules}, volume = {156}, year = {2020}, month = {AUG }, pages = {1359-1365}, type = {Article}, abstract = {
Alzheimer{\textquoteright}s disease is the leading cause of dementia, effecting majority of aged people worldwide. The multifaceted effectors of Alzheimer{\textquoteright}s disease primarily include Tau, amyloid-beta along with hyper activation of kinases, oxidative stress and mutations etc., makes it challenging to design therapeutics. Tau is a microtubule-associating protein, which is subjected to cellular stress resulting in the formation of neurofibrillary tangles, leading to loss of affinity for microtubules. This causes loss of microtubule stability and in turn alters axonal integrity. In the present work, emphasis towards understanding interaction of nickel with Tau was made. Metals such as iron, zinc, copper and lead etc., are known to modulate Tau conformation and enhance its aggregation. Our results showed the deliverance of Tau aggregation by nickel and its synthetic morpholine conjugate. Nickel prevents aggregation by inducing degradation of Tau as evidenced by SDS-PAGE and TEM. Nickel and the synthetic conjugate being non toxic to neuro2a cells and prevent Tau aggregation, might direct these complexes to overcome AD. (C) 2019 Published by Elsevier B.V.
}, keywords = {Aggregation, Alzheimer{\textquoteright}s disease, metals, Morpholine, Nickel chloride, Tau}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2019.11.176}, author = {Gorantla, Nalini Vijay and Das, Rashmi and Balaraman, Ekambaram and Chinnathambi, Subashchandrabose} } @article {46910, title = {Transmetallation vs adduct: diverse reactivity of N,O-ketiminato germylene with [Cp*MCl2](2) (M = Rh or Ir; Cp* = eta(5)-C5Me5) and MCl5 (M = Nb and Ta)}, journal = {Journal of Organometallic Chemistry}, volume = {911}, year = {2020}, month = {APR }, pages = {121142}, type = {Article}, abstract = {
The reactions of the germylenes, [(Dipp)NCMeCHCORGeCl] (1a: R = Me, 1b: R = Ph) with [Ir2Cl2(mu-Cl)(2)(eta(5)-Cp*)(2)] led to the formation of the adducts [(Dipp)NCMeCHCORGeClIrCl2Cp*] (3a: R = Me and 3b: R = Ph). On the other hand, [Rh2Cl2(mu-Cl)(2)(eta(5)-Cp*)(2)] does not react with the germylenes (1a and 1b). When the reactions of 1a and 1b are carried out with [Cp*TaCl4], the reaction led to decomposition. The reaction of 1a or 1b with TaCl5 yielded the transmetallated products [(Dipp)NCMeCHCORTaCl4] (4a: R = Me, 4b: R = Ph) with the extrusion of GeCl2. Our theoretical studies show that for, the insertion of TaCl5 to 1a and the formation of 4a with concomitant elimination of GeCl2 is energetically favourable. Extrusion of SnCl2 is also observed when the corresponding stannylene, [(Dipp)NCMeCHCOMeSnCl] was reacted with TaCl5. All these compounds have been characterized by H-1 and C-13 NMR spectroscopy, elemental analysis and the constitution of compounds 1b, 3b, and 4a were confirmed by single-crystal X-ray crystallography. (C) 2020 Elsevier B.V. All rights reserved.
}, keywords = {Adduct formation, Germylenes, Iridium, Ketoiminate, Tantalum, Transmetallation}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2020.121142}, author = {Raghavendra, Beesam and Bakthavachalam, K. and Das, Tamal and Roisnel, Thierry and Sen, Sakya S. and Vanka, Kumar and Ghosh, Sundargopal} } @article {46862, title = {Trending methods employed for polymerization induced self-assembly}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAY }, pages = {6690-6698}, type = {Review}, abstract = {
Mother Nature produces a perfectly defined architecture that inspires researchers to make polymeric macromolecules for an array of functions. Preparation of a pre-defined polymer architecture is a key challenge to a researcher. The present article describes the recent development in Polymerization Induced Self-Assembly (PISA) to synthesize polymeric nanoparticles with pre-defined morphology and precise control over size and shape. This methodology has become a potential strategy for the synthesis of various block copolymer nano-objects. The PISA strategy produces core-shell polymeric nanoparticles with a wide scope of morphologies including spheres, worms, rods, and vesicles. A few parameters including the degree of polymerization, core-forming monomers, macro-CTA and solid content of the final product are precisely employed for the PISA procedure to accomplish the ideal size and shape. PISA opens a new avenue for the production of polymeric nano-objects.
}, issn = {1144-0546}, doi = {10.1039/c9nj05638f}, author = {Mane, Shivshankar R.} } @article {46886, title = {Triazine-based organic polymer-catalysed conversion of epoxide to cyclic carbonate under ambient CO2 pressure}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {JUN }, pages = {1683-1687}, type = {Article}, abstract = {
In this work we have achieved epoxide to cyclic carbonate conversion using a metal-free polymeric catalyst under ambient CO2 pressure (1.02 atm) using a balloon setup. The triazine containing polymer (CYA-ANIS) was prepared from cyanuric chloride (CYA-Cl) and o-dianisidine (ANIS) in anhydrous DMF as solvent by refluxing under the N-2 gas environment. The presence of triazine and amine functional groups in the polymer results in the adsorption of CO2 up to 7 cc/g at 273 K. This inspired us to utilize the polymer for the conversion of a series of functionalised epoxides into their corresponding cyclic carbonates in the presence of tetrabutyl ammonium iodide (TBAI) as co-catalyst. The product has wide range of applications like solvent in lithium ion battery, precursor for polycarbonate, etc. The catalyst was efficient for the conversion of different mono and di-epoxides into their corresponding cyclic carbonates under atmospheric pressure in the presence of TBAI as co-catalyst. The study indicates that epoxide attached with electron withdrawing groups (like, CH2Cl, glycidyl ether, etc.) displayed better conversion compared to simple alkane chain attached epoxides. This is mainly due to the stabilization of electron rich intermediates produced during the reaction (e. g. epoxide ring opening or CO2 incorporation into the halo-alkoxide anion). This catalyst mixture was capable to maintain its reactivity up to five cycles without losing its activity. Post catalytic characterization clearly supports the heterogeneous and recyclable nature of the catalyst.
}, keywords = {CO2 fixation, cyclic carbonates, epoxides, Heterogeneouscatalyst, metal free catalyst, Triazinepolymer}, issn = {1861-4728}, doi = {10.1002/asia.201901277, Early Access Date = APR 2020}, author = {Biswas, Tanmoy and Halder, Arjun and Paliwal, Khusboo S. and Mitra, Antarip and Tudu, Gouri and Banerjee, Rahul and Mahalingam, Venkataramanan} } @article {46811, title = {Triethyl phosphite/benzoyl peroxide mediated reductive dealkylation of O-benzoylhydroxylamines: a cascade synthesis of secondary amides}, journal = {European Journal of Organic Chemistry}, volume = {2020}, year = {2020}, month = {JUL}, pages = {4235-4238}, type = {Article}, abstract = {
A new triethyl phosphite/benzoyl peroxide (BPO) mediated system has been developed for the synthesis of secondary amides with good to excellent yields in a single step. This unprecedented cascade process involves sequential reduction of N-O bond and benzoylation followed by dealkylation of N-C bond ofO-benzoylhydroxylamines (O-BHA). The methodology is versatile as it tolerates a variety of aromatic and aliphaticO-BHA as substrates to access secondary amides.
}, keywords = {Amides, Cascade reactions, O-Benzoylhydroxylamines, Redox reactions, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.202000611, Early Access Date = JUN 2020}, author = {Aegurla, Balakrishna and Mandle, Ram D. and Shinde, Prasad G. and Parit, Ratan S. and Kamble, Sanjay P. and Sudalai, Arumugam and Senthilkumar, Beeran} } @article {46982, title = {Tris-heteroleptic ruthenium(II) polypyridyl complexes: Synthesis, structural characterization, photophysical, electrochemistry and biological properties}, journal = {Journal of Inorganic Biochemistry}, volume = {203}, year = {2020}, month = {FEB}, pages = {110903}, type = {Article}, abstract = {
{Three water-soluble tris-heteroleptic ruthenium(II) polypyridyl complexes [Ru(bpy)(phen)(bpg)](2+) (1), [Ru (bpy)(dppz)(bpg)]2+ (2), and [Ru(phen)(dppz)(bpg)]2+ (3) (where bpy = 2,2{\textquoteright}-bipyridine
}, keywords = {Circular dichroism, Cytotoxicity, fluorescence, Polypyridyl, ruthenium}, issn = {0162-0134}, doi = {10.1016/j.jinorgbio.2019.110903}, author = {Bhat, Satish S. and Kumbhar, Avinash S. and Purandare, Neeraja and Khan, Ayesha and Grampp, Gunter and Loennecke, Peter and Hey-Hawkins, Evamarie and Dixit, Ruchi and Vanka, Kumar} } @article {46708, title = {Triton X-114 fractionated subcellular proteome ofleptospira interrogansshows selective enrichment of pathogenic and outer membrane proteins in the detergent fraction}, journal = {Proteomics}, volume = {20}, year = {2020}, month = {OCT}, pages = {2000170}, type = {Article}, abstract = {
The Triton X-114-based solubilization and temperature-dependent phase separation of proteins is used for subcellular fractionation where, aqueous, detergent, and pellet fractions represents cytoplasmic, outer membrane (OM), and inner membrane proteins, respectively. Mass spectrometry-based proteomic analysis of Triton X-114 fractions of proteomic analysis ofLeptospira interrogansidentified 2957 unique proteins distributed across the fractions. The results are compared with bioinformatics predictions on their subcellular localization and pathogenic nature. Analysis of the distribution of proteins across the Triton X-114 fractions with the predicted characteristics is performed based on {\textquoteleft}{\textquoteleft}number{\textquoteright}{\textquoteright} of unique type of proteins, and {\textquoteleft}{\textquoteleft}quantity{\textquoteright}{\textquoteright} which represents the amount of unique protein. The highest number of predicted outer membrane proteins (OMPs) and pathogenic proteins are found in aqueous and pellet fractions, whereas detergent fraction representing the OM has the highest quantity of OMPs and pathogenic proteins though lower in number than the aqueous and pellet fractions. This leaves the possibility of an upsurge in pathogenic proteins and OMPs on the OM under pathogenic conditions suggesting their potential use to combat leptospirosis. Further, the Triton X-114 subcellular fractions are more correlated to enrichment of pathogenic proteins predicted by MP3 software than predicted localization.
}, keywords = {intensity-based absolute quantification, Leptospira, outer membrane protein, subcellular localization, Triton X-114}, issn = {1615-9853}, doi = {10.1002/pmic.202000170, Early Access Date = SEP 2020}, author = {Thoduvayil, Sikha and Dhandapani, Gunasekaran and Brahma, Rahul and Devasahayam Arokia Balaya, Rex and Mangalaparthi, Kiran K. and Patel, Krishna and Kumar, Manish and Tennyson, Jebasingh and Satheeshkumar, P. K. and Kulkarni, Mahesh J. and Pinto, Sneha M. and Prasad, T. S. Keshava and Madanan, Madathiparambil G.} } @article {46944, title = {Tunable light emission from chemical vapor deposited two-dimensional MoSe2 by layer variation and S incorporation}, journal = {Journal of Vacuum Science \& Technology A}, volume = {38}, year = {2020}, month = {MAR}, pages = {023402}, type = {Article}, abstract = {
Mono- and few-layer thick MoSe2 and MoSxSe2-x domains were grown on insulating SiO2/Si substrates by chemical vapor deposition. Scanning electron microscopy and optical contrast images were used to determine the domain size and morphology. The structure, crystallinity, and the thickness (number of layers) of the as-synthesized domains were determined from Raman spectroscopy. The light emission was determined from photoluminescence (PL) spectroscopy. The PL emission started appearing only in domains having four layers or less, with the intensity increasing as the number of layers decreased. The PL peak position varied between 1.48eV (similar to 838nm) for four layers to 1.55eV (similar to 800nm) in the monolayer limit. Sulfur incorporation was done to enable a further tunability of the bandgap. The monolayer bandgap changed from 1.55eV for MoSe2 to 1.64eV (similar to 756nm) for MoS0.32Se0.68. The other effect of S incorporation was the formation of larger area domains in the alloy as compared to binary MoSe2 with an improvement in the structural properties, thus providing a pathway to improve the properties of two-dimensional semiconductors by mixing of two materials with similar atomic arrangements.
}, issn = {0734-2101}, doi = {10.1116/1.5124998}, author = {Singh, Vineeta and Late, Dattatray J. and Rath, Shyama} } @article {46984, title = {Tuning phosphorescence features of triphenylamines by varying functional groups and intermolecular interactions}, journal = {Dyes and Pigments}, volume = {173}, year = {2020}, month = {FEB}, pages = {107931}, type = {Article}, abstract = {
Organic room temperature phosphorescent materials are known for their synthetic feasibility, tunable phosphorescence wavelength and lifetime, etc. Hence new design strategies have been applied on various fluorophores to improve phosphorescence features. Among those, triphenylamines are phosphorescence active due to the presence of nitrogen atom, propeller molecular structure, and intermolecular interactions in the crystal state. Here we have studied the room temperature phosphorescence of a series of triphenylamines with various functional groups. Detailed studies have shown that the phosphorescence can be fine-tuned by functional group modification. A long phosphorescence lifetime around 100 ms at room temperature in air can be achieved by the interplay of intermolecular interactions, singlet-triplet energy gap and extent of intersystem crossing using functional group variation. Interestingly, an exciplex assisted ultralong phosphorescence lifetime (more than 20 times) is observed for a combination of triphenylamine and naphthalenemonoimide in air.
}, keywords = {Exciplex, fluorescence, Phosphorescence, triphenylamine}, issn = {0143-7208}, doi = {10.1016/j.dyepig.2019.107931}, author = {Goudappagouda and Asokan, Kiran and Nayak, Rashmi and Krishnan, Retheesh and Babu, Sukumaran Santhosh} } @article {46771, title = {Tweaking palladium electronic structure to attain oxygen reduction activity superior to platinum/C}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {JUL}, pages = {6127-6132}, type = {Article}, abstract = {
Enhancing oxygen reduction (ORR) activity through alloying is crucial to improve the performance of a fuel-cell catalysts. In this work, we have studied the alloying effects of 4f rare-earth (RE) metals with palladium. The modified catalyst exhibits better activity (E-onset = 1 V and E-1/2 = 0.88 V) and higher selectivity toward H2O (similar to 97\%) compared to the state-of-the-art catalysts due to complete dissociation of O-2. Hirshfeld charge analysis and 2D-electron localization function reveal improved adsorbate-adsorbent interaction on the catalyst surface. This work paves a strategy to design highly selective non-Pt-based catalysts for the ORR by controlling electronic structures and surface oxide formation.
}, keywords = {d-band center, DFT calculation, durability, EuPd, oxygen reduction reaction, YbPd}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01241}, author = {Sarma, Saurav Ch. and Kaja, Sai Manoj and Mishra, Vidyanshu and Vinod, Chathakudath Prabhakaran and Peter, Sebastian C.} } @article {46696, title = {Ultrahigh molecular weight polyethylene: catalysis, structure, properties, processing and applications}, journal = {Progress in Polymer Science}, volume = {109}, year = {2020}, month = {OCT}, pages = {101290}, type = {Review}, abstract = {
Ultrahigh molecular weight polyethylene (UHMWPE) belongs to an emerging class of high-performance specialty polymers with a unique set of properties and applications. The field has witnessed many scientific and technological advances in recent years. However, synthesis of UHMWPE is not a trivial exercise and presents several challenges. This review addresses these fundamental challenges and provides an overview of recent developments in the field of UHMWPE. The nature of catalysts, reaction conditions that favor its formation, their physical properties, methods of processing them into products, and their applications are discussed. Recent developments in formation of UHMWPE in a disentangled state by use of appropriate catalysts and reaction conditions are also discussed. This has elicited considerable interest as a means of enabling melt processing of UHMWPE. This review provides a comprehensive source of information and understanding of the multifaceted aspects of UHMWPE with specific reference to chemistry, catalysis, processes for manufacturing, and an analysis of catalyst structure-polymer property relationships. (C) 2020 Elsevier B.V. All rights reserved.
}, keywords = {Catalysts for UHMWPE, Disentangled UHMWPE, Entangled UHMWPE, polyethylene (PE), Ultrahigh molecular weight (UHMW) PE}, issn = {0079-6700}, doi = {10.1016/j.progpolymsci.2020.101290}, author = {Patel, Ketan and Chikkali, Samir H. and Sivaram, Swaminathan} } @article {46648, title = {Ultrahigh sensitive carbon-based conducting rubbers for flexible and wearable human-machine intelligence sensing}, journal = {Advanced Materials Technologies}, volume = {5}, year = {2020}, month = {DEC}, pages = {2000690}, type = {Article}, abstract = {
The wearable strain sensors with multifunctional applications can fuel the rapid development of human-machine intelligence for various sectors like healthcare, soft robotics, and Internet of Things applications. However, achieving the low-cost and mass production of wearable sensors with ultra-high performance remains challenging. Herein, a simple, cost-effective, and scalable methodology to fabricate the flexible and highly sensitive strain sensors using carbon black and latex rubbers (LR) is presented. The LR-based strain sensor demonstrates excellent flexibility, fast response (approximate to 600 ms), ultra-high sensitivity (maximum gauge factor of 1.2 x 10(4) at 250\% strain), and long-term stability over 1000 cycles. The LR-based strain sensors are sensitive to monitor subtle human motions such as heart pulse rate and voice recognition along with high-strain human joint operations. Additionally, the sensing mechanism of LR bands is investigated by surface topographies and electromechanical response under various strained/unstrained conditions. Further, a smart glove-based sensor module made of LR strain bands with an Arduino reader for the human-machine intelligence device for non-verbal communication in military applications is demonstrated.
}, keywords = {conducting rubbers, gauge factor, human\&\#8211, machine interfacing, voice recognition, wearable strain sensors}, issn = {2365-709X}, doi = {10.1002/admt.202000690, Early Access Date = NOV 2020}, author = {Ajeev, Arya and Javaregowda, Bharathkumar H. and Ali, Ashik and Modak, Mrudul and Patil, Shreya and Khatua, Saumyakanta and Ramadoss, Marimuthu and Kothavade, Premkumar Anil and Arulraj, Arul Kashmir} } @article {46791, title = {Uncovering the origin of enhanced field emission properties of rGO-MnO(2)heterostructures: a synergistic experimental and computational investigation}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JUL }, pages = {25988-25998}, type = {Article}, abstract = {
The unique structural merits of heterostructured nanomaterials including the electronic interaction, interfacial bonding and synergistic effects make them attractive for fabricating highly efficient optoelectronic devices. Herein, we report the synthesis of MnO(2)nanorods and a rGO/MnO(2)nano-heterostructure using low-cost hydrothermal and modified Hummers{\textquoteright} methods, respectively. Detailed characterization and confirmation of the structural and morphological properties are doneviaX-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM) and Transmission Electron Microscopy (TEM). Compared to the isolated MnO(2)nanorods, the rGO/MnO(2)nano-heterostructure exhibits impressive field emission (FE) performance in terms of the low turn-on field of 1.4 V mu m(-1)for an emission current density of 10 mu A cm(-2)and a high current density of 600 mu A cm(-2)at a relatively very low applied electric field of 3.1 V mu m(-1). The isolated MnO(2)nanorods display a high turn-on field of 7.1 for an emission current density of 10 mu A cm(-2)and a low current density of 221 mu A cm(-2)at an applied field of 8.1 V mu m(-1). Besides the superior FE characteristics of the rGO/MnO(2)nano-heterostructure, the emission current remains quite stable over the continuous 2 h period of measurement. The improvement of the FE characteristics of the rGO/MnO(2)nano-heterostructure can be ascribed to the nanometric features and the lower work function (6.01 and 6.12 eV for the rGO with 8\% and 16\% oxygen content) compared to the isolated alpha-MnO2(100) surface (phi= 7.22 eV) as predicted from complementary first-principles electronic structure calculations based on density functional theory (DFT) methods. These results suggest that an appropriate coupling of rGO with MnO(2)nanorods would have a synergistic effect of lowering the electronic work function, resulting in a beneficial tuning of the FE characteristics.
}, doi = {10.1039/d0ra03360j}, author = {Rondiya, Sachin R. and Karbhal, Indrapal and Jadhav, Chandradip D. and Nasane, Mamta P. and Davies, Thomas E. and Shelke, V. Manjusha and Jadkar, Sandesh R. and Chavan, Padmakar G. and Dzade, Nelson Y.} } @article {46920, title = {Understanding alloy structure and composition in sinter-resistant AgPd@SiO2 encapsulated catalysts and their effect on catalytic properties (vol 41, pg 14652, 2017)}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAR }, pages = {4664}, type = {Correction}, issn = {1144-0546}, doi = {10.1039/d0nj90031a}, author = {Mondal, Sourik and Rajesh, Thattarathody and Dhar, Basab B. and Snellman, Markus and Li, Junjie and Deepak, Francis Leonard and Devi, R. Nandini} } @article {46756, title = {Understanding fundamentals of hepatocellular carcinoma to design next-generation chitosan nano-formulations: Beyond chemotherapy stride}, journal = {Journal of Drug Delivery Science and Technology}, volume = {58}, year = {2020}, month = {AUG}, pages = {101723}, type = {Article}, abstract = {
Hepatocellular carcinoma (HCC) is the deadliest form of liver cancer. Clinically, the main strategies currently being used for the treatment of HCC are surgery, radiotherapy and chemotherapy. Conventional chemotherapy has major drawbacks such as poor bioavailability, high-dose requirements, adverse side effects, low therapeutic indices, and non-specific drug targeting. Therefore, targeted drug delivery systems are fast becoming new tools for the selective killing of cancer cells. Chitosan (CS) is a biodegradable, biocompatible, cationic and natural biopolymer that also exhibits anti-cancer property which is now being explored as a promising candidate for targeted drug delivery. This review outlines an overview of the causative agents, microenvironment, pathophysiology, surface-biomarkers and physiological barriers of HCC. Then, the cellular internalization pathways of nanomedicine and the important physicochemical properties of delivery agents are discussed. The benefits of targeted therapy over conventional therapy with regard to HCC are also discussed. The main objective of this review was to summarize the current knowledge in the field of chitosan-based drug delivery for the management of HCC along with its limitations in a comprehensive and systematic way. This review attempts to provide a holistic roadmap for designing the next-generation chitosan-based drug delivery systems for HCC management.
}, keywords = {chitosan nanoparticles, Hepatocellular carcinoma, Pathophysiology, Surface biomarkers, Targeted Drug Delivery, Tumor microenvironment}, issn = {1773-2247}, doi = {10.1016/j.jddst.2020.101723}, author = {Jaiswal, Neha and Chaudhari, Ravindra D. and Chaudhari, Bhushan P.} } @article {46306, title = {Understanding the influence of alumina supported ruthenium catalysts synthesis and reaction parameters on the hydrodeoxygenation of lignin derived monomers}, journal = {Molecular Catalysis}, volume = {480}, year = {2020}, month = {JAN}, pages = {UNSP 110525}, type = {Article}, abstract = {
Up-gradation of lignin derived monomers to value-added and fuel grade products is important to make overall bio-refinery process economical. Although, few studies are devoted on this work yet, systematic study on commercially viable (low loading of metal, recyclable catalyst, mild conditions, high selectivities etc.) is scarce and typically done under harsh conditions. Herein, we report, the methodical effect of support (SiO2, Al2O3 (acidic, basic and neutral), SiO2-Al2O3) on the hydrodeoxygenation (HDO) of lignin derived various monomers, guaiacol, veretrol, eugenol, phenol using very low loading (0.5 wt\%) Ru catalyst. Very high yield (82\%) of cyclohexanol from guaiacol could be achieved in presence of cyclohexane as a solvent and Ru/Al2O3-Acidic catalyst at 225 degrees C and under 1 MPa H-2 pressure. The detailed study on the effect of solvent, stability and adsorption of reactant \& products etc. is done and it was observed that products are more prone to adsorb and undergo further reactions. The complete characterization of fresh and spent catalysts revealed that lower catalyst reduction temperature and presence of Ru in partially higher oxidation state proved by XPS, helps in enhancing the cyclohexanol formation. Subsequently, role of Ru particle size and support on the activity was also investigated.
}, keywords = {Cyclohexanol, Hydrodeoxygenation, lignin, reaction pathway, supported metal catalyst}, issn = {2468-8231}, doi = {10.1016/j.mcat.2019.110525}, author = {Singh, Dheerendra and Dhepe, Paresh L.} } @article {46848, title = {Understanding the ML black box with simple descriptors to predict cluster-adsorbate interaction energy}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAY }, pages = {8545-8553}, type = {Article}, abstract = {
Density functional theory (DFT) is currently one of the most accurate and yet practical theories used to gain insight into the properties of materials. Although successful, the computational cost required is still the main hurdle even today. In recent years, there has been a trend of combining DFT with Machine Learning (ML) to reduce the computational cost without compromising accuracy. Finding the right set of descriptors that are simple to understand in terms of giving insights about the problem at hand, lies at the heart of any ML problem. In this work, we demonstrate the use of nearest neighbor (NN) distances as descriptors to predict the interaction energy between the cluster and an adsorbate. The model is trained over a size range of 5 to 75 atom clusters. When the training and testing is carried out on mutually exclusive cluster sizes, the mean absolute error (MAE) in predicting the interaction energy is similar to 0.24 eV. MAE reduces to 0.1 eV when testing and training sets include information from the complete range. Furthermore, when the same set of descriptors are tested over individual sizes, the MAE further reduces to similar to 0.05 eV. We bring out the correlation between dispersion in the nearest neighbor distances and variation in MAE for individual sizes. Our detailed and extensive DFT calculations provide a rationale as to why nearest neighbor distances work so well. Finally, we also demonstrate the transferability of the ML model by applying the same recipe of descriptors to systems of different elements like (Na-10), bimetallic systems (Al6Ga6, Li4Sn6, and Au40Cu40) and also different adsorbates (N-2, O-2, and CO).
}, issn = {1144-0546}, doi = {10.1039/d0nj00633e}, author = {Agarwal, Sheena and Mehta, Shweta and Joshi, Kavita} } @article {46677, title = {Understanding the role of solvent properties on reaction kinetics for synthesis of silica nanoparticles}, journal = {Chemical Engineering Journal}, volume = {398}, year = {2020}, month = {OCT}, pages = {125427}, type = {Article}, abstract = {
The effect of various alcoholic solvents and their compositions on the size of silica particles synthesized through hydrolysis and condensation of tetraethyl orthosilicate (TEOS) is studied. The alcohols used are: Methanol, ethanol, propanol, i-propanol, butanol, pentanol, hexanol, octanol, decanol and do-decanol. Ethanol was used as a co-solvent with the higher molecular weight alcohols. Silica particles of size between 100 nm and 2 mu m were obtained by changing solvent composition. Concentrations of total soluble silica and silicic acid were measured and used for exploring the kinetics of hydrolysis and condensation reactions. Polarity, steric hindrance and viscosity of solvent were found to have a strong influence on the rate constants and size of silica nanoparticles. An attempt is made to correlate both final particle size and rate constants with dielectric constant, Wiener index and viscosity of the solvent.
}, keywords = {condensation, Hydrolysis, kinetics, silica particles, Solvents, Stober process}, issn = {1385-8947}, doi = {10.1016/j.cej.2020.125427}, author = {Bari, Atul H. and Jundale, Rajashri B. and Kulkarni, Amol. A.} } @article {46601, title = {Understanding unfolding and refolding of the antibody fragment (Fab). I. In-vitro study}, journal = {Biochemical Engineering Journal}, volume = {164}, year = {2020}, month = {DEC}, pages = {107764}, type = {Article}, abstract = {
In-vitro protein refolding is a major rate-limiting step in the large scale production of antibody fragments expressed using a microbial source like E. coli. This investigation is focused on understanding the in-vitro unfolding and refolding of the multi-domain protein involving inter-domain disulfide linkage, like antibody fragment (Fab). Solubilization behavior of the inclusion bodies and unfolding events of Fab fragment (Biosimilar rHu Ranibizumab) were studied using nano-differential scanning fluorimetry (nano-DSF). Fab unfolding behavior was studied by fitting experimental data with the two-state and three-state thermodynamic model. Based on the Fab unfolding understanding, a two-stage design of experiment (DoE) strategy was used for the optimization of the in-vitro refolding condition of a Fab fragment. Refolding yield of 56.03 +/- 1.15 \% was achieved using the optimized oxidative refolding conditions maintained by appropriate dilution factor and redox reagent ratio. Refolding kinetics of the rHu Ranibizumab was analyzed using a three-parameter kinetic model showing rate constant k(1) :7.05e(-6) l/mg.min, k(2) :0.57 l/mg.min, and k(3) :310.19 l/mg.min. Based on observed refolding kinetics, it was concluded that the Fab refolding follows a three-state mechanism with the refolding intermediate/(s) formation from light and heavy chain of the Fab fragment as an overall rate-limiting step. The method described here is a useful tool to identify high-yield scalable refolding conditions for multi-domain proteins involving inter-domain disulfide bonds.
}, keywords = {Antibody fragment, In-vitro refolding, Refolding kinetics, rHu Ranibizumab, Two-state and Three-state models}, issn = {1369-703X}, doi = {10.1016/j.bej.2020.107764}, author = {Gani, Kayanat and Bhambure, Rahul and Deulgaonkar, Prashant and Mehta, Deepa and Kamble, Manoj} } @article {46885, title = {Unique N doped Sn3O4 nanosheets as an efficient and stable photocatalyst for hydrogen generation under sunlight}, journal = {Nanoscale}, volume = {12}, year = {2020}, month = {APR}, pages = {8502-8510}, type = {Article}, abstract = {
Unique N doped Sn3O4 nanosheets have been demonstrated successfully using a facile hydrothermal method. Investigations of the triclinic phase and the impurities were performed using powder X-ray diffraction analysis (XRD) and Raman spectroscopy. The morphological analysis demonstrated a rectangular intra- and inter-connected nanosheet-like structure. The length of the nanosheets was observed to be in the range of 200-300 nm and the thickness of the nanosheets was less than 10 nm. The optical study reveals an extended absorption edge into the visible region, owing to the incorporation of nitrogen into the lattice of Sn3O4, which was further confirmed using X-ray photoelectron spectroscopy (XPS). Considering the band structure in the visible region, the photocatalytic activities of pristine and N doped Sn3O4 nanosheets for hydrogen evolution from water under natural sunlight were investigated. 4\% N-Sn3O4 showed a higher photocatalytic activity (654.33 mu mol(-1) h(-1) 0.1 g(-1)) for hydrogen production that was eight times that of pristine Sn3O4. The enhanced photocatalytic activity is attributed to the inhibition of charge carrier separation owing to the N doping, morphology and crystallinity of the N-Sn3O4 nanostructures. A stable efficiency was observed for three cycles, which clearly shows the stability of N-Sn3O4.
}, issn = {2040-3364}, doi = {10.1039/c9nr10439a}, author = {Balgude, Sagar and Sethi, Yogesh and Gaikwad, Aarti and Kale, Bharat and Amalnerkar, Dinesh and Adhyapak, Parag} } @article {47011, title = {Unprecedented isomerism-activity relation in molecular electrocatalysis}, journal = {Journal of Physical Chemistry Letters}, volume = {11}, year = {2020}, month = {JAN }, pages = {263-271}, type = {Article}, abstract = {
The role of electrocatalysts in energy storage/conversion, biomedical and environmental sectors, green chemistry, and much more has generated enormous interest in comprehending their structure-activity relations. While targeting the surface-to-volume ratio, exposing reactive crystal planes and interfacial modifications are time-tested considerations for activating metallic catalysts; it is primarily by substitution in molecular electrocatalysts. This account draws the distinction between a substituent{\textquoteright}s chemical identity and isomerism, when regioisomerism of the -NO2 substituent is conferred at the {\textquoteleft}{\textquoteleft}alpha{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}beta{\textquoteright}{\textquoteright} positions on the macrocycle of cobalt phthalocyanines. Spectroscopic analysis and theoretical calculations establish that the beta isomer accumulates catalytically active intermediates via a cumulative influence of inductive and resonance effects. However, the field effect in the alpha isomer restricts this activation due to a vanishing resonance effect. The demonstration of the distinct role of isomerism in substituted molecular electrocatalysts for reactions ranging from energy conversion to biosensing highlights that isomerism of the substituents makes an independent contribution to electrocatalysis over its chemical identity.
}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b02689}, author = {Kottaichamy, Alagar Raja and Begum, Shabbah and Nazrulla, Mohammed Azeezulla and Dargily, Neethu Christudas and Devendrachari, Mruthyunjayachari Chattanahalli and Bhat, Zahid Manzoor and Thimmappa, Ravikumar and Kotresh, Harish Makri Nimbegondi and Vinod, Chathakudath Prabhakaran and Thotiyl, Musthafa Ottakam} } @article {46691, title = {Unraveling the hidden role of the counteranion in {\textquoteleft}{\textquoteleft}cation in a cage{\textquoteright}{\textquoteright} systems}, journal = {Journal of Physical Chemistry A}, volume = {124}, year = {2020}, month = {OCT }, pages = {8040-8049}, type = {Article}, abstract = {
The current work showcases general principles at play in systems consisting of cations present inside molecular cages. Such systems, relevant to chemistry and biology, have been carefully investigated by computational methods. The important Ge(II)-encapsulating cage systems have been studied first. The very fact that such compounds exist appears highly unlikely, given the highly reactive nature of the Ge(II) dication. Our studies reveal what really occurs in solution when such complexes are formed: the Ge(II) dications are actually present as [Ge-X](+) (where X is the {\textquoteleft}{\textquoteleft}non-coordinating{\textquoteright}{\textquoteright} counterion employed in such systems) during entry and subsequent existence at the center of the cage. Hence, what is actually present is a {\textquoteleft}{\textquoteleft}pseudomonocation{\textquoteright}{\textquoteright}. Interestingly, such pseudomonocation-encapsulated cages are seen to be equally relevant in systems of biological importance, such as for dicationic s block-based ionophores. In explaining such cases, the concept of {\textquoteleft}{\textquoteleft}isoionicity{\textquoteright}{\textquoteright} is introduced, demonstrating that the counterion-coordinated dications are isoionic with a monocation, such as Li(I), isolated in the same ionophore.
}, issn = {1089-5639}, doi = {10.1021/acs.jpca.0c06995}, author = {Mukherjee, Anagh and Ghule, Siddharth and Tiwari, Mrityunjay K. and Vanka, Kumar} } @article {46667, title = {Unraveling the role of excess ligand in nanoparticle pattern formation from an evaporatively dewetting nanofluid droplet}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {OCT}, pages = {23446-23453}, type = {Article}, abstract = {
Nanoparticle (NP) patterning on a solid surface via nanofluid droplet evaporation is one of the most fascinating topics of research. Quite intriguingly, though a dose of excess ligand has been invariably included in all of the experimental studies that resulted in large-area NP patterns, the role of this excess ligand has been addressed inadequately in the modeling studies carried out so far. Addressing this, we have conducted systematic studies by including excess ligand both in our experiments and modeling, and correlated the results with each other. For this, we prepared nearly monodispersed thiol-protected gold nanoparticle dispersion in toluene and added calculated amounts of excess thiol before drop-casting it onto a transmission electron microscopy (TEM) grid. Subsequently, upon solvent evaporation, the patterns formed were imaged using conventional electron microscopy and analyzed with customized image processing tools, to perform statistically significant measurements. Our study demonstrates the ability of soluble excess ligand to induce NP aggregation under nonequilibrium condition, leading to large-area monolayer formation. These experimental results were then rationalized by Monte Carlo simulations, based on a modified coarse-grained two-dimensional (2D) lattice-gas model. We found that excess ligand facilitates NP spinodal phase separation under nonequilibrium conditions, largely governed by the interplay between ligand-solvent and nanoparticle-ligand interactions. Using power spectrum density analysis, we clearly demonstrate that these spatial patterns have fractal surface characteristics due to persistent fractional Brownian motion within subdiffusion limit.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c07259}, author = {Bhattacharjee, Kaustav and Biswas, Korak and Bhagavatula L. V. Prasad} } @article {46892, title = {Unravelling the distinct surface interactions of modified graphene nanostructures with methylene blue dye through experimental and computational approaches}, journal = {Journal of Hazardous Materials}, volume = {388}, year = {2020}, month = {APR}, pages = {121755}, type = {Article}, abstract = {
Nanoscopic modifications leading to multi-dimensional graphene structures are known to significantly influence their candidature for several applications including catalysis, energy storage, molecular sensing and most significantly adsorption and remediation of harmful materials such as dyes. The present work attempts to identify the key trajectories that connect the structural qualification with a chosen application, viz., the interactive forces in dye remediation. Various physico-chemically Modified Graphene Nanostructures (MGNs) such as 2 dimensional Graphite, Graphene Oxide (GO), reduced GO (rGO), holey rGO, and 3 dimensional GO hydrogel and Holey GO hydrogel are chosen and synthesised herein. These represent varieties of physicochemical features with respect to their dimensionality, surface features such as oxygen functionality, nanoscopic holes etc., that contribute to their characteristic overall surface interactions. Methylene Blue (MB), a popular industrial effluent posing major environmental concern is chosen to be a probe adsorbate in this case study. An exclusive real time in-situ UV visible spectral experiment provides the revealing reasons behind the outstanding performance of 2D GO sheets with an adsorption capacity of greater than 92 \% even at high MB concentrations (\>2000 ppm). A complex dependency of various factors such as surface oxygen, morphology, nanoporosity etc. on the unique overall interaction with an adsorbent such as MB by all these adsorbates is demonstrated using experimental and DFT based computational studies. Electrostatics and hydrogen bonding are understood to be the two dominant forces driving the MB adsorption on the best performing GO here.
}, keywords = {Density functional theory, In-situ UV-vis spectroscopy, Interactions, Methylene blue, Modified Graphene Nanostructures}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2019.121755}, author = {Manappadan, Zinoy and Kumar, Shubham and Joshi, Krati and Govindaraja, Thillai and Krishnamurty, Sailaja and Selvaraj, Kaliaperumal} } @article {46731, title = {Unsymmetrical squaraine dyes for dye-sensitized solar cells: position of the anchoring group controls the orientation and self-assembly of sensitizers on the TiO2 surface and modulates its flat band potential}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {AUG}, pages = {18436-18451}, type = {Article}, abstract = {
The position of the anchoring group is systematically changed with a series of alkyl group wrapped donor-acceptor-donor (D-A-D) based squaraine dyes, 4-SQ to 7-SQ, for the use in dye-sensitized solar cells (DSSCs). By this approach, the orientation as well as the self-assembly of the sensitizers can be controlled on the semiconducting TiO2 surface. All of the dyes functionalized with hydrophobic alkyl groups at sp(3)-C and N atoms of the indoline units that is far away from the TiO2 surface to control the self-assembly of dyes and passivate the surface. Controlling both the orientation as well as the self-assembly of the sensitizers synergistically enhances the V-oc of the DSSC device by imparting the dipole moment on the TiO2 surface and minimizing the interfacial charge recombination process of electrons from TiO2 to the oxidized electrolyte, respectively. Further, the presence of a meta-carboxyl group with respect to the N atom of the indoline donor unit for the dyes 4-SQ and 6-SQ makes them nonconductive for the charge injection process, which sheds light on the importance of through-space electron transfer for the device performance. Emission from the relaxed twisted state was found to be a deactivation pathway for 4-SQ on TiO2 and ZrO2, which revealed the importance of structural factors that promote spatial interaction between the sensitizer and metal oxide surface. Computational studies showed the systematic changes in the dipole moment for the sensitizers 4-SQ, 5-SQ, and 6-SQ upon anchoring to the TiO2 surface. The DSSC device performance varied with the position of anchoring groups in the sensitizers. The DSSC device performance of 5-SQ indicates a J(sc) value of 11.35 mA cm(-2), V-oc of 0.698 V, and ff of 77\% corresponding to a power conversion efficiency of 6.08\% in the presence of 3 equiv of coadsorbent CDCA, which is nearly 1.5 times higher than 6-SQ (V-oc 0.7 V, J(sc) 7.76 mA cm(-2), ff 76\%, and eta 4.14\%) and 2.6 times higher than 4-SQ (V-oc 0.658 V, J(sc) 4.42 mA cm(-2), ff 78\%, and eta 2.28\%). IPCE studies revealed the importance of orientation for the charge injection and self-assembly of dyes, as devices with 5-SQ and 6-SQ as a sensitizer showed 94 and 77\% response at 578 nm, respectively, which correspond to the aggregated structure of the dye. Mott-Schottky and IPCE experiments showed that the orientation of sensitizers could modulate the V-oc due to the shift in the flat band potential of TiO2.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c05176}, author = {Singh, Ambarish Kumar and Maibam, Ashakiran and Javaregowda, Bharathkumar H. and Bisht, Rajesh and Kudlu, Ashwath and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {47023, title = {Untargeted metabolomics reveals alterations in metabolites of lipid metabolism and immune pathways in the serum of rats after long-term oral administration of Amalaki rasayana}, journal = {Molecular and Cellular Biochemistry}, volume = {463}, year = {2020}, month = {JAN}, pages = {147-160}, type = {Article}, abstract = {
Amalaki rasayana, a traditional preparation, is widely used by Ayurvedic physicians for the treatment of inflammatory conditions, cardiovascular diseases, and cancer. Metabolic alterations induced by Amalaki rasayana intervention are unknown. We investigated the modulations in serum metabolomic profiles in Wistar rats following long-term oral administration of Amalaki rasayana. Global metabolic profiling was performed of the serum of rats administered with either Amalaki rasayana (AR) or ghee + honey (GH) for 18 months and control animals which were left untreated. Amalaki rasayana components were confirmed from AR extract using HR-LCMS analysis. Significant reductions in prostaglandin J2, 11-dehydrothromboxane B2, and higher levels of reduced glutathione and glycitein metabolites were observed in the serum of AR administered rats compared to the control groups. Eleven different metabolites classified as phospholipids, glycerophospholipids, glucoside derivatives, organic acids, and glycosphingolipid were exclusively observed in the AR administered rats. Pathway analysis suggests that altered metabolites in AR administered rats are those associated with different biochemical pathways of arachidonic acid metabolism, fatty acid metabolism, leukotriene metabolism, G-protein mediated events, phospholipid metabolism, and the immune system. Targeted metabolomics confirmed the presence of gallic acid, ellagic acid, and arachidonic acid components in the AR extract. The known activities of these components can be correlated with the altered metabolic profile following long-term AR administration. AR also activates IGF1R-Akt-Foxo3 signaling axis in heart tissues of rats administered with AR. Our study identifies AR components that induce alterations in lipid metabolism and immune pathways in animals which consume AR for an extended period.
}, keywords = {Amalaki rasayana, Ayurvedic medicines, Leukotriene metabolism, Lipid metabolism, Metabolic profiling}, issn = {0300-8177}, doi = {10.1007/s11010-019-03637-1}, author = {Kumar, Vikas and Kumar, A. Aneesh and Joseph, Vinod and Dan, Vipin Mohan and Jaleel, Abdul and Kumar, T. R. Santhosh and Kartha, Chandrasekharan C.} } @article {45504, title = {Valorization of cow urine and dung: A model biorefinery (2018)}, journal = {Waste and Biomass Valorization}, volume = {11}, year = {2020}, month = {MAR}, pages = {1-14}, type = {Article}, abstract = {
Cow is one of the most common livestock of Indian farmers. Small farm households are strongly dependent on livestock for income as it contributes nearly 16\% of their total earnings. As much as two-thirds of rural community depends on livestock for their livelihood. Farmers in India maintain a hybrid farming system, that is, a combination of crop cultivation and livestock, which are complementary to each other. Traditionally, the output of one enterprise is the input of another enterprise. Recent research suggests that in addition to milk, urine and dung obtained from cow are valuable resources of bioactive compounds, which can be converted into value-added products. In this review, we provide an outline for the physicochemical composition and valorization of cow urine and dung. They are utilized in agriculture as a pesticide, manure, and acts as a soil rejuvenator. Cow dung is used for bio energy production by fermentation and gasification. Medicinal and cosmetic products are prepared following ayurvedic formulations described in {\textquoteleft}Panchagavya{\textquoteright}. Cow dung ash is used as adsorbent, construction material, mosquito repellent and electrolyte. A case study of manufacturing unit producing arrays of products from cow urine and dung is also presented.
}, keywords = {Bio gas, Cow dung, Cow urine, Waste utilization}, doi = {10.1007/s12649-018-0406-7}, author = {Mandavgane, S. A. and Kulkarni, B. D.} } @article {46978, title = {Variations in activity of Ru/TiO(2 )and Ru/Al2O3 catalysts for CO2 hydrogenation: an investigation by in-situ infrared spectroscopy studies}, journal = {Molecular Catalysis}, volume = {482}, year = {2020}, month = {FEB}, pages = {110700}, type = {Article}, abstract = {
CO2 hydrogenation to methane, an important reaction strategically and also for value adding to CO2, is investigated on two different catalysts, Ru supported on alumina as well as titania to understand better low temperature activity of Ru/TiO2 catalyst. In-situ infrared studies are carried out in three different steps, viz., (i) CO2 adsorption on fully reduced catalyst (ii) reaction of these adsorbed species with gaseous H-2 and (iii) under co-feed of CO2 and H-2, at different temperatures. On Ru/Al2O3 catalyst, CO2 reacts with hydroxyls on the support surface to form carbonate and adsorbs reductively on metal as CO. Further reduction to formate and methyl species occurs on reaction with H. Small concentration of the reactive intermediate formyl forms only at high temperatures. Whereas, bare TiO2 itself seems capable of reductive adsorption of CO2 as formate indicating enhanced reducibility of titania based catalyst. Formyl groups are observed at low temperatures in Ru/TiO2 in step (ii), which further forms methyl and gaseous methane at much lower temperatures when compared to alumina catalyst. Highly reactive CO species loosely bound to metal-support interface observed at high temperatures, which is not present on Ru/Al2O3 catalyst also makes this catalyst superior. In comparison, linearly bound CO seen in alumina catalyst is not as reactive.
}, keywords = {CO2 hydrogenation, In-situ infra red spectroscopy, Ru/Al2O3, Ru/TiO2}, issn = {2468-8231}, doi = {10.1016/j.mcat.2019.110700}, author = {Dongapure, Pavan and Bagchi, Sayan and Mayadevi, S. and Devi, R. Nandini} } @article {46718, title = {Vinylogous michael addition of 3-alkylidene-2-oxindoles to beta,gamma-unsaturated alpha-keto esters by bifunctional cinchona alkaloids}, journal = {European Journal of Organic Chemistry}, volume = {2020}, year = {2020}, month = {SEP }, pages = {5690-5694}, type = {Article}, abstract = {
A highly enantioselective vinylogous Michael addition of 3-alkylidene-2-oxindoles with beta,gamma-unsaturated alpha-keto esters using a bifunctional tertiary-amine thiourea catalyst is demontsrated. The challenging Michael reaction with the beta,gamma-unsaturated alpha-keto esters has been accomplished due to the synchronized H-bond guided dual activation of vinylogous nucleophile and electrophile by catalyst. The reaction afforded product in high yield while resulting in excellent stereocontrol (\> 19:1E/Zand upto 99 \%ee).
}, keywords = {3-Alkylidene-2-oxindoles, Asymmetric synthesis, beta, gamma-Unsaturated alpha-keto esters, Michael adduct, Vinylogous Michael addition}, issn = {1434-193X}, doi = {10.1002/ejoc.202000835, Early Access Date = SEP 2020}, author = {Jaiswal, Manish K. and Kumar, Rajesh and Singh, Sanjay and Jain, Shailija and Vanka, Kumar and Singh, Ravi P.} } @article {46674, title = {Visual exploration of microbiome data (vol 44, 119, 2019)}, journal = {Journal of Biosciences}, volume = {45}, year = {2020}, month = {OCT}, pages = {134}, type = {Correction}, abstract = {
In the October 2019 Special Issue of theJournal of Bioscienceson Current Trends in Microbiome Research, in the Review article titled {\textquoteleft}{\textquoteright}Visual exploration of microbiome data{\textquoteright}{\textquoteright} by Bhusan K. Kuntal and Sharmila S. Mande (DOI: 10.1007/s12038-019-9933-z; Vol. 44, Article No. 119), affiliation 3 for Bhusan K. Kuntal was incorrectly mentioned as {\textquoteleft}{\textquoteright}Academy of Scientific and Innovative Research, CSIR-National Chemical Laboratory Campus, Pune 411008, India{\textquoteright}{\textquoteright}. The correct affiliation should read as {\textquoteleft}{\textquoteright}Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201 002, India{\textquoteright}{\textquoteright}.
}, issn = {0250-5991}, doi = {10.1007/s12038-020-00103-9}, author = {Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {46670, title = {Wavelength dependent luminescence decay kinetics in {\textquoteleft}quantum-confined{\textquoteright} g-C(3)N(4)nanosheets exhibiting high photocatalytic efficiency upon plasmonic coupling}, journal = {Journal of Materials Chemistry A}, volume = {8}, year = {2020}, month = {OCT }, pages = {20581-20592}, type = {Article}, abstract = {
Serendipitous observations offer newer insights into materials properties. Here we describe g-C(3)N(4)nanosheets exhibiting remarkably blue-shifted photoluminescence within the 390-580 nm range centred at 425 nm which matches more closely with its {\textquoteleft}quantum-dots{\textquoteright}, and yet is excitation-wavelength independent. Moreover, surprisingly, the luminescence decay becomes increasingly slow at higher emission wavelengths, by up to 10 times. The nanosheets absorb only a fraction of visible-light. To improve this, when we designed a nanocomposite of g-C(3)N(4)and Au nanoparticles (NPs), it retained the PL characteristics and also exhibited excellent light-harvesting and photocatalytic efficiency for benzylamine (BA) oxidation. The surface plasmon resonance of the Au NPs is responsible for the high visible-light response and assisting the reaction by the {\textquoteleft}hot-electron{\textquoteright} injection mechanism, while an uncharacteristic, pronounced co-catalytic effect by them further improves the efficiency. The conversion is 98\% with \>99\% selectivity over 1.5 h of natural sunlight and open-air, probably the highest efficiency for BA photo-oxidation reactions. Even though such a dual role by plasmonic NPs has remained unscrutinized, we argue that the charge-transfer processes for the {\textquoteleft}hot-carrier{\textquoteright} injection and co-catalytic events are well-separated in time due to a much slower photon incident frequency on a catalyst particle, enabling both to occur simultaneously in the same particle.
}, issn = {2050-7488}, doi = {10.1039/d0ta08001b}, author = {Mondal, Sanjit and Sahoo, Lipipuspa and Vaishnav, Yuvraj and Mishra, Samita and Roy, Raj Sekhar and Vinod, C. P. and De, Arijit K. and Gautam, Ujjal K.} } @article {46878, title = {Whole-cell phenotypic screening of medicines for malaria venture pathogen box identifies specific inhibitors of plasmodium falciparum late-stage development and egress}, journal = {Antimicrobial Agents and Chemotherapy}, volume = {64}, year = {2020}, month = {MAY}, pages = {e01802-19}, type = {Article}, abstract = {
We report a systematic, cellular phenotype-based antimalarial screening of the Medicines for Malaria Venture Pathogen Box collection, which facilitated the identification of specific blockers of late-stage intraerythrocytic development of Plasmodium falciparum. First, from standard growth inhibition assays, we identified 173 molecules with antimalarial activity (50\% effective concentration [EC50] \<= 10 mu M), which included 62 additional molecules over previously known antimalarial candidates from the Pathogen Box. We identified 90 molecules with EC50 of \<= 1 mu M, which had significant effect on the ring-trophozoite transition, while 9 molecules inhibited the trophozoite-schizont transition and 21 molecules inhibited the schizontring transition (with \>= 50\% parasites failing to proceed to the next stage) at 1 mu M. We therefore rescreened all 173 molecules and validated hits in microscopy to prioritize 12 hits as selective blockers of the schizont-ring transition. Seven of these molecules inhibited the calcium ionophore-induced egress of Toxoplasma gondii, a related apicomplexan parasite, suggesting that the inhibitors may be acting via a conserved mechanism which could be further exploited for target identification studies. We demonstrate that two molecules, MMV020670 and MMV026356, identified as schizont inhibitors in our screens, induce the fragmentation of DNA in merozoites, thereby impairing their ability to egress and invade. Further mechanistic studies would facilitate the therapeutic exploitation of these molecules as broadly active inhibitors targeting late-stage development and egress of apicomplexan parasites relevant to human health.
}, keywords = {DNA fragmentation, egress, Medicines for Malaria Venture, MMV, Pathogen Box, phenotypic screening, Plasmodium falciparum, schizonts, stage-specific inhibition}, issn = {0066-4804}, doi = {10.1128/AAC.01802-19}, author = {Patra, Alok Tanala and Hingamire, Tejashri and Belekar, Meenakshi A. and Xiong, Aoli and Subramanian, Gowtham and Bozdech, Zbynek and Preiser, Peter and Shanmugam, Dhanasekaran and Chandramohanadas, Rajesh} } @article {46743, title = {Wide thermal range, exclusive occurrence of technically significant chiral nematic phase: synthesis and mesomorphism of cholesterol-based non-symmetric dimers}, journal = {Bulletin of Materials Science}, volume = {43}, year = {2020}, month = {AUG }, pages = {188}, type = {Article}, abstract = {
Fifteen new non-symmetric chiral dimers belonging to three different series have been synthesized and evaluated for their mesomorphic properties. They are formed by interlinking cholesterol with salicylaldimine (SAN) cores (with reverse imine groups) via an omega-oxyalkanoyloxy spacer. Within a series, the length of the terminaln-alkoxy tails has been varied for a fixed even-parity spacer. Three even-parity spacers such as 4-oxybutanoyloxy, 6-oxyhexanoyloxy and 8-oxyoctanoyloxy have been used to join two cores, whereas the terminal tails such asn-butyloxy,n-hexyloxy,n-octyloxy,n-decyloxy andn-dodecyloxy chains have been attached to the SAN core. Microscopic and calorimetric experimental results show that all the dimers behave identically exhibiting the chiral nematic (N*) phase solely, which was authenticated by powder X-ray diffraction studies carried out on some selected samples. In the vast majority of the cases, this phase is thermodynamically stable, and while cooling, it exists over a wide thermal range covering room temperature (RT) due to supercooling. This finding is notable given the fact that the N* phase possesses technologically significant optical properties. At RT, the N* phase displayed one of the iridescent colours characteristically caused by interference and diffraction of the reflected and scattered light. A comparative study reveals that the lengths of both the terminal chain and central spacer influence the clearing temperature of the dimers, and also the temperature range of the N* phase. The selective reflection measurements revealed that the pitch of the N* phase is either temperature sensitive or temperature insensitive. Temperature-dependent circular dichroism (CD) spectra were recorded for the planar texture of the N* phase formed by a dimer, as a representative case. The presence of an intense negative CD band suggests the left-handed screw sense of the N* phase helix.
}, keywords = {CD activity, cholesteric phase, dimers, liquid crystals, selective reflection}, issn = {0250-4707}, doi = {10.1007/s12034-020-02120-8}, author = {Nayak, Rashmi Ashwathama and Bhat, Sachin A. and Rao, D. S. Shankar and Yelamaggad, V. C.} } @article {46970, title = {WO3 nanorods bearing interconnected Pt nanoparticle units as an activity-modulated and corrosion-resistant carbon-free system for polymer electrolyte membrane fuel cells}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {FEB}, pages = {1908-1921}, type = {Article}, abstract = {
Commercial platinum-supported carbon (Pt/C) catalyst is the most widely used oxygen reduction reaction (ORR) electrocatalyst in polymer electrolyte membrane fuel cells (PEMFCs). However, carbon oxidation in Pt/C during the operation of PEMFCs poses serious issues, particularly in meeting long-term durability of the cells. Although carbon-free Pt-based catalysts are considered to be the best alternatives, the single-cell performances reported for many such systems are found to be inferior to that of the carbon-based systems. As a practical way to realize a carbon-free electrocatalyst, we have developed a system by dispersing an interconnected Pt nanoparticle network on the nanorods of tungsten oxide (WO3). Uniform dispersion of the WO3 nanorods by fine and more or less interconnected Pt nanoparticles (20 wt \%) is a key feature of the electrocatalyst. This has helped the system to achieve an intrinsic ORR characteristics which is very similar to that of Pt/C, as reflected from the comparative analysis of the onset potential, half-wave potential, limiting current density, and the number of electrons transferred in the ORR process. Pt/WO3 also shows better stability under start-stop accelerated potential cycling after 10 000 cycles, compared to Pt/C. The relative decrement in the electrochemically active surface area (ECSA) for Pt/WO3 nanorods was negligible, compared to the similar to 26\% decrement registered by Pt/C under the identical testing conditions. Finally, a system-level validation in a single-cell model of PEMFC by fabricating a membrane electrode assembly (MEA) with Pt/WO3 as both the anode and cathode catalyst delivered comparable output power density as that of a similar system fabricated by using Pt/C. ECSA comparison in MEA shows the potential use of Pt/WO3-400 as the catalyst for the fuel cells, since it is exhibiting an ECSA value that is 3.4 greater than that of Pt/C at a Pt loading of 0.5 mg cm(-2).
}, keywords = {Carbon-free, electrocatalyst, fuel cell, oxygen reduction reaction, tungsten oxide}, issn = {2574-0962}, doi = {10.1021/acsaem.9b02333}, author = {Kumar, Sachin and Bhange, Siddheshwar N. and Soni, Roby and Kurungot, Sreekumar} } @article {47079, title = {[1,3]-Claisen rearrangement via removable functional group mediated radical stabilization}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {FEB }, pages = {890-895}, type = {Article}, abstract = {
A thermal O-to-C [1,3]-rearrangement of alpha-hydroxy acid derived enol ethers was achieved under mild conditions. The 2-aminothiophenol protection of carboxylic acids facilitates formation of the [1,3] precursor and its thermal rearrangement via stabilization of a radical intermediate. Experimental and theoretical evidence for dissociative radical pair formation, its captodative stability via aminothiophenol, and a unique solvent effect are presented. The aminothiophenol was deprotected from rearrangement products as well as after derivatization to useful synthons.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c04109}, author = {Alam, Md Nirshad and Dash, Soumya Ranjan and Mukherjee, Anirban and Pandole, Satish and Marelli, Udaya Kiran and Vanka, Kumar and Maity, Pradip} } @article {47786, title = {2D MoO2/N-Doped-carbon nanosheets as SERS tweezers: a non-noble metal reusable substrate for selective organic dye detection}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {NOV}, pages = {11611 - 11624}, type = {Article}, abstract = {The design and synthesis of a highly sensitive and exceptionally selective surface-enhanced Raman scattering (SERS) substrate with an excellent reusable property are of significant interest because of its vast prospective application in actual and complicated detection environments. Here, a simple synthesis strategy was presented to fabricate crystalline two-dimensional (2D) MoO2/N-doped-carbon nanosheets with the plasmonic property. The morphology, crystal phase, and surface property of MoO2 nanomaterials (NMs) were specifically controlled under suitable reaction conditions. In addition, the plasmonic MoO2/N-doped-carbon NM exhibited a SERS maximum enhancement factor up to 1.38 {\texttimes} 104 with a detection limit as low as 1.0 {\texttimes} 10{\textendash}6 M. More importantly, the as-synthesized nanocomposite shows high selectivity as a {\textquotedblleft}SERS Tweezer{\textquotedblright} toward methylene blue (MB) in binary and ternary mixed interfering analyte solutions, preserving detection sensitivity toward MB for three cycles via an {\textquotedblleft}elect-and-eliminate{\textquotedblright} approach. This strategy will be helpful to design other plasmonic semiconductor NMs for successful tangible applications of selective SERS sensing for trace impurity detections in real and complex environments.}, doi = {10.1021/acsanm.1c02151}, url = {https://doi.org/10.1021/acsanm.1c02151}, author = {Gaikwad, Supriya Hanmant and Mukherjee, Shatabdi Porel} } @article {47579, title = {2D-QSAR modeling and two-fold classification of 1,2,4-triazole derivatives for antitubercular potency against the dormant stage of Mycobacterium tuberculosis}, journal = {Molecular Diversity}, volume = {26}, year = {2021}, month = {APR}, pages = {1227-1242}, type = {Article}, abstract = {
The dormant or latent form of Mycobacterium tuberculosis (MTB) is not killed by the conventional antitubercular drugs. The treatment of latent TB is essential to reduce the period of treatment as well as incidences of drug resistance. In this background, we have made an attempt to develop the quantitative structure-activity relationship models (QSAR: regression and classification based) against the dormant form of MTB and later used the developed classifier models (linear discriminant analysis (LDA) and random forest (RF)) for the two-fold classifications. The logic of applying this concept of two-fold classification for the MTB modeling is to increase the confidence of correct classification. The 2D-QSAR modeling suggested the contribution of burden eigen, edge adjacency, van der Waals (vdW) surface area, topological charge, and pharmacophoric indices in predicting the antitubercular activity against the dormant MTB. The prediction qualities of the training and test sets were found to be moderate and good, according to the mean absolute error (MAE)-based criteria{\textquoteright}s. The LDA and RF models unveiled the importance of burden eigen, edge adjacency, Geary autocorrelation, and drug-like indices as discriminating features to differentiate the antitubercular compounds into higher and lower active groups. The LDA model showed the classification accuracies of 85.14\% and 87.10\% for the training and test sets, while the RF model exhibited the accuracies of 100.00\% and 80.65\% for both the sets. The descriptors selected in the final models are only two-dimensional (2D), which are easy to compute and does not require computationally expensive steps of structure conversion, optimization, and energy minimization mandatorily needed before the computation of 3D descriptors. These models could be used for identifying and selection of higher active compounds against the dormant form of the MTB.
}, keywords = {Classification models, Dormant TB, Linear discriminant analysis (LDA), Mycobacterium tuberculosis (MTB), Nonlinear modeling, QSAR, Random forest (RF)}, issn = {1381-1991}, doi = {10.1007/s11030-021-10254-y}, author = {Aher, Rahul Balasaheb and Sarkar, Dhiman} } @article {47595, title = {Access to a variety of Ge(II) and Sn(II) compounds through substitution of hypersilyl moiety}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {AUG }, pages = {2651-2657}, type = {Article}, abstract = {We have prepared amidinato-germylene (3) and -stannylene (4) with a tris(trimethylsilyl)silyl substituent and subsequently substituted the hypersilyl moiety by reacting 3 with chlorophosphines, which led to phosphino germylenes (5 and 6) with concomitant liberation of (Me3Si)(3)SiCl. Exploiting the fluoride affinity of the silicon atom, we have prepared pentafluoropyridyl germylene (7) and -stannylene (8) by reacting 3 and 4 with C5F5N with simultaneous elimination of (Me3Si)(3)SiF. These are the first examples of aryl germylenes or stannylenes prepared via C-F bond activation of a perfluoroarene. The reaction of 4 with Me3NO resulted in a novel Sn2O2 ring (9). All compounds were characterized by single-crystal X-ray structure determination studies.}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00306}, author = {Bisai, Milan Kumar and Ajithkumar, V. S. and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47669, title = {Access to enantiomeric organic compounds with potential for synthesis via racemic conglomerates: inositol derivatives as a case in point}, journal = {Crystal Growth \& Design}, volume = {21}, year = {2021}, month = {JUL}, pages = {3786-3797}, type = {Article}, abstract = {The crystal structure database was used to identify inositol derivatives that could be crystallizing as racemic conglomerates. Among the six racemic inositol derivatives identified, racemic 4-O-tosyl-6-O-benzyl-myo-inositol-1,3,5-orthoformate (A) was found to be a true conglomerate and was resolved on the multigram scale by the preferential crystallization technique. This resolution procedure does not require the use of any enantiomeric resolving agent. The resolved enantiomers of A are useful for the synthesis of natural and unnatural enantiomeric derivatives of inositol, since they carry orthogonal hydroxy protecting groups. Racemic 4-O-methanesulfonyl-myo-inositol-1,3,5-orthoformate (B) on crystallization from common organic solvents generally yielded racemic twin crystals, while in the presence of structural analogs as additives, they yielded true racemic crystals. A comparison of the crystal structures of the true racemate, twinned crystal and crystal of one of the enantiomers of B, revealed the reasons for the formation of polymorphic (twin) crystals. Such instances are relatively rarely encountered but nevertheless shed light on our understanding of polymorphism and twinning of crystals.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.1c00126}, author = {Patil, Nivedita T. and Patil, Madhuri T. and Sarkar, Nitai and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article {47711, title = {Accurate identification of bioactive meliaceae limonoids by UHPLC-MS/ms based structure-fragment relationships (SFRs)}, journal = {ACS Omega}, volume = {6}, year = {2021}, month = {OCT }, pages = {26454-26476}, type = {Article}, abstract = {Y Limonoids are bioactive plant specialized metabolites found in the Meliaceae family. The basic limonoids, i.e., azadiradione, epoxyazadiradione, and gedunin have been exploited for various bioactivities and therefore are the potential drug leads for tomorrow. However, their low abundance, structural similarity, and lack of adequate mass fragmentation data have hampered their accurate identification and quantification from various sources. In the present study, basic limonoids such as azadirone, azadiradione, epoxyazadiradione, and gedunin isolated from Neem were utilized for the synthesis of their derivatives and isotopologs. A total of 30 one compounds were used in this study among which five were isolated, two were biotransformed, and 24 were synthesized. Among the synthesized compounds nine are novel compounds including six deuterated analogs/isotopologs which are (1,3-H-2)-1,2dihydro-3 beta-hydroxyazadiradione (9), (1,3,16-H-2)-1,2-dihydro-3 beta-16 beta-dihydroxyazadiradione (10), 3 beta-hydroxyazadiradione (11), 3 beta-16 beta-dihydroxyazadiradione (12), (3-H-2)-3 beta-hydroxyazadiradione (13), (3,16-H-2)-3 beta-16 beta-dihydroxyazadiradione (14), (1,3,7-H-2)-1,2-dihydro-3 beta-hydroxy-7-deacetylazadiradione (15), 1,2,20,21,22,23-hexahydroazadiradione (17), and (1,3-H-2)-1,2-dihydro-3 beta-hydroxygedunin (29). These limonoids along with their semisynthesized derivatives were subjected to ultra high performance liquid chromatography mass spectrometry (UHPLC-MS/MS) and the fragmentation pathway was established based on structure-fragment relationships (SFRs), utilizing high resolution MS/MS data. We have developed a most reliable and easily reproducible protocol describing in depth analysis of SFRs based on the structural modifications and synthesis of isotopologs. Also, the MS/MS fragment library of these basic limonoids generated in this study acts as a fingerprint for accurate identification and quantification of limonoids by MS/MS analysis in various plant tissue extracts, phytopharmaceutical formulations and biological samples.}, issn = {2470-1343}, doi = {10.1021/acsomega.1c03697}, author = {Mulani, Fayaj A. and Nandikol, Sharvani S. and Haldar, Saikat and Thulasiram, V, Hirekodathakallu} } @article {47635, title = {Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {JUL}, pages = {11927-11936}, type = {Article}, abstract = {We describe the synthesis of new NNN-oxazolinyl-pincer nickel complexes and their application in the transfer hydrogenation of ketones. Achiral NNN-ligands, R {\textquoteleft}(2)-oxazolinyl-2-C6H4-NH-C(O)CH2NEt2 [((R {\textquoteleft} 2-OxNNNEt2))-H; R{\textquoteright} = H (3a), R {\textquoteleft} = Me (3b)], and chiral ligands, (R)-R {\textquoteleft}-oxazolinyl-2-C6H4-NH-C(O)CH2NEt2 [(R)-((R {\textquoteleft}-OxNNNEt2))-H; R {\textquoteleft} = Ph (3c), R {\textquoteleft} = CH2Ph (3d), R {\textquoteleft} = Pr-i (3e), R {\textquoteleft} = (CH2Pr)-Pr-i (3f)], were efficiently synthesized. Treatment of these ligands with (DME)NiCl2 afforded the desired amido-pincer nickel complexes, ((R {\textquoteleft} 2-OxNNNEt2))NiCl [R {\textquoteleft} = H (4a), R {\textquoteleft} = Me (4b)] and ((R {\textquoteleft}-OxNNNEt2))NiCl [R {\textquoteleft} = Ph (4c), R {\textquoteleft} = CH2Ph (4d), R {\textquoteleft} = Pr-i (4e), R {\textquoteleft} = (CH2Pr)-Pr-i (4f)], in good yields. All the ligand precursors and nickel complexes were thoroughly characterized by various analytical techniques. The molecular structures of 4a, 4d and 4f were established by X-ray crystallography. The developed nickel complexes were found to be efficient catalysts for the transfer hydrogenation of ketones using (PrOH)-Pr-i as a viable hydrogen source. Enantioselectivity in hydrogenation was not observed with the developed chiral catalysts.}, issn = {1144-0546}, doi = {10.1039/d1nj01698a}, author = {Jagtap, Rahul A. and Ankade, Shidheshwar B. and Gonnade, Rajesh G. and Punji, Benudhar} } @article {47609, title = {Acid mediated sulfonylation of para-quinone methides with tosylmethyl isocyanides for the synthesis of diarylmethyl sulfones}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {JUL }, pages = {7158-7161}, type = {Article}, abstract = {An efficient, hydrochloric acid promoted reaction for the synthesis of diarylmethyl sulfones has been developed via unprecedented 1, 6-conjugate addition reaction of tosylmethyl isocyanide (TosMIC) with para-quinone methides.This catalyst free reaction provides various diarylmethyl sulfones in good to excellent yields in an operationally simple method under metal free conditions. Further transformations of the productsare also demonstrated.}, keywords = {1, 6-Conjugate addition, aromatization, Diarylmethylsulfone, para-Quinonemethide, TosMIC}, issn = {2365-6549}, doi = {10.1002/slct.202102272}, author = {Kumar, Pawan and Kale, Someshwar B. and Gonnade, Rajesh G. and Das, Utpal} } @article {47686, title = {Active and recyclable gold metal nanoparticles catalyst supported on nitrogen-doped mesoporous carbon for chemoselective hydrogenation of cinnamaldehyde to cinnamyl alcohol}, journal = {Chemistry-An Asian Journal}, volume = {16}, year = {2021}, month = {SEP }, pages = {2702-2722}, type = {Article}, abstract = {Several supported gold metal catalysts with different Au nanoparticles sizes were prepared and evaluated for the chemoselective hydrogenation of cinnamaldehyde (CA) to cinnamyl alcohol (CAL). To investigate the structure-activity relationship, stability of catalyst, heterogeneity and recyclability, the structural characteristics of materials and Au catalysts (fresh and spent catalysts) were studied by employing variety of physico-chemical techniques. The interrelationship among Au nanoparticles size (nm) with turnover frequency (h(-1)) of Au catalysts has also been explored. Among the various Au catalysts tested, nitrogen-doped mesoporous carbon (NMC) supported Au catalyst having homogeneously dispersed (78.8\%) Au nanoparticles (1.6 nm) synthesized by sol-immobilization method (Au-NMC-SI) demonstrated improved catalytic activity affording 78\% CAL selectivity and 94.2\% CA conversion without using any promoter. Moreover, Au-NMC-SI catalyst exhibited good recyclability and stability. The catalyst synthesis approach described in this investigation opens up a novel strategy for the design of highly efficient metal nano-catalysts supported on NMC materials.}, keywords = {Au Nanoparticles, heterogeneous catalysis, Hydrogenation, Nitrogen-doped mesoporous carbon, Support-Metal interaction}, issn = {1861-4728}, doi = {10.1002/asia.202100552}, author = {Nagpure, Atul S. and Gogoi, Pranjal and Chilukuri, Satyanarayana V.} } @article {47578, title = {Active K-OMS-2 supported catalyst for hydrogenolysis of glycerol}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {SEP}, pages = {8700-8708}, type = {Article}, abstract = {Propanediols are very important chemical intermediates, which need to be prepared through commercially viable routes. Cryptomelane type octahedral molecular sieve-2 (K-OMS-2), a cheap and environmentally benign microporous oxide was employed to support Ru and used as a catalyst to get 1,2-propanediol (1,2-PDO) selectively through hydrogenolysis of glycerol. Three catalysts with different Ru content were prepared and evaluated for glycerol hydrogenolysis. Among these, 1 wt.\% Ru-K-OMS-2 showed reasonably good activity towards 1,2-PDO formation under moderate reaction conditions even at lower Ru loading (0.9 wt.\%). When other metals such as Cu and Ni were supported on K-OMS-2, their performance was inferior compared to Ru-supported catalysts. All the catalysts were characterized using various physicochemical techniques like XRD, N-2-sorption, TPD, H-2-TPR, TGA, ICP-OES, FE-SEM and TEM. The enhanced catalytic activity with the 1 wt.\%Ru-K-OMS-2 catalyst was attributed to the better Ru metal dispersion, higher active metal surface area, basic strength, and porosity of the support. The catalyst was found to be recyclable. Analysis of spent catalyst by TEM showed disintegration of Ru nanoparticles to smaller ones, under high H-2 pressure at the reaction temperature. Smaller Ru particles are expected to promote C-C bond cleavage thus suppressing 1,2-PDO formation. Furthermore, a relationship between the TOF value, Ru nanoparticles size, and the basic strength of the catalysts was established, which provides dipper insight into the different catalytic behavior of the catalysts.}, keywords = {Glycerol, Hydrogenolysis, octahedral molecular sieves, Propanediols, selectivity}, issn = {2365-6549}, doi = {10.1002/slct.202101664}, author = {Gogoi, Pranjal and Chilukuri, Satyanarayana and Thirumalaiswamy, Raja} } @article {47585, title = {Active nickel hollow nanosphere supported over SiO2 catalyst for reduction of nitro compound}, journal = {Particulate Science and Technology}, volume = {40}, year = {2021}, month = {APR}, pages = {325-335}, type = {Article}, abstract = {
Nickel hollow nanospheres (Ni HNSs) was prepared by solvothermal method using mixture of ethylenediamine (EN) and ethanol (ET), sodium borohydride as reducing agent and nickel chloride hexahydrate as precursor. The particle size of the Ni HNSs were tuned by varying several parameters including precursor concentrations, reaction temperatures (130-190 degrees C), and ET to EN volume ratios. The particle size and morphology of Ni HNSs were confirmed by dynamic light scattering and transmission electron microscope, respectively. Spherical shape of Ni nanoparticles of 300 nm size having similar to 200 nm hollow space and 50 nm thickness was achieved at optimize condition of 4:6 volume ratio of ET/EN, 150 degrees C temperature, 0.1 M NaBH4 concentration, and 7 h. Ni HNSs supported over SiO2 (Ni HNSs/SiO2) with different loading of Ni HNSs (1-10 wt.\%) were prepared by impregnation method. The catalyst was characterized by X-ray diffraction, and inductively coupled plasma - optical emission spectroscopy. The catalytic performance of Ni HNSs/SiO2 was carried out in the reduction of 4-Nitrophenol (4-NP) to 4 - Aminophenol (4-AP). 5 wt.\% Ni HNSs/SiO2 exhibited 87\% reduction of 4-NP in 25 min and stable up to 6 catalyst cycles due to higher surface area of the catalyst.
}, keywords = {4-Aminophenol, 4-nitrophenol, Catalyst, hollow nanospheres, Nanoparticles, Nickel}, issn = {0272-6351}, doi = {10.1080/02726351.2021.1947424}, author = {Pawar, Priyanka S. and Lokhande, Aboli A. and Nandanwar, Sachin U. and Niphadkar, Prashant S. and Bokade, Vijay V.} } @article {47042, title = {Advances in C(sp(2))-H/C(sp(2))-H oxidative coupling of (Hetero)arenes using 3d transition metal catalysts}, journal = {Advanced Synthesis \& Catalysis}, volume = {363}, year = {2021}, month = {APR}, pages = {1998-2022}, type = {Review}, abstract = {
C-H/C-H oxidative coupling has emerged as a straightforward and powerful technique for the construction of (hetero)biaryls, with substantial application to drug discovery, agrochemicals, biology, and material sciences. Mainly aryl-aryl, aryl-heteroaryl, and heteroaryl-heteroaryl couplings via double C(sp(2))-H activation using 4d or 5d noble transition metal catalysts have been extensively studied. Considering the earth-abundant and inexpensive nature of 3d transition metals, the sustainable development of C(sp(2))-H/C(sp(2))-H oxidative coupling employing such metal catalysts has gained significant attention. In this review, we present a comprehensive overview of C(sp(2))-H/C(sp(2))-H oxidative coupling of (hetero)arenes catalyzed by 3d transition metals.
}, keywords = {(hetero)biaryls, 3d transition metal, Biaryls, C-H activation, cross-dehydrogenative coupling}, issn = {1615-4150}, doi = {10.1002/adsc.202001498, Early Access Date = MAR 2021}, author = {Bansal, Sadhna and Shabade, Anand B. and Punji, Benudhar} } @article {46739, title = {Advances in solid catalysts for selective hydrogenolysis of glycerol to 1,3-propanediol}, journal = {Catalysis Reviews-Science and Engineering}, year = {2021}, month = {JAN}, type = {Review}, abstract = {
Glycerol is one of the top 12 platform chemicals obtained from biomass. Its surplus availability as a by-product of biodiesel, fat-splitting and soap manufacturing industries and affordable price lends significant opportunity for its valorization, using solid catalysts, into propanediols (PDOs), particularly to 1,3-propanediol (1,3-PDO), by selective hydrogenolysis. 1,3-PDO is an important chemical with wide applications including that as a precursor in polymers manufacturing. However, the synthesis of 1,3-PDO by selective cleavage of the secondary C-O bond of glycerol in the presence of hydrogen (instead of the primary C-O bond yielding 1,2-PDO) is highly challenging. Of late, supported Pt and Ir catalysts in combination with a reducible oxide (WO(x)or ReOx) were found selective for 1,3-PDO formation. Support, metals composition and additives (co-added metals) affect the performance of these catalysts. Detailed investigations revealed that metal dispersion, electronic connectivity between metal and metal oxide/support, hydrogen activation/spillover and Bronsted acidity are some parameters that influence the activity and selectivity of these bi-functional, metal-metal oxide catalysts. This review summarizes the latest advances in these solid catalysts for selective hydrogenolysis of glycerol to 1,3-PDO, a monomer for advanced polymers.
}, keywords = {1, 3-Propanediol, bifunctional metal-metal oxide catalyst, biomass valorization, Glycerol, Hydrogenolysis}, issn = {0161-4940}, doi = {10.1080/01614940.2020.1794737}, author = {Bhowmik, Susmita and Darbha, Srinivas} } @article {47398, title = {Advances in transition-metal-catalyzed C-H bond oxygenation of amides}, journal = {Synthesis-Stuttgart}, year = {2021}, month = {APR }, type = {Article; Early Access}, abstract = {
C-O bond formation represents a fundamental chemical transformation in organic synthesis to develop valuably oxygenated (hetero)arenes. Particularly, the direct and regioselective C-H bond oxygenation of privileged amides, using a transition metal catalyst and a mild oxygenating source, is a step-economy and attractive approach. During the last decade, considerable progress has been realized in the direct C-H oxygenation of primary, secondary, and tertiary amides. This Short Review compiles the advances in transition-metal-catalyzed oxygenation of C(sp(2))-H and C(sp(3))-H bonds on various amides with diverse oxygenation sources. The review is categorized into two different major sections: (i) C(sp(2))-H oxygenation and (ii) C(sp(3))-H oxygenation. Each section is discussed based on the directing group (monodentate and bidentate) attached to the amide derivatives.
}, keywords = {Amides, C-H activation, directing group, Oxygenation, Transition Metal}, issn = {0039-7881}, doi = {10.1055/a-1481-2584, Early Access Date = APR 2021}, author = {Vijaykumar, Muniyappa and Punji, Benudhar} } @article {47078, title = {Aggregation-induced phosphorescence of an anthraquinone based emitter}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {FEB }, pages = {1004-1008}, type = {Article}, abstract = {
Room temperature phosphorescence (RTP) of metal-free organic molecules is a hot topic of current research interest. RTP can be enhanced through aggregation, crystallization, and the support of polymers and host-guest assemblies. The characteristics of highly phosphorescent aggregates formed from conventional chromophores make them ideal candidates for many potential applications. In this direction, we focused on the aggregation-induced phosphorescence of an anthraquinone derivative AqC6 in solution and in crystal state. The weakly emissive dilute solution exhibits a tunable emission with enhanced intensity and room temperature phosphorescence by increasing the concentration and solvent-antisolvent combination. The enhanced phosphorescence of crystals has been recreated in the solution by making use of aggregation. Interestingly, the support of PMMA enabled AqC6 to achieve enhanced processability, phosphorescence lifetime (174 ms) and quantum yield (5\%).
}, issn = {1477-0520}, doi = {10.1039/d0ob02505d}, author = {Goudappagouda and Nidhankar, Aakash D. and Nayak, Rashmi A. and Babu, Sukumaran Santhosh} } @article {47128, title = {Alpha-Linolenic acid inhibits Tau aggregation and modulates Tau conformation}, journal = {International Journal of Biological Macromolecules}, volume = {166}, year = {2021}, month = {JAN }, pages = {687-693}, type = {Article}, abstract = {
Alzheimer{\textquoteright}s disease is characterized by important patho-proteins, which being composed of Amyloid-beta, plaques and intracellular neurofibrillary tangles of Tau. Intrinsically disordered protein tau has several interacting partners, which are necessary for its normal functioning. Tau has been shown to interact with various proteins, nucleic acid, and lipids. alpha-Linolenic acid (ALA) a plant-based omega-3 fatty acid has been studied for its role as neuroprotective and beneficial fatty add in the brain. In this study, we are focusing on the ability of ALA to induce spontaneous assembly in tau protein. ALA inhibited the Tau aggregation as indicated by reduced ThS fluorescence kinetics, which indicates no aggregation of Tau. Similarly, SDS-PAGE analysis supported that ALA exposure inhibited the aggregation as no higher-order tau species were observed. Along with its ability to impede the aggregation of Tau, ALA also maintains a native random coiled structure, which was estimated by CD spectroscopy. Finally, TEM analysis showed that the formation of Tau fibrils was found to be discouraged by ALA. Hence, conclusion of the study suggested that ALA profoundly inhibited aggregation of Tau and maintained it{\textquoteright}s the random-coil structure. (C) 2020 Elsevier B.V. All rights reserved.
}, keywords = {alpha-linolenic acid, Alzheimer{\textquoteright}s disease, Free fatty adds, Tau conformation, Tau fibrillization}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.10.226}, author = {Desale, Smita Eknath and Dubey, Tushar and Chinnathambi, Subashchandrabose} } @article {47124, title = {Alpha-Linolenic acid modulates phagocytosis and endosomal pathways of extracellular Tau in microglia}, journal = {Cell Adhesion \& Migration}, volume = {15}, year = {2021}, month = {JAN }, pages = {84-100}, type = {Article}, abstract = {
Microglia, the resident immune cells, were found to be activated to inflammatory phenotype in Alzheimer{\textquoteright}s disease (AD). The extracellular burden of amyloid-beta plaques and Tau seed fabricate the activation of microglia. The seeding effect of extracellular Tau species is an emerging aspect to study about Tauopathies in AD. Tau seeds enhance the propagation of disease along with its contribution to microglia-mediated inflammation. The excessive neuroinflammation cumulatively hampers phagocytic function of microglia reducing the clearance of extracellular protein aggregates. Omega-3 fatty acids, especially docosahexaenoic acid and eicosapentaenoic acid, are recognized to induce anti-inflammatory phenotype of microglia. In addition to increased cytokine production, omega-3 fatty acids enhance phagocytic receptors expression in microglia. In this study, we have observed the phagocytosis of extracellular Tau in the presence of alpha-linolenic acid (ALA). The increased phagocytosis of extracellular Tau monomer and aggregates have been observed upon ALA exposure to microglia cells. After internalization, the degradation status of Tau has been studied with early and late endosomal markers Rab5 and Rab7. Further, the lysosome-mediated degradation of internalized Tau was studied with LAMP-2A, a lysosome marker. The enhanced migratory ability in the presence of ALA could be beneficial for microglia to access the target and clear it. The increased migration of microglia was found to induce the microtubule-organizing center repolarization. The data indicate that the dietary fatty acids ALA could significantly enhance phagocytosis and intracellular degradation of internalized Tau. Our results suggest that microglia could be influenced to reduce extracellular Tau seed with dietary fatty acids.
}, keywords = {alpha-linolenic acid, endosomal markers, Fatty acids, MTOC repolarization, Phagocytosis, Tauopathy}, issn = {1933-6918}, doi = {10.1080/19336918.2021.1898727}, author = {Desale, Smita Eknath and Chinnathambi, Subashchandrabose} } @article {47720, title = {Amphifunctional mesoporous silica nanoparticles with {\textquoteleft}{\textquoteleft}molecular gates{\textquoteright}{\textquoteright} for controlled drug uptake and release}, journal = {Particle \& Particle Systems Characterization}, volume = {38}, year = {2021}, month = {DEC}, pages = {2100185}, type = {Article}, abstract = {It is demonstrated that the uptake and release of hydrophobic drugs/dyes by mesoporous silica nanoparticles (MSN) is critically dependent on the functional groups present on their outer surfaces. For this, amphifunctional MSNs are synthesized, possessing hydrophobic pores and hydrophilic functional groups on the outer surface. Further, the outer surface is modified with a different chain length of molecules, e.g., propargyl alcohol, triethylene glycol, and PEG (2000) via azide-alkyne click chemistry. The effect of these different surface functional groups on uptake of drug/dye is demonstrated with Nile red, proflavine (free base form), and rhodamine 6G. The uptake of these molecules is found to be inversely proportional to the bulkiness of surface functionality. To counter this effect, an alternate method of loading is proposed and demonstrated. Finally, the effect of these different functional groups on the release of loaded drug proflavine is studied, which supports the hypothesis that bulkier outer surface groups also hinder the release of drugs loaded in the porous MSN.}, keywords = {drug delivery and release, Mesoporous silica, molecular gating, surface functionalization}, issn = {0934-0866}, doi = {10.1002/ppsc.202100185}, author = {Shinde, Pravin and Prasad, V, Bhagavatula L.} } @article {47789, title = {Amphiphilic indoline-based unsymmetrical squaraine dyes for dye-sensitized solar cells: modulating the dye-TiO2/electrolyte interface for nonaqueous and aqueous electrolytes}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {NOV}, pages = {13932-13942}, type = {Article}, abstract = {A high molar extinction coefficient with sharp absorption properties from the range of visible to near-infrared regions makes squaraine dyes very attractive and potential chromophores for dye-sensitized solar cell (DSSC) applications. Here, we report a series of alkyl groups and glycolic chain [triethylene glycol (TEG)]-wrapped amphiphilic indoline-based unsymmetrical squaraine dyes, where the number of carbon atoms in the alkyl groups and TEG was systematically changed by incorporating the alkyl groups and TEG within the dye molecule for controlling the self-assembly of the dyes on the TiO2 surface and to improve the interfacial properties at the dye-TiO2/electrolyte interface. Due to the same skeletal characteristics, ASQ dyes showed similar photophysical and electrochemical properties in solution. Photovoltaic characterization of ASQ dyes was carried out in nonaqueous and aqueous electrolytes to evaluate the effect of alkyl groups and TEG on nonaqueous and aqueous DSSC device performances. VOC, JSC, and photovoltaic efficiencies were systematically enhanced by increasing the number of carbon atoms of alkyl groups into the dye molecules for nonaqueous DSSCs. Furthermore, addition of chenodeoxycholic acid (CDCA) decreased the charge recombination processes and resulted in enhanced efficiency, VOC, and JSC (enhanced incident photon-to-current conversion efficiency performance) compared to that without CDCA. The ASQ4 dye gave the highest nonaqueous DSSC efficiency of 6.39\%, a VOC of 711 mV, and a JSC of 12.18 mA/cm2 with 2 equiv of CDCA in the ASQ dye series. Furthermore, increased carbon atoms in the alkyl groups showed a detrimental effect on the aqueous DSSC efficiency due to the mismatch in the polarity at the dye-TiO2/electrolyte interface, being the reason for the decreased device efficiencies from ASQ2 to ASQ4 dyes. The ASQ2 dye gave the highest aqueous DSSC efficiency of 2.36\%, a VOC of 611 mV, and a JSC of 4.75 mA/cm2 without CDCA in the ASQ dye series.}, doi = {10.1021/acsaem.1c02733}, url = {https://doi.org/10.1021/acsaem.1c02733}, author = {Singh, Ambarish Kumar and Nithyanandhan, Jayaraj} } @article {47367, title = {Amyloid-beta-derived peptidomimetics inhibits tau aggregation}, journal = {ACS Omega }, volume = {6}, year = {2021}, month = {MAY }, pages = {11131-11138}, type = {Article}, abstract = {
The aggregation of tau protein is one of the hallmarks for Alzheimer{\textquoteright}s disease, resulting in neurodegeneration. The peptidomimetics strategy to prevent tau aggregation is more specific over other small molecules. In the present study, we analyzed the effect of amyloid-beta-derived peptidomimetics for inhibiting heparin-induced tau aggregation in vitro. These peptides and their derivatives were known to prevent aggregation of amyloid-beta. KLVFF is a hydrophobic sequence of the pentapeptide that prevented tau aggregation as observed by thioflavin S fluorescence, transmission electron microscopy, and circular dichroism spectroscopy. P4 and P5 also prevented assembly of tau into aggregates and formed short fibrils. The beta-sheet breaker LPFFD was however ineffective in preventing tau aggregation. The peptides further demonstrated reversal of tau-induced cytotoxicity in a dose-dependent manner. Our results suggested that these peptides can also be used to inhibit tau aggregation and also, toxicity induced by tau could be considered as potential molecules that have an effect on tau as well as amyloid-beta.
}, issn = {2470-1343}, doi = {10.1021/acsomega.9b03497}, author = {Gorantla, V. Nalini and Sunny, Lisni P. and Rajasekhar, Kolla and Nagaraju, Pramod G. and Priyadarshini, Poornima C. G. and Govindaraju, Thimmaiah and Chinnathambi, Subashchandrabose} } @article {47651, title = {Annulation of enals with carbamoylpropiolates via NHC-catalyzed enolate pathway: access to functionalized maleimides/iso-maleimides and synthesis of aspergillus FH-X-213}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {JUL }, pages = {9466-9477}, type = {Article}, abstract = {Herein we report the N-heterocyclic carbene (NHC)-catalyzed [3 + 2] annulation of alpha,beta-unsaturated aldehydes with carbamoylpropiolates via an unusual enolate pathway leading to the construction of highly functionalized maleimides or isomaleimides. The electronic effect imposed by the alkyl/aryl group present on the amide nitrogen of carbamoylpropiolates plays a crucial role in the selective formation of these important five-membered heterocyclic building blocks. The developed protocol is mild and tolerates a wide range of substituents on both substrates. The application of this protocol in the synthesis of the antibacterial natural product Aspergillus FH-X-213 has also been demonstrated.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00782}, author = {Viveki, Amol B. and Pol, Mahesh D. and Halder, Priyanka and Sonavane, Sameer R. and Mhaske, Santosh B.} } @article {47581, title = {Antimicrobial and antioxidant potential of a standardized ayurvedic formulation explains its clinical efficacy as gargles in post-radiotherapy oral cancer patients}, journal = {Journal of Herbal Medicine}, volume = {30}, year = {2021}, month = {DEC}, pages = {100510}, type = {Article}, abstract = {Introduction: Exploring the antioxidant and antimicrobial potential of a standardized proprietary poly-herbal powder and evaluating its clinical efficacy as an Ayurvedic gargle (Gandush) for reducing oral microbial load and side effects of radiotherapy in oral cavity cancer patients was the aim of this pilot study. Methods: Formulation (Gandush Churna) comprising Terminalia chebula Retz., Terminalia bellirica (Gaertn.) Roxb., Phyllanthus emblica L. and Curcuma longa L. and its decoction (Gandush Kwath) were standardized. In-vitro antioxidant potential and antimicrobial activity against selective bacterial and fungal strains were studied. Oral cavity cancer patients who had undergone radiotherapy were enrolled. The decoction was prepared by soaking Gandush Churna in water, boiling and reducing by 50 \%; and was used for gargling, twice a day, for 7 days. Total microbial count and identification of microbiota in the oral cavity as well as symptoms graded as per Common Terminology Criteria for Adverse Events, were noted before and after the treatment. Change in microbial load and shift in symptom gradations were analyzed. Results: A monograph with physicochemical, chromatography, safety and stability parameters was developed. The decoction possessed good in-vitro antioxidant and antimicrobial activities. Gargling therapy significantly reduced bacterial load while mildly controlled the fungal infection in oral cavity cancer patients. It significantly reduced the severity of symptoms viz. stomatitis and local pain, with considerably decreased xerostomia and dysphagia. Conclusions: Intervention of gargle therapy using poly-herbal formulation may serve as an effective complementary treatment to improve oral hygiene and reduce side effects of radiotherapy in oral cancer patients.}, keywords = {Anti-microbial, Antioxidant, Gandush, Gargle therapy, Oral cavity cancers, Radiotherapy side effects}, issn = {2210-8033}, doi = {10.1016/j.hermed.2021.100510}, author = {Chavan, Sandeep and Bhuvad, Sushama and Kumbhlakar, Bhagyashri and Auti, Jyoti and Walunj, Tanhaji and Pathak, Shridevi and Tanpure, Rahul and Gujar, Shweta and Shinde, Jagdish and Kulkarni, Arvind and Gupta, Vidya and Deshmukh, Vineeta and Sardeshmukh, Sadanand} } @article {47090, title = {Antimicrobial synergy of silver-platinum nanohybrids with antibiotics}, journal = {Frontiers in Microbiology}, volume = {11}, year = {2021}, month = {FEB }, pages = {610968}, type = {Article}, abstract = {
Various bacterial pathogens are responsible for nosocomial infections resulting in critical pathophysiological conditions, mortality, and morbidity. Most of the bacterial infections are associated with biofilm formation, which is resistant to the available antimicrobial drugs. As a result, novel bactericidal agents need to be fabricated, which can effectively combat the biofilm-associated bacterial infections. Herein, for the first time we report the antimicrobial and antibiofilm properties of silver-platinum nanohybrids (AgPtNHs), silver nanoparticles (AgNPs), and platinum nanoparticles (PtNPs) against Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus. The AgPtNHs were synthesized by a green route using Dioscorea bulbifera tuber extract at 100 degrees C for 5 h. The AgPtNHs ranged in size from 20 to 80 nm, with an average of similar to 59 nm. AgNPs, PtNPs, and AgPtNHs showed a zeta potential of -14.46, -1.09, and -11.39 mV, respectively. High antimicrobial activity was observed against P. aeruginosa and S. aureus and AgPtNHs exhibited potent antimicrobial synergy in combination with antibiotics such as streptomycin, rifampicin, chloramphenicol, novobiocin, and ampicillin up to variable degrees. Interestingly, AgPtNHs could inhibit bacterial biofilm formation significantly. Hence, co-administration of AgPtNHs and antibiotics may serve as a powerful strategy to treat bacterial infections.
}, keywords = {antibiofilm, antimicrobial synergy, biogenic synthesis, Characterization, silver-platinum nanohybrids}, issn = {1664-302X}, doi = {10.3389/fmicb.2020.610968}, author = {Ranpariya, Bansi and Salunke, Gayatri and Karmakar, Srikanta and Babiya, Kaushik and Sutar, Santosh and Kadoo, Narendra and Kumbhakar, Pathik and Ghosh, Sougata} } @article {47121, title = {Antisolvent based ultrasound-assisted batch and continuous flow precipitation of metformin hydrochloride particles}, journal = {Journal of Flow Chemistry}, volume = {11}, year = {2021}, month = {JUN}, pages = {181-192}, type = {Article}, abstract = {
Small sized particles of the antidiabetic drug metformin hydrochloride (MET.HCl) were produced by antisolvent based precipitation using an ultrasound assisted inverted jet reactor (IJR). This novel approach was implemented as a small passive mixer in which intensified turbulent mixing of the solution and the antisolvent occurred under controlled conditions. The optimized conditions for antisolvent precipitation (ASP) were investigated by studying the effect of solute concentration, antisolvent to solvent ratio and antisolvent temperature in batch systems. The optimized batch precipitation conditions were successfully translated into continuous flow process for the ultrasound assisted inverted jet reactor. The ability of the proposed clogging free inverted jet reactor approach can provide a scaled up alternative pathway to micro and millifluidic devices for manufacturing of small sized API particles, such as, MET.HCl for the formulations and encapsulations on an industrial scale.
}, keywords = {Continuous antisolvent precipitation, Jet-reactor, Metformin, supersaturation, Ultrasound}, issn = {2062-249X}, doi = {10.1007/s41981-020-00137-y, Early Access Date = JAN 2021}, author = {Pal, Sayan and Nikam, Arun V. and Kulkarni, Amol A.} } @article {47790, title = {Antitumor effects of Ir(III)-2H-indazole complexes for triple negative breast cancer}, journal = {Inorganic Chemistry}, volume = {60}, year = {2021}, month = {NOV}, pages = {17593-17607}, type = {Article}, abstract = {In this work, we have synthesized a series of novel C,N-cyclometalated 2H-indazole-ruthenium(II) and -iridium(III) complexes with varying substituents (H, CH3, isopropyl, and CF3) in the R4 position of the phenyl ring of the 2H-indazole chelating ligand. All of the complexes were characterized by 1H, 13C, high-resolution mass spectrometry, and elemental analysis. The methyl-substituted 2H-indazole-Ir(III) complex was further characterized by single-crystal X-ray analysis. The cytotoxic activity of new ruthenium(II) and iridium(III) compounds has been evaluated in a panel of triple negative breast cancer (TNBC) cell lines (MDA-MB-231 and MDA-MB-468) and colon cancer cell line HCT-116 to investigate their structure{\textendash}activity relationships. Most of these new complexes have shown appreciable activity, comparable to or significantly better than that of cisplatin in TNBC cell lines. R4 substitution of the phenyl ring of the 2H-indazole ligand with methyl and isopropyl substituents showed increased potency in ruthenium(II) and iridium(III) complexes compared to that of their parent compounds in all cell lines. These novel transition metal-based complexes exhibited high specificity toward cancer cells by inducing alterations in the metabolism and proliferation of cancer cells. In general, iridium complexes are more active than the corresponding ruthenium complexes. The new Ir(III)-2H-indazole complex with an isopropyl substituent induced mitochondrial damage by generating large amounts of reactive oxygen species (ROS), which triggered mitochondrion-mediated apoptosis in TNBC cell line MDA-MB-468. Moreover, this complex also induced G2/M phase cell cycle arrest and inhibited cellular migration of TNBC cells. Our findings reveal the key roles of the novel C{\textendash}N-cyclometalated 2H-indazole-Ir(III) complex to specifically induce toxicity in cancer cell lines through contributing effects of ROS-induced mitochondrial disruption along with chromosomal and mitochondrial DNA target inhibition.}, doi = {10.1021/acs.inorgchem.1c02193}, url = {https://doi.org/10.1021/acs.inorgchem.1c02193}, author = {Panchangam, Rajeeva Lochana and Rao, Ramdas Nishanth and Balamurali, Musuvathi Motilal and Hingamire, Tejashri B. and Shanmugam, Dhanasekaran and Manickam, Venkatraman and Chanda, Kaushik} } @article {47362, title = {Antiviral drugs prioritization for COVID-19 management based on rational selection}, journal = {Current Science}, volume = {120}, year = {2021}, month = {MAY }, pages = {1464-1470}, type = {Article}, abstract = {
The SARS-CoV-2 infection has resulted in COVID-19 pandemic worldwide. It has infected around 0.1 billion individuals and caused 2 million fatalities across the globe till mid-January 2021. Drug repurposing has been utilized as the most preferred therapeutic intervention for COVID-19 mitigation due to its necessity and feasibility. To prioritize therapeutic regime against COVID-19, we used 61 antiviral drugs and their combinations. Selected molecules were subjected to virtual screening against: (i) human angiotensin-converting enzyme 2 receptor binding domain (hACE-2) which serves as an anchor for virus attachment and entry, (ii) SARS-CoV-2 RNA dependent RNA polymerase (RdRp) responsible for viral RNA replication, and (iii) SARS-CoV-2 main protease (M-Pro) needed for viral polyprotein slab proteolytic processing. Based on docking score, pharmacodynamic and pharmacokinetic parameters, combinations of Daclatasvir, Elbasvir, Indinavir, Ledipasvir, Paritaprevir and Rilpivirine were analysed further. Our analysis suggested Sofosbuvir in combination with Ledipasvir and Daclatasvir as potential therapeutic agents for SARS-CoV-2. The combined score suggests that these combinations have superior anti-SARS-CoV-2 potential than Remdesivir and other investigational drugs. The present work provides a rationale-based approach to select drugs with possible anti-SARS-CoV-2 activity for further clinical evaluation.
}, keywords = {Drug repurposing, hACE-2, main protease, RNA dependent RNA polymerase, SARS-CoV-2}, issn = {0011-3891}, doi = {10.18520/cs/v120/i9/1464-1470}, author = {Joshi, Rakesh S. and Giri, Ashok P. and Kulkarni, Mahesh J. and Gupta, Mahesh and Verma, Savita and Chaudhry, Dhruva and Deshmukh, Narendra and Chugh, Anita} } @article {47349, title = {Application of allylic amine formation from aziridine-2-ol under appel reaction condition: synthesis of N-(tert-butoxycarbonyl)-D-vinyl glycine methyl ester}, journal = {Tetrahedron Letters}, volume = {73}, year = {2021}, month = {JUN }, pages = {153119}, type = {Article}, abstract = {
PPh3/I-2/imidazolde mediated allyl amine formation from aziridine-2-alcohol was explored for the synthesis of N-(tert-butoxycarbonyl)-D-vinyl glycine methyl ester. (C) 2021 Published by Elsevier Ltd.
}, keywords = {Allyl amine, Aziridine-2-alcohol, Aziridinium ion, Birch reaction, Ring opening}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2021.153119}, author = {Chavan, Subhash P. and Kawale, Sanket A. and Patil, Niteen B. and Kalbhor, Dinesh B.} } @article {47600, title = {Aqueous methanol to formaldehyde and hydrogen on Pd/TiO2 by photocatalysis in direct sunlight: structure dependent activity of nano-Pd and atomic Pt-coated counterparts}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {NOV }, pages = {13347-13360}, type = {Article}, abstract = {In the present investigation, facet-controlled Pd nanoparticles with nanocube (Pd-NC) and truncated octahedron (Pd-TO) morphologies, and their counterparts with half-a-monolayer of atomic Pt coated (0.5 theta(Pt)-Pd-NC and 0.5 theta(Pt)-Pd-TO) surfaces were prepared. All of them were characterized and evaluated as cocatalyst after supporting them on commercial titania (P25) (Pd-NC/P25, Pd-TO/P25, 0.5 theta(Pt)-Pd-NC/P25, and 0.5 theta(Pt)-Pd-TO/P25) under direct sunlight and/or one sun conditions for the oxidation of methanol to formaldehyde along with solar hydrogen production. Pd-NC/P25 shows higher activity for hydrogen generation compared to Pd-TO/P25; however, activity reversal occurs with the above cocatalysts, but, after Pt-coating with further enhanced activity. The highest conversion of methanol (0.2 mu mol/h.mg) to 100\% selective formaldehyde was observed with 0.5 theta(Pt)-Pd-TO/P25, while other catalysts show significantly lower methanol conversion in the following order: 0.5 theta(Pt)-Pd-TO/P25 > 0.5 theta(Pt)-Pd-NC/P25 > Pd-NC/P25 > Pd-TO/P25. Pt-coated on (111) facets of Pd-TO simulates the activity associated as that of Pt(111) facets and demonstrating the highest and facet dependent activity. The present study is truly in resonance with exploiting the surface properties for heterogeneous catalysis, and highlights that less than a monolayer of Pt is sufficient to simulate the activity as that of bulk Pt. It is worth exploring this concept to other metals and substrates too.}, keywords = {heterogeneous catalysis, Nanomaterials, Oxidation, Photocatalysis, surface modification}, issn = {2574-0962}, doi = {10.1021/acsaem.1c03080}, author = {Nalajala, Naresh and Salgaonkar, Kranti N. and Chauhan, Inderjeet and Mekala, Siva Prasad and Gopinath, Chinnakonda S.} } @article {47340, title = {Architecture of NaFe(MoO4)2 as a novel anode material for rechargeable lithium and sodium ion batteries}, journal = {Applied Surface Science}, volume = {559}, year = {2021}, month = {SEP }, pages = {149903}, type = {Article}, abstract = {
In recent decades, particular focus has been given to enhance the capacity of LIBs and SIBs either by developing new materials or by modifying existing materials. Hence, we have demonstrated a new anode material i.e. sodium iron molybdate [NaFe(MoO4)2] for both LIBs and SIBs. NaFe(MoO4)2 has been successfully synthesized by solid-state combustion technique and tested as a promising new anode material for both LIBs and SIBs. A detailed analysis of the crystal structure has been performed using DFT calculations. NaFe(MoO4)2 crystallizes in the monoclinic phase with the space group C2/c (\#15). FESEM also shows highly crystalline monoclinic shaped crystals of micron size. When evaluated as an anode material for LIBs, NaFe(MoO4)2 electrode exhibited electrochemical capacity of 920 mAhg- 1 in the second cycle at the current density of 50 mAg-1. Though capacity decreases on further cycling, the coulombic efficiency was maintained at 99\% for 50 cycles. Significantly, a high discharge capacity of 100 mAhg- 1 was maintained at a very high rate of 1 Ag-1. On the other hand, we have also tested NaFe(MoO4)2 for SIBs which shows excellent reversible specific capacity i.e. 100 mAhg- 1 at the current density of 100 mAg-1 even after 500 cycles. This novel system has shown good stability for LIBs and SIBs which is hitherto unattempted.
}, keywords = {Electrochemical study, lithium-ion battery, Morphology, NaFe(MoO4)2, Sodium-ion battery}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.149903}, author = {Tamboli, Asiya M. and Tamboli, Mohaseen S. and Praveen, C. S. and Dwivedi, Pravin Kumari and Karbhal, Indrapal and Gosavi, Suresh W. and Shelke, V, Manjusha and Kale, Bharat B.} } @article {47452, title = {Aspergillus derived mycotoxins in food and the environment: prevalence, detection, and toxicity}, journal = {Toxicology Reports }, volume = {8}, year = {2021}, month = {JAN}, pages = {1008-1030}, type = {Article}, abstract = {
Aspergillus\ species are the paramount ubiquitous fungi that contaminate various food substrates and produce biochemicals known as mycotoxins. Aflatoxins (AFTs), ochratoxin A (OTA), patulin (PAT), citrinin (CIT), aflatrem (AT), secalonic acids (SA), cyclopiazonic acid (CPA), terrein (TR), sterigmatocystin (ST) and gliotoxin (GT), and other toxins produced by species of\ Aspergillus\ plays a major role in food and human health. Mycotoxins exhibited wide range of toxicity to the humans and animal models even at nanomolar (nM) concentration. Consumption of detrimental mycotoxins adulterated foodstuffs affects human and animal health even trace amounts. Bioaerosols consisting of spores and hyphal fragments are active elicitors of bronchial irritation and allergy, and challenging to the public health.\ Aspergillus\ is the furthermost predominant environmental contaminant unswervingly defile lives with a 40{\textendash}90 \% mortality risk in patients with conceded immunity. Genomics, proteomics, transcriptomics, and metabolomics approaches useful for mycotoxins{\textquoteright} detection which are expensive. Antibody based detection of toxins chemotypes may result in cross-reactivity and uncertainty. Aptamers (APT) are single stranded DNA (ssDNA/RNA), are specifically binds to the target molecules can be generated by systematic evolution of ligands through exponential enrichment (SELEX). APT are fast, sensitive, simple, in-expensive, and field-deployable rapid point of care (POC) detection of toxins, and a better alternative to antibodies.
}, doi = {10.1016/j.toxrep.2021.04.013}, author = {Navale, Vishwambar and Vamkudoth, Koteswara Rao and Ajmera, Shanthipriya and Dhuri, Vaibhavi} } @article {47092, title = {Assessing the impact of deviations in optimized multistep flow synthesis on the scale-up (vol 5, pg 838, 2020)}, journal = {Reaction Chemistry \& Engineering}, volume = {6}, year = {2021}, month = {FEB }, pages = {353}, type = {Correction}, issn = {2058-9883}, doi = {10.1039/d1re90004h}, author = {Sharma, M. K. and Raval, J. and Ahn, Gwang-Noh and Kim, Dong-Pyo and Kulkarni, A. A.} } @article {47791, title = {Autophagic pathways to clear the tau aggregates in alzheimer{\textquoteright}s disease}, journal = {Cellular and Molecular Neurobiology}, volume = {41}, year = {2021}, month = {AUG}, pages = {1175-1181}, abstract = {Tau is a microtubule-associated protein with an intrinsically unstructured conformation. Tau is subjected to several pathological post-translational modifications (PTMs), leading to its loss of interaction with microtubules and accumulation as neurofibrillary tangles (NFTs) in neurons. Tau aggregates impede functions of endoplasmic reticulum and mitochondria leading to the generation of oxidative stress and in turn amplifying the Tau aggregation. Tau is channelled to chaperones for folding into their native form, which otherwise causes its degradation and clearance. Cellular response triggers the activation of ubiquitin{\textendash}proteasome system or autophagy to facilitate Tau degradation, based on the PTMs or mutations associated with Tau. Further, autophagy can be selective where Hsc70 interacts with Tau in monomeric, oligomeric and aggregated form and drives its clearance by chaperone-mediated autophagy pathway (CMA). Lysosome-associated membrane proteins-2A (LAMP-2A) is the key player of CMA that recognises Hsc70-Tau complex and triggers the downstream cascade. Thus, it becomes challenging for mutant Tau to be cleared by CMA as it loses its affinity for Hsc70 and LAMP-2A. In such a scenario, Tau might be degraded by macroautophagy otherwise sequestered by aggresomes. Henceforth, the degradation of Tau and its blockage that is associated with various PTMs of Tau would explain the dynamics of Tau degradation or accumulation in AD. Further, unveiling the role of accessory proteins involved in these degradation pathways would help in understanding their loss of function and preventing Tau clearance. }, doi = {10.1007/s10571-020-00897-0}, author = {vijay nalini, Gorantla and Chinnathambi, Subashchandrabose} } @article {47438, title = {Autophagy and unique aerial oxygen harvesting properties exhibited by highly photocatalytic carbon quantum dots}, journal = {Carbon}, volume = {181}, year = {2021}, month = {AUG}, pages = {16-27}, type = {Article}, abstract = {
Plastic pollution is a serious threat to the environment as they are not bio-degradable. Herein using waste-polyethylene, we report two inter-related important findings. First that they can be converted economically and completely into highly photocatalytic carbon quantum-dots (CQDs) using H2O2\ as a residue-free oxidant in an acid medium, and they have the ability to enrich a reaction medium with an extraordinary amount of molecular oxygen harvested from the air so that no separate oxygen source is needed while carrying out facile photocatalytic\ oxidation reactions. Second, when they are not performing any photocatalytic reaction, they exhibit self-sensitized photo-oxidation to convert themselves completely to CO2\ in the presence of sunlight, a phenomenon that we term as {\textquoteleft}CQD-autophagy{\textquoteright} by drawing parallels to the death of useless-cells in the body. Such extinction from the reaction media is unique as no other material is known to do so and advantageous because the removal of carbon-dots from a solution is rather inefficient from an industry-viewpoint due to their high solubility. Instead, the inexpensive CQDs can be discarded casually with the notion that they will gradually get eliminated from the environment.
}, keywords = {Carbon dots, Oxygen-enrichment, Photocatalytic oxidation, Self-sensitized photo-oxidation}, issn = {0008-6223}, doi = {10.1016/j.carbon.2021.04.054}, author = {Mondal, Sanjit and Vinod, C. P. and Gautam, Ujjal K.} } @article {47374, title = {Auxin: an emerging regulator of tuber and storage root development}, journal = {Plant Science}, volume = {306}, year = {2021}, month = {MAY}, pages = {110854}, type = {Review}, abstract = {
Many tuber and storage root crops owing to their high nutritional values offer high potential to overcome food security issues. The lack of information regarding molecular mechanisms that govern belowground storage organ development (except a tuber crop, potato) has limited the application of biotechnological strategies for improving storage crop yield. Phytohormones like gibberellin and cytokinin are known to play a crucial role in governing potato tuber development. Another phytohormone, auxin has been shown to induce tuber initiation and growth, and its crosstalk with gibberellin and strigolactone in a belowground modified stem (stolon) contributes to the overall potato tuber yield. In this review, we describe the crucial role of auxin biology in development of potato tubers. Considering the emerging reports from commercially important storage root crops (sweet potato, cassava, carrot, sugar beet and radish), we propose the function of auxin and related gene regulatory network in storage root development. The pattern of auxin content of stolon during various stages of potato tuber formation appears to be consistent with its level in various developmental stages of storage roots. We have also put-forward the potential of three-way interaction between auxin, strigolactone and mycorrhizal fungi in tuber and storage root development. Overall, we propose that auxin gene regulatory network and its crosstalk with other phytohormones in stolons/roots could govern belowground tuber and storage root development.
}, keywords = {Auxin, Potato, Storage root, Sweet potato, Tuber}, issn = {0168-9452}, doi = {10.1016/j.plantsci.2021.110854}, author = {Kondhare, Kirtikumar R. and Patil, Aruna B. and Giri, Ashok P.} } @article {47069, title = {Baicalein inhibits heparin-induced Tau aggregation by initializing non-toxic Tau oligomer formation}, journal = {Cell Communication and Signaling}, volume = {19}, year = {2021}, month = {FEB }, pages = {16}, type = {Article}, abstract = {
Background: Amyloid aggregate deposition is the key feature of Alzheimer{\textquoteright}s disease. The proteinaceous aggregates found in the afflicted brain are the intra-neuronal neurofibrillary tangles formed by the microtubule-associated protein Tau and extracellular deposits, senile plaques, of amyloid beta (A beta) peptide proteolytically derived from the amyloid precursor protein. Accumulation of these aggregates has manifestations in the later stages of the disease, such as memory loss and cognitive inabilities originating from the neuronal dysfunction, neurodegeneration, and brain atrophy. Treatment of this disease at the late stages is difficult, and many clinical trials have failed. Hence, the goal is to find means capable of preventing the aggregation of these intrinsically disordered proteins by inhibiting the early stages of their pathological transformations. Polyphenols are known to be neuroprotective agents with the noticeable potential against many neurodegenerative diseases, such as Alzheimer{\textquoteright}s, Parkinson{\textquoteright}s, and Prion diseases. Methods: We analyzed the capability of Baicalein to inhibit aggregation of human Tau protein by a multifactorial analysis that included several biophysical and biochemical techniques. Results: The potency of Baicalein, a polyphenol from the Scutellaria baicalensis Georgi, against in vitro Tau aggregation and PHF dissolution has been screened and validated. ThS fluorescence assay revealed the potent inhibitory activity of Baicalein, whereas ANS revealed its mechanism of Tau inhibition viz. by oligomer capture and dissociation. In addition, Baicalein dissolved the preformed mature fibrils of Tau thereby possessing a dual target action. Tau oligomers formed by Baicalein were non-toxic to neuronal cells, highlighting its role as a potent molecule to be screened against AD. Conclusion: In conclusion, Baicalein inhibits aggregation of hTau40 by enhancing the formation of SDS-stable oligomers and preventing fibril formation. Baicalein-induced oligomers do not affect the viability of the neuroblastoma cells. Therefore, Baicalein can be considered as a lead molecule against Tau pathology in AD.
}, keywords = {Alzheimer{\textquoteright}s disease, Baicalein, Tau dissolution, Tau inhibition, Tau Oligomers}, doi = {10.1186/s12964-021-00704-3}, author = {Sonawane, Shweta Kishor and Uversky, Vladimir N. and Chinnathambi, Subashchandrabose} } @article {47792, title = {Bibliometric analysis of emerging technologies in the field of computer science helping in ovarian cancer research}, journal = {Library Philosophy and Practice}, year = {2021}, month = {APR}, type = {Article}, abstract = {This study is carried out to provide an analysis of the literature available at the intersection of ovarian cancer and computing. A comprehensive search was conducted using Scopus database for English-language peer-reviewed articles. The study administers chronological, domain clustering and text analysis of the articles under consideration to provide high-level concept map composed of specific words and the connections between them.}, url = {https://digitalcommons.unl.edu/libphilprac/5590/}, author = {Kothari, Dr. Sonali and Gupta, Anvita and Agrawal, Muskaan and Jaggi, Kajal and Goswami, Adhiraj and Kotecha, Ketan and Dr, Karthikeyan and Khedkar, Vijayhsri} } @article {47793, title = {Bibliometric analysis of named entity recognition for chemoinformatics and biomedical information extraction of ovarian cancer}, journal = {Library Philosophy and Practice }, year = {2021}, month = {APR}, type = {Article}, abstract = {With the massive amount of data that has been generated in the form of unstructured text documents, Biomedical Named Entity Recognition (BioNER) is becoming increasingly important in the field of biomedical research. Since currently there does not exist any automatic archiving of the obtained results, a lot of this information remains hidden in the textual details and is not easily accessible for further analysis. Hence, text mining methods and natural language processing techniques are used for the extraction of information from such publications.Named entity recognition, is a subtask that comes under information extraction that focuses on finding and categorizing specific entities in text. In this paper, bibliometric analysis of named entity recognition of ovarian cancer is carried out using information about publications from Scopus. The most productive journals, countries and authors are determined. The most frequently cited article and its citation history has been described. Also bibliometric maps based on citation network among countries are constructed. This study can assist people in the medical field to get a comprehensive understanding of the study of BioNER. It can also be utilized for reference works, for the research and application of the BioNER visualization methods. }, url = {https://digitalcommons.unl.edu/libphilprac/5536/}, author = {Khedkar, Vijayhsri and Fernandes, Charlotte and desai, Devshi and Shinde, Mansi and Dr, Chavan, and Dr, Tidke, and Dr, Karthikeyan} } @article {47082, title = {Bimetallic nano alloy architecture on a special polymer: Ni or Cu merged with Pd for the promotion of the Mizoroki-Heck reaction and the Suzuki-Miyaura coupling}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {FEB }, pages = {8}, type = {Article}, abstract = {
Novel Ni-Pd and Cu-Pd bimetallic nano alloys was designed and heterogenized on the highly robust ABPBI [poly(2,5-benzimidazole)] polymer in high yields using NaBH4 as reducing agent. These were versatile ligand free catalysts for the Mizoroki-Heck reaction and Suzuki-Miyaura coupling. The bimetallic Ni-Pd-ABPBI catalyst for the Mizoroki-Heck reaction of 4-iodo anisole could be recycled 5 times with high yields. Aryl bromides could also be activated for the Mizoroki-Heck reaction using Cu-Pd-ABPBI NP catalysts, with moderate yields. Graphic abstractSynopsis Novel bimetallic Ni-Pd and Cu-Pd nano alloys, heterogenized on the robust ABPBI [poly(2,5-benzimidazole)] polymer using NaBH4 as reducing agent, is described. These were versatile ligand free, noble metal conservative catalysts, for the Mizoroki-Heck reaction and the Suzuki-Miyaura coupling. Aryl bromides were activated for the Mizoroki-Heck reaction using the Cu-Pd-ABPBI catalyst.
}, keywords = {Bimetallic nano alloys, Cu-Pd-ABPBI, Mizoroki-Heck reaction, Ni-Pd-ABPBI, Suzuki coupling}, issn = {0974-3626}, doi = {10.1007/s12039-020-01870-6}, author = {Patil, Vijay P. and Kashid, Abhijit A. and Solanki, Bhanupratap S. and Kharul, Ulhas K. and Iyer, Suresh} } @article {46754, title = {Bimetallic Ni-Pd synergism-mixed metal catalysis of the mizoroki-heck reaction and the suzuki-miyaura coupling of aryl bromides}, journal = {Catalysis Letters}, volume = {151}, year = {2021}, month = {FEB}, pages = {353-358}, type = {Article}, abstract = {
A combination of Pd and Ni complexes activated aryl bromides for the thermal Mizoroki-Heck reaction and Suzuki coupling giving high yields in short reaction times. A thermal redox mechanism probably occurs whereby Ni complex transfers electron and reduces the Pd (II) to Pd (0) which then takes the reactants through the standard protocol of oxidative-addition, migratory insertion and reductive elimination, typical for the Mizoroki-Heck reaction and the Suzuki coupling. [GRAPHICS] .
}, keywords = {Bimetallic catalysis, Mizoroki-Heck, Nickel complexes, Pd(OAc)2, Suzuki coupling}, issn = {1011-372X}, doi = {10.1007/s10562-020-03330-9, Early Access Date = AUG 2020}, author = {Kashid, Abhijit A. and Patil, Dharmaraj J. and Mali, Ramling D. and Patil, Vijay P. and Neethu, T. V. and Meroliya, Heena K. and Waghmode, Shobha A. and Iyer, Suresh} } @article {47794, title = {Bimetallic Ni{\textendash}Pd synergism{\textemdash}mixed metal catalysis of the mizoroki-heck reaction and the suzuki{\textendash}miyaura coupling of aryl bromides}, journal = {Catalysis Letters}, volume = {151}, year = {2021}, month = {FEB}, pages = {353 - 358}, type = {Article}, abstract = {A combination of Pd and Ni complexes activated aryl bromides for the thermal Mizoroki-Heck reaction and Suzuki coupling giving high yields in short reaction times. A thermal redox mechanism probably occurs whereby Ni complex transfers electron and reduces the Pd (II) to Pd (0) which then takes the reactants through the standard protocol of oxidative-addition, migratory insertion and reductive elimination, typical for the Mizoroki-Heck reaction and the Suzuki coupling.}, isbn = {1572-879X}, doi = {10.1007/s10562-020-03330-9}, author = {Kashid, Abhijit A. and Patil, Dharmaraj J. and Mali, Ramling D. and Patil, Vijay P. and Neethu, T. V. and Meroliya, Heena K. and Waghmode, Shobha A. and Iyer, Suresh} } @article {47341, title = {Bimetallic ZnFe2O4 nanosheets prepared via electrodeposition as binder-free high-performance supercapacitor electrodes}, journal = {Applied Surface Science}, volume = {559}, year = {2021}, month = {SEP }, pages = {149951}, type = {Article}, abstract = {
Binder-free bimetallic ZnFe2O4 nanosheets were fabricated using one-step electrodeposition, which facilitated excellent electrical contact between the ZnFe2O4 nanosheets and the nickel substrate. The resultant numerous ZnFe2O4 nanosheets with their cubic spinel structures promote interfacial activity to enhance the electrochemical and Faradaic redox reactions. The metallic Zn and Fe from the cubic spinel structure of ZnFe2O4 attract electrolytic ions and increase the energy-storage capability, thus yielding a specific capacitance of 1093 F.g(-1) at a current rate of 1 A.g(-1). Different samples were prepared by varying the amount of metal salts in the electrodeposition solution while maintaining a constant ZnNt:FeSO4 concentration ratio of 1:2 for all cases. The optimal electrode composition, which yielded an energy density of 54 Wh.kg(-1) and a capacitance retention of 93.5\% at N = 5000 charge-discharge cycles, was identified.
}, keywords = {Bimetallic, Electrodeposition, Energy storage device, supercapacitor, ZnFe2O4 nanosheet}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.149951}, author = {Joshi, Bhavana and Samuel, Edmund and Park, Chanwoo and Kim, Yongil and Lee, Hae-Seok and Yoon, Sam S.} } @article {47114, title = {Bioglycerol (C3) upgrading to 2,3-butanediol (C4) by cell-free extracts of Enterobacter aerogenes NCIM 2695}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {96}, year = {2021}, month = {MAY}, pages = {1316-1325}, type = {Article}, abstract = {
BACKGROUND Production of biobased chemicals from renewable resources is a green starring approach that serves as a substitute to petroleum derivatives. Bioglycerol, with its growing production as a co-product of biodiesel, is an attractive low-cost feedstock for the synthesis of platform chemicals by microbial fermentation. 2,3-butanediol (2,3-BDO) is amongst the top biorefinery platform chemicals that can be produced by glycerol fermentation. RESULTS The {\textquoteleft}Circular Economy{\textquoteright} concept is demonstrated by converting the by-product bioglycerol using a cell-free extract of Enterobacter aerogenes NCIM 2695 (National Collection of Industrial Microorganisms, NCIM), yielding 22 g L-1 2,3-BDO, in 96 h, 98\% atom economy and 0.4 g/g E factor. The cell-free bioglycerol conversion to 2,3-BDO was proved using a modified procedure for determining glycerol dehydrogenase enzyme assay by protein analysis and it was also shown to be cell-bounded. CONCLUSION Our study offers an effective utilization of the leftover material (i.e. cell-free extract) that biocatalysed C3 to C4 diol, which adds value to the overall economics of the process using only crude glycerol (C3) itself as a fermentative medium.
}, keywords = {2, 3-Butanediol, atom economy, circular economy, E factor, Glycerol, glycerol dehydrogenase}, issn = {0268-2575}, doi = {10.1002/jctb.6650, Early Access Date = JAN 2021}, author = {Parate, Roopa and Borgave, Mrunal and Dharne, Mahesh and Rode, Chandrashekhar} } @article {46671, title = {Biological process of lysine-tRNA charging is therapeutically targetable in liver cancer}, journal = {Liver International}, volume = {41}, year = {2021}, month = {JAN }, pages = {206-219}, type = {Article }, abstract = {
Background \& Aims Mature transfer RNAs (tRNA) charged with amino acids decode mRNA to synthesize proteins. Dysregulation of translational machineries has a fundamental impact on cancer biology. This study aims to map the tRNAome landscape in liver cancer patients and to explore potential therapeutic targets at the interface of charging amino acid with tRNA. Methods Resected tumour and paired tumour-free (TFL) tissues from hepatocellular carcinoma (HCC) patients (n = 69), and healthy liver tissues from organ transplant donors (n = 21), HCC cell lines, and cholangiocarcinoma (CC) patient-derived tumour organoids were used. Results The expression levels of different mature tRNAs were highly correlated and closely clustered within individual tissues, suggesting that different members of the tRNAome function cooperatively in protein translation. Interestingly, high expression of tRNA-Lys-CUU in HCC tumours was associated with more tumour recurrence (HR 1.1;P = .022) and worse patient survival (HR 1.1;P = .0037). The expression of Lysyl-tRNA Synthetase (KARS), the enzyme catalysing the charge of lysine to tRNA-Lys-CUU, was significantly upregulated in HCC tumour tissues compared to tumour-free liver tissues. In HCC cell lines, lysine deprivation, KARS knockdown or treatment with the KARS inhibitor cladosporin effectively inhibited overall cell growth, single cell-based colony formation and cell migration. This was mechanistically mediated by cell cycling arrest and induction of apoptosis. Finally, these inhibitory effects were confirmed in 3D cultured patient-derived CC organoids. Conclusions The biological process of charging tRNA-Lys-CUU with lysine sustains liver cancer cell growth and migration, and is clinically relevant in HCC patients. This process can be therapeutically targeted and represents an unexplored territory for developing novel treatment strategies against liver cancer.
}, keywords = {Cladosporin, liver cancer, lysine, Lysyl-tRNA Synthetase, tRNA-Lys-CUU, tRNAome}, issn = {1478-3223}, doi = {10.1111/liv.14692}, author = {Zhang, Ruyi and Noordam, Lisanne and Ou, Xumin and Ma, Buyun and Li, Yunlong and Das, Pronay and Shi, Shaojun and Liu, Jiaye and Wang, Ling and Li, Pengfei and Verstegen, Monique M. A. and Reddy, D. Srinivasa and van Der Laan, Luc J. W. and Peppelenbosch, Maikel P. and Kwekkeboom, Jaap and Smits, Ron and Pan, Qiuwei} } @article {47745, title = {Biological synthesis of alpha-Ag2S composite nanoparticles using the fungus Humicola sp. and its biomedical applications}, journal = {Journal of Drug Delivery Science and Technology}, volume = {66}, year = {2021}, month = {DEC}, pages = {102770}, type = {Article}, abstract = {Synthesis of alpha-Ag2S (silver sulfide) is a highly challenging task, usually attempted using synthetic, hazardous chemical processes. This report puts efforts to exploring microbial-based eco-friendly alternatives. A facile, onepot biological method for the synthesis of alpha-Ag2S composite nanoparticles (NPs) in an aqueous medium at ambient conditions was established. As prepared alpha-Ag2S composite NPs were efficiently produced from precursors silver nitrate and sodium sulfite. The extracellular biomolecules produced by Humicola sp. reduced the precursor solution and at the same time it capped the formed Ag2S NPs. The characterization performed by different techniques revealed excellent optical, morphological, and structural properties (size, shape distribution, and crystallinity) of the alpha-Ag2S NPs. The change in color from colorless to dark brown indicated the formation of alpha-Ag2S, which was further confirmed by fluorescence and UV-Visible spectroscopy, showing a sharp peak at 410 nm. Morphological analysis of alpha-Ag2S NPs confirmed the spherical shape, and narrow size distribution. alpha-Ag2S NPs were found to be potent in antimicrobial applications owing to their high dispersibility in water and capping by extracellular biomolecules secreted by Humicola sp. The anti-cancer activity for alpha-Ag2S performed using human breast cancer cell line (ZR-75-1) and human Burkitt{\textquoteright}s lymphoma cancer (Daudi). The biocompatibility test was performed using human peripheral blood mononuclear cells (PBMCs) for alpha-Ag2S NPs. The anti-leishmania activity was also determined for alpha Ag2S NPs in-vitro using the standard anti-promastigote protocol (Leishmania donovani promastigotes). This extracellular system is an economically and environmentally benign route for the biosynthesis of alpha-Ag2S NPs having desired surface, structure and biomedical properties.}, keywords = {Cytotoxicity, Fungus, Hemolysis, Humicolasp, Silver sulfide(alpha-Ag2S)}, issn = {1773-2247}, doi = {10.1016/j.jddst.2021.102770}, author = {Syed, Asad and Saedi, Marzouq Hussain Al and Bahkali, Ali H. and Elgorban, Abdallah M. and Kharat, Maheshkumar and Pai, Kalpana and Ghodake, Gajanan and Ahmad, Absar} } @article {47434, title = {Biomass-derived activated carbon material from native European deciduous trees as an inexpensive and sustainable energy material for supercapacitor application}, journal = {Journal of Energy Storage}, volume = {34}, year = {2021}, month = {FEB}, pages = {102178}, type = {Article}, abstract = {
Activated carbons are one of the possible electrode materials for supercapacitors (SCs), which are widely used in commercial applications. Herein, we reported the synthesis of a novel activated carbon derived through a cavitation process from the mixture of native European deciduous trees, Birch, Fagaceae, and Carpinus betulus (commonly known as European hornbeam), which was employed as the electrode material in SC. From the morphological and structural characterization, we observed that the prepared sample is a desirable carbon with good porosity and high specific surface area of about 614 m(2) g(-1). The electrochemical properties of the synthesized material were evaluated with a three-electrode configuration in 1.0 M H2SO4 electrolyte. It was found that in device mode, the carbon material delivers a specific capacitance of 24 F g(-1) at 0.25 A g(-1) with excellent cycling stability of over 10000 consecutive charge/discharge cycles. Thus, our studies demonstrate the facile synthesis of biomass-derived carbon and its application as a versatile electrode material for SC applications.
}, keywords = {Biomass, Carbon material, Deciduous trees, Electrode material, supercapacitor}, issn = {2352-152X}, doi = {10.1016/j.est.2020.102178}, author = {Jain, Amrita and Ghosh, Meena and Krajewski, Marcin and Kurungot, Sreekumar and Michalska, Monika} } @article {47633, title = {Bismuth(iii)-catalyzed bis-cyclization of propargylic diol-esters: a unified approach for the synthesis of [5,5]- and [6,5]-oxaspirolactones}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {AUG }, pages = {6618-6622}, type = {Article}, abstract = {Herein we disclose an unprecedented intramolecular cascade strategy for the construction of alpha,beta-unsaturated [5,5]- and [6,5]-oxaspirolactones that capitalizes on the pi-electrophilic Lewis acid-catalyzed 5-exo-dig or 6-exo-dig mode of cyclization of propargylic diol esters, followed by dehydration and spirolactonization steps. Moreover, semi-protected substrates also delivered the respective oxaspirolactones with the same ease and in appreciable yields under optimal reaction conditions.}, issn = {1477-0520}, doi = {10.1039/d1ob00974e}, author = {Kambale, Digambar A. and Borade, Balasaheb R. and Kontham, Ravindar} } @article {47048, title = {Boolean model for melanogenesis}, journal = {Physical Biology}, volume = {18}, year = {2021}, month = {MAR}, pages = {026004}, type = {Article}, abstract = {
Melanogenesis is a highly regulated process through which the pigment melanin is produced in skin cells. Irregularities in the molecular events that govern the process of skin pigmentation can cause disorders like vitiligo. In order to understand the biology of disease progression, it is important to have an in depth understanding of intracellular events. Mathematical models provide an integrated view of intracellular signalling. There are very few models to date that incorporate intracellular processes relevant to melanogenesis and only one to our knowledge that simulates the dynamics of response to varying levels of input. Here, we report the formulation of the largest Boolean model (265 nodes) for melanogenesis to date. The model was built on the basis of a detailed interaction network graph published by Raghunath et al. Through additional manual curation of the reported interactions, we converted the graph into a set of Boolean rules, following the procedure of the first Boolean model (62 nodes) for melanogenesis published by Lee et al. Simulations show that the predicted response to varying UV levels for most of the nodes is similar to the predictions of the existing model. The greater complexity allows investigation of the sensitivity of melanin to additional nodes. We carried out perturbation analysis of the network through node deletion and constitutive activation to identify sensitivity of outcomes, and compared the nodes identified as sensitive to previous reports.
}, keywords = {Boolean model, melanogenesis, Signal transduction}, issn = {1478-3967}, doi = {10.1088/1478-3975/abd3dd}, author = {Dnyane, Pooja and Gadgil, Chetan} } @article {47643, title = {C (1)-Symmetric diphosphorus ligands in metal-catalyzed asymmetric hydrogenation to prepare chiral compounds}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {NOV }, pages = {9095-9137}, type = {Review}, abstract = {Asymmetric hydrogenation has remained an important and challenging research area in industry as well as academia due to its high atom economy and ability to induce chirality. Among several types of ligands, chiral bidentate phosphine ligands have played a pivotal role in developing asymmetric hydrogenation. Although C-2-symmetric chiral bidentate phosphine ligands have dominated the field, it has been found that several C-1-symmetric ligands are equally effective and, in many cases, have outperformed their C-2-symmetric counterparts. This review evaluates the possibility of the use of C-1-symmetric diphosphorus ligands in asymmetric hydrogenation to produce chiral compounds. The recent strategies and advances in the application of C-1-symmetric diphosphorus ligands in the metal-catalyzed asymmetric hydrogenation of a variety of C=C bonds have been summarized. The potential of diphosphorus ligands in asymmetric hydrogenation to produce pharmaceutical intermediates, bioactive molecules, drug molecules, agrochemicals, and fragrances is discussed. Although asymmetric hydrogenation appears to be a problem that has been resolved, a deep dive into the recent literature reveals that there are several challenges that are yet to be addressed. The current asymmetric hydrogenation methods mostly employ precious metals, which are depleting at a fast pace. Therefore, scientific interventions to perform asymmetric hydrogenation using base metals or earth-abundant metals that can compete with established precious metals hold significant potential.}, issn = {1477-0520}, doi = {10.1039/d1ob01207j}, author = {Sen, Anirban and Chikkali, Samir H.} } @article {47084, title = {Can we identify the salt-cocrystal continuum state using XPS?}, journal = {Crystal Growth \& Design}, volume = {21}, year = {2021}, month = {FEB }, pages = {735-747}, type = {Article}, abstract = {
X-ray photoelectron spectroscopy (XPS) is used to understand the nature of acid-base crystalline solids, to know whether the product is a salt (proton transfer, O-center dot center dot center dot H-N+) or a cocrystal (neutral adduct, O-H center dot center dot center dot N). The present study was carried out to explore if intermediate states of proton transfer from COOH to nitrogen (the proton resides between hydrogen bonded to O and N, O center dot center dot center dot H center dot center dot center dot N, quasi state) can be differentiated from a salt (complete proton transfer, N+-H center dot center dot center dot center dot O-) and cocrystal (no proton transfer, O-H center dot center dot center dot N) using N 1s XPS spectroscopy. The intermediate states of proton transfer arise when the pK(a) difference between the acid and the conjugate base is between -1 and 4, -1 \< Delta pK(a) \< 4, a situation common with COOH and pyridine functional groups present in drug molecules and pharmaceutically acceptable coformers. Complexes of pyridine N bases with aromatic COOH molecules in nine salts/cocrystals were cocrystallized, and their N 1s core binding energies in XPS spectra were measured. The proton state was analyzed by single-crystal X-ray diffraction for confirmation. Three new complexes were crystallized and analyzed by XPS spectra (without knowledge of their X-ray structures), to assess the predictive ability of XPS spectra in differentiating salt-cocrystal intermediate states against the extremities. The XPS results were subsequently confirmed by single-crystal X-ray data. Complexes of 3,5-dinitrobenzoic acid and isonicotinamide in 1:1 and 1:2 ratios exist as a salt and a salt-cocrystal continuum, respectively, as shown by the N 1s core binding energies. The proton states of the crystalline solids by XPS are in good agreement with the corresponding crystal structures. Other complexes, such as those of 3,5-dinitrobenzoic acid with 1,2-bis(4-pyridyl)ethylene, exhibit a salt-cocrystal continuum, maleic acids with 1,2-bis(4-pyridyl)ethylene and acridine are salts, 2-hydroxybenzoic acid and acridine is a salt, and the complex of 3,5-dinitrobenzoic acid and 3-hydroxypyridine is a salt and salt-cocrystal continuum, while fumaric acids with 1,2-bis(4-pyridyl)ethylene and acridine are cocrystals. Furthermore, three new acidbase complexes of 3,5-dinitrobenzoic acid with phenazine, 4-hydroxypyridine, and 4-cyanopyridine were studied initially by XPS and then confirmed by X-ray diffraction. In summary, since the N 1s binding energies cluster in a narrow range as cocrystals (398.7-398.9 eV) and salts (400.1-401.1 eV), it is clearly possible to differentiate between cocrystals and salts, but the saltcocrystal continuum values in XPS spectra are clustered in an intermediate range of cocrystals and salts but overlap with those of cocrystal or salt binding energies.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.0c00661}, author = {Tothadi, Srinu and Shaikh, Tabrez Rafique and Gupta, Sharad and Dandela, Rambabu and Vinod, Chathakudath P. and Nangia, Ashwini K.} } @article {47645, title = {Carbazole substituted amidinato silylene: synthesis, bonding, and coordination behavior with coinage metals}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {SEP}, pages = {3201-3210}, type = {Article}, abstract = {In this work, the synthesis and characterization of a new carbazole substituted amidinatosilylene (1) and its coinage metal complexes 3-8 are being reported. Before the complexation reactions, we prepared [PhC(N+Bu)(2)Si(Cbz)-> Co(CO)Cp] complex (2) to estimate the sigma-donating strength of the newly synthesized silylene 1. Further, several commonly available coinage metal salts were utilized for the complexation reactions with 1, which afforded complexes 3-8. The solid-state structures of 1-8 have been validated by single-crystal X-ray diffraction studies, NMR spectroscopy, and mass spectroscopy. DFT studies were also performed to understand the bonding scenario of 1 and 3-7. Of note, 1 consists of a HOMO on its carbazolide moiety, and the HOMO-1 features the silylene character. We also compared the HOMO-LUMO gap of 1 with other amidinato silylenes having different N-substitutions.}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00399}, author = {Ghosh, Moushakhi and Tothadi, Srinu and Khan, Shabana} } @article {47582, title = {Catalytic applications of hydrotalcite and related materials in multi -component reactions: concepts, challenges and future scope}, journal = {Sustainable Chemistry and Pharmacy}, volume = {22}, year = {2021}, month = {SEP}, pages = {100458}, type = {Article}, abstract = {Hydrotalcites (HTs) are the potential substitute to conventional base catalysts. HTs are useful in efficient syntheses of various heterocycles, such as chromenes, pyrans, pyrazoles, triazoles, using multi-component reactions. This review focuses on the chemistry of HTs and particularly hydrotalcites and related materials in the synthesis of heterocycles. The effects of preparation method and, physico-chemical parameters, such as calcination, molar ratio of metals, role of intercalated ions, surface area, on the catalytic activities are discussed. Along with technical aspects, this review also unlocks various untouched areas in developing sustainable catalyst for syntheses of heterocycles, drugs, etc. for the future.}, keywords = {green chemistry, green synthesis, heterocycles, heterogeneous catalysis, hydrotalcite, Metal Oxide}, doi = {10.1016/j.scp.2021.100458}, author = {Burange, Anand S. and Gopinath, Chinnakonda S.} } @article {47574, title = {Caveolin induced membrane curvature and lipid clustering: two sides of the same coin?}, journal = {Faraday Discussions}, volume = {232}, year = {2021}, month = {DEC}, pages = {218-235}, type = {Article}, abstract = {Caveolin-1 (cav-1) is a multi-domain membrane protein that is a key player in cell signaling, endocytosis and mechanoprotection. It is the principle component of cholesterol-rich caveolar domains and has been reported to induce membrane curvature. The molecular mechanisms underlying the interactions of cav-1 with complex membranes, leading to modulation of membrane topology and the formation of cholesterol-rich domains, remain elusive. In this study, we aim to understand the effect of lipid composition by analyzing the interactions of cav-1 with complex membrane bilayers comprised of about sixty lipid types. We have performed a series of coarse-grain molecular dynamics simulations using the Martini force-field with a cav-1 protein construct (residue 82-136) that includes the membrane binding domains and a palmitoyl tail. We observe that cav-1 induces curvature in this complex membrane, though it is restricted to a nanometer length scale. Concurrently, we observe a clustering of cholesterol, sphingolipids and other lipid molecules leading to the formation of nanodomains. Direct microsecond timescale interactions are observed for specific lipids such as cholesterol, phosphatidylserine and phosphatidylethanolamine lipid types. The results indicate that there is an interplay between membrane topology and lipid species. Our work is a step toward understanding how lipid composition and organization regulate the formation of caveolae, in the context of endocytosis and cell signaling.}, issn = {1359-6640}, doi = {10.1039/d0fd00062k}, author = {Prakash, Shikha and Krishna, Anjali and Sengupta, Durba} } @article {47431, title = {Caveolin mediated curvature and clustering: from simple to complex membrane}, journal = {Biophysical Journal}, volume = {120}, year = {2021}, month = {FEB }, pages = {232A-233A}, type = {Meeting Abstract}, issn = {0006-3495}, doi = {10.1016/j.bpj.2020.11.1542}, author = {Prakash, Shikha and Krishna, Anjali and Sengupta, Durba} } @article {47369, title = {Characterization of a novel nanocomposite film based on functionalized chitosan-Pt-Fe3O4 hybrid nanoparticles}, journal = {Nanomaterials}, volume = {11}, year = {2021}, month = {MAY}, pages = {1275}, type = {Article}, abstract = {
The development of organic-inorganic hybrids or nanocomposite films is increasingly becoming attractive in light of their emerging applications. This research focuses on the formation of a unique nanocomposite film with enhanced elasticity suitable for many biomedical applications. The physical property measurement system and transmission electron microscopy were used to analyze Pt-Fe3O4 hybrid nanoparticles. These nanohybrids exhibited magnetic effects. They were further exploited to prepare the nanocomposite films in conjunction with a chitosan-g-glycolic acid organic fraction. The nanocomposite films were then examined using standard techniques: thermogravimetric analysis, X-ray diffraction, Fourier transform infrared spectroscopy, and atomic force microscopy. Tensile strength testing demonstrated a significantly greater elastic strength of these nanocomposite films than pure chitosan films. The water absorption behavior of the nanocomposites was evaluated by measuring swelling degree. These nanocomposites were observed to have substantially improved physical properties. Such novel nanocomposites can be extended to various biomedical applications, which include drug delivery and tissue engineering.
}, keywords = {Chitosan, nanocomposite films, Pt-Fe3O4 hybrid nanoparticles, tensile strength testing, Thermogravimetric analysis}, doi = {10.3390/nano11051275}, author = {Kumari, Sangeeta and Singh, Raj Pal and Chavan, Nayaku N. and Sahi, Shivendra V. and Sharma, Nilesh} } @article {47045, title = {Chemistry, anti-diabetic activity and structural analysis of substituted dihydropyrimidine analogues}, journal = {Journal of Molecular Structure}, volume = {1227}, year = {2021}, month = {MAR }, pages = {129412}, type = {Article}, abstract = {
In an effort to identify an anti-diabetic agent, a series of methyl/ethyl 4-(hydroxyphenyl)-6-methyl-2-oxo/thioxo-1,2,3,4 tetrahydropyrimidine-5-carboxylate analogues (4a-h) have been synthesized, purified, and characterized by using Fourier-Transform Infrared Spectroscopy (FT-IR) and NMR (H-1 and C-13). The synthesized compounds were screened for anti-hyperglycemic activity using Streptozotocin (STZ) induced diabetic rat model. The anti-hyperglycemic activity of dihydropyrimidine (DHPM) compound is mainly analyzed with the variation of substituents present on the phenyl ring and urea/thiourea group on pharmacophoric features. Further, the crystal structure and supramolecular characteristics of two compounds 4c and 4f were analyzed through a single-crystal X-ray method and the Hirshfeld Surface Analysis, which shows hydrogen bonding through N-H center dot center dot center dot O and N-H center dot center dot center dot S interactions with the formation of ring motif in the crystal structure. It is interesting to note that among the title compounds, the 4a, 4e, 4f, and 4g significantly displayed a better hypoglycemic effect in vivo rat model study. (C) 2020 Elsevier B.V. All rights reserved.
}, keywords = {Dihydropyrimidine (DHPM), Hypoglycemia, Streptozotocin (STZ), Type-2 diabetes mellitus (T2DM)}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2020.129412}, author = {Bairagi, Keshab M. and Younis, Nancy Safwat and Emeka, Promise Madu and Venugopala, Katharigatta N. and Alwassil, I, Osama and Khalil, Hany Ezzat and Sangtani, Ekta and Gonnade, Rajesh G. and Mohanlall, Viresh and Nayak, Susanta K.} } @article {47373, title = {Chronic systemic exposure to IL6 leads to deregulation of glycolysis and fat accumulation in the zebrafish liver}, journal = {Biochimica ET Biophysica Acta-Molecular and Cell Biology of Lipids}, volume = {1866}, year = {2021}, month = {MAY}, pages = {158905}, type = {Article}, abstract = {
Inflammation is a constant in Non-Alcoholic Fatty Liver Disease (NAFLD), although their relationship is unclear. In a transgenic zebrafish system with chronic systemic overexpression of human IL6 (IL6-OE) we show that inflammation can cause intra-hepatic accumulation of triglycerides. Transcriptomics and proteomics analysis of the IL6-OE liver revealed a deregulation of glycolysis/gluconeogenesis pathway, especially a striking down regulation of the glycolytic enzyme aldolase b. Metabolomics analysis by mass spectrometry showed accumulation of hexose monophosphates and their derivatives, which can act as precursors for triglyceride synthesis. Our results suggest that IL6-driven repression of glycolysis/gluconeogenesis, specifically aldolase b, may be a novel mechanism for fatty liver. This mechanism may be relevant for NAFLD in lean individuals, an emerging class of NAFLD prevalent more in Asian Indian populations.
}, keywords = {Aldolase b, DHAP, Inflammation, Interleukin 6, Lean NAFLD, Non-alcoholic fatty liver}, issn = {1388-1981}, doi = {10.1016/j.bbalip.2021.158905}, author = {Singh, Manoj K. and Jayarajan, Rijith and Varshney, Swati and Upadrasta, Sindhuri and Singh, Archana and Yadav, Rajni and Scaria, Vinod and Sengupta, Shantanu and Shanmugam, Dhanasekaran and Shalimar and Sivasubbu, Sridhar and Gandotra, Sheetal and Sachidanandan, Chetana} } @article {47590, title = {Cloning and expression of antibody fragment (Fab) I: effect of expression construct and induction strategies on light and heavy chain gene expression}, journal = {Biochemical Engineering Journal}, volume = {176}, year = {2021}, month = {DEC}, pages = {108189}, type = {Article}, abstract = {Dual promoter expression constructs offer time and cost-effective alternatives to produce multi-domain proteins like antibody fragments. This investigation is focused on understanding the effect of expression construct (dual promoter vs. co-transformation strategy), codon optimization, and induction strategies on yield and expression stoichiometry of LC and HC genes of antibody fragment at shake-flask and bioreactor scale. rHu biosimilar Ranibizumab was selected as a model protein for the study. Expression stoichiometry of HC and LC gene at mRNA level was studied using RTqPCR, whereas protein expression level was studied quantitatively using RP-HPLC and SDS-PAGE analysis. In the case of dual promoter expression construct, it was observed that LC gene cloned in the MCS1 of the duet vectors has > 2-fold expression than the HC gene, cloned in the MCS2. Transcript abundance profile of the HC and LC genes determined at different time intervals post-induction shows a difference in the gene expression at the transcriptional level. Comparative analysis of dual promoter and co-transformation strategy shows better stoichiometry in co-transformation (1:1.3), whereas higher protein yield in a dual expression system (>2.4 fold). The use of lactose and galactose as inducers show higher Fab yield of 2.30 +/- 0.03 g/L and 2.81 +/- 0.06 g/L with expression stoichiometry of 1:1.9 and 1:2 (HC: LC) respectively than IPTG-based induction with a protein yield of 1.40 +/- 0.02 g/L.}, keywords = {Dual promoter vector, Expression stoichiometry, High cell density fermentation, rHu biosimilar Ranibizumab, Transcript abundance}, issn = {1369-703X}, doi = {10.1016/j.bej.2021.108189}, author = {Mehta, Deepa and Chirmade, Tejas and Tungekar, Aatir A. and Gani, Kayanat and Bhambure, Rahul} } @article {47796, title = {Cobalt recovery from spent Li-ion batteries using lactic acid as dissolution agent}, journal = {Cleaner Engineering and Technology}, volume = {3}, year = {2021}, month = {JUL}, pages = {100122}, type = {Article}, abstract = {The effective recovery of cobalt from spent cathode materials is a critical issue and becomes a necessary assignment for the waste treatment of spent lithium-ion batteries (LIBs) in concern with waste to wealth. The dissolution process encompasses an organic acid leaching followed by recovery of pure Co oxalate. The use of lactic acid effectively improves the leaching of spent LiCoO2 materials with ascorbic acid. The leaching efficiencies of 99\% for Li and 98\% for Co were achieved under the optimal condition of 0.5~mol/L lactic acid and 0.02~mol/L ascorbic acid, solid/liquid ratio of 2~g/L, leaching time of 360~min and temperature of 90~{\textdegree}C. Based on the kinetic analysis, the enhancement leaching process is mainly on the concentration of dissolution reagent. Compared to other organic acids used previously, lactic acid showed better dissolution behavior.}, keywords = {Cathode recycling, Kinetic analysis, Lactic acid, Spent Li-ion batteries}, issn = {2666-7908}, doi = {10.1016/j.clet.2021.100122}, author = {G. Santhosh and G.P. Nayaka} } @article {47598, title = {Co-decorated tellurium nanotubes for energy storage applications}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {SEP}, pages = {9008-9021}, type = {Article}, abstract = {This paper explicitly discusses the synthesis of Co-decorated Te nanotubes (NTs) using Te NTs as the sacrificial template and the evaluation of their electrochemical performance. First, one-dimensional (1D) Te NTs were synthesized and characterized by spectroscopic and microscopic tools such as UV-visible spectroscopy, X-ray diffraction spectroscopy, X-ray photoelectron spectroscopy, field-emission scanning electron microscopy, high-resolution transmission electron microscopy, and energy-dispersive X-ray spectroscopy analyses. The as-prepared hexagonal Te NTs (h-Te NTs) possess diameters of about 35 +/- 5 nm and lengths of about 500 +/- 50 nm and were used for the synthesis of Co-decorated Te NTs. The 1D nanostructure with excellent conductivity enables the material to show excellent electrochemical performance. The asymmetric assembly of the CoTe-2//AC electrode material displayed a high specific capacitance of 147 F g(-1) (specific capacity, 162 C g(-1) at a current density of 2 A g(-1) in 4 M KOH electrolyte. In addition to that, the assembly of CoTe-2//AC achieved an excellent energy density of 51.1 W h kg(-1) at a power density of 2294 W kg(-1) and confirmed the as-synthesized Co-decorated Te NTs to be an excellent electrode material.}, keywords = {cobalt, nanotubes, pseudocapacitors, surfactant, Tellurium, template}, doi = {10.1021/acsanm.1c01613}, author = {Bhol, Prangya and Swain, Swarnalata and Jena, Satyaranjan and Bhatte, Kushal and Rout, Chandra Sekhar and Saxena, Manav and Jadhav, Arvind H. and Samal, Akshaya K.} } @article {47712, title = {Colchicine induces tetraploids in in vitro cultures of digitalis lanata Ehrh.: enhanced production of biomass and cardiac glycosides}, journal = {Industrial Crops and Products}, volume = {174}, year = {2021}, month = {DEC}, pages = {114167}, type = {Article}, abstract = {This study describes a promising method for tetraploidy induction in the in vitro grown diploid shoots of the cardiotonic herb Digitalis lanata by colchicine treatment to obtain a higher content of the cardiac glycosides{\textquoteright} digoxin and digitoxin. The best frequency of tetraploids (33 \%) induction was observed with 0.5 \% colchicine treatment for 8 h. The content of digoxin and digitoxin in the tetraploids increased by 1.61-fold and 1.73-fold over the control diploids respectively. The higher cardiotonic glycoside production in the tetraploid plants of D. lanata have the potential to satisfy the increasing demand of superior plant material for pharmaceutical industries.}, keywords = {Cardiac glycosides, Colchicine induced polyploidy, Digitalis lanata, Digitoxin, Digoxin}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2021.114167}, author = {Bhusare, B. P. and John, C. K. and Bhatt, V. P. and Nikam, T. D.} } @article {47081, title = {Cold active lipases: biocatalytic tools for greener technology}, journal = {Applied Biochemistry and Biotechnology}, volume = {193}, year = {2021}, month = {JUL}, pages = {2245-2266}, type = {Review}, abstract = {
Lipases are enzymes that catalyze the ester bond hydrolysis in triglycerides with the release of fatty acids, mono- and diglycerides, and glycerol. The microbial lipases account for \$400 million market size in 2017 and it is expected to reach \$590 million by 2023. Many biotechnological processes are expedited at high temperatures and hence much research is dealt with thermostable enzymes. Cold active lipases are now gaining importance in the detergent, synthesis of chiral intermediates and frail/fragile compounds, and food and pharmaceutical industries. In addition, they consume less energy since they are active at low temperatures. These cold active lipases have not been commercially exploited so far compared to mesophilic and thermophilc lipases. Cold active lipases are distributed in microbes found at low temperatures. Only a few microbes were studied for the production of these enzymes. These cold-adapted enzymes show increased flexibility of their structures in response to freezing effect of the cold habitats. This review presents an update on cold-active lipases from microbial sources along with some structural features justifying high enzyme activity at low temperature. In addition, recent achievements on their use in various industries will also be discussed.
}, keywords = {Cold active lipases, Frail compounds, Psychrophilic microbes, Synthesis of chiral molecules}, issn = {0273-2289}, doi = {10.1007/s12010-021-03516-w, Early Access Date = FEB 2021}, author = {Mhetras, Nutan and Mapare, Vidhyashri and Gokhale, Digambar} } @article {47387, title = {Colloidal assembly by directional ice templating}, journal = {Soft Matter }, volume = {17}, year = {2021}, month = {APR }, pages = {4098-4108}, type = {Article}, abstract = {
We investigate directional ice templating of dilute aqueous colloidal particle dispersions and examine the nature of the assemblies that result. We coat micron-size polystyrene colloids with cross-linkable polymer (polyethyleneimine, PEI), add cross-linker, and subject this dispersion to unidirectional freezing. We work at sufficiently low colloid concentrations, such that the particles do not percolate on freezing. When the aqueous dispersion freezes, ice crystals force polymer-coated particles and cross-linker into close proximity. This results in the formation of cross-linked clusters of particles at ice crystal boundaries. We vary the particle volume fraction from phi similar to 2.5 x 10(-3) to phi similar to 5.0 x 10(-2) and observe that there is a transition from isolated single particles to increasingly large sized clusters. Most of the clusters formed under these conditions are either linear, two-particle wide chains, or sheet-like aggregates. The probability (P-n) of clusters containing n particles (n \> 2) obeys a power law P-n similar to n(-eta), where eta strongly depends on the particle concentration in the dispersion, varying from 2.10 (for phi similar to 5.0 x 10(-2)) to 3.03 (for phi similar to 2.5 x 10(-3)). This change in eta is qualitatively different from the case of isotropic freezing, where eta is particle concentration-independent and depends only on the ice nucleation density. To understand the differences between isotropic and directional ice templating, we performed lattice simulations of a highly simplified model, where ice crystals grow at a constant rate to force clustering. We ignore hydrodynamic interactions and ice growth instabilities. Despite ignoring these experimental details, the simulations capture the experimental results, nearly quantitatively. As the ice crystals grow and the space available to the colloids {\textquoteleft}{\textquoteleft}closes up{\textquoteright}{\textquoteright} so that the particles cluster to form aggregates, crystallization protocol-induced differences in the geometry of these {\textquoteleft}{\textquoteleft}closed up{\textquoteright}{\textquoteright} spaces determine the scaling behaviour of P-n.
}, issn = {1744-683X}, doi = {10.1039/d0sm02057e}, author = {Biswas, Bipul and Misra, Mayank and Bisht, Anil Singh and Kumar, Sanat K. and Kumaraswamy, Guruswamy} } @article {47444, title = {Combating multi-drug resistant malaria parasite by inhibiting falcipain-2 and heme-polymerization: Artemisinin-peptidyl vinyl phosphonate hybrid molecules as new antimalarials}, journal = {European Journal of Medicinal Chemistry}, volume = {220}, year = {2021}, month = {AUG}, pages = {113454}, type = {Article}, abstract = {
Artemisinin-based combination therapies (ACTs) have been able to reduce the clinical and pathological malaria cases in endemic areas around the globe. However, recent reports have shown a progressive decline in malaria parasite clearance in South-east Asia after ACT treatment, thus envisaging a need for new artemisinin (ART) derivatives and combinations. To address the emergence of drug resistance to current antimalarials, here we report the synthesis of artemisinin-peptidyl vinyl phosphonate hybrid molecules that show superior efficacy than artemisinin alone against chloroquine-resistant as well as multidrug-resistant Plasmodium falciparum strains with EC50\ in pico-molar ranges. Further, the compounds effectively inhibited the survival of ring-stage parasite for laboratory-adapted artemisinin-resistant parasite lines as compared to artemisinin. These hybrid molecules showed complete parasite clearance in vivo using P. berghei mouse malaria model in comparison to artemisinin alone. Studies on the mode of action of hybrid molecules suggested that these artemisinin-peptidyl vinyl phosphonate hybrid molecules possessed dual activities: inhibited falcipain-2 (FP-2) activity, a P. falciparum cysteine protease involved in hemoglobin degradation, and also blocked the hemozoin formation in the food-vacuole, a step earlier shown to be blocked by artemisinin. Since these hybrid molecules blocked multiple steps of a pathway and showed synergistic efficacies, we believe that these lead compounds can be developed as effective antimalarials to prevent the spread of resistance to current antimalarials.
}, doi = {10.1016/j.ejmech.2021.113454}, author = {Aratikatla, Eswar K. and Kalamuddin, Md and Rana, Kalpeshkumar C. and Datta, Gaurav and Asad, Mohd and Sundararaman, Srividhya and Malhotra, Pawan and Mohmmed, Asif and Bhattacharya, Asish K.} } @article {47449, title = {Comparison of glycoprofiles of rituximab versions licensed for sale in India and an analytical approach for quality assessment}, journal = {Journal of Proteomics }, volume = {244}, year = {2021}, month = {JUL}, pages = {104267}, type = {Article}, abstract = {
Glycosylation affects clinical efficacy and safety; therefore, is a critical quality attribute of therapeutic monoclonal antibodies. Glycans are often labile and complex in patterns, giving rise to macro- and micro-heterogeneity. Recombinant production, diverse geographical locations, associated transportation and storage conditions further compound the problem. Two-way studies comparing glycoprofile of the originator and its given biosimilar are aplenty. However, the extent of analytical variation and similarity in glycoprofile across all approved versions of a drug is hardly explored. Using UHPLC and mass spectrometry, we compared the glycoprofiles of eight rituximab drug samples licensed for sale in India. While the types of glycans were found identical, the abundance of some glycans varied significantly within the tested population. The quality range of glycosylation parameters of the tested sample population differed significantly from the previously established values for US/EU licensed rituximab. As the mean abundance of the 90\% of identified glycans falls within {\textpm}3SD, the extent of mutual variations amongst tested lots is less significant compared to the extreme deviation from previously established QR limits. Thus, we propose this approach as an orthogonal method to capture glycan variations in licensed versions of mAbs for quality surveillance and in cases where originator samples{\textquoteright} are limiting. SIGNIFICANCE: As fluctuation in glycosylation may be of clinical significance, we identify that a one-to-one comparison with originator alone is insufficient in sensing the extent of variations in glycosylation parameters in licensed biosimilars of a given therapeutic mAb. Here we propose that future biosimilarity analysis may include an orthogonal approach of generating an additional combined QR range representing variations across the originator and its biosimilars. The glycosylation profiles of eight rituximab drug samples of different make obtained from the point of sale in India were found identical amongst the tested rituximab versions. However, the QR limits corresponding to important glycosylation parameters differed significantly across all tested samples from the previously established QR limits of US- and EU-licensed rituximab in statistical terms. Such an approach may be useful in defining the true range of glycan variations in licensed versions of therapeutic mAbs.
}, doi = {10.1016/j.jprot.2021.104267}, author = {Kaur, Tejinder and Shukla, Bhupendra Nath and Yadav, Vinay Kumar and Kulkarni, Mahesh J. and Rao, Alka} } @article {47772, title = {Comprehensive tutorial on the pulsed laser deposition technique and developments in the fabrication of low dimensional systems and nanostructures}, journal = {Emergent Materials}, volume = {4}, year = {2021}, month = {JAN}, pages = {737{\textendash}754}, type = {Article}, abstract = {Pulsed laser deposition (PLD) is a simple and extremely versatile technique to grow thin films and nanomaterials of a wide variety of materials. PLD allows the deposition of profoundly different materials, including high-temperature superconductors, oxides, nitrides, carbides, semiconductors, metals, and even polymers or fullerenes with high deposition rates. Growing thin films using PLD is now being used around the world for prototyping thin films of many inorganic materials and even in device fabrication protocols. This article covers the detailed development, versatility, and reliability of the ultraviolet (UV) excimer laser. It is envisioned that this review article is of interest for both the materials and chemical scientists engaged in more fundamental aspects of pulsed laser ablation and deposition. The present article highlights the historical developments of PLD technique, complete mechanism of thin film fabrication, optimization of the quality of thin films and the fabrication of thin films of the materials like ZnO, Graphene, MoS2, and WS2 which are being explored for various potential applications.}, doi = {10.1007/s42247-020-00155-5}, author = {Masood, Khalid Bin and Kumar, Pushpendra and Malik, Mushtaq Ahmad and Singh, Jai} } @article {47608, title = {Computational insights into the role of external and local electric fields in macrocyclic chemical and biological systems}, journal = {ChemPhysChem}, volume = {22}, year = {2021}, month = {DEC}, pages = {2484-2492}, type = {Article}, abstract = {The investigation of the role of the electric field in systems of widespread interest employing computational techniques is an emerging area of research. The outcome of applying an oriented external electric field (OEEF) on the geometric and electronic properties of the chemically unique pi-conjugated cyclic carbon ring compounds has been explored with density functional theory (DFT). Distinct changes in the structural and electronic features of such ring compounds are observed upon the application of OEEFs. Importantly, the calculations indicate that a mixed aliphatic-aromatic conjugated ring converts from a singlet to a triplet after the application of an OEEF, suggesting potential applications in optoelectronics for such molecules, without the need for photochemically induced change in the spin state. Furthermore, the influence of built-in local electric fields (LEFs) present in naturally occurring macrocyclic systems such as valinomycin has also been explored. Static and ab initio molecular dynamics (AIMD) calculations indicate that LEFs are the primary driving factor in determining the energetically favoured position of counter anions such as chloride (Cl-) in the potassium (K+) and sodium (Na+) coordinated valinomycin macrocycle structures: they exist inside the cage in the case of K+ sequestration by valinomycin and outside for Na+. This divergence has been proposed to be the determining factor for the selectivity of the valinomycin macrocycle for binding a K+ cation over Na+.}, keywords = {counter anions, Density functional calculations, electric field, ion selectivity, macrocyclic systems}, issn = {1439-4235}, doi = {10.1002/cphc.202100581}, author = {Mukherjee, Anagh and Ghule, Siddharth and Vanka, Kumar} } @article {47383, title = {Concise/catalytic approach for the construction of the C14-C28 fragment of eribulin}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {MAY}, pages = {4542-4550}, type = {Article}, abstract = {
A simple approach for the synthesis of the C14-C28 fragment of eribulin has been developed by employing a one-pot gold-catalyzed alkynol cyclization/Kishi reduction to construct the 1,5-cis-tetrahydropyran unit and a cross-metathesis/Sharpless asymmetric dihydroxylation-cycloetherification to install the 1,4-trans-tetrahydrofuran ring. Use of easily accessible building blocks, ease of operation and catalytic transformations as key reactions for the construction of THF/THP units highlight the current approach.
}, issn = {1477-0520}, doi = {10.1039/d1ob00661d, Early Access Date = APR 2021}, author = {Senapati, Sibadatta and Ramana, V, Chepuri} } @article {47037, title = {Conductive interface promoted bifunctional oxygen reduction/evolution activity in an ultra-low precious metal based hybrid catalyst (vol 57, pg 1951, 2021)}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {MAR }, pages = {2824}, type = {Correction}, issn = {1359-7345}, doi = {10.1039/d1cc90088a}, author = {Sarkar, Shreya and Varghese, Merin and Vinod, C. P. and Peter, Sebastian C.} } @article {47060, title = {Conductive interface promoted bifunctional oxygen reduction/evolution activity in an ultra-low precious metal based hybrid catalyst}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {FEB}, pages = {1951-1954}, type = {Article}, abstract = {
Ultra low PtPd alloy deposited on Ni12P5 nanostructures (PtPd/Ni12P5) exhibited enhanced ORR activity (onset: 1.003 V and E-1/2:0.95 V) on par with commercial Pt/C and superior OER activity with 81\% reduction of the precious metal compared to the commercial catalyst.
}, issn = {1359-7345}, doi = {10.1039/d0cc08225b}, author = {Sarkar, Shreya and Varghese, Merin and Vinod, C. P. and Peter, Sebastian C.} } @article {47462, title = {Conformational plasticity and dynamic interactions of the N-terminal domain of the chemokine receptor CXCR1}, journal = {Plos Computational Biology}, volume = {17}, year = {2021}, month = {MAY}, type = {Article}, abstract = {
The dynamic interactions between G protein-coupled receptors (GPCRs) and their cognate protein partners are central to several cell signaling pathways. For example, the association of CXC chemokine receptor 1 (CXCR1) with its cognate chemokine, interleukin-8 (IL8 or CXCL8) initiates pathways leading to neutrophil-mediated immune responses. The N-terminal domain of chemokine receptors confers ligand selectivity, but unfortunately the conformational dynamics of this intrinsically disordered region remains unresolved. In this work, we have explored the interaction of CXCR1 with IL8 by microsecond time scale coarse-grain simulations, complemented by atomistic models and NMR chemical shift predictions. We show that the conformational plasticity of the apo-receptor N-terminal domain is restricted upon ligand binding, driving it to an open C-shaped conformation. Importantly, we corroborated the dynamic complex sampled in our simulations against chemical shift perturbations reported by previous NMR studies and show that the trends are similar. Our results indicate that chemical shift perturbation is often not a reporter of residue contacts in such dynamic associations. We believe our results represent a step forward in devising a strategy to understand intrinsically disordered regions in GPCRs and how they acquire functionally important conformational ensembles in dynamic protein-protein interfaces.
}, doi = {10.1371/journal.pcbi.1008593}, author = {Kharche, Shalmali and Joshi, Manali and Chattopadhyay, Amitabha and Sengupta, Durba} } @article {47043, title = {Connecting real glasses to mean-field models}, journal = {Journal of Chemical Physics}, volume = {154}, year = {2021}, month = {MAR}, pages = {094506}, type = {Article}, abstract = {
We propose a novel model for a glass-forming liquid, which allows us to switch in a continuous manner from a standard three-dimensional liquid to a fully connected mean-field model. This is achieved by introducing k additional particle-particle interactions, which thus augments the effective number of neighbors of each particle. Our computer simulations of this system show that the structure of the liquid does not change with the introduction of these pseudo-neighbors and by means of analytical calculations, and we determine the structural properties related to these additional neighbors. We show that the relaxation dynamics of the system slows down very quickly with the increase in k and that the onset and the mode-coupling temperatures increase. The systems with high values of k follow the mode-coupling theory power law behavior for a larger temperature range compared to the ones with lower values of k. The dynamic susceptibility indicates that the dynamic heterogeneity decreases with the increase in k, whereas the non-Gaussian parameter is independent of it. Thus, we conclude that with the increase in the number of pseudo-neighbors, the system becomes more mean-field-like. By comparing our results with previous studies on mean-field-like systems, we come to the conclusion that the details of how the mean-field limit is approached are important since they can lead to different dynamical behavior in this limit.
}, issn = {0021-9606}, doi = {10.1063/5.0038749}, author = {Nandi, Ujjwal Kumar and Kob, Walter and Bhattacharyya, Sarika Maitra} } @article {47500, title = {Conserved RNA binding activity of phosphatidyl inositol 5-phosphate 4-kinase (PIP4K2A)}, journal = {Frontiers in Molecular Biosciences}, volume = {8}, year = {2021}, month = {MAY}, pages = {631281}, type = {Article}, abstract = {Plasmodium falciparum is a causative agent for malaria and has a complex life cycle in human and mosquito hosts. During its life cycle, the malarial parasite Plasmodium goes through different asexual and sexual stages, in humans and mosquitoes. Expression of stage-specific proteins is important for successful completion of its life cycle and requires tight gene regulation. In the case of Plasmodium, due to relative paucity of the transcription factors, it is postulated that posttranscriptional regulation plays an important role in stage-specific gene expression. Translation repression of specific set of mRNA has been reported in gametocyte stages of the parasite. A conserved element present in the 3 {\textquoteleft} UTR of some of these transcripts was identified. Phosphatidylinositol 5-phosphate 4-kinase (PIP4K2A) was identified as the protein that associates with these RNA. We now show that the RNA binding activity of PIP4K2A is independent of its kinase activity. We also observe that PIP4K2A is imported into the parasite from the host on Plasmodium berghei and Toxoplasma gondii. The RNA binding activity of PIP4K2A seems to be conserved across species from Drosophila and C. elegans to humans, suggesting that the RNA binding activity of PIP4K may be important, and there may be host transcripts that may be regulated by PIP4K2A. These results identify a novel RNA binding role for PIP4K2A that may not only play a role in Plasmodium propagation but may also function in regulating gene expression in multicellular organisms.}, keywords = {malaria, posttranscriptional gene regulation, RNA-protein interaction, translation regulation}, doi = {10.3389/fmolb.2021.631281}, author = {Behari, Jatin and Borkar, Pranita and Vindu, Arya and Dandewad, Vishal and Upadrasta, Sindhuri and Shanmugam, Dhanasekaran and Seshadri, Vasudevan} } @article {47572, title = {Construction of beta-cyclodextrin linked glycidyl methacrylate polymers for stereoselective separation of chiral drug}, journal = {Journal of Polymer Research}, volume = {28}, year = {2021}, month = {AUG}, pages = {287}, type = {Article}, abstract = {In this present study, a series of cross-linked porous polymers based on Glycidyl Methacrylate (GMA) were synthesized by suspension polymerization using cyclohexanol and hexanol as pore generating solvents. beta-cyclodextrin (beta-CD) was covalently bonded to the polymers by using Hexamethylene Diisocyanate (HMDI) and Sebacoyl Chloride (SC) as spacer arms. The effects of matrix properties such as pore volume, type of crosslinker, and spacer on the loading of beta-cyclodextrin were investigated. The stereoselective binding of enantiomers of the anti-depressant drug citalopram was studied using beta-cyclodextrin loaded polymers under batch adsorption mode. The capacity factor and selectivity of isomers were investigated also. This study reveals that these beta-cyclodextrin bonded Glycidyl Methacrylate (GMA) polymers are potentially suitable for chromatographic separation of citalopram.}, keywords = {beta-cyclodextrin, Citalopram, Glycidyl Methacrylate (GMA) beads, HPLC etc, Stereoslelctivity}, issn = {1022-9760}, doi = {10.1007/s10965-021-02634-7}, author = {Wale, Apparav and Mulani, Khudbudin and Deshpande, Supriya and Rajan, C. R. and Ponrathnam, Surendra} } @article {47715, title = {Construction of IrO2@Mn3O4 core-shell heterostructured nanocomposites for high performance symmetric supercapacitor device}, journal = {Journal of Alloys and Compounds}, volume = {887}, year = {2021}, month = {DEC }, pages = {161328}, type = {Article}, abstract = {In the present work, we have designed and synthesized nanocomposite of IrO2@Mn3O4 with two-step simple and scalable chemical routes. In this route, nanofibers of IrO2 were synthesized by a single nozzle electrospinning technique onto which Mn3O4 was overlaid by a simple SILAR route. The ratio of Mn3O4 and IrO2 was varied by varying the SILAR cycles onto electrospun IrO2 thin film as 20, 40, 60, and 80 cycles. The structural, morphological, and energy storage performance of IrO2@Mn3O4 composite elec-trodes were investigated. A 2 V kinetic potential with a rectangular-shaped cyclic voltammogram was observed for the IrO2@Mn3O4 electrodes. Moreover, the specific capacitance of 1027 F/g at 1 mA/cm(2) was observed for the optimized electrode which is superior as compared with other electrodes. The opti-mized electrode showed better current and voltage than the individual compounds which might be due to the synergic effect of IrO2 and Mn3O4. Finally, a PVA-LiClO4 gel electrolyte-based solid-state IrO2@ Mn3O4//IrO2@Mn3O4 symmetric device was fabricated. The symmetric device possessed an energy density of 81 Wh/kg with a power delivery of 714 W/kg which was capable to light up a green LED. Hence, the 2D transition metal oxides laminated on 1D metal oxides with high conductivity can be promising electrodes for future research. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {And nanoflakes, Charge storage kinetics, Electrochemical properties, electrospinning, IrO2@Mn3O4 nanocomposite, nanofibers, SILAR}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.161328}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Shin, J. C. and Patil, P. S.} } @article {47631, title = {Construction of two-component chemically reactive supramolecular assemblies-acyl migration reactions in cocrystals of napthalene-2,3-diol and its diesters}, journal = {ChemPlusChem}, volume = {86}, year = {2021}, month = {AUG}, pages = {1128-1134}, type = {Article}, abstract = {Reactions in solids are of contemporary interest due to applications in pharmaceutical industries to environmental sustainability. Although several reactive crystals that support chemical reactions have been identified and characterized, the same cannot be said about reactive cocrystals. Earlier we correlated the facile acyl group transfer reactions in crystals with supramolecular parameters obtained from the crystal structures. The structure-reactivity correlation revealed the requirement of proper juxtaposition of electrophile (C=O) and the nucleophile (OH) with distance (similar to 3.2 angstrom) and angle (similar to 90 degrees) along the chain structure. The current article describes the preparation of cocrystals that are capable of supporting intermolecular acyl group transfer reactions in a group of structurally similar molecules. The cocrystals of naphthalene 2,3-diol and its corresponding diesters showed a facile solid state acyl transfer reaction, which has been well correlated with their crystal structures.}, keywords = {Acylation, domino reactions, intermolecular interactions, reaction in cocrystal, solid-state reactions, X-ray diffraction}, issn = {2192-6506}, doi = {10.1002/cplu.202100139}, author = {Bahadur, Vir and Gonnade, Rajesh G. and Tamboli, I. Majid and Krishnaswamy, Shobhana and Shashidhar, Mysore S.} } @article {47739, title = {Continuous citrate-capped gold nanoparticle synthesis in a two-phase flow reactor}, journal = {Journal of Flow Chemistry}, volume = {11}, year = {2021}, month = {SEP}, pages = {553-567}, type = {Article}, abstract = {A continuous manufacturing platform was developed for the synthesis of aqueous colloidal 10-20 nm gold nanoparticles (Au NPs) in a flow reactor using chloroauric acid, sodium citrate and citric acid at 95 degrees C and 2.3 bar(a) pressure. The use of a twophase flow system - using heptane as the continuous phase - prevented fouling on the reactor walls, while improving the residence time distribution. Continuous syntheses for up to 2 h demonstrated its potential application for continuous manufacturing, while live quality control was established using online UV-Vis photospectrometry that monitored the particle size and process yield. The synthesis was stable and reproducible over time for gold precursor concentration above 0.23 mM (after mixing), resulting in average particle size between 12 and 15 nm. A hydrophobic membrane separator provided successful separation of the aqueous and organic phases and collection of colloidal Au NPs in flow. Process yield increased at higher inlet flow rates (from 70\% to almost 100 \%), due to lower residence time of the colloidal solution in the separator resulting in less fouling in the PTFE membrane. This study addresses the challenges for the translation of the synthesis from batch to flow and provides tools for the development of a continuous manufacturing platform for gold nanoparticles.}, keywords = {Continuous manufacturing, Nanomaterials, Online analysis, phase separation, segmented flow}, issn = {2062-249X}, doi = {10.1007/s41981-021-00172-3}, author = {Damilos, Spyridon and Alissandratos, Ioannis and Panariello, Luca and Radhakrishnan, Anand N. P. and Cao, Enhong and Wu, Gaowei and Besenhard, Maximilian O. and Kulkarni, Amol A. and Makatsoris, Charalampos and Gavriilidis, Asterios} } @article {47039, title = {Controlled di-lithiation enabled synthesis of phosphine-sulfonamide ligands and implications in ethylene oligomerization}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {MAR }, pages = {3717-3723}, type = {Article}, abstract = {
Catalyst design for ethylene oligomerization has attracted significant interest. Herein, we report the synthesis of phosphine-sulfonamide-derived palladium complexes and examine their performance in ethylene oligomerization. Arresting a dilithiation intermediate of N-(2-bromophenyl)-4-methylbenzenesulfonamide (1) at -84 degrees C selectively produced N-(2-(bis(2-methoxyphenyl)phosphanyl)phenyl)-4-methylbenzenesulfonamide (L1A). However, the same reaction at -41 degrees C delivered a different ligand; 2-(bis(2-methoxyphenyl)phosphanyl)-4-methyl-N-phenylbenzenesulfonamide (L2A). The generality of our strategy has been demonstrated by preparing N-(2-(diphenylphosphanyl)phenyl)-4-methylbenzenesulfonamide (L1B) and 2-(diphenylphosphanyl)-4-methyl-N-phenylbenzenesulfonamide (L2B). Subsequently, L1A and L1B were treated with a palladium precursor to yield 5-membered complexes C1 and C2, respectively. In contrast, L2A upon treatment with palladium produced a 6-membered metal complex C3. Thus, a small library of 7 palladium complexes (C1-C7) were synthesized by varying the donor moiety (pyridine, DMSO, and acetonitrile). The identity of palladium complexes was unambiguously ascertained using a combination of spectroscopic and analytical methods, including single-crystal X-ray diffraction. The performance of the complexes C1-C7 was investigated in ethylene oligomerization and almost all of them were found to be active. The resultant ethylene oligomers were characterized using H-1 and C-13 NMR, MALDI-ToF-MS, and GPC. Detailed screening of reaction parameters revealed 100 degrees C and 40 bars ethylene to be optimal conditions. Complex C5 outperformed other complexes and produced ethylene oligomers with a molecular weight of 1000-1900 g mol(-1).
}, issn = {1477-9226}, doi = {10.1039/d1dt00093d}, author = {Mote, Nilesh R. and Gaikwad, Shahaji R. and Khopade, V, Kishor and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {46603, title = {Controlling draw resonance during extrusion film casting of nanoclay filled linear low-density polyethylene: an experimental study and numerical linear stability analysis}, journal = {Journal of Plastic Film \& Sheeting}, volume = {37}, year = {2021}, month = {JUL}, pages = {8756087920978443}, type = {Article}, abstract = {
Commercially important extrusion film casting (EFC) processes for manufacturing plastic films or sheets are hampered by several instabilities that severely limits their productivity. In this research we focussed on one important instability: the draw resonance that occurs during the EFC process mainly under extensional flow conditions. Draw resonance is the sustained periodic oscillations in the film dimensions, notably film width and thickness, when the process operates beyond a critical draw ratio (CDR). In this research our goal was to reduce this draw resonance instability by incorporating well dispersed nanoclay fillers in a base polymeric resin (such as a linear low density polyethylene - LLDPE) to determine how these nanocomposite (NC) formulations can prevent or reduce the draw resonance defect. EFC experiments were conducted on the base resin and on the NC formulations under non-isothermal conditions to determine the onset of the draw resonance experimentally. Conventional linear stability analysis was performed to determine the onset of the draw resonance defect numerically. Numerical predictions for the onset of draw resonance were in qualitative agreement with our experimental data. Our results showed that incorporating appropriate nanoclay concentrations in a base polymeric resin indeed enhanced the EFC process stability for those polymer formulations and thus can have important economic implications for processors.
}, keywords = {Draw resonance, extensional strain hardening, Extrusion, Film, hydrodynamic interactions, Nanoclay, Nanocomposites, Polyethylene, Rheology, stability}, issn = {8756-0879}, doi = {10.1177/8756087920978443}, author = {Rokade, Dhammaraj and Chougale, Sanket and Patil, Prashant and Bhattacharjee, Tanushree and Gawande, Dnyaneshwar and Pol, Harshawardhan and Dhadwal, Renu} } @article {47787, title = {Convenient and mild protocol for preparation of α {\textendash}trimethylsilyloxyphosphonates using sulfamic acid and their oxidation to α {\textendash} ketophosphonates in the presence of N-bromosuccinimide}, journal = {Arkivoc}, volume = {2021}, year = {2021}, month = {SEP}, type = {Article}, abstract = {A convenient and mild protocol was developed for the trimethylsilylation of α-hydroxyphosphonates using hexamethyldisilazane as the silylating agent in the presence of sulfamic acid (SA) as a heterogeneous solid acid catalyst in dichloromethane as the reaction medium. The utility of SA as the catalyst for deprotection of α-trimethylsilyloxyphosphonates to parent α-hydroxyphosphonates by making a switch to a protic solvent such as methanol was also demonstrated. Furthermore, the oxidation of α{\textendash}trimethylsilyloxyphosphonates to corresponding α{\textendash}ketophosphonates was achieved in excellent yields employing N-bromosuccinimide in the presence of catalytic quantity of AIBN.}, doi = {10.24820/ark.5550190.p011.603}, author = {Mitragotri, Satish and Kulkarni, Makarand and Desai, Uday and Wadagaonkar, Prakash} } @article {47356, title = {Convenient semihydrogenation of azoarenes to hydrazoarenes using H-2}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {JUN}, type = {Article}, abstract = {
The high atom-economical and eco-benign nature of hydrogenation reactions make them much more superior to conventional reduction and transfer hydrogenation. Herein, a convenient and highly selective hydrogenation reaction of azoarenes using molecular hydrogen to access diverse hydrazoarenes is reported. The present catalytic method is general and operationally simple, and it operates under exceedingly mild conditions (room temperature and 1 atm of hydrogen pressure). The reusability of catalysts used in this method is also successfully demonstrated.
}, issn = {1477-0520}, doi = {10.1039/d1ob00850a, Early Access Date = MAY 2021}, author = {Sahoo, Manoj K. and Sivakumar, Ganesan and Jadhav, Sanjay and Shaikh, Samrin and Balaraman, Ekambaram} } @article {47734, title = {Copolymers of bipyridinium and metal (Zn \& Ni) porphyrin derivatives; theoretical insights and electrochemical activity towards CO2}, journal = {RSC Advances}, volume = {11}, year = {2021}, month = {JUN}, pages = {19844-19855}, type = {Article}, abstract = {This study reports the electropolymerization of novel keto functionalized octaethyl metal porphyrins (Zn2+ and Ni2+) in the presence of 4,4 {\textquoteleft}-bipyridine (4,4 {\textquoteleft}-bpy) as a bridging nucleophile. The polymer films were characterized by electrochemical, spectroscopic (UV-Vis, XPS, FT-IR and Raman spectroscopy) and imaging (AFM and SEM) techniques. The absorption and electronic spectra confirm the presence of both porphyrin and 4,4 {\textquoteleft}-bipyridine units in the film. The surface morphology reveals homogeneous film deposition with average roughness values of approx. 8 nm. The theoretical studies performed offered insights into the interplay of different metal centres (Zn2+ and Ni2+) and the keto functionality of the porphyrin unit in the formation of copolymer films. The electrochemical interaction of polymer films with CO2 suggests a reversible trap and release of CO2 with low energy barriers for both the polymers.}, doi = {10.1039/d1ra01945g}, author = {Kochrekar, Sachin and Kalekar, Ajit and Mehta, Shweta and Damlin, Pia and Salomaki, Mikko and Granroth, Sari and Meltola, Niko and Joshi, Kavita and Kvarnstrom, Carita} } @article {47700, title = {Cotton fabric decorated with manganese oxide nanorods as a supercapacitive flexible electrode for wearable electronics}, journal = {Applied Surface Science}, volume = {568}, year = {2021}, month = {DEC 1}, pages = {150968}, type = {Article}, abstract = {We present the fabrication (using a hydrothermal process) and the properties of wearable fabrics decorated with ultrathin manganese oxide (MnO2) nanorods for supercapacitor applications. The superior mechanical durability of the supercapacitor was confirmed by cyclic voltammetry (CV) curves, which showed little change during 1000 bending cycles. The pseudocapacitive properties of the ultrathin MnO2 nanorods were confirmed by recording the CV curves at various scan rates. The galvanostatic charge-discharge curves at various specific currents confirmed the pseudocapacitance of MnO2. The ultrathin MnO2 nanorods exhibited a superior capacitance of 508 F.g(-1) and an energy density of 35.3 Wh.kg(-1). The MnO2 electrode with optimal properties demonstrated stable long-term cycling performance with 90\% retention after 10,000 galvanostatic cycles.}, keywords = {Cotton fabric, Manganese oxide, Ultrafine nanostructures, Wearable supercapacitors}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.150968}, author = {Samuel, Edmund and Joshi, Bhavana and Kim, Yongil and Park, Chanwoo and Aldalbahi, Ali and El-Newehy, Mohamed and Lee, Hae-Seok and Yoon, Sam S.} } @article {47385, title = {Crack-free conjugated PbS quantum dot-hole transport layers for solar cells}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {APR}, pages = {4016-4025}, type = {Article}, abstract = {
Colloidal quantum dots (QDs) benefit from solution-phase processing and band-gap tuning for their application in solar cell development. Today{\textquoteright}s QD solar cells rely on solid-state ligand exchange (SLE) to replace bulky oleic acid (OA) ligands with small 1,2-ethanedithiol (EDT) ligands to develop a conducting hole transport layer (HTL). High volume contraction in EDT conjugated QD films, however, leads to crack and porosity in the HTL, which is a major cause of concern for the device reproducibility and large-area solar cell development. We show that partial removal of the OA ligands in the solution phase reduces the volume contraction in solid films, thereby allowing the growth of crack-free QD films in the SLE process. The cleaning of QDs by repeated precipitation and redispersion using a protic methanol (MeOH) solvent helps with partial removal of the OA ligands, but it is detrimental to the electronic properties of QDs. We develop a one-step solution-phase partial ligand-exchange process using ammonium salts, which enable partial replacement of the OA ligands and passivation of the QD surface. Introduction of the facile partial ligand-exchange process eliminates the need for tedious and wasteful multiple cleaning steps with MeOH, while improving the photophysical properties of QDs. The advancement in QD processing helps to build crack-free, smooth, and conjugated QD films for their deployment as HTLs in solar cell development. Partial ligand exchange with NH4SCN leads to a 1.5 times increase in p doping and mobility over multiple MeOH-cleaned PbS QD films. HTLs developed using NH4SCN QDs show an improved photovoltaic performance to attain a 10.5\% power conversion efficiency. Improvement in the depletion width and hole collection efficiency leads to a superior photovoltaic performance, as confirmed from experimental studies and one-dimensional solar cell capacitance simulation.
}, keywords = {Efficiency, ligand, polydispersity, quantum dot, solar cells, thin film}, issn = {2574-0970}, doi = {10.1021/acsanm.1c00373}, author = {Sharma, Ashish and Dambhare, V. Neha and Bera, Jayanta and Sahu, Satyajit and Rath, Arup K.} } @article {47667, title = {Crystal structure analysis of highly efficient chiral resolution of (RS)-arginine-fumaric acid cocrystal under preferential enrichment conditions}, journal = {Journal of Molecular Structure}, volume = {1245}, year = {2021}, month = {DEC }, pages = {131073}, type = {Article}, abstract = {Two new hydrate cocrystals, (RS)-arginine-fumaric acid-H2O ( 2 ) and (S)-arginine-2 fumaric acid-H2O ( 3 ), were obtained by the slow evaporation of the saturated aqueous ethanol solution of a 1:1 mixture of S-enriched arginine (33\% ee) and fumaric acid or (S)-arginine and fumaric acid, respectively. Cocrystals 2 and 3 possess an isostructural molecular organization containing homochiral 1D chains of arginine sim-ilar to that of the anhydrous cocrystal of (RS)-arginine-fumaric acid ( 1 ). The latter showed an efficient {\textquoteleft}{\textquoteleft}preferential enrichment (PE){\textquoteright}{\textquoteright}, a unique spontaneous enantiomeric resolution phenomenon by simple recrystallization from the highly supersaturated solution. The formation of unstable cocrystals 2 and 3 seems to have played a crucial role in the enrichment of arginine in the mother liquor under PE crystal-lization conditions. (c) 2021 Elsevier B.V. All rights reserved.}, keywords = {Arginine, cocrystals, crystal structure, Enantiomeric resolution, preferential enrichment}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2021.131073}, author = {Manoj, Kochunnoonny and Takahashi, Hiroki and Iwama, Sekai and Gonnade, G. Rajesh and Tsue, Hirohito and Tamura, Rui} } @article {47035, title = {CsPbBr3/Cs4PbBr6 perovskite@COF nanocomposites for visible-light-driven photocatalytic applications in water}, journal = {Journal of Materials Chemistry A}, volume = {9}, year = {2021}, month = {MAR}, pages = {6819-6826}, type = {Article}, abstract = {
For the first time, we have synthesized all-inorganic CsPbBr3/Cs4PbBr6 perovskite@COF nanocomposites under atmospheric conditions and tuned the crystal structures of the perovskite as well. The nanocomposite is reasonably stable and maintains its crystalline properties even when dipped into water for 60 minutes. The perovskite@COF nanocomposite shows efficient visible-light-driven photocatalytic performance to degrade Methyl orange (10 mL; 20-100 ppm). The rate of photodegradation was about 0.245 min(-1) with high catalytic activity and recyclability for three to six cycles.
}, issn = {2050-7488}, doi = {10.1039/d1ta00201e}, author = {Kour, Prachi and Mukherjee, Shatabdi Porel} } @article {47746, title = {CuO as a reactive and reusable reagent for the hydrogenation of nitroarenes}, journal = {Applied Catalysis B-Environmental}, volume = {297}, year = {2021}, month = {NOV}, pages = {120417}, type = {Article}, abstract = {{Copper oxide (CuO) is used as a reusable solid reagent for hydrogenation of nitroarenes to aminoarenes. The use of CuO resulted in 100 \% conversion of 2.9 mmol of nitrobenzene to aniline in 45 s at room temperature using hydrazine hydrate as the reducing agent. During the reaction, CuO is converted to inactive metallic Cu which can be regenerated to active CuO by thermal oxidation. DFT simulations indicated facile formation of oxygen vacancies (EO}, keywords = {Copper vacancy, CuO, Hydrogenation, Nitroarene reduction, Oxygen defects, Reactive solids}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2021.120417}, author = {Rajendran, K. and Pandurangan, N. and Vinod, C. P. and Khan, Tuhin S. and Gupta, Shelaka and Haider, M. Ali and Jagadeesan, D.} } @article {47421, title = {Curious case of aqueous warfarin: structural isomers or distinct excited states?}, journal = {Journal of Physical Chemistry B}, volume = {125}, year = {2021}, month = {MAR}, pages = {2871-2878}, type = {Article}, abstract = {
Warfarin is a potent anti-coagulant drug and is on the World Health Organization{\textquoteright}s List of Essential Medicines. Additionally, it displays fluorescence enhancement upon binding to human serum albumin, making warfarin a prototype fluorescent probe in biology. Despite its biological significance, the current structural assignment of warfarin in aqueous solution is based on indirect evidence in organic solvents. Warfarin is known to exist in different isomeric forms-open-chain, hemiketal, and anionic forms-based on the solvent and pH. Moreover, warfarin displays a dual absorption feature in several solvents, which has been employed to study the ring-chain isomerism between its open-chain and hemiketal isomers. In this study, our pH-dependent experiments on warfarin and structurally constrained warfarin derivatives in aqueous solution demonstrate that the structural assignment of warfarin solely on the basis of its absorption spectrum is erroneous. Using a combination of steady-state and time-resolved spectroscopic experiments, along with quantum chemical calculations, we assign the observed dual absorption to two distinct pi -\>pi* transitions in the 4-hydroxycoumarin moiety of warfarin. Furthermore, we unambiguously identify the isomeric form of warfarin that binds to human serum albumin in aqueous buffer.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c10824}, author = {Sakpal, Sushil S. and Ghosh, Deborin and Manae, Meghna A. and Hazra, Anirban and Bagchi, Sayan} } @article {47381, title = {D-A-D based complementary unsymmetrical squaraine dyes for co-sensitized solar cells: enhanced photocurrent generation and suppressed charge recombination processes by controlled aggregation}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {APR}, pages = {3182-3193}, type = {Article}, abstract = {
A series of donor-acceptor-donor (D-A-D) based unsymmetrical squaraine dyes have been synthesized with indoline and aniline as donor units. The sp(3)-C, N atoms of the indoline and N atom of the aniline donors are appended with alkyl groups systematically to control the self-assembly of dyes on TiO2 and to passivate the photoanode that helps in improving the open circuit voltage (V-oc) of the dye-sensitized solar cell (DSSC) device. The resulting dyes, AK1-4, possess strong absorptions between 529 and 541 nm with extinction coefficients of 1.44-1.84 X 10(5) M-1 cm(-1). Photophysical and electrochemical studies revealed that the lowest unoccupied molecular orbital and highest occupied molecular orbital of the dyes are aligned with the conduction band of TiO2 and the redox function of the electrolyte for the efficient charge injection and dye regeneration processes, respectively. A DSSC device performance for AK4 of 7.93\% (V-oc of 815.88 mV and short circuit current density (J(sc)) of 12.4 mA/cm(2)) is obtained, with an incident photon to current conversion efficiency (IPCE) response of 92\% at 473 nm and 86\% at 566 nm without sensitizing with coadsorbent. IPCE studies revealed the equal contribution for the photocurrent generation from the H-aggregated structures. Further, such a high V-oc and DSSC efficiency have been observed first time for this class of zwitterionic dyes with the I-/I-3(-) electrolyte without sensitizing with coadsorbent. The importance of introducing the alkyl groups at the indoline as well as aniline donor units for the synergistic boosting of both V-oc, and J(sc) is compared with the model dye AK1. Complementary light absorbing dyes SQ1 and SQS4 possess absorption at 643 nm with extinction coefficients of 1.4 and 3.0 x 10(5) M-1 cm(-1), respectively. A cosensitized device performance of 9.36\% is obtained for the AK4:SQS4 (1:1) combination in the I-/I-3(-) electrolyte. The IPCE profile indicates a good response over 450-700 nm with 94\% at 621 nm. The importance of aggregated structures from both the dyes AK4 and SQS4 for photocurrent generation is realized.
}, keywords = {aggregation of dyes, co-sensitization, extension of conjugation, H-aggregate, squaraine dyes}, issn = {2574-0962}, doi = {10.1021/acsaem.0c02966}, author = {Singh, Ambarish Kumar and Veetil, Athulya Nellur and Nithyanandhan, Jayaraj} } @article {47701, title = {DART: deep learning enabled topological interaction model for energy prediction of metal clusters and its application in identifying unique low energy isomers}, journal = {Physical Chemistry Chemical Physics}, volume = {23}, year = {2021}, month = {OCT }, pages = {21995-22003}, type = {Article}, abstract = {Recently, machine learning (ML) has proven to yield fast and accurate predictions of chemical properties to accelerate the discovery of novel molecules and materials. The majority of the work is on organic molecules, and much more work needs to be done for inorganic molecules, especially clusters. In the present work, we introduce a simple topological atomic descriptor called TAD, which encodes chemical environment information of each atom in the cluster. TAD is a simple and interpretable descriptor where each value represents the atom count in three shells. We also introduce the DART deep learning enabled topological interaction model, which uses TAD as a feature vector to predict energies of metal clusters, in our case gallium clusters with sizes ranging from 31 to 70 atoms. The DART model is designed based on the principle that the energy is a function of atomic interactions and allows us to model these complex atomic interactions to predict the energy. We further introduce a new dataset called GNC_31-70, which comprises structures and DFT optimized energies of gallium clusters with sizes ranging from 31 to 70 atoms. We show how DART can be used to accelerate the process of identification of low energy structures without geometry optimization. Albeit using a topological descriptor, DART achieves a mean absolute error (MAE) of 3.59 kcal mol(-1) (0.15 eV) on the test set. We also show that our model can distinguish core and surface atoms in the Ga-70 cluster, which the model has never encountered earlier. Finally, we demonstrate the transferability of the DART model by predicting energies for about 6k unseen configurations picked up from molecular dynamics (MD) data for three cluster sizes (46, 57, and 60) within seconds. The DART model was able to reduce the load on DFT optimizations while identifying unique low energy structures from MD data.}, issn = {1463-9076}, doi = {10.1039/d1cp02956h}, author = {Modee, Rohit and Agarwal, Sheena and Verma, Ashwini and Joshi, Kavita and Priyakumar, U. Deva} } @article {47678, title = {DBU/O-2-mediated oxidation of dienones}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {JUL }, pages = {9200-9205}, type = {Article}, abstract = {Herein, we describe a DBU/O-2-promoted novel method for oxidation of dienones to 2,6-dione derivatives. The reaction involves treatment of a dienone with DBU in acetonitrile employing molecular oxygen as the oxidant. Metal free conditions and an eco-friendly reagent are the striking features of this protocol. This transformation proceeds through a peroxide intermediate that upon Kornblum-DeLaMare rearrangement produces 2,6-diones. The method was successfully utilized for the synthesis of (+/-)-pleodendione with improved yields versus those of the traditional PDC-TBHP method.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00529}, author = {Athawale, Paresh R. and Kalmode, Hanuman P. and Reddy, D. Srinivasa} } @article {47044, title = {Deciphering the role of temperature in Li+ co-dopant occupancy in BaYF5:Yb3+,Er3+ up-converting nanocrystals and its structure-property relationship}, journal = {Journal of Chemical Physics}, volume = {154}, year = {2021}, month = {MAR }, pages = {094707}, type = {Article}, abstract = {
Precision engineering of defects in luminescent nanoscale crystalline materials with lesser controls to design is an area of interest in engineering materials with desired properties. Li+ co-doped BaYF5 nanocrystals were engineered, and temperature as controls for determining the co-dopant occupancies in the host lattice is studied. An observed enhancement in the up-conversion photoluminescence results from the co-dopant occupancy at Ba2+ sites via substitution through the hot injection method, whereas for samples prepared using co-precipitation, photoluminescence quenching was observed, which can be correlated with the Li+ occupancy at the interstitial site near Er3+ and also due to the incorporation of OH-. The crystal lattice deformation as a result of doping and the mechanism for the observed enhancement/quenching of luminescence are studied using x-ray diffraction, x-ray photoelectron spectroscopy, and energy transfer mechanism. Cytotoxicity assay and photoluminescence studies of the synthesized nanocrystals confirm that the material is biocompatible.
}, issn = {0021-9606}, doi = {10.1063/5.0033864}, author = {Devi, Suman and Luwang, Meitram Niraj} } @article {47741, title = {Density functional theory-based study of the magnetic and optical properties of PbMO3 (M = Cr, Fe) using the modified BeckeJohnson mBJ functional (vol 128, pg 275, 2019)}, journal = {Journal of Physics and Chemistry of Solids}, volume = {158}, year = {2021}, month = {NOV}, pages = {110225}, type = {Correction}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2021.110225}, author = {Mahmood, Q. and Hassan, M. and Bhamu, K. C. and Yaseen, M. and Ramay, S. M. and Mahmood, A.} } @article {47644, title = {Deoxygenative hydroboration of primary and secondary amides: a catalyst-free and solvent-free approach}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {OCT }, pages = {10596-10599}, type = {Article}, abstract = {In contrast to the recent reports on catalytic hydroboration of amides to amines with pinacolborane (HBpin), a simple catalyst-free and solvent-free method for the hydroboration of a variety of amides has been realized. To get the mechanistic insights, DFT calculations have been performed.}, issn = {1359-7345}, doi = {10.1039/d1cc04148g}, author = {Kumar, Rohit and Bisai, Milan Kumar and Jain, Shailja and Vanka, Kumar and Sen, Sakya S.} } @article {47591, title = {Design and scale-up of continuous di-nitration reaction using pinched tube flow reactor}, journal = {Journal of Flow Chemistry}, volume = {11}, year = {2021}, month = {SEP}, pages = {611-624}, type = {Article}, abstract = {Scale-up of the di-nitration reaction for synthesis of selective herbicide pendimethalin using only nitric acid in continuous flow is presented in this work. This work showcases an approach for smooth scale-up for an herbicide for a production capacity of 50 kg/day using a pinched tube reactor. The approach begins with the batch experiments followed by flow synthesis using a 1/8-inchSS316 helical coil tube where kinetics of the di-nitration was determined, and process optimization was done. Systematic approach was followed for quantification of heat transfer, mass transfer and residence time distribution and scale-up. Detailed scale-up methodology is presented with effect of relevant parameters for successful scale-up. Modular pilot plant with inline quenching, extraction and separation are some of the salient features presented in this work.}, keywords = {continuous flow, nitration, Pinched tube, RTD, scale-up}, issn = {2062-249X}, doi = {10.1007/s41981-021-00182-1}, author = {Hussain, Arshad and Sharma, Mrityunjay and Patil, Suneha and Acharya, Roopashree B. and Kute, Mahesh and Waghchaure, Aishwarya and Kulkarni, Amol A.} } @article {47087, title = {Design and synthesis of a new topical agent for halting blood loss rapidly: a multimodal chitosan-gelatin xerogel composite loaded with silica nanoparticles and calcium}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {198}, year = {2021}, month = {FEB}, pages = {111454}, type = {Article}, abstract = {
Uncontrolled hemorrhage often causes death during traumatic injuries and halting exsanguination topically is a challenge. Here, an efficient multimodal topical hemostat was developed by (i) ionically crosslinking chitosan and gelatin with sodium tripolyphosphate for (ii) fabricating a robust, highly porous xerogel by lyophilization having 86.7 \% porosity, by micro-CT and large pores similar to 30 mu m by SEM (iii) incorporating 0.5 mg synthesized silica nanoparticles (SiNPs, 120 nm size, -22 mV charge) and 2.5 mM calcium in xemgel composite that was confirmed by FTIR analysis with peaks at 3372, 986 and 788 cm(-1), respectively. XPS analysis displayed the presence of SiNPs (Si2p peak for silicon) and calcium (Ca2p1, Ca2p3 transition peaks) in the composite. Interestingly, in silico percolation simulation for composite revealed interlinked 800 mu m long-conduits predicting excellent absorption capacity and validated experimentally (640 \% of composite dry weight). The composite achieved \>16-fold improved blood clotting in vitro than commercial Celox and Gauze through multimodal interaction of its components with RBCs and platelets. The composite displayed good platelet activation and thrombin generation activities. It displayed high compressive strength (2.45 MPa) and withstood pressure during application. Moreover, xerogel composite showed high biocompatibility. In vivo application of xerogel composite to lethal femoral artery injury in rats achieved hemostasis (2.5 min) significantly faster than commercial Celox (3.3 min) and Gauze (4.6 min) and was easily removed from the wound. The gamma irradiated composite was stable till 1.5 yr. Therefore, the xerogel composite has potential for application as a rapid topical hemostatic agent.
}, keywords = {Hemostatic, Polymer, silica nanoparticles, Xerogel}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2020.111454}, author = {Patil, Gokul and Torris, Arun and Suresha, P. R. and Jadhav, Sachin and Badiger, V. Manohar and Ghormade, Vandana} } @article {47457, title = {Design, synthesis, and structural analysis of cladosporin-based inhibitors of malaria parasites}, journal = {ACS Infectious Diseases}, volume = {7}, year = {2021}, month = {JUL}, pages = {1777{\textendash}1794}, type = {Article}, abstract = {
Here we have described a systematic structure activity relationship (SAR) of a set of compounds inspired from cladosporin, a tool compound that targets parasite (Plasmodium falciparum) lysyl tRNA synthetase (KRS). Four sets of analogues, synthesized based on point changes in the chemical scaffold of cladosporin and other logical modifications and hybridizations, were assessed using high throughput enzymatic and parasitic assays along with\ in vitro\ pharmacokinetics. Co-crystallization of the most potent compound in our series (CL-2) with\ PfKRS revealed its structural basis of enzymatic binding and potency. Further, we report that\ CL-2\ has performed better than cladosporin in terms of metabolic stability. It thus represents a new lead for further optimization toward the development of antimalarial drugs. Collectively, along with a lead compound, the series offers insights on how even the slightest chemical modification might play an important role in enhancing or decreasing the potency of a chemical scaffold.
}, doi = {10.1021/acsinfecdis.1c00092}, author = {Babbar, Palak and Das, Pronay and Manickam, Yogavel and Mankad, Yash and Yadav, Swati and Parvez, Suhel and Sharma, Amit and Reddy, Srinivasa} } @article {47707, title = {Development of aerial and belowground tubers in potato is governed by photoperiod and epigenetic mechanism}, journal = {Plant Physiology}, volume = {187}, year = {2021}, month = {NOV}, pages = {1071-1086}, type = {Article}, abstract = {Plants exhibit diverse developmental plasticity and modulate growth responses under various environmental conditions. Potato (Solanum tuberosum), a modified stem and an important food crop, serves as a substantial portion of the world{\textquoteright}s subsistence food supply. In the past two decades, crucial molecular signals have been identified that govern the tuberization (potato development) mechanism. Interestingly, microRNA156 overexpression in potato provided the first evidence for induction of profuse aerial stolons and tubers from axillary meristems under short-day (SD) photoperiod. A similar phenotype was noticed for overexpression of epigenetic modifiers-MUTICOPY SUPRESSOR OF IRA1 (StMSI1) or ENAHNCER OF ZESTE 2 (StE[z]2), and knockdown of B-CELL-SPECIFIC MOLONEY MURINE LEUKEMIA VIRUS INTEGRATION SITE 1 (StBMI1). This striking phenotype represents a classic example of modulation of plant architecture and developmental plasticity. Differentiation of a stolon to a tuber or a shoot under in vitro or in vivo conditions symbolizes another example of organ-level plasticity and dual fate acquisition in potato. Stolon-to-tuber transition is governed by SD photoperiod, mobile RNAs/proteins, phytohormones, a plethora of small RNAs and their targets. Recent studies show that polycomb group proteins control microRNA156, phytohormone metabolism/transport/signaling and key tuberization genes through histone modifications to govern tuber development. Our comparative analysis of differentially expressed genes between the overexpression lines of StMSI1, StBEL5 (BEL1-LIKE transcription factor [TF]), and POTATO HOMEOBOX 15 TF revealed more than 1,000 common genes, indicative of a mutual gene regulatory network potentially involved in the formation of aerial and belowground tubers. In this review, in addition to key tuberization factors, we highlight the role of photoperiod and epigenetic mechanism that regulates the development of aerial and belowground tubers in potato.}, issn = {0032-0889}, doi = {10.1093/plphys/kiab409}, author = {Kondhare, Kirtikumar R. and Kumar, Amit and Patil, Nikita S. and Malankar, Nilam N. and Saha, Kishan and Banerjee, Anjan K.} } @article {47576, title = {Development of enhanced hypericin yielding transgenic plants and somaclones: high throughput direct organogenesis from leaf and callus explants of Hypericum perforatum (Retraction of Vol 111, Pg 544, 2018)}, journal = {Industrial Crops and Products}, volume = {171}, year = {2021}, month = {NOV }, pages = {113863}, type = {Retraction}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2021.113863}, author = {Khan, A. Shamshad and Verma, Priyanka and Arbat, Akshata and Gaikwad, Sushma and Parasharami, A. Varsha} } @article {47756, title = {Direct oxidation of cyclohexane to adipic acid by a WFeCoO(OH) catalyst: role of bronsted acidity and oxygen vacancies}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {SEP }, pages = {10754-10766}, type = {Article}, abstract = {This work reports the catalytic activity of the trimetallic mixed-metal oxyhydroxide WFeCoO(OH) for the direct oxidation of cyclohexane to adipic acid (AA) without the use of concentrated HNO3. WFeCoO(OH) displayed a 40\% conversion of cyclohexane and a 67\% selectivity to AA under relatively milder conditions of temperature (90 degrees C) and pressure (1 atm). Experimental evidence confirmed the presence of acidic, basic, and redox sites on WFeCoO(OH). The detailed investigation revealed that doping W in the Co-FeO(OH) matrix increased the amount of surface lattice oxygen (OS-L) and caused a significant surge in acidity (5.1 mmol/g). The calculated deprotonation energy of WFeCoO(OH) was 1434 kJ/mol, and the trend in acidity was WCoO(OH) < WFeCoO(OH) < FeCoO(OH) similar to CoO(OH). Energy calculations showed that WFeCoO(OH) had a high propensity to generate oxygen vacancies by the loss of either a water molecule or an oxygen atom (-132.2 or -140.9 kJ/mol, respectively). Basicity was generated due to the presence of conjugate pairs of the surface hydroxyl groups. The combined action of the trifunctional acidic, basic, and redox-active metal centers along with the oxygen vacancies was responsible for the enhanced catalytic performance.}, keywords = {Adipic Acid, deprotonation energy, metal oxyhydroxides, multifunctional catalysts, oxygen vacancies}, issn = {2155-5435}, doi = {10.1021/acscatal.1c01464}, author = {Vernekar, Dnyanesh and Dayyan, Mohammad and Ratha, Satyajit and Rode, V, Chandrashekhar and Haider, M. Ali and Khan, Tuhin Suvra and Jagadeesan, Dinesh} } @article {47410, title = {Direct synthesis of mesoporous siliceous phosphotungstic acid and its superior catalytic activity on the cyclohexylation of phenol}, journal = {Journal of Physical Chemistry C }, volume = {125}, year = {2021}, month = {APR }, pages = {6723-6734}, type = {Article}, abstract = {
The synthesis of highly active and reusable mesoporous siliceous phosphotungstic acid materials (mPTA-Si) which are prepared through a simple self-assembly between phosphotungstic acid (PTA), the polymeric surfactant, and the silica precursor assisted by KCl for cyclohexylation of phenol is reported. The surface area and the acidity of these materials are tuned with a simple adjustment of PTA in the silica framework. The prepared samples exhibit mesoporous structure with a high surface area, but the structure is collapsed when the loading of PTA is high. It is established that the Keggin structure of PTA is retained on the final mPTA-Si. mPTA-Si with different loadings of PTA are employed as the catalysts for the cyclohexylation of phenol under liquid phase conditions. Among the catalysts studied, 10.0-mPTA-8.3Si calcined at 350 degrees C is found to be highly active, selective, and recyclable and offers 100\% conversion of phenol with the highest selectivity for p-cyclohexylphenol (96.8\%).
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.1c01596}, author = {Ilbeygi, Hamid and Sawant, Dhanashri P. and Ruban, Sujanya M. and Reshma, Kokane S. and Umbarkar, Shubhangi B. and Halligudi, Shivappa B. and Vinu, Ajayan} } @article {47393, title = {Disordered but efficient: understanding the role of structure and composition of the Co-Pt alloy on the electrocatalytic methanol oxidation reaction}, journal = {Journal of Physical Chemistry C }, volume = {125}, year = {2021}, month = {APR }, pages = {7611-7624}, type = {Article}, abstract = {
A systematic investigation of the electrocatalytic Methanol Oxidation Reaction (MOR) was carried out using a model Co:Pt alloy system with different compositions and structural arrangements of the Co and Pt atoms. The structural variations with the same alloy composition included those with disordered arrangement of Co and Pt atoms in a face-centered cubic (fcc) lattice and ordered arrangements in face-centered tetragonal (fct) lattices. Our investigations clearly show that structures with disordered arrangements with Co:Pt atomic ratios near to 1:1 display better electrocatalytic efficiencies even when compared to pure Pt. These experimental findings were then rationalized by means of Density Functional Theory (DFT) calculations. Electronic level signatures in terms of charge transfer and relative shift in the peaks of the d band for surface metal atoms are proposed to be the reasons for the superior catalytic activity of a particular composition over the others. An increase in the number of inequivalent sites for methanol adsorption in disordered systems appears to result in better catalytic performance in comparison with ordered systems.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c10165}, author = {Dalavi, Shankar B. and Agarwal, Sheena and Deshpande, Pooja and Joshi, Kavita and Bhagavatula L. V. Prasad} } @article {47097, title = {Divergent approach to the synthesis of (-)-balanol heterocycle and cis-3-hydroxypipecolic acid based on chiral 2-aminoalkanol equivalent}, journal = {Tetrahedron}, volume = {80}, year = {2021}, month = {JAN}, pages = {131773}, type = {Article}, abstract = {
Enantioselective synthesis of the hexahydroazepine core of (-)-balanol and formal synthesis of cis-3hydroxypipecolic acid from a common intermediate have been accomplished by a divergent path. The common intermediate was accessed from a favorably protected enantiomerically pure 2-amino-1,3,4-butanetriol (ABT) equivalent via oxidation and Wittig olefination. The synthesis of (-)-balanol heterocycle featured tandem reduction/acetal-deprotection/gamma-lactonization reaction and a one-pot azide reduction followed by seven membered aza-heterocycle formation while the route to cis-3-hydroxypipecolic acid highlighted the base induced piperidine ring formation and regioselective benzylidine-acetal cleavage. (C) 2020 Elsevier Ltd. All rights reserved.
}, keywords = {Amino-alcohol, desymmetrization, Hexahydroazepine, Piperidine alkaloids, Protein kinase}, issn = {0040-4020}, doi = {10.1016/j.tet.2020.131773}, author = {Chavan, Subhash P. and Kalbhor, Dinesh B. and Gonnade, Rajesh G.} } @article {47422, title = {Diverse reactivity of carbenes and silylenes towards fluoropyridines}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {MAY }, pages = {4428-4431}, type = {Article}, abstract = {
The reaction of IDipp with C5F5N led to functionalization of all three carbon atoms of the imidazole ring with HF2- as the counter-anion (1). Reactivity with 2,3,5,6-tetrafluoropyridine gives only C-F bond activation leaving C-H bonds intact (5b). The reaction of SIDipp with C5F5N in the presence of BF3 afforded the ring cleavage product (3). Analogous reactions with silylene led to oxidative addition at the Si(II) center.
}, issn = {1359-7345}, doi = {10.1039/d1cc01401c, Early Access Date = MAR 2021}, author = {Kundu, Gargi and Ajithkumar, V. S. and Bisai, Milan Kumar and Tothadi, Srinu and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47086, title = {Diverse reactivity of hypersilylsilylene with boranes and threecomponent reactions with aldehyde and HBpin}, journal = {Inorganic Chemistry}, volume = {60}, year = {2021}, month = {FEB }, pages = {1654-1663}, type = {Article}, abstract = {
The recently reported hypersilylsilylene PhC-(NtBu)(2)SiSi(SiMe3)(3) (1) reacts with BH3, 9-BBN, and PhBCl2 to yield the respective Lewis acid base adducts 2-4, respectively. Compound 4 undergoes isomerization to form a ring expansion product 5. The same silylene was found to initially form an adduct with HBpin (6) and subsequently isomerized to 7 via the rupture of the B-H bond of HBpin (7), where the hydride was bound to the carbon atom of the amidinate ligand and the Bpin unit was attached to the silicon center. Surprisingly, the reaction of 1 with HBcat results in PhC(NtBu)(2)Bcat (8). Subsequently, we have shown that HBcat forms the same product when it reacts with related silylene PhC(NtBu)(2)SiN(SiMe3)(3) (1{\textquoteright}). With all of these reactions in hand, we ponder if silylene can activate two small molecules at one time. In this work, we delineate the three-component reactions of silylenes 1 and 1{\textquoteright} with 4-fluorobenzaldehyde and HBpin, which afforded unusual coupling products, 9 and 10, respectively. Note that 9 and 10 were prepared from the cleavage of the B-H and C=O bonds by silylene in a single reaction and are the first structurally attested Si-C-O-B coupled products.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.0c03137}, author = {Bisai, Milan Kumar and Swamy, V. S. V. S. N. and Raj, K. Vipin and Vanka, Kumar and Sen, Sakya S.} } @article {47379, title = {Diverse reactivity of NOBF4 towards silylene, disilene, germylene and stannylene}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {MAY}, pages = {5008-5011}, type = {Article}, abstract = {
{The reactivity of NOBF4 towards silylene, disilene, germylene, stannylenes has been described. Smooth syntheses of compounds of composition [PhC(NtBu)(2)E(= O -\> BF3)N(SiMe3)(2)
}, issn = {1359-7345}, doi = {10.1039/d1cc01034d, Early Access Date = APR 2021}, author = {Parvin, Nasrina and Sen, Nilanjana and Muhasina, Puthan Veetil and Tothadi, Srinu and Parameswaran, Pattiyil and Khan, Shabana} } @article {47499, title = {Diversity in chemical structures and biological properties of plant alkaloids}, journal = {Molecules}, volume = {26}, year = {2021}, month = {JUN}, pages = {3374}, type = {Review}, abstract = {Phytochemicals belonging to the group of alkaloids are signature specialized metabolites endowed with countless biological activities. Plants are armored with these naturally produced nitrogenous compounds to combat numerous challenging environmental stress conditions. Traditional and modern healthcare systems have harnessed the potential of these organic compounds for the treatment of many ailments. Various chemical entities (functional groups) attached to the central moiety are responsible for their diverse range of biological properties. The development of the characterization of these plant metabolites and the enzymes involved in their biosynthesis is of an utmost priority to deliver enhanced advantages in terms of biological properties and productivity. Further, the incorporation of whole/partial metabolic pathways in the heterologous system and/or the overexpression of biosynthetic steps in homologous systems have both become alternative and lucrative methods over chemical synthesis in recent times. Moreover, in-depth research on alkaloid biosynthetic pathways has revealed numerous chemical modifications that occur during alkaloidal conversions. These chemical reactions involve glycosylation, acylation, reduction, oxidation, and methylation steps, and they are usually responsible for conferring the biological activities possessed by alkaloids. In this review, we aim to discuss the alkaloidal group of plant specialized metabolites and their brief classification covering major categories. We also emphasize the diversity in the basic structures of plant alkaloids arising through enzymatically catalyzed structural modifications in certain plant species, as well as their emerging diverse biological activities. The role of alkaloids in plant defense and their mechanisms of action are also briefly discussed. Moreover, the commercial utilization of plant alkaloids in the marketplace displaying various applications has been enumerated.}, keywords = {alkaloid, Biological activity, classification, defense, Enzyme, modification}, doi = {10.3390/molecules26113374}, author = {Bhambhani, Sweta and Kondhare, Kirtikumar R. and Giri, Ashok P.} } @article {47085, title = {Dual-catalyst engineered porous organic framework for visible-light triggered, metal-free and aerobic sp(3) C-H activation in highly synergistic and recyclable fashion}, journal = {Journal of Catalysis}, volume = {394}, year = {2021}, month = {FEB}, pages = {40-49}, type = {Article}, abstract = {
Photoredox and organo-catalysis denote powerful construction tools for new classes of carbon-carbon bonds, where incisive amalgamation of both the approaches over a single, recyclable platform can bring about synergic and eco-friendly reactions under mild conditions. Aiming at enamine-based photoredox catalysis for atom-economic and metal-free sp(3 )C-H activation, an amide-based two-dimensional (2D) porous organic framework (POF) is devised. The pendent -NH2 groups are judiciously anchored with two catalytic stations viz. Rose Bengal and L-proline, through stepwise variation of solid phase peptide synthesis. The dual-catalyst engineered POF represents a fully organic material that synergistically performs visible-light triggered oxidative Mannich reaction to produce biorelevant heterocycle beta-amino ketone in excellent yield at room temperature, using oxygen as clean and selective oxidant. Importantly, activity of this bi-functionalized catalyst compares favorably well to individual homogeneous counterparts. The covalently modified framework demonstrates economic viability via gram-scale synthesis besides admirable reusability, and proves to be effective for nineteen varieties of substrates. The photocatalytic path is detailed from efficient energy transfer from host polymer to substrate in light of experimental and theoretical studies, which provides proof-of-concept to the photo-organo combined mechanism. The material benefits heterogenising two homogeneous catalysts, besides excluding additional steps of conventional Mannich reactions, and offers a step-forward to smart and green cross-dehydrogenative coupling reactions. (C) 2020 Elsevier Inc. All rights reserved.
}, keywords = {Atom-economy, C-H activation, Dual-catalyst engineering, Metal-free reaction, Photo-organo catalysis, Porous organic framework}, issn = {0021-9517}, doi = {10.1016/j.jcat.2020.12.013}, author = {Kumar, Gaurav and Dash, Soumya Ranjan and Neogi, Subhadip} } @article {47066, title = {Durable metalloporphyrin 2D-polymer for photocatalytic hydrogen and oxygen evolution from river and sea waters}, journal = {ChemCatChem}, volume = {13}, year = {2021}, month = {APR}, pages = {1717-1721}, type = {Article}, abstract = {
It is highly imaginary that the outcome of a combination of two complementary resources leads to answer an alarming global issue. One such possible example is the solar seawater splitting for {\textquoteleft}clean fuel{\textquoteright} H-2 generation. Since the catalytic activity and stability of the photocatalysts are substantially challenged in seawater, the design of an efficient and stable photocatalyst is highly desirable. Herein, we demonstrate the solar seawater splitting by a two-dimensional polymer catalyst derived from metalloporphyrin bearing multi-hydroxyl groups. A bimetallic (Co and Ni) porphyrin 2D-polymer exhibits excellent long-term durability of 15 cycles of H-2 and O-2 generation in 200 days from pure water without a considerable decrease in efficiency. Detailed studies using river and seawaters also show the reliable performance of the catalyst over repeated cycles. Here the deactivation modes of catalytic activity have been nullified by the layered metalloporphyrin polymer structure through stable pi-pi stacking, signifying the molecular design of 2D-polymer photocatalyst.
}, keywords = {2D-polymer, Photocatalyst, porphyrin, Self-assembly, water splitting}, issn = {1867-3880}, doi = {10.1002/cctc.202002039, Early Access Date = FEB 2021}, author = {Ranjeesh, Kayaramkodath Chandran and George, Leena and Maibam, Ashakiran and Krishnamurty, Sailaja and Babu, Sukumaran Santhosh} } @article {47106, title = {Dynamic coupling analysis on plant sesquiterpene synthases provides leads for the identification of product specificity determinants}, journal = {Biochemical and Biophysical Research Communications}, volume = {536}, year = {2021}, month = {JAN }, pages = {107-114}, type = {Article}, abstract = {
Sesquiterpene synthases catalyse cyclisation of farnesyl pyrophosphate to produce diverse sesquiterpenes. Despite utilising the same substrate and exhibiting significant sequence and structural homology, these enzymes form different products. Previous efforts were based on identifying the effect of divergent residues present at the catalytic binding pocket on the product specificity of these enzymes. However, the rationales deduced for the product specificity from these studies were not generic enough to be applicable to other phylogenetically distant members of this family. To address this problem, we have developed a novel approach combining sequence, structural and dynamical information of plant sesquiterpene synthases (SSQs) to predict product modulating residues (PMRs). We tested this approach on the SSQs with known PMRs and also on sesquisabinene synthase 1 (SaSQS1), a SSQ from Indian sandalwood. Our results show that the dynamical sectors of SSQs obtained from molecular dynamics simulation and their hydrophobicity and vicinity indices together provide leads for the identification of PMRs. The efficacy of the technique was tested on SaSQS1 using mutagenesis. To the best of our knowledge, this is a first technique of this kind which provides cues on PMRs of SSQs, with divergent phylogenetic relationship. (C) 2020 Elsevier Inc. All rights reserved.
}, keywords = {molecular dynamics, Product specificity, Sesquiterpene synthases, Statistical coupling analysis, X-ray crystallography}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2020.12.041}, author = {Singh, Sneha and Thulasiram, V, Hirekodathakallu and Sengupta, Durba and Kulkarni, Kiran} } @article {47388, title = {Easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles via [3+2] annulation}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {MAY}, pages = {4338-4345}, type = {Article}, abstract = {
A highly regioselective [3 + 2] annulation of Morita-Baylis-Hillman (MBH) carbonates of isatin with aurone/thioaurone is developed. Spiroheterocycles such as spirooxindole cyclopentadiene and spirooxindole fused hydroxy cyclopentene derivatives are constructed in one pot by exploring the reactivity of Lewis bases. Combined experimental and density functional theory (DFT) calculations offered an insight into the reaction mechanism.
}, issn = {1477-0520}, doi = {10.1039/d1ob00514f, Early Access Date = APR 2021}, author = {Warghude, Prakash K. and Sabale, Abhijeet S. and Dixit, Ruchi and Vanka, Kumar and Bhat, Ramakrishna G.} } @article {47737, title = {Editorial special issue in the journal of flow chemistry: engineering aspects of flow chemistry}, journal = {Journal of Flow Chemistry}, volume = {11}, year = {2021}, month = {SEP}, pages = {211-212}, type = {Editorial Material}, issn = {2062-249X}, doi = {10.1007/s41981-021-00197-8}, author = {Kockmann, Norbert and Hartman, Ryan and Kulkarni, Amol} } @article {47352, title = {Effect of CaCl2 and ZnCl2 salts on isobaric vapor-liquid equilibrium in separation of the azeotropic mixture of ethanol plus water}, journal = {Fluid Phase Equilibria}, volume = {537}, year = {2021}, month = {JUN }, pages = {113000}, type = {Article}, abstract = {
Present work analyzes potential of calcium chloride (CaCl2) and zinc chloride (ZaCl(2)) salts as entrainer for breaking the minimum boiling azeotrope of ethanol and water. Isobaric vapor-liquid equilibrium (VLE) data for the binary systems of water + ethanol and ternary system of water + ethanol + calcium chloride, and water + ethanol + zinc chloride were measured at a constant pressure of 94.5 kPa. The effect of salts on the relative volatility of ethanol to water as well as on the vapor phase mole fractions of ethanol were also studied experimentally. From the experimental results, it is observed that with addition of salts, the azeotropic point of the ethanol and water system can be eliminated. Salting out effects in case of calcium chloride was more than that zinc chloride salt. The results obtained in this work showed that calcium chloride could be a better choice for separation of the water + ethanol azeotrope. Electrolyte nonrandom two-liquid (eNRTL) model was used to correlate the experimental VLE data. The model prediction with the regressed parameters was found in well agreement with the experimental data. The experimental data obtained in this work was found thermodynamically consistent using van Ness test. (C) 2021 Elsevier B.V. All rights reserved.
}, keywords = {Azeotrope, eNRTL, Ethanol, salts, Vapor-liquid equilibrium, Water}, issn = {0378-3812}, doi = {10.1016/j.fluid.2021.113000}, author = {Ghuge, Pravin D. and Mali, Nilesh A. and Joshi, Sunil S.} } @article {47666, title = {Effect of Mn2+ substitution into the hst lattice of ZnO via sol-gel route for boosting the dye-sensitized solar cells performance (Apr, 10.1007/s11696-021-01615-w, 2021)}, journal = {Chemical Papers}, volume = {75}, year = {2021}, month = {AUG}, pages = {4019}, type = {Correction}, issn = {2585-7290}, doi = {10.1007/s11696-021-01658-z}, author = {Kumbhar, Deepak and Delekar, Sagar and Kumbhar, Sarita and Dhodamani, Ananta and Harale, Namdev and Nalawade, Rekha and Nalawade, Avinash} } @article {47404, title = {Effect of Mn2+ substitution into the hst lattice of ZnO via sol-gel route for boosting the dye-sensitized solar cells performance}, journal = {Chemical Papers}, volume = {75}, year = {2021}, month = {AUG}, pages = {4001-4017}, type = {Article}, abstract = {
In this study, Mn2+ ion is doped in ZnO lattice framework at 1, 3 and 5 wt \% by a simple and low-cost sol-gel route to attain improved optoelectronic response. The structural investigation by XRD and Raman analysis explores the formation of hexagonal wurtzite framework with variations in lattice parameters comprising peak intensities favors the Mn doping. The extent of doping was supported by EDS analysis, while XPS confirms doping in + 2 chemical state. The optical investigation by UV-visible and PL provides prominent peaks that also specify peak shifting in order of doping level, while the significant hexagon-shaped nanoparticle (NP) formation was deduced in SEM and TEM micrographs. These proficient ZnO NPs have been deposited on fluorine-doped tin oxide (FTO) conducting glass plate by doctor-blade technique to get photoanodes. The electrical performance of these photoanodes especially photocurrent generation was investigated under standard AM 1.5 one sun illuminations. The highest photoconversion efficiency was attained for 3\% Mn-doped ZnO photoanode after xanthene-based organic dye sensitization with output efficiency (eta\%) of 0.25\% higher than 0.03\% of bare ZnO. The comparable ionic radii with exactly half-filled 3d orbital simply overlap with the ZnO valence bond responsible for enhanced overall structural and optical properties that beneficial for DSSCs performance.
}, keywords = {gel, Mixed dye, Mn-doped ZnO, Photoelectrochemical cell, Sol\&\#8211}, issn = {2585-7290}, doi = {10.1007/s11696-021-01615-w, Early Access Date = APR 2021}, author = {Kumbhar, Deepak and Delekar, Sagar and Kumbhar, Sarita and Dhodamani, Ananta and Harale, Namdev and Nalawade, Rekha and Nalawade, Avinash} } @article {47089, title = {Effect of object shape on the flow past microstructures in small channel}, journal = {Fluid Dynamics Research}, volume = {53}, year = {2021}, month = {FEB}, pages = {015505}, type = {Article}, abstract = {
Flow past objects in microfluidics and microscale devices are used to perturb the flow and thereby achieve effective mixing and heat transfer. This paper presents the observations on the flow past bluff (elliptical, rectangular and triangular) cylindrical micropillars (objects) having different cross-sectional area in a micro-channel through 2D simulations. The pertinent range of Re based on object dimension (0.1 Re 150) was chosen to understand the wake dynamics that would remain relevant for comparison with literature data. Drag coefficient, recirculation region, critical Reynolds number for flow oscillations and vortex strength in a channel were studied. The drag coefficient was found to increase with aspect ratio of the object. The critical Re for flow oscillations was found to increase with the cross-sectional area of the object. The vortex strength in a channel was seen highest for triangular cylinder compared to elliptical and rectangular cylinder.
}, keywords = {2D simulations, flow past objects, micro and mini-channels, micropillars, wake dynamics}, issn = {0169-5983}, doi = {10.1088/1873-7005/abcd8b}, author = {Mule, Gunwant M. and Kulkarni, Amol A.} } @article {47071, title = {Effect of rice husk particle size on ZSM-5 physico-chemical properties for selective formation of 1,3,5-trimethyl-2-benzylbenzene (Pharmaceutical Intermediate)}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {FEB }, pages = {1255-1262}, type = {Article}, abstract = {
Rice husk, rich in silica and abundantly available as waste, is presently destroyed by burning, which creates environmental issues. Thus, it will be advantageous if this rice husk waste can be used for preparation of valuable products. One of the application is its use as silica source in the synthesis of zeolites like ZSM-5, which are silico-aluminates. Rice husk waste is available in wide range of particle sizes in agricultural farms. There is no study available in open literature on use of these wide particle ranges for its direct application. This paper is an attempt to use wide particle size rice husk, its effect on ZSM-5 synthesis and its physico-chemical properties. Further these prepared ZSM-5 catalyst was evaluated for benzylation of mesitylene reaction. The study found that, rice husk of 600 mu m particle size is optimum as far as ZSM-5 synthesis, its physicochemical properties and further its application in mesitylene benzylation reaction.
}, keywords = {Mesitylene, Particle size, rice husk, Silica Source, ZSM-5}, issn = {2365-6549}, doi = {10.1002/slct.202004802}, author = {Ghuge, Gorakh and Niphadkar, Prashant and Rathod, Simmy and Bokade, Vijay V.} } @article {47370, title = {Effect of wettability on hydrodynamics and mass transfer in small capillaries}, journal = {Chemical Engineering Research \& Design}, volume = {169}, year = {2021}, month = {MAY}, pages = {265-274}, type = {Article}, abstract = {
The wettability of the reactor wall has a significant effect on the interfacial liquid?liquid mass transfer rates in segmented flow. This work quantitatively demonstrates the importance of choosing the right material of construction of flow reactors to achieve the desired mass transfer performance. Glass and PTFE capillaries of identical diameter were used to study the effect of hydrophilic and hydrophobic surfaces on the hydrodynamics and mass transfer of the system. It was observed that for the overall mass transfer coefficient (kLa) changed by two orders of magnitude depending on the wettability of the continuous phase. The observations indicated that it is essential to achieve complete wetting of the capillary walls by the continuous phase for significant mass transfer enhancement. The observations are discussed on the basis of film thickness and slip velocity at the wall as well as the slip velocity at liquid?liquid interface. Predictions of the mass transfer coefficient using a model based on the interfacial and fluid properties showed excellent match with the experiments thereby allowing us to explore the effects of wettability on the overall mass transfer coefficient in greater detail. ? 2021 Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
}, keywords = {Liquid?liquid slug flow, Mass transfer, Slip velocity, Wettability}, issn = {0263-8762}, doi = {10.1016/j.cherd.2021.03.023}, author = {Sampat, Chaitanya and Pal, Sayan and Kulkarni, Amol A.} } @article {47100, title = {Effective structure of a system with continuous polydispersity}, journal = {Journal of Chemical Physics}, volume = {154}, year = {2021}, month = {JAN }, pages = {034503}, type = {Article}, abstract = {
In a system of N particles, with continuous size polydispersity, there exists an N(N - 1) number of partial structure factors, making it analytically less tractable. A common practice is to treat the system as an effective one component system, which is known to exhibit an artificial softening of the structure. The aim of this study is to describe the system in terms of M pseudospecies such that we can avoid this artificial softening but, at the same time, have a value of M \<\< N. We use potential energy and pair excess entropy to estimate an optimum number of species, M-0. We then define the maximum width of polydispersity, Delta sigma (0), that can be treated as a monodisperse system. We show that M-0 depends on the degree and type of polydispersity and also on the nature of the interaction potential, whereas Delta sigma (0) weakly depends on the type of polydispersity but shows a stronger dependence on the type of interaction potential. Systems with a softer interaction potential have a higher tolerance with respect to polydispersity. Interestingly, M-0 is independent of system size, making this study more relevant for bigger systems. Our study reveals that even 1\% polydispersity cannot be treated as an effective monodisperse system. Thus, while studying the role of polydispersity by using the structure of an effective one component system, care must be taken in decoupling the role of polydispersity from that of the artificial softening of the structure.
}, issn = {0021-9606}, doi = {10.1063/5.0038812}, author = {Patel, Palak and Nandi, Manoj Kumar and Nandi, Ujjwal Kumar and Bhattacharyya, Sarika Maitra} } @article {47800, title = {Effectors of root-knot nematodes: an arsenal for successful parasitism}, journal = {Frontiers in Plant Science}, volume = {12}, year = {2021}, month = {DEC}, type = {Review Article}, abstract = {Root-knot nematodes (RKNs) are notorious plant-parasitic nematodes first recorded in 1855 in cucumber plants. They are microscopic, obligate endoparasites that cause severe losses in agriculture and horticulture. They evade plant immunity, hijack the plant cell cycle, and metabolism to modify healthy cells into giant cells (GCs) {\textendash} RKN feeding sites. RKNs secrete various effector molecules which suppress the plant defence and tamper with plant cellular and molecular biology. These effectors originate mainly from sub-ventral and dorsal oesophageal glands. Recently, a few non-oesophageal gland secreted effectors have been discovered. Effectors are essential for the entry of RKNs in plants, subsequently formation and maintenance of the GCs during the parasitism. In the past two decades, advanced genomic and post-genomic techniques identified many effectors, out of which only a few are well characterized. In this review, we provide molecular and functional details of RKN effectors secreted during parasitism. We list the known effectors and pinpoint their molecular functions. Moreover, we attempt to provide a comprehensive insight into RKN effectors concerning their implications on overall plant and nematode biology. Since effectors are the primary and prime molecular weapons of RKNs to invade the plant, it is imperative to understand their intriguing and complex functions to design counter-strategies against RKN infection.}, issn = {1664-462X}, doi = {10.3389/fpls.2021.800030}, author = {Jagdale, Shounak and Rao, Uma and Giri, Ashok P.} } @article {47109, title = {Efficient catalytic transfer hydrogenation-hydrodeoxygenation of lignin derived monomers: investigating catalyst properties-activity correlation}, journal = {Catalysis Communications}, volume = {149}, year = {2021}, month = {JAN }, pages = {106220}, type = {Article}, abstract = {
Reduction of O/C ratio of lignin derived monomers via hydrodeoxygenation (HDO) pathway is conventionally furnished using molecular hydrogen under severe conditions. Nonetheless, due to a prerequisite to accomplish HDO through commercially attractive methodology we report, HDO reactions of various phenolic compounds via catalytic transfer hydrogenation (CTH) pathway using very low loading of Ru (0.5 wt\%) on neutral and acidic Al2O3 under nitrogen atmosphere. With guaiacol as a substrate, 74\% cyclohexanol yield at 225 degrees C in the presence of IPA is realized. Bi-functionality of metal state, acidity of support and nature of alcohol are perceived to be responsible for the variation in activity.
}, keywords = {Catalytic transfer hydrogenation (CTH), Cyclohexanol, Hydrodeoxygenation, lignin, Supported metal catalysts}, issn = {1566-7367}, doi = {10.1016/j.catcom.2020.106220}, author = {Singh, Dheerendra and Dhepe, Paresh L.} } @article {47110, title = {Efficient electrochemical oxygen reduction to hydrogen peroxide by transition metal-doped silicate Sr0.7Na0.3SiO3-delta}, journal = {ACS Applied Materials \& Interfaces}, volume = {13}, year = {2021}, month = {JAN}, pages = {382-390}, type = {Article}, abstract = {
Electrochemical oxygen reduction in a selective two-electron pathway is an efficient method for onsite production of H2O2. State of the art noble metal-based catalysts will be prohibitive for widespread applications, and hence earth-abundant oxide-based systems are most desired. Here we report transition metal (Mn, Fe, Ni, Cu)-doped silicates, Sr0.7Na0.3SiO3-delta, as potential electrocatalysts for oxygen reduction to H2O2 in alkaline conditions. These novel compounds are isostructural with the parent Sr0.7Na0.3SiO3-delta and crystallize in monoclinic structure with corner-shared SiO4 groups forming cyclic trimers. The presence of Na stabilizes O vacancies created on doping, and the transition metal ions provide catalytically active sites. Electrochemical parameters estimated from Tafel and Koutechy-Levich plots suggest a two-electron transfer mechanism, indicating peroxide formation. This is confirmed by the rotating ring disc electrode method, and peroxide selectivity and Faradaic efficiency are calculated to be in the range of 65-82\% and 50-68\%, respectively, in a potential window 0.3 to 0.6 V (vs RHE). Of all the dopants, Ni imparts the maximum selectivity and efficiency as well as highest rate of formation of H2O2 at 1.65 mu mol s(-1).
}, keywords = {H2O2, mixed metal oxide, ORR, silicate}, issn = {1944-8244}, doi = {10.1021/acsami.0c16311}, author = {Thundiyil, Shibin and Kurungot, Sreekumar and Devi, R. Nandini} } @article {47417, title = {Efficient metal-free organic room temperature phosphors}, journal = {Chemical Science}, volume = {12}, year = {2021}, month = {MAR}, pages = {4216-4236}, type = {Review}, abstract = {
An innovative transformation of organic luminescent materials in recent years has realised the exciting research area of ultralong room-temperature phosphorescence. Here the credit for the advancements goes to the rational design of new organic phosphors. The continuous effort in the area has yielded wide varieties of metal-free organic systems capable of extending the lifetime to several seconds under ambient conditions with high quantum yield and attractive afterglow properties. The various strategies adopted in the past decade to manipulate the fate of triplet excitons suggest a bright future for this class of materials. To analyze the underlying processes in detail, we have chosen high performing organic triplet emitters that utilized the best possible ways to achieve a lifetime above one second along with impressive quantum yield and afterglow properties. Such a case study describing different classes of metal-free organic phosphors and strategies adopted for the efficient management of triplet excitons will stimulate the development of better candidates for futuristic applications. This Perspective discusses the phosphorescence features of single- and multi-component crystalline assemblies, host-guest assemblies, polymers, and polymer-based systems under various classes of molecules. The various applications of the organic phosphors, along with future perspectives, are also highlighted.
}, issn = {2041-6520}, doi = {10.1039/d1sc00446h}, author = {Nidhankar, Aakash D. and Goudappagouda and Wakchaure, Vivek C. and Babu, Sukumaran Santhosh} } @article {46895, title = {Eichhornia crassipes mediated bioinspired synthesis of crystalline nano silver as an integrated medicinal material: a waste to value approach}, journal = {Journal of Cluster Science}, volume = {32}, year = {2021}, month = {MAR}, pages = {391-404}, type = {Article}, abstract = {
The present study deals with the synthesis of silver nanoparticles from Eichhornia crassipes. Dynamic light scattering (DLS), Transmission electron microscopy (TEM), UV-Vis spectroscopy, Fourier Transform Infrared (FTIR) spectroscopy and X-ray diffraction (XRD) were performed for nanoparticle characterization. The aqueous plant extract of Eichhornia crassipes was phytochemically analyzed for phenol, flavonoid, reducing sugar content, alkaloids, saponins and carotenoids. The synthesized particles after optimization of important parameters have an average diameter of 12.48 +/- 3.43 nm with a spherical morphology and zeta potential of - 31.53 mV. At 100 mu g/ml of nanoparticle concentration, the antioxidant activity of 93.6\% was observed. MIC (Minimum inhibitory concentration) values exhibiting the antimicrobial attributes reported an estimated value of 7.8 mu g/ml for gram-negative and higher values of 31.25 and 250 mu g/ml for gram-positive bacteria. The antibiofilm assay showed 86.89\% and 74.7\% of the reduction in violacein synthesis and biofilm inhibition respectively at 15 mu g/ml nanoparticle concentration. The anticancer assay reported the IC50 (Inhibitory concentration) values of 13.32, 14.71 and 19.91 mu g/ml for HeLa, HCT 116 and L6 cell lines respectively. Thus the study establishes a significant integrative treatment to combat secondary infections in cancer patients. Graphic
}, keywords = {antibacterial activity, Antibiofilm activity, Anticancer activity, Antioxidant activity, Eichhornia crassipes, silver nanoparticles}, issn = {1040-7278}, doi = {10.1007/s10876-020-01797-5, Early Access Date = APR 2020}, author = {Moudgil, Aliesha and Deval, Animesh S. and Dharne, Mahesh S. and Sarkar, Dhiman M. and Choudhari, Amit S. and Chaudhari, Bhushan P.} } @article {47357, title = {Elastic piezoelectric aerogels from isotropic and directionally ice-templated cellulose nanocrystals: comparison of structure and energy harvesting}, journal = {Cellulose}, volume = {28}, year = {2021}, month = {JUL}, pages = {6323-6337}, type = {Article}, abstract = {
We report the preparation of highly compressible and elastic piezoelectric aerogels of carboxylated cellulose nanocrystals (CNCs). Aqueous CNC dispersions containing polyethyleneimine and crosslinker were frozen isotropically to yield isotropic aerogels, while oriented aerogels were prepared by directional freezing. These aerogels were highly flexible and porous (similar to 85\% void fraction), exhibiting greater than 90\% recovery at 50\% compressive strain even after 100 compression-decompression cycles. Since such aerogels with low bulk modulus and high anisotropy would be an ideal platform for leveraging the piezoelectric properties of CNCs, we used them to prepare piezoelectric nanogenerator devices and determined their energy transduction behavior. Anisotropic aerogels led to an enhanced open-circuit voltage of 840 mV (at similar to 8 N applied force), which is over 2.6 times higher than isotropic aerogels (320 mV). The energy density of anisotropic aerogels was around 52 nW/cm(2), representing outstanding piezoelectric performance for cellulose-based aerogels. Such aerogels with high compressibility, elastic recovery and exceptional piezoelectric performance could have potential applications in sensors, wearable electronics, etc.
}, keywords = {Aerogel, Anisotropic, Cellulose nanocrystals, energy harvesting, Piezoelectricity}, issn = {0969-0239}, doi = {10.1007/s10570-021-03896-6, Early Access Date = MAY 2021}, author = {Ram, Farsa and Biswas, Bipul and Torris, Arun and Kumaraswamy, Guruswamy and Shanmuganathan, Kadhiravan} } @article {47774, title = {Electrocatalytic nitrogen reduction directed through the p-band center of boron on BSAC@Mo2C}, journal = {Materials Advances}, year = {2021}, month = {NOV}, type = {Article}, abstract = {Greener modes of ammonia synthesis via the electrocatalytic route have been investigated on pristine and defective Mo2C based monolayers anchored with metal-free boron atom catalysts. Boron single atom catalysts (SACs) on the defective Mo2C monolayer has been found to activate N2 strongly with an adsorption energy of -1.92 eV and reduce it to NH3 efficiently with a significantly low overpotential of 0.41 eV. The exothermic adsorption of N2 and low overpotential for the nitrogen reduction reduction (NRR) appertain to the p-band center of the boron atom catalyst and charge transfer between the adsorbed N2 and the catalyst, respectively. This work brings forth the correlation between electron occupancy on the boron center and NRR catalytic efficiency on a metal-free SACs@Mo2C monolayer couple, thereby serving as a lead in designing metal free electrocatalysts for the NRR.}, doi = {10.1039/D1MA00953B}, author = {Maibam, Ashakiran and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {47420, title = {Electronic and optical properties of vacancy ordered double perovskites A(2)BX(6) (A=Rb, Cs; B=Sn, Pd, Pt; and X=Cl, Br, I): a first principles study}, journal = {Scientific Reports }, volume = {11}, year = {2021}, month = {MAR }, pages = {6965}, type = {Article}, abstract = {
The highly successful PBE functional and the modified Becke-Johnson exchange potential were used to calculate the structural, electronic, and optical properties of the vacancy-ordered double perovskites A(2)BX(6) (A=Rb, Cs; B=Sn, Pd, Pt; X=Cl, Br, and I) using the density functional theory, a first principles approach. The convex hull approach was used to check the thermodynamic stability of the compounds. The calculated parameters (lattice constants, band gap, and bond lengths) are in tune with the available experimental and theoretical results. The compounds, Rb2PdBr6 and Cs2PtI6, exhibit band gaps within the optimal range of 0.9-1.6 eV, required for the single-junction photovoltaic applications. The photovoltaic efficiency of the studied materials was assessed using the spectroscopic-limited-maximum-efficiency (SLME) metric as well as the optical properties. The ideal band gap, high dielectric constants, and optimum light absorption of these perovskites make them suitable for high performance single and multi-junction perovskite solar cells.
}, issn = {2045-2322}, doi = {10.1038/s41598-021-86145-x}, author = {Faizan, Muhammad and Bhamu, K. C. and Murtaza, Ghulam and He, Xin and Kulhari, Neeraj and AL-Anazy, Murefah Mana and Khan, Shah Haidar} } @article {47589, title = {Electronically integrated mesoporous Ag-TiO2 nanocomposite thin films for efficient solar hydrogen production in direct sunlight}, journal = {Energy Technology}, volume = {10}, year = {2021}, month = {AUG}, pages = {2100356}, type = {Article}, abstract = {
The synthesis of mesoporous TiO2 by a solution-based assembly process and Ag/TiO2 nanocomposites is provided. The efficacy of Ag/TiO2 nanocomposite as photocatalyst in thin-film form is demonstrated for solar hydrogen generation in sunlight. Integration of Ag with TiO2 dramatically enhanced the H-2 production: with 1 wt\% Ag on TiO2 (TiAg-1), the H-2 yield was observed to be 4.59 mmol h(-1) g(-1), which is 2.3 (30) times larger than 0.5 wt\% Ag on TiO2. TiAg-1 shows 4.3 times higher activity in film form compared with its powder counterpart. High photocatalytic efficiency is attributed to the surface plasmon resonance effect of Ag, electronic integration of Ag with TiO2, and subsequent valence band broadening, large distribution of Ag nanoparticles and abundant Ag-TiO2 Schottky junctions, and the later minimizes electron-hole recombination. Interparticle mesoporous network increases necking and the high surface area offers easy accessibility of the reactants to a large number of active sites.
}, keywords = {heterogeneous catalysis, heterojunctions, plasmon effect, Silver, solar energy conversion, Solar hydrogen}, issn = {2194-4288}, doi = {10.1002/ente.202100356}, author = {Mani, Sunesh S. and Rajendran, Sivaraj and Nalajala, Naresh and Mathew, Thomas and Gopinath, Chinnakonda S.} } @article {47736, title = {Elucidating the effect of CaF2 on structure, biocompatibility and antibacterial properties of S53P4 glass (vol 831, 154704, 2020)}, journal = {Journal of Alloys and Compounds}, volume = {883}, year = {2021}, month = {NOV}, pages = {161253}, type = {Correction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.161253}, author = {Prasad, Sakthi and Ganisetti, Sudheer and Jana, Anuradha and Kant, Shashi and Sinha, P. K. and Tripathy, Sucheta and Illath, Kavya and Ajithkumar, T. G. and Annapurna, K. and Allu, Amarnath R. and Biswas, Kaushik} } @article {47439, title = {Elucidating the effect of solid base on the hydrogenation of C5 and C6 sugars over Pt{\textendash}Sn bimetallic catalyst at room temperature}, journal = {Carbohydrate Research}, volume = {505}, year = {2021}, month = {JUL}, pages = {108341}, type = {Article}, abstract = {
Conversion of sugars into\ sugar alcohols\ at room temperature with exceedingly high yields are achieved over Pt{\textendash}Sn/γ-Al2O3\ catalyst in the presence of calcined\ hydrotalcite. pH of the reaction mixture significantly affects the conversion and selectivity for sugar alcohols. Selection of a suitable base is the key to achieve optimum yields. Various solid bases in combination with Pt{\textendash}Sn/γ-Al2O3\ catalysts were evaluated for hydrogenation of sugars. Amongst all combinations, the mixture (1:1\ wt/wt) of Pt{\textendash}Sn/γ-Al2O3\ and calcined hydrotalcite showed the best results. Hydrotalcite helps to make the pH of reaction mixture alkaline at which sugar molecules undergo ring opening. The sugar molecule in open chain form has\ carbonyl group\ which can be polarized by Sn in Pt{\textendash}Sn/γ-Al2O3\ and Pt facilitates the hydrogenation. In the current work, effect of both; solid base and Sn as a promoter has been studied to improve the yields of sugar alcohols from various C5 and C6 sugars at very mild reaction conditions.
}, keywords = {Bimetallic catalyst, Hydrogenation, Hydrotalcites, Sugar, Sugar alcohols}, issn = {0008-6215}, doi = {10.1016/j.carres.2021.108341}, author = {Tathod, Anup P. and Dhepe, Paresh L.} } @article {47415, title = {Emergence of cooperatively reorganizing cluster and super-Arrhenius dynamics of fragile supercooled liquids}, journal = {Physical Review E}, volume = {103}, year = {2021}, month = {MAR}, pages = {032611}, type = {Article}, abstract = {
In this paper, we develop a theory to calculate the structural relaxation time tau(alpha) of fragile supercooled liquids. Using the information of the configurational entropy and structure, we calculate the number of dynamically free, metastable, and stable neighbors around a central particle. In supercooled liquids, the cooperatively reorganizing clusters (CRCs) in which the stable neighbors form {\textquoteleft}{\textquoteleft}stable{\textquoteright}{\textquoteright} nonchemical bonds with the central particle emerge. For an event of relaxation to take place, these bonds have to reorganize irreversibly; the energy involved in the processes is the effective activation energy of relaxation. The theory brings forth a temperature T-a and a temperature-dependent parameter psi(T) which characterize slowing down of dynamics on cooling. It is shown that the value of psi(T) is equal to 1 for T \> T-a, indicating that the underlying microscopic mechanism of relaxation is dominated by the entropy-driven processes, while for T \< T-a, psi(T ) decreases on cooling, indicating the emergence of the energy-driven processes. This crossover of psi(T) from high to low temperatures explains the crossover seen in tau(alpha). The dynamics of systems that may have similar static structure but very different dynamics can be understood in terms of psi(T). We present results for the Kob-Anderson model for three densities and show that the calculated values of tau(alpha) are in excellent agreement with simulation values for all densities. We also show that when psi(T), tau(alpha), and other quantities are plotted as a function of T/T-a, (or Ta/T), the data collapse on master curves.
}, issn = {2470-0045}, doi = {10.1103/PhysRevE.103.032611}, author = {Singh, Ankit and Bhattacharyya, Sarika Maitra and Singh, Yashwant} } @article {47408, title = {Enantioselective reduction of ketones and synthesis of 2-methyl-2,3-dihydro-1-benzofuran catalyzed by chiral spiroborate ester}, journal = {Russian Journal of Organic Chemistry}, volume = {57}, year = {2021}, month = {APR}, pages = {611-618}, type = {Article}, abstract = {
Asymmetric reduction of homobenzylic ketones was achieved through the use of chiral spiroborate ester catalyst. The catalyst is applicable for both analytical and industrial purposes since it is not sensitive to air and moisture. A rapid synthetic route has been developed for the preparation of (S)-2-methyl-2,3-dihydro-1-benzofuran via enantioselective reduction of homobenzylic ketone in the presence of a chiral spiroborate catalyst as the key step.
}, keywords = {2-methyl-2, 3-dihydro-1-benzofuran, asymmetric reduction, spiroborate ester}, issn = {1070-4280}, doi = {10.1134/S1070428021040163}, author = {Patil, H. S. and Nikalje, M. D. and Chopade, A. U. and Chopade, M. U.} } @article {47660, title = {Enantioselective separation using chiral amino acid functionalized polyfluorene coated on mesoporous anodic aluminum oxide membranes (vol 92, pg 6850, 2020)}, journal = {Analytical Chemistry}, volume = {93}, year = {2021}, month = {JUL }, pages = {10388}, type = {Correction}, issn = {0003-2700}, doi = {10.1021/acs.analchem.1c02694}, author = {Nikam, Shrikant B. and Asha, S. K.} } @article {47626, title = {Enantioselective synthesis of 5,6-dihydroindolizines by N-heterocyclic carbene (NHC)-catalyzed core-structure-inspired strategy of azolium-enolate cascade}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {JUL }, pages = {5223-5228}, type = {Article}, abstract = {The core-structure motivated design has allowed the enantioselective synthesis of 5,6-dihydroindolizines via N-heterocyclic carbene (NHC) catalysis. The NHC-catalyzed reaction of alpha,beta-unsaturated aldehydes with the suitably substituted pyrrole derivatives proceed via the initial generation of alpha,beta-unsaturated acylazoliums from enals, and enolates from pyrroles and the reaction culminated in an efficient cascade process involving the Michael-aldol-lactonization-decarboxylation sequence to afford the products in reasonable yields and high selectivities. The method is further extended to the construction of spirocyclic 5,6-dihydroindolizines.}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c01761}, author = {Ghosh, Arghya and Shee, Sayan and Barik, Shilpa and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {47135, title = {Energy and life cycle impact assessment for xylitol production from corncob}, journal = {Journal of Cleaner Production}, volume = {278}, year = {2021}, month = {JAN }, pages = {123217}, type = {Article}, abstract = {
The conversion of biobased feedstocks into energy and value-added chemicals is one main approach to address the current global challenge for waste mitigation through the biorefinery mode. Corncob biomass which is one of the most abundant agricultural residue in India with a high hemicellulose content, can serve as a potential low-cost raw material for food-grade xylitol production. The present study demonstrates a process for xylitol production from corncob biomass with detailed energy and life cycle analysis for viability assessment. The major highlight of the process is the use of microbial fermentation, where biomass-derived D-xylose is converted to xylitol with high selectivity. Overall, 0.502 kg of xylitol crystals could be produced from 3.5 kg of corncob biomass. Simulation analysis revealed that the evaporators are the primary consumers of energy, and the process of heat integration can significantly reduce the energy requirements of the overall process. Environmental impacts of the system evaluated showed emission results of 8.68 kg CO2 equivalent and revealed that marine aquatic and freshwater eco-toxicity are the only possible contributors to the environment. The results suggest that the process would have favourable energy balances, which can be used in pilot plant and heat exchanger network design and operation for xylitol production scale up to 500 L. (C) 2020 Elsevier Ltd. All rights reserved.
}, keywords = {biomass valorization, Life cycle impact assessment, simulation, xylitol}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2020.123217}, author = {Dasgupta, Diptarka and Sidana, Arushdeep and Ghosh, Prasenjit and Sharma, Tripti and Singh, Jasvinder and Prabhune, Asmita and More, Snehal and Bhaskar, Thallada and Ghosh, Debashish} } @article {47738, title = {Engineering microstructure of LiFe(MoO4)(2) as an advanced anode material for rechargeable lithium-ion battery}, journal = {Journal of Materials Science-Materials In Electronics}, volume = {32}, year = {2021}, month = {OCT}, pages = {24273-24284}, type = {Article}, abstract = {Graphite is considered as an ideal anode material for lithium-ion battery (LIB) due to its high stability, good conductivity and wide source of availability. However, the low energy density and theoretical capacity of graphite cannot meet the needs of high performance anode materials. To circumvent this issue, alternative materials have been sought for many years now. Herein, we report the synthesis of highly crystalline lithium iron molybdate LiFe(MoO4)(2) by combustion method and evaluated its performance as an anode material for lithium-ion batteries. Triclinic LiFe(MoO4)(2) crystals having particle size 2-5 mu m with good crystallinity were obtained. The material shows long cycle life and high rate performance than commercial graphite and exhibits first reversible discharge capacity of 931.6 mAh/g at a current density of 100 mA/g which is three times higher than commercial graphite. The high specific capacity together with the outstanding rate and cycle performance makes LiFe(MoO4)(2) a promising anode material for LIB. A detailed analysis on the crystal structure and electronic properties of LiFe(MoO4)(2) is presented based on DFT studies to complement the experimental observations.}, issn = {0957-4522}, doi = {10.1007/s10854-021-06892-5}, author = {Tamboli, Asiya M. and Tamboli, Mohaseen S. and Dwivedi, Pravin Kumari and Praveen, C. S. and Karbhal, Indrapal and Shelke, V, Manjusha and Kim, Bomyung and Park, Chinho and Kale, Bharat B.} } @article {47029, title = {Enhanced electrocatalytic activity of PtRu/nitrogen and sulphur co-doped crumbled graphene in acid and alkaline media}, journal = {Journal of Colloid and Interface Science}, volume = {590}, year = {2021}, month = {MAY }, pages = {154-163}, type = {Article}, abstract = {
The low mass activity and high price of pure platinum (Pt)-based catalysts predominantly limit their large-scale utilization in electrocatalysis. Therefore, the reduction of Pt amount while preserving the electrocatalytic efficiency represents a viable alternative. In this work, we prepared new PtRu2 nanoparticles supported on sulphur and nitrogen co-doped crumbled graphene with trace amounts of iron (PtRu2/PF) electrocatalysts. The PtRu2/PF catalysts exhibited enhanced electrocatalytic performance and stability for the hydrogen evolution reaction (HER) at pH = 0. Moreover, the prepared PtRu2/PF electrocatalyst displayed higher HER activity than commercial 20\% Pt/C. The PtRu2/PF catalyst achieved a current density of 10 mA cm(-2) at an overpotential value of only 22 mV for HER, performing better activity than many other Pt-based electrocatalysts. Besides, the PtRu2/PF revealed a good performance for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in alkaline media. The PtRu2/PF catalyst recorded a current density of 10 mA cm(-2) at an overpotential of only 270 mV for OER in KOH (1.0 M) solution and an onset potential of 0.96 V vs. RHE (at 1 mA cm(-2)) for ORR in KOH (0.1 M) solution. (C) 2021 Elsevier Inc. All rights reserved.
}, keywords = {HER, OER, ORR, PtRu2, Sulphur and nitrogen co-doped crumbled graphene}, issn = {0021-9797}, doi = {10.1016/j.jcis.2021.01.049}, author = {Pang, Liuqing and Miao, Yuanyuan and Bhange, Siddheshwar N. and Barras, Alexandre and Addad, Ahmed and Roussel, Pascal and Amin, Mohammed A. and Kurungot, Sreekumar and Szunerits, Sabine and Boukherroub, Rabah} } @article {47628, title = {Enhanced one-pot selective conversion of cellulose to ethylene glycol over NaZSM-5 supported metal catalysts}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {OCT}, pages = {19244-19254}, type = {Article}, abstract = {The mesopores interconnected with microporous NaZSM-5 was synthesised by sol-gel method. Reactions involving cellulose using different bimetallic and trimetallic combinations of nickel, aluminium, and tungsten metals supported on NaZSM-5 have been carried out. Different weight percentages (wt\%) of Al, Ni, and W were loaded onto the NaZSM-5 support via a wet impregnation method. The prepared catalysts were characterized using PXRD, FE-SEM, HR-TEM, BET, and XPS studies to investigate the presence of mesopores, the textural properties, the metal loading, and the active oxidation states. The catalytic activities of the xAl-yNi-zW/NaZSM-5 (where x, y, and z are the wt\% values of Al, Ni, and W, respectively) supported catalysts were studied during the one-pot conversion of cellulose into ethylene glycol at 220 degrees C and with a pressure of 70 bar H-2 (at the reaction temperature) in water (as a solvent). The 5\%Al-8\%Ni-25\%W/NaZSM-5 catalyst exhibited the highest cellulose conversion of 100\%, with an ethylene glycol yield as high as 89\% (C mol\%) under moderate reaction conditions being reported for the first time. Al3+ in the catalyst hydrolyzed cellulose, and W5+ species acted as acid centres that facilitated the retro-aldol condensation reaction and eventually led to an increased EG yield in the presence of Ni. The catalyst was moderately stable after four consecutive runs for 6 h at 220 degrees C and at a H-2 reaction pressure of 70 bar, though a 12 h reaction resulted in the highest EG yield. The high yields under moderate reaction conditions promise an energy-efficient and economically feasible process.}, issn = {1144-0546}, doi = {10.1039/d1nj03257g}, author = {Sreekantan, Sreejith and Kirali, Arun Arunima and Marimuthu, Banu} } @article {47389, title = {Enhanced photocatalytic properties of a chemically modified blue phosphorene}, journal = {RSC Advances }, volume = {11}, year = {2021}, month = {APR }, pages = {13348-13358}, type = {Article}, abstract = {
It is high time to placate the peak demand for an efficient, economic and green fuel in the form of H-2 through photocatalytic water splitting. Several low dimensional materials have been explored for their photocatalytic properties on account of their surface to volume ratio. The present study illustrates the excellent photocatalytic potential of a two-dimensional material, viz. a chemically tempered blue-phosphorene sheet, with single atom thickness and high carrier mobility. Metal-free element, sulphur, is explored as a dopant in a 32-atom blue-phosphorene sheet. The dopant is inserted at three locations viz. central, edge and central edge positions with varying concentrations from 3.125\% to 18.75\% (corresponding to n = 1 to 6 sulphur atoms within a 32-atom blue-phosphorene sheet, P32-nSn). The cohesive energy studies predict the higher stability of even number S doped sheets as compared to their odd counterparts. Photocatalytic activity is studied in terms of band gap and band alignment for different concentrations of the former. Studies reveal that edge doping demonstrates better water molecule activation independent of S atom concentration. The edge doped systems not only provide the chemical activity to activate water, but also show feasible HER overpotentials of 1.24-1.29 eV at neutral medium. Finally, this work opens up a driving lead of non-corrosive catalysts for water molecule splitting.
}, doi = {10.1039/d0ra10829d}, author = {Maibam, Ashakiran and Das, Sawan Kumar and Samal, Pragnya Paramita and Krishnamurty, Sailaja} } @article {46669, title = {Enhanced photoelectrochemical cell performance of Co doped ZnO nanoparticles sensitized by affordable mixed dyes as sensitizer}, journal = {Inorganic and Nano-Metal Chemistry}, volume = {51}, year = {2021}, month = {SEP}, pages = {1258-1271}, type = {Article}, abstract = {
In the present investigation, a simple sol-gel approach has been employed for the synthesis of hexagonal wurtzite ZnO nanoparticles (NPs). X-ray diffraction (XRD) rietveld study and Raman analysis reveal the mislaid of the mixed phases of ZnO NPs after doping. The scanning electron micrographs and transmission electron microscopy confirm the formation of hexagonal disk-shaped NPs. FTIR, PL, EDX, XPS validate optical and stoichiometric concentration of Co in ZnO lattice. UV-visible DRS study shows absorption edge with humps to the red region of the spectrum with increasing the absorption strength and shortening of band gap as the content of Co (II) increases. Finally, the prepared samples were coated on the surface of cleaned FTO substrate through a simple doctor blade technique and sensitized with prepared dye. The ZnO photoanode shows 0.036\% of efficiency (eta\%) while the photoanodes of Co doped samples expose the enhanced efficiencies of 0.29\%, 0.389\%, 0.089\%.
}, keywords = {Co doped ZnO, mixed dyes as sensitizer, Photoelectrochemical cell, sol-gel}, issn = {2470-1556}, doi = {10.1080/24701556.2020.1835963}, author = {Kumbhar, Deepak and Kumbhar, Sarita and Dhodamani, Anant and Delekar, Sagar and Harale, Namdev and Nalawade, Rekha and Nalawade, Avinash} } @article {47115, title = {Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {JAN }, pages = {227-237}, type = {Article}, abstract = {
Cocrystallization is a rational selection crystal engineering approach for the development of novel solid forms with enhanced physicochemical and mechanical properties. Nicorandil (NCR) is a niacinamide vitamin derivative used to treat angina pectoris. A binary solid form screen of NCR with homologous dicarboxylic acids afforded NCR-oxalic acid (NCR-OA, 1:1), NCR-fumaric acid (NCR-FA, 1:1), NCR-succinic acid (NCR-SA, 1:1), and NCR-suberic acid (NCR-SBA, 1:0.5). The binary solids were characterized by powder X-ray diffraction, IR and NMR spectroscopy, and DSC. NCR-FA and NCR-SBA were crystallized by slow evaporation from chloroform and toluene solvents, respectively. Single crystal X-ray diffraction confirmed that NCR-FA is a molecular salt, while NCR-SBA is a neutral cocrystal. NCR and the FA anion are connected via the robust carbovlate-pyridinium synthon, whereas in the NCR-SBA cocrystal, the components associate via the carboxylic acid- -pyridine synthon. The phase stability, solubility, dissolution rate, diffusion rate and tabletability studies have demonstrated that the binary solids exhibit improved physical and mechanical properties compared to the NCR drug. Specifically, the NCR-FA salt and NCR-SBA cocrystal have higher solubility, dissolution rate, and hardness at lower pressures, making the formulation suitable for tablet compression.
}, issn = {1466-8033}, doi = {10.1039/d0ce01316a}, author = {Mannava, M. K. Chaitanya and Gunnam, Anilkumar and Lodagekar, Anurag and Shastri, Nalini R. and Nangia, Ashwini K. and Solomon, K. Anand} } @article {47684, title = {Entacapone polymorphs: crystal structures, dissolution, permeability, and stability}, journal = {Crystal Growth \& Design}, volume = {21}, year = {2021}, month = {OCT }, pages = {5573-5585}, type = {Article}, abstract = {Entacapone (ETP) is a catechol-O-methyltransferase (COMT) drug used to treat Parkinson{\textquoteright}s disease. ETP is available in the marketplace under the brand name Comtan since 2010, and ETP form-I was first reported in a patent published in 2001. However, analysis of its Xray crystal structures and stability relationship of ETP polymorphs and their dissolution and permeability profile have not yet been reported. We crystallized two new conformational polymorphs of ETP from a water and acetone mixture and studied the structural origin of polymorphism and their phase transformations, stability, equilibrium solubility, dissolution, and permeability properties. The ETP molecule adopts different conformations in the polymorphic structures with slight changes in carbonyl and nitrile group orientations. Thermal analysis suggests that form-III and form-IV are enantiotropically related to form-I, which is the thermodynamically stable form at ambient conditions. In contrast, form-II is monotropically related to form-I. Equilibrium solubility, dissolution, and permeability studies show that form-II persists in the slurry medium and dissolves faster with a high flux rate compared to the stable form-I in phosphate buffer solution at 37 +/- 0.5 degrees C.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.1c00381}, author = {Bommaka, Manish Kumar and Mannava, M. K. Chaitanya and Rai, Sunil K. and Suresh, Kuthuru and Nangia, Ashwini K.} } @article {47822, title = {Epigallocatechin-3-gallate modulates tau post-translational modifications and cytoskeletal network}, journal = {Oncotarget}, volume = {12}, year = {2021}, month = {MAY}, pages = {1083 - 1099}, type = {Article}, abstract = {BACKGROUND: Alzheimer{\textquoteright}s disease is a type of dementia denoted by progressive neuronal death due to the accumulation of proteinaceous aggregates of Tau. Post-translational modifications like hyperphosphorylation, truncation, glycation, etc. play a pivotal role in Tau pathogenesis. Glycation of Tau aids in paired helical filament formation and abates its microtubule-binding function. The chemical modulators of Tau PTMs, such as kinase inhibitors and antibody-based therapeutics, have been developed, but natural compounds, as modulators of Tau PTMs are not much explored. MATERIALS AND METHODS: We applied biophysical and biochemical techniques like fluorescence kinetics, oligomerization analysis and transmission electron microscopy to investigate the impact of EGCG on Tau glycation in vitro. The effect of glycation on cytoskeleton instability and its EGCG-mediated rescue were studied by immunofluorescence microscopy in neuroblastoma cells. RESULTS: EGCG inhibited methyl glyoxal (MG)-induced Tau glycation in vitro. EGCG potently inhibited MG-induced advanced glycation endproducts formation in neuroblastoma cells as well modulated the localization of AT100 phosphorylated Tau in the cells. In addition to preventing the glycation, EGCG enhanced actin-rich neuritic extensions and rescued actin and tubulin cytoskeleton severely disrupted by MG. EGCG maintained the integrity of the Microtubule Organizing Center (MTOC) stabilized microtubules by Microtubule-associated protein RP/EB family member 1 (EB1). CONCLUSIONS: We report EGCG, a green tea polyphenol, as a modulator of in vitro methylglyoxal-induced Tau glycation and its impact on reducing advanced glycation end products in neuroblastoma cells. We unravel unprecedented function of EGCG in remodeling neuronal cytoskeletal integrity.}, keywords = {Alzheimer{\textquoteright}s disease, tau glycation, Tau glycation inhibition, tau protein, Tau PTMs}, isbn = {1949-2553}, doi = {10.18632/oncotarget.27963}, author = {Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose} } @article {46660, title = {Estimation of reaction kinetics for aromatic and heterocycles nitration in mixed acids through computational chemistry approach}, journal = {International Journal of Chemical Kinetics}, volume = {53}, year = {2021}, month = {MAR}, pages = {319-332}, type = {Article}, abstract = {
Nitration of aromatic compounds and heterocycles in mixed acid environment is one of the regularly performed large-scale reactions in the chemical industry. Although the reaction mechanism of nitration of aromatics in mixed acid is well established, the development of a methodology for the evaluation of kinetics of exothermic aromatic nitrations in a simplified and accurate way is necessary. Here we evaluate the applicability of a kinetic evaluation methodology based on Hammett{\textquoteright}s acidity function, acidity function, and empirical activity coefficient for the nitration reaction. The contributions from the functional groups on the aromatic ring and quantitative structure-activity relationships technique are considered for these evaluations. Natural bond orbital and magnetic index nucleus independent chemical shift analyses were carried out to obtain the substitution constants. The rate constant and activation energy values were evaluated at various temperatures and sulfuric acid strengths. The results were validated by comparing with the experimental data from the literature for several molecules. The effect of various functional groups (viz carbonyl, carboxyl, methyl, and amine) substituted on the benzene ring was also evaluated. For a few identified substrates, the data were used for estimation of residence time needed for complete conversion in continuous stirred tank reactor and in a plug flow reactor to quantify the effect of substitution constant and strength of sulfuric acid. The approach will help select a suitable reactor.
}, keywords = {Aromatic nitration, computational chemistry, Hammett analogy, mixed acids, Reaction kinetics, reactor selection}, issn = {0538-8066}, doi = {10.1002/kin.21445, Early Access Date = OCT 2020}, author = {Jadhav, Pandurang M. and Pandey, Raj K. and Kulkarni, Amol A.} } @article {47617, title = {Evaluation of biocompatibility of synthesized low molecular weight PLGA copolymers using zinc L-proline through green route for biomedical application}, journal = {Polymers for Advanced Technologies}, volume = {32}, year = {2021}, month = {NOV}, pages = {4502-4515}, type = {Article}, abstract = {Poly(lactide-co-glycolide) (PLGA) copolymers were synthesized by ring opening polymerization in presence of zinc proline and stannous octoate in bulk through green route and were designated as PLGA-1 and PLGA-2 respectively. These copolymers were characterized using NMR, SEC, DSC, X-ray and MALDI-TOF analysis. For the first time, the low molecular weight of PLGA (similar to 11,000 Da) was mainly targeted to explore acute oral toxicity in the presence of zinc L-proline and stannous octoate. The haemolysis and cell viability assay were carried out for in-vitro cytotoxicity assessment. Haemolysis assay of PLGA-2 was confirmed and haemolytic potential exceeded limit of American society of testing of material standard. The cell viability study using fibroblast cell lines (NIH3T3), exhibited statistically significant difference in results between PLGA-1 and PLGA-2. The acute toxicity study was performed in Balb/c mice for biomarker, hematological and histopathological analysis. No mortality was observed during the entire observation period, and no macroscopic change of the organs was observed in PLGA-1 treated group where PLGA-2 treated group showed sign of toxicity. The results obtained from in-vitro and in-vivo studies suggested that PLGA-2 was toxic whereas PLGA-1 was nontoxic in nature. Therefore, PLGA-1 can be regarded as biocompatible biomaterials for potential for drug delivery and biomedical application.}, keywords = {OECD-420, poly (lactide-co-glycolide), ring opening polymerization, Stannous octoate, zinc L-Proline}, issn = {1042-7147}, doi = {10.1002/pat.5452}, author = {Giram, Prabhanjan S. and Garnaik, Baijayantimala} } @article {47454, title = {Evidence of an nN(amide) {\textrightarrow} π*Ar interaction in N-Alkyl-N,N'-diacylhydrazines}, journal = {Organic letters}, volume = {23}, year = {2021}, month = {MAY}, pages = {7003-7007}, type = {Article}, abstract = {
1,2-Dibenzoyl-1-tert-butylhydrazine (RH-5849) and related\ N-alkyl-N,N'-diacylhydrazines are environmentally benign insect growth regulators. Herein, we show that an unusual nN(amide) {\textrightarrow} π*Ar\ interaction mediated by a hydrazide amide nitrogen atom plays a crucial role in stabilizing their biologically active trans{\textendash}cis (t{\textendash}c) rotameric conformations. We provide NMR and IR spectroscopic evidence for the presence of these interactions, which is also supported by X-ray crystallographic and computational studies.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c00834}, author = {Deka, Jugal Kishore Rai and Sahariah, Biswajit and Sakpal, Sushil S. and Bar, Arun Kumar and Bagchi, Sayan and Sarma, Bani Kanta} } @article {47067, title = {Exceptional capacitance enhancement of a non-conducting COF through potential-driven chemical modulation by redox electrolyte}, journal = {Advanced Energy Materials}, volume = {11}, year = {2021}, month = {APR}, pages = {2003626}, type = {Article}, abstract = {
Capacitors are the most practical high-storage and rapid charge-release devices. The number of ions stored per unit area and their interaction strength with the electrode dictates capacitor-performance. Microporous materials provide a high storage surface and optimal interactions. Adsorbing electron-rich and easily polarizable molecules into microporous electrodes is expected to boost Faradaic pseudo-activity. If such electrode-electrolyte interactions can be made as a potential-driven reversible process, the resulting capacitors would be adaptable and device-friendly. A composite covalent organic framework (COF)-carbon electrode with redox-active KI is combined in an H2SO4 electrolyte for the first time. This composite electrode benefits from the redox-functionality of COF and electronic conductivity of carbon, leading to superior capacitative activity. Operando spectro-electrochemical measurements reveal the existence of multiple polyiodide species, although the I-3(-) is the predominantly electroactive species adsorbing on the microporous triazine-phenol COF electrode. A systematic fabrication of the flexible solid-state devices using the COF-redox-electrolyte reveals a high areal capacitance of 270 +/- 11 mF cm(-2) and gravimetric capacitance of 57 +/- 8 F g(-1). The inclusion of KI in H2SO4 (electrolyte) yields an approximately eight-fold enhancement in solid-state gravimetric specific capacitance. The imine-COF retains 89\% of its capacity even after 10 000 cycles.
}, keywords = {covalent organic frameworks, polyiodide, redox electrolytes, solid\&\#8208, state capacitors, Supercapacitors}, issn = {1614-6832}, doi = {10.1002/aenm.202003626, Early Access Date = FEB 2021}, author = {Kushwaha, Rinku and Haldar, Sattwick and Shekhar, Pragalbh and Krishnan, Akshara and Saha, Jayeeta and Hui, Pramiti and Vinod, Chathakudath Prabhakaran and Subramaniam, Chandramouli and Vaidhyanathan, Ramanathan} } @article {47501, title = {Excimer to exciplex transition through realization of donor-acceptor interactions in luminescent solvent-free liquids}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {JUN}, pages = {10780-10784}, type = {Article}, abstract = {Luminescent solvent-free organic liquids are known for their enhanced quantum yield, color tunability, and availability of a matrix for other dopants to generate hybrid luminescent materials with improved features for newer applications. Herein, we report a donor-acceptor based luminescent {\textquoteleft}{\textquoteleft}exciplex liquid{\textquoteright}{\textquoteright} by utilizing the slightly different electron affinity of the acceptor molecules. A red-shifted broad exciplex emission exhibited by the donor-acceptor pair even at a lower concentration of the acceptor (0.001 equiv.) indicates high efficiency in the solvent-free state. A detailed NMR study revealed weak intermolecular interactions between the donor and acceptor in the solvent-free matrix that stabilizes the exciplex liquid. The failure of structurally similar solid counterparts to form an exciplex confirms the advantage of the available supportive liquid matrix. Besides, the luminescent exciplex liquid is found efficient in sensing application, which is unachievable by either the individual liquids or their solid counterparts. Here, a transition of a donor-acceptor pair from a solid to solvent-free liquid results in a new hybrid liquid that can be an alternative for solid sensor materials.}, issn = {2040-3364}, doi = {10.1039/d1nr02190g, Early Access Date = MAY 2021}, author = {Wakchaure, Vivek Chandrakant and Goudappagouda and Das, Tamal and Ravindranathan, Sapna and Babu, Sukumaran Santhosh} } @article {47059, title = {Exploring edge functionalised blue phosphorene nanoribbons as novel photocatalysts for water splitting}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {FEB}, pages = {3570-3580}, type = {Article}, abstract = {
Hydrogen gas, a highly combustible and eco-friendly fuel is stealing the limelight and its production is one of the major areas of research. An efficient and green method for producing clean hydrogen gas with no harmful by-product is water splitting. With the introduction of low dimensional materials, water splitting has become an easier and cost-effective process. The present work demonstrates the application of one such low dimensional material viz., edge functionalised Blue Phosphorene Nano-Ribbons (BPNRs) as potential photocatalysts. With a carrier mobility of 10(3) cm(2) V-1 s(-1) and a band gap of 1.5-3.0 eV, BPNRs are an attractive candidate for photocatalysis. BPNRs with different edge oreintations, viz. zigzag and armchair are functionalised with CH3O, COOCH3, CHO, COOH, OH, NH2, CONH2, SH, C6H5, and NO2 groups. Their performance towards activating water molecules at different sites on the nanoribbon is studied. The functionalised edges of the BPNRs are the active sites showing similar to 1.2\% to 3.2\% efficiency in activating the O-H bond of the water molecule. Among the different groups explored, CONH2 functionalised zigzag BPNR clearly exhibits a higher potential towards the adsorption of water molecules (-0.98 eV) and activation of O-H bonds with an elongation of 3.2\% and a red shift of 500.6 cm(-1). This is attributed to the lone pair of electrons on the nitrogen atom contributing to the electron donating nature of the CONH2 functional group.
}, issn = {1144-0546}, doi = {10.1039/d0nj03950k}, author = {Maibam, Ashakiran and Chakraborty, Debalina and Joshi, Krati and Krishnamurty, Sailaja} } @article {47111, title = {Expression, purification and crystallization of Asrij, A novel scaffold transmembrane protein}, journal = {Journal of Membrane Biology}, volume = {254}, year = {2021}, month = {FEB}, pages = {65-74}, type = {Article}, abstract = {
Asrij/OCIAD1 is a scaffold transmembrane protein belonging to the Ovarian Carcinoma Immunoreactive Antigen Domain containing protein family. In Drosophila and mouse models, Asrij localizes at the endosomal and mitochondrial membrane and is shown to regulate the stemness of hematopoietic stem cells. Interaction of Asrij with ADP Ribosylation Factor 1 (Arf1) is shown to be crucial for hematopoietic niche function and prohemocyte maintenance. Here, we report the heterologous expression, standardization of detergents and purification methodologies for crystallization of Asrij/OCIAD1. To probe the activity of bacterially expressed Asrij, we developed a protein complementation assay and conclusively show that Asrij and Arf1 physically interact. Further, we find that sophorolipids improve the solubility and monodispersibility of Asrij. Hence, we propose that sophorolipids could be novel additives for stabilization of membrane proteins. To our knowledge, this is the first study detailing methodology for the production and crystallization of a heterologously expressed scaffold membrane protein and will be widely applicable to understand membrane protein structure and function. Graphic
}, keywords = {Asrij/OCIAD1, Membrane protein crystallography, sophorolipids}, issn = {0022-2631}, doi = {10.1007/s00232-020-00166-7, Early Access Date = JAN 2021}, author = {Motiwala, Zenia and Darne, Priti and Prabhune, Asmita and Inamdar, Maneesha S. and Kulkarni, Kiran} } @article {47371, title = {Extracellular HDAC6 ZnF UBP domain modulates the actin network and post-translational modifications of Tau}, journal = {Cell Communication and Signaling}, volume = {19}, year = {2021}, month = {MAY }, pages = {49}, type = {Article}, abstract = {
Background: Microtubule-associated protein Tau undergoes aggregation in Alzheimer{\textquoteleft}s disease (AD) and a group of other related diseases collectively known as Tauopathies. In AD, Tau forms aggregates, which are deposited intracellularly as neurofibrillary tangles. Histone deacetylase-6 (HDAC6) plays an important role in aggresome formation, where it recruits polyubiquitinated aggregates to the motor protein dynein. Methods: Here, we have studied the effects of HDAC6 ZnF UBP on Tau phosphorylation, ApoE localization, GSK-3 beta regulation and cytoskeletal organization in neuronal cells by immunocytochemical analysis. This analysis reveals that the cell exposure to the UBP-type zinc finger domain of HDAC6 (HDAC6 ZnF UBP) can modulate Tau phosphorylation and actin cytoskeleton organization. Results: HDAC6 ZnF UBP treatment to cells did not affect their viability and resulted in enhanced neurite extension and formation of structures similar to podosomes, lamellipodia and podonuts suggesting the role of this domain in actin re-organization. Also, HDAC6 ZnF UBP treatment caused increase in nuclear localization of ApoE and tubulin localization in microtubule organizing centre (MTOC). Therefore, our studies suggest the regulatory role of this domain in different aspects of neurodegenerative diseases. Upon HDAC6 ZnF UBP treatment, inactive phosphorylated form of GSK-3 beta increases without any change in total GSK-3 beta level. Conclusions: HDAC6 ZnF UBP was found to be involved in cytoskeletal re-organization by modulating actin dynamics and tubulin localization. Overall, our study suggests that ZnF domain of HDAC6 performs various regulatory functions apart from its classical function in aggresome formation in protein misfolding diseases.
}, keywords = {Actin, Cytoskeleton, HDAC6, Microtubule, neurodegeneration, Phosphorylation, Podonut, Podosomes, Tau, Tauopathies}, doi = {10.1186/s12964-021-00736-9}, author = {Balmik, Abhishek Ankur and Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose} } @article {47639, title = {Fabrication of bacterial nanocellulose/polyethyleneimine (PEI-BC) based cationic adsorbent for efficient removal of anionic dyes}, journal = {Journal of Polymer Research}, volume = {28}, year = {2021}, month = {SEP}, pages = {354}, type = {Article}, abstract = {A bacterial cellulose (BC) based adsorbent was prepared by using polyethyleneimine (PEI) using epichlorohydrin as a cross-linker. The physicochemical characterization of the of the developed adsorbent was carried out using FTIR, BET analysis and SEM, respectively. The dye removal efficiency of the adsorbent was assessed towards two anionic model dyes viz. congo red (CR) and reactive red 120(RR). The kinetic data for the removal of both the anionic dyes were fitted better using pseudo-second-order model. Langmuir model describes well the process of adsorption with predicted maximum adsorption capacity (q(max)) 515.46 and 300.3 mg L-1 for CR (at pH 6.0) and RR (at pH 3.0) respectively. The adsorption-desorption study showed that PEI-BC adsorbent is effective with more than 90\% dye removal efficiency even after four cycles. Furthermore, the bactericidal activity of the adsorbent was analysed using Escherichia coli and Staphylococcus aureus and adsorbent showed good inhibition against both test organisms. The study reveals that PEI-BC adsorbent can be a good candidate for water remediation purpose bearing multifunctional behaviour.}, keywords = {adsorbent, Anionic dyes, Bacterial cellulose, Bactericidal, Polyethyleneimine}, issn = {1022-9760}, doi = {10.1007/s10965-021-02702-y}, author = {Thorat, Meghana N. and Jagtap, Ashish and Dastager, Syed G.} } @article {47030, title = {Fabrication of high energy density supercapacitor device based on hollow iridium oxide nanofibers by single nozzle electrospinning}, journal = {Applied Surface Science}, volume = {546}, year = {2021}, month = {APR }, pages = {149102}, type = {Article}, abstract = {
Herein, we have synthesized iridium oxide (IrO2) nanofibers using electrospinning technique and optimization of annealing temperature is undertaken in order to obtain high quality IrO2 nanofibers. The annealing temperature is varied as 200, 300, 400 and 500 degrees C. The synthesized material has hollow nanofibrous morphology with average diameter similar to 45 nm. The formed nanofibers are amorphous in nature. The X-ray Photoelectron Spectroscopy (XPS) result revealed that synthesized iridium is in +4 oxidation state. The electrochemical performance of IrO2 electrodes showed 2 V potential window in three electrode system using 1 M Sodium sulphate (Na2SO4) aqueous electrolyte. The maximum specific capacitance is obtained for sample annealed at 400 degrees C (705F/g at 1 mA/cm(2)) which is due to the well-developed morphology with complete removal of polymer content. Moreover, a novel solid state symmetric IrO2/IrO2 supercapacitor with a high operating voltage of 2 V is built. The symmetric supercapacitor exhibits an energy density of 59 Wh/kg at a power density of 714 W/kg and an excellent cycling stability. These results demonstrate the potentialities of using IrO2 for symmetric supercapacitor for building high energy and power density devices.
}, keywords = {Aqueous electrolyte, Hollow iridium oxide nanofibers, Symmetric supercapacitor}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.149102}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Patil, D. S. and Pawar, S. A. and Shin, J. C. and Patil, P. S.} } @article {47384, title = {Facile access to functional polyacrylates with dual stimuli response and tunable surface hydrophobicity}, journal = {Polymer Chemistry}, volume = {12}, year = {2021}, month = {MAY }, pages = {3042-3051}, type = {Article}, abstract = {
Magnetically separable and reusable Ni-Co alloy nanoparticles were employed to achieve ambient temperature reversible deactivation radical polymerization (RDRP) of methyl acrylate (MA), for the first time, yielding well-defined PMA (at least up to 124 500 g mol(-1)) with a low dispersity (D \<= 1.20). The controlled polymerization character of RDRP of MA was confirmed from the linear semilogarithmic plot exhibiting pseudo first order kinetics, a linear increase of the molecular weight of the polymer with monomer conversion maintaining low D and the synthesis of PMAs of varying molecular weights from 2200 to 124 500 g mol(-1) with low D. In addition, linear PMA-Br was used as a macroinitiator for the synthesis of several well-defined PMA-b-poly(M) block copolymers (where {\textquoteleft}{\textquoteleft}M{\textquoteright}{\textquoteright} stands for (2-dimethylamino)ethyl methacrylate (DMAEMA), tert-butyl methylacrylate (TBMA) and 2,2,3,3,4,4,5,5-octafluoropentyl acrylate (OFPA)), with acceptable Ds (\<= 1.24), demonstrating the high chain-end fidelity of the macroinitiator. The synthesized PMA-b-PDMAEMA demonstrated dual pH- and thermo-responsive properties. Upon hydrolysis, the synthesized PMA-b-PTBMA leads to the formation of unprecedented carboxylic acid-functionalized PMA derivatives. PMA-b-POFPA copolymers with varying OFPA mol\% in the copolymer led to polymers with tunable surface hydrophobicity, as revealed by the water contact angle measurements.
}, issn = {1759-9954}, doi = {10.1039/d1py00378j, Early Access Date = APR 2021}, author = {Mohammad, Sk Arif and Dolui, Subrata and Kumar, Devendra and Mane, Shivshankar R. and Banerjee, Sanjib} } @article {47052, title = {Facile synthesis of CNT interconnected PVP-ZIF-8 derived hierarchically porous Zn/N co-doped carbon frameworks for oxygen reduction dagger}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {MAR}, pages = {6248-6258}, type = {Article}, abstract = {
In this work, a strategy has been adopted to construct an architecture through the coordination of polyvinylpyrrolidone (PVP) and a monodisperse zeolitic imidazolate framework (ZIF-8), which was entwined by carbon nanotubes (CNTs) firstly, followed by a pyrolysis process to obtain the hybrid catalyst. The meticulous design of the hybrid material using CNTs to interconnect the PVP assisted ZIF-8 derived porous carbon frameworks together produces a hierarchical pore structure and dual-heteroatom (Zn/N) doping (Zn-N/PC@CNT). Without further acid treatment, the hybrid material prepared after pyrolysis at 900 degrees C (PVP-ZIF-8@CNT-900) has been demonstrated as an efficient non-precious metal catalyst for the oxygen reduction reaction (ORR) with its superior stability compared to the commercial 20 wt\% Pt/C catalyst in alkaline media. The catalyst shows better performance towards the ORR, with its more positive onset and half-wave potentials (E-onset = 0.960 V vs. RHE and E-1/2 = 0.795 V vs. RHE) than the counterpart system which is free of both CNT and PVP. The high performance of the hybrid catalyst can be ascribed to the co-existence of dual-active sites with hierarchical pore structures originating from the synergistic effects between Zn/N co-doped porous carbon and CNTs. We further demonstrated the single-cell performance by using the homemade system as the cathode catalyst for the Alkaline Exchange Membrane Fuel Cell (AEMFC) system, which showed a maximum power density of 45 mW cm(-2) compared to 60 mW cm(-2) obtained from the 40 wt\% Pt/C catalyst.
}, issn = {2040-3364}, doi = {10.1039/d0nr09156a, Early Access Date = FEB 2021}, author = {Singla, Gourav and Bhange, Siddheshwar N. and Mahajan, Mani and Kurungot, Sreekumar} } @article {47620, title = {Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {JUL 21}, pages = {6160-6169}, type = {Article}, abstract = {Chemo-, regio- and diastereoselective coupling reactions of indole with imide derivatives leading to unique heterocyclic systems are demonstrated. Acid-induced 3-position coupling reactions of indole with cyclic imide derived lactamols followed by acid promoted 2-position cyclizations with the corresponding aldehydes are described to obtain the indolizinoindolones and benzoindolizinoindolones. Base induced 2-position coupling reactions of N-tosylindole with N-(2-iodoethyl)imides and the subsequent cyclizations provide indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and indolyloxazoloisoindolone. Reductive cleavage of indolyloxazoloisoindolone to the corresponding alcohol followed by mesylation and base promoted N-cyclization affords the in situ air-oxidized pentacyclic product hydroxyisoindolopyrazinoindolone. A regioisomeric structural revision of the natural product from 1,2,5,6,7,11c-hexahydro-3H-indolizino[7,8-b]indol-3-one to 1,2,5,6,11,11b-hexahydro-3H-indolizino(8,7-b)indol-3-one is also reported in the present studies focussed on the methodologies for heterocyclic synthesis.}, issn = {1477-0520}, doi = {10.1039/d1ob00754h}, author = {Shelar, Santosh V. and Argade, Narshinha P.} } @article {47028, title = {Facile transfer of excited electrons in Au/SnS2 nanosheets for efficient solar-driven selective organic transformations}, journal = {Applied Catalysis B-Environmental}, volume = {286}, year = {2021}, month = {JUN }, pages = {119927}, type = {Article}, abstract = {
Solar driven aerial oxidation processes have gained importance in organic transformations leading to the development of many nanocrystalline photocatalysts. Although such nanomaterials have many potential advantages, they often underperform due to poor visible light absorption and rapid recombination of excitons. Incorporation of plasmonic nanoparticles (NPs) on the catalyst surfaces can extend their response to visible light and improve photocatalytic efficiency by the {\textquoteleft}hot-electron{\textquoteright} injection mechanism. Nanostructures of SnS2 too absorb a part of the visible light to induce many photocatalytic reactions, though their ability to perform the selective and controlled organic transformations has not yet been observed. Herein, we demonstrate the first example of such transformation with the oxidative coupling of various benzylamine (BA) derivatives to imines under ambient conditions using SnS2 nanosheets (NSs). The reaction rate improves manifold and shows similar to 98 \% conversion (\>99 \% selectivity) in 2 h under direct sunlight and open-air when the NSs were decorated with 1.5 wt\% Au NPs on (Au/SnS2), making it one of the best catalysts for this reaction. We found that the large enhancement in activity upon Au loading is accompanied by a noticeable change in photo-induced charge accumulation behaviour in Au/SnS2 from the usual {\textquoteleft}{\textquoteleft}spike and overshoot{\textquoteright}{\textquoteright} one and contributed by facile transfer of excited electrons across the Au-SnS2 heterojunction in which Au NPs act as both sources and sinks for the photo-excited electrons. Finally, a detailed mechanism of the oxidation reaction has been proposed.
}, keywords = {Benzylamine oxidation, Hot-electron injection, Plasmonic nanoparticle, SnS2 nanosheet, Solar energy harvesting}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2021.119927}, author = {Mondal, Sanjit and Sahoo, Lipipuspa and Vinod, C. P. and Gautam, Ujjal K.} } @article {47414, title = {Finite temperature behavior of carbon atom-doped silicon clusters: depressed thermal stabilities, coexisting isomers, reversible dynamical pathways and fragmentation channels}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {MAY}, pages = {8217-8227}, type = {Article}, abstract = {
Silicon carbide clusters are significant due to their predominant occurrence in meteoric star dust, particularly in carbon-rich asymptotic giant branch stars. Of late, they have also been recognized as nanoclusters with potential applications in technology. Them both being elements of the same group, there is excellent potential for precise control over the physico-chemical properties of such molecular length-scale materials through atomic engineering and this has been explored recently by various experimentalists. This report simulates one of the significant physical properties, viz. conformational stability, of various carbon-doped silicon clusters as a function of temperature using Born-Oppenheimer molecular dynamics methodology. Single carbon atom-doped silicon clusters with 4-9 atoms (i.e., Si3C-Si8C) are chosen for this study as the gas phase geometries of these clusters have been characterized using a combination of experimental and theoretical methods in the recent past. The simulations ratify that various conformations do not interconvert among themselves at 300 K. The interconversion occurs at 500 K or above, thereby ratifying the possibility of the coexistence of multiple conformations of a given cluster, which are generally synthesized under subroom temperature conditions. Furthermore, the above single carbon atom-doped silicon clusters: (a) have depressed thermal stabilities as compared to their pristine counterparts with the exception of a Si5C conformation; (b) undergo multifarious evolution of the cluster, through the reversible dynamical and fragmentation pathways as a function of temperature and (c) single carbon atom-doped silicon clusters with 7 atoms (starting from Si6C) and above undergo a fragmentation at nearly 2000 K. The underlying electronic and structural properties of various clusters are discussed to explain the above observations with a note on critical fragmentation energy barriers required for the segmentation of clusters with seven or more atoms.
}, issn = {1144-0546}, doi = {10.1039/d0nj04515b, Early Access Date = MAR 2021}, author = {Joshi, Krati and Maibam, Ashakiran and Krishnamurty, Sailaja} } @article {47747, title = { Flexible energy harvester from an organic ferroelectric ammonium salt}, journal = {Chemistry-An Asian Journal}, volume = {16}, year = {2021}, month = {DEC }, pages = {4122-4129}, type = {Article}, abstract = {Organic ferroelectrics due to their low cost, easy preparation, light weight, high flexibility and phase stability are gaining tremendous attention in the field of portable electronics. In this work, we report the synthesis, structure and ferroelectric behavior of a two-component ammonium salt 2, containing a bulky [Bn(4-BrBn)NMe2](+) (Bn=benzyl and 4-BrBn=4-bromobenzyl) cation and tetrahedral (BF4)(-) anion. The structural analysis revealed the presence of rich non-classical C-H...F and C-H...Br interactions in this molecule that were quantified by Hirshfeld surface analysis. The polarization (P) vs. electric field (E) hysteresis loop measurements on 2 gave a remnant polarization (P-r) of 14.4 mu C cm(-2) at room temperature. Flexible polymer composites with various (5, 10, 15 and 20) weight percentages (wt\%) of 2 in thermoplastic polyurethane (TPU) were prepared and tested for mechanical energy harvesting applications. A notable peak-to-peak output voltage of 20 V, maximum current density of 1.1 mu A cm(-2) and power density of 21.1 mu W cm(-2) were recorded for the 15 wt\% 2-TPU composite device. Furthermore, the voltage output generated from this device was utilized to rapidly charge a 100 mu F capacitor, with stored energies and measured charges of 156 mu J and 121.6 mu C, respectively.}, keywords = {Dielectric, energy harvesting, ferroelectricity, organic composites, piezoelectric}, issn = {1861-4728}, doi = {10.1002/asia.202101128}, author = {Gupta, Rishabh and Sahoo, Supriya and Deswal, Swati and Kothavade, Premkumar and Dixit, Prashant and Zareba, Jan K. and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {47441, title = {Flexible metallized carbon nanofibers decorated with two-dimensional NiGa2S4 nanosheets as supercapacitor electrodes}, journal = {Chemical Engineering Journal }, volume = {420}, year = {2021}, month = {SEP }, pages = {130497}, type = {Article}, abstract = {
Herein, high-power flexible supercapacitor electrodes were fabricated by decorating Ni-electroplated carbon nanofibers (Ni@CNF) with two-dimensional NiGa2S4\ nanosheets. The electrical conductivity of carbon nanofibers was enhanced by the addition of nickel, and the energy storage capability was enhanced by decoration with NiGa2S4. The impact of metal (Ni/Ga) ratio on the overall electrochemical performance of the supercapacitor was studied by varying the Ga concentration. The NiGa2S4\ nanosheets promoted diffusion of the electrolyte into the electrode, thereby improving the electrochemical activity. The nanosheets also intensified the charge transfer rate within the composite electrode, which contributed to the overall improvement in the electrochemical performance. The optimal Ga concentration was the concentration at which the specific capacitance was the highest at 488 F{\textperiodcentered}g-1\ with a potential window of 1.1\ V and current rate of 0.5 A{\textperiodcentered}g-1. The long-term stability test revealed that the capacitance retention of the electrode with this optimal Ni/Ga ratio was 109\% after 20,000 cycles. This flexible supercapacitor electrode was subjected to 2000 bending cycles, and the corresponding cyclic voltammetry performance was assessed. In combination, the outstanding electrochemical performance and durable mechanical properties render the NiGa2S4/Ni@CNF electrode highly suitable for flexible energy storage applications.
}, doi = {10.1016/j.cej.2021.130497}, author = {Kim, Yongil and Samuel, Edmund and Joshi, Bhavana and Park, Chanwoo and Lee, Hae-Seok and Yoon, Sam S.} } @article {47694, title = {FnCas9-based CRISPR diagnostic for rapid and accurate detection of major SARS-CoV-2 variants on a paper strip}, journal = {eLife}, volume = {10}, year = {2021}, month = {JUN }, pages = {e67130}, type = {Article}, abstract = {The COVID-19 pandemic originating in the Wuhan province of China in late 2019 has impacted global health, causing increased mortality among elderly patients and individuals with comorbid conditions. During the passage of the virus through affected populations, it has undergone mutations, some of which have recently been linked with increased viral load and prognostic complexities. Several of these variants are point mutations that are difficult to diagnose using the gold standard quantitative real-time PCR (qRT-PCR) method and necessitates widespread sequencing which is expensive, has long turn-around times, and requires high viral load for calling mutations accurately. Here, we repurpose the high specificity of Francisella novicida Cas9 (FnCas9) to identify mismatches in the target for developing a lateral flow assay that can be successfully adapted for the simultaneous detection of SARS-CoV-2 infection as well as for detecting point mutations in the sequence of the virus obtained from patient samples. We report the detection of the S gene mutation N501Y (present across multiple variant lineages of SARS-CoV-2) within an hour using lateral flow paper strip chemistry. The results were corroborated using deep sequencing on multiple wild-type (n = 37) and mutant (n = 22) virus infected patient samples with a sensitivity of 87\% and specificity of 97\%. The design principle can be rapidly adapted for other mutations (as shown also for E484K and T716I) highlighting the advantages of quick optimization and roll-out of CRISPR diagnostics (CRISPRDx) for disease surveillance even beyond COVID-19. This study was funded by Council for Scientific and Industrial Research, India.}, issn = {2050-084X}, doi = {10.7554/eLife.67130}, author = {Kumar, Manoj and Gulati, Sneha and Ansari, Asgar H. and Phutela, Rhythm and Acharya, Sundaram and Azhar, Mohd and Murthy, Jayaram and Kathpalia, Poorti and Kanakan, Akshay and Maurya, Ranjeet and Vasudevan, Janani Srinivasa and Aparna, S. and Pandey, Rajesh and Maiti, Souvik and Chakraborty, Debojyoti} } @article {47664, title = {Formal synthesis of (-)-quinagolide: diastereoselective ring expansion via a bicyclic aziridinium ion strategy to access the octahydrobenzo[g]quinoline architecture}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {JUL }, pages = {9344-9352}, type = {Article}, abstract = {The diastereoselective formal synthesis of (-)-quinagolide, a D-2 receptor agonist, has been achieved. The synthesis started from L-pyroglutamic acid and relied on utilization of (a) a stereospecific catalytic hydrogenation and diastereoselective Horner-Emmons-Michael cascade to obtain functionalized prolinate, (b) a Lewis acid mediated Pummerer cyclization to construct a tricyclic fused ring system, and (c) a diastereoselective ring expansion via a bicyclic aziridinium intermediate to access the required 3-substituted piperidine scaffold.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00603}, author = {Chavan, Subhash P. and Kawale, Sanket A. and Pisal, Mahesh M. and Kadam, Appasaheb L. and Gonnade, Rajesh G.} } @article {47347, title = {Functional insights into two Ocimum kilimandscharicum 4-coumarate-CoA ligases involved in phenylpropanoid biosynthesis}, journal = {International Journal of Biological Macromolecules}, volume = {181}, year = {2021}, month = {JUN }, pages = {202-210}, type = {Article}, abstract = {
Plant 4-coumarate-CoA ligase (4CL) catalyzes the ligation of CoA to cinnamic acid and its derivatives. Activated CoA esters are utilized for the biosynthesis of phenolic metabolites and lignin that play essential function in plants. Here, we characterize the diversity of Ocimum kilimandscharicum 4CLs (Ok4CLs). Phylogenetic analysis suggest that Ok4CLs could be grouped into three classes, class I -enzymes mostly involved in lignin biosynthesis, class II -non-structural phenylpropanoid biosynthesis and class III -yet to be characterized for specific role(s). We selected two Ok4CLs namely Ok4CL7 and Ok4CL15 for further characterization. Gene expression analysis sug-gested that Ok4CL7 is highly expressed in leaf trichomes, whereas Ok4CL15 is abundant in the roots. The recom-binant Ok4CL7 and Ok4CL15 had optimal enzyme activities at 40 degrees C in pH 8 and 7, respectively. Ok4CL7 showed substrate preference towards p-coumaric acid, ferulic acid and caffeic acid. While, Ok4CL15 preferredp-coumaric acid, ferulic acid and sinapic acid. Feruloyl adenylate showed higher number of contacts and lowers binding en-ergy with Ok4CL7 and 15 compared to cinnamoyl adenylate. Based on root-specific expression and preference for sinapic acid, Ok4CL15 might be involved in lignin biosynthesis. Further exploration is needed to unravel the role of diverse Ok4CLs in O. kilimandscharicum. (c) 2021 Elsevier B.V. All rights reserved.
}, keywords = {4-Coumarate-CoA ligase, Flavonoids, lignin, Ocimum kilimandscharicum, Phenylpropanoids}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2021.03.129}, author = {Lavhale, Santosh G. and Joshi, Rakesh S. and Kumar, Yashwant and Giri, Ashok P.} } @article {47132, title = {Functional metagenomic landscape of polluted river reveals potential genes involved in degradation of xenobiotic pollutants}, journal = {Environmental Research}, volume = {192}, year = {2021}, month = {JAN}, pages = {110332}, type = {Article}, abstract = {
Rapid industrialization contributes substantially to xenobiotic pollutants in rivers. As a result, most of the rivers traversing urban settlements are in significantly deteriorated conditions. These pollutants are recalcitrant, requiring robust catabolic machinery for their complete transformation into bioavailable and non-toxic byproducts. Microbes are versatile dwellers that could adapt to such contaminants by using them as a source of nutrients during growth. However, efficient bioremediation requires an in-depth knowledge of microbial diversity and their metabolism related genes in the polluted niches. We employed MinION shotgun sequencing, to comprehend the biodegradation related genes and their function potential operating in the polluted urban riverine system of Western India. A vast number of catabolic genes were detected for the xenobiotic pollutants such as Benzoate, Nitrotoluene, Aminobenzoate, Drug metabolism, and Polycyclic Aromatic Hydrocarbons. Aerobic, and anaerobic catabolism genes, were mapped for their ability of degradation of xenobiotics. Interestingly, catabolism profiles of multiple aromatic compounds culminated into the Benzoate degradation pathway, suggesting it as a plausible central pathway for the autochthonous bacterial communities. Further mapping with RemeDB database, predicted plastic and dye degrading enzymes. Moreover, the diversity indices for the pollutant degrading enzymes suggested little variations (R-2 value of 18\%) between the city and non-city (outskirts of city limits) riverine stretch indicating the impact of industrialization in the outskirts of the city stretch as well. Altogether, this study would serve as a preliminary baseline for future explorations concerning river cleaning programs and also exploiting such microbes for bioremediation applications.
}, keywords = {Benzoate, Bioremediation, MinION, Riverine system, Xenobiotics}, issn = {0013-9351}, doi = {10.1016/j.envres.2020.110332}, author = {Yadav, Rakeshkumar and Rajput, Vinay and Dharne, Mahesh} } @article {47399, title = {gamma-Al2O3/triflic acid as cooperative catalysts for the tandem Michael addition/carbocyclization: an easy access to 2-substituted pyrrolo[2,1-a]isoquinolines and 3-substituted pyrrolidine-2,5-diones}, journal = {Journal of Heterocyclic Chemistry}, volume = {58}, year = {2021}, month = {JUL}, pages = {1415-1428}, type = {Article}, abstract = {
A tandem Michael addition/carbocyclization of 3,4-dimethoxyphenethyl maleimide with carbon and sulfur nucleophiles is accomplished via a relay catalysis using gamma-Al2O3/TfOH binary system. The X-ray Photoelectron Spectroscopy (XPS) analysis of binary system indicates the presence of AlF3, AlO(OH) species(.) This approach provides an easy access to 2-aryl or 2-thio aryl pyrrolo[2,1-a]isoquinolines in good yields in a tandem fashion. With suitable ratio of gamma-Al2O3/TfOH binary system, the Michael addition of N/C/S nucleophiles to N-benzyl maleimide is also achieved. A key to the success of these reactions would be the generation of AlF3, AlO(OH) species from gamma-Al2O3 and TfOH, which might have delineated the disadvantageous background reactions usually displayed by a strong Bronsted acid such as TfOH.
}, keywords = {1-a]isoquinolines, 3-substituted pyrrolidine-2, 5-diones, carbocyclization, gamma-Al2O3/TfOH binary system, Michael addition, pyrrolo[2}, issn = {0022-152X}, doi = {10.1002/jhet.4266, Early Access Date = APR 2021}, author = {Rao, Ramana Sreenivasa and Sahani, Anita and Ali, Sheikh Haider and Pradhan, Sumanta and Ramanathan, Chinnasamy Ramaraj} } @article {47697, title = {Genome wide analysis of 14-3-3 proteins in Cicer arietinum L. and identification of isoforms responsive to Fusarium oxysporum}, journal = {Current Science}, volume = {121}, year = {2021}, month = {OCT }, pages = {1039-1045}, type = {Article}, abstract = {In the present study, we have identified and characterized two 14-3-3 isoforms, namely isoform A and C from chickpea (Cicer arietinum L.), that might play a crucial role during disease resistance. Further, in silico analysis of these 14-3-3 proteins was accomplished, including motif identification and structure prediction from deduced amino acid sequences. Expression profiling of the two representative 14-3-3 isoforms in the roots of wilt resistant and susceptible chickpea varieties upon Fusarium oxysporum f. sp ciceri race 1 (FOC1) challenge, revealed time dependent isoform specific differential expression in induced chickpea roots upon FOC1 colonization.}, keywords = {Bioinformatics, chickpea 14-3-3s, pathogen responsive, transcriptional analysis}, issn = {0011-3891}, doi = {10.18520/cs/v121/i8/1039-1045}, author = {Gurjar, Gayatri and Nimbalkar, Suhas and Giri, Ashok and Gupta, Vidya} } @article {46917, title = {Gibberellic acid induces unique molecular responses in {\textquoteleft}thompson seedless{\textquoteright} grapes as revealed by non-targeted metabolomics}, journal = {Journal of Plant Growth Regulation}, volume = {40}, year = {2021}, month = {FEB}, pages = {293-304}, type = {Article}, abstract = {
Compact clusters and small berry size are the major problems associated with the commercialization of table grapes. The application of gibberellic acid 3 (GA(3)) has been a long-followed practice to overcome these issues. To analyze the molecular response of {\textquoteleft}Thompson Seedless{\textquoteright} grapes to GA(3) treatment, we investigated the metabolomes of its rachises, clusters, and berries, 6 h and 24 h after the treatment. Metabolite profiling using non-targeted metabolomics approach revealed several metabolites, including arginine, proline, tyrosine, kaempferol, resveratrol, catechin, and so on as possible biomarkers of GA(3) treatment in grapes. GA(3) treatment greatly impacted the alanine, aspartate, and glutamate metabolism pathways, and the GA(3)-mediated alterations in the levels of certain plant growth regulators and primary metabolites were in accordance with important growth and developmental processes in grapes. This study highlights the effect of GA(3) on the profiles of certain polyphenols impacting the flavone and flavonol biosynthesis pathways and hence the nutritional aspect of grapes. The results of this study would be useful to develop self-elongating varieties simplifying the grape cultivation.
}, keywords = {Biosynthetic pathways, GA(3) response, GA(3) signaling, Sultana grapes, Untargeted metabolomics}, issn = {0721-7595}, doi = {10.1007/s00344-020-10102-7, Early Access Date = MAR 2020}, author = {Jadhav, Uma and Mundhe, Swapnil and Kumar, Yashwant and Jogaiah, Satisha and Upadhyay, Anuradha and Gupta, Vidya S. and Kadoo, Narendra Y.} } @article {47802, title = {Gibberellic acid induces unique molecular responses in {\textquoteleft}thompson seedless{\textquoteright} grapes as revealed by non-targeted metabolomics}, journal = {Journal of Plant Growth Regulation}, volume = {40}, year = {2021}, month = {FEB}, pages = {293 - 304}, type = {Article}, abstract = {Compact clusters and small berry size are the major problems associated with the commercialization of table grapes. The application of gibberellic acid 3 (GA3) has been a long-followed practice to overcome these issues. To analyze the molecular response of {\textquoteleft}Thompson Seedless{\textquoteright} grapes to GA3 treatment, we investigated the metabolomes of its rachises, clusters, and berries, 6~h and 24~h after the treatment. Metabolite profiling using non-targeted metabolomics approach revealed several metabolites, including arginine, proline, tyrosine, kaempferol, resveratrol, catechin, and so on as possible biomarkers of GA3 treatment in grapes. GA3 treatment greatly impacted the alanine, aspartate, and glutamate metabolism pathways, and the GA3-mediated alterations in the levels of certain plant growth regulators and primary metabolites were in accordance with important growth and developmental processes in grapes. This study highlights the effect of GA3 on the profiles of certain polyphenols impacting the flavone and flavonol biosynthesis pathways and hence the nutritional aspect of grapes. The results of this study would be useful to develop self-elongating varieties simplifying the grape cultivation.}, isbn = {1435-8107}, doi = {10.1007/s00344-020-10102-7}, author = {Jadhav, Uma and Mundhe, Swapnil and Kumar, Yashwant and Jogaiah, Satisha and Upadhyay, Anuradha and Gupta, Vidya S. and Kadoo, Narendra Y.} } @article {47127, title = {Glucosinolate induces transcriptomic and metabolic reprogramming in Helicoverpa armigera}, journal = {3 Biotech}, volume = {11}, year = {2021}, month = {JAN}, pages = {26}, type = {Article}, abstract = {
Glucosinolates protect plants from herbivory. Lepidopteran insects have developed resistance to glucosinolates which is well studied. However, the molecular effects of glucosinolate intake on insects are unexplored. To elucidate this, we performed transcriptomics and metabolomics of sinigrin-fed Helicoverpa armigera. Transcriptomics exhibits significant dysregulation of 2375 transcripts, of which 1575 are upregulated and 800 downregulated. Gene Ontology analysis of differentially expressed genes reveals that key hydrolases, oxidoreductases, and transferases are majorly affected. The negative impact of sinigrin is significant and localized in the endomembrane system and mitochondria. It also disturbs various biological processes such as regulation of protein metabolism and cytoskeletal organization. Furthermore, H. armigera putative myrosinase-like enzymes may catalyze the breakdown of sinigrin to allyl isothiocyanate (AITC). AITC targets the electron transport chain causing oxidative stress. KEGG pathway enrichment shows significant upregulation of oxidative phosphorylation, glutathione metabolism and amino acid metabolism. Activation of these pathways induces glutathione synthesis for sinigrin detoxification. Differential gene expression indicates upregulation of glutathione S-transferase and succinate dehydrogenase suggesting mitochondrial impact. Transcriptomics data correlated with metabolomics show changes in serine, methionine, ornithine, and other metabolite levels. It corroborates well with the transcript alterations supporting the increased glutathione production. Thus, our data suggest that sinigrin generates oxidative stress in H. armigera and insects alter their metabolic wiring to overcome sinigrin-mediated deleterious effects.
}, keywords = {Detoxification, Glucosinolate, Glutathione, mitochondria, Oxidative stress}, issn = {2190-572X}, doi = {10.1007/s13205-020-02596-5}, author = {Jagdale, Shounak and Tellis, Meenakshi and Barvkar, Vitthal T. and Joshi, Rakesh S.} } @article {47653, title = {Glycerol-triazole conjugated rhodamine as colorimetric and fluorimetric sensor for Cu2+}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {SEP}, pages = {9288-9292}, type = {Article}, abstract = {{A glycerol-triazole tethered rhodamine based colorimetric and fluorimetric sensor 3 {\textquoteleft},6 {\textquoteleft}-bis(diethylamino)-2-(((1-(1,3-dihydroxypropan-2-yl)-1H-1,2,3-triazol-4 -yl)methylene)aminospiro [isoindoline-1,9 {\textquoteleft}-xanthen]-3-one (L1) is designed and synthesized for the selective recognition of Cu2+ ion. The sensor L1 allows naked eye detection of Cu2+ ion with a fast response (<1 min). Among the various metal ions tested, the sensor L1 shows selective binding with Cu2+ through turn-on fluorescence mechanism. The sensor shows 1 : 2 binding stoichiometry with binding constant}, keywords = {Cu2+ Sensor, DFT, Glycerol, Rhodamine B, Triazole}, issn = {2365-6549}, doi = {10.1002/slct.202102145}, author = {Verma, Abhishek and Gahlyan, Parveen and Bawa, Rashim and Dash, Soumya Ranjan and Prasad, Ashok K. and Kumar, Rakesh} } @article {46598, title = {Glycosyltransferases: the multifaceted enzymatic regulator in insects}, journal = {Insect Molecular Biology}, volume = {30}, year = {2021}, month = {APR}, type = {Article}, abstract = {
Glycosyltransferases (GTs) catalyse the reaction of glyco-conjugation of various biomolecules by transferring the saccharide moieties from an activated nucleotide sugar to nucleophilic glycosyl acceptor. In insects, GTs show diverse temporal and site-specific expression patterns and thus play significant roles in forming the complex biomolecular structures that are necessary for insect survival, growth and development. Several insects exhibit GT-mediated detoxification as a key defence strategy against plant allelochemicals and xenobiotic compounds, as well as a mechanism for pesticide cross-resistance. Also, these enzymes act as crucial effectors and modulators in various developmental processes of insects such as eye development, UV shielding, cuticle formation, epithelial development and other specialized functions. Furthermore, many of the known insect GTs have been shown to play a fundamental role in other physiological processes like body pigmentation, cuticular tanning, chemosensation and stress response. This review provides a detailed overview of the multifaceted functionality of insect GTs and summarizes numerous case studies associated with it.
}, keywords = {Allelochemicals, Detoxification, Development, glycosyltransferases (GTs), insects}, issn = {0962-1075}, doi = {10.1111/imb.12686}, author = {Nagare, M. and Ayachit, M. and Agnihotri, A. and Schwab, W. and Joshi, R.} } @article {47351, title = {Gold-catalysed nitroalkyne cycloisomerization - synthetic utility}, journal = {Chemical Record}, volume = {21}, year = {2021}, month = {DEC}, type = {Article}, abstract = {
The gold-catalysed intramolecular redox cyclization of o-alkynylnitrobenzens documented by Professors Naoki Asao and Yoshinori Yamamoto is an important discovery that has opened two complementary research domains. Advancing this cyclization with other metals as well as developing new methods around the products that result from this reaction is one aspect that has seen growing interest. On the other hand, the idea of generating alpha-oxo gold carbenes via oxygen transfer to alkynes has established another important aspect in gold-catalysis. In this account, we will be dealing with the first aspect, which revolves around the internal redox cyclization of nitroalkynes (trivially called as nitroalkyne cycloisomerization), focusing mainly on the gold-complexes and the synthetic methods developed around it from our group and from other groups, and also providing the details of similar transformations documented with other metals so that the complementary reactivity/diversity of these transformations could be appreciated.
}, keywords = {alpha-Oxo Gold Carbene, Anthranil, Gold-catalysis, Internal Redox Cyclization, Isatogen}, issn = {1527-8999}, doi = {10.1002/tcr.202100111, Early Access Date = JUN 2021}, author = {Dhote, Pawan S. and Halnor, Swapnil V. and Ramana, Chepuri V.} } @article {47646, title = {Gold-catalyzed complementary nitroalkyne internal redox process: a DFT study}, journal = {Frontiers in Chemistry}, volume = {9}, year = {2021}, month = {JUL}, pages = {689780}, type = {Article}, abstract = {Gold-catalysis, in this century, is one of the most emerging and promising new areas of research in organic synthesis. During the last two decades, a wide range of distinct synthetic methodologies have been unveiled employing homogeneous gold catalysis and aptly applied in the synthesis of numerous natural products and biologically active molecules. Among these, the reactions involving alpha-oxo gold carbene/alpha-imino gold carbene intermediates are of contemporary interest, in view of their synthetic potential and also due to the need to understand the bonding involved in these complexes. In this manuscript, we document the theoretical investigations on the regio-selectivity dependence of substitution on the gold-catalyzed cycloisomerization of o-nitroarylalkyne derivatives. We have also studied the relative stabilities of alpha-oxo gold carbene intermediates.}, keywords = {alpha-Oxo Gold Carbene, cycloisomerization, DFT calculation, Gold-catalysis, internal redox}, issn = {2296-2646}, doi = {10.3389/fchem.2021.689780}, author = {Vipin Raj, K. and Dhote, Pawan S. S. and Vanka, Kumar and Ramana, Chepuri V. V.} } @article {47460, title = {GPCRs that Rh oar the Guanine nucleotide exchange factors}, journal = {Small GTPases}, year = {2021}, month = {APR}, pages = {1-16}, type = {Article}, abstract = {
Cell migration, a crucial step in numerous biological processes, is tightly regulated in space and time. Cells employ Rho GTPases, primarily Rho, Rac, and Cdc42, to regulate their motility. Like other small G proteins, Rho GTPases function as biomolecular switches in regulating cell migration by operating between GDP bound {\textquoteright}OFF{\textquoteright} and GTP bound {\textquoteright}ON{\textquoteright} states. Guanine nucleotide exchange factors (GEFs) catalyse the shuttling of GTPases from OFF to ON state. G protein-coupled receptors (GPCRs) are the largest family of cell surface receptors that are involved in many signalling phenomena including cell survival and cell migration events. In this review, we summarize signalling mechanisms, involving GPCRs, leading to the activation of RhoGEFs. GPCRs exhibit diverse GEF activation modes that include the interaction of heterotrimeric G protein subunits with different domains of GEFs, phosphorylation, protein-protein interaction, protein-lipid interaction, and/or a combination of these processes.
}, doi = {10.1080/21541248.2021.1896963}, author = {Omble, Aishwarya and Kulkarni, Kiran} } @article {47366, title = {Graphene-based frustrated Lewis pairs as bifunctional catalysts for CO2 reduction via the dissociative chemisorption of molecular H-2: a periodic density functional perspective}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {JUN }, pages = {9959-9966}, type = {Article}, abstract = {
Nanocarbon-based frustrated Lewis pair (FLP) bifunctional catalysts, on account of their unquenched electron transfer property, are becoming increasingly attractive as catalysts for the CO2 reduction reaction via the dissociative chemisorption of H-2. In the present study, we propose a nanocarbon-based FLP catalyst. The pair comprises nitrogen doped/phosphorus doped graphene as Lewis bases and M(C6F5)(3) (M = B, Al, Ga, and In) as Lewis acids. The computational investigation reveals that the carbon atoms adjacent to the doped N and P atoms are the active sites towards the dissociative chemisorption of hydrogen molecule. The analyses of the Bader charges and difference charge densities validate the dissociative chemisorption of H-2 molecule and the fact that a significant electron redistribution promotes the polarization of the hydrogen molecule. Density of states confirms the hybridization between the p-states of the nitrogen/phosphorus atom and the s-state of hydrogen atom in all FLPs. The dissociative chemisorption of hydrogen is noted in all FLP complexes, thereby facilitating a low barrier reaction path for CO2 reduction. Between P-doped and N-doped FLPs, N-doped FLP catalysts prove to be a more promising counterpart with considerably low activation barriers, ranging between 0.01 and 0.11 eV, towards CO2 reduction. Thus, the present study demonstrates the great potential of doped carbon-based FLPs as novel nanostructure catalysts for CO2 reduction via the direct utilization of molecular hydrogen.
}, issn = {1144-0546}, doi = {10.1039/d1nj00970b, Early Access Date = MAY 2021}, author = {Senthamaraikannan, Thillai Govindaraja and Krishnamurty, Sailaja and Kaliaperumal, Selvaraj} } @article {47804, title = {Green antibacterial molecules: sophorolipids with varying fatty acid chain}, journal = {Trends in Biomaterials and Artificial Organs}, volume = {35}, year = {2021}, month = {NOV}, pages = {431+}, type = {Article}, abstract = {Antibiotic resistance is a rising problem of over the last decade making it difficult to treat infections caused by various pathogenic bacteria. To tackle this problem, newer antimicrobial strategies are being explored. Sophorolipids (SLs) are a class of biomolecules produced by a non-pathogenic yeast Starmarella bombicola (S. bombicold) with surfactant as well as potent broad spectrum antibacterial activity. In this work, we have successfully synthesized sophorolipids using different fatty acids with increasing chain length of hydrophobic tail; Lauric acid (C12)-LASL, Myristic acid (C14)-MASL, Palmitic acid (C16)-PASL and Stearic acid (C18)-SASL. We have used various techniques like FTIR, HRMS to characterize the synthesized SL. Further, we have measured properties like the critical micellar concentration for these biosurfactants and the SL{\textquoteright}s showed CMC less than or equal to 100 mg/L indicating excellent surface-active property. We have studied the antibacterial activity against gram-negative and gram-positive bacteria. Interestingly, the antibacterial activity was found to be more potent as the chain length of the fatty acid in the SL decreased. This trend was found to be reverse for toxicity towards mammalian cells. The shorter chain fatty acid SL{\textquoteright}s were found to be less cytotoxic. These results indicate that the sophorolipid candidates with shorter chain lengths would be beneficial for various biomedical applications such as tissue engineering, regenerative medicine and wound healing. Keywords: sophorolipid, biosurfactant, short chain fatty acid, antibacterial}, keywords = {Antibacterial agents, Cells (Biology), Infection, Microbial drug resistance, Saturated fatty acids, Surface active agents}, isbn = {09711198}, url = {https://link.gale.com/apps/doc/A684660702/AONE?u=anon~d0cd1b4e\&sid=googleScholar\&xid=1a6d61d9}, author = {Hirlekar, Swarali and Abhyankar, Isha and Kane, Kartiki and Trimukhe, Kalpana and Prabhune, Asmita and Nisal, Anuya} } @article {47440, title = {Green route for carbonylation of amines by CO2 using Sn-Ni-O bifunctional catalyst and theoretical study for finding best suited active sites}, journal = {Chemical Engineering Journal }, volume = {419}, year = {2021}, month = {SEP}, pages = {129439}, type = {Article}, abstract = {
Reaction between n-alkylamine and CO2\ has gained interest due to the demand for the dialkylurea for various applications. For the first time, the tool\ Mathematica\ was used to analyze the experimental data with an idea to derive an equation which determines the best suited active sites for any given input set of dependent parameters. The equation can further be used to predict the product yield with the known values of active sites for a reaction. Among several Sn containing mixed oxides, Sn-Ni oxide (Sn-Ni-O) was found to be the better performing catalyst. The studies indicate that the formation of new defect sites when NiO and SnO2\ are in the mixed state and possibly a solid solution enhances the catalytic efficiency. There are two main reasons for improved catalytic performance; one, mixing of SnO2\ into NiO which reduces the number of holes (h+) localized on lattice oxygen (O2-+ h+{\textrightarrow} O{\textbullet}-) and two, smaller SnO2\ particles are dispersed on the bigger particle NiO which alters the acidic and basic active sites in the catalyst. FT-IR adsorption study with amine and CO2\ helped in deriving a plausible mechanism for this reaction. Under optimized reaction condition, Sn1.1-Ni-O-600 gave 77.3\% of n-butylamine conversion and 75.7\% of yield for 1,3-dibutylurea. The versatility of the catalyst was tested for carbonylation of different aliphatic and aromatic amines, diamine and hydroxy amine with CO2.
}, keywords = {amines, CO2, Mixed oxide catalyst and bi-functional catalyst, Substituted urea}, issn = {1385-8947}, doi = {10.1016/j.cej.2021.129439}, author = {Kulal, Nagendra and Vetrivel, Rajappan and Gopinath, Chinnakonda S. and Ravindran, Rahul K. and Rao, Vinod N. and Shetty, Manjunath and Shrikanth, R. and Rangappa, Dinesh and Shanbhag, Ganapati V.} } @article {47077, title = {Green synthesis of methoxy-poly(ethylene glycol)-block-poly(l-lactide-co-glycolide) copolymer using zinc proline as a biocompatible initiator for irinotecan delivery to colon cancer in vivo}, journal = {Biomaterials Science}, volume = {9}, year = {2021}, month = {FEB}, pages = {795-806}, type = {Article}, abstract = {
Poly(lactic-co-glycolic acid) (PLGA) is the most commonly described biocompatible copolymer used in biomedical applications. In this work, a green synthetic approach based on the biocompatible zinc proline complex, as an initiator for PLGA synthesis, is reported for the first time for the synthesis of methoxy-poly(ethylene glycol)-block-poly(l-lactic-co-glycolic acid) (mPEG-PLGA). mPEG-PLGA with controlled molecular weight and narrow polydispersity was synthesised. Its potential for delivery of irinotecan (Ir), a poorly water-soluble chemotherapeutic drug used for the treatment of colon and pancreatic cancer, was studied. Nanoparticles of controlled size (140-160 nm), surface charge (similar to-10 mV), release properties and cytotoxicity against CT-26 (colon) and BxPC-3 (pancreatic) cancer cells, were prepared. Tumor accumulation was confirmed by optical imaging of fluorescently labelled nanoparticles. Unlike Tween (R) 80 coated NP-Ir, the Pluronic (R) F-127 coated NP-Ir exhibits significant tumor growth delay compared to untreated and blank formulation treated groups in the CT-26 subcutaneous tumor model, after 4 treatments of 30 mg irinotecan per kg dose. Overall, this proof-of-concept study demonstrates that the newly synthesized copolymer, via a green route, is proven to be nontoxic, requires fewer purification steps and has potential applications in drug delivery.
}, issn = {2047-4830}, doi = {10.1039/d0bm01421d}, author = {Giram, Prabhanjan S. and Wang, Julie Tzu-Wen and Walters, Adam A. and Rade, Priyanka P. and Akhtar, Muhammad and Han, Shunping and Faruqu, Farid N. and Abdel-Bar, Hend M. and Garnaik, Baijayantimala and Al-Jamal, Khuloud T.} } @article {47413, title = {Green synthesis of xanthene and acridine-based heterocycles of pharmaceutical importance: a review}, journal = {Environmental Chemistry Letters}, year = {2021}, month = {MAR}, type = {Review; Early Access}, abstract = {
Xanthene and acridine-based heterocyclic compounds find applications in cancer chemotherapy, biological staining and laser dyes and are known for their antibacterial and anti-tumor properties. Here we review green catalytic routes for the synthesis of 1,8-dioxo-octahydroxanthenes, 1,8-dioxo-decahydroacridines and related heterocyclic molecules with catalysts such as metal oxides, mixed metal oxides, resins, supported organocatalysts, heteropolyacids, carbon-based materials, zeolites, sulfides and ionic liquids. We compare protocols for their catalytic activities, and proposed mechanisms are discussed.
}, keywords = {green chemistry, heterocycles, heterogeneous catalysis, Metal oxides, nanocatalysis}, issn = {1610-3653}, doi = {10.1007/s10311-021-01223-w, Early Access Date = MAR 2021}, author = {Burange, Anand S. and Gadam, Komal G. and Tugaonkar, Prajyot S. and Thakur, Seema D. and Soni, Ravish K. and Khan, Rubej R. and Tai, Mubashira S. and Gopinath, Chinnakonda S.} } @article {47093, title = {Herbicidal bio-assay of isocladosporin enantiomers and determination of its plausible absolute configuration}, journal = {Journal of Antibiotics}, volume = {74}, year = {2021}, month = {APR}, pages = {280-284}, type = {Article}, abstract = {
A fungal metabolite, isocladosporin was isolated from natural fungus, Cladosporium cladosporioides in the mid of 90s. Due to the lack of optical rotation of isolated natural product sample, the absolute configuration of the natural product remained undetermined for more than two decades. Herein, we demonstrated an SAR study of enantiomers of isocladosporin in herbicidal bio-assay against wheat coleoptile. Using this study as a comparative tool we further proposed the plausible absolute configuration of natural isocladosporin for the first time. The assigned configuration was also supported through biogenetic precursors.
}, issn = {0021-8820}, doi = {10.1038/s41429-020-00391-1, Early Access Date = FEB 2021}, author = {Mankad, Yash and Das, Pronay and Pathan, Ejaj and Deshpande, V. M. and Reddy, D. Srinivasa} } @article {47630, title = {Heterogeneous C-H functionalization in water via porous covalent organic framework nanofilms: a case of catalytic sphere transmutation}, journal = {Journal of the American Chemical Society}, volume = {143}, year = {2021}, month = {JUN }, pages = {8426-8436}, type = {Article}, abstract = {Heterogeneous catalysis in water has not been explored beyond certain advantages such as recyclability and recovery of the catalysts from the reaction medium. Moreover, poor yield, extremely low selectivity, and active catalytic site deactivation further underrate the heterogeneous catalysis in water. Considering these facts, we have designed and synthesized solution-dispersible porous covalent organic framework (COF) nanospheres. We have used their distinctive morphology and dispersibility to functionalize unactivated C-H bonds of alkanes heterogeneously with high catalytic yield (42-99\%) and enhanced regioand stereoselectivity (3 degrees:2 degrees = 105:1 for adamantane). Further, the fabrication of catalyst-immobilized COF nanofilms via covalent self-assembly of catalytic COF nanospheres for the first time has become the key toward converting the catalytically inactive homogeneous catalysts into active and effective heterogeneous catalysts operating in water. This unique covalent self-assembly occurs through the protrusion of the fibers at the interface of two nanospheres, transmuting the catalytic spheres into films without any leaching of catalyst molecules. The catalyst-immobilized porous COF nanofilms{\textquoteright} chemical functionality and hydrophobic environment stabilize the high-valent transient active oxoiron(V) intermediate in water and restricts the active catalytic site{\textquoteright}s deactivation. These COF nanofilms functionalize the unactivated C-H bonds in water with a high catalytic yield (45-99\%) and with a high degree of selectivity (cis:trans = 155:1; 3 degrees:2 degrees = 257:1, for cis-1,2-dimethylcyclohexane). To establish this approach{\textquoteright}s {\textquoteleft}{\textquoteleft}practical implementation{\textquoteright}{\textquoteright}, we conducted the catalysis inflow (TON = 424 +/- 5) using catalyst-immobilized COF nanofilms fabricated on a macroporous polymeric support.}, issn = {0002-7863}, doi = {10.1021/jacs.1c02425}, author = {Sasmal, Himadri Sekhar and Bag, Saikat and Chandra, Bittu and Majumder, Poulami and Kuiry, Himangshu and Karak, Suvendu and Sen Gupta, Sayam and Banerjee, Rahul} } @article {47313, title = {Heterogeneous nucleation in citrate synthesis of AgNPs: effect of mixing and solvation dynamics}, journal = {Chemical Engineering Journal}, volume = {421}, year = {2021}, month = {OCT}, type = {Article}, abstract = {
The heterogeneity issues in silver nanoparticle nucleation (Lee-Meisel route) have been investigated. The final polydispersity and sphericity of the nanoparticles in the Lee-Meisel scheme are shown to depend upon the early time dynamics of silver-citrate complexation. The formation of macromolecular intermediary complexes in the early stages of the reaction is visualized based on online DLS data, TEM analysis, and the mass balances of silver and citrate ions. The reversible complexation between citrate ions and silver citrate is shown to be the limiting step that governs the directional growth of the nanoparticles. The dynamics of the complexation of citrate are seen to form a very rapid step and intense mixing was required for the complexation to happen uniformly across the reaction. This specific observation is also confirmed from the MD simulations. Thus, to get particles of high sphericity, irrespective of the reaction concentration, temperature, or reactor geometry, the mixing time should be \<4\ s and\ Da\ ~\ 0.1. Optimal mixing conditions for isotropic growth are suggested based on the reaction kinetics and are also demonstrated with experimental evidence.
}, doi = {10.1016/j.cej.2020.127753}, author = {Deshpande, J. B. and Chakrabarty, S. and Kulkarni, A. A.} } @article {47716, title = {Hierarchical ITO nanofibers coated Mn3O(4) nanoplates core-shell nanocomposites for high performance all-solid-state symmetric supercapacitor device}, journal = {Ceramics International}, volume = {47}, year = {2021}, month = {NOV }, pages = {29771-29785}, type = {Article}, abstract = {We have made a first attempt to build a novel Tin doped indium oxide@Manganese oxide (ITO@Mn3O4) nanocomposite electrode to overcome the detriments of Mn3O4 such as low conductivity and small potential window. Herein, we have synthesized the ITO@Mn3O4 nanocomposite by growing Mn3O4 nanoplates over ITO nanofibers synthesized by electrospinning technique. Benefitted from, the high conductivity and negative operating potential window of ITO exceptionally increased in the electrochemical performance of ITO@Mn3O4 was observed. The specific capacitance of optimized ITO@Mn3O4 nanocomposite reached up to 823 F/g at 1 mA/ cm2 in a wide potential window of 2 V using Na2SO4 electrolyte. To determine the practical feasibility an ITO@Mn3O4//ITO@Mn3O4 all-solid-state symmetric device was developed, which operated very well in a 2.2 V voltage window. It was found to deliver a maximum energy density of 88 Wh/kg and a power density of 550 W/ kg. This novel composite inferred the significance of using simple design to build a high-performance device.}, keywords = {electrospinning, ITO@Mn3O4 nanocomposite, PVA-LiClO4, SILAR, Solid-state symmetric device}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2021.07.149}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Pawar, K. K. and Patil, D. S. and Shin, J. C. and Patil, P. S.} } @article {47131, title = {High efficiency lithium storage in 3D composite foam of Co3O4 nanoparticles integrated carbon nanohorns}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {263}, year = {2021}, month = {JAN}, pages = {114839}, type = {Article}, abstract = {
A well-designed 3 dimensional (3D) nanocomposite foam of Co3O4 nanoparticles and functionalized carbon nano horns (CNH) is prepared by feasible wet chemistry followed by lyophilization. This 3D nanocomposite foam is evaluated electrochemically as anode material for lithium-ion battery (LIB). 3D hierarchical mesoporous hybrid of functionalized carbon nano horn-Co3O4 (CCO) shows excellent lithium storage properties with long cycle life due to high surface area, good conductivity, 3D interconnected mesoporous structure, mechanical and chemical stability and shortened diffusion path length for Li+ ions during lithiation-delithiation. The Co3O4 nanoparticles incorporated into interconnected CNH foam effectively increases the number of active sites of CCO nanocomposite and consequently increase in the reversible specific capacity and coulombic efficiency. Different compositions of CNH foam with Co3O4 nanoparticles are prepared, among which the CCO 1:1 foam displays reversible capacity of 797 mAhg1 at current density of 0.1 Ag-1 along with excellent rate performance. High specific capacity of around 702 mAhg(-1) is obtained even at the current density of 5 Ag-1.
}, keywords = {3D CCO foam, carbon nanohorns, Excellent rate capability, Li ion diffusion coefficient, Long Cycle life}, issn = {0921-5107}, doi = {10.1016/j.mseb.2020.114839}, author = {Dwivedi, Pravin K. and Parte, Golu and Thripuranthaka, M. and Shelke, Manjusha V.} } @article {47353, title = {Highly compressible ceramic/polymer aerogel-based piezoelectric nanogenerators with enhanced mechanical energy harvesting property}, journal = {Ceramics International}, volume = {47}, year = {2021}, month = {JUN }, pages = {15750-15758}, type = {Article}, abstract = {
Ceramic piezoelectric materials have orders of magnitude higher piezoelectric coefficients compared to polymers. However, their brittleness precludes imposition of large strains in mechanical energy harvesting applications. We report here that ice templating affords low bulk modulus lead-free aerogel piezoelectric nanogenerators (PENG) with unprecedented combination of flexibility and high piezoelectric response (voltage and power density). A modified ice templating protocol was used to fabricate piezoelectric nanocomposites of surface modified BaTiO3 (BTO) nanoparticles in crosslinked polyethylene imine. This protocol allowed incorporating a significantly high fraction of BTO particles (up to 83 wt \%) in the aerogel, while retaining remarkably high compressibility and elastic recovery up to 80\% strain. The output voltage, at an applied compressive force of 20 N (100 kPa), increased with BTO loading and a maximum output voltage of 11.6 V and power density of 7.22 ?W/cm2 (49.79 ?W/cm3) was obtained for PENG aerogels containing 83 wt\% BTO, which is orders of magnitude higher than previously reported values for foam-based piezoelectric energy harvesters. The BTO/PEI PENGs also showed cyclic stability over 900 cycles of deformation. PENGs with higher porosity showed better elastic recovery and piezoelectric properties than lower porosity and higher BTO content aerogels. To the best of our knowledge, this is the first report to demonstrate the piezoelectric properties of high ceramic content aerogels having very high compressibility and elastic recovery.
}, keywords = {Ceramic polymer aerogels, energy harvesting, ice templating, piezoelectric}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2021.02.147}, author = {Ram, Farsa and Suresh, Karthika and Torris, Arun and Kumaraswamy, Guruswamy and Shanmuganathan, Kadhiravan} } @article {47335, title = {Highly efficient and extremely simple protocol for the oxidation α-hydroxyphosphonates to α-ketophosphonates using Dess-Martin periodinane}, journal = {ARKIVOC}, volume = {4}, year = {2021}, month = {JAN}, type = {Article}, doi = {10.24820/ark.5550190.p011.213}, author = {Kupwade, Ravindra and Mitragotri, Satish D. and Kulkarni, Makarand A. and Desai, Uday V. and Wadagaonkar, Prakash P.} } @article {47310, title = {Highly efficient and reusable Ru-NaY catalyst for the base free oxidation of 5-Hydroxymethylfurfural to 2,5-Furandicarboxylic acid}, journal = {Catalysis Today}, volume = {375}, year = {2021}, month = {SEP}, type = {Article}, abstract = {
Oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA) is an important reaction for the production of recyclable bio-based polymers. Herein, we report a series of Ru nanoparticles supported on NaY zeolites catalysts for the oxidation of HMF to FDCA. The catalysts were prepared by simple ion exchanged method. Among all the catalysts, the optimized 3 wt \% Ru-NaY catalyst showed superior catalytic activity under base free conditions with a shorter period of reaction time. The conversion of HMF was 100 \% with 94 \% FDCA yield. This catalyst was reused for fourth cycles, with an insignificant decrease in the yield of FDCA. H2-chemisorption and HRTEM studies confirmed that high metal dispersion and small size of Ru nanoparticles play vital roles for the HMF oxidation. In addition, the acidic hydroxyl groups of the supercage as well as higher amount of metallic Ru{\textdegree} are also responsible for the high yield and productivity of FDCA.
}, doi = {10.1016/j.cattod.2020.05.009}, author = {Kandasamy, Prabu and Gogoi, Pranjal and Venugopalan, Aswathy Thareparambil and Raja, Thirumalaiswamy} } @article {47677, title = {Highly efficient method of utilizing waste silica hazards}, journal = {Process Safety and Environmental Protection}, volume = {153}, year = {2021}, month = {SEP}, pages = {239-248}, type = {Article}, abstract = {Silica gels are the significant commodity solid waste produced by organic laboratories and pharmaceutic industries. Although use of silica gels is continuously growing, the proper methods of re-utilizing silica waste are yet limited. Hence, it demands a non-traditional approach to transform these silica waste into some other useful products apart from using them as a well-known road construction materials. Hereby, we report the fabrication and applications of monolithic polymer-silica composites by ice-templating technique from laboratory waste silica-gels, using green approach. To the best of our knowledge, the fabrication of organic-inorganic hybrid sponges from the particles of hundreds of microns is not reported to date. Scaffolds S-60, S-120, S-180, and S-300, were prepared from laboratory discarded silica gels. The morphological, physicochemical, flame-retardant, and liquid absorbent properties of these self-standing scaffolds were analyzed. Results showed that the incorporation of silica particles in the scaffolds turned them into a flame-retardant sponge. These properties make the sponges ideal for making non-flammable cushions, applicable in automobiles, aircrafts, chemical laboratories, hospitals, and other areas of applications. Due to the large porous structures, these scaffolds possess excellent absorption properties and may absorb almost every kind of liquid ranging from oils to acids. Therefore, these scaffolds are also a remarkable absorber for oils and hazardous liquids spillage, such as acids, and can be used as foam for chemical packing applications. (C) 2021 Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.}, keywords = {Acid absorber, Flame-retardant, Ice-templating, Laboratory silica waste, scaffolds}, issn = {0957-5820}, doi = {10.1016/j.psep.2021.07.007}, author = {Singh, Anup Kumar and Sudhakar, Vediappan} } @article {47665, title = {High-voltage non-aqueous hybrid supercapacitor based on the N2200 polymer supported over multiwalled carbon nanotubes}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {JUL}, pages = {12314-12326}, type = {Article}, abstract = {P(NDI2OD-T2), also known as Polyera ActivInk N2200, is a widely accepted non-fullerene acceptor polymer that is used prominently in the energy harvesting application due to its ease of synthesis, high electron mobility, and other desirable semiconducting properties. With its recent foray into energy storage applications, there is tremendous potential for developing composites of N2200 with carbon nanotubes (CNTs) to improve its electrical properties and extend its applicability. Here we report a facile synthesis of an N2200 composite with multiwalled carbon nanotubes (MWCNTs) following an in situ approach to include MWCNTs into the polymer matrix, improving its electrochemical performance in an organic electrolyte (1 M LiClO4/propylene carbonate). The composite material with an optimum MWCNT content exhibits prominent redox behavior delivering a specific capacity of 80 mA h g((polymer))(-1) in a standard three-electrode cell. Moreover, the N2200/MWCNT composite material showing a battery-type electrochemical signature could perform as an efficient negative electrode in a high-voltage (2.4 V) hybrid supercapacitor device comprising capacitive activated carbon as the positive electrode.}, issn = {2040-3364}, doi = {10.1039/d1nr01422f}, author = {Wavhal, Bhaiyyasaheb Anurath and Ghosh, Meena and Sharma, Sandeep and Kurungot, Sreekumar and Asha, S. K.} } @article {47611, title = {Historical overview of long-distance signalling in plants}, journal = {Journal of Experimental Botany}, volume = {72}, year = {2021}, month = {MAY}, pages = {4218-4236}, type = {Review}, abstract = {Be it a small herb or a large tree, intra- and intercellular communication and long-distance signalling between distant organs are crucial for every aspect of plant development. The vascular system, comprising xylem and phloem, acts as a major conduit for the transmission of long-distance signals in plants. In addition to expanding our knowledge of vascular development, numerous reports in the past two decades revealed that selective populations of RNAs, proteins, and phytohormones function as mobile signals. Many of these signals were shown to regulate diverse physiological processes, such as flowering, leaf and root development, nutrient acquisition, crop yield, and biotic/abiotic stress responses. In this review, we summarize the significant discoveries made in the past 25 years, with emphasis on key mobile signalling molecules (mRNAs, proteins including RNA-binding proteins, and small RNAs) that have revolutionized our understanding of how plants integrate various intrinsic and external cues in orchestrating growth and development. Additionally, we provide detailed insights on the emerging molecular mechanisms that might control the selective trafficking and delivery of phloem-mobile RNAs to target tissues. We also highlight the cross-kingdom movement of mobile signals during plant-parasite relationships. Considering the dynamic functions of these signals, their implications in crop improvement are also discussed.}, keywords = {Long-distance signalling, mobile RNAs, phloem, plasmodesmata, RNA-binding proteins, small RNAs}, issn = {0022-0957}, doi = {10.1093/jxb/erab048}, author = {Kondhare, Kirtikumar R. and Patil, Nikita S. and Banerjee, Anjan K.} } @article {47049, title = {Hydrate-based carbon capture process: assessment of various packed bed systems for boosted kinetics of hydrate formation}, journal = {Journal of Energy Resources Technology-Transactions of the ASME}, volume = {143}, year = {2021}, month = {MAR }, pages = {033005}, type = {Article}, abstract = {
The case for developing novel technologies for carbon dioxide (CO2) capture is fast gaining traction owing to increasing levels of anthropogenic CO2 being emitted into the atmosphere. Here, we have studied the hydrate-based carbon dioxide capture and separation process from a fundamental viewpoint by exploring the use of various packed bed media to enhance the kinetics of hydrate formation using pure CO2 as the hydrate former. We established the fixed bed reactor (FBR) configuration as a superior option over the commonly used stirred tank reactor (STR) setups typically used for hydrate formation studies by showing enhanced hydrate formation kinetics using the former. For the various packing material studied, we have observed silica gel with 100 nm pore size to return the best kinetic performance, corresponding to a water to hydrate conversion of 28 mol\% for 3 h of hydrate growth. The fundamental results obtained in the present study set up a solid foundation for follow-up works with a more applied perspective and should be of interest to researchers working in the carbon dioxide capture and storage and gas hydrate fields alike.
}, keywords = {air emissions from fossil fuel combustion, Carbon dioxide capture, combustion of waste, Fixed bed reactor, fuel combustion, Gas hydrate, hydrates, kinetics, Silica gel}, issn = {0195-0738}, doi = {10.1115/1.4048304}, author = {Arora, Amit and Kumar, Asheesh and Bhattacharjee, Gaurav and Balomajumder, Chandrajit and Kumar, Pushpendra} } @article {47689, title = {Hydrogenolysis of benzofuran using aqueous ethanol solution over graphite-supported platinum catalyst}, journal = {Journal of the Indian Chemical Society}, volume = {98}, year = {2021}, month = {FEB}, pages = {100021}, type = {Article}, abstract = {Graphite-supported platinum catalysts (Pt/G) were highly active for the hydrogenolysis of benzofuran to o-ethylphenol in aqueous ethanol solution at 523 K without using any external hydrogen gas. The hydrogenolysis activities and selectivity to o-ethylphenol in ethanol solution over Pt/G were higher than those with a conventional method using externally supplied hydrogen gas. Both water and ethanol were indispensable for the hydrogenolysis in aqueous ethanol solution at 523 K.}, keywords = {Biomass conversion, Graphite support, Hydrogenolysis, platinum catalysts}, issn = {0019-4522}, doi = {10.1016/j.jics.2021.100021}, author = {Hiraishi, Yushi and Minakawa, Naohiro and Taniguchi, Kenkichi and Nagasawa, Yoshiyuki and Nanao, Hidetaka and Rode, V, Chandrashekhar and Sato, Osamu and Yamaguchi, Aritomo and Shirai, Masayuki} } @article {47424, title = {Hydrogenolysis of glycerol in an aqueous medium over Pt/WO3/zirconium phosphate catalysts studied by H-1 NMR spectroscopy}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {MAR}, pages = {5013-5022}, type = {Article}, abstract = {
Bifunctional Pt/WO3/zirconium phosphate catalyzes the liquid-phase hydrogenolysis of glycerol in an aqueous medium. H-1 NMR spectroscopy (solvent suppression pulse program) is employed to monitor this reaction. Propanediols (1,3 + 1,2-PDO) formed as the major product along with propanols (1- and 2-POs) as the minor product. A synergistic enhancement in glycerol conversion and selectivity to 1,3-PDO was observed when both Pt and WO3 were present in the catalyst. A volcano-shape variation of catalytic activity with W content was observed. A catalyst with 8 wt\% W and 1 wt\% Pt exhibited the highest selective hydrogenolysis performance (glycerol conversion = 92.3\% and total PDOs selectivity = 45.9\% and 1,3-PDO selectivity = 20.8\% at 200 degrees C). Dispersed Pt in contact with polytungstate-type WO3 species was found to be the active catalytic site. H-1 NMR spectroscopy is demonstrated as an attractive technique to quantify the products of a glycerol hydrogenolysis reaction.
}, issn = {1144-0546}, doi = {10.1039/d0nj05557c}, author = {Bhowmik, Susmita and Enjamuri, Nagasuresh and Darbha, Srinivas} } @article {47455, title = {Hydrophilic 3D interconnected network of bacterial nanocellulose/black titania photothermal foams as an efficient interfacial solar evaporator}, journal = {ACS Applied Bio Materials}, volume = {4}, year = {2021}, month = {APR}, pages = {4373{\textendash}4383}, type = {Article}, abstract = {
The design and development of scalable, efficient photothermal evaporator systems that reduce microplastic pollution are highly desirable. Herein, a sustainable bacterial nanocellulose (BNC)-based self-floating bilayer photothermal foam (PTFb) is designed that eases the effective confinement of solar light for efficient freshwater production via interfacial heating. The sandwich nanoarchitectured porous bilayer solar evaporator consists of a top solar-harvesting blackbody layer composed of broad-spectrum active black titania (BT) nanoparticles embedded in the BNC matrix and a thick bottom layer of pristine BNC for agile thermal management, the efficient wicking of bulk water, and staying afloat. A decisive advantage of the BNC network is that it enables the fabrication of a lightweight photothermal foam with reduced thermal conductivity and high wet strength. Additionally, the hydrophilic three-dimensional (3D) interconnected porous network of BNC contributes to the fast evaporation of water under ambient solar conditions with reduced vaporization enthalpy by virtue of intermediated water generated via a BNC{\textendash}water interaction. The fabricated PTFb\ is found to yield a water evaporation efficiency of 84.3\% (under 1054 W m{\textendash}2) with 4 wt \% BT loading. Furthermore, scalable PTFb\ realized a water production rate of 1.26 L m{\textendash}2\ h{\textendash}1\ under real-time conditions. The developed eco-friendly BNC-supported BT foams could be used in applications such as solar desalination, contaminated water purification, extraction of water from moisture, etc., and thus could address one of the major present-day global concerns of drinking water scarcity.
}, doi = {10.1021/acsabm.1c00143}, author = {Nabeela, Kallayi and Thorat, Meghana and Sumina, N. B. and Ramachandran, Animesh M. and Thomas, Reny Thankam and Preethikumar, Gopika and Mohamed, A. Peer and Asok, Adersh and Dastager, Syed Gulam and Pillai, Saju} } @article {47397, title = {Hypervalent iodine(iii) induced oxidative olefination of benzylamines using Wittig reagents}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {MAY}, pages = {8806-8813}, type = {Article}, abstract = {
We have developed hypervalent iodine(iii) induced oxidative olefination of primary and secondary benzylamines using 2C-Wittig reagents, which provides easy access to alpha,beta-unsaturated esters. Mild reaction conditions, good to excellent yields with high (E) selectivity, and a broad substrate scope are the key features of this reaction. We have successfully carried out the gram-scale synthesis of alpha,beta-unsaturated esters.
}, issn = {1144-0546}, doi = {10.1039/d1nj01170g, Early Access Date = APR 2021}, author = {Ramavath, Vijayalakshmi and Rupanawar, Bapurao D. and More, Satish G. and Bansode, Ajay H. and Suryavanshi, Gurunath} } @article {47437, title = {Ice-colloidal templated carbon host for highly efficient, dendrite free Li metal anode}, journal = {Carbon}, volume = {179}, year = {2021}, month = {JUL}, pages = {256-265}, type = {Article}, abstract = {
With its high theoretical specific capacity value, lithium metal itself would be an ideal anode material for rechargeable Li-ion batteries (LIBs). However, practical application of lithium metal is obstructed due to lithium dendrite growth during cycling leads to unstable SEI formation, volume fluctuation and safety hazard. Herein, we have developed a novel high surface area carbon network with both meso (\~{}20 nm) and micron (\~{}1{\textendash}2 μm) size porosity, via ice-colloidal templating, as a scaffold for stable lithium metal anode mitigating lithium dendrite formation. The 3D porous nitrogen doped carbon (3D PNC) network is capable of lithium deposition equivalent to 10 mAhcm-2 at 2 mAcm-2 current density with 99.96\% coulombic efficiency for 100 cycles. Moreover, 3D PNC when subjected to 3000 h of continuous plating-stripping measurements (\~{}700 cycles) depicts the coulombic efficiency of 99.84\% with no observable dendrite growth at the current density of 2 mAcm-2 and lithium intake capacity of 5 mAhcm-2. A full cell of lithium plated 3D PNC anode with LiFePO4 shows an excellently stable performance up to 50 cycles at an input current density of 50 mAg-1, with a coulombic efficiency retention of 99.73\%.
}, doi = {10.1016/j.carbon.2021.04.021}, author = {Patrike, Apurva and Kaniyamparambil, Karthika and Wahid, Malik and Chaturvedi, Vikash and Shelke, Manjusha} } @article {47806, title = {Identification of a novel series of potent organosilicon mosquito repellents}, journal = {ACS Omega}, volume = {6}, year = {2021}, month = {NOV}, pages = {31236-31243}, type = {Article}, abstract = {Mosquito control by personal protection is one of the most efficient ways of curtailing deadly diseases such as malaria and dengue with the potential to save millions of lives per year. DEET (N,N-diethyl-3-methyl benzamide) is currently considered as the gold standard for mosquito repellents, being used for the past several decades. Control by DEET, however, is being threatened by emerging resistance among mosquitoes. To address this concern and also to improve protection times, we synthesized a novel series of 25 silicon-containing acyl piperidines using acid{\textendash}amine coupling protocol and tested their activity against Aedes aegypti in mosquito-repellent assays. Several compounds from this series appear to possess good mosquito-repellent properties. Most notably, at 0.5 mg/cm2 concentrations, the mean protection time for NDS100100 was 756 min, which was higher than that of DEET (616 min). The details of design, synthesis, and biological evaluation are discussed herein.}, doi = {10.1021/acsomega.1c04961}, author = {Kulkarni, Akshay S. and Ramesh, Remya and Walia, Safal and Sayyad, Shahebaz I. and Gathalkar, Ganesh B. and Balamkundu, Seetharamsing and Joshi, Manali and Sen, Avalokiteswar and Reddy, D. Srinivasa} } @article {47355, title = {Imidazole/4,4 {\textquoteleft}-azopyridine bridging binuclear Ru(II) complexes: design, synthesis, bimolecular interactions and cytotoxicity against HeLa cell line}, journal = {Journal of the Iranian Chemical Society}, volume = {18}, year = {2021}, month = {DEC}, type = {Article}, abstract = {
Binuclear Ru(II)-arene complexes [(eta(6)-pcym)(Flq)Ru(mu-im/mu-azpy)Ru(Flq)(eta(6)-p-cym)]Cl (C1-C8) (cym = cymene; Flq = fluoroquinolones; im = imidazole; azpy = 4,4 {\textquoteleft} azo pyridine) have been synthesized and characterized by elemental analysis, molar conductivity and various spectral techniques (ESI-MS, IR, UV-Vis and H-1-NMR). The geometry of the complexes was optimized by DFT calculations, which revealed a pseudo-octahedral coordination around each metal centre. Binding of the synthesized complexes with CT-DNA and BSA was studied spectroscopically, and it has been established that the presence of two hydrophobic planar arene moieties enhances the binding efficacies of the binuclear complexes to the macromolecules, compared to their mononuclear analogues. The results of competitive binding between C1-C8 and ethidium bromide (EB) towards DNA have shown that the complexes are able to displace EB from DNA-EB adduct and interact with DNA via intercalation. The complexes display cytotoxicity against the HeLa human cervical cancer cell lines with IC50 values in the range of 30.1-120.9 mu M.
}, keywords = {Binuclear ruthenium (II) complexes, BSA binding interactions, DFT calculations, DNA, Fluoroquinolones (FQs), HeLa human cervical carcinoma}, issn = {1735-207X}, doi = {10.1007/s13738-021-02271-3, Early Access Date = MAY 2021}, author = {Khanvilkar, Priyanka and Dash, Soumya R. and Pulipaka, Ramadevi and Shirsath, Kavita and Devkar, Ranjitsinh and Chakraborty, Debjani} } @article {47103, title = {Impingement dynamics of jets in a confined impinging jet reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {60}, year = {2021}, month = {JAN}, pages = {969-979}, type = {Article}, abstract = {
The interaction of two impinging liquid jets in a confined impinging jet reactor (CUR) is explored. Multiphase flow simulations were performed using the volume of fluids (VOF) approach to investigate the impingement dynamics of liquid impinging jets, and single-phase CFD simulations have been performed to understand the turbulence and the mixing performance in the system. At identical inlet velocities, the liquid sheet formed on the impingement axis was found to move toward the liquid jet inlet of the lesser density fluid until reaching equilibrium. The formation and transient movement of liquid sheets are characterized for different jet velocities. An improved reactor geometry is proposed that reduces the wall effect on sheet formation and wall deposition on discharge points of jets. Upon breaking away from the impinging film, the two liquid phases are found to be intertwined in the form of ligaments and droplets after fragmentation of the sheet, providing a higher interfacial confirmed by performing high-throughput continuous antisolvent precipitation.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.0c04717}, author = {Pal, Sayan and Madane, Ketan and Mane, Mayur and Kulkarni, Amol A.} } @article {47571, title = {Implication of adsorption preferences of ions and surfactants on the shape control of gold nanoparticles: a microscopic, atomistic perspective}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {DEC }, pages = {19549-19560}, type = {Article}, abstract = {Shape modulation of nanoparticles is crucial for their tailored applications; however, it depends on surfactants, ions, reactants, and other additives present in the growth solution. Here we dissect the role of surfactants, their counterions (halide ions), silver ions, and gold reactant in gold nanoparticle anisotropic growth using polarizable surfaces and nanoseed molecular dynamics simulation models. Our planar surface models predict a 14\%-16\% increment in cetyltrimethylammonium bromide (CTAB) coverage on Au(111) and Au(100) due to the surface polarization effect. The CTAB micelle adsorbs compactly similar to that observed on non-polarizable surfaces. The cetyltrimethylammonium chloride (CTAC) micelle remains in solution leaving the polarizable gold surfaces unprotected, similar to that observed with the non-polarizable surfaces, which favors isotropic growth. The cetyltrimethylammonium iodide (CTAI) micelle adsorbs with higher surface densities than CTAB on all the surfaces. The surface polarizable penta-twinned nanoseed model predicts the total surface coverage of the cetyltrimethylammonium cation (CTA(+)), Br- and Ag+ to be around two times higher on the side as compared to the tip of the nanoseed, leading to a 2.6 times higher initial rate of adsorption of AuCl2- on the tip than on the side. Predicted CTA(+) surface densities on the tip and the side of the nanoseed are consistent with experimental results. Our simulations explain the growth mechanism of anisotropic nanoparticles and the microscopic origin of their controlled shapes.}, issn = {2040-3364}, doi = {10.1039/d1nr05244f}, author = {Meena, Santosh Kumar and Meena, Chandrakala} } @article {47601, title = {Implications of valosin-containing protein in promoting autophagy to prevent tau aggregation}, journal = {Neuroscience}, volume = {476}, year = {2021}, month = {NOV}, pages = {125-134}, type = {Review}, abstract = {and cellular degradative mechanisms modulate Tau aggregation. During aging and neu-rodegenerative disorders, the cellular proteostasis is disturbed due to impaired protective mechanisms. This results in accumulation of aberrant Tau aggregates in the neuron that leads to microtubule destabilization and neuronal degeneration. The intricate mechanisms to prevent Tau aggregation involve chaperones, autophagy, and proteasomal system have gained main focus about concerning to therapeutic intervention. However, the thor-ough understanding of other key proteins, such as Valosin-containing protein (VCP), is limited. In various neu-rodegenerative diseases, the chaperone-like activity of VCP is involved in preventing protein aggregation and mediating the degradation of aberrant proteins by proteasome and autophagy. In the case of Tau aggregation associated with Alzheimer{\textquoteright}s disease, the importance of VCP is poorly understood. VCP is known to co-localize with Tau, and alterations in VCP cause aberrant accumulation of Tau. Nevertheless, the direct mechanism of VCP in altering Tau aggregation is not known. Hence, we speculate that VCP might be one of the key modulators in preventing Tau aggregation and can disintegrate Tau aggregates by directing its clearance by autophagy. = 2021 IBRO. Published by Elsevier Ltd. All rights reserved.}, keywords = {Autophagy, segregase, Tau aggregates, Ubiquitin-proteasome system, valosin-containing protein}, issn = {0306-4522}, doi = {10.1016/j.neuroscience.2021.09.003}, author = {Chinnathambi, Subashchandrabose and Gorantla, Nalini Vijay} } @article {47122, title = {Improved photocatalytic efficiency of TiO2 by doping with tungsten and synthesizing in ionic liquid: precise kinetics-mechanism and effect of oxidizing agents}, journal = {Environmental Science and Pollution Research}, volume = {28}, year = {2021}, month = {APR}, pages = {17532-17545}, type = {Article}, abstract = {
The degradation of nitroaromatics/toxic energetic compounds contaminated water is a major cause of concern. W-doped TiO2 nanoparticles (NPs) were synthesized in ionic liquid, ethyl methyl imidazolium dicyanamide (EMIM-DCA) by a solvothermal method. The developed NPs were sintered at 500 degrees C and characterized by UV-Vis-DRS, FT-IR, FE-SEM, XRD, XPS, and BET techniques. The 30-40-nm-sized NPs were subjected to photocatalytic degradation of the toxic energetic compound, tetryl (2,4,6-trinitrophenylmethylnitramine) under UV-Vis light. Various operating parameters such as the effect of concentration of catalyst, pH of feed phase, oxidizing agents, and recycling of catalyst were studied in detail. For the first time, the degradation-mechanism pathway and kinetics of tetryl were evaluated. The degradation products were precisely analyzed by using HPLC, GC-MS, and TOC techniques. The USEPA has prescribed a drinking water limit of 0.02 mg L-1, and it was found that 0.5 g of 4\% W-TiO2 could totally degrade tetryl (50 mg L-1) within 8 h. The kinetic rate constant of 4\% W-TiO2 was 0.356 h(-1), whereas pure TiO2 showed 0.207 h(-1).
}, keywords = {Ionic liquid, Nitroaromatics, Photocatalysis, Recycling of catalyst, W-doped TiO2, wastewater}, issn = {0944-1344}, doi = {10.1007/s11356-020-12107-x, Early Access Date = JAN 2021}, author = {Raut, Sandesh S. and Kamble, Sanjay P. and Kulkarni, Prashant S.} } @article {47053, title = {Improvement in serum amylase and glucose levels in diabetic rats on oral administration of bisdemethoxycurcumin from Curcuma longa and limonoids from Azadirachta indica}, journal = {Journal of Food Biochemistry}, volume = {45}, year = {2021}, month = {APR}, pages = {e13674}, type = {Article}, abstract = {
Curcuma longa and Azadirachta indica are traditionally used in Indian cuisine and Ayurvedic medicine as nutraceuticals against diabetes. The crude C. longa isopropanol extract, bisdemethoxycurcumin (BDMC), the purified bioactive component from C. longa, and limonoids azadiradione, gedunin from A. indica, are able to inhibit in vitro the antidiabetic target human pancreatic alpha-amylase independently. However, no reports on their in vivo efficacy in animal models exist. Thus, the antidiabetic effect of these orally administered human pancreatic alpha-amylase inhibitors was performed on streptozotocin-induced Sprague-Dawley rats. Initially, the normal rats were treated with test compounds (10-100 mg/kg of body weight) in corn oil (5 ml/kg), and as no lethality was observed in these doses, further studies were carried out with lowest concentration of 10 mg/kg of body weight. A reduction in area under curve (AUC) suggested glucose-lowering effect of these compounds in starch fed diabetic rats. The efficacy study showed a significant improvement in body weight, blood glucose levels, serum amylase, and fructosamine levels as well in other serum parameters associated with diabetes with respect to liver and renal functions. Hence, under in vivo conditions, inhibition of alpha-amylase activity by BDMC and limonoids affirms it as one of the mechanisms of action resulting in reduction of blood glucose levels. Practical applications Bisdemethoxycurcumin from C. longa and limonoids, namely, azadiradione and gedunin, from A. indica are potent inhibitors of the antidiabetic target human pancreatic alpha-amylase. Oral Starch Tolerance Test (OSTT) and 28-day efficacy study to check the effect of these orally administered inhibitors in diabetic rat models showed significant improvements in serum blood glucose and amylase levels as well as in other diabetes related serum parameters, namely, bilirubin, lipids, lactate dehydrogenase, alkaline phosphatase, and urea. The study contributes to understanding the action and efficacy of these pancreatic alpha-amylase inhibitors and suggests a potential role for them as nutraceuticals/therapeutics in management of post-prandial hyperglycemia.
}, keywords = {\&\#8208, \&\#945, Amylase inhibitors, Azadiractha indica, BDMC, Curcuma longa, in vivo rat studies, Limonoids}, issn = {0145-8884}, doi = {10.1111/jfbc.13674, Early Access Date = FEB 2021}, author = {Ramkumar, Sudha and Thulasiram, V. H. and RaviKumar, Ameeta} } @article {47133, title = {Improving efficiency for removal of ammoniacal nitrogen from wastewaters using hydrodynamic cavitation}, journal = {Ultrasonics Sonochemistry}, volume = {70}, year = {2021}, month = {JAN}, pages = {105306}, type = {Article}, abstract = {
The present study reports significant improvements in the removal of ammoniacal nitrogen from wastewater which is an important problem for many industries such as dyes and pigment, distilleries and fisheries. Pilot plant studies (capacity, 1 m(3)/h) on synthetic wastewater using 4-amino phenol as model nitrogen containing organic compound and two real industrial effluents of high ammoniacal nitrogen content were carried out using hydrodynamic cavitation. Two reactor geometries were evaluated for increased efficiency in removal-orifice and vortex diode. Effect of initial concentration (100-500 mg/L), effect of pressure drop (0.5-5 bar) and nature of cavitating device (linear and vortex flow for cavitation) were evaluated along with effect of salt content, effect of hydrogen peroxide addition and aeration. Initial concentration was found to have significant impact on the extent of removal: similar to 5 g/m(3) removal for initial concentration of 100 mg/L and up to 12 g/m(3) removal at high concentration of 500 mg/L. Interestingly, significant improvement of the order of magnitude (up to 8 times) in removal of ammoniacal nitrogen could be obtained by sparging air or oxygen in hydrodynamic cavitation and a very high removal of above 80\% could be achieved. The removal of ammoniacal nitrogen by vortex diode was also found to be effective in the industrial wastewaters and results on two different effluent samples of distillery industry indicated up to 75\% removal, though with longer time of treatment compared to that of synthetic wastewater. The developed methodology of hydrodynamic cavitation technology with aeration and vortex diode as a cavitating device was found to be highly effective for improving the efficiency of the conventional cavitation methods and hence can be highly useful in industrial wastewater treatment, specifically for the removal of ammoniacal nitrogen.
}, keywords = {Amino phenol, Cavitation, Oxidation, pollution, Wastewater treatment}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2020.105306}, author = {Patil, Pravin B. and Bhandari, Vinay M. and Ranade, Vivek V.} } @article {47072, title = {Improving the optical and thermoelectric properties of Cs2InAgCl6 with heavy substitutional doping: a DFT insight}, journal = {RSC Advances}, volume = {11}, year = {2021}, month = {FEB }, pages = {5521-5528}, type = {Article}, abstract = {
The next-generation indium-based lead-free halide material Cs2InAgCl6 is promising for photovoltaic applications due to its good air stability and non-toxic behavior. However, its wide bandgap (\>3 eV) is not suitable for the solar spectrum and hence reduces its photoelectronic efficiency for device applications. Here we report a significant bandgap reduction from 2.85 eV to 0.65 eV via substitutional doping and its effects on the optoelectronic and opto-thermoelectric properties from a first-principles study. The results predict that Sn/Pb and Ga and Cu co-doping will enhance the density of states significantly near the valence band maximum (VBM) and thus reduce the bandgap via shifting the VBM upward, while alkali metals (K/Rb) slightly increase the bandgap. A strong absorption peak near the Shockley-Queisser limit is observed in the co-doped case, while in the Sn/Pb-doped case, we notice a peak in the middle of the visible region of the solar spectrum. The nature of the bandgap is indirect with Cu-Ga/Pb/Sn doping, and a significant reduction in the bandgap, from 2.85 eV to 0.65 eV, is observed in the case of Ga-Cu co-doping. We observe a significant increase in the power factor (PF) (2.03 mW m(-1) K-2) for the n-type carrier after Pb-doping, which is similar to 3.5 times higher than in the pristine case (0.6 mW m (-1) K-2) at 500 K.
}, doi = {10.1039/d0ra01840f}, author = {Bhamu, K. C. and Haque, Enamul and Praveen, C. S. and Kumar, Nandha and Yumnam, G. and Hossain, Md. Anwar and Sharma, Gautam} } @article {47125, title = {In silico studies, synthesis and antitubercular activity of some novel quinoline - azitidinone derivatives}, journal = {Current Computer-Aided Drug Design}, volume = {17}, year = {2021}, month = {JAN}, pages = {134-143}, type = {Article}, abstract = {
Background: Diarylquinolines like Bedaquiline have shown promising antitubercular activity by their action of Mycobacterial ATPase. Objective: The structural features necessary for a good antitubercular activity for a series of quinoline derivatives were explored through computational chemistry tools like QSAR and combinatorial library generation. In the current study, 3-Chloro-4-(2-mercaptoquinoline-3-yl)-1-substitutedphenylazitidin-2-one derivatives have been designed and synthesized based on molecular modeling studies as anti-tubercular agents. Methods: 2D and 3D QSAR analyses were used to designed compounds having a quinoline scaffold. The synthesized compounds were evaluated against active and dormant strains of Mycobacterium tuberculosis (MTB) H37 Ra and Mycobacterium bovis BCG. The compounds were also tested for cytotoxicity against MCF-7, A549 and Panc-1 cell lines using MTT assay. The binding affinity of designed compounds was gauged by molecular docking studies. Results: Statistically significant QSAR models generated by the SA-MLR method for 2D QSAR exhibited r(2) = 0.852, q(2) = 0.811, whereas 3D QSAR with SA-kNN showed q(2) = 0.77. The synthesized compounds exhibited MIC in the range of 1.38-14.59(mu g/ml). These compounds showed some crucial interaction with MTB ATPase. Conclusion: The present study has shown some promising results which can be further explored for lead generation.
}, keywords = {combilib, Molecular docking, mycobacterial ATPase, QSAR, Quinoline}, issn = {1573-4099}, doi = {10.2174/1573409916666200129095952}, author = {Chitre, Trupti S. and Asgaonkar, Kalyani D. and Vikhe, Amrut B. and Patil, Shital M. and Garud, Dinesh R. and Khedkar, Vijay M. and Sarkar, Dhiman and Nawale, Laxman U. and Yeware, Amar} } @article {47432, title = {In situ polymerization process: an essential design tool for lithium polymer batteries dagger}, journal = {Energy \& Environmental Science}, volume = {14}, year = {2021}, month = {MAY }, pages = {2708-2788}, type = {Review}, abstract = {
Polymer electrolytes (PEs), a type of solid-state electrolytes (SSEs), have been in contention for nearly half a century to replace organic liquid electrolytes (LEs) that are used in state-of-the-art lithium-ion batteries (LIBs). They are envisaged to accelerate the industrial-scale production of safe, energy-dense, flexible, and thin lithium polymer batteries (LPBs). LPBs are expected to be widely employed for electric propulsion and other futuristic applications, such as flexible electronics and the Internet of Things (IoT). Even though several polymer architectures and chemistries have been attempted so far, PEs that can outperform LEs remain a real challenge. Apart from inadequate Li+-ion transport properties, challenges concerning the integration of PEs and the engineering of compatible, robust, and durable interfaces and interphases at both the electrodes of LPBs must be appropriately addressed. Recently, the in situ polymerization process has been widely employed as a robust fabrication tool for surpassing the intricacies related to the integration of PEs in LPBs. Hence, in this review, we focus on the in situ polymerization processes that employ various polymerization methods (e.g., free-radical polymerization, ionic polymerization, electropolymerization, condensation polymerization, etc.), functional monomers and oligomers (e.g., acrylate, methacrylate, allyl and vinyl ethers, epoxides, etc.), and PE integration strategies for the fabrication of lithium (ion and metal) polymer batteries (LIPBs and LMPBs). Additionally, this review also evaluates the approaches that have been developed until now to implement the in situ processing of LPBs from large-sized pouch cells to flexible-/printable-batteries and even microbatteries.
}, issn = {1754-5692}, doi = {10.1039/d0ee03527k, Early Access Date = FEB 2021}, author = {Vijayakumar, Vidyanand and Anothumakkool, Bihag and Kurungot, Sreekumar and Winter, Martin and Nair, Jijeesh Ravi} } @article {46766, title = {In situ preparation of ionomer as a tool for triple-phase boundary enhancement in 3D graphene supported Pt catalyst}, journal = {Advanced Sustainable Systems}, volume = {5}, year = {2021}, month = {JAN}, pages = {2000125}, type = {Article}, abstract = {
For improving the performance of platinum electrocatalysts in polymer electrolyte membrane fuel cells (PEMFCs), it is important to enhance the Pt utilization level in the catalyst systems. A high performing electrocatalyst (Pt/3DNG) is developed for PEMFC applications by using nitrogen-doped 3D graphene (3DNG) as the support material and an in situ grafted active {\textquoteleft}{\textquoteleft}triple-phase boundary{\textquoteright}{\textquoteright} to more precisely control the formation of the proton conducting ionomer interface at the active sites. Considering the 3D morphology of the system, during the electrode fabrication for realistic single-cell evaluation, the concept of in situ generation of the proton conducting-ionomer based {\textquoteleft}{\textquoteleft}active triple-phase boundary{\textquoteright}{\textquoteright} is introduced, which could potentially replace the conventional method of using Nafion ionomer for the electrode preparation. The monomers owing to their small-size can access the pores and inner regions of the 3DNG support, which on UV-curing, undergo polymerization and transform into an ionomer with an extended interfacial network into the nanoregimes of 3DNG. Single cell evaluation of the membrane electrode assembly in a high-temperature PEMFC by using phosphoric acid doped polybenzimidazole membrane demonstrates the utility of the present strategy.
}, keywords = {electrocatalysts, fuel cells, graphene, oxygen reduction reaction}, issn = {2366-7486}, doi = {10.1002/adsu.202000125, Early Access Date = JUL 2020}, author = {Gangadharan, Pranav K. and Vijayakumar, Vidyanand and Nediyirakkal, Shijil A. and Fernandez, Roshni Tresa and Siddharthan, V. Adhrika and Kurungot, Sreekumar} } @article {47807, title = {In vitro antitubercular screening and in silico study of germacradienolide from blainvillea latifolia}, journal = {Asian Journal of Chemistry}, volume = {33}, year = {2021}, month = {JAN}, pages = {3129-3133}, type = {Article}, abstract = {Bioassay-guided isolation from acetone extract of Blainvillea latifolia yielded one compound. The acetone extract, fractions and the compound 1 were investigated for antitubercular activity against Mycobacterium tuberculosis H37Ra. Compound 1 showed the activity with IC50 and MIC values at 8.9 and >100 μg/mL. However, the acetone extract of Blainvillea latifolia was inactive against two Gram negative (E. coli, P. flurescence) and two Gram-positive (S. aureus, B. subtilis) bacterial strains. Hence, it was concluded that the extract and the compound 1 are specifically active against MTB and not against bacterial strains. Molecular docking study was performed against crucial mycobacterial target MtInhA to gain an insight into the binding mode and the thermodynamic interactions governing the binding affinity of this molecule. }, doi = {10.14233/ajchem.2021.23537}, author = {Honmore, Varsha and Kalyankar, Vidya and Natu, Arun and Khedkar, Vijay and Sarkar, Dhiman and Rojatkar, Supada} } @article {47083, title = {Influence of domestication on specialized metabolic pathways in fruit crops}, journal = {Planta}, volume = {253}, year = {2021}, month = {FEB }, pages = {61}, type = {Review}, abstract = {
Main conclusionDuring the process of plant domestication, the selection and traditional breeding for desired characters such as flavor, juiciness and nutritional value of fruits, probably have resulted in gain or loss of specialized metabolites contributing to these traits. Their appearance in fruits is likely due to the acquisition of novel and specialized metabolic pathways and their regulation, driven by systematic molecular evolutionary events facilitated by traditional breeding.AbstractPlants change their armory of specialized metabolism to adapt and survive in diverse ecosystems. This may occur through molecular evolutionary events, such as single nucleotide polymorphism, gene duplication and transposition, leading to convergent or divergent evolution of biosynthetic pathways producing such specialized metabolites. Breeding and selection for improved specific and desired traits (fruit size, color, taste, flavor, etc.) in fruit crops through conventional breeding approaches may further alter content and profile of specialized metabolites. Biosynthetic routes of these metabolites have been studied in various plants. Here, we explore the influence of plant domestication and breeding processes on the selection of biosynthetic pathways of favorable specialized metabolites in fruit crops. An orderly clustered arrangement of genes associated with their production is observed in many fruit crops. We further analyzed selection-based acquisition of specialized metabolic pathways comparing first the metabolic profiles and genes involved in their biosynthesis, followed by the genomic organization of such genes between wild and domesticated horticultural crops. Domestication of crop plants favored the acquisition and retention of metabolic pathways that enhanced the fruit value while eliminated those which produced toxic or unfavorable metabolites. Interestingly, unintentional reorganization of complex metabolic pathways by selection and traditional breeding processes has endowed us with flavorful, juicy and nutritionally rich fruits.
}, keywords = {Aroma, Domestication, Flavour, Fruit crops, Gene cluster, Specialized metabolites, Taste}, issn = {0032-0935}, doi = {10.1007/s00425-020-03554-4}, author = {Dar, M. Saleem and Dholakia, Bhushan B. and Kulkarni, Abhijeet P. and Oak, Pranjali S. and Shanmugam, Dhanasekaran and Gupta, Vidya S. and Giri, Ashok P.} } @article {47445, title = {Influence of sodium caseinate, maltodextrin, pectin and their Maillard conjugate on the stability, in vitro release, anti-oxidant property and cell viability of eugenol-olive oil nanoemulsions}, journal = {International Journal of Biological Macromolecules}, volume = {183}, year = {2021}, month = {JUL}, pages = {158-170}, type = {Article}, abstract = {
The influence of protein (sodium caseinate-SC), polysaccharide (maltodextrin-MD; pectin-PC) and their Maillard conjugates (sodium caseinate maltodextrin conjugate-SCMDC; sodium caseinate pectin conjugate-SCPCC) were studied on the physico-chemical and biological properties of eugenol nanoemulsions/powder. The chemical composition was optimized using Taguchi design. The particles size of eugenol nanoemulsions with SC, MD, PC, SCMDC and SCPCC were 104.6, 323.5, 1872, 181.7, and 454.4 nm, respectively while their zeta potentials were -31.2, -28.5, -21.4, -40.1 and -25.1 mV, respectively. Turbidity studies revealed higher stability of nanoemulsion prepared with Maillard conjugate (SCMDC) compared to protein or polysaccharides alone. The dispersion of SCMDC eugenol nanoparticles in buffer was prepared to study its stability at different pH (3.0, 5.0, and 7.0) and temperature (4{\textdegree}, 37{\textdegree}, 60 {\textdegree}C) range. In-vitro enzymatic release study showed 31 and 74\% release of eugenol after 6 h at pH 2.4 and 7.4, respectively. In vitro antioxidant capacity of SCMDC encapsulated eugenol was higher than native eugenol, as demonstrated by free radical scavenging assays. In comparison to native eugenol, E:SCMDC eugenol showed reduced toxicity. These findings suggested that nanoencapsulated eugenol (E:SCMDC) have a huge potential in nutraceutical and therapeutic applications.
}, doi = {10.1016/j.ijbiomac.2021.04.122}, author = {Nagaraju, Pramod G. and Sindhu, P. and Dubey, Tushar and Chinnathambi, Subashchandrabose and Priyadarshini, Poornima and Rao, Pooja J.} } @article {46705, title = {Injectabledextran-fluorenylmethoxycarbonylphenylalanine composite hydrogels with improved mechanical properties}, journal = {Polymer International}, volume = {70}, year = {2021}, month = {FEB}, pages = {222-229}, type = {Article}, abstract = {
Low molecular weight hydrogels are recently gaining importance owing to their applications in material sciences and biology. A new class of composite hydrogel was developed using polysaccharides such as dextran and fluorenylmethoxycarbonyl phenylalanine (FmocF) in a phosphate buffer. The molecular weight and concentration of the dextran were varied to obtain rigid but injectable hydrogels without using other crosslinking agents. From the different molecular weights of dextran studied (5k, 40k and 70k), a combination of FmocF (0.6\% w/v) and dextran 40k (0.012\% w/v) composite gels yielded a maximum value of storage modulus of approximately 1500 Pa, which is 3.5 times higher than the storage modulus of pure FmocF gels. Scanning electron microscopy of FmocF/dextran composite gels revealed highly tangled fibrous structures with dense branches and lower fiber diameter compared to pure FmocF gels. The high-intensity hydrogen-bonded N-H peak in the infrared spectra showed enhanced hydrogen bonding in FmocF/dextran composite gels compared to pure FmocF gels. The dextran acts as an impurity in the process of fibrillation, leading to a crystallographic mismatch, and densely packed thin fibers are formed. These gels exhibited gel to sol and sol to gel conversion with temperature or external stress and showed injectable behavior. (c) 2020 Society of Industrial Chemistry
}, keywords = {Dextran, Fmoc-Phe, hydrogels, injectable gels, Rheology}, issn = {0959-8103}, doi = {10.1002/pi.6118, Early Access Date = SEP 2020}, author = {Abraham, Jancy N. and Joseph, Seena and Trivedi, Rishabh and Karle, Mrunal} } @article {47117, title = {Inkjet printing of silver nanowires on flexible surfaces and methodologies to improve the conductivity and stability of the printed patterns}, journal = {Nanoscale Advances}, volume = {3}, year = {2021}, month = {JAN }, pages = {240-248}, type = {Article}, abstract = {
Silver nanowires (AgNWs) are known to be used for printing on rigid as well as flexible surfaces. Here we have developed a systematic approach for using AgNWs synthesized by the polyol method for printing on flexible surfaces using a simple inkjet printing method. Optimized ink formulation used in this work comprises a mixture of Ag NWs suspended in ethylene glycol directly taken after synthesis and isopropyl alcohol. Using such formulation saves time and loss of material while transferring to other solvents, which is the usual practice. The printed patterns demonstrate high conductivity and stability over many months, which can revolutionize the applications of functional nanomaterials in low-cost printed electronics. The importance of fragmentation of nanowires only to achieve specific aspect ratios, to facilitate easy jetting and to prevent clogging is demonstrated. Varied concentrations (10 mg mL(-1) to 50 mg mL(-1)) of Ag NWs are used in ink formulations in order to print highly conductive patterns (resistance \< 50 Omega sq(-1)) in a minimal number of passes. The same composition was also seen to facilitate simple and time-efficient nano-welding at room temperature, which improves the conductivity and stability of the printed patterns.
}, issn = {2516-0230}, doi = {10.1039/d0na00684j}, author = {Patil, Prathamesh and Patil, Suneha and Kate, Prachi and Kulkarni, Amol A.} } @article {47708, title = {An innovative light assisted production of acetic acid from CO2 and methanol: a first photocatalytic approach using a reusable cobalt(ii) molecular hybrid at atmospheric pressure}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {NOV}, pages = {9048-9060}, type = {Article}, abstract = {Acetic acid is an important commodity chemical that is produced either by fermentation processes, or more commonly, through chemical routes such as methanol carbonylation with CO and H-2, acetaldehyde oxidation, or hydrocarbon oxidation. More recently, methanol hydrocarboxylation with CO2 and H-2 under thermal catalytic conditions has attracted interest. The synthesis of acetic acid from easily available CO2 is of great significance yet rarely reported. The present paper describes the first photocatalytic approach for the synthesis of acetic acid from methanol and CO2 under ambient reaction conditions without using molecular hydrogen. The maximum conversion of methanol achieved is 60\% with a selectivity of 81\% towards acetic acid using an octa-sulfur bound cobalt phthalocyanine (CoPc/S8) photocatalyst without an additional sacrificial electron donor. Product analysis, controlled experiments and DFT calculations suggest the formation of methylene carbene as a reactive intermediate. The developed methodology represents a potentially exciting approach for synthesizing acetic acid utilizing CO2 in a sustainable manner.}, issn = {1463-9262}, doi = {10.1039/d1gc02728j}, author = {Saini, Sandhya and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Ray, Anjan and Jain, Suman L.} } @article {47107, title = {Insertion copolymerization of functional olefins: Quo Vadis?}, journal = {European Polymer Journal}, volume = {143}, year = {2021}, month = {JAN }, pages = {110183}, type = {Article}, abstract = {
Functional polyethylene is a specialty polymer with unique set of properties and caters to a niche market. Currently, it is manufactured using high-pressure, high-temperature radical polymerization, or post-reactor (indirect) modification methods. Insertion copolymerization of functional olefins with ethylene provides a low pressure, direct route to prepare functional polyethylenes. However, insertion copolymerization of functional olefins with ethylene poses several impediments and requires special considerations. This review presents the current strategies, examines the progress, and attempts to gauge the commercial potential of direct synthesis of functional polyethylene. The performance of late transition metal catalysts derived from a-diimine, imine-phenolate, phosphine-sulfonate, bis-phosphine-mono-oxide, carbene-phenolate, phosphine-phenolate and their derivatives in the insertion copolymerization of functional olefins with ethylene is evaluated. While catalyst designing is crucial, incorporation of polar olefins that can serve an additional purpose is equally important. Therefore, we have organized the review in the following sections, polar alkenes with- acrylates, acrylic acids, acetates, nitriles, ethers, halides, two functional groups, cross-linking groups, dynamic interactions/self-healing properties, additional function/purpose, renewable functional olefins, and examine the progress. Among these, acrylates have been most intensively investigated and have been successfully incorporated in the polyethylene main-chain. Ethylene, methyl acrylate copolymers prepared by direct copolymerization reveal comparable melting temperature to that of LLDPE (at similar co-monomer content) and unfold the commercial potential of these materials. Recent developments on the insertion copolymerization of renewable functional olefins and di-functional olefins have elicited significant interest. This strategy is being viewed as a means of reducing environmental impact and enabling high functional group density at the same extent of incorporation. The overview thus offers a succinct account of insertion copolymerization of functional olefins, sheds light on the copolymer microstructure/material properties, and initiates a discussion on the commercial potential of functional polyethylene.
}, keywords = {Catalyst, Functional polyethylene, functional polyolefins, Hydrophilic polyethylene, insertion copolymerization, Polyethylene}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2020.110183}, author = {Birajdar, Rajkumar S. and Chikkali, Samir H.} } @article {47390, title = {Insights from a pan India Sero-epidemiological survey (Phenome-India Cohort) for SARS-CoV2}, journal = {eLife}, volume = {10}, year = {2021}, month = {APR }, pages = {e66537}, type = {Article}, abstract = {
To understand the spread of SARS-CoV2, in August and September 2020, the Council of Scientific and Industrial Research (India) conducted a serosurvey across its constituent laboratories and centers across India. Of 10,427 volunteers, 1058 (10.14\%) tested positive for SARS-CoV2 anti-nucleocapsid (anti-NC) antibodies, 95\% of which had surrogate neutralization activity. Three-fourth of these recalled no symptoms. Repeat serology tests at 3 (n = 607) and 6 (n = 175) months showed stable anti-NC antibodies but declining neutralization activity. Local seropositivity was higher in densely populated cities and was inversely correlated with a 30-day change in regional test positivity rates (TPRs). Regional seropositivity above 10\% was associated with declining TPR. Personal factors associated with higher odds of seropositivity were high-exposure work (odds ratio, 95\% confidence interval, p value: 2.23, 1.92-2.59, \<0.0001), use of public transport (1.79, 1.43-2.24, \<0.0001), not smoking (1.52, 1.16-1.99, 0.0257), non-vegetarian diet (1.67, 1.41-1.99, \<0.0001), and B blood group (1.36, 1.15-1.61, 0.001).
}, issn = {2050-084X}, doi = {10.7554/eLife.66537}, author = {Naushin, Salwa and Sardana, Viren and Ujjainiya, Rajat and Bhatheja, Nitin and Kutum, Rintu and Bhaskar, Akash Kumar and Pradhan, Shalini and Prakash, Satyartha and Khan, Raju and Rawat, Birendra Singh and Tallapaka, Karthik Bharadwaj and Anumalla, Mahesh and Chandak, Giriraj Ratan and Lahiri, Amit and Kar, Susanta and Mulay, Shrikant Ramesh and Mugale, Madhav Nilakanth and Srivastava, Mrigank and Khan, Shaziya and Srivastava, Anjali and Tomar, Bhawana and Veerapandian, Murugan and Venkatachalam, Ganesh and Vijayakumar, Selvamani Raja and Agarwal, Ajay and Gupta, Dinesh and Halami, Prakash M. and Peddha, Muthukumar Serva and Sundaram, Gopinath M. and Veeranna, Ravindra P. and Pal, Anirban and Agarwal, Vinay Kumar and Maurya, Anil Ku and Singh, Ranvijay Kumar and Raman, Ashok Kumar and Anandasadagopan, Suresh Kumar and Karuppanan, Parimala and Venkatesan, Subramanian and Sardana, Harish Kumar and Kothari, Anamika and Jain, Rishabh and Thakur, Anupama and Parihar, Devendra Singh and Saifi, Anas and Kaur, Jasleen and Kumar, Virendra and Mishra, Avinash and Gogeri, Iranna and Rayasam, Geethavani and Singh, Praveen and Chakraborty, Rahul and Chaturvedi, Gaura and Karunakar, Pinreddy and Yadav, Rohit and Singhmar, Sunanda and Singh, Dayanidhi and Sarkar, Sharmistha and Bhattacharya, Purbasha and Acharya, Sundaram and Singh, Vandana and Verma, Shweta and Soni, Drishti and Seth, Surabhi and Vashisht, Sakshi and Thakran, Sarita and Fatima, Firdaus and Singh, Akash Pratap and Sharma, Akanksha and Sharma, Babita and Subramanian, Manikandan and Padwad, Yogendra S. and Hallan, Vipin and Patial, Vikram and Singh, Damanpreet and Tripude, Narendra Vijay and Chakrabarti, Partha and Maity, Sujay Krishna and Ganguly, Dipyaman and Sarkar, Jit and Ramakrishna, Sistla and Kumar, Balthu Narender and Kumar, Kiran A. and Gandhi, Sumit G. and Jamwal, Piyush Singh and Chouhan, Rekha and Jamwal, Vijay Lakshmi and Kapoor, Nitika and Ghosh, Debashish and Thakkar, Ghanshyam and Subudhi, Umakanta and Sen, Pradip and Chaudhury, Saumya Ray and Kumar, Rashmi and Gupta, Pawan and Tuli, Amit and Sharma, Deepak and Ringe, Rajesh P. and Amarnarayan, D. and Kulkarni, Mahesh and Shanmugam, Dhansekaran and Dharne, Mahesh S. and Dastager, Sayed G. and Joshi, Rakesh and Patil, Amita P. and Mahajan, Sachin N. and Khan, Abujunaid Habib and Wagh, Vasudev and Yadav, Rakesh Kumar and Khilari, Ajinkya and Bhadange, Mayuri and Chaurasiya, Arvindkumar H. and Kulsange, Shabda E. and Khairnar, Krishna and Paranjape, Shilpa and Kalita, Jatin and Sastry, Narahari G. and Phukan, Tridip and Manna, Prasenjit and Romi, Wahengbam and Bharali, Pankaj and Ozah, Dibyajyoti and Sahu, Ravi Kumar and Babu, Elapavalooru Vssk and Sukumaran, Rajeev and Nair, Aiswarya R. and Valappil, Prajeesh Kooloth and Puthiyamadam, Anoop and Velayudhanpillai, Adarsh and Chodankar, Kalpana and Damare, Samir and Madhavi, Yennapu and Aggarwal, Ved Varun and Dahiya, Sumit and Agrawal, Anurag and Dash, Debasis and Sengupta, Shantanu} } @article {47602, title = {Insights into chemical reactions at the beginning of the universe: from HeH+ to H-3 (+)}, journal = {Frontiers in Chemistry}, volume = {9}, year = {2021}, month = {JUN }, pages = {679750}, type = {Article}, abstract = {At the dawn of the Universe, the ions of the light elements produced in the Big Bang nucleosynthesis recombined with each other. In our present study, we have tried to mimic the conditions in the early Universe to show how the recombination process would have led to the formation of the first ever formed diatomic species of the Universe: HeH+, as well as the subsequent processes that would have led to the formation of the simplest triatomic species: H-3 (+). We have also studied some special cases: higher positive charge with fewer number of hydrogen atoms in a dense atmosphere, and the formation of unusual and interesting linear, dicationic He chains beginning from light elements He and H in a positively charged atmosphere. For all the simulations, the ab initio nanoreactor (AINR) dynamics method has been employed.}, keywords = {ab initio molecular dynamics, ab initio nanoreactor, Density functional theory, origin of molecules in the universe, the earliest lewis acid}, issn = {2296-2646}, doi = {10.3389/fchem.2021.679750}, author = {Dash, Soumya Ranjan and Das, Tamal and Vanka, Kumar} } @article {46630, title = {Insights into the nature of self-extinguishing external donors for ziegler-natta catalysis: a combined experimental and DFT study}, journal = {ChemCatChem}, volume = {13}, year = {2021}, month = {JAN }, pages = {674-681}, type = {Article}, abstract = {
Developing donors for Ziegler-Natta (ZN) catalysis to control the polymerization reaction and produce polymers with desirable properties has always been challenging due to the multi-component nature of the catalytic systems. Here, we have developed a new synthetic protocol for making two external donors, D-1 (2,2,2-trifluoroethyl myristate) and D-2 (2,2,2-trifluoroethyl palmitate) that show self-extinguishing properties, followed by a systematic DFT study to understand this peculiar property of these donors. D-1 and D-2 can undergo parallel reactions with aluminum and titanium species present in the system to produce ketones and aldehydes, which are poisons for ZN catalytic systems, thus explaining their self-extinguishing nature. The non-covalent interaction between the long alkyl chain of the donors with the surface plays a vital role in determining the donors {\textquoteleft} self-extinguishing nature. There is a significant thermodynamic preference for the binding of the donor with the longer alkyl chain at the titanium center. The current work, therefore, provides interesting insights into how self-extinguishing donors function in ZN catalytic systems.
}, keywords = {DFT, donors, non-covalent interactions, self-extinguishing, Ziegler-Natta catalysis}, issn = {1867-3880}, doi = {10.1002/cctc.202001493, Early Access Date = NOV 2020}, author = {Vipin Raj, K. and Kumawat, Jugal and Dhamaniya, Sunil and Subaramanian, Murugan and Balaraman, Ekambaram and Kumar Gupta, Virendra and Vanka, Kumar and Grubbs, Robert H.} } @article {47754, title = {In-situ experimental and computational approach to investigate the nature of active site in low-temperature CO-PROX over CuOx-CeO2 catalyst}, journal = {Applied Catalysis A-General}, volume = {624}, year = {2021}, month = {AUG }, pages = {118305}, type = {Article}, abstract = {Preferential oxidation (PROX) of carbon monoxide (CO) in presence of excess hydrogen is a necessity to prevent poisoning of the Pt-anode by CO in PEMFCs (Polymer Electrolyte Membrane Fuel Cell). A highly active catalyst, 5 wt\% Cu-CeO2 showed 100 \% CO conversion at 65 degrees C without any undesirable oxidation of H-2. The catalyst showed no deactivation even after 100 h on stream, making it viable for practical fuel cell application. Operando EPR in the PROX reaction condition revealed highly dispersed mixed valent cations with oxygen vacancies, responsible for the low-temperature PROX activity. At the active site, both Cu and Ce ions were shown to reversibly change their valence states to facilitate the abstraction of bridging lattice oxygen for CO oxidation to CO2. This surface oxygen mediated CO oxidation was found to be much faster than that of H-2 to H2O, which could explain the complete selectivity of oxygen for CO2 formation.}, keywords = {CuOx-CeO2, interface, Oxygen vacancy, PROX, Synergistic}, issn = {0926-860X}, doi = {10.1016/j.apcata.2021.118305}, author = {Adak, Shubhadeep and Rabeah, Jabor and Ranjan, Ravi and Khan, Tuhin Suvra and Poddar, Mukesh Kumar and Gupta, Rishi Kumar and Sasaki, Takehiko and Kumar, Sagar and Bordoloi, Ankur and Gopinath, Chinnakonda S. and Bruckner, Angelika and Bal, Rajaram} } @article {47113, title = {Integrated genetic and metabolic landscapes predict vulnerabilities of temozolomide resistant glioblastoma cells}, journal = {npj Systems Biology and Applications}, volume = {7}, year = {2021}, month = {JAN }, pages = {2}, type = {Article}, abstract = {
Metabolic reprogramming and its molecular underpinnings are critical to unravel the duality of cancer cell function and chemo-resistance. Here, we use a constraints-based integrated approach to delineate the interplay between metabolism and epigenetics, hardwired in the genome, to shape temozolomide (TMZ) resistance. Differential metabolism was identified in response to TMZ at varying concentrations in both the resistant neurospheroidal (NSP) and the susceptible (U87MG) glioblastoma cell-lines. The genetic basis of this metabolic adaptation was characterized by whole exome sequencing that identified mutations in signaling pathway regulators of growth and energy metabolism. Remarkably, our integrated approach identified rewiring in glycolysis, TCA cycle, malate aspartate shunt, and oxidative phosphorylation pathways. The differential killing of TMZ resistant NSP by Rotenone at low concentrations with an IC50 value of 5 nM, three orders of magnitude lower than for U87MG that exhibited an IC50 value of 1.8 mM was thus identified using our integrated systems-based approach.
}, doi = {10.1038/s41540-020-00161-7}, author = {Immanuel, Selva Rupa Christinal and Ghanate, Avinash D. and Parmar, Dharmeshkumar S. and Yadav, Ritu and Uthup, Riya and Panchagnula, Venkateswarlu and Raghunathan, Anu} } @article {47073, title = {Interatomic Coulombic decay in Neon-Helium cluster: a complex absorbing potential based equation-of-motion coupled cluster investigation}, journal = {Molecular Physics}, volume = {119}, year = {2021}, month = {MAY}, pages = {e1884300}, type = {Article}, abstract = {
The interatomic Coulombic decay (ICD) of the Ne(2s(-1)) and Ne(2s(-1)2p(-1)) states in neon-helium dimer is studied using highly accurate complex absorbing potential based equation-of-motion coupled cluster (CAP-EOMCC) method. The ICD decay process for the Ne(2s(-1)) state in neon-helium dimer is closed at its equilibrium bond distance. However, the decay channel is open at large bond distance of 6.2 angstrom. The decay channel for the double ionised Ne(2s(-1)2p(-1)) state is open at 3.46 angstrom. From our calculations, we have noticed that the decay rate of Ne(2s(-1)2p(-1)) state in neon-helium dimer is four times faster compared to the Ne(2s(-1)) state. We have also investigated how the decay rate of Ne(2s(-1)) state in neon-helium cluster varies in the presence of different helium environment. [GRAPHICS] .
}, keywords = {double ionised state, equation-of-motion coupled cluster (EOMCC), He droplet, interatomic Coulombic decay (ICD)}, issn = {0026-8976}, doi = {10.1080/00268976.2021.1884300, Early Access Date = FEB 2021}, author = {Ghosh, Aryya and Pal, Sourav and Vaval, Nayana} } @article {47120, title = {Interconnected polyaniline nanostructures: enhanced interface for better supercapacitance retention}, journal = {Polymer}, volume = {212}, year = {2021}, month = {JAN }, pages = {123169}, type = {Article}, abstract = {
Polyaniline and its nanocomposites have emerged as desirable electrode materials for supercapacitors. However, achieving specific capacitance with long-term cyclic stability is still a challenge. The present study reports on novel hierarchically porous and cross-linked polyaniline synthesized by a method employing aniline (monomer) and phytic acid (dopant acid) in the presence of octyltrimethyl ammonium bromide (OTAB) surfactant. The electrochemical performance of the phytic acid doped sample has been compared with HCl doped samples, the former being superior, i.e., a specific capacitance of 523 and 325 F g(-1) at current densities of 0.25 and 10 A g(-1), respectively. Additionally, the same possess excellent cycling stability with retention of similar to 88\% of its initial capacitance over 10,000 charge-discharge cycles. Further, the phytic acid doped sample exhibited a lower equivalent series resistance (0.98 Omega cm(2)) than the HCl doped sample (1.26 Omega cm(2)). These results reveal the capability of the phytic acid doped hierarchical polyaniline sample as a promising active material for electrochemical applications.
}, keywords = {Cyclic stability, Hierarchical polyaniline, Supercapacitance retention}, issn = {0032-3861}, doi = {10.1016/j.polymer.2020.123169}, author = {Mooss, Vandana A. and Vijayakumar, Vidyanand and Kurungot, Sreekumar and Athawale, Anjali A.} } @article {47625, title = {Intermolecular interception of alpha-oxo gold carbenes of nitroalkyne cycloisomerization with 1, 2-benzo[d]isoxazole: synthesis of functionalized quinazoline 1-oxides}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {AUG }, pages = {10874-10882}, type = {Article}, abstract = {The known nitrogen-transfer reagent 1,2-benzo[d]isoxazole has been used to trap the postulated a-oxo gold carbene intermediate involved in the [Au]-catalyzed internal redox process of 2-alkynylnitrobenzenes. This process led us to develop a general convergent method for the synthesis of highly functionalized quinazoline 1-oxides.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c01221}, author = {Dhote, Pawan S. and Pund, Kishor A. and Ramana, V, Chepuri} } @article {47407, title = {Interrupting the [Au]-catalyzed nitroalkyne cycloisomerization: trapping the putative alpha-oxo gold carbene with benzo[c]isoxazole}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {APR }, pages = {2632-2637}, type = {Article}, abstract = {
The [Au]-catalyzed nitroalkyne cycloisomerization of 2-alkynylnitrobenzenes leading to anthranils has been interrupted by possible trapping of the postulated intermediate alpha-oxo gold carbene with an external nucleophile such as benzo[c]isoxazole (anthranil). At the outset, this provides a simple synthesis of highly functionalized 3-acyl-(2-formylphenyl)-2H-indazoles with the sequential C-O, C-N, and N-N bond formations. This provides indirect support for the existence of alpha-oxo gold carbenes in the [Au]-catalyzed internal redox processes of nitroalkynes.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c00539}, author = {Dhote, Pawan S. and Ramana, V, Chepuri} } @article {47587, title = {Intramolecularly double-donor-stabilized stannylene and its coordination towards Ag(I) and Au(I) centers}, journal = {Chemistry-An Asian Journal}, volume = {16}, year = {2021}, month = {AUG }, pages = {2118-2125}, type = {Article}, abstract = {The intramolecularly double-donor-stabilized stannylene 1 has been synthesized from the salt-metathesis reaction between two equivalents of lithium pyridine ene-amide L1 and SnCl2. Compound 1 exhibits dipolar behavior when reacted with B(C6F5)(3) leading to the zwitterionic compound 2. The reaction of 1 with one equivalent and 0.5 equivalent of AgOTf (OTf=trifluoromethane sulfonate) result in the formation of a stannylene-AgOTf complex 3 and a homoleptic distannylene-silver ionic complex 4, respectively. Analogous to complex 4, the gold(I) complex 5 has been synthesized from the reaction between two equivalents of 1 and 0.5 equivalent of AuCl.SMe2/Me3SiOTf. Complex 5 is the first example of homoleptic stannylene-Au(I) ionic complex among the very scarce reports on stannylene-gold(I) coordination complexes. All compounds have been structurally characterized using single crystal X-ray crystallography. Solution-state characterization have been performed using multinuclear NMR techniques. Detailed DFT calculations on the optimized geometries 1 o, 3 o-5 o reveal the change in sp- hybridization on the pyramidal Sn(II) center upon metal coordination and their bonding overlaps.}, keywords = {coordination, gold cation, hybridization, intramolecular donor, stannylene}, issn = {1861-4728}, doi = {10.1002/asia.202100523}, author = {Chibde, Purva and Raut, Ravindra K. and Kumar, Vikas and Deb, Rahul and Gonnade, Rajesh and Majumdar, Moumita} } @article {47751, title = {Ionic conductivity of Na3Al2P3O12 glass electrolytes role of charge compensators}, journal = {Inorganic Chemistry}, volume = {60}, year = {2021}, month = {SEP }, pages = {12893-12905}, type = {Article}, abstract = {In glasses, a sodium ion (Na+) is a significant mobile cation that takes up a dual role, that is, as a charge compensator and also as a network modifier. As a network modifier, Na+ cations modify the structural distributions and create nonbridging oxygens. As a charge compensator, Na+ cations provide imbalanced charge for oxygen that is linked between two network-forming tetrahedra. However, the factors controlling the mobility of Na+ ions in glasses, which in turn affects the ionic conductivity, remain unclear. In the current work, using high-fidelity experiments and atomistic simulations, we demonstrate that the ionic conductivity of the Na3Al2P3O12 (Si0) glass material is dependent not only on the concentration of Na+ charge carriers but also on the number of charge-compensated oxygens within its first coordination sphere. To investigate, we chose a series of glasses formulated by the substitution of Si for P in Si0 glass based on the hypothesis that Si substitution in the presence of Na+ cations increases the number of SiOAl bonds, which enhances the role of Na as a charge compensator. The structural and conductivity properties of bulk glass materials are evaluated by molecular dynamics (MD) simulations, magic angle spinning-nuclear magnetic resonance, Raman spectroscopy, and impedance spectroscopy. We observe that the increasing number of charge-imbalanced bridging oxygens (BOs) with the substitution of Si for P in Si0 glass enhances the ionic conductivity by an order of magnitudefrom 3.7 x 10(-8) S.cm(-1) to 3.3 x 10(7) S.cm(-1) at 100 degrees C. By rigorously quantifying the channel regions in the glass structure, using MD simulations, we demonstrate that the enhanced ionic conductivity can be attributed to the increased connectivity of Na-rich channels because of the increased charge-compensated BOs around the Na atoms. Overall, this study provides new insights for designing next-generation glass-based electrolytes with superior ionic conductivity for Na-ion batteries}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.1c01280}, author = {Keshri, Shweta R. and Ganisetti, Sudheer and Kumar, Rajesh and Gaddam, Anuraag and Illath, Kavya and Ajithkumar, Thalasseril G. and Balaji, Sathravada and Annapurna, K. and Nasani, Narendar and Krishnan, N. M. Anoop and Allu, Amarnath R.} } @article {47652, title = {Iron catalyzed tandem ring opening/1,6-conjugate addition of cyclopropanols with p-quinone methides: new access to gamma,gamma-diaryl ketones}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {DEC }, pages = {13582-13585}, type = {Article}, abstract = {An iron(iii) catalyzed tandem ring opening/1,6-conjugate addition of cyclopropanols to p-quinone methides leading to gamma,gamma-diaryl ketones has been described. This catalytic protocol provides a novel and efficient method to access gamma,gamma-diaryl ketone derivatives in good to excellent yields with high functional group tolerance. Importantly, gamma,gamma-diaryl ketone can be further functionalized to give a versatile set of useful products.}, issn = {1359-7345}, doi = {10.1039/d1cc05997a}, author = {Shirsath, Sachin R. and Chandgude, Sagar M. and Muthukrishnan, M.} } @article {46661, title = {Kinetics of 1-decene hydroformylation in an aqueous biphasic medium using a water-soluble Rh-sulfoxantphos catalyst in the presence of a cosolvent}, journal = {International Journal of Chemical Kinetics}, volume = {53}, year = {2021}, month = {MAR}, pages = {333-344}, type = {Article}, abstract = {
The kinetics of hydroformylation of 1-decene has been studied in an aqueous biphasic medium using a water-soluble Rh-sulfoxantphos catalyst in the presence of N-methyl pyrrolidone as a cosolvent at 383-403 K. The rate was found to be first order, with concentrations of catalyst and olefin and partial order, with concentrations of hydrogen in the liquid phase. The plot of rate versus excess ligand and CO concentrations passed through maxima, indicating negative order dependence at higher concentrations. These trends have been interpreted based on the established hydroformylation mechanism. High selectivity towards the linear aldehyde was maintained (n: iso ratio \> 30). An empirical rate equation has been proposed which was found to be in good agreement with the observed rate data within the experimental error. The activation energy was evaluated to be 74.76 kJ/mol.
}, keywords = {1\&\#8208, aqueous\&\#8208, biphasic, cosolvent, decene, Hydroformylation, kinetics, rh\&\#8208, sulfoxantphos}, issn = {0538-8066}, doi = {10.1002/kin.21446, Early Access Date = OCT 2020}, author = {Pagar, Nitin S. and Deshpande, Raj M.} } @article {47728, title = {Lamellar bimetallic thiolates: synthesis, characterization, and their utilization for the preparation of bimetallic chalcogenide nanocrystals through mechanochemical grinding}, journal = {Advanced Materials Interfaces}, volume = {8}, year = {2021}, month = {DEC}, pages = {2100898}, type = {Article}, abstract = {Thiolates of single metal ions are known to exist as lamellar structures in the neat state and some of these metal thiolates can be delaminated into individual molecular sheets simply by adding a nonpolar organic solvent. It is established here that even bimetallic thiolates such as copper-indium thiolate and silver-indium thiolate exist as lamellar sheets. Each of these sheets consists of both metal ions arranged in a random fashion. It is also demonstrated that these bimetallic thiolates can be employed as single source precursors to prepare phase pure bimetallic chalcogenide nanocrystals (NCs) through mechanochemical routes by grinding them with an appropriate chalcogenide source. Notably, these bimetallic chalcogenide NCs, though synthesized in the absence of any solvent, get easily dispersed in nonpolar solvents as their surface is protected by the thiolate molecules released during the grinding process. These ternary NCs display a strong and tunable photoluminescence in the visible to near-infrared region. Based on detailed systematic studies it is concluded that to obtain phase pure bimetallic sulfide/selenide NCs bimetallic thiolates, consisting of both metal ions in each sheet, must be used as single source precursors and physical mixtures of individual thiolates do not afford such phase pure materials.}, keywords = {bimetallic chalcogenide nanocrystals, bimetallic thiolate, mechanochemical grinding}, issn = {2196-7350}, doi = {10.1002/admi.202100898}, author = {Bera, Abhijit and Pathak, Sushil S. and Kotha, Vishal and Prasad, V, Bhagavatula L.} } @article {47775, title = {Laser cladding of PAC 718, tribaloy T-700 and METCO 41 C hard facing powders on AISI SS 304L substrate}, journal = { Materials Science}, year = {2021}, month = {FEB}, type = {Article}, abstract = {The present investigation aims to deposit the three different hard facing powder (Triboloy T-700 and PAC 718, and TETCO 41 C) on SS 304L using laser cladding technique. The single and overlapped clad track was deposited using 2 kW laser power system. The optimized laser process parameters and 50\% overlap clad track was used to deposit a large surface area. The optimum laser process parameters were finalised using single clad structure study. The cross-sections of the clad layers were used to obtain the microstructure and micro-hardness from different regions namely, clad layer, diffusion layer, and substrate. Throughout the study, the laser power was kept constant i.e. 1.2 kW. For single clad deposition, the scanning speed and powder feed rate varied from 0.3 to 0.5 m/min and 4 to 9 g/min, respectively. T-700 and PAC 718 shows uniform developing micro-structure while METCO 41 C shows the development of mixed dendritic and cellular type microstructure. The Triboloy shows the maximum surface hardness of 534 Hv, 321 Hv for PAC 718, and 294 Hv for METCO 41 C.}, doi = {10.5829/IJE.2021.34.02B.20}, author = {More, S. R. and Bhatt, D. V. and Menghani, J. and Paul, C. P. and Desale, G. R.} } @article {47130, title = {Laser patterning of boron carbon nitride electrodes for flexible micro-supercapacitor with remarkable electrochemical stability/capacity}, journal = {Carbon}, volume = {171}, year = {2021}, month = {JAN}, pages = {750-757}, type = {Article}, abstract = {
High performance, all solid-state planar micro-supercapacitor (MSC) with interdigitated Boron carbon Nitride (BCN) electrodes are fabricated via fast, scalable laser patterning technique. Heteroatom doping desirably enhances the electrochemical activity of carbon electrodes. This BCN based micro-supercapacitor showed comparatively very high specific capacitance of 72 mFcm(-2) at a current density of 0.15 mAcm(-2). Even at a high current density of 1 mAcm(-2) device showed specific capacitance as high as 17 mFcm(-2). It has demonstrated excellent electrochemical stability when tested up to 80000 cycles without any sign of further decay in capacity/efficiency. This device showed stable capacity even after bending at 150 degrees angle, for 1500 times during cycling showing remarkable flexibility. (C) 2020 Elsevier Ltd. All rights reserved.
}, keywords = {BCN, Co-doping, Energy storage, Flexible, Laser patterning, Micro-supercapacitor}, issn = {0008-6223}, doi = {10.1016/j.carbon.2020.09.053}, author = {Karbhal, Indrapal and Basu, Aniruddha and Patrike, Apurva and Shelke, Manjusha V.} } @article {47418, title = {Lead-free zero dimensional tellurium(iv) chloride-organic hybrid with strong room temperature emission as a luminescent material}, journal = {Journal of Materials Chemistry C}, volume = {9}, year = {2021}, month = {MAR }, pages = {4351-4358}, type = {Article}, abstract = {
Despite the current progress in {\textquoteleft}Pb-free{\textquoteright} low dimensional main group metal halide based luminescent materials, it is challenging to synthesize Te(iv) halide hybrids with strong ambient emission with excitation features in the visible range as efficient and stable phosphors for potential lighting applications. Reported here is a (benzyltriethylammonium)(2)TeCl6 zero dimensional hybrid material with excitation features in the visible range and strong room temperature, broadband, intrinsic luminescence (PLQY similar to 15\%) arising due to self-trapped excitons (STEs). Furthermore, a proof-of-concept LED architecture demonstrates successful optical down-conversion with a visible light excitation source. Here, exclusive adoption of a {\textquoteleft}regular{\textquoteright} octahedral Te(iv)-halide unit structure with minimal static distortion provides a unique opportunity to unmask the role played by 5s(2) lone pair electrons in shaping the emissive properties. This effort may open up new avenues towards unravelling the role of lone pair stereoactivity in controlling the PLQY in low dimensional hybrids that has proven to be challenging for the reported (Sb, Sn) based low dimensional 5s(2) metal halide hybrid materials.
}, issn = {2050-7526}, doi = {10.1039/d0tc05752e}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Bahadur, Vir and Biswas, Chinmoy and Mali, Bhupendra P. and Raavi, Sai Santosh Kumar and Gonnade, Rajesh G. and Kundu, Janardan} } @article {47685, title = {L-Histidine-derived smart antifouling biohybrid with multistimuli responsivity}, journal = {Biomacromolecules}, volume = {22}, year = {2021}, month = {SEP}, pages = {3941-3949}, type = {Article}, abstract = {A novel dual pH/thermoresponsive amphiphilic poly(histidine methacrylamide)-block-hydroxyl-terminated polybutadiene-block-poly(histidine methacrylamide) (PHisMAM-b-PB-b-PHisMAM) triblock copolymer biohybrid, composed of hydrophobic PB and ampholytic PHisMAM segments, is developed via direct switching from living anionic polymerization to recyclable nanoparticle catalyst-mediated reversible-deactivation radical polymerization (RDRP). The transformation involved in situ postpolymerization modification of living polybutadiene-based carbanionic species, end-capped with ethylene oxide, into dihydroxyl-terminated polybutadiene and a subsequent reaction with 2-bromo-2-methylpropionyl bromide resulting in a telechelic ATRP macroinitiator (Br-PB-Br). Br-PB-Br was used to mediate RDRP of an L-histidine-derived monomer, HisMAM, yielding a series of PHisMAM-b-PB-b-PHisMAM triblock copolymers. The copolymer{\textquoteright}s stimuli response was assessed against pH and temperature changes. The copolymer is capable of switching among its zwitterionic, anionic, and cationic forms and exhibited unique antifouling properties in its zwitterionic form. These novel triblock copolymers are expected to be show promising potential in biomedical applications.}, issn = {1525-7797}, doi = {10.1021/acs.biomac.1c00748}, author = {Mohammad, Sk Arif and Dolui, Subrata and Kumar, Devendra and Mane, Shivshankar R. and Banerjee, Sanjib} } @article {47343, title = {Limonoid biosynthesis 3: functional characterization of crucial genes involved in neem limonoid biosynthesis (vol 184, 112669, 2021)}, journal = {Phytochemistry}, volume = {187}, year = {2021}, month = {JUL}, pages = {112751}, type = {Correction}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.112751}, author = {Pandreka, Avinash and Chaya, Patil S. and Kumar, Ashish and Aarthy, Thiagarayaselvam and Mulani, Fayaj A. and Bhagyashree, Date D. and Shilpashree, H. B. and Jennifer, Cheruvathur and Ponnusamy, Sudha and Nagegowda, Dinesh and Thulasiram, Hirekodathakallu V.} } @article {47033, title = {Limonoid biosynthesis 3: functional characterization of crucial genes involved in neem limonoid biosynthesis}, journal = {Phytochemistry}, volume = {184}, year = {2021}, month = {APR}, pages = {112669}, type = {Article}, abstract = {
Neem (Azadirachta indica L.) is well known for its medicinal, agricultural, and pesticidal applications since ages. The secondary metabolites, limonoids, confer these biological properties, wherein over 150 different limonoids have been reported from neem. To understand limonoid biosynthesis, we analyzed tissue-specific (kernel, pericarp, leaves, and flower) transcriptome that resulted in the identification of one farnesyl diphosphate synthase (AiFDS), one squalene synthase (AiSQS), three squalene epoxidases (AiSQE1, AiSQE2, and AiSQE3), two triterpene synthases (AiTTS1 and AiTTS2), cycloartenol synthase (AiCAS), two cytochrome P450 reductases, and ten cytochrome P450 systems. Comparative tissue-expression analysis indicated that AiFDS, AiSQS, AiSQE3, and AiTTS1 are expressed higher in the kernel than in the other tissues. Heterologously expressed recombinant AiTTS1 produced tirucalla-7,24-dien-3 beta-ol as the sole product. Expression profile data, phylogeny with triterpene synthases from Meliaceae and Rutaceae families, real-time PCR of different tissues, and transient transformation revealed the involvement of tirucalla-7,24-dien-3 beta-ol synthase (AiTTS1) in limonoid biosynthesis. Further, mutagenesis studies of AiTTS1 indicated that Y125 and F260 are probably involved in stabilization of dammarenyl cation. A 2.6-fold increase in production of tirucalla-7,24-dien-3 beta-ol was observed when AiSQE1 was coexpressed with mutant AiTTS1 in a yeast system. Furthermore, we functionally characterized the highly expressed cytochrome P450 reductases and cycloartenol synthase. This study helps in further analysis and identification of genes involved in limonoid biosynthesis in Meliaceae/Rutaceae and their production in a metabolically tractable heterologous system.
}, keywords = {24-dien-3 beta-ol, Azadirachta indica A. Juss., Cytochrome P450 system, Limonoids, Meliaceae, Tirucalla-7, Transcriptome}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.112669}, author = {Pandreka, Avinash and Chaya, Patil S. and Kumar, Ashish and Aarthy, Thiagarayaselvam and Mulani, Fayaj A. and Bhagyashree, Date D. and Shilpashree, H. B. and Jennifer, Cheruvathur and Ponnusamy, Sudha and Nagegowda, Dinesh and Thulasiram, V. Hirekodathakallu} } @article {47058, title = {Lithium compound catalyzed deoxygenative hydroboration of primary, secondary and tertiary amides}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {FEB}, pages = {2354-2358}, type = {Article}, abstract = {
A selective and efficient route for the deoxygenative reduction of primary to tertiary amides to corresponding amines has been achieved with pinacolborane (HBpin) using simple and readily accessible 2,6-di-tert-butyl phenolate lithium center dot THF (1a) as a catalyst. Both experimental and DFT studies provide mechanistic insight.
}, issn = {1477-9226}, doi = {10.1039/d1dt00364j}, author = {Bisai, Milan Kumar and Gour, Kritika and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47406, title = {Lithium silicate nanosheets with excellent capture capacity and kinetics with unprecedented stability for high-temperature CO2 capture}, journal = {Chemical Science}, volume = {12}, year = {2021}, month = {APR }, pages = {4825-4835}, type = {Article}, abstract = {
An excessive amount of CO2 is the leading cause of climate change, and hence, its reduction in the Earth{\textquoteright}s atmosphere is critical to stop further degradation of the environment. Although a large body of work has been carried out for post-combustion low-temperature CO2 capture, there are very few high temperature pre-combustion CO2 capture processes. Lithium silicate (Li4SiO4), one of the best known high-temperature CO2 capture sorbents, has two main challenges, moderate capture kinetics and poor sorbent stability. In this work, we have designed and synthesized lithium silicate nanosheets (LSNs), which showed high CO2 capture capacity (35.3 wt\% CO2 capture using 60\% CO2 feed gas, close to the theoretical value) with ultra-fast kinetics and enhanced stability at 650 degrees C. Due to the nanosheet morphology of the LSNs, they provided a good external surface for CO2 adsorption at every Li-site, yielding excellent CO2 capture capacity. The nanosheet morphology of the LSNs allowed efficient CO2 diffusion to ensure reaction with the entire sheet as well as providing extremely fast CO2 capture kinetics (0.22 g g(-1) min(-1)). Conventional lithium silicates are known to rapidly lose their capture capacity and kinetics within the first few cycles due to thick carbonate shell formation and also due to the sintering of sorbent particles; however, the LSNs were stable for at least 200 cycles without any loss in their capture capacity or kinetics. The LSNs neither formed a carbonate shell nor underwent sintering, allowing efficient adsorption-desorption cycling. We also proposed a new mechanism, a mixed-phase model, to explain the unique CO2 capture behavior of the LSNs, using detailed (i) kinetics experiments for both adsorption and desorption steps, (ii) in situ diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy measurements, (iii) depth-profiling X-ray photoelectron spectroscopy (XPS) of the sorbent after CO2 capture and (iv) theoretical investigation through systematic electronic structure calculations within the framework of density functional theory (DFT) formalism.
}, issn = {2041-6520}, doi = {10.1039/d0sc06843h}, author = {Belgamwar, Rajesh and Maity, Ayan and Das, Tisita and Chakraborty, Sudip and Vinod, Chathakudath P. and Polshettiwar, Vivek} } @article {47034, title = {Loss of a water-mediated network results in reduced agonist affinity in a beta(2)-adrenergic receptor clinical variant}, journal = {Biochimica ET Biophysica Acta-Proteins and Proteomics}, volume = {1869}, year = {2021}, month = {APR}, pages = {140605}, type = {Article}, abstract = {
The beta(2)-adrenergic receptor (beta(2)AR) is a member of the G protein-coupled receptor (GPCR) family that is an important drug target for asthma and COPD. Clinical studies coupled with biochemical data have identified a critical receptor variant, Thr164Ile, to have a reduced response to agonist-based therapy, although the molecular mechanism underlying this seemingly {\textquoteleft}{\textquoteleft}non-deleterious{\textquoteright}{\textquoteright} substitution is not clear. Here, we couple molecular dynamics simulations with network analysis and free-energy calculations to identify the molecular determinants underlying the differential drug response. We are able to identify hydration sites in the transmembrane domain that are essential to maintain the integrity of the binding site but are absent in the variant. The loss of these hydration sites in the variant correlates with perturbations in the intra-protein interaction network and rearrangements in the orthosteric ligand binding site. In conjunction, we observe an altered binding and reduced free energy of a series of agonists, in line with experimental trends. Our work identifies a functional allosteric pathway connected by specific hydration sites in beta(2)AR that has not been reported before and provides insight into water-mediated networks in GPCRs in general. Overall, the work is one of the first step towards developing variant-specific potent and selective agonists.
}, keywords = {beta(2)-Adrenergic receptor, G protein coupled receptor, GPCR, molecular dynamics, Pharmacogenetics, SNP}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2021.140605}, author = {Nikte, V. Siddhanta and Sonar, Krushna and Tandale, Aditi and Joshi, Manali and Sengupta, Durba} } @article {47649, title = {Lowering the C-H bond activation barrier of methane by means of SAC@Cu(111): periodic DFT investigations}, journal = {New Journal of Chemistry}, volume = {46}, year = {2021}, month = {DEC }, pages = {70-74}, type = {Article}, abstract = {Methane has long captured the world{\textquoteright}s attention for being the simplest yet one of the most notorious hydrocarbons. Exploring its potential to be converted into value-added products has raised compelling interest. In the present work, we have studied the efficiency of single-atom catalysts (SACs) for methane activation employing density functional theory (DFT). The climbing image-nudged elastic band (CI-NEB) method is used in tandem with the improved dimer (ID) method to determine the minimum energy pathway for the first C-H bond dissociation of methane. Our study reported that the transition-metal doped Cu(111) surfaces enhance the adsorption, activate the C-H bond, and reduce the activation barrier for first C-H bond cleavage of methane. The results suggest Ru-/Co-/Rh-doped Cu(111) as promising candidates for methane activation with a minimal activation barrier and a less endothermic reaction. For these SACs, the calculated activation barriers for the first C-H bond cleavage are 0.17 eV, 0.24 eV, and 0.26 eV respectively, which is substantially lower than 1.13 eV, the activation barrier for Cu(111).}, issn = {1144-0546}, doi = {10.1039/d1nj04525c}, author = {Bhati, Meema and Dhumal, Jignesh and Joshi, Kavita} } @article {47721, title = {Lsi2: A black box in plant silicon transport}, journal = {Plant and Soil}, volume = {466}, year = {2021}, month = {SEP}, pages = {1-20}, type = {Review}, abstract = {Background Silicon (Si) is widely considered a non-essential but beneficial element for higher plants, providing broad protection against various environmental stresses (both biotic and abiotic), particularly in species that can readily absorb the element. Two plasma-membrane proteins are known to coordinate the radial transport of Si (in the form of Si(OH)(4)) from soil to xylem within roots: the influx channel Lsi1 and the efflux transporter Lsi2. From a structural and mechanistic perspective, much more is known about Lsi1 (a member of the NIP-III subgroup of the Major Intrinsic Proteins) compared to Lsi2 (a putative Si(OH)(4)/H+ antiporter, with some homology to bacterial anion transporters). Scope Here, we critically review the current state of understanding regarding the physiological role and molecular characteristics of Lsi2. We demonstrate that the structure-function relationship of Lsi2 is largely uncharted and that the standing transport model requires much better supportive evidence. We also provide (to our knowledge) the most current and extensive phylogenetic analysis of Lsi2 from all fully sequenced higher-plant genomes. We end by suggesting research directions and hypotheses to elucidate the properties of Lsi2. Conclusions Given that Lsi2 is proposed to mediate xylem Si loading and thus root-to-shoot translocation and biosilicification, it is imperative that the field of Si transport focus its efforts on a better understanding of this important topic. With this review, we aim to stimulate and advance research in the field of Si transport and thus better exploit Si to improve crop resilience and agricultural output.}, keywords = {Efflux, Lsi2, Membrane transport, Root-to-shoot translocation, silicon, Xylem loading}, issn = {0032-079X}, doi = {10.1007/s11104-021-05061-1}, author = {Coskun, Devrim and Deshmukh, Rupesh and Shivaraj, S. M. and Isenring, Paul and Belanger, Richard R.} } @article {47392, title = {Machine learning classifiers aid virtual screening for efficient design of mini-protein therapeutics}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {38}, year = {2021}, month = {APR }, pages = {127852}, type = {Article}, abstract = {
De novo design of mini-proteins (4-12 kDa) has recently been shown to produce new candidates for protein therapeutics. They are temperature stable molecules that bind to the drug target with high affinity for inhibiting its interactions. The development of mini-protein binders requires laboratory screening of tens of thousands of molecules for effective target binding. In this study we trained machine learning classifiers which can distinguish, with 90\% accuracy and 80\% precision, mini-protein binders from non-binding molecules designed for a particular target; this significantly reduces the number of mini protein candidates for experimental screening. Further, on the basis of our results we propose a multi-stage protocol where a small dataset (few hundred experimentally verified target-specific mini-proteins) can be used to train classifiers for improving the efficiency of mini-protein design for any specific target.
}, keywords = {Drug design, machine learning, Mini-proteins, Protein therapeutics, virtual screening}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2021.127852}, author = {Gaur, Neeraj K. and Goyal, Venuka Durani and Kulkarni, Kiran and Makde, Ravindra D.} } @article {47681, title = {Magnetic and magnetoelastic properties of Ni-substituted cobalt ferrite}, journal = {IEEE Magnetics Letters}, volume = {12}, year = {2021}, month = {JAN}, pages = {2504205}, type = {Article}, abstract = {In this letter, magnetic and magnetostriction studies were performed on spinel ferrite Co1-xNixFe2O4 (CNF series) with 0.0 < x < 0.5. All the samples were synthesized by the conventional ceramic method and confirmed to be forming pure spinel phase. The unit cell parameter showed gradual decrease with increasing Ni content. A linear decrease in saturation magnetization (M-s) and coercivity (H-c) was observed with increasing Ni substitution, which could be attributed to reduced magneto-crystalline anisotropy. The room temperature magnetostriction studies revealed a slow decrease in maximum magnetostriction, and interestingly, for 20\% reduction of cobalt concentration, i.e., for x = 0.2, a magnetostrictive strain of -164 ppm and substantially high stress sensitivity of -56 x 10(-6) A(-1) m were observed, making Co0.8Ni0.2Fe2O4 suitable for application as a magnetostrictive stress-sensing material.}, keywords = {Ferrite, Magnetism in solids, Magnetostriction, oxide, stress sensing}, issn = {1949-307X}, doi = {10.1109/LMAG.2021.3120942}, author = {Bhame, Shekhar D. and Shirolkar, Mandar M. and Joy, Pattayil A.} } @article {47622, title = {Manipulating hydrophobicity of polyester nanofiber mats with egg albumin to enhance cell interactions}, journal = {Polymer Engineering and Science}, volume = {61}, year = {2021}, month = {OCT}, pages = {2496-2510}, type = {Article}, abstract = {A hybrid of poly-l-lactic acid (PLA) and poly-epsilon-caprolactone (PCL) system was designed using hydrophilic generally regarded as safe (GRAS) protein, egg albumin (EA), and fabricated as nanofiber mats (NM) to facilitate improved cell interactions and functionality. Our studies include, preparation and analysis of physicochemical properties of NM. Surface morphology of NM was smooth with the diameter ranging from 250 to 400 nm. The contact angle of NM decreased from 80 to 45 degrees with the increase in EA concentration. The rate and extent of swelling was increased 3-folds with the addition of EA. Release studies of NM showed maximum amount of MTz was released with the increase in MTz concentration (>85\%). The MTz interaction with EA and structure stability of EA was confirmed from fluorescence and circular dichroism studies. NM showed increase in inhibition of bacterial growth of Staphylococcus aureus and Escherichia coli with the increase in MTz concentration. Cell viability of the NM was >80\% and also, the cell proliferation increased as EA content increased. NM hemolytic activity was less than 5\% suggesting compatibility. Hence, results concluded that EA had regulated hydrophobicity, promoted cell interactions, and proliferation and therefore, NM is considered safe for tissue regeneration.}, keywords = {Biocompatibility, Biomaterials, drug delivery systems, egg albumin, electrospinning, nanofibers, polyesters}, issn = {0032-3888}, doi = {10.1002/pen.25776}, author = {Patel, Pratikshkumar R. and Pandey, Komal and Killi, Naresh and Gundloori, Rathna Venkata Naga} } @article {47575, title = {Mechanical and microstructural studies in a polysaccharide-acrylate double network hydrogel}, journal = {Journal of the Mechanical Behavior of Biomedical Materials}, volume = {124}, year = {2021}, month = {DEC}, pages = {104839}, type = {Article}, abstract = {Polymeric hydrogels continue to find a wide range of applications. However, a major drawback of hydrogels is the lack of mechanical strength. In this regard, {\textquoteleft}{\textquoteleft}Double Network Hydrogels{\textquoteright}{\textquoteright} (DN) have shown great promise recently. The toughness in DN hydrogels originates from the synergistic effect of two polymeric networks. In this work, we have synthesized a DN hydrogel consisting of a tightly cross linked carboxymethylcellulose (CMC) as the first network and loosely cross linked poly(hydroxyethylacrylate) (PHEA) as a second network (CMC-PHEADN). The required flexibility in the second network (PHEA) was induced by the presence of a small amount of stearyl methacrylate (SM) as a co-monomer in hydroxyl ethyl acrylate (HEA). The compressive strength of the CMC-PEHA-DN hydrogel was found to be 280 times more than that of CMC-SN hydrogel, and the presence of SM in DN hydrogels showed better recovery after deformation. Cell viability studies showed the biocompatibility of DN hydrogels. The micro-structural analysis of DN xerogels by 3D X-ray Microtomography indicated the presence of oriented pores in size range of 30-40 mu m. To the best of our knowledge, Microtomography was used for the first time to study the DN gels. These hydrogels can be used to develop implants that can withstand prolonged stress and expand the life span of implants.}, keywords = {Carboxymethyl cellulose, Double network hydrogels, Poly(hydroxyethyl acrylate), Poly(hydroxyethyl-co-stearyl methacrylate)}, issn = {1751-6161}, doi = {10.1016/j.jmbbm.2021.104839}, author = {Torris, Arun and Nair, Sanoop and Mol, K. P. Raji and Sengupta, Poulomi and Badiger, Manohar} } @article {47435, title = {Mechanical properties of anodic titanium dioxide nanostructures}, journal = {Materiali in Tehnologije}, volume = {55}, year = {2021}, month = {JAN}, pages = {19-24}, type = {Article}, abstract = {
Highly ordered and uniform titanium dioxide (TiO2) nanotubes (NTs) with different morphologies (15 nm, 50 nm and 100 nm in diameter) were prepared by the electrochemical anodization of Ti substrates. The TiO2 NTs{\textquoteright} surface properties were characterized by X-ray diffraction (XRD) spectroscopy, Raman spectroscopy, scanning electron microscopy (SEM) and atomic force microscopy (AFM). The elastic modulus (E) and the Vickers hardness (HV) of the Ti foil and of the different-morphology TiO2 NTs were evaluated with the nano-indentation technique. E and HV increase with the decreasing length/diameter of the NTs, meaning that NTs with smaller diameters are more resistant to mechanical wear. The elastic modulus of the TiO2 NTs with 15-nm and 50-nm diameters is similar to that of the human bone.
}, keywords = {Elastic modulus, mechanical properties, titanium dioxide (TiO2) nanotubes, Vickers hardness}, issn = {1580-2949}, doi = {10.17222/mit.2020.109}, author = {Kulkarni, Mukta and Sepitka, Josef and Junkar, Ita and Bencina, Metka and Rawat, Niharika and Mazare, Anca and Rode, Chandrashekhar and Gokhale, Suresh and Schmuki, Patrik and Daniel, Matej and Iglic, Ales} } @article {47430, title = {Mechanism of adhesion of natural polymer coatings to chemically modified siloxane polymer}, journal = {Langmuir}, volume = {37}, year = {2021}, month = {MAR }, pages = {2974-2984}, type = {Article}, abstract = {
Surface coatings play an important role in improving the performance of biomedical implants. Polydimethylsiloxane (PDMS) is a commonly used material for biomedical implants, and surface-coated PDMS implants frequently face problems such as delamination or cracking of the coating. In this work, we have measured the performance of nano-coatings of the biocompatible protein polymer silk fibroin (SF) on pristine as well as modified PDMS surfaces. The PDMS surfaces have been modified using oxygen plasma treatment and 3-amino-propyltriethoxy-silane (APTES) treatment. Although these techniques of PDMS modification have been known, their effects on adhesion of SF nano-coatings have not been studied. Interestingly, testing of the coated samples using a bulk technique such as tensile and bending deformation showed that the SF nano-coating exhibits improved crack resistance when the PDMS surface has been modified using APTES treatment as compared to an oxygen plasma treatment. These results were validated at the microscopic and mesoscopic length scales through nano-scratch and nano-indentation measurements. Further, we developed a unique method using modified atomic force microscopy to measure the adhesive energy between treated PDMS surfaces and SF molecules. These measurements indicated that the adhesive strength of PDMS-APTES-SF is 10 times more compared to PDMS-O-2-SF due to the higher number of molecular linkages formed in this nanoscale contact. This lower number of molecular linkages in the PDMS-O-2 indicates that only fewer numbers of surface hydroxyl groups interact with the SF protein through secondary interactions such as hydrogen bonding. On the other hand, a larger number of amine groups present on PDMS-APTES surface hydrogen bond with the polar amino acids present on the silk fibroin protein chain, resulting in better adhesion. Thus, APTES modification to the PDMS substrate results in improved adhesion of nano-coating to the substrate and enhances the delamination and crack resistance of the nano-coatings.
}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.1c00047}, author = {Joseph, Emmanuel and Rajput, Shatruhan Singh and Patil, Shivprasad and Nisal, Anuya} } @article {47627, title = {Mechanistic investigations on the catalytic transfer hydrogenation of lignin-derived monomers over Ru catalysts: theoretical and kinetic studies}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {9}, year = {2021}, month = {OCT}, pages = {14040-14050}, type = {Article}, abstract = {The hydrodeoxygenation (HDO) reaction of oxygenated compounds such as lignin-derived phenolics is well studied using molecular H-2 as a hydrogen source, yet the use of high pressures discourages its use on an industrial scale. As an alternative, the catalytic transfer hydrogenation (CTH) pathway provides in situ hydrogenation species, which reduces the need for the high-pressure infrastructure required when molecular hydrogen is used. Nevertheless, this strategy is scantly studied, and in lieu with this, herein we report the kinetic and mechanistic investigations of the CTH strategy for the HDO of guaiacol, phenol, anisole veratrole, and eugenol to their respective products. For potential commercialization purposes, low loading of metal, milder reaction conditions, and high selectivity toward desired products with a high H/C ratio were considered while designing catalysts (0.5 wt \% Ru on SiO2-Al2O3, SiO2, Al2O3-acidic, Al2O3-basic, and Al2O3-neutral) for these reactions. As high as 74\% cyclohexanol yield from guaiacol was achieved at 225 degrees C in the presence of isopropyl alcohol (IPA) as the hydrogen source and over the Ru/Al2O3-acidic catalyst reduced at 150 degrees C. A detailed kinetic study is carried out to understand the interaction of the substrate and intermediates with the catalyst and the influence of reaction parameters on the product formation. It was observed that the cisisomer of 2-methoxycyclohexanol rapidly undergoes further conversion than the trans-isomer. The experimental observations are substantiated through density functional theory (DFT) studies on Ru(0001) and guaiacol molecule complexes. DFT studies indicate that the adsorption of the cis-isomer is more exothermic as compared to that of the trans counterpart, and the underlying electronic factors are elucidated using charge density difference and density of states plots.}, keywords = {catalytic transfer hydrogenation, Cyclohexanol, DFT, Hydrodeoxygenation, kinetics, lignin monomers, Supported metal catalysts}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c02942}, author = {Khan, Tufeil Sartaj and Singh, Dheerendra and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Dhepe, Paresh Laxmikant} } @article {47123, title = {Metabolic engineering and synthetic biology for isoprenoid production in Escherichia coli and Saccharomyces cerevisiae}, journal = {Applied Microbiology and Biotechnology}, volume = {105}, year = {2021}, month = {JAN}, pages = {457-475}, type = {Review}, abstract = {
Isoprenoids, often called terpenoids, are the most abundant and highly diverse family of natural organic compounds. In plants, they play a distinct role in the form of photosynthetic pigments, hormones, electron carrier, structural components of membrane, and defence. Many isoprenoids have useful applications in the pharmaceutical, nutraceutical, and chemical industries. They are synthesized by various isoprenoid synthase enzymes by several consecutive steps. Recent advancement in metabolic engineering and synthetic biology has enabled the production of these isoprenoids in the heterologous host systems like Escherichia coli and Saccharomyces cerevisiae. Both heterologous systems have been engineered for large-scale production of value-added isoprenoids. This review article will provide the detailed description of various approaches used for engineering of methyl-d-erythritol-4-phosphate (MEP) and mevalonate (MVA) pathway for synthesizing isoprene units (C-5) and ultimate production of diverse isoprenoids. The review particularly highlighted the efforts taken for the production of C-5-C-20 isoprenoids by metabolic engineering techniques in E. coli and S. cerevisiae over a decade. The challenges and strategies are also discussed in detail for scale-up and engineering of isoprenoids in the heterologous host systems.
}, keywords = {Escherichia coli, Isoprenoids, Metabolic engineering, Saccharomyces cerevisiae, synthetic biology}, issn = {0175-7598}, doi = {10.1007/s00253-020-11040-w, Early Access Date = JAN 2021}, author = {Navale, Govinda R. and Dharne, Mahesh S. and Shinde, Sandip S.} } @article {47451, title = {Metagenomic analysis of a mega-city river network reveals microbial compositional heterogeneity among urban and peri-urban river stretch}, journal = {Science of the Total Environment}, volume = {783}, year = {2021}, month = {AUG }, pages = {146960}, type = {Article}, abstract = {
The rivers in the megacities face a constant inflow of extremely polluted wastewaters from various sources, and their influence on the connected peri-urban river is still poorly understood. The riverine system in Pune consists of Rivers Mula, Ramnadi, Pawana, Mutha, and Mula-Mutha, traversing through the urban settlements of Pune before joining River Bhima in the peri-urban region. We used MinION-based metagenomic sequencing to generate a comprehensive understanding of the microbial diversity differ-ences between the urban and peri-urban zones, which has not been explored at the meta scale until date. The taxonomic analysis revealed significant enrichment of pollution indicators microbial taxa (Welsch{\textquoteright}s t-test, p \< 0.05, Benjamini-Hochberg FDR test) such as Bacteriodetes, Firmicutes, Spirochaetes, Synergistetes, Euryarcheota in the urban waters as compared to peri-urban waters. Further, the peri-urban waters showed a significantly higher prevalence of ammonium oxidising archaeal groups such as Nitrososphaeraceae (Student{\textquoteright}s t-test p-value \<0.05 with FDR correction), thereby probably suggesting the influence of agricultural runoffs. Besides, the microbial community diversity assessment also indicated the significant dissimilarity in the microbial community of urban and peri-urban waters. Overall, the analysis predicted 295 virulence genes mapping to 38 different path-ogenic bacteria in the riverine system. Moreover, the higher genome coverage (at least 60\%) for priority patho-gens such as Pseudomonas, Klebsiella, Acinetobacter, Escherichia, Aeromonas in the sediment metagenome consolidates their dominance in this riverine system. To conclude, our investigation showed that the unre-strained anthropogenic and related activities could potentially contribute to the overall dismal conditions and in-fluence the connected riverine stretches on the outskirts of the city . (c) 2021 Elsevier B.V. All rights reserved.
}, keywords = {Industrialisation, Peri-urban, Riverine system, Urbanisation, Virulence factors}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2021.146960}, author = {Yadav, Rakeshkumar and Rajput, Vinay and Dharne, Mahesh} } @article {47448, title = {Metagenomic analysis reveals genetic insights on biogeochemical cycling, xenobiotic degradation, and stress resistance in mudflat microbiome}, journal = {Journal of Environmental Management}, volume = {292}, year = {2021}, month = {AUG}, pages = {112738}, type = {Article}, abstract = {
Mudflats are highly productive coastal ecosystems that are dominated by halophytic vegetation. In this study, the mudflat sediment microbiome was investigated from Nalabana Island, located in a brackish water coastal wetland of India; Chilika, based on the MinION shotgun metagenomic analysis. Bacterial, archaeal, and fungal communities were mostly composed of Proteobacteria (38.3\%), Actinobacteria (20.7\%), Euryarchaeota (76.1\%), Candidatus Bathyarchaeota (6.8\%), Ascomycota (47.2\%), and Basidiomycota (22.0\%). Bacterial and archaeal community composition differed significantly between vegetated mudflat and un-vegetated bulk sediments. Carbon, nitrogen, sulfur metabolisms, oxidative phosphorylation, and xenobiotic biodegradation were the most common microbial functionalities in the mudflat metagenomes. Furthermore, genes involved in oxidative stresses, osmotolerance, secondary metabolite synthesis, and extracellular polymeric substance synthesis revealed adaptive mechanisms of the microbiome in mudflat habitat. Mudflat metagenome also revealed genes involved in the plant growth and development, suggesting that microbial communities could aid halophytic vegetation by providing tolerance to the abiotic stresses in a harsh mudflat environment. Canonical correspondence analysis and co-occurrence network revealed that both biotic (vegetation and microbial interactions) and abiotic factors played important role in shaping the mudflat microbiome composition. Among abiotic factors, pH accounted for the highest variance (20.10\%) followed by available phosphorus (19.73\%), total organic carbon (9.94\%), salinity (8.28\%), sediment texture (sand) (6.37\%) and available nitrogen (5.53\%) in the mudflat microbial communities. Overall, this first metagenomic study provided a comprehensive insight on the community structure, potential ecological interactions, and genetic potential of the mudflat microbiome in context to the cycling of organic matter, xenobiotic biodegradation, stress resistance, and in providing the ecological fitness to halophytes. These ecosystem services of the mudflat microbiome must be considered in the conservation and management plan of coastal wetlands. This study also advanced our understanding of fungal diversity which is understudied from the coastal lagoon ecosystems.
}, doi = {10.1016/j.jenvman.2021.112738 }, author = {Mohapatra, Madhusmita and Yadav, Rakeshkumar and Rajput, Vinay and Dharne, Mahesh S. and Rastogi, Gurdeep} } @article {47636, title = {Metagenomic exploration reveals a differential patterning of antibiotic resistance genes in urban and peri-urban stretches of a riverine system}, journal = {Environmental Science and Pollution Research}, volume = {28}, year = {2021}, month = {DEC}, pages = {66477-66484}, type = {Article}, abstract = {{Antimicrobial resistance in the riverine ecosystem of urban areas is an alarming concern worldwide, indicating the importance of molecular monitoring to understand their patterning in urban and peri-urban areas. In the present study, we evaluated the influence of urban rivers on the connected peri-urban rivers of a riverine system of India in the context of antibiotic resistance genes. The rivers traversing through urban (Mula, Mutha, Pawana, and Ramnadi) and peri-urban stretches (Bhima and Indrayani) form the riverine system of Pune district in Maharashtra, India. The MinION-based shotgun metagenomic analysis revealed the resistome against 26 classes of antibiotics, including the last line of antibiotics. In total, we observed 278 ARG subtypes conferring resistance against multiple drugs (40\%), bacitracin (10\%), aminoglycoside (7.5\%), tetracycline (7\%), and glycopeptide (5\%). Further, the alpha diversity analysis suggested relatively higher ARG diversity in the urban stretches than peri-urban stretches of the riverine system. The NMDS (non-metric multidimensional scaling) analysis revealed significant differences with overlapping similarities (stress value = 0.14}, keywords = {Antibiotic resistance, MinION, Peri-urban rivers, Urbanization}, issn = {0944-1344}, doi = {10.1007/s11356-021-16910-y}, author = {Rajput, Vinay and Yadav, Rakeshkumar and Dharne, Mahesh S.} } @article {47119, title = {Metal halide structure and the extent of distortion control the photo-physical properties of luminescent zero dimensional organic-antimony(iii) halide hybrids}, journal = {Journal of Materials Chemistry C}, volume = {9}, year = {2021}, month = {JAN }, pages = {348-358}, type = {Article}, abstract = {
Antimony(iii) halide based zero dimensional hybrids have gained attention as broadband emitters. Until now, quadrangular pyramidal SbX5 based and octahedral SbX6 based 0D hybrids have been reported utilizing different organic ligands demonstrating some structural tunability affecting their emissive properties. Utilizing a common organic ligand, here we demonstrate the structural tunability (quadrangular pyramidal, octahedral, or a combination thereof) of the metal halide unit in Sb(iii)Cl 0D hybrids with contrasting photo-physical properties (broadband, Stokes shift, strong/weak colored emission). The structure-property-mechanism correlation of the synthesized compounds [1 (C12H52Cl18N8O4Sb3; tris Sb green); 2 (C12H50Cl14N8O3Sb2; tris Sb red); 3 (C24H88Cl25N16O4Sb3; tris Sb yellow)] identifies crucial factors that control their emissive properties. The X-ray analysis reveals the structure (1-octahedral; 2-quadrangular pyramidal; 3-combination thereof) and the order of the extent of structural distortion as 1-3 MUCH LESS-THAN 2. The metal halide coordination environment asymmetry and its structure are observed to dictate PL emission energy (1-green; 2-red; 3-yellow) as supported by a qualitative Molecular Orbital scheme. The extent of structural distortion guides the observed Stokes shifts (1-165 nm; 2-290 nm; 3-200 nm; 1-3 \< 2). Interestingly, the extent of distortion is found to be well correlated with the observed PLQY (1-45\%; 2-6\%; 3-43\%; 1-3 \>\> 2). This report clearly demonstrates the structural tunability and the effect of the metal halide unit structure/distortion in shaping the emissive properties of 0D organic Sb(iii) halide hybrids.
}, issn = {2050-7526}, doi = {10.1039/d0tc03440a}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Mali, Bhupendra P. and Bahadur, Vir and Biswas, Chinmoy and Raavi, Sai Santosh Kumar and Gonnade, Rajesh G. and Kundu, Janardan} } @article {47640, title = {Metal-free, acid-catalyzed 1,6-conjugate addition of NH-sulfoximines to para-quinone methides: accessing to diarylmethine imino sulfanone}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {AUG }, pages = {10129-10139}, type = {Article}, abstract = {We have reported an efficient and metal-free method for the construction of alpha-diarylmethine imino sulfanone using acid-catalyzed 1,6-conjugate addition of sulfoximines on para-quinine methides (p-QMs). This method showed broad functional group tolerance and a wide range of substrate scope with good to excellent yield. The excellent protocol exhibits mild reaction conditions with high atom economy. The practicability of the present method was supported by a Gram-scale reaction.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00869}, author = {More, Satish G. and Rupanawar, Bapurao D. and Suryavanshi, Gurunath} } @article {47588, title = {Metal-free, Tf2NH-catalyzed 1, 6-conjugate addition of imidazopyridine to para-quinone methides: easy access to C3-functionalized triarylmethane imidazopyridine}, journal = {Tetrahedron}, volume = {101}, year = {2021}, month = {NOV}, pages = {132510}, type = {Article}, abstract = {An inexpensive and commercially available Tf2NH-catalyzed 1,6-conjugate addition of imidazopyridine (IMPY) heterocycles to para-quinone methides (p-QMs) is reported. The present transformation provides a diverse class of C3-functionalized triarylmethanes heterocyclic derivatives of imidazopyridine. These metal-free transformations provided a very broad substrate scope of conjugate addition product with a high yield up to 97\% within a short duration. (C) 2021 Elsevier Ltd. All rights reserved.}, keywords = {1, 6-Conjugate addition, Bronsted acid, C3-functionalization, Imidazopyridine, para-Quinone methide}, issn = {0040-4020}, doi = {10.1016/j.tet.2021.132510}, author = {Khonde, Nilesh S. and Said, Madhukar S. and Sabane, Jagjivan K. and Gajbhiye, Jayant M. and Kumar, Pradeep} } @article {47709, title = {Methyl esters of fungal biomass-derived lipids produced via solid-state fermentation of sugarcane bagasse and assessment as a blend component in diesel fuel.}, journal = {Journal of the American Oil Chemists Society}, volume = {98}, year = {2021}, month = {SEP}, pages = {164-165}, type = {Meeting Abstract}, issn = {0003-021X}, author = {Khot, Mahesh and RaviKumar, Ameeta and Kumar, V. Ravi} } @article {47364, title = {Methylation as a key regulator of Tau aggregation and neuronal health in Alzheimer{\textquoteright}s disease}, journal = {Cell Communication and Signaling}, volume = {19}, year = {2021}, month = {MAY }, pages = {51}, type = {Review}, abstract = {
Neurodegenerative diseases like Alzheimer{\textquoteright}s, Parkinson{\textquoteright}s and Huntington{\textquoteright}s disease involves abnormal aggregation and accumulation of toxic proteins aggregates. Post-translational modifications (PTMs) of the causative proteins play an important role in the etiology of disease as they could either slow down or accelerate the disease progression. Alzheimer disease is associated with the aggregation and accumulation of two major protein aggregates-intracellular neurofibrillary tangles made up of microtubule-associated protein Tau and extracellular Amyloid-beta plaques. Post-translational modifications are important for the regulation of Tau{\textquoteleft}s function but an imbalance in PTMs may lead to abnormal Tau function and aggregation. Tau methylation is one of the important PTM of Tau in its physiological state. However, the methylation signature on Tau lysine changes once it acquires pathological aggregated form. Tau methylation can compete with other PTMs such as acetylation and ubiquitination. The state of PTM at these sites determines the fate of Tau protein in terms of its function and stability. The global methylation in neurons, microglia and astrocytes are involved in multiple cellular functions involving their role in epigenetic regulation of gene expression via DNA methylation. Here, we have discussed the effect of methylation on Tau function in a site-specific manner and their cross-talk with other lysine modifications. We have also elaborated the role of methylation in epigenetic aspects and neurodegenerative conditions associated with the imbalance in methylation metabolism affecting global methylation state of cells.
}, keywords = {Aggregation, Epigenetics, methylation, Methyltransferases, post-translational modifications, Tau}, doi = {10.1186/s12964-021-00732-z}, author = {Balmik, Abhishek Ankur and Chinnathambi, Subashchandrabose} } @article {47337, title = {Micro-computed tomographic analysis of the marginal adaptation of a calcium silicate-based cement to radicular dentin after removal of three different intracanal medicaments - an in vitro study}, journal = {Journal of Conservative Dentistry}, volume = {23}, year = {2021}, month = {FEB}, pages = {598-603}, type = {Article}, abstract = {
Context:\ This study focuses on the marginal adaptation of a calcium silicate-based cement to the root dentin after retrieval of different intracanal medicaments.

Aim:\ This study compared the marginal adaptation of a calcium silicate-based cement to radicular dentin in the apical third of the root canal following the use of three different intracanal medicaments.

Materials and methods:\ Forty single-rooted premolar teeth (n\ = 40) were decoronated 13 mm above the root apices; then, 3 mm of the root tips were resected to standardize the root length. Orthograde cleaning and shaping were done using the rotary files and apical enlargement using peeso reamers. Depending on the intracanal medicament used, the samples were equally divided into four groups: Group 1 - control, Group 2 - Metapex, Group 3 - triple antibiotic paste (TAP), and Group 4 - calcium hydroxide with Propolis. Subsequently, the medicament was removed and a 3 mm apical barrier of BiodentineTM\ was placed and later scanned using an ex vivo micro-computed tomography scanner.
}, doi = {10.4103/JCD.JCD_561_20}, author = {Jain, Ruchika Nirmal and Abraham, Sathish and Karad, Rohini Ramesh and Najan, Harshal Balasaheb and Vaswani, Sneha Dhruvkumar and Torris, Arun} } @article {47065, title = {Microglial remodeling of actin network by Tau oligomers, via G protein-coupled purinergic receptor, P2Y12R-driven chemotaxis}, journal = {Traffic}, volume = {22}, year = {2021}, month = {MAY}, pages = {153-170}, type = {Article}, abstract = {
Alzheimer{\textquoteright}s disease (AD) is associated with age-related neurodegeneration, synaptic deformation and chronic inflammation mediated by microglia and infiltrated macrophages in the brain. Tau oligomers can be released from damaged neurons via various mechanisms such as exosomes, neurotransmitter, membrane leakage etc. Microglia sense the extracellular Tau through several cell-surface receptors and mediate chemotaxis and phagocytosis. The purinergic receptor P2Y12R recently gained interest in neurodegeneration for neuro-glial communication and microglial chemotaxis towards the site of plaque deposition. To understand the effect of extracellular Tau oligomers in microglial migration, the P2Y12R-mediated actin remodeling, reorientation of tubulin network and rate of migration were studied in the presence of ATP. The extracellular Tau species directly interacted with P2Y12R and also induced this purinoceptor expression in microglia. Microglial P2Y12R colocalized with remodeled membrane-associated actin network as a component of migration in response to Tau oligomers. As an inducer of P2Y12R, ATP facilitated the localization of P2Y12R in lamellipodia and filopodia during accelerated microglial migration. The direct interaction of extracellular Tau oligomers with microglial P2Y12R would facilitate the signal transduction in both way, directional chemotaxis and receptor-mediated phagocytosis. These unprecedented findings emphasize that microglia can modulate the membrane-associated actin structure and incorporate P2Y12R to perceive the axis and rate of chemotaxis in Tauopathy.
}, keywords = {actin remodeling, Alzheimer\&apos, chemotaxis, microglia, migration, s disease, Tau Oligomers}, issn = {1398-9219}, doi = {10.1111/tra.12784, Early Access Date = FEB 2021}, author = {Das, Rashmi and Chinnathambi, Subashchandrabose} } @article {47359, title = {Microscopic theory of softness in supercooled liquids}, journal = {Physical Review Letters}, volume = {126}, year = {2021}, month = {MAY }, pages = {208001}, type = {Article}, abstract = {
We introduce a new measure of the structure of a liquid which is the softness of the mean-field potential developed by us earlier. We find that this softness is sensitive to small changes in the structure. Then, we study its correlation with the supercooled liquid dynamics. The study involves a wide range of liquids (fragile, strong, attractive, repulsive, and active) and predicts some universal behaviors such as the softness being linearly proportional to the temperature and inversely proportional to the activation barrier of the dynamics with system dependent proportionality constants. We establish a master equation between the dynamics and the softness parameter and show that, indeed, the dynamics, when scaled by the temperature and system dependent parameters, show a data collapse when plotted against softness. The dynamics of fragile liquids show a strong softness dependence, whereas that of strong liquids show a much weaker softness dependence. We also connect the present study with the earlier studies of softness involving machine learning (ML), thus, providing a theoretical framework for understanding the ML results.
}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.126.208001}, author = {Nandi, Manoj Kumar and Bhattacharyya, Sarika Maitra} } @article {47811, title = {Milder operating parameters for one-step conversion of fructose to levulinic acid over sulfonated H-β zeolite in aqueous media}, journal = {Environmental Progress \& Sustainable Energy}, volume = {40}, year = {2021}, month = {FEB}, pages = {e13530}, type = {Article}, abstract = {Abstract The sulfonated H-β zeolite was successfully prepared and used for the synthesis of levulinic acid (LA) from D-fructose. The catalyst was characterized by powder X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscope, N2 physisorption, NH3-temperature programmed desorption and carbon{\textendash}hydrogen{\textendash}nitrogen{\textendash}sulfur analysis. The total acid amount is increased with increase in sulfur loading, confirmed that the sulfonic acid group (SO3-H) is successfully grafted onto zeolite structure. The various parameters such as different amount of sulfur loading, reaction temperature, time, catalyst loading was studied for selective production of LA. The catalytic activity of sulfonated H-β (S-β) zeolite was found to be efficient for synthesis of LA from D-fructose in aqueous media. Maximum LA yield of 43.5 mol\%, low HMF yield (<1\%) with 98.15\% fructose conversion was obtained with 3\% S-β catalyst at 160{\textdegree}C for 7 hr. The catalyst was reusable for minimum three times by H2O2 regeneration. This study provides the new zeolitic catalyst for the efficient production of LA at shorter reaction time (7 hr) and low catalyst to substrate ratio (0.7:1).}, keywords = {conversion, D-fructose, H-β, HMF, levulinic acid, sulfonated zeolite, yield}, doi = {10.1002/ep.13530}, url = {https://aiche.onlinelibrary.wiley.com/doi/abs/10.1002/ep.13530}, author = {Bisen, Swapneel K. and Niphadkar, Prashant S. and Nandanwar, Sachin U. and Simakova, Irina and Bokade, Vijay V.} } @article {46681, title = {Milder operating parameters for one-step conversion of fructose to levulinic acid over sulfonated H-beta zeolite in aqueous media}, journal = {Environmental Progress \& Sustainable Energy}, volume = {40}, year = {2021}, month = {JAN}, pages = {e13530}, type = {Article}, abstract = {
The sulfonated H-beta zeolite was successfully prepared and used for the synthesis of levulinic acid (LA) fromD-fructose. The catalyst was characterized by powder X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscope, N-2 physisorption, NH3-temperature programmed desorption and carbon-hydrogen-nitrogen-sulfur analysis. The total acid amount is increased with increase in sulfur loading, confirmed that the sulfonic acid group (SO3-H) is successfully grafted onto zeolite structure. The various parameters such as different amount of sulfur loading, reaction temperature, time, catalyst loading was studied for selective production of LA. The catalytic activity of sulfonated H-beta (S-beta) zeolite was found to be efficient for synthesis of LA from D-fructose in aqueous media. Maximum LA yield of 43.5 mol\%, low HMF yield (\<1\%) with 98.15\% fructose conversion was obtained with 3\% S-beta catalyst at 160 degrees C for 7 hr. The catalyst was reusable for minimum three times by H2O2 regeneration. This study provides the new zeolitic catalyst for the efficient production of LA at shorter reaction time (7 hr) and low catalyst to substrate ratio (0.7:1).
}, keywords = {conversion, D-fructose, H-beta, HMF, levulinic acid, sulfonated zeolite, yield}, issn = {1944-7442}, doi = {10.1002/ep.13530, Early Access Date = OCT 2020}, author = {Bisen, Swapneel K. and Niphadkar, Prashant S. and Nandanwar, Sachin U. and Simakova, Irina and Bokade, Vijay V.} } @article {47070, title = {Molecular characterization of the beta(2)-like octopamine receptor of helicoverpa armigera}, journal = {Journal of Membrane Biology}, volume = {254}, year = {2021}, month = {JUN}, type = {Article}, abstract = {
Helicoverpa armigera is a devastating polyphagous and cosmopolitan crop pest. There are reports of this insect being resistant to a variety of pesticides raising concern worldwide. The Octopamine (OA) binding beta(2)-like receptor (OAR), a GPCR, is widely distributed in the nervous system of the insect and plays essential roles in the physiology and development and thus is an important target for insecticides. Yet, the molecular characterization of the H. armigera OAR (HarmOAR) and rational design of compounds based on this receptor is lacking. As a first step, we performed multiple sequence alignment of all insect OARs, which revealed that the sequences contained all conserved class A GPCR motifs. Phylogenetic studies showed clade-specific variations in the protein sequences primarily arising owing to differences in the ICL3 loop region. Further, a structural model of HarmOAR was built using the inactive human beta(2)AR as a template. 0.9 mu s atomistic simulations revealed conserved inter helical contacts and water molecules of HarmOAR. The detailed binding of octopamine was studied using molecular docking and 0.3 mu s atomistic simulations. Twenty-two insecticides active against octopamine receptors of other insects were compiled and docked to HarmOAR followed by rescoring with binding free energies to prioritize them for H. armigera. Our study suggests alpha-terpineol to be a good candidate as an insecticide or insect repellent for Helicoverpa armigera.
}, keywords = {docking, Helicoverpa armigera, Insecticides, molecular dynamics, Octopamine receptor, Phylogeny}, issn = {0022-2631}, doi = {10.1007/s00232-021-00172-3, Early Access Date = FEB 2021}, author = {Gujar, Nidhi and Nikte, V, Siddhanta and Joshi, Rakesh S. and Joshi, Manali} } @article {47032, title = {Molecular insights of fungal endophyte co-inoculation with Trichoderma viride for the augmentation of forskolin biosynthesis in Coleus forskohlii}, journal = {Phytochemistry}, volume = {184}, year = {2021}, month = {APR}, pages = {112654}, type = {Article}, abstract = {
To understand the compatibility of three native endophytic fungi Phialemoniopsis cornearis (SF1), Macrophomina pseudophaseolina (SF2) and Fusarium redolens (RF1) with Trichoderma viride (TV1) on Coleus forskohlii in enhancing plant growth and forskolin content, field experiments were conducted. Co-inoculation of RF1+TV1 showed significant improvement in plant growth (52\%), root biomass (67\%), and in planter forskolin content (94\%), followed by treatment with SF2+TV1 and SF1+TV1. qRT-PCR was carried out to quantify expression of five key forskolin biosynthetic pathway genes (CfTPS2, CfTPS3, CfTPS4, CfCYP76AH15, and CfACT1-8) in RF1+TV1 treated C. forskohlii plants. Elevated expression of CfTPS2, CfTPS4, CfCYP76AH15 and CfACT1-8 genes was observed with RF1+TV1 combination as compared to uninoculated C. forskohlii plants. Besides, RF1+TV1 treatment considerably reduced the severity of nematode infection of C. forskohlii plants under field conditions. Thus, congruent properties of F. redolens (RF1) were witnessed with co-inoculation of T. viride (TV1) under field conditions which resulted in enhanced forskolin content, root biomass, and reduced nematode infections in C. forskohlii. Overall, this approach could be an economical and sustainable step towards cultivation of commercially important medicinal plants.
}, keywords = {Co-inoculation, Coleus forskohlii, endophytes, Forskolin, Lamiaceae, Trichoderma viride}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.112654}, author = {Mastan, Anthati and Rane, Digeshwar and Dastager, Syed G. and Babu, C. S. Vivek} } @article {47354, title = {Molecular interplay at the membrane and impact on cellular physiology}, journal = {Journal of Membrane Biology}, volume = {254}, year = {2021}, month = {JUN}, pages = {239-242}, type = {Editorial Material}, issn = {0022-2631}, doi = {10.1007/s00232-021-00183-0, Early Access Date = MAY 2021}, author = {Pucadyil, Thomas and Kulkarni, Kiran and Sengupta, Durba} } @article {47095, title = {Molecular investigation of glycated insulin-induced insulin resistance via insulin signaling and AGE-RAGE axis}, journal = {Biochimica ET Biophysica Acta-Molecular Basis of Disease}, volume = {1867}, year = {2021}, month = {FEB }, pages = {166029}, type = {Article}, abstract = {
Hyperglycemic condition in diabetes promotes glycation of various plasma proteins including insulin. Glycation of insulin has been reported to reduce its biological activity. Reduced biological activity of glycated insulin could be either due to reduced affinity for the insulin receptor and impaired insulin signaling, or it can act as a ligand for the receptor for advanced glycation end products (RAGE) and activates oxidative stress and pro-inflammatory pathways leading to insulin resistance. This study investigates the effect of glycated insulin on both insulin and RAGE signaling. Glycated insulin treatment to Chinese hamster ovary (CHO-IR-GLUT4) cells stably expressing insulin receptor (IR) and glucose transporter fused with a green fluorescent protein (GLUT4-GFP) resulted in the impairment of insulin signaling, as the phosphorylation of IR and AKT significantly reduced, which affected GLUT4 translocation and glucose uptake. Moreover, it also activated RAGE signaling as observed by increased expression of NADPH oxidase accompanied by an increase in reactive oxygen species (ROS). Immunofluorescence study indicated the translocation of NF-kappa B to the nucleus upon treatment of glycated insulin. This was associated with increased RAGE expression, Caspase 3, and cell death. Downregulation of RAGE with the losartan treatment restored the impaired insulin signaling and glucose uptake. Additionally, in silico study demonstrated that glycated insulin has reduced binding affinity to insulin receptor and increased binding affinity to RAGE. Overall, this study demonstrates the role of glycated insulin in exacerbating insulin resistance by impairing insulin signaling as well as stimulating AGE-RAGE signaling.
}, keywords = {AGE, Diabetes, Glycation, Hyperglycemia, insulin, RAGE}, issn = {0925-4439}, doi = {10.1016/j.bbadis.2020.166029}, author = {Walke, Prachi B. and Bansode, Sneha B. and More, Nikita P. and Chaurasiya, Arvindkumar H. and Joshi, Rakesh S. and Kulkarni, Mahesh J.} } @article {47619, title = {Molecularly engineered graphene oxide anchored metal organic assembly: an active site economic bi-functional electrocatalyst}, journal = {FlatChem}, volume = {29}, year = {2021}, month = {SEP}, pages = {100269}, type = {Article}, abstract = {Low-temperature fuel cells are the most promising sustainable energy technology as they use hydrogen, an environmentally clean fuel. However, the sluggish kinetics of oxygen electrochemistry, a chronic issue, is holding them from commercialization. Herein, we address this issue through a molecular level design of a Graphene oxide anchored Metal Organic Molecular Assembly (G-MOMA) based catalyst. This non-precious metal catalyst consists of Ni and Fe ions ligated by graphene oxide supported terpyridine, a unique molecular assembly design that maximizes the utilization of active metal centers. This G-MOMA catalyst brings down an over potential (240 mV) for oxygen evolution reaction (OER) as close as that of the bench mark catalyst Ru/C with an impressive Tafel slope of 58 mV/dec and a cyclic stability of >30,000 cycles. G-MOMA excels in oxygen reduction reaction (ORR) too with an onset at 0.88 V (vs RHE). The remarkably stable G-MOMA catalyst surprises with an excellent bi-functionality towards both OER and ORR with an overall potential difference of mere 0.77 V, which is 180 mV and 70 mV lesser than the standard Pt/C and Ru/C catalysts, respectively. The G-MOMA catalyst is well in the activity range of the state-of-art bi-functional catalysts and yet cheaper by many folds.}, keywords = {Bi-functional electrocatalyst, graphene oxide, Metal organic molecular assembly, Oxygen Evolution Reaction, oxygen reduction reaction, terpyridine}, issn = {2452-2627}, doi = {10.1016/j.flatc.2021.100269}, author = {Jhajharia, Suman Kumari and Selvaraj, Kaliaperumal} } @article {47717, title = {MoS2 and CdMoS4 nanostructure-based UV light photodetectors}, journal = {Nanoscale Advances}, volume = {3}, year = {2021}, month = {AUG}, pages = {4799-4803}, type = {Article}, abstract = {We have developed MoS2 nanosheets and CdMoS4 hierarchical nanostructures based on a UV light photodetector. The surface morphologies of the as-prepared samples were investigated via field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM). The performance parameters for the present photodetectors are investigated under the illumination of UV light having a wavelength of similar to 385 nm. Upon the illumination of UV light, the CdMoS4-based photodetector device showed a better response to UV light compared to the MoS2 device in terms of photoresponsivity, response time (similar to 72 s) and recovery time (similar to 94 s). Our results reveal that CdMoS4 hierarchical nanostructures are practical for enhancing the device performance.}, issn = {2516-0230}, doi = {10.1039/d1na00326g}, author = {Pawar, Mahendra S. and Kadam, Sunil R. and Kale, Bharat B. and Late, Dattatray J.} } @article {47342, title = {MoSx surface-modified, hybrid core-shell structured LiFePO4 cathode for superior Li-ion battery applications}, journal = {Journal of Alloys and Compounds}, volume = {872}, year = {2021}, month = {AUG}, pages = {159718}, type = {Article}, abstract = {
A hybrid core-shell cathode, composed of MoSx shell and carbon-coated lithium iron phosphate core (MoSx@cLiFePO(4) or MoSx@c-LFP) is obtained by the post-annealing of a thermally decomposable ammonium thiomolybdate and commercial carbon-coated LiFePO4 (c-LFP) powder. The specific capacity of the commercially available amorphous carbon-coated LFP (c-LFP) is typically around 120-160 mAhg(-1), which is usually lower than the theoretical values similar to 170 mAhg(-1) due to the limited Li+ phase-boundary diffusion and low electrical conductivity. In the present investigation, we report that the specific capacity of surfacemodified (similar to 1.2 wt\% of layered MoSx) c-LFP (MoSx@c-LFP) material can reach as high as similar to 228 mAhg(-1) delivering high gravimetric energy density similar to 750-770 Whkg(-1). The excess capacity can be attributed to the partial Li-ions intercalated/de-intercalated through the MoSx layers within a specific potential range (2.0-3.8 V). MoSx coating helps increase the c-LFP surface{\textquoteright}s stability by forming strong covalent bonding and is believed to enhance the electronic conduction by reducing the interparticle contact. During charge and discharge the hysteresis is substantially reduced by MoSx coating. The approach may open up a universal route to increase the cathode capacity, potentially attractive for further Li-ion battery research and industrial applications. (C) 2021 Elsevier B.V. All rights reserved.
}, keywords = {Ammonium thiomolybdate, Coulombic efficiency, Hybrid core-shell cathode, hysteresis, MoSx}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.159718}, author = {Hu, Lung-Hao and Kumar, Pushpendra} } @article {47074, title = {Multiple-parallel-protease digestion coupled with high-resolution mass spectrometry: an approach towards comprehensive peptide mapping of therapeutic mAbs}, journal = {Journal of Proteomics}, volume = {232}, year = {2021}, month = {FEB}, pages = {104053}, type = {Article}, abstract = {
Therapeutic monoclonal antibodies (mAbs) are structurally large and complex molecules. To be safe and efficacious, a biosimilar mAb must show high similarity to its reference product in Critical Quality Attributes (CQA). mAbs are highly sensitive to protein expression, production, manufacturing, supply chain, and storage conditions. All these factors make biosimilar mAbs intrinsically susceptible for variability during production. Accordingly, several lots of references and tests are required to establish the biosimilarity of a test mAb. The primary structure is a CQA of a mAb affecting its safety and efficacy. Here, we apply peptide mapping as an analytical method to decipher the primary structure and associated modifications for a quick quality assessment of TrastuzumAb and RituximAb innovator and biosimilar. A multiple-parallel-protease digestion strategy followed by high-resolution mass spectrometric analysis consistently achieved 100\% sequence coverage along with reliable detection of post-translational modifications. Additionally, the use of supporting methods such as intact mass analysis and circular dichroism helped us to decipher the primary and higher order structures of these mAbs. We identify discernible variations in the profile of the innovator and biosimilar mAbs and validate the method for quick yet deep comparability analysis of the primary structure of biosimilar mAbs sold in the market. Significance: Peptide mapping using bottom-up approach is one of the most common methods for the characterization of therapeutic monoclonal antibodies. Herein, we describe a multi-parallel-protease digestion strategy using a combination of five different proteases followed by high-resolution mass spectrometric analysis with TrastuzumAb and RituximAb as an example. This resulted in a comprehensive identification of peptides with increased reliability and identification of different PTMs. Additional supporting orthogonal methods like intact mass and higher-order structure analysis helped evaluate broader conformational properties.
}, keywords = {LC-MS/MS, PTM, RituximAb, Therapeutic monoclonal antibodies, TrastuzumAb}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.104053}, author = {Pradhan, Gauri and Sneha, J. M. and Sonwane, Babasaheb P. and Santhakumari, B. and Rao, Alka and Kulkarni, Mahesh J.} } @article {47615, title = {Multi-step synthesis of miltefosine: integration of flow chemistry with continuous mechanochemistry}, journal = {Chemistry-A European Journal}, volume = {27}, year = {2021}, month = {DEC }, pages = {17695-17699}, type = {Article}, abstract = {Herein we report for the first time, an advanced continuous flow synthesis of the blockbuster Leishmaniasis drug miltefosine from simple starting materials by a sequence involving four steps of chemical transformation including a continuous mechanochemical step. First three reaction steps were performed in simple tubular reactors in a telescopic mode, while in the last step the product precipitated from the 3(rd) step was used for a continuous mechanochemical synthesis of miltefosine. When compared to a typical batch protocol that takes 15 h, miltefosine was obtained in 58 \% overall yield in flow synthesis mode at the laboratory scale in a total residence time 34 min at synthesis rate of 10 g/hr, which is sufficient to treat 4800 patients per day.}, keywords = {continuous flow, continuous mechanochemistry, miltefosine, multistep synthesis, reactive intermediates}, issn = {0947-6539}, doi = {10.1002/chem.202103499}, author = {Patil, Niteen B. and Atapalkar, Ranjit S. and Chavan, Subhash P. and Kulkarni, Amol A.} } @article {47054, title = {Mycology and mycotechnology on postal stamps}, journal = {Current Science}, volume = {120}, year = {2021}, month = {FEB}, pages = {628-636}, type = {Article}, abstract = {
Mycology, the study of fungal biology, and philately, the study of postage stamps, are rarely connected, as they are very different activities. However, philatelic mycology can raise awareness of the facets of fungi which contribute significantly to human welfare. Fungi are photogenic and exhibit physiological wonders such as luminescence. They are important in biotechnology for their secondary metabolites. So, stamps depicting fungi signal the recognition of problems and prospects of prosperity posed by fungi in nutrition and health, agriculture, engineering, industry and ecology. Many countries have issued thousands of stamps on fungi. India with a rich heritage of fungal diversity lags in this respect. This article hopes to inspire action by celebrating the beauty and significance of fungi in the art of philately.
}, keywords = {mycology, mycophilately, Mycotechnology, photogenic appeal, postal stamps}, issn = {0011-3891}, doi = {10.18520/cs/v120/i4/628-636}, author = {Ghormade, Vandana and Pathan, Ejaj and Jyoti, Jeevan and Vartak, Ajit and Deshpande, Mukund} } @article {47104, title = {Myristic acid derived sophorolipid: efficient synthesis and enhanced antibacterial activity}, journal = {ACS Omega}, volume = {6}, year = {2021}, month = {JAN}, pages = {1273-1279}, type = {Article}, abstract = {
Microbial glycolipids are one of the most interesting alternatives to chemical-based surfactants as they exhibit improved biodegradability and less toxicity. However, their potential has been limited because of specificity of the yeast toward fatty acids having a carbon 16 or carbon 18 chain. This study focuses on sophorolipid (SL) production by the yeast Starmerella bombicola using myristic acid, a medium-chain carbon-14 fatty acid that has not been used as a substrate for SL production. The production was optimized for inoculum size and lipophilic substrate concentration. Furthermore, we also studied the effect of medium-chain fatty acid on yeast cell growth and optimized the process for excellent yield. The myristic acid SL (MASL) so synthesized consisted of mono- and diacetylated forms with preferential glycosylation at the methyl end group, as determined by high-resolution mass spectrometry. Individual congeners of the crude mixture were separated using dry column chromatography and then structurally characterized by mass spectrometry. The synthesized MASL was also shown to have promising surface tension, lowering abilities with a low CMC of 14 mg/L. The SL derived from myristic acid exhibited superior antibacterial activity as compared to SL derived from oleic acid. MASL was also found to be more potent against Gram-positive organisms as compared to Gram-negative organisms. This work, therefore, demonstrates successful synthesis of myristic acid-derived SL and its superior antibacterial activity, establishing a promising future for this biosurfactant.
}, issn = {2470-1343}, doi = {10.1021/acsomega.0c04683}, author = {Abhyankar, Isha and Sevi, Ganesh and Prabhune, Asmita A. and Nisal, Anuya and Bayatigeri, Santhakumari} } @article {47446, title = {Nanoparticles of biotite mica as Krishna Vajra Abhraka Bhasma: synthesis and characterization}, journal = {Journal of Ayurveda and Integrative Medicine }, volume = {12}, year = {2021}, month = {JUN }, pages = {269-282}, type = {Article}, abstract = {

Background

Bio-inorganic\ nanoparticles\ or\ metal nanoparticles\ are used in medicine for diagnostic and treatment purposes. The\ nanomedicines\ from traditional Ayurvedic system are termed as bhasma. Rasashastra, the branch of inorganic medicines of\ Ayurveda, has documented monographs of metal-mineral bhasmas as potent drugs. However there is lack of scientific analytical data of the end products.

Objectives

Present study was aimed at finding out the morphological, structural, elemental and chemical composition of the Krishna vajra abhraka bhasma (KVB).

Materials and methods

Bhasma of KVB (Biotite Mica) was prepared in our laboratory using biotite mica sheets befitting selection criteria and carrying out further processes with strict SOPs as per AFI.

Results

The bhasma complied with the confirmatory tests from Rasashastra. The physical and physicochemical tests correlate with the results obtained by instrumental analytical methods. SEM revealed square shaped nanoparticles of mean size of 92.3 nm. EDAX showed presence of Si, Mg, O, Fe, Ca, Na, C, K and Al. XRD revealed the crystalline nature of bhasma with mixture of various individual oxides and spinel shape of the crystal. DLS showed that the nanoparticles are unimodal in nature. FTIR and NMR showed the organic functional groups obtained from cow milk and selected herbs, indicating unique bio-inorganic nature of the KVB.

\
}, doi = {10.1016/j.jaim.2020.09.004}, author = {Wele, Asmita and Sourav, De and Dalvi, Madhuri and Devi, Nandini and Pandit, Vijaya} } @article {47419, title = {Naphthalene dianhydride organic anode for a {\textquoteleft}rocking-chair{\textquoteright} zinc-proton hybrid ion battery}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {MAR }, pages = {4237-4243}, type = {Article}, abstract = {
Rechargeable batteries consisting of a Zn metal anode and a suitable cathode coupled with a Zn2+ ion-conducting electrolyte are recently emerging as promising energy storage devices for stationary applications. However, the formation of high surface area Zn (HSAZ) architectures on the metallic Zn anode deteriorates their performance upon prolonged cycling. In this work, we demonstrate the application of 1,4,5,8-naphthalenetetracarboxylic dianhydride (NTCDA), an organic compound, as a replacement for the Zn-metal anode enabling the design of a {\textquoteleft}rocking-chair{\textquoteright} zinc-proton hybrid ion battery. The NTCDA electrode material displays a multi-plateau redox behaviour, delivering a specific discharge capacity of 143 mA h g(-1) in the potential window of 1.4 V to 0.3 V vs. Zn|Zn2+. The detailed electrochemical characterization of NTCDA in various electrolytes (an aqueous solution of 1 M ZnOTF, an aqueous solution of 0.01 M H2SO4, and an organic electrolyte of 0.5 M ZnOTF/acetonitrile) reveals that the redox processes leading to charge storage involve a contribution from both H+ and Zn2+. The performance of NTCDA as an anode is further demonstrated by pairing it with a MnO2 cathode, and the resulting MnO2||NTCDA full-cell (zinc-proton hybrid ion battery) delivers a specific discharge capacity of 41 mA h g(total)(-1) (normalized with the total mass-loading of both anode and cathode active materials) with an average operating voltage of 0.80 V.
}, issn = {1477-9226}, doi = {10.1039/d0dt04404k}, author = {Ghosh, Meena and Vijayakumar, Vidyanand and Kurian, Maria and Dilwale, Swati and Kurungot, Sreekumar} } @article {47776, title = {Neem derivatives inhibits tau aggregation}, journal = {Journal of Alzheimer s Disease Reports}, volume = {3}, year = {2021}, month = {JAN}, pages = {169-178}, type = {Article}, abstract = {Tau is a phosphoprotein with natively unfolded conformation that functions to stabilize microtubules in axons. Alzheimer{\textquoteright}s disease pathology triggers several modifications in tau, which causes it to lose its affinity towards microtubule, thus, leading to microtubule disassembly and loss of axonal integrity. This elicit accumulation of tau as paired helical filaments is followed by stable neurofibrillary tangles formation. A large number of small molecules have been isolated from Azadirachta indica with varied medicinal applications. The intermediate and final limonoids, nimbin and salannin respectively, isolated from Azadirachta indica, were screened against tau aggregation. ThS and ANS fluorescence assay showed the role of intermediate and final limonoids in preventing heparin induced cross-β sheet formation and also decreased hydrophobicity, which are characteristic nature of tau aggregation. Transmission electron microscopy studies revealed that limonoids restricted the aggregation of tau to fibrils; in turn, limonoids led to the formation of short and fragile aggregates. Both the limonoids were non-toxic to HEK293T cells thus, substantiating limonoids as a potential lead in overcoming Alzheimer{\textquoteright}s disease.}, doi = {10.3233/ADR-190118}, author = {Nalini, Gorantla Vijay and Das, Rashmi and Mulani, Fayaj Alam and Thulasiram, Hirekodathakallu V. and Chinnathambi, Subashchandrabose} } @article {47727, title = {New 1,2,3-triazole-appended bis-pyrazoles: synthesis, bioevaluation, and molecular docking}, journal = {ACS Omega}, volume = {6}, year = {2021}, month = {SEP}, pages = {24879-24890}, type = {Article}, abstract = {The present work describes design of a small library of new 1,2,3-triazole-appended bis-pyrazoles by using a molecular hybridization approach, and the synthesized hybrids were evaluated for their antifungal activity against different fungal strains, namely, Candida albicans, Cryptococcus neoformans, Candida glabrata, Candida tropicalis, Aspergillus niger, and Aspergillus fumigatus. All the compounds exhibited broad-spectrum activity against the tested fungal strains with excellent minimum inhibitory concentration values. The molecular docking study against sterol 14 alpha-demethylase (CYP51) could provide valuable insights into the binding modes and affinity of these compounds. Furthermore, these compounds were also evaluated for their antioxidant activity, which also resulted in promising data.}, issn = {2470-1343}, doi = {10.1021/acsomega.1c03734}, author = {Danne, Ashruba B. and Deshpande, V, Mukund and Sangshetti, Jaiprakash N. and Khedkar, Vijay M. and Shingate, Bapurao B.} } @article {47386, title = {NHC-catalyzed desymmetrization of N-aryl maleimides leading to the atroposelective synthesis of N-Aryl succinimides}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {MAY }, pages = {12264-12268}, type = {Article}, abstract = {
Although the construction of axially chiral C-C bonds leading to the atroposelective synthesis of biaryls and allied compounds are well-known, the related synthesis of compounds bearing axially chiral C-N bonds are relatively rare. Described herein is the N-heterocyclic carbene-catalyzed atroposelective synthesis of N-aryl succinimides having an axially chiral C-N bond via the desymmetrization of N-aryl maleimides. The NHC involved intermolecular Stetter-aldol cascade of dialdehydes with prochiral N-aryl maleimides followed by oxidation afforded N-aryl succinimides in good yields and ee values. Preliminary studies on rotation barrier for the C-N bond, the temperature dependence, and detailed DFT studies on mechanism are also provided.
}, keywords = {asymmetric catalysis, axial chirality, desymmetrization, N-heterocyclic carbenes, organocatalysis}, issn = {1433-7851}, doi = {10.1002/anie.202016938, Early Access Date = APR 2021}, author = {Barik, Soumen and Shee, Sayan and Das, Soumik and Gonnade, Rajesh G. and Jindal, Garima and Mukherjee, Subrata and Biju, Akkattu T.} } @article {47676, title = {Ni-catalyzed highly enantioselective synthesis of sulfur protected P-stereogenic supramolecular phosphine}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {DEC}, pages = {119}, type = {Article}, abstract = {As phosphines readily invert, the synthesis of P-chiral phosphines is a challenging task and has been rarely investigated. We report the synthesis of a nickel complex [Ni-((S,S)Me-FerroLANE)(phenyl)(I)] (Ni-Cat.1) and its performance in a P-C coupling reaction to generate P-chiral phosphine. The Ni-Cat.1 was synthesized by mixing ligand (S,S) Me-FerroLANE with the metal precursor [(diphenylphosphanyl)nickel(phenyl)(I)] in good yield. Ni-Cat.1 was characterized using different spectroscopic and analytical techniques. Treatment of racemic methyl(phenyl)phosphine (1) with 1-(3-iodophenyl)urea (2) produced the corresponding P-chiral supramolecular phosphine (3). Optimization of reaction parameters produced sulfur protected phosphine N-(3-(methyl(phenyl)phosphorothioyl)phenyl)formamide (3{\textquoteright}) with excellent enantiomeric excess (99\% ee) and moderate conversion (51\%).}, keywords = {Asymmetric synthesis, Nickel catalyst, P-C coupling, P-Stereogenic phosphine, supramolecular ligands}, issn = {0974-3626}, doi = {10.1007/s12039-021-01978-3}, author = {Koshti(S), Vijay S. and Chandanshive, Amol C. and Mote, Nilesh R. and Chikkali, Samir H.} } @article {47412, title = {Nickel-catalyzed C-H bond functionalization of azoles and indoles}, journal = {Chemical Record}, volume = {21}, year = {2021}, month = {DEC}, pages = {3573-3588}, type = {Article}, abstract = {
Direct C-H functionalization of privileged and biologically relevant azoles and indoles represents an important chemical transformation in molecular science. Despite significant progress in the palladium-catalyzed regioselective C-H functionalization of azoles and indoles, the use of abundant and less expensive nickel catalyst is underdeveloped. In the recent past, the nickel-catalyzed regioselective C-H alkylation, arylation, alkenylation and alkynylation of azoles and indoles have been substantially explored, which can be applied to the complex organic molecule synthesis. In this Account, we summarize the developments in nickel-catalyzed regioselective functionalization of azoles and indoles with a considerable focus on the reaction mechanism.
}, keywords = {azoles, C-C Bond formation, C-H functionalization, indoles, Nickel}, issn = {1527-8999}, doi = {10.1002/tcr.202100113, Early Access Date = JUN 2021}, author = {Jagtap, Rahul A. and Punji, Benudhar} } @article {47396, title = {Nickel-catalyzed difunctionalization of alkynyl bromides with thiosulfonates and N-arylthio succinimides: a convenient synthesis of 1,2-thiosulfonylethenes and 1,1-dithioethenes}, journal = {Synthesis-Stuttgart}, year = {2021}, month = {APR }, type = {Article; Early Access}, abstract = {
An efficient nickel-catalyzed vicinal thiosulfonylation of 1bromoalkynes with thiosulfonates in the presence of cesium carbonate is described. An operationally simple and highly regioselective atom transfer radical addition (ATRA) of alkynyl bromides provides a wide range of (E)-1,2-thiosulfonylethenes (alpha-aryl-beta-thioarylvinyl sulfones) in moderate to high yields. The extensive substrate scope of both alkynyl bromides and thiosulfonates is explored with a broad range of functional groups. Indole-derived 1,1- bromoalkenes were also successfully explored in this 1,2-thiosulfonylation process. Moreover, the nickel-catalyzed geminal- dithiolation of alkynyl bromides with N-arylthio succinimides provides 1,1-dithioalkenes in high yields. The present protocol is reliable on gram scale, and a sequential one-pot bromination and thiosulfonylation of phenylacetylene is achieved in a scale-up synthesis. Following control experiments, a plausible mechanism is proposed to rationalize the experimental outcome and the vicinal thiosulfonylation.
}, keywords = {alkynyl bromides, atom transfer radical addition (ATRA), thiosulfonates, thiosulfonylation, vinyl thiosulfones}, issn = {0039-7881}, doi = {10.1055/a-1482-2486, Early Access Date = APR 2021}, author = {Kumari, Arram Haritha and Kumar, Jangam Jagadesh and Krishna, Gamidi Rama and Reddy, Raju Jannapu} } @article {47638, title = {Ni(II)-catalyzed intramolecular C-H/C-H oxidative coupling: an efficient route to functionalized cycloindolones and indenoindolones}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {OCT }, pages = {12384-12393}, type = {Article}, abstract = {Nickel(II)-catalyzed intramolecular C(sp(2))-H/C(sp(3))-H and C(sp(2))-H/C(sp(2))-H oxidative couplings in indoles are achieved via chelation assistance. These reactions provide access to biologically relevant five- and six-membered substituted cyclopentaindolones, carbazolones, and indenoindolones in high yields and good chemoselectivity employing an air-stable and defined nickel catalyst, (bpy)Ni(OAc)(2). The oxidative cyclizations proceeded either through a six-membered or an unconventional seven-membered nickelacycle. An extensive mechanistic investigation by experiments and theoretical calculations revealed a facile indole{\textquoteright}s C(2)-H nickelation and a rate-limiting reductive elimination process. This intramolecular oxidative cyclization operates via a probable Ni(II)/Ni(III) pathway involving single-electron oxidation of nickel without the participation of a carbon-based radical.}, keywords = {C-H activation, cycloindolones, indenoindolones, indoles, Mechanism, Nickel, oxidative coupling}, issn = {2155-5435}, doi = {10.1021/acscatal.1c03314}, author = {Ankade, Shidheshwar B. and Samal, Pragnya Paramita and Soni, Vineeta and Gonnade, Rajesh G. and Krishnamurty, Sailaja and Punji, Benudhar} } @article {47447, title = {Nitrogen activation to reduction on a recyclable V-SAC/BN-graphene heterocatalyst sifted through dual and multiphilic descriptors}, journal = {Journal of Colloid and Interface Science}, volume = {600}, year = {2021}, month = {MAY}, pages = {480-491}, type = {Article}, abstract = {
Efficient reduction of nitrogen to ammonia at a minimal cost would require a recherche catalyst tailored by assimilating the inherent electronic and reactive nature of Single Atom Catalysts (SACs) on heteroatom doped-graphene. A full-scale DFT study accounting for disparate descriptions of atomic orbitals and representation of support, has been carried out to identify the most active and recyclable SAC/B-graphene composite as catalyst for Nitrogen Reduction Reaction (NRR). Dual and Multiphilic descriptors derived reactivity pattern of six different metal SACs V, Fe, Ni, Ru, W and Re on periodic and non-periodic paradigms of pristine and BN-pair doped graphene supports, align with the calculated chemisorption efficacy and activation of N2. The enzymatic route of nitrogen reduction on three most ideal metal SACs (V, W and Re) culminates Vanadium SAC, a relatively cheaper metal, anchored on BNring-graphene with an energy barrier of ⩽1.24 eV as a highly active and recyclable catalyst for NRR.
}, doi = {10.1016/j.jcis.2021.05.027}, author = {Maibam, Ashakiran and Krishnamurty, Sailaja} } @article {47616, title = {Novel gene similar to nitrite reductase (NO forming) plays potentially important role in the latency of tuberculosis}, journal = {Scientific Reports}, volume = {11}, year = {2021}, month = {OCT }, pages = {19813}, type = {Article}, abstract = {The development of the latent phenotype of Mycobacterium tuberculosis (Mtb) in the human lungs is the major hurdle to eradicate Tuberculosis. We recently reported that exposure to nitrite (10 mM) for six days under in vitro aerobic conditions completely transforms the bacilli into a viable but non-cultivable phenotype. Herein, we show that nitrite (beyond 5 mM) treated Mtb produces nitric oxide (NO) within the cell in a dose-dependent manner. Our search for the conserved sequence of NO synthesizing enzyme in the bacterial system identified MRA2164 and MRA0854 genes, of which the former was found to be significantly up regulated after nitrite exposure. In addition, the purified recombinant MRA2164 protein shows significant nitrite dependent NO synthesizing activity. The knockdown of the MRA2164 gene at mRNA level expression resulted in a significantly reduced NO level compared to the wild type bacilli with a simultaneous return of its replicative capability. Therefore, this study first time reports that nitrite induces dormancy in Mtb cells through induced expression of the MRA2164 gene and productions of NO as a mechanism for maintaining non-replicative stage in Mtb. This observation could help to control the Tuberculosis disease, especially the latent phenotype of the bacilli.}, issn = {2045-2322}, doi = {10.1038/s41598-021-99346-1}, author = {Agrawal, Sonia and Gample, Suwarna and Yeware, Amar and Sarkar, Dhiman} } @article {47380, title = {One-dimensional multichannel g-C3N4.7 nanostructure realizing an efficient photocatalytic hydrogen evolution reaction and its theoretical investigations}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {APR }, pages = {3118-3129}, type = {Article}, abstract = {
The emerging metal-free carbon nitride (C3N4) offers prominent possibilities for realizing the highly effective hydrogen evolution reaction (HER). However, its poor surface conductivity and insufficient catalytic sites hinder the HER performance. Herein, a one-dimensional vermicular rope-like graphitic carbon nitride nanostructure is demonstrated that consists of multichannel tubular pores and high nitrogen content, which is fabricated through a cost-effective approach having the final stoichiometry g-C3N4.7 for HER application. The present g-C3N4.7 is unique owing to the presence of abundant channels for the diffusion process, modulated surface chemistry with rich- electroactive sites from N-electron lone pairs, greatly reduced recombination rate of photoexcited exciton pairs, and a high donor concentration (4.26 x 10(17) cm(3)). The catalyst offers a visible-light-driven photocatalytic H-2 evolution rate as high as 4910 mu mol h(-1)g(-1) with an apparent quantum yield of 14.07\% at band gap absorption (2.59 eV, 479 nm) under 7.68 mW cm(-2) illumination. The number of hydrogen gas molecules produced is 1.307 x 10(15) s(-1) cm(-2), which remained constant for a minimum of 18 h of repeated cycling in the HER without any degradation of the catalyst. In density functional theory calculations, a significant change in the band offset is observed due to N doping into the system in favor of electron catalysis. The theoretical band gap of a monolayer of g-C3N4.7 was enormously reduced because of the presence of additional densities of states from the doped N atom inside the band gap. These impurity or donor bands are formed inside the band gap region, which ultimately enhance the hydrogen ion reduction reaction enormously.
}, keywords = {carbon nitride, Density functional theory, hydrogen evolution reaction, nitrogen-rich, Photocatalyst}, issn = {2574-0962}, doi = {10.1021/acsaem.0c02858}, author = {Antil, Bindu and Kumar, Lakshya and Ranjan, Ravi and Shenoy, Sulakshana and Tarafder, Kartick and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {47650, title = {One-pot bioconversion of tomato waste into poly-gamma-glutamic acid (gamma-PGA) biopolymer by a novel biocatalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {9}, year = {2021}, month = {NOV }, pages = {14330-14334}, type = {Article}, abstract = {Landfilling of rotten tomatoes can lead to environmental instability and a huge economic loss to the producers. This letter reports an effective valorization of tomato waste into a promising biopolymer, i.e., poly-gamma-glutamic acid (gamma-PGA) by a novel biocatalyst Bacillus paralicheniformis NCIM 5769. The gamma-PGA is one of the most expensive biopolymers with multifarious applications in wound healing, drug delivery, and regenerative medicine fields. However, its adoption into various applications is finite due to its exorbitant production cost. Herein, rotten tomatoes (without additional nutrient supplementation) served as the chassis for the fermentative production of 40 g/L of highly pure gamma-PGA within 48 h at ambient temperature. Further, NMR, DSC, and TGA confirmed the purity of synthesized gamma-PGA identical to standard gamma-PGA. This process has potential in the commercialization of.-PGA by significantly reducing the production cost, followed by the effective utilization of tomato waste leading to United Nations Sustainable Development Goal 12 (i.e., ensure sustainable consumption and production patterns).}, keywords = {Commercialization, Poly-gamma-glutamic acid, Rotten tomatoes, United Nations Sustainable Development Goals, Waste utilization}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c05362}, author = {Nair, Pranav G. and Joseph, Emmanuel and Killi, Naresh and Konchada, Sravanya and Nisal, Anuya and Gundloori, Rathna Venkata Naga and Dharne, Mahesh S.} } @article {47116, title = {One-pot cascade conversion of renewable furfural to levulinic acid over a bifunctional H3PW12O40SiO2 catalyst in the absence of external H-2}, journal = {Energy \& Fuels}, volume = {35}, year = {2021}, month = {JAN }, pages = {539-545}, type = {Article}, abstract = {
The conversion of biomass-derived furfural (FUR) to levulinic acid (LA), a versatile platform chemical, involves catalytic hydrogenation of FUR followed by acid hydrolysis to LA. However, this two-step process demands expensive separation and purification of the furfuryl alcohol (FAL) intermediate. Herein, we demonstrate an ingenious catalytic strategy for the one-pot cascade conversion of FUR to LA over a bifunctional catalyst without using pure external H-2. Isopropyl alcohol (IPA) served a dual role as a hydrogen donor and solvent while inhibiting the side reactions. Catalysts with a tunable surface area and acidity were synthesized by impregnating different percentages of H3PW12O40 (heteropolyacid) over a SiO2 support. The bifunctionality of the H3PW12O40/SiO2 catalyst is ascribed to the mutual coexistence of Lewis and Brvinsted acid sites. The Lewis acid sites imparted by active W metal sites adsorb hydrogen proton for catalytic transfer hydrogenation of FUR to FAL, while the predominant Brvinsted acid sites catalyze the hydrolysis of FAL to LA. Consequently, H3PW12O40/SiO2 revealed to be a potential catalyst producing an similar to 51\% LA yield under optimized reaction conditions. Moreover, the catalyst was found to be reusable for three catalytic cycles. This study paves the way to develop future biorefinery, particularly direct conversion of FUR to LA over a bifunctional catalyst with a liquid H-donor, in an environmentally benign manner and comply with the green chemistry principles.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.0c03326}, author = {Nandiwale, Kakasaheb Y. and Vishwakarma, Mona and Rathod, Simmy and Simakova, Irina and Bokade, Vijay V.} } @article {47680, title = {One-pot oxidation of secondary alcohols to alpha-hydroxy ketones: application to synthesis of oxoaplysinopsin D, E, F, \& G}, journal = {European Journal of Organic Chemistry}, volume = {2021}, year = {2021}, month = {APR }, pages = {2188-2192}, type = {Article}, abstract = {A simple one-pot transformation of secondary alcohols to alpha-hydroxy ketones using pyridinium dichromate (PDC) in DMF has been developed and substrate scope tested with 25 compounds of hydantoin derivatives. Using this method, we have devised a common dihydroxy intermediate and synthesized four natural products oxoaplysinopsins D, E, F, and G for the first time.}, keywords = {alpha-Hydroxylation, Hydantoin, Natural product, Oxoaplysinopsin, Retro-aldol}, issn = {1434-193X}, doi = {10.1002/ejoc.202100184}, author = {Kulkarni, Akshay S. and Ramesh, Eagala and Reddy, D. Srinivasa} } @inbook {47815, title = {Online tools and antiviral databases for the development of drugs against coronaviruses}, booktitle = {In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and Protocols}, year = {2021}, pages = {717{\textendash}734}, publisher = {Springer US}, organization = {Springer US}, address = {New York, NY}, abstract = {The current crisis of coronavirus pandemic has created an urgent need for readily available scientific information to the researchers, students, professionals, and journalists. The scientific information for the research is costly, and most of the universities and research institutes cannot afford to subscribe to all the coronavirus-related journals/articles during this crisis time. In order to expedite the process of vaccine development and discovery of anti-COVID drugs, most of the pharmaceutical companies, research institutes and publishers are playing a key role and working on war footing to get either a vaccine or an anti-COVID drug as early as possible. The collective efforts are required from everyone in this testing time of the corona crisis. To provide our contribution to the scientific community, we have made here an attempt to give an overview of some of the tools and resources freely available that probably provide some insights in data mining and screening of novel lead molecules toward coronavirus. We have collected and compiled the information of open access online tools and antiviral databases essential for the discovery and development of corona vaccine and anti-COVID drugs. The open access tools include Open Educational Resources (OERs), Google cloud, online prediction server, web-based viewer, etc., while the antiviral databases include libraries of synthetic and untested compounds, antiviral drug databases, antiviral peptides, etc. The information presented in this chapter will help the researchers to use them directly in their projects of coronavirus drug discovery.}, isbn = {978-1-0716-1366-5}, doi = {10.1007/7653_2020_48}, url = {https://doi.org/10.1007/7653_2020_48}, author = {Aher, Rahul Balasaheb and Sarkar, Dhiman}, editor = {Roy, Kunal} } @article {47068, title = {Operando generated ordered heterogeneous catalyst for the selective conversion of CO2 to methanol}, journal = {ACS Energy Letters}, volume = {6}, year = {2021}, month = {FEB }, pages = {509-516}, type = {Article}, abstract = {
The discovery of new materials for efficient transformation of carbon dioxide (CO2) into desired fuel can revolutionize large-scale renewable energy storage and mitigate environmental damage due to carbon emissions. In this work, we discovered an operando generated stable Ni-In kinetic phase that selectively converts CO2 to methanol (CTM) at low pressure compared to the state-of-the-art materials. The catalytic nature of a well-known methanation catalyst, nickel, has been tuned with the introduction of inactive indium, which enhances the CTM process. The remarkable change in the mechanistic pathways toward methanol production has been mapped by operando diffuse reflectance infrared Fourier transform spectroscopy analysis, corroborated by first-principles calculations. The ordered arrangement and pronounced electronegativity difference between metals are attributed to the complete shift in mechanism. The approach and findings of this work provide a unique advance toward the next-generation catalyst discovery for going beyond the state-of-the-art in CO2 reduction technologies.
}, issn = {2380-8195}, doi = {10.1021/acsenergylett.0c02614}, author = {Cherevotan, Arjun and Raj, Jithu and Dheer, Lakshay and Roy, Soumyabrata and Sarkar, Shreya and Das, Risov and Vinod, Chathakudath P. and Xu, Shaojun and Wells, Peter and Waghmare, V, Umesh and Peter, Sebastian C.} } @article {47573, title = {Oral insulin delivery using artificial peptide}, journal = {Indian Journal of Biochemistry \& Biophysics}, volume = {58}, year = {2021}, month = {OCT}, pages = {408-415}, type = {Article}, abstract = {The daily multiple insulin injection is the line of treatment for diabetes mellitus. As the oral insulin delivery mimics, the physiology of endogenous insulin secreted by pancreas. Recently, the search for suitable carrier to develop oral insulin delivery has been intensified. However, the carrier toxicity and very less bioavailability of insulin remains the major problem in the development of oral insulin delivery. Preparation of a non-covalent insulin-peptide complex using different peptide made of 16 to 20 L-amino acids studied to overcome the problem. The in vitro testing of insulin-peptide complex showed significant stability against the proteolytic enzyme. Whereas, in in vivo testing, the presence of 10-41\% insulin in blood plasma observed after 30 to 60 min oral feeding of insulin-peptide complex. Results indicated that the peptide which showed moderate protection against pepsin and minor protection against trypsin and chymotrypsin has an important role in enhancing oral insulin bioavailability. However, the peptide which showed higher protection against trypsin and no protection against pepsin could not achieve significant oral insulin bioavailability.}, keywords = {Bioavailability, Carrier toxicity, Insulin-peptide complex, Oral insulin delivery, Proteolytic enzyme resistance}, issn = {0301-1208}, author = {Adikane, V. Harshavardhan} } @article {47409, title = {Orc4 spatiotemporally stabilizes centromeric chromatin}, journal = {Genome Research}, volume = {31}, year = {2021}, month = {APR}, pages = {607-621}, type = {Article}, abstract = {
The establishment of centromeric chromatin and its propagation by the centromere-specific histone CENPA is mediated by epigenetic mechanisms in most eukaryotes. DNA replication origins, origin binding proteins, and replication timing of centromere DNA are important determinants of centromere function. The epigenetically regulated regional centromeres in the budding yeast Candida albicans have unique DNA sequences that replicate earliest in every chromosome and are clustered throughout the cell cycle. In this study, the genome-wide occupancy of the replication initiation protein Orc4 reveals its abundance at all centromeres in C. albicans. Orc4 is associated with four different DNA sequence motifs, one of which coincides with tRNA genes (tDNA) that replicate early and cluster together in space. Hi-C combined with genome-wide replication timing analyses identify that early replicating Orc4-bound regions interact with themselves stronger than with late replicating Orc4-bound regions. We simulate a polymer model of chromosomes of C. albicans and propose that the early replicating and highly enriched Orc4-bound sites preferentially localize around the clustered kinetochores. We also observe that Orc4 is constitutively localized to centromeres, and both Orc4 and the helicase Mcm2 are essential for cell viability and CENPA stability in C. albicans. Finally, we show that new molecules of CENPA are recruited to centromeres during late anaphase/telophase, which coincides with the stage at which the CENPA-specific chaperone Scm3 localizes to the kinetochore. We propose that the spatiotemporal localization of Orc4 within the nucleus, in collaboration with Mcm2 and Scm3, maintains centromeric chromatin stability and CENPA recruitment in C. albicans.
}, issn = {1088-9051}, doi = {10.1101/gr.265900.120}, author = {Sreekumar, Lakshmi and Kumari, Kiran and Guin, Krishnendu and Bakshi, Asif and Varshney, Neha and Thimmappa, Bhagya C. and Narlikar, Leelavati and Padinhateeri, Ranjith and Siddharthan, Rahul and Sanyal, Kaustuv} } @article {47742, title = {Organic-inorganic perovskitoid with zwitterion cysteamine linker and its crystal-crystal transformation to ruddlesden-popper phase}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {AUG }, pages = {18750-18760}, type = {Article}, abstract = {We demonstrate synthesis of a new low-D hybrid perovskitoid (a perovskite-like hybrid halide structure, yellow crystals, P21/n space group) using zwitterion cysteamine (2-aminoethanethiol) linker, and its remarkable molecular diffusion-controlled crystal-to-crystal transformation to Ruddlesden-Popper phase (Red crystals, Pnma space group). Our stable intermediate perovskitoid distinctly differs from all previous reports by way of a unique staggered arrangement of holes in the puckered 2D configuration with a face-sharing connection between the corrugated-1D double chains. The PL intensity for the yellow phase is 5 orders higher as compared to the red phase and the corresponding average lifetime is also fairly long (143 ns). First principles DFT calculations conform very well with the experimental band gap data. We demonstrate applicability of the new perovskitoid yellow phase as an excellent active layer in a self-powered photodetector and for selective detection of Ni2+ via On-Off-On photoluminescence (PL) based on its composite with few-layer black phosphorous.}, keywords = {Crystal growth, organic-inorganic hybrid composites, perovskite phases, photodetectors, zwitterions}, issn = {1433-7851}, doi = {10.1002/anie.202105918}, author = {Kour, Prachi and Reddy, Mallu Chenna and Pal, Shiv and Sidhik, Siraj and Das, Tisita and Pandey, Padmini and Mukherjee, Shatabdi Porel and Chakraborty, Sudip and Mohite, Aditya D. and Ogale, Satishchandra} } @article {47648, title = {Organoruthenium (II) complexes featuring pyrazole-linked thiosemicarbazone ligands: synthesis, DNA/BSA interactions, molecular docking, and cytotoxicity studies}, journal = {Applied Organometallic Chemistry}, volume = {35}, year = {2021}, month = {OCT}, pages = {e6343}, type = {Article}, abstract = {A series of pyrazol-derived thiosemicarbazone ligands (L1-L4) were synthesized and reacted with [Ru(p-cymene)(mu-Cl)Cl](2) to yield a series of {\textquoteleft}{\textquoteleft}piano-stool{\textquoteright}{\textquoteright}-type binuclear ruthenium (II)-arene-thiosemicarbazone complexes (C1-C8) of the general type [(Ru(eta(6)-p-cym)L)(2)(mu-im/azpy)] Cl1-2 (L = diphenylpyrazole thiosemicarbazone; cym = p-cymene; im = imidazole; azpy = 4,4 {\textquoteleft}-azopyridine). The thiosemicarbazone ligands act as N and S donors binding to the Ru(II) center via the imine nitrogen and the thione sulfur atoms. The complexes were characterized by NMR, FTIR, UV-Vis spectroscopy, and ESI+ mass spectrometry. The binding of the complexes to calf thymus deoxyribonucleic acid (CT-DNA) and bovine serum albumin (BSA) was evaluated, and it has been established that the binuclear complexes have good binding efficacies with DNA (K-b = 10(4)-10(5) M-1) and BSA (K-a = 10(5)-10(6) M-1). This is attributed to the arene moieties present in the ligands of the complexes that can have hydrophobic interactions with DNA/BSA. Ethidium bromide (EB) displacement studies and DNA viscosity measurements revealed intercalative interaction of the complexes with DNA. Static interaction of the complexes with BSA was revealed by fluorescence quenching studies. Molecular docking studies confirmed base stacking, H-bonding, and hydrophobic interactions with the biomolecules. In vitro antiproliferative studies of the complexes affirmed that the complexes are cytotoxic towards the HeLa (human cervical cancer) cell line with IC50 values in range of 17.3-41.3 mu M.}, keywords = {Binuclear ruthenium (II) complexes, BSA binding interactions, DNA, HeLa human cervical carcinoma, pyrazole-derived thiosemicarbazone}, issn = {0268-2605}, doi = {10.1002/aoc.6343}, author = {Khanvilkar, Priyanka and Dash, Soumya R. and Banerjee, Devjani and Vohra, Aliasgar and Devkar, Ranjitsinh and Chakraborty, Debjani} } @article {47749, title = {On the origin of controlled anisotropic growth of monodisperse gold nanobipyramids}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {SEP}, pages = {15292-15300}, type = {Article}, abstract = {We elucidate the crucial role of the cetyl trimethylammonium bromide (CTAB) surfactant in the anisotropic growth mechanism of gold nano-bipyramids, nano-objects with remarkable optical properties and high tunability. Atomistic molecular dynamics simulations predict different surface coverages of the CTAB (positively charged) heads and their (bromide) counterions as function of the gold exposed surfaces. High concentration of CTAB surfactant promotes formation of gold nanograins in solution that work as precursors for the smooth anisotropic growth of more elongated nano-bipyramidal objects. Nanobipyramids feature higher index facets with respect to nanorods, allowing higher CTAB coverages that stabilize their formation and leading to narrower inter-micelles channels that smooth down their anisotropic growth. Absorption spectroscopy and scanning electron microscopy confirmed the formation of nanograins and demonstrated the importance of surfactant concentration on driving the growth towards nano-bipyramids rather than nanorods. The outcome explains the formation of the monodisperse bipyramidal nano-objects, the origin of their controlled shapes and sizes along with their remarkable stability.}, issn = {2040-3364}, doi = {10.1039/d1nr01768c}, author = {Meena, Santosh Kumar and Lerouge, Frederic and Baldeck, Patrice and Andraud, Chantal and Garavelli, Marco and Parola, Stephane and Sulpizi, Marialore and Rivalta, Ivan} } @article {47080, title = {Oxidative radical-mediated addition of ethers to quinone imine ketals: an access to hemiaminals}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {FEB }, pages = {2107-2116}, type = {Article}, abstract = {
The highly regioselective synthesis of substituted hemiaminal via addition of ethers to quinone imine ketals (QIKs) has been developed under metal-free conditions. In the presence of tetrabutylammonium chloride and potassium persulfate (K2S2O8), QIKs couple efficiently with cyclic and acyclic ethers to give hemiaminals. This strategy offers an easy access to substituted hemiaminal ethers with high functional group tolerance in good to excellent yields.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c02254}, author = {More, Satish G. and Kamble, Rohit B. and Suryavanshi, Gurunath} } @article {47461, title = {Oxidative stress induced by piperine leads to apoptosis in Candida albicans}, journal = {Medical Mycology}, volume = {59}, year = {2021}, month = {APR}, pages = {366-378}, type = {Article}, abstract = {
Candida albicans is a member of pathogens with potential drug resistance threat that needs novel chemotherapeutic strategies. Considering the multifarious biological activities including bioenhancer activity, anti-Candida potential of piperine was evaluated against planktonic/biofilm and hyphal growth of C. albicans alone or in combination as a synergistic agent with fluconazole. Piperine inhibits planktonic growth at or less than 15 mu g/ml, hyphae induction at 5 mu g/ml concentration, and exhibits stage-dependent activity against biofilm growth of a fluconazole-resistant strain of C. albicans (ATCC10231). Though piperine couldn{\textquoteright}t kill inoculum completely at minimum inhibitory concentration (MIC), it is fungicidal at higher concentrations, as shown in apoptosis assay. FIC index values indicate that piperine exhibits excellent synergistic activity with fluconazole against planktonic (0.123) and biofilm (0.215) growth of an FLC resistant strain. Mode of anti-Candida activity was studied by identifying piperine responsive proteins wherein the abundance of 25 proteins involved in stress response, signal transduction and cell cycle were modulated (22 up and 3 downregulated) significantly in response to piperine (MIC50). Modulation of the proteins involved suggests that piperine affectsmembrane integrity leading to oxidative stress followed by cell cycle arrest and apoptosis in C. albicans. Flow cytometry-basedmitochondrialmembrane potential (MMP), cell cycle and apoptosis assay, as well as real-time quantitative polymerase chain reaction analysis of selected genes, confirms piperine induced oxidative stress (TRR1), cell cycle arrest and apoptosis (CaMCA1). Based on our results, we conclude that piperine inhibits planktonic and difficult-to treat-biofilm growth of C. albicans by affecting membrane integrity thereby inducing oxidative stress and apoptosis. Lay Abstract Piperine inhibit Candida albicans growth (planktonic and biofilm) significantly in our study. Piperine exhibits excellent synergistic potential with fluconazole The proteome analysis suggests that piperine induced membrane damage leads to oxidative stress followed by cell cycle arrest and apoptosis.
}, keywords = {Apoptosis, C. albicans, drug resistance, piperine, proteomics, synergy}, issn = {1369-3786}, doi = {10.1093/mmy/myaa058}, author = {Thakre, Archana and Jadhav, Vyankatesh and Kazi, Rubina and Shelar, Amruta and Patil, Rajendra and Kharat, Kiran and Zore, Gajanan and Karuppayil, S. Mohan} } @article {46700, title = {Oxime ligands for Pd catalysis of the mizoroki-heck reaction, suzuki-miyaura coupling \& annulation reactions}, journal = {Synthetic Communications}, volume = {51}, year = {2021}, month = {JAN }, pages = {308-316}, type = {Article}, abstract = {
Monodentate and bidentate chelating oximes are readily available ligands for the Pd catalysis of the Mizoroki-Heck reaction and the Suzuki coupling. High yields were obtained in the Suzuki coupling in aqueous dioxane with TBABr as additive. The oximes can be easily synthesized from the corresponding ketones or aldehydes and thus provide a very large number of nitrogen-based ligands. They have the advantage of not undergoing oxidative degradation, common for phosphine ligands. Chelating oximes with Pd(OAc)(2), activate aryl iodides to give high yields of the substitution products in the Mizoroki-Heck reactions as well as the Suzuki coupling. Acetophenone oxime ligand with Pd(OAc)(2), catalyzed the reaction of aryl iodides with 1,2-disubstituted alkenes in moderate to high yields. As a test example, the LaRock indole annulation and synthesis of isocoumarin were achieved with acetophenone oxime ligand and Pd(OAc)(2)in high yields.
}, keywords = {Isocoumarin, LaRock annulation, Mizoroki-Heck reaction, oximes, Suzuki coupling}, issn = {0039-7911}, doi = {10.1080/00397911.2020.1826969, Early Access Date = SEP 2020}, author = {Bangar, Pronnoy G. and Nahide, Pradip D. and Meroliya, Heena K. and Waghmode, Shobha A. and Iyer, Suresh} } @article {47816, title = {Oxime ligands for Pd catalysis of the mizoroki{\textendash}heck reaction, Suzuki{\textendash}Miyaura coupling \& annulation reactions}, journal = {Synthetic Communications}, volume = {51}, year = {2021}, month = {JAN}, pages = {308-316}, type = {Article}, abstract = {AbstractMonodentate and bidentate chelating oximes are readily available ligands for the Pd catalysis of the Mizoroki{\textendash}Heck reaction and the Suzuki coupling. High yields were obtained in the Suzuki coupling in aqueous dioxane with TBABr as additive. The oximes can be easily synthesized from the corresponding ketones or aldehydes and thus provide a very large number of nitrogen-based ligands. They have the advantage of not undergoing oxidative degradation, common for phosphine ligands. Chelating oximes with Pd(OAc)2, activate aryl iodides to give high yields of the substitution products in the Mizoroki{\textendash}Heck reactions as well as the Suzuki coupling. Acetophenone oxime ligand with Pd(OAc)2, catalyzed the reaction of aryl iodides with 1,2-disubstituted alkenes in moderate to high yields. As a test example, the LaRock indole annulation and synthesis of isocoumarin were achieved with acetophenone oxime ligand and Pd(OAc)2 in high yields.}, doi = {10.1080/00397911.2020.1826969}, author = {Bangar, Pronnoy G. and Nahide, Pradip D. and Meroliya, Heena K. and Waghmode, Shobha A. and Iyer, Suresh} } @article {47698, title = {Ozone assisted autohydrolysis of wheat bran enhances xylooligosaccharide production with low generation of inhibitor compounds: a comparative study}, journal = {Bioresource Technology}, volume = {338}, year = {2021}, month = {OCT}, pages = {125559}, type = {Article}, abstract = {In the present study, ozone assisted autohydrolysis (OAAH) was evaluated for enhanced generation of xylooligosaccharide (XOS) from wheat bran. The total XOS yield with optimum ozone dose of 3\% (OAAH-3) was found to be 8.9\% (w/w biomass) at 110 degrees C in comparison to 7.96\% at 170 degrees C by autohydrolysis (AH) alone. Although, there was no significant difference in oligomeric composition (DP 2-6), significant decrease in degradation products namely furfural (2.78-fold), HMF (3.15-fold), acrylamide (nil) and acetic acid (1.06-fold), was observed with OAAH-3 as a pretreatment option. There was 1-fold higher xylan to XOS conversion and OAAH-hydrolysate had higher DPPH radical scavenging activity than AH. PCA plots indicated clear enhancement in XOS production and lower generation of inhibitors with decrease in treatment temperature. Results of the study therefore suggest OAAH can be an effective pretreatment option that can further be integrated with downstream processing for concentration and purification of XOS.}, keywords = {Advanced oxidation, Agro-industry waste, hydrothermal treatment, Ozonolysis, Xylooligosaccharide}, issn = {0960-8524}, doi = {10.1016/j.biortech.2021.125559}, author = {Sonkar, Rutuja Murlidhar and Gade, Pravin Savata and Bokade, Vijay and Mudliar, Sandeep N. and Bhatt, Praveena} } @article {47758, title = {Palladium supported on magnesium hydroxyl fluoride: an effective acid catalyst for the hydrogenation of imines and N-heterocycles}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {OCT }, pages = {19572-19583}, type = {Article}, abstract = {Palladium catalysts supported on acidic fluorinated magnesium hydroxide Pd/MgF2-x(OH)(x) were prepared through precipitation or impregnation methods. Applications to the hydrogenation of various aldimines and ketimines resulted in good catalytic activities at mild temperatures using one atmosphere of hydrogen. Quinolines, pyridines and other N-heterocycles were successfully hydrogenated at higher temperature and hydrogen pressure using low palladium loadings and without the use of any acid additive. Such reactivity trend confirmed the positive effect of the Bronsted and Lewis acid sites from the fluorinated magnesium hydroxide support resulting in the effective pre-activation of N-heterocycle substrates and therefore in the good catalytic activity of the palladium nanoparticles during the hydrogenations. As demonstrated in the hydrogenation of imines, the catalyst was recycled up to 10 times without either loss of activity or palladium leaching.}, issn = {1144-0546}, doi = {10.1039/d1nj03760a}, author = {Kokane, Reshma and Corre, Yann and Kemnitz, Erhard and Dongare, Mohan K. and Agbossou-Niedercorn, Francine and Michon, Christophe and Umbarkar, Shubhangi B.} } @article {46596, title = {Partially bio-based furyl-functionalized organosoluble poly(ether ether ketone)s}, journal = {Polymer International}, volume = {70}, year = {2021}, month = {AUG}, type = {Article}, abstract = {
A new series of partially bio-based (co)poly(ether ether ketone)s bearing pendent furyl groups was synthesized by nucleophilic aromatic substitution polycondensation of varying molar proportions of 4,4 {\textquoteleft}-(furan-2-ylmethylene)bis(2-methoxyphenol) and bisphenol-A with 4,4 {\textquoteleft}-difluorobenzophenone. The chemical structures, compositions and random nature of (co)poly(ether ether ketone)s were confirmed by NMR spectroscopy. Inherent viscosities and number-average molecular weights of the (co)poly(ether ether ketone)s were in the range 0.74-2.90 dL g(-1) and 33 500-46 300 g mol(-1), respectively, indicating the formation of reasonably high molecular weight polymers. (Co)poly(ether ether ketone)s were readily soluble in common organic solvents and could be cast into tough, transparent and flexible films from chloroform solutions. (Co)poly(ether ether ketone)s exhibited 10\% weight loss and glass transition temperatures in the range 429-464 and 152-156 degrees C, respectively. A representative copoly(ether ether ketone) was crosslinked with 1,1 {\textquoteleft}-(methylenedi-1,4-phenylene)bismaleimide via Diels-Alder reaction to form a crosslinked polymer which showed improved mechanical properties and was recycled twice without significant loss of mechanical properties. Diels-Alder/retro Diels-Alder reaction was demonstrated by studies of sol-gel transformation, solubility tests, DSC and stress-strain measurements. (c) 2020 Society of Chemical Industry
}, keywords = {aromatic poly(ether ether ketone)s, bio-based, crosslinking, Diels-Alder reaction, pendent furyl groups}, issn = {0959-8103}, doi = {10.1002/pi.6160}, author = {Kuhire, Sachin S. and Talanikar, Aniket A. and Tawade, V, Bhausaheb and Nagane, Samadhan S. and Wadgaonkar, Prakash P.} } @article {47428, title = {Partially bio-based triarylamine-containing polyimides: synthesis, characterization and evaluation in non-volatile memory device applications}, journal = {European Polymer Journal}, volume = {147}, year = {2021}, month = {MAR }, pages = {110327}, type = {Article}, abstract = {
A new triarylamine-containing diamine, viz. 4, 4{\textquoteright}-diamino-4 {\textquoteleft}{\textquoteright} pentadecyltriphenylamine was synthesised starting from cashew nut shell liquid (CNSL) - a non-edible by-product of cashew processing industry. Three new partially bio-based triarylamine-containing polyimides were synthesised by one-step high temperature solution poly-condensation of 4, 4{\textquoteright}-diamino-4 {\textquoteleft}{\textquoteright} pentadecyltriphenylamine with aromatic dianhydrides, namely, 3,3{\textquoteright},4,4{\textquoteright}-biphenyltetracarboxylic dianhydride (BPDA), 4,4{\textquoteright}-oxydiphthalic anhydride (ODPA) and 4,4{\textquoteright}-(hexa-fluoroisopropylidene) diphthalic anhydride (6-FDA). Polyimides were determined to be of reasonably high molecular weights as inherent viscosity and number average molecular weights (M-n, Polystyrene standard) values were in the range 0.54-0.60 dL g(-1) and 26,800-43,500 g mol(-1), respectively. Polyimides exhibited excellent solubility in common organic solvents and film-forming nature along with reasonably good thermal properties as indicated by temperature for 10\% weight loss (T-10) and glass transition temperatures (T-g) which were in the range 418-447 and 165-225 degrees C, respectively. The optical and electrochemical band-gap values were in the range of 1.95-1.98 eV and 1.671-1.745 eV, respectively. Among triarylamine-containing polyimide devices, BPDA-based device showed acceptable current-voltage and non-volatile memory properties such as the endurance of 500 cycles and 1000 s of retention time. The conduction mechanism developed in the memory devices was also explored and was found to follow Ohmic and Schottky conduction mechanisms.
}, keywords = {Bio-based polyimides, CNSL, Memory device, pentadecyl, Triarylamine}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2021.110327}, author = {Chatterjee, Deepshikha and Jadhav, Uday A. and Javaregowda, Bharathkumar H. and Dongale, Tukaram D. and Patil, Pramod S. and Wadgaonkar, Prakash P.} } @article {47607, title = {Pd(II)-catalyzed chemoselective acetoxylation of C(sp(2))-H and C(sp(3))-H bonds in tertiary amides}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {JUN }, pages = {8172-8181}, type = {Article}, abstract = {Palladium-catalyzed chemoselective C(sp(2))-H and C(sp(3))-H acetoxylation of synthetically useful tertiary amides is reported under relatively mild reaction conditions. This protocol proceeds through the assistance of a weakly coordinated directing group (C = O) and requires low catalyst (1.0 mol \%) loading. Diverse functionalities, such as C(sp(2))-Cl, C(sp(3))-Cl, -CF3, -COOEt, and -NO2 groups, including morpholinyl, piperazinyl, and pyrrolidinyl heterocycles, are compatible under the reaction conditions. Further functionalization of this protocol is demonstrated by hydrolysis to alcohols, alcohol-acids, as well as reduction to tertiary amines. A preliminary kinetic isotope effect study supported the rate-limiting C-H bond activation process.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00629}, author = {Vijaykumar, Muniyappa and Punji, Benudhar} } @article {47725, title = {PdP/WO3 multi-functional catalyst with high activity and stability for direct liquid fuel cells (DLFCs)}, journal = {Sustainable Energy \& Fuels}, volume = {5}, year = {2021}, month = {SEP}, pages = {4758-4770}, type = {Article}, abstract = {Direct liquid fuel cells are energy conversion devices which utilize formate and methanol as fuels. These systems are relieved of the problem of H-2 transport and storage, making them highly desirable for various practical applications. However, the low stability and activity of carbon supported catalysts such as Pt/C both in the anode and cathode is a critical hindering factor towards their further development. As a practical solution to overcome this issue, in this work, we report on the development of phosphorus-doped palladium (PdP) nanoparticle-supported tungsten oxide (WO3) nanorods (PdP/WO3) as a versatile multifunctional catalyst for facilitating the oxidation of formate and methanol in the anode and the oxygen reduction reaction (ORR) in the cathode. Strong metal-support interactions and electronic modifications incurred by the doped phosphorus help this system to achieve desirable properties to enable it to effectively function both for the anode and cathode applications. PdP/WO3 showed 16-times higher mass activity compared to Pt/C even after 3000 start/stop cycles for the ORR. For formate and methanol oxidation, PdP/WO3 exhibited current densities of 0.50 and 0.734 A mg(Pd)(-1), respectively, outperforming the state-of-the-art catalysts. With these bifunctional features, PdP/WO3 stands out as a potential system to be used as an anode and cathode catalyst in direct liquid fuel cells, all the while offering an opportunity for the development of carbon-free electrocatalysts.}, issn = {2398-4902}, doi = {10.1039/d1se00584g}, author = {Kumar, Sachin and Soni, Roby and Kurungot, Sreekumar} } @article {47583, title = {PEGylated ethyl cellulose micelles as a nanocarrier for drug delivery}, journal = {RSC Advances}, volume = {11}, year = {2021}, month = {NOV }, pages = {30532-30543}, type = {Article}, abstract = {Natural polymers provide a better alternative to synthetic polymers in the domain of drug delivery systems (DDSs) because of their renewability, biocompatibility, and low immunogenicity; therefore, they are being studied for the development of bulk/nanoformulations. Likewise, current methods for engineering natural polymers into micelles are in their infancy, and in-depth studies are required using natural polymers as controlled DDSs. Accordingly, in our present study, a new micellar DDS was synthesized using ethyl cellulose (EC) grafted with polyethylene glycol (PEG); it was characterized, its properties, cell toxicity, and hemocompatibility were evaluated, and its drug release kinetics were demonstrated using doxorubicin (DOX) as a model drug. Briefly, EC was grafted with PEG to form the amphiphilic copolymers EC-PEG1 and EC-PEG2 with varying PEG concentrations, and nano-micelles were prepared with and without the drug (DOX) via a dialysis method; the critical micelle concentrations (CMCs) were recorded to be 0.03 mg mL(-1) and 0.00193 mg mL(-1) for EC-PEG1 and EC-PEG2, respectively. The physicochemical properties of the respective nano-micelles were evaluated via various characterization techniques. The morphologies of the nano-micelles were analyzed via transmission electron microscopy (TEM), and the average size of the nano-micelles was recorded to be similar to 80 nm. In vitro, drug release studies were done for 48 h, where 100\% DOX release was recorded at pH 5.5 and 52\% DOX release was recorded at pH 7.4 from the micelles. In addition, cytotoxicity studies suggested that DOX-loaded micelles were potent in killing MDA-MB-231 and MCF-7 cancer cells, and the blank micelles were non-toxic toward cancerous and normal cells. A cellular uptake study via fluorescence microscopy indicated the internalization of DOX-loaded micelles by cancer cells, delivering the DOX into the cellular compartments. Based on these studies, we concluded that the developed material should be studied further via in vivo studies to understand its potential as a controlled DDS to treat cancer.}, doi = {10.1039/d1ra04242d}, author = {Singam, Amarnath and Killi, Naresh and Patel, Pratikshkumar R. and Gundloori, Rathna V. N.} } @article {47778, title = {Performance of Aspergillus niger (NCIM 563) phytase based feed supplement for broiler growth and phosphorus excretion}, journal = {Biocatalysis and Agricultural Biotechnology}, volume = {31}, year = {2021}, month = {JAN}, pages = {101887}, type = {Article}, abstract = {Despite availability of commercial enzymes, the phytase produced from relatively inexpensive systems with high yields are gaining global attention in the feed industries in post-antibiotic era. We studied A. niger NCIM 563 Phytase produced in solid state fermentation (SSF) derived Koji powder and evaluated its utility in the poultry feed for broiler growth performance and phosphorous (P) excretion. The ability of phytase in the dried powder was estimated to dephytinize the poultry feed under simulated gastric conditions. Poultry feed was formulated using A. niger NCIM 563 phytase followed by a 42 days feed trial on broilers. After supplementation of phytase to the diet, there was a reduction of dietary P, maintained growth performance, skeletal development of broilers and reduced levels of phytic acid and available P in the litter. Extracellular phytase was able to replace up to 0.1\% P in poultry feed. Minimal downstream processing a low-cost feed supplement with significant phytase activity could provide added advantage for anti-nutrition free poultry feed.}, keywords = {Phosphorus, Phytase, Poultry feed, Solid state fermentation}, isbn = {1878-8181}, doi = {10.1016/j.bcab.2020.101887}, url = {https://www.sciencedirect.com/science/article/pii/S1878818120319186}, author = {Puppala, Kumar Raja and Buddhiwant, Priyanka G. and Agawane, Sachin B. and Kadam, Avinash S. and Mote, Chandrashekhar S. and Lonkar, Vijaysinh D. and Khire, Jayant M. and Dharne, Mahesh S.} } @inbook {47436, title = {Perspective on perovskite solar cells}, booktitle = {New Research Directions in Solar Energy Technologies}, year = {2021}, pages = {55-151}, publisher = {Springer}, organization = {Springer}, doi = {10.1007/978-981-16-0594-9_4}, author = {Bhaumik, Saikat and Saha, Sudip K. and Rath, Arup K.} } @article {46985, title = {Pharmacophore modeling of pretomanid (PA-824) derivatives for antitubercular potency against replicating and non-replicating Mycobacterium tuberculosis}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {39}, year = {2021}, month = {FEB}, pages = {889-900}, type = {Article}, abstract = {
Pretomanid (PA-824) is the recently (2019) approved drug for the treatment of extensively drug-resistant (XDR) TB and the multidrug-resistant (MDR) TB by US FDA. The experimental data of antitubercular activity of 543 pretomanid derivatives (total 6 datasets) against replicating (active) and non-replicating (dormant) forms of Mycobacterium tuberculosis (strain H37Rv) are available in the literature. Such vast experimental data of pretomanid derivatives against both of these endpoints, and recent approval of pretomanid molecule as a drug encouraged us to utilize this existing experimental information for the development of the 3D-pharmacophore models. The developed model (Hypo-1, MABA) showed the three physicochemical features namely, the oxygen atom of nitro group (HBA_1), fused pyran ring of imidazopyran heterocycle (HYAl_2) and the 4-fluorophenyl moiety (HYAr_3) are crucial for the antitubercular activity against replicating M. tb. Subsequently, the pharmacophore model (Hypo-1, LORA) developed against the non-replicating form of M. tb also showed the contribution of three physicochemical features namely, the 4-tri-fluoromethyl group (HYAl_2) and both the phenyl groups (HYAr_3, HYAr_4) of biaryl moiety in increasing the antitubercular activity. Both the pharmacophoric classifier models showed the classification accuracies of 82.98 and 74.42\% for the training set compounds, and 63.91 and 61.60\% for the test set compounds respectively, for labelling the compounds into higher and lower active classes. Both the models were also found to be retaining the higher active compounds in top 1.00\% of the total number of compounds (decoys and actives), after performing the decoy set screening. Communicated by Ramaswamy H. Sarma
}, keywords = {LORA assay, MABA assay, Mycobacterium tuberculosis, non-replicating M, pharmacophore modeling, pretomanid derivatives, replicating M, tuberculosis, virtual screening}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1719205, Early Access Date = JAN 2020}, author = {Aher, Rahul Balasaheb and Sarkar, Dhiman} } @article {47329, title = {Pharmacore maping based on docking, ADME/toxicity, virtual screening on 3,5-dimethyl-1,3,4-hexanetriol and dodecanoic acid derivates for anticancer inhibitors}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {39}, year = {2021}, month = {JAN}, pages = {4490-4500}, type = {Article}, abstract = {
Plants produced natural generating products play a significant role in drug discovery of new bioactive compounds and these are used for advancement of innovative curative drugs for specific target health diseases. In this study Docking and ADME/T virtual screening method are apply for in drug discovery and can be divided into ligand- and target structure-based. The aim of this study was to analyze theDecalepis hamiltoniiisolated compounds by using the evaluation of molecular docking and virtual screening of anticancer drugs. MOE docking ADME/Toxicity and virtual screening approaches. A docking energy -12.97 kcal/mol; -9.93- kcal/mol on cancer responsible protein was targeted. Further, the compounds were filtered through the rule of five, ADME/Toxicity risk and synthetic accessibility. The active compound were then docked to recognize the possible target binding pocket to obtain a set of a ligand poses and to prioritize the predicted active compounds. The scrutinize compounds, as well as their metabolites were evaluated for different pharmacokinetics parameter such as ADME/Toxicity. Therefore, the result shows that a large number of compounds were found to be ADME/toxicity positive to be a positive drug molecule against cancer, selected compounds under study satisfies parameters for ADME and Toxicity properties. The present study demonstrate to identifying the novel structures which are having similar structural feature with like activity with respect to the compounds 3,5-Dimethyl-1,3,4-Hexanetriol and Dodecanoic acid that are shown best binding energy with the receptors 4igk and 4b3z respectively. This study may provide significant clues for discovery novel drug inhibitors for cancer properties.
}, keywords = {ADME, Decalepis hamiltonii, docking, drug discovery, Toxicity, virtual screening}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1778533}, author = {Prakash, Palanisamy and Vijayasarathi, Durairaj and Selvam, Kuppusamy and Karthi, Sengodan and Manivasagaperumal, Rengarajan} } @article {47344, title = {pH-dependent protein stability switch coupled to the perturbed pKa of a single ionizable residue}, journal = {Biophysical Chemistry}, volume = {274}, year = {2021}, month = {JUL}, pages = {106591}, type = {Article}, abstract = {
The contribution of electrostatic interactions in protein stability has not been fully understood. Burial of an ionizable amino acid inside the hydrophobic protein core can affect its ionization equilibrium and shift its pKa differentially in the native (N) and unfolded (U) states of a protein and this coupling between the folding/ unfolding cycle and the ionization equilibria of the ionizable residue can substantially influence the protein stability. Here, we studied the coupling of the folding/unfolding cycle with the ionization of a buried ionizable residue in a multi-domain protein, Human Serum Albumin (HSA) using fluorescence spectroscopy. A pHdependent change in the stability of HSA was observed in the near native pH range (pH 6.0-9.0). The protonation-deprotonation equilibrium of a single thiol residue that is buried in the protein structure was identified to give rise to the pH-dependent protein stability. We quantified the pKa of the thiol residue in the N and the U states. The mean pKa of the thiol in the N state was upshifted by 0.5 units to 8.7 due to the burial of the thiol in the protein structure. Surprisingly, the mean pKa of the thiol in the U state was observed to be downshifted by 1.3 units to 6.9. These results indicate that some charged residues are spatially proximal to the thiol group in the U state. Our results suggest that, in addition to the N state, electrostatic interactions in the U state are important determinants of protein stability.
}, keywords = {electrostatic interactions, Fluorescence spectroscopy, Thermodynamic stability, Unfolded proteins}, issn = {0301-4622}, doi = {10.1016/j.bpc.2021.106591}, author = {Mishra, Prajna and Patni, Divya and Jha, Santosh Kumar} } @article {47704, title = {Phosphine-free manganese(II)-catalyst enables acceptorless dehydrogenative coupling of alcohols with indoles}, journal = {Advanced Synthesis \& Catalysis}, volume = {363}, year = {2021}, month = {SEP }, pages = {4430-4439}, type = {Article}, abstract = {Herein, an air-stable, molecularly defined NNN-Mn(II) pincer complex catalyzed acceptorless dehydrogenative coupling of alcohols with indoles is reported. A wide variety of symmetrical and unsymmetrical bis(indolyl)methane derivatives as well as some structurally important products such as Vibrindole A, Turbomycin B alkaloid, Antileukemic, and Anticancer agents were synthesized. Mechanistic studies illustrate the importance of the NH moiety in the complex and the crucial role of metal-ligand cooperation during catalysis.}, keywords = {acceptorless dehydrogenation, Alcohol, Indole, manganese, phosphine-free}, issn = {1615-4150}, doi = {10.1002/adsc.202100621}, author = {Yadav, Vinita and Balaraman, Ekambaram and Mhaske, Santosh B.} } @article {47594, title = {Phosphite mediated asymmetric N to C migration for the synthesis of chiral heterocycles from primary amines}, journal = {Chemical Science}, volume = {12}, year = {2021}, month = {JUL}, pages = {8996-9003}, type = {Article}, abstract = {A phosphite mediated stereoretentive C-H alkylation of N-alkylpyridinium salts derived from chiral primary amines was achieved. The reaction proceeds through the activation of the N-alkylpyridinium salt substrate with a nucleophilic phosphite catalyst, followed by a base mediated [1,2] aza-Wittig rearrangement and subsequent catalyst dissociation for an overall N to C-2 alkyl migration. The scope and degree of stereoretention were studied, and both experimental and theoretical investigations were performed to support an unprecedented aza-Wittig rearrangement-rearomatization sequence. A catalytic enantioselective version starting with racemic starting material and chiral phosphite catalyst was also established following our understanding of the stereoretentive process. This method provides efficient access to tertiary and quaternary stereogenic centers in pyridine systems, which are prevalent in drugs, bioactive natural products, chiral ligands, and catalysts.}, issn = {2041-6520}, doi = {10.1039/d1sc01217g}, author = {Rani, Soniya and Dash, Soumya Ranjan and Bera, Asish and Alam, Md Nirshad and Vanka, Kumar and Maity, Pradip} } @article {47056, title = {Phosphoinositides signaling modulates microglial actin remodeling and phagocytosis in Alzheimer{\textquoteright}s disease}, journal = {Cell Communication and Signaling}, volume = {19}, year = {2021}, month = {FEB}, pages = {28}, type = {Review}, abstract = {
Alzheimer{\textquoteright}s disease is one of the neurodegenerative diseases, characterized by the accumulation of abnormal protein deposits, which disrupts signal transduction in neurons and other glia cells. The pathological protein in neurodegenerative diseases, Tau and amyloid-P contribute to the disrupted microglial signaling pathways, actin cytoskeleton, and cellular receptor expression. The important secondary messenger lipids i.e., phosphatidylinositols are largely affected by protein deposits of amyloid-beta in Alzheimer{\textquoteright}s disease. Phosphatidylinositols are the product of different phosphatidylinositol kinases and the state of phosphorylation at D3, D4, and D5 positions of inositol ring. Phosphatidylinositol 3,4,5-triphosphate (PI 3, 4, 5-P3) involves in phagocytic cup formation, cell polarization, whereas Phosphatidylinositol 4,5-bisphosphate (PI 4, 5-P2)-mediates the process of phagosomes formation and further its fusion with early endosome.. The necessary activation of actin-binding proteins such as Rac, WAVE complex, and ARP2/3 complex for the actin polymerization in the process of phagocytosis, migration is regulated and maintained by PI 3, 4, 5-P3 and PI 4, 5-P2. The ratio and types of fatty acid intake can influence the intracellular secondary lipid messengers along with the cellular content of phaphatidylcholine and phosphatidylethanolamine. The Amyloid-beta deposits and extracellular Tau seeds disrupt phosphatidylinositides level and actin cytoskeletal network that hamper microglial-signaling pathways in AD. We hypothesize that being a lipid species intracellular levels of phosphatidylinositol would be regulated by dietary fatty acids. Further we are interested to understand phosphoinositide-based signaling cascades in phagocytosis and actin remodeling.
}, keywords = {actin remodeling, Alzheimer{\textquoteright}s disease, Dietary fatty acids, Phagocytosis, Phosphoinositides, PI3K signaling}, doi = {10.1186/s12964-021-00715-0}, author = {Desale, Smita Eknath and Chinnathambi, Subashchandrabose} } @article {47038, title = {Phosphorus ligands in hydroformylation and hydrogenation: a personal account}, journal = {Chemical Record}, year = {2021}, month = {MAR}, type = {Article; Early Access}, abstract = {
Metal-catalyzed hydroformylation and hydrogenation heavily rely on ligands, among which phosphorous ligands play a pivotal role. This personal account presents a selection of three distinct classes of phosphorous ligands, namely, monodentate meta-substituted phosphinites, bis-phosphites, and P-chiral supramolecular phosphines, developed in our group. The synthesis of these ligands, isolation, characterization, and their performance in transition metal-catalyzed hydroformylation, isomerizing hydroformylation, and asymmetric hydrogenation of olefins is summarized. The state of the art development in iron-catalyzed hydroformylation of alkenes and our contributions to the field is discussed. Use of phosphines enabled iron-catalyzed hydroformylation of alkenes under mild conditions. Thus, this account demonstrates the central role of phosphorus ligands in industrially relevant transformations such as hydrogenation and hydroformylation. The seemingly matured field of ligand discovery still holds significant potential and will steer the field of homogeneous catalysis.
}, keywords = {Homogeneous catalysis, Hydroformylation, Hydrogenation, Olefins, Phosphorus ligands}, issn = {1527-8999}, doi = {10.1002/tcr.202100007, Early Access Date = MAR 2021}, author = {Tewari, Tanuja and Kumar, Rohit and Chandanshive, Amol C. and Chikkali, Samir H.} } @article {47061, title = {Photoactivatable prodrug for simultaneous release of mertansine and CO along with a BODIPY derivative as a luminescent marker in mitochondria: a proof of concept for NIR image-guided cancer therapy}, journal = {Chemical Science}, volume = {12}, year = {2021}, month = {FEB}, pages = {2667-2673}, type = {Article}, abstract = {
Controlled and efficient activation is the crucial aspect of designing an effective prodrug. Herein we demonstrate a proof of concept for a light activatable prodrug with desired organelle specificity. Mertansine, a benzoansamacrolide, is an efficient microtubule-targeting compound that binds at or near the vinblastine-binding site in the mitochondrial region to induce mitotic arrest and cell death through apoptosis. Despite its efficacy even in the nanomolar level, this has failed in stage 2 of human clinical trials owing to the lack of drug specificity and the deleterious systemic toxicity. To get around this problem, a recent trend is to develop an antibody-conjugatable maytansinoid with improved tumor/organelle-specificity and lesser systematic toxicity. Endogenous CO is recognized as a regulator of cellular function and for its obligatory role in cell apoptosis. CO blocks the proliferation of cancer cells and effector T cells, and the primary target is reported to be the mitochondria. We report herein a new mitochondria-specific prodrug conjugate (Pro-DC) that undergoes a photocleavage reaction on irradiation with a 400 nm source (1.0 mW cm(-2)) to induce a simultaneous release of the therapeutic components mertansine and CO along with a BODIPY derivative (BODIPY(PPH3)(2)) as a luminescent marker in the mitochondrial matrix. The efficacy of the process is demonstrated using MCF-7 cells and could effectively be visualized by probing the intracellular luminescence of BODIPY(PPH3)(2). This provides a proof-of-concept for designing a prodrug for image-guided combination therapy for mainstream treatment of cancer.
}, issn = {2041-6520}, doi = {10.1039/d0sc06270g}, author = {Tiwari, Rajeshwari and Shinde, Prashant S. and Sreedharan, Sreejesh and Dey, Anik Kumar and Vallis, Katherine A. and Mhaske, Santosh B. and Pramanik, Sumit kumar and Das, Amitava} } @article {47502, title = {Photoactive anthraquinone-based host-guest assembly for long-lived charge separation}, journal = {Journal of Physical Chemistry C }, volume = {125}, year = {2021}, month = {MAY}, pages = {10891-10900}, type = {Article}, abstract = {Porous 2D covalent organic frameworks (COF) that are assembled axially through weak p-stacking interactions can provide reticular charge transport channels while playing host to kinetically stabilized reactive molecular redox states. Here we demonstrate a host-guest supramolecular charge transfer (CT) assembly using photoactive anthraquinone-based COF as an acceptor while incarcerating the electron donor N,N-dimethylaniline (DMA) inside it. Employing femtosecond broadband transient absorption spectroscopy in combination with electron paramagnetic resonance (EPR) studies, we show that the CT occurs rapidly within <110 fs after photoexcitation, subsequently leading to long-lived charge separation with 13\% quantum efficiency at room temperature. The photoinduced EPR signature of the long-lived confined DMA cation radical confirms the disparate regions of charge localization while H-1-C-13 correlation experiments using solid-state NMR spectroscopy enumerate the packing of the amines inside the host-guest COF assembly. Our work demonstrates the potency of charge transport pathways in supramolecular assemblies for efficient charge separation which if optimally tuned should pave the way for COF-based photocatalytic reaction centers.}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.1c02497}, author = {Jha, Ajay and Mote, Kaustubh R. and Chandra, Suman and Madhu, Perunthiruthy K. and Dasgupta, Jyotishman} } @article {47041, title = {Photodynamic sensitizers modulate cytoskeleton structural dynamics in neuronal cells}, journal = {Cytoskeleton}, volume = {78}, year = {2021}, month = {JUN}, pages = {232-248}, type = {Review}, abstract = {
The neuronal cytoskeleton plays a crucial role in maintaining cell integrity and functioning of neurons. Cytoskeleton deformities have been reported to be associated with neurodegenerative diseases thus; cytoskeleton can be targeted for therapeutic strategies. The therapeutic application of photosensitive molecule is termed as photodynamic therapy (PDT). PDT has been applied in the field of dermatology, cancer biology, and antimicrobial therapy. PDT induces several changes in cells, which include induction of apoptosis, DNA damage, and induction of inflammatory response. PDT has been also reported to modulate cytoskeleton such as actin dynamics. The in vitro studies suggested that PDT using dyes such as Toluidine Blue and Rose Bengal effectively modulated the actin cytoskeleton, neurite outgrowth, tubulin, and Tau aggregation. In this review, we focused on the effect of photosensitized molecules on various cytoskeleton proteins. We hypothesize that PDT could have potency against Alzheimer{\textquoteright}s disease and other neurodegenerative disorders.
}, keywords = {Actin, Alzheimer\&apos, cytoskeleton modulation, neuronal cytoskeleton, photodynamic therapy, s disease, Tubulin}, issn = {1949-3584}, doi = {10.1002/cm.21655, Early Access Date = MAR 2021}, author = {Dubey, Tushar and Chinnathambi, Subashchandrabose} } @article {47817, title = {Photodynamic treatment modulates various GTPase and cellular signalling pathways in Tauopathy}, journal = {Small GTPases}, year = {2021}, month = {JUN}, pages = {1-13}, type = {Article}, abstract = {ABSTRACTThe application of photo-excited dyes for treatment is known as photodynamic therapy (PDT). PDT is known to target GTPase proteins in cells, which are the key proteins of diverse signalling cascades which ultimately modulate cell proliferation and death. Cytoskeletal proteins play critical roles in maintaining cell integrity and cell division. Whereas, it was also observed that in neuronal cells PDT modulated actin and tubulin resulting in increased neurite growth and filopodia. Recent studies supported the role of PDT in dissolving the extracellular amyloid beta aggregates and intracellular Tau aggregates, which indicated the potential role of PDT in neurodegeneration. The advancement in the field of PDT led to its clinical approval in treatment of cancers, brain tumour, and dermatological acne. Although several question need to be answered for application of PDT in neuronal cells, but the primary studies gave a hint that it can emerge as potential therapy in neural cells.}, doi = {10.1080/21541248.2021.1940722}, author = {Dubey, Tushar and Chinnathambi, Subashchandrabose} } @article {47687, title = {Photoinduced multicomponent regioselective synthesis of 1,4,5-trisubstituted-1,2,3-triazoles: transition metal-, azide- and oxidant-free protocol}, journal = {Advanced Synthesis \& Catalysis}, volume = {363}, year = {2021}, month = {JUL }, pages = {3560-3565}, type = {Article}, abstract = {A transition metal- and azide-free approach is explored to synthesize 1,4,5-trisubstituted-1,2,3-triazoles under sunlight. The reaction proceeds via C-N and N-N bond formations. These regioselective 1,2,3-triazoles are obtained from isatin Schiff bases, benzaldehydes and tosylhydrazine in the presence of base. This protocol offers the structurally diverse 1,2,3-triazole derivatives with 75-90\% yields.}, keywords = {1, 2, 3-triazoles, 4, 5-trisubstituted-1, azide- and oxidant free protocol, Cycloaddition, milder reaction conditions, molecular diversity, Multicomponent reaction, Regioselectivity, transition metal-}, issn = {1615-4150}, doi = {10.1002/adsc.202100321}, author = {Sai Allaka, Bhargava and Basavoju, Srinivas and Rama Krishna, Gamidi} } @article {47832, title = {Physicochemical and in vitro antibacterial evaluation of metronidazole loaded eudragit S-100 nanofibrous mats for the intestinal drug delivery}, journal = {Advanced Fiber Materials}, volume = {4}, year = {2021}, month = {AUG}, pages = {76-88}, type = {Article}, abstract = {
Metronidazole (MTZ) loaded Eudragit S-100 (ES-100) nonwoven nanofibrous mats were successfully electrospun and evaluated for intestinal drug delivery. MTZ was varied in the range of 1{\textendash}15\% (w/w) in ES-100 nanofibrous mats, the morphological characterization of nanofibrous mats was carried out using FE-SEM and the average diameter of nanofiber was found in the range 150{\textendash}600\ nm. WAXD and DSC demonstrated the amorphous nature of MTZ in ES-100 nanofibrous mats. Their contact angle analysis confirmed the hydrophobic nature. The mechanical strength of ES-100 nanofibrous mats decreased with increasing MTZ concentration. The drug release profiles showed 74\% MTZ release from ES-100d within 2\ h at pH 6.8 which is the colonic environment. Antibacterial activities against gram-positive bacteria (Staphylococcus aureus) and gram-negative bacteria (Escherichia coli) showed that the ES-100 nanofibrous mats loaded with MTZ exhibited good activity.
}, isbn = {2524-793X}, doi = {10.1007/s42765-021-00090-y}, author = {Rade, Priyanka P. and Giram, Prabhanjan S. and Shitole, Ajinkya A. and Sharma, Neeti and Garnaik, Baijayantimala} } @article {47718, title = {PINIR: a comprehensive information resource for Pin-II type protease inhibitors}, journal = {BMC Plant Biology}, volume = {21}, year = {2021}, month = {JUN }, pages = {267}, type = {Article}, abstract = {Background: Serine protease inhibitors belonging to the Potato type-II Inhibitor family Protease Inhibitors (Pin-II type PIs) are essential plant defense molecules. They are characterized by multiple inhibitory repeat domains, conserved disulfide bond pattern, and a tripeptide reactive center loop. These features of Pin-II type PIs make them potential molecules for protein engineering and designing inhibitors for agricultural and therapeutic applications. However, the diversity in these PIs remains unexplored due to the lack of annotated protein sequences and their functional attributes in the available databases. Results: We have developed a database, PINIR (Pin-II type PIs Information Resource), by systematic collection and manual annotation of 415 Pin-II type PI protein sequences. For each PI, the number and position for signature sequences are specified: 695 domains, 75 linkers, 63 reactive center loops, and 10 disulfide bond patterns are identified and mapped. Database analysis revealed novel subcategories of PIs, species-correlated occurrence of inhibitory domains, reactive center loops, and disulfide bond patterns. By analyzing linker regions, we predict that alternative processing at linker regions could generate PI variants in the Solanaceae family. Conclusion: PINIR (https://pinir.ncl.res.in) provides a web interface for browsing and analyzing the protein sequences of Pin-II type PIs. Information about signature sequences, spatio-temporal expression, biochemical properties, gene sequences, and literature references are provided. Analysis of PINIR depicts conserved species-specific features of Pin-II type PI protein sequences. Diversity in the sequence of inhibitory domains and reactive loops directs potential applications to engineer Pin-II type PIs. The PINIR database will serve as a comprehensive information resource for further research into Pin-II type PIs.}, keywords = {annotation, Data analysis, Database, Knowledge representation, Pin-II type protease inhibitor, Protein sequence analysis}, issn = {1471-2229}, doi = {10.1186/s12870-021-03027-0}, author = {Yadav, Nikhilesh K. and Saikhedkar, Nidhi S. and Giri, Ashok P.} } @article {47710, title = {Plasma-derived extracellular vesicles reveal galectin-3 binding protein as potential biomarker for early detection of glioma}, journal = {Frontiers in Oncology}, volume = {11}, year = {2021}, month = {NOV 26}, pages = {778754}, type = {Article}, abstract = {{Gliomas are the most common type of the malignant brain tumor, which arise from glial cells. They make up about 40\% of all primary brain tumors and around 70\% of all primary malignant brain tumors. They can occur anywhere in the central nervous system (CNS) and have a poor prognosis. The average survival of glioma patients is approximately 6-15 months with poor aspects of life. In this edge, identification of proteins secreted by cancer cells is of special interest because it may provide a better understanding of tumor progression and provide early diagnosis of the diseases. Extracellular vesicles (EVs) were isolated from pooled plasma of healthy controls (n=03) and patients with different grades of glioma (Grade I or II or III}, keywords = {blood-based biomarker, early detection, galectin-3 binding protein, plasma-derived extracellular vesicles, proteomics}, issn = {2234-943X}, doi = {10.3389/fonc.2021.778754}, author = {Rana, Rashmi and Chauhan, Kirti and Gautam, Poonam and Kulkarni, Mahesh and Banarjee, Reema and Chugh, Parul and Chhabra, Satnam Singh and Acharya, Rajesh and Kalra, Samir Kumar and Gupta, Anshul and Jain, Sunila and Ganguly, Nirmal Kumar} } @article {47088, title = {PNA-mediated efflux inhibition as a therapeutic strategy towards overcoming drug resistance in Mycobacterium smegmatis}, journal = {Microbial Pathogenesis}, volume = {151}, year = {2021}, month = {FEB}, pages = {104737}, type = {Article}, abstract = {
The emergence of antibiotic-resistant strains of Mycobacterium tuberculosis and the decelerating development of new and effective antibiotics has impaired the treatment of tuberculosis (TB). Efflux pump inhibitors (EPIs) have the potential to improve the efficacy of existing anti-TB drugs although with toxicity limitations. Peptide nucleic acids (PNAs), oligonucleotide mimics, by virtue of their high nucleic acid binding specificity have the capability to overcome this drawback. We, therefore, investigated the efflux pump inhibitory properties of a PNA designed against an efflux pump of Mycobacterium smegmatis. LfrA, an efflux pump found in M. smegmatis, is majorly involved in conferring innate drug resistance to this strain and, therefore, was selected as a target for gene silencing via PNA. qRT-PCR and EtBr assays confirmed the EPI activity of the anti-lfrA PNA. On testing the effect of the anti-lfrA PNA on the bactericidal activity of a fluoroquinolone, norfloxacin, we observed that 5 mu M of anti-lfrA PNA in combination with norfloxacin led to an enhanced killing of up to 2.5 log-fold against wild-type and a lab-generated multidrug resistant strain, exemplifying its potential in countering resistance. Improved efficacy was also observed against intra-macrophage mycobacteria, where the drug-PNA combination enhanced bacterial clearance by 1.3 log-fold. Further, no toxicity was observed with PNA concentrations up to 4 times higher than the efficacious anti-lfrA PNA concentration. Thus, PNA, as an adjuvant, presents a novel and viable approach to rejuvenate anti-TB therapeutics.
}, keywords = {Adjuvant, Antibiotic resistance, Antisense, Efflux pump, Gene silencing, Mycobacteria, Peptide nucleic acid (PNA)}, issn = {0882-4010}, doi = {10.1016/j.micpath.2021.104737}, author = {Ghosh, Saptarshi and Cotta, Karishma Berta and Hande, Aniket A. and Fernandes, Moneesha and Mehra, Sarika} } @article {47376, title = {Polyaryletherketone in energy conversion and storage devices - a highly tailorable material with versatile properties}, journal = {Polymer International}, volume = {70}, year = {2021}, month = {AUG}, pages = {1026-1037}, type = {Review}, abstract = {
Polymers have been a highly useful class of material for the last few decades owing to their ease of bulk production and fabrication. With the myriad of applications in day to day life, they have also found an important role in energy conversion and storage devices, not just as a housing material of the device but with an important role in the energy conversion process. Among the several polymers used in this area, polyaryletherketones (PAEKs) are one of the most versatile materials owing to their easy tailorability. The ether and ketone groups can be introduced in the main polymer chain in several ways to achieve the desired material properties. The main role of a polymer in an energy conversion device is that of a barrier to avoid the mixing of reactants and to selectively transport ions from one electrode to the other to maintain charge neutrality. The polymer membrane finds application in various electrochemical energy conversion devices such as fuel cells, lithium ion batteries, redox flow batteries, supercapacitors etc. The main focus of this work is to briefly review the extent of development in the PAEKs in various energy conversion and storage devices. (c) 2021 Society of Industrial Chemistry.
}, keywords = {electrolyte membrane, energy conversion and storage, fuel cells, lithium ion batteries, redox flow batteries, separator}, issn = {0959-8103}, doi = {10.1002/pi.6233, Early Access Date = APR 2021}, author = {Feroze Gooty Saleha, Wasim and Nalajala, Naresh and Neergat, Manoj} } @article {47433, title = {Polycomb group methyltransferase StE(z)2 and deposition of H3K27me3 and H3K4me3 regulate the expression of tuberization genes in potato}, journal = {Journal of Experimental Botany}, volume = {72}, year = {2021}, month = {FEB }, pages = {426-444}, type = {Article}, abstract = {
Polycomb repressive complex (PRC) group proteins regulate various developmental processes in plants by repressing target genes via H3K27 trimethylation, and they function antagonistically with H3K4 trimethylation mediated by Trithorax group proteins. Tuberization in potato has been widely studied, but the role of histone modifications in this process is unknown. Recently, we showed that overexpression of StMSI1, a PRC2 member, alters the expression of tuberization genes in potato. As MSI1 lacks histone-modification activity, we hypothesized that this altered expression could be caused by another PRC2 member, StE(z)2, a potential H3K27 methyltransferase in potato. Here, we demonstrate that a short-day photoperiod influences StE(z)2 expression in the leaves and stolons. StE(z)2 overexpression alters plant architecture and reduces tuber yield, whereas its knockdown enhances yield. ChIP-sequencing using stolons induced by short-days indicated that several genes related to tuberization and phytohormones, such as StBEL5/11/29, StSWEET11B, StGA2OX1, and StPIN1 carry H3K4me3 or H3K27me3 marks and/or are StE(z)2 targets. Interestingly, we observed that another important tuberization gene, StSP6A, is targeted by StE(z)2 in leaves and that it has increased deposition of H3K27me3 under long-day (non-induced) conditions compared to short days. Overall, our results show that StE(z)2 and deposition of H3K27me3 and/or H3K4me3 marks might regulate the expression of key tuberization genes in potato.
}, keywords = {ChIP-sequencing, Epigenetics, PcG, photoperiod, polycomb repressive complex, potato tuberization, short-day, Solanum tuberosum, StE(z)2}, issn = {0022-0957}, doi = {10.1093/jxb/eraa468}, author = {Kumar, Amit and Kondhare, Kirtikumar R. and Malankar, Nilam N. and Banerjee, Anjan K.} } @inbook {47818, title = {Polymer graphene-based nanofibers and their application for batteries}, booktitle = {Electrospinning of Graphene}, year = {2021}, pages = {119-148}, abstract = {Polymer graphene-based nanofibers are increasingly used in energy storage devices, especially in lithium-ion batteries and thus attracting more and more industrial and academic research in material chemistry. Metal-doped graphene-based polymer nanofibers are now gaining much attention and recently are successfully used in related energy storage devices, including supercapacitors and more. This chapter primarily focuses on a brief of nanofibers, electrospinning and graphene followed by the review of polymer graphene-based nanofibers in the present scenario. }, isbn = {978-3-030-75455-6}, doi = {10.1007/978-3-030-75456-3_5}, author = {Mishra, Sasmita and Singh, Sandip and Singh, Ajeet} } @article {47378, title = {Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies}, journal = {CrystEngComm}, volume = {23}, year = {2021}, month = {JUN}, pages = {3961-3974}, type = {Article}, abstract = {
Erlotinib, a non-small cell lung cancer BCS class II drug, was found to occur as two polymorphs and two hydrates depending on the crystallization conditions. The monohydrate (form III), which has been reported in patents and publications, is the preferred crystalline phase from solution crystallization. The other forms (polymorphs, forms I and II, and a trihydrate, form IV) are solvent and condition-specific. Form I was exclusively and reproducibly obtained from dried non-polar solvents (viz. toluene, benzene, and xylene) using a solution crystallization method under controlled conditions. In contrast, form II was obtained by the rotary evaporation technique under reduced pressure from polar solvents (viz. dichloromethane, ethyl acetate, acetone, and acetonitrile). Slow evaporation from polar and non-polar solvents under open conditions yielded form III crystals, whereas evaporation from acetone-acetonitrile-water mixtures yielded form IV crystals. DSC and variable temperature PXRD studies revealed form I to be the most stable phase while the other solid forms displayed thermally induced polymorphic transitions into form I crystals. Further, form I and form III are found to be stable over the 30-90\% RH range. Further, form I displayed solution-mediated transformation into form III (monohydrate) when left to stand in the mother liquor for a longer duration (1-2 days). Similarly, the unstable form IV crystals transformed into the stable form III crystals within 1-2 h when exposed to an open atmosphere. Fast crystallization from polar solvents using the rotary evaporation technique enabled us to capture the metastable polymorph, form II. Early separation of form I from its mother liquor prevented its solution-mediated transformation into the monohydrate, form III. The water activity study revealed that form III is the most preferred solid phase in the presence of water. Dissolution rate measurements showed that the rate of form II is almost comparable to that of the marketed erlotinib hydrochloride. In contrast, for the other forms, the dissolution profiles showed a considerable decrease. Although the crystal structures of form I and form III have been published previously, this manuscript gives a comprehensive overview of the free base solid forms of erlotinib, the phase transitions amongst them and their biopharmaceutical properties.
}, doi = {10.1039/d1ce00032b, Early Access Date = APR 2021}, author = {Thorat, Shridhar H. and George, Christy P. and Shaligram, Parth S. and Suresha, P. R. and Gonnade, Rajesh G.} } @article {47748, title = {Possible electron doping of geometrically perfect spin-1/2 kagome-lattice barlowite by reduced graphene oxide}, journal = {Physical Review B}, volume = {104}, year = {2021}, month = {SEP }, pages = {L100418}, type = {Letter}, abstract = {Doping of quantum spin liquid (QSL) insulators by electron or hole leads to intriguing phase transitions to metallic and superconducting states. The barlowite family with geometrically perfect S = 1/2 kagome planes and tunable interkagome coupling is an emerging platform to realize spin-ordered, valence bond crystal, QSL states. Theoretical investigations on electron doping revealed localized states in the band gap of barlowite unlike metallicity in cuprate (Nd2CuO4). We present successful anchoring of phase-pure barlowite crystallites onto reduced graphene oxide (rGO). The resulting barlowite-rGO system was found to be an electrical semiconductor with Arrhenius activation energy of 0.07 eV. Semiconducting properties of the barlowite-rGO system were further modulated with retention of structural integrity. We have attributed such a transformation of electrical transport response to plausible electron doping thereby making charge-doping experiments on barlowite and its analogs propitious.}, issn = {2469-9950}, doi = {10.1103/PhysRevB.104.L100418}, author = {Gupta, Kriti and Ninawe, Pranay and Jain, Anil and Dadwal, Arun and Anas, M. and Malik, V. K. and Yusuf, S. M. and Joy, Pattayil A. and Ballav, Nirmalya} } @article {47819, title = {Practical synthesis of 5-hydroxy-2(5H)-furanone from furan}, journal = {Results in Chemistry}, volume = {3}, year = {2021}, month = {JAN}, pages = {100170}, type = {Article}, abstract = {A simple, efficient and scalable method for the synthesis of 5-hydroxy-2(5H)-furanone from furan has been developed on a multigram scale. Oxidation of furan has been performed using oxone as the sole oxidant and water as a solvent, which makes this protocol practical and thus industrially applicable.}, keywords = {5-Hydroxy-2(5)-furanone, Furan oxidation, On-water reaction, Oxone, scalable synthesis}, issn = {2211-7156}, doi = {10.1016/j.rechem.2021.100170}, author = {Subhash P. Chavan and Appasaheb L. Kadam} } @article {47606, title = {Priestia veravalensis sp. nov., isolated from coastal sample}, journal = {Archives of Microbiology}, volume = {203}, year = {2021}, month = {OCT}, pages = {4839-4845}, type = {Article}, abstract = {The taxonomic position of two isolates, SGD-V-76(T) and SGD-M-37, isolated from sediment sample of Veraval coast, India, was examined using the polyphasic taxonomic approach. The morphological and chemotaxonomic characteristics of these two organisms are typical of the genus Priestia. The phylogenetic analyses performed using almost complete 16S rRNA gene sequences demonstrated that the isolate belongs to the Bacillaceae family, and forms a clade within the cluster containing Priestia flexus MTCC 2909(T), Priestia aryabhattai B8W22(T) and Priestia megaterium KCTC 3007(T) and both strains showed highest similarity of > 98\% with 3-29 nucleotide differences. The cell wall contained meso-diaminopimelic acid as the diagnostic diamino acid. The predominant isoprenoid quinone was MK-7 and the G + C content of strains was 37.5-37.7 mol\%. However, the DNA-DNA hybridization and the phenotypic characteristics revealed that, the strain SGD-V-76(T) and strain SGD-M-37 are similar species but different from any known Priestia species with ANI values of 79.2, 79.3 and 79.2 and the dDDH values of 17.7, 17.8 and 18.0\% respectively. On the basis of phenotypic characteristics, phylogenetic analysis and the results of biochemical and physiological tests, and genomic data strain SGD-V-76(T) was clearly distinguished from closely related members of the Priestia genus. Based on the above data analysis strain SGD-V-76(T) (= DSM28242(T) = KCTC33802(T) = CIP111056(T) = NCIM5510(T)) represents a novel species of the genus Priestia, and we propose the name Priestia veravalensis sp. nov.}, keywords = {Coastal sediment, genome, Priestia, Veraval}, issn = {0302-8933}, doi = {10.1007/s00203-021-02418-z}, author = {Wagh, Vasudev S. and Ram, Hari and Dastager, Syed G.} } @article {47134, title = {Probiotics in the prophylaxis of COVID-19: something is better than nothing}, journal = {3 Biotech}, volume = {11}, year = {2021}, month = {JAN}, type = {Review}, abstract = {
The new viral pandemic of COVID-19 is caused by a novel coronavirus (SARS-CoV-2) that has brought the world at another unprecedented crisis in terms of health and economy. The lack of specific therapeutics necessitates other strategies to prevent the spread of infection caused by this previously unknown viral etiological agent. Recent pieces of evidence have shown an association between COVID-19 disease and intestinal dysbiosis. Probiotics comprise living microbes that upon oral administration benefit human health by reshaping the composition of gut microbiota. The close kinship of the gastrointestinal and respiratory tract suggests why the dysfunction of one may incite illness in others. The emerging studies suggest the capability of probiotics to regulate immune responses in the respiratory system. The efficacy of probiotics has been studied previously on several respiratory tract viral infections. Therefore, the purpose of this review is to comprehend existing information on the gut mediated-pulmonary immunity conferred by probiotic bacteria, in the course of respiratory virus infections and administration as a prophylactic measure in COVID-19 pandemic in managing intestinal dysbiosis as well.
}, keywords = {Anti-viral, COVID-19, Gut-lung axis, Probiotics, Respiratory tract infection}, issn = {2190-572X}, doi = {10.1007/s13205-020-02554-1}, author = {Gohil, Kushal and Samson, Rachel and Dastager, Syed and Dharne, Mahesh} } @article {47360, title = {Process-induced microstructure in viscose and lyocell regenerated cellulose fibers revealed by SAXS and SEM of acid-etched samples}, journal = {ACS Applied Polymer Materials}, volume = {3}, year = {2021}, month = {MAY }, pages = {2598-2607}, type = {Article}, abstract = {
Regenerated cellulose fibers represent an important class of bioderived commercial fibers. The traditional viscose process requires the use of environmentally harmful carbon disulfide solvent to produce fibers. Lyocell fibers, produced using a more sustainable recent process, exhibit differences in properties from viscose. These differences arise from their semicrystalline microstructure, formed during fiber spinning. It is widely believed that regenerated cellulose fibers predominantly form fringed fibrillar crystals. We optimize acid etching, followed by SEM as an experimental tool to visualize this fibrillar structure. Acid etching provides sufficient topological contrast to directly visualize similar to O(10 nm) fibrils using field-emission scanning electron microscopy (SEM). We combine SEM with small-angle X-ray scattering (SAXS) to reveal other microstructural details. We observe a Bragg peak, indicating the coexistence of stacked lamellar structure with crystalline fibrils for viscose fibers, but not for lyocell. Viscose and lyocell fibers are characterized by partially oriented semicrystalline microstructure. We present a methodology to calculate the Lorentz correction for such microstructure and employ this to analyze the lamellar scattering from viscose fibers using a 1D correlation function approach. We characterize the lamellar microstructure after swelling viscose fibers with water and observe expansion of the Bragg spacing due to water absorption in the amorphous regions. Our data suggest that the water-induced plasticization of amorphous regions is inhomogeneous. Lamellar stacks that are more misoriented from the fiber direction exhibit lower swelling than those along the fiber direction. The experimental methods described in this work reveal interesting details of semicrystalline microstructure in regenerated cellulose fibers, with important implications for the mechanical response of dry and wet fibers. The methods developed here might find use in investigations of other polymer fibers as well.
}, keywords = {acid etching, crystalline lamellae, fibers, fibrils, Lorentz correction, Regenerated cellulose, SAXS}, issn = {2637-6105}, doi = {10.1021/acsapm.1c00204}, author = {Sharma, Aakash and Wankhede, Parnashri and Samant, Roopali and Nagarkar, Shailesh and Thakre, Shirish and Kumaraswamy, Guruswamy} } @article {47682, title = {Prominence of Cu in a plasmonic Cu-Ag alloy decorated SiO2@S-doped C3N4 core-shell nanostructured photocatalyst towards enhanced visible light activity}, journal = {Nanoscale Advances}, volume = {4}, year = {2021}, month = {DEC}, pages = {150-162}, type = {Article}, abstract = {A series of Cu-Ag bimetal alloys decorated on SiO2 and the fabrication of few-layer S-doped graphitic carbon nitride (SC) warped over it to form a core-shell nanostructured morphology have been demonstrated and well characterized through various physiochemical techniques. HRTEM data confirmed the formation of a compact nanojunction between the SiO2 and SC, where Cu-Ag is embedded uniformly with an average particle size of 1.3 nm. The Ag : Cu (1 : 3) between SiO2 and SC produces 1730 mu mol h(-1) g(-1) of H-2 under visible light illumination. Moreover, 6.2-fold current enhancement in the case of Ag : Cu (1 : 3) as compared to the Ag-loaded core-shell nanostructured photocatalyst indicates higher electron-hole-pair separation. The excellent activity was due to the synergistic alloying and plasmonic effect of Ag and Cu. DFT studies reveal that the Cu atom in the Cu-Ag bimetal alloy plays a pivotal role in the generation of H-2, and the reaction proceeds via a 4-membered transition state. The mechanistic insight proceeds from the generation of hot electrons due to the LSPR effect and their transfer to the SC layer via a compact nanojunction.}, issn = {2516-0230}, doi = {10.1039/d1na00633a}, author = {Babu, Pradeepta and Dash, Soumya Ranjan and Behera, Arjun and Vijayaraghavan, T. and Ashok, Anuradha and Parida, Kulamani} } @article {47094, title = {Promoted mesoporous Fe-alumina catalysts for the non-oxidative dehydrogenation of isobutane}, journal = {Catalysis Communications}, volume = {150}, year = {2021}, month = {FEB}, pages = {106263}, type = {Article}, abstract = {
Production of isobutene is commercially consequential and highly demanding from the end-use industries being a key platform molecule as well as an intermediate for a variety of value-added chemicals. Traditionally, isobutene is prepared via steam cracking and fluid catalytic cracking methods. However, the catalysts used in these conventional methods have disadvantages like coke formation, sintering, etc. In this study, the catalytic non-oxidative dehydrogenation of isobutane over acidic, alkaline, and noble metal promoted mesoporous iron-doped catalysts was investigated. Iron doping has a significant function in controlling isobutene selectivity. The synthesis method is crucial to achieve successful metal doping in the mesoporous alumina matrix. Promoted catalysts exhibited a notable difference in isobutane conversion with a marginal change in dehydrogenation selectivity. Silver promoted catalyst showed slightly higher isobutene yield due to the optimal catalytic properties. This catalyst was stable for a considerable duration, and coke deposition, as well as particle agglomeration, were observed to faintly inhibit the catalytic activity.
}, keywords = {iron, Isobutane, Isobutene, Mesoporous alumina, Non-oxidative dehydrogenation}, issn = {1566-7367}, doi = {10.1016/j.catcom.2020.106263}, author = {Venugopalan, Aswathy Thareparambil and Kandasamy, Prabu and Gupta, Nikitra Nihalchand and Thirumalaiswamy, Raja} } @article {47663, title = {Protonation-deprotonation switch controls the amyloid-like misfolding of nucleic-acid-binding domains of TDP-43}, journal = {Journal of Physical Chemistry B}, volume = {125}, year = {2021}, month = {AUG }, pages = {8383-8394}, type = {Article}, abstract = {Nutrient starvation stress acidifies the cytosol and leads to the formation of large protein assemblies and misfolded aggregates. However, how starvation stress is sensed at the molecular level and leads to protein misfolding is poorly understood. TDP-43 is a vital protein, which, under stress-like conditions, associates with stress granule proteins via its functional nucleic-acid-binding domains (TDP-43(t)(RRM)) and misfolds to form aberrant aggregates. Here, we show that the monomeric N form of TDP-43(t)(RRM) forms a misfolded amyloid-like protein assembly, beta form, in a pH-dependent manner and identified the critical protein side-chain residue whose protonation triggers its misfolding. We systematically mutated the three buried ionizable residues, D105, H166, and H256, to neutral amino acids to block the pH-dependent protonation-deprotonation titration of their side chain and studied their effect on the N-to-beta transition. We observed that D105A and H2S6Q resembled TDP-43(t)(RRM) in their pH-dependent misfolding behavior. However, H166Q retains the N-like secondary structure under low-pH conditions and does not show pH-dependent misfolding to the beta form. These results indicate that H166 is the critical side-chain residue whose protonation triggers the misfolding of TDP-43(t)(RRM) and shed light on how stress-induced misfolding of proteins during neurodegeneration could begin from site-specific triggers.}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c03262}, author = {Patni, Divya and Jha, Santosh Kumar} } @article {47050, title = {Protriptyline improves spatial memory and reduces oxidative damage by regulating NF kappa B-BDNF/CREB signaling axis in streptozotocin-induced rat model of Alzheimer{\textquoteright}s disease}, journal = {Brain Research}, volume = {1754}, year = {2021}, month = {MAR }, pages = {147261}, type = {Article}, abstract = {
Antidepressants are well known to exert their role via upregulation of brain derived neurotrophic factor (BDNF). BDNF has been reported to exerts its neuroprotective effect in rodent and primate models as well as in patients of Alzheimer{\textquoteright}s disease (AD). The aim of our study was to evaluate the effect of protriptyline (PRT), a tricyclic antidepressant, in streptozotocin (STZ)- induced rat model of AD. Total 10 mu l of STZ was injected into each ventricle (1 mg/kg). PRT (10 mg/kg, i.p.) treatment was started 3-day post STZ administration and continued till 21 days. We found that STZ treatment significantly increased pTau, A beta 42 and BACE-1 expression, oxidative stress and neurodegeneration in hippocampus and cortex of adult rats. STZ induced impairment in spatial learning and retention memory was associated with increased WO and reduced CREB and BDNF expression in cortex and hippocampus. Interestingly, PRT treatment significantly reduced pTau, A beta 42 and BACE-1 levels, neurodegeneration, oxidative stress and glial activation, contributing to the improved spatial learning and retention memory in STZ treated rats. Moreover, PRT treatment significantly improved p-ERK/ERK ratio and enhanced BDNF and CREB levels by reducing NFXB and GFAP expression in STZ treated rats. Our data suggest that impaired NFXB and CREB signaling potentially contribute in AD pathogenesis by elevating oxidative stress and neuroinflammation mediated neurodegeneration. Our study has established protriptyline as a multi target molecule in pre-clinical model of AD and further investigations on PRT like molecules could pave way for further development of effective new treatments in neurodegenerative disorders.
}, keywords = {Alzheimer{\textquoteright}s disease, antidepressant, BDNF, Memory, Oxidative stress, Protriptyline}, issn = {0006-8993}, doi = {10.1016/j.brainres.2020.147261}, author = {Tiwari, Virendra and Mishra, Akanksha and Singh, Sonu and Mishra, Sandeep Kumar and Sahu, Kiran Kumari and Parul and Kulkarni, Mahesh J. and Shukla, Rakesh and Shukla, Shubha} } @article {47655, title = {Pyridylpyrrolido ligand in Ge(II) and Sn(II) chemistry: synthesis, reactivity and catalytic application}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {NOV}, pages = {16678-16684}, type = {Article}, abstract = {In our previous communication, we have reported the synthesis of a new chlorogermylene (B) featuring a pyridylpyrrolido ligand. This study details the preparation of a series of new germylenes and stannylenes starting from B. A transmetallation reaction between B and SnCl2 led to the analogous chlorostannylene (1) with the simultaneous elimination of GeCl2. This is a very unusual example of transmetallation between two elements of the same group. The preparation of 1via lithiation led to the formation of 2 as a side product, where the ortho C-H bond of the pyridine ring was activated and functionalized with a Bu-n moiety. Subsequently, B and 1 were used as precursors to generate germylene (4) and stannylene (5) featuring tris(trimethylsilyl)silyl (hypersilyl) moieties. We also prepared tetrafluoropyridyl germylene (6) by reacting 4 with C5F5N with the simultaneous elimination of (Me3Si)(3)SiF by utilizing the fluoride affinity of the silicon atom. As there is scarcity of Sn(II) compounds as single-site catalysts, we investigated 5 as a catalyst towards the hydroboration of aldehydes, ketones, alkenes and alkynes. All the compounds have been characterized by single-crystal X-ray diffraction and by state of the art spectroscopic studies.}, issn = {1477-9226}, doi = {10.1039/d1dt03136h}, author = {Pahar, Sanjukta and Sharma, Vishal and Tothadi, Srinu and Sen, Sakya S.} } @article {47348, title = {Quantitative understanding of nucleation and growth kinetics of silver nanowires}, journal = {Chemical Engineering Journal}, volume = {414}, year = {2021}, month = {JUN}, pages = {128711}, type = {Article}, abstract = {
We have demonstrated that using polyol synthesis, it is possible to prepare high aspect ratio silver nanowires by controlling the experiments for process related issues which are usually ignored, viz. the overhead space in the batch reactor. It is found that by controlling the presence/absence of NOx gases with refluxing of nitric acid in the batch reactor with an overhead space of 80\% volume, near complete conversion (-99\%) of high aspect ratio NWs (-1000) can be attained. We provide a detailed understanding of other factors assisting in rapid polyol synthesis like temperature, stirring rate, Chloride ion concentration, optimal PVP weight ratios and PVP/AgNO3 ratio that can lead to high aspect ratio NWs. Besides the process parameters and reagent concentration effects, kinetic studies based on our nucleation and R-C Model evaluate the overall reaction rate constants for silver nanowires and the JMAK approach is used to theoretically validate our experimental results of the reactor headspace having strongest effect on the aspect ratios. Our study highlights the importance of various complications in the polyol synthesis, through detailed kinetic modelling and affixes values of temperature, reactor headspace, stirring rate and residence time in order to achieve reproducible synthesis of nanowires with complete conversion along with a method to separate these nanowires.
}, keywords = {Conducting inks, growth, Nucleation, Reaction kinetics, Redox-crystallization, Silver Nanowires}, issn = {1385-8947}, doi = {10.1016/j.cej.2021.128711}, author = {Patil, Suneha and Kate, Prachi R. and Deshpande, Jaydeep B. and Kulkarni, Amol A.} } @article {47426, title = {Raman spectroscopy-based sensitive, fast and reversible vapour phase detection of explosives adsorbed on metal-organic frameworks UiO-67}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {APR}, pages = {7145-7153}, type = {Article}, abstract = {
In this work, we report highly sensitive, selective, rapid, and reversible detection of explosive molecules in the vapour phase, adsorbed on metal-organic frameworks (MOFs) under ambient laboratory conditions. The sensing is based on the quenching of the Raman intensity of a zirconium-based MOF, Zr6O4(OH)(4)(dcppy)(6) (MOF 1, UiO-67-dcppy; dcppy is 2-phenylpyridine-5,4{\textquoteright}-dicarboxylate), where 50\% of the signal quenches swiftly within similar to 5 s of its exposure to trinitrophenol (TNP) vapours, while 90\% of the Raman signal was quenched in 30 s. The high surface area of porous MOFs provides increased adsorption of various nitro analytes. The quenching of Raman peaks resulted from the pi-pi interactions of the analytes with the benzene ring of the MOF. The sensors have also been proven to be reversible and stable by mild heat treatment (80 degrees C for 5 min). These notable results using Raman spectroscopy point to a new and important approach towards explosive sensing using metal-organic frameworks considering their vast versatility. This work emphasizes the importance of a non-invasive and non-destructive technique that can be used to develop handheld vapour phase explosive detectors.
}, issn = {1144-0546}, doi = {10.1039/d0nj04915h, Early Access Date = MAR 2021}, author = {Sen Bishwas, Mousumi and Malik, Monika and Poddar, Pankaj} } @article {47346, title = {Rapid and accurate nucleobase detection using FnCas9 and its application in COVID-19 diagnosis}, journal = {Biosensors \& Bioelectronics}, volume = {183}, year = {2021}, month = {JUL }, pages = {113207}, type = {Article}, abstract = {
Rapid detection of DNA/RNA pathogenic sequences or variants through point-of-care diagnostics is valuable for accelerated clinical prognosis, as witnessed during the recent COVID-19 outbreak. Traditional methods relying on qPCR or sequencing are tough to implement with limited resources, necessitating the development of accurate and robust alternative strategies. Here, we report FnCas9 Editor Linked Uniform Detection Assay (FELUDA) that utilizes a direct Cas9 based enzymatic readout for detecting nucleobase and nucleotide sequences without transcleavage of reporter molecules. We also demonstrate that FELUDA is 100\% accurate in detecting single nucleotide variants (SNVs), including heterozygous carriers, and present a simple web-tool JATAYU to aid end-users. FELUDA is semi-quantitative, can adapt to multiple signal detection platforms, and deploy for versatile applications such as molecular diagnosis during infectious disease outbreaks like COVID-19. Employing a lateral flow readout, FELUDA shows 100\% sensitivity and 97\% specificity across all ranges of viral loads in clinical samples within 1hr. In combination with RT-RPA and a smartphone application True Outcome Predicted via Strip Evaluation (TOPSE), we present a prototype for FELUDA for CoV-2 detection closer to home.
}, keywords = {CRISPRDx, FELUDA, FnCas9, LFA, SARS-CoV2, SNV detection}, issn = {0956-5663}, doi = {10.1016/j.bios.2021.113207}, author = {Azhar, Mohd and Phutela, Rhythm and Kumar, Manoj and Ansari, Asgar Hussain and Rauthan, Riya and Gulati, Sneha and Sharma, Namrata and Sinha, Dipanjali and Sharma, Saumya and Singh, Sunaina and Acharya, Sundaram and Sarkar, Sajal and Paul, Deepanjan and Kathpalia, Poorti and Aich, Meghali and Sehgal, Paras and Ranjan, Gyan and Bhoyar, Rahul C. and Singhal, Khushboo and Lad, Harsha and Patra, Pradeep Kumar and Makharia, Govind and Chandak, Giriraj Ratan and Pesala, Bala and Chakraborty, Debojyoti and Maiti, Souvik and Indian CoV2 Genomics Genetic Epide} } @article {47401, title = {Rapid identification and tracking of SARS-CoV-2 variants of concern}, journal = {Lancet}, volume = {397}, year = {2021}, month = {APR}, pages = {1346-1347}, type = {Letter}, issn = {0140-6736}, doi = {10.1016/S0140-6736(21)00470-0}, author = {Chakraborty, Debojyoti and Agrawal, Anurag and Maiti, Souvik} } @article {47702, title = {Rationally designed, efficient, and earth-abundant Ni-Fe cocatalysts for solar hydrogen generation}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {9}, year = {2021}, month = {OCT }, pages = {13915-13925}, type = {Article}, abstract = {Developing highly efficient and affordable catalysts for solar hydrogen (H-2) generation is crucial, and employing a cocatalyst from earth-abundant elements has a critical role to play. In this context, different compositions of earth-abundant Ni-Fe alloy (1:1, 1:3, and 3:1) have been prepared by hydrothermal method; subsequently, 1 wt \% of these Ni-Fe cocatalysts were integrated with TiO2-P25 and thoroughly characterized. The resultant catalysts have been evaluated for solar H-2 production, in powder and thin film forms, under one sun condition and in direct sunlight. Interestingly, all the catalysts in the thin film form exhibit superior hydrogen yield (HY), up to 27 times higher activity than its powder counterpart. Among the photocatalysts, Ni-Fe/TiO2 (3:1 = Ni/Fe; NFT31) composition exhibits the best HY in thin film (8.27 mmol.h(-1).g(-1)) and exceeds all other compositions of catalyst. It is also to be reported that HY measured for the powder form with 1 mg shows 3-17 times higher activity than that measured with 25 mg. This is mainly attributed to effective solar light absorption with a smaller amount of photocatalyst either spread over large area in a thin film form or well-dispersed in suspension forms. Furthermore, the enhanced activity obtained with Ni-Fe/TiO2 photocatalysts is also ascribed to strong electronic integration of Ni-Fe cocatalyst with TiO2 and higher performance obtained with a thin film is attributed to increased charge carrier generation and subsequent charge separation and effective utilization. A decrease in work function of TiO2 by 0.6 eV was observed after its integration with cocatalyst in NFT31.}, keywords = {Cocatalyst, Hydrogen, Ni-Fe alloy, solar energy, TiO2, water splitting}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c05158}, author = {Tudu, Bijoy and Nalajala, Naresh and Reddy, Kasala Prabhakar and Saikia, Pranjal and Gopinath, Chinnakonda S.} } @article {47464, title = {Reactions of 2,3-dibromonaphthalene-1,4-dione and pyridyl amines: X-ray structures, DFT investigations, and selective detection of the Hg2+ and Ni2+ ions}, journal = {Engineered Science}, volume = {14}, year = {2021}, month = {FEB}, pages = {78-93}, type = {Article}, abstract = {
In this work, the products formed by the reaction between 2,3-dibromonaphthalene-1,4-dione with (pyridine-2-yl)methanamine and (pyridine-4-yl)methanamine are discussed in detial. The products 2-amino-3-bromonaphthalene-1,4-dione (A) and 2-aminonaphthalene-1,4-dione (B(1)) obtained are characterized through\ 1H and\ 13C-NMR, FTIR, mass spectrometry, single-crystal X-ray diffraction experiments, which are in conjunction with wB97X based density functional theory.\ compound\ A\ can effectively and selectively detect Hg2+\ and Ni2+\ ions, and proposes a potential mechanism of action.
}, issn = {2576-9898}, doi = {10.30919/es8d427}, author = {Aggrwal, Gunjan and Salunke-Gawali, Sunita and Gejji, Shridhar P. and Nikalje, Milind and Chakravarty, Debamitra and Verma, Prakash L. and Gosavi-Mirkute, Prajkta and Harihar, Shital and Jadhav , Mahesh and Puranik, Vedavati G.} } @article {47647, title = {Reactivities of silaimines with boranes: from cooperative B-H bond activation to donor stabilized silyl cation}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {JUL}, pages = {2133-2138}, type = {Article}, abstract = {The recently published silylene with a tris(trimethylsilyl) group, PhC(NtBu)(2)SiSi(SiMe3)(3) (1), was reacted with the organic azides such as SiMe3N3 and AdN(3) to form the respective hypersilylsilaimines, PhC(NtBu)(2)Si(=NR)Si(SiMe3)(3) 2 (R = SiMe3) and 3 (R = Ad). The B-H bond of HBpin or HBcat was split across the Si=N bond upon reaction with 2, which generated 4 and 5, respectively. However, we could not obtain the crystals of 4 and 5 appropriate for X-ray diffraction. Subsequently, we performed the analogous reactions with a related silaimine PhC(NtBu)(2)Si(=NSiMe3)N(SiMe3) 2 (2{\textquoteright}) and isolated similar B-H bond activated products 6 and 7. The reaction of 2{\textquoteright} with HBCl2 resulted in donor stabilized silyl cations (8 and 9) supported by an amidinate ligand.}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00273}, author = {Bisai, Milan Kumar and Sharma, Vishal and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {48256, title = {Reactivity, bonding and structural elucidation of pendant methyl-pyridinato beta-diketiminate ligand moiety}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {77}, year = {2021}, month = {AUG}, pages = {C938}, type = {Meeting Abstract}, keywords = {Flexibility of beta-diketiminate ligand, six-membered dialane heterocycle: an analogue of cyclohexane, structural diversity, Transmetallation among two p-block elements}, issn = {2053-2733}, author = {Pahar, S. and Sen, S. S.} } @article {47618, title = {Reactivity of (TMS)(2)N(eta(1)-Cp*)Si=Si(eta(1)-Cp*)N(TMS)(2) toward the Halides of Groups 13-15}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {JUN }, pages = {1874-1883}, type = {Article}, abstract = {In this paper, we have demonstrated the unique reactivity of a previously reported disilene [(TMS)(2)N(eta(1)-Me5C5)Si=Si(eta(1)-Me5C5)N(TMS)(2)] (1) with the halides of groups 13-15, which resulted in the formation of silicon-E (E = B, Al, Ge, P) bonds. Treatment of 1 with Lewis acidic BCl3 led to the formation of a cationic boron species [Cp*BSi(Cl)(2)N(TMS)(2))][BCl3SiCl3] (2). In contrast, the reaction of 1 with BCy2Cl afforded an oxidative addition product [(TMS)(2)N(eta(1)-Me5C5)Si(BCy2)(Cl)] (3) via the insertion of a Si(II) atom into the B-Cl bond. Extending the reaction with its higher congener led to classical Lewis acid-base adducts, (TMS)(2)N(eta(1)-Me5C5)Si -> AlCl3 (4) and (TMS)(2)N(eta(1)-Me5C5)Si -> AlBr3 (5), respectively. The reaction of GeCl2 with 1 proceeded in a completely different manner and resulted in a hybrid dendrimeric compound [HGe(Si(Cl)(2)N(TMS)(2))(3)] (6), whereas, with SnCl2, it led to Cp*SnCl (7). Lastly, the reaction of Ph2PCl followed the same pattern like Cy2BCl and led to the formation of an oxidative addition product [(TMS)(2)N(eta(1)-Me5C5)Si(PPh2)(Cl)] (9) with a Si-P bond.}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00203}, author = {Sen, Nilanjana and Parvin, Nasrina and Tothadi, Srinu and Khan, Shabana} } @article {47621, title = {Readily available lithium compounds as catalysts for the hydroboration of carbodiimides and esters}, journal = {Journal of Organometallic Chemistry}, volume = {949}, year = {2021}, month = {SEP 15}, pages = {121924}, type = {Article}, abstract = {Selective and efficient hydroboration of esters and carbodiimides to alcohols and amines by two welldefined and readily accessible lithium complexes, 2,6-di-tert-butyl phenolate lithium (1a ) and 1,1{\textquoteright}-dilithioferrocene (1b ) are described. A range of aliphatic, aromatic, and cyclic esters with various functional groups were selectively converted into the corresponding boronate esters. Similarly, the single hydroboration of carbodiimides with aliphatic and aromatic substituents on the nitrogen atoms was studied. A possible mechanistic pathway of the hydroboration of carbodiimides with HBpin has been proposed using NMR studies and DFT calculations. These reactions are convenient alternatives to stoichiometric hydride reduction or hydrogenation. The employing of lithium complexes is also significant, because of the need to find cheap and green alternatives to noble metal complexes. (C) 2021 Elsevier B.V. All rights reserved.}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2021.121924}, author = {Bisai, Milan Kumar and Gour, Kritika and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47821, title = {Recent advances in liquid organic hydrogen carriers: an alcohol-based hydrogen economy}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {NOV}, pages = {14712-14726}, type = {Article}, abstract = {Energy storage and the use of abundantly available feedstock without contributing to the carbon footprint are two significant global challenges. In this regard, the development of high-performance, low-cost, sustainable, and environmentally friendly energy storage and production systems is crucial to fulfill the growing energy demands of the current society. The use of hydrogen will diversify energy sources as it significantly reduces greenhouse gas emissions and environmental pollution during energy conversion. Although the hydrogen economy is quite beneficial, hydrogen storage is still very challenging, and the existing methods suffer from a lot of problems and drawbacks. The conventional liquefaction and compression hydrogen storage technologies are associated with several challenges, including low storage density, boil-off losses, relatively high costs, and safety and transportation concerns. In recent years, liquid organic hydrogen carrier (LOHC) systems have attained a lot of importance as a substitute for the traditional storage methods. Hydrogen storage and transport using LOHCs are based on two-step cycles, such as (i) loading/storage of hydrogen by catalytic hydrogenation of H2-lean compounds and (ii) unloading/releasing hydrogen by dehydrogenating the resulting H2-rich liquids. Since alcohols are widely accessible from various industrial processes or even from biomass-derived precursors, the catalytic acceptorless dehydrogenation of alcohols is an attractive approach for future hydrogen storage applications. Hence, the catalytic dehydrogenation-hydrogenation of alcohols can be used for the development of alcohol-based LOHC systems which are economical, safe, and easy to handle. Further, they are similar to crude oils under ambient conditions and thus are suitable for use in the current energy infrastructure. This Review covers several essential aspects of these developing efficient and abundantly available LOHC systems for efficient hydrogen storage and transport applications. Additionally, reversible LOHC systems based on the catalytic dehydrogenation-hydrogenation of alcohols and their corresponding carbonyl compounds have been discussed.}, doi = {10.1021/acscatal.1c03283}, url = {https://doi.org/10.1021/acscatal.1c03283}, author = {Yadav, Vinita and Sivakumar, Ganesan and Gupta, Virendrakumar and Balaraman, Ekambaram} } @article {47498, title = {Red fluorescent ultra-small gold nanoclusters functionalized with signal molecules to probe specificity in quorum sensing receptors in gram-negative bacteria}, journal = {Archives of Microbiology}, year = {2021}, month = {JUN}, type = {Article; Early Access}, abstract = {Ultra-small (size < 2 nm) gold nanoclusters (AuNCs) are used as fluorescent probes which have excellent applications in bioimaging and sensing due to their emission in visible and NIR spectral region. Here, this property is exploited for understanding the quorum sensing phenomenon in bacteria which is regulated by signal molecules which are specific to various species. AuNCs are then functionalized with the signal molecules, Acyl Homoserine Lactones (AHL) of varying carbon chain length, C-6, C-8, and C-12 without 3rd C modification, to sense different strains of gram-negative bacteria i.e., Escherichia coli, Cronobacter sakazakii and Pseudomonas aeruginosa. In the concentration employed, selectivity to a limited extent is observed between the three Gram-negative bacteria tested. E. coli showed emission with all the AHL conjugates and P. aeruginosa did not interact with any of the three conjugates, whereas C. sakazakii showed specificity to C-8AHL. This is probably due to selectivity for cognate AHL molecules of appropriate concentrations.}, keywords = {acyl homoserine lactone, fluorescence imaging, Gold nanoclusters, quorum sensing, Receptors, selectivity}, issn = {0302-8933}, doi = {10.1007/s00203-021-02338-y, Early Access Date = JUN 2021}, author = {Chahande, Anurag M. and Lathigara, Disha and Prabhune, Asmita A. and Devi, R. Nandini} } @article {47637, title = {Reduction of hydroxyl traps and improved coupling for efficient and stable quantum dot solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {13}, year = {2021}, month = {OCT }, pages = {46549-46557}, type = {Article}, abstract = {Progress in quantum dot (QD)-based solar cells has been underpinned by the improvements in surface passivation and advancements in device engineering. Acute control over the surface properties is crucial to restrict the formation of in-gap trap states and improve the QD coupling in achieving conducting QD films. In this report, we demonstrate a solution-phase hybrid passivation strategy, which is beneficial in removing detrimental hydroxyl traps and improving the coupling between QDs by reducing the interdot distance. Advancement in surface passivation is translated to the long carrier lifetime, higher carrier mobility, and superior protection toward degradations in QD solids. The performance of solar cell devices is increased by 26\% to reach an efficiency of 10.6\%, compared to the state-of-the-art lead halide passivated solar cells. The improvement in solar cell performance is supported by the reduction of trap states and an 80 nm increase in thickness of the light-absorbing QD layer.}, keywords = {ligand, mobility, quantum dot, solar cell, surface passivation}, issn = {1944-8244}, doi = {10.1021/acsami.1c11214}, author = {Mandal, Debranjan and Dambhare, V. Neha and Rath, Arup K.} } @article {47361, title = {Refining plant oils and sugars to platform chemicals, monomers, and polymers}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {MAY}, pages = {4255-4295}, type = {Review}, abstract = {
As fossil resources continue to dwindle and environmental concerns are magnified, finding sustainable alternatives is the only way to mitigate resource availability and derisk the planet. The principles of Green Chemistry may provide guidance in this case, and renewable resources can be converted into useful platform chemicals, monomers, and polymers. This critical review examines the possibility of utilizing renewable plant oils and sugars to produce feedstock chemicals, monomers, and polymers. Among the seven isomerizing functionalization reactions of plant oils, isomerizing alkoxycarbonylation displays the highest terminal selectivity. Despite the low reactivity of sugar-derived isohexides, new strategies have been deployed to convert isohexides into difunctional monomers and polymers. The commercialization of isohexides and a few polymers derived from these building blocks has just commenced. Thus, challenges associated with isomerizing functionalization of plant oils and the use of sugar-derived isohexides in chemical syntheses have been summarized, and the potential of these renewable resources has been evaluated.
}, issn = {1463-9262}, doi = {10.1039/d1gc00955a, Early Access Date = MAY 2021}, author = {Pandey, Swechchha and Rajput, Bhausaheb S. and Chikkali, Samir H.} } @article {47612, title = {Replacement of loop residues in TBA by an abasic ethylene glycol spacer: effect on stability, structure and function**}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {OCT }, pages = {10648-10650}, type = {Article}, abstract = {This article describes the synthesis of ethyleneglycol (E) phosphoramidite and its incorporation into the thrombin binding aptamer (TBA) sequence at loop positions. Circular dichroism (CD) study revealed no major disturbances in the secondary structure of TBA by the abasic E unit and the derived oligomers exhibited a typical antiparallel chair-like conformation similar to that of TBA. UV and CD spectroscopy, together with anti-coagulation and HPLC studies revealed that although nuclease stability was enhanced, and anti-coagulation reasonably good, the thermal stability of the quadruplexes was adversely affected.}, keywords = {aptamers, clotting time, ethylene glycol spacer, G-quadruplexes, nuclease stability}, issn = {2365-6549}, doi = {10.1002/slct.202102269}, author = {Wagh, Atish A. and Ghalawat, Monika and Fernandes, Moneesha} } @article {47126, title = {Repurposing the McoTI-II rigid molecular scaffold in to inhibitor of {\textquoteleft}papain superfamily{\textquoteright} cysteine proteases}, journal = {Pharmaceuticals}, volume = {14}, year = {2021}, month = {JAN}, pages = {7}, type = {Article}, abstract = {
Clan C1A or {\textquoteleft}papain superfamily{\textquoteright} cysteine proteases are key players in many important physiological processes and diseases in most living systems. Novel approaches towards the development of their inhibitors can open new avenues in translational medicine. Here, we report a novel design of a re-engineered chimera inhibitor Mco-cysteine protease inhibitor (CPI) to inhibit the activity of C1A cysteine proteases. This was accomplished by grafting the cystatin first hairpin loop conserved motif (QVVAG) onto loop 1 of the ultrastable cyclic peptide scaffold McoTI-II. The recombinantly expressed Mco-CPI protein was able to bind with micromolar affinity to papain and showed remarkable thermostability owing to the formation of multi-disulphide bonds. Using an in silico approach based on homology modelling, protein-protein docking, the calculation of the free-energy of binding, the mechanism of inhibition of Mco-CPI against representative C1A cysteine proteases (papain and cathepsin L) was validated. Furthermore, molecular dynamics simulation of the Mco-CPI-papain complex validated the interaction as stable. To conclude, in this McoTI-II analogue, the specificity had been successfully redirected towards C1A cysteine proteases while retaining the moderate affinity. The outcomes of this study pave the way for further modifications of the Mco-CPI design for realizing its full potential in therapeutics. This study also demonstrates the relevance of ultrastable peptide-based scaffolds for the development of novel inhibitors via grafting.
}, keywords = {Cathepsin, Clan CA cysteine proteases, cyclotide, cystatin, McoTI-II, papain, protein engineering}, doi = {10.3390/ph14010007}, author = {Mishra, Manasi and Singh, Vigyasa and Tellis, Meenakshi B. and Joshi, Rakesh S. and Singh, Shailja} } @article {47752, title = {Resistive switching in HfO2-x/La0.67Sr0.33MnO3 heterostructures: an intriguing case of low H-field susceptibility of an E-field controlled active interface}, journal = {ACS Applied Materials \& Interfaces}, volume = {13}, year = {2021}, month = {NOV }, pages = {54133-54142}, type = {Article}, abstract = {High-performance nonvolatile resistive random access memories (ReRAMs) and their small stimuli control are of immense interest for high-speed computation and big-data processing in the emerging Internet of Things (IoT) arena. Here, we examine the resistive switching (RS) behavior in growth-controlled HfO2/La0.67Sr0.33MnO3 (LSMO) heterostructures and their tunability in a low magnetic field. It is demonstrated that oxygen-deficient HfO2 films show bipolar switching with a high on/off ratio, stable retention, as well as good endurance owing to the orthorhombic-rich phase constitution and charge (de)trapping-enabled Schottky-type conduction. Most importantly, we have demonstrated that RS can be tuned by a very low externally applied magnetic field (similar to 0-30 mT). Remarkably, application of a magnetic field of 30 mT causes RS to be fully quenched and frozen in the high resistive state (HRS) even after the removal of the magnetic field. However, the quenched state could be resurrected by applying a higher bias voltage than the one for initial switching. This is argued to be a consequence of the electronically and ionically {\textquoteleft}{\textquoteleft}active{\textquoteright}{\textquoteright} nature of the HfO2-x/LSMO interface on both sides and its susceptibility to the electric and low magnetic field effects. This result could pave the way for new designs of interface-engineered high-performance oxitronic ReRAM devices.}, keywords = {charge trapping-detrapping, low external magnetic field, oxide-oxide interface, pulsed laser deposition, resistive switching, Schottky barrier}, issn = {1944-8244}, doi = {10.1021/acsami.1c15082}, author = {Antad, Vivek and Shaikh, Parvez A. and Biswas, Abhijit and Rajput, Shatruhan Singh and Deo, Shrinivas and Shelke, V, Manjusha and Patil, Shivprasad and Ogale, Satishchandra} } @article {47610, title = {Resolving diverse protein-DNA footprints from exonuclease-based ChIP experiments}, journal = {Bioinformatics}, volume = {37}, year = {2021}, month = {JUL}, pages = {I367-I375}, type = {Article; Proceedings Paper}, abstract = {Motivation: High-throughput chromatin immunoprecipitation (ChIP) sequencing-based assays capture genomic regions associated with the profiled transcription factor (TF). ChIP-exo is a modified protocol, which uses lambda exonuclease to digest DNA close to the TF-DNA complex, in order to improve on the positional resolution of the TF-DNA contact. Because the digestion occurs in the 50-30 orientation, the protocol produces directional footprints close to the complex, on both sides of the double stranded DNA. Like all ChIP-based methods, ChIP-exo reports a mixture of different regions associated with the TF: those bound directly to the TF as well as via intermediaries. However, the distribution of footprints are likely to be indicative of the complex forming at the DNA. Results: We present ExoDiversity, which uses a model-based framework to learn a joint distribution over footprints and motifs, thus resolving the mixture of ChIP-exo footprints into diverse binding modes. It uses no prior motif or TF information and automatically learns the number of different modes from the data. We show its application on a wide range of TFs and organisms/cell-types. Because its goal is to explain the complete set of reported regions, it is able to identify co-factor TF motifs that appear in a small fraction of the dataset. Further, ExoDiversity discovers small nucleotide variations within and outside canonical motifs, which co-occur with variations in footprints, suggesting that the TF-DNA structural configuration at those regions is likely to be different. Finally, we show that detected modes have specific DNA shape features and conservation signals, giving insights into the structure and function of the putative TF-DNA complexes.}, issn = {1367-4803}, doi = {10.1093/bioinformatics/btab274}, author = {Biswas, Anushua and Narlikar, Leelavati} } @article {47358, title = {Resonance study: effect of partial triples excitation using complex absorbing potential-based Fock-space multi-reference coupled cluster}, journal = {International Journal of Quantum Chemistry}, volume = {121}, year = {2021}, month = {SEP}, pages = {e26738}, type = {Article; Early Access}, abstract = {
Resonances are metastable states with finite lifetime. They play important role in physics, chemistry and biology. The theoretical calculation of resonance state is a challenging problem. In this paper we have studied the shape resonance of Be, Mg, N-2 and CO. We have used correlated independent particle approximation to the Fock space multi-reference coupled cluster singles-doubles with third-order triples (CAP-CIP-FSMRCCSD(T)) method augmented by complex absorption potential. The resonance energy and decay widths are obtained by solving a non-Hermitian eigen-value problem within FSMRCC framework. The effects of the lowest order triples on the resonance energy and decay are studied.
}, keywords = {complex absorbing potential, electron affinity, Fock\&\#8208, negative ion resonance, partial triples, space MRCC}, issn = {0020-7608}, doi = {10.1002/qua.26738, Early Access Date = MAY 2021}, author = {Jana, Irina and Basumallick, Suhita and Pal, Sourav and Vaval, Nayana} } @article {47782, title = {Resveratrol loaded cubic phase nanoparticles with enhanced oral bioavailability}, journal = {BioNanoScience}, volume = {11}, year = {2021}, month = {DEC}, pages = {1108 - 1118}, type = {Article}, abstract = {Resveratrol (RES), a naturally occurring hydrophobic polyphenolic compound, has shown potential anticancer activity. However, due to low aqueous solubility and extensive first pass metabolism (primarily by cytochrome enzymes), it shows poor oral bioavailability. In the present work, novel RES loaded cubosomes of glycerol monooleate (GMO) and Gelucire 44/14 (GL44) (RES-Cubs) were prepared. RES-Cubs were prepared by emulsion evaporation technique and optimized using 32 factorial design. The optimized RES-Cubs were assessed for particle size, zeta potential, entrapment efficiency, FTIR, TEM, SAXS, in vitro resveratrol release and oral bioavailability. RES-Cubs showed an average particle size of 121.7 {\textpm} 2.54~nm with adequate entrapment efficiency of about 82.0 {\textpm} 2.35\% w/w. The analysis of SAXS profile of RES-Cubs revealed Pn3m crystallographic space group containing diamond cubic phase. In vitro RES release profile of RES-Cubs exhibited markedly sustained release of resveratrol. Furthermore, RES-Cubs demonstrated considerable enhancement in oral bioavailability (ninefold) of resveratrol as compared to RES alone. The developed RES loaded cubosomes bearing cytochrome enzyme inhibitor property can act as promising nanocarrier in the delivery of lipophilic drugs with a drawback of in vivo degradation by cytochrome enzymes.}, isbn = {2191-1649}, doi = {10.1007/s12668-021-00892-9}, url = {https://doi.org/10.1007/s12668-021-00892-9}, author = {Rawat, Neeraj Kumar and Torris, Arun and Bhat, Suresh and Mahadik, Kakasaheb and Patil, Sharvil} } @article {47416, title = {Reusable magnetic nanocatalyst for bio-fuel additives: the ultrasound-assisted synthesis of solketal dagger}, journal = {Sustainable Energy \& Fuels }, volume = {5}, year = {2021}, month = {APR}, pages = {2362-2372}, type = {Article}, abstract = {
Acetalization of glycerol into solketal, a potential fuel additive, is a promising approach to utilizing the large waste-stream of glycerol from the biodiesel industry. Herein, we report an efficient ultrasound-assisted room temperature synthesis of solketal by acetalization of glycerol with acetone using an easily recoverable sulfonic acid-functionalized, silica-coated Fe3O4 magnetic nanoparticle (Fe3O4@SiO2@SO3H MNP, FSS MNP) catalyst. The morphology, chemical composition and magnetic properties of the catalyst were elucidated. The acetalization of glycerol was carried out under ultrasonication at room temperature, resulting in 97\% glycerol conversion after 15 minutes and 95\% isolated yield of solketal with 100\% selectivity for this acetal. The facile magnetic retrievability of the catalyst imparted operational simplicity to the solketal synthetic protocol, avoiding complicated catalyst separation and product purification processes. The FSS catalyst was magnetically recycled for up to five catalytic experiments, maintaining a glycerol conversion of 95\% and without deterioration in its selectivity, composition, morphology or magnetic properties, thereby ameliorating the green aspects of the protocol.
}, issn = {2398-4902}, doi = {10.1039/d0se01900c, Early Access Date = MAR 2021}, author = {Rajkumari, Kalyani and Changmai, Bishwajit and Meher, Ananta Kumar and Vanlalveni, Chhangte and Sudarsanam, Putla and Wheatley, Andrew E. H. and Rokhum, Samuel Lalthazuala} } @article {47673, title = {Review of the recent progress on thermal conductivity of nanofluid}, journal = {Journal of Molecular Liquids}, volume = {338}, year = {2021}, month = {SEP }, pages = {116929}, type = {Review}, abstract = {Thermal properties of nanofluids are very well investigated by the global research community for their various applications. The dispersion and stability of the nanoparticles in the base fluid are the essential requirements for the efficient utilization of nanofluids in many applications. The interfacial layer plays a crucial role in the dispersion, stability, and heat transfer properties of the nanofluid. The heat transfer property of the nanofluids is mainly influenced by the heat transfer properties at the particle-fluid interface. The thickness and thermal conductivity of the interfacial layer are the crucial factors that decide the heat transfer at the interface, and the difficulties in the determination of these factors limits the progress of the research. In this review article, the experimental studies on the thickness and thermal conductivity of the interfacial layer are reviewed briefly. The effect of interfacial the layer on the nanoscale mechanisms and thermophysical properties of nanofluids are reviewed. The effect of various tunable parameters on the heat transfer properties of the interfacial layer is also reviewed. This review will be beneficial for fine-tuning nanofluid{\textquoteright}s thermal properties and their commercial applications. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Interfacial layer, Interfacial thermal conductance, Nanofluid, Surfactants, Thermal conductivity}, issn = {0167-7322}, doi = {10.1016/j.molliq.2021.116929}, author = {Lenin, Ramanujam and Joy, Pattayil Alias and Bera, Chandan} } @article {47788, title = {Review on bio-inspired synthesis of silver nanoparticles: their antimicrobial efficacy and toxicity}, journal = {Engineered Science}, volume = {16}, year = {2021}, month = {JUN}, pages = {90-128}, type = {Review Paper}, abstract = {Silver nanoparticles are one of the most studied compounds in materials science due to their antimicrobial efficacies and, for instance, in photocatalysis, dye-sensitised solar cells, and biomedical devices. However, conventional methods of synthesis of silver nanoparticles (AgNPs) require hazardous and costly chemicals, and a large amount of energy is expended. In this review, efforts have been made to target where eco-friendly synthetic techniques are being conducted using various plant extract to develop nanoparticles in inexpensive, easily scaled up, and environmentally benign. These findings are stimulated intense research activities that focused on synthesis, modification, properties, and applications of these ecofriendly nanoparticles. This review covers all these aspects, such as the biological routes for the synthesis of nanoparticles employed to synthesis the nano-silver using algae, bacteria, plants, fungi, etc. Also, the chemical positions and possible traditional uses of the plants are enlisted.\ }, issn = {2576-9898}, doi = {10.30919/es8d479}, url = {http://dx.doi.org/10.30919/es8d479}, author = {Prasad, S.R. and Teli, S.B. and Ghosh, J. and Prasad, N.R. and Shaikh, V. S. and Nazeruddin, G.M. and Al-Sehemi, Abdullah G. Al and Patel, Imran and Shaikh, Y.I.} } @article {47773, title = {Review on liquid chromatographic analysis of colchicine in the forensic and medical perspective}, journal = {Toxicologie Analytique et Clinique}, volume = {33}, year = {2021}, month = {DEC}, pages = {276-287}, type = {Article}, abstract = {Colchicine is a tricyclic alkaloid extracted from the family of plants called Colchicaceae. Colchicine is pharmacologically active and works as an anti-mitotic agent. The alkaloid has a narrow therapeutic index, and a slight increase in colchicine concentration can lead to toxicity, and an overdose can be fatal to the individual. This nature of the alkaloid has made the scientific community interested in the analysis of colchicine. This critical review mainly comprises an analytical overview of the extraction and the liquid chromatographic (LC) analysis of colchicine in the field of forensic and medical toxicology. The prominent extraction techniques, detectors, and liquid chromatographic parameters favorable for colchicine estimation have been discussed in this paper. This review has covered the relevant research works within a timeline of two decades based on the scope of the literature and the scientific importance.}, doi = {10.1016/j.toxac.2021.07.007}, author = {Krishna, Rohith and Shivankar, Bhavana} } @article {47129, title = {Review on selective production of acetophenone from oxidation of ethylbenzene over heterogeneous catalysts in a decade}, journal = {Catalysis Letters}, year = {2021}, month = {JAN}, type = {Article; Early Access 2021}, abstract = {
The consumption of acetophenone (AP) is increasing worldwide because of its applications in products such as alcohol, aldehydes, resins, esters, fragrances, and pharmaceuticals. AP is manufactured via several methods like decomposition of cumene hydroperoxide, Hock process, and Friedel-Crafts acylation reaction using homogeneous catalysts with solvent and oxidant. However, it causes several environmental problems that deteriorate the production of AP with these methods. Oxidation of ethylbenzene (EB) is one of the promising methods to synthesize AP in liquid and vapor phases reaction using heterogeneous catalysts, which plays a vital role for selective production of AP. In this review, numerous heterogeneous catalysts are discussed including transition metal nanoparticles, transition metal complexes, and metal free catalysts (carbon nanotubes) used in last 10 years for oxidation of EB. Additionally, catalyst activity along with reaction parameters and its effect, mechanisms, and kinetics study are summarized in this article. The future scope of this reaction is also highlighted. Moreover, this work identifies best catalysts for bulk production of AP with high yield to satisfy global requirement.
}, keywords = {acetophenone, ethylbenzene, Heterogeneous catalysts, Oxidation reaction, reaction mechanisms}, issn = {1011-372X}, doi = {10.1007/s10562-020-03474-8, Early Access Date = JAN 2021}, author = {Nandanwar, Sachin U. and Rathod, Simmy and Bansal, Videsha and Bokade, Vijay V.} } @article {47051, title = {Rhamonolipids produced by Pseudomonas aeruginosa promotes methane hydrates formation in fixed bed silica gel medium}, journal = {Marine Geophysical Research}, volume = {42}, year = {2021}, month = {MAR}, pages = {5}, type = {Article}, abstract = {
Natural gas hydrates are seen as an alternative future energy source. They have also been valued for their carbon dioxide capturing capability, gas separation, desalination, natural gas storage and transportation. Developing economical and viable gas hydrate based technology is one of the most promising research areas of present decade. Successful commercialization of gas hydrate based technology is often curtailed due to slow formation rate. The present study evaluates biosurfactant as a kinetic promoter of methane hydrates formation in a fixed bed C type silica gel medium. Biosurfactant was produced by growing Pseudomonas aeruginosa strain A11 in glycerol supplemented mineral salt medium. Biosurfactant characterization with FTIR, NMR and MALDI-TOF spectroscopy reveled it to be a glycolipids type biosurfactant namely rhamnolipids. Saturating C type silica gel with of 100 ppm rhamnolipids solution enhanced the rate of methane hydrates formation by reducing the induction time. Mole of methane consumed and percentage of water to hydrate conversion was observed to be more in 1000 ppm rhamnolipids saturated C type silica gel as compared to quiescent water system and water saturated silica gel system. Overall results suggest that rhamonolipids produced by strain A11 in combination with silica gel can be utilized as environmentally safe kinetic promoter for methane hydrate formation.
}, keywords = {Biosurfactant, Energy, Glycolipids, Induction time, Kinetic promoter}, issn = {0025-3235}, doi = {10.1007/s11001-020-09426-6}, author = {Arora, Amit and Cameotra, Swaranjit Singh and Balomajumder, Chandrajit and Kumar, Rajnish and Singh, Anil Kumar and Santhakumari, B. and Kumar, Pushpendra and Laik, Sukumar} } @article {47063, title = {Rhizobacterial consortium mediated aroma and yield enhancement in basmati and non-basmati rice ( Oryza sativa L.)}, journal = {Journal of Biotechnology}, volume = {328}, year = {2021}, month = {FEB}, pages = {47-58}, type = {Article}, abstract = {
Basmati and non-basmati rice varieties are commercially important. Aromatic rice varieties are low yielding and recently depletion in aroma is observed due to the shift towards modern agriculture. Therefore, it is necessary to restore the aroma and increase the yield through sustainable agriculture. The use of microbial bioinoculants is one of the promising ways to achieve these targets. With these objectives, rhizospheric bacterial strains Enterobacter hormaechei (AM122) and Lysinibacillus xylanilyticus (DB25) having the property of synthesizing 2acetyl-1-pyrroline (2AP) were isolated from the rhizosphere of two aromatic rice varieties, Ambemohar-157 and Dehradun Basmati respectively and their effect on plant growth, aroma and yield enhancement under mono-inoculation and consortium conditions was analyzed. The bacterial inoculum in consortium resulted in significant improvement in vegetative growth, yield and 2AP content over mono inoculation and control. The study highlights the potential of E. hormaechei and L. xylanilyticus in plant growth, yield and aroma enhancement in basmati and non-basmati rice varieties. These strains can be taken up further for developing a commercial bioformulation.
}, keywords = {2-Acetyl-1-pyrroline, Basmati rice, Non-basmati rice, plant growth promotion, Rhizosphere, yield}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2021.01.012}, author = {Dhondge, Harshal V. and Pable, Anupama A. and Barvkar, Vitthal T. and Dastager, Syed G. and Nadaf, Altafhusain B.} } @article {47831, title = {Rigidity dictates spontaneous helix formation of thermoresponsive colloidal chains in poor solvent}, journal = {ACS Nano}, volume = {15}, year = {2021}, month = {DEC}, pages = {19702-19711}, type = {Article}, abstract = {The formation of helical motifs typically requires specific directional interactions. Here, we demonstrate that isotropic interparticle attraction can drive self-assembly of colloidal chains into thermo-reversible helices, for chains with a critical level of backbone rigidity. We prepare thermoresponsive colloidal chains by cross-linking PNIPAM microgel-coated polystyrene colloids ({\textquotedblleft}monomers{\textquotedblright}), aligned in an AC electric field. We control the chain rigidity by varying cross-linking time. Above the LCST of PNIPAM, there is an effective attraction between monomers so that the colloidal chains are in a bad solvent. On heating, the chains decrease in size. For the most rigid chains, the decrease is modest and is not accompanied by a change in shape. Much less rigid chains form relatively compact structures, resulting in a large increase in the local monomer density. Unusually, chains with intermediate rigidity spontaneously assemble into helical structures. The chain helicity increases with temperature and plateaus above the collapse transition temperature of the microgel particles. We simulate a minimal model that captures the spontaneous emergence of the helical conformations of the polymeric chain and provides insight into this shape transition. Our work suggests that a purely mechanical instability for semiflexible filaments can drive helix formation, without the need to invoke directional interactions.}, doi = {10.1021/acsnano.1c07048}, author = {Biswas, Bipul and Mitra, Debarshi and KP, Fayis and Bhat, Suresh and Chatterji, Apratim and Kumaraswamy, Guruswamy} } @article {47783, title = {Rise of the superbugs: what we need to know overview of antimicrobial resistance}, journal = {Resonance}, volume = {26}, year = {2021}, month = {SEP}, pages = {1251 - 1266}, type = {Article}, abstract = {Bacteria often cause infections, and we take antibiotics to help us recover. Antibiotics are like magic pills that have saved millions of lives. However, the overuse of antibiotics is now making bacteria evolve fast and evade these antibiotics. A few bacteria like the purple one in the petri plate (Figure 1) have evolved a way to dodge and not get killed by one particular kind of antibiotic. The day might come soon when not a single antibiotic would work, and we could die of even tiny paper cuts. In this article, we discuss what antibiotics are, how they target bacteria, and why bacteria are suddenly becoming resistant to antibiotics. We include a list of ten points that each of us must follow and a pledge for everyone to take, to help stop the spread of antibiotic resistance. A small questionnaire is included that we would like you all to answer. Together we can win the battle against antibiotic resistance.}, isbn = {0973-712X}, doi = {10.1007/s12045-021-1227-8}, url = {https://doi.org/10.1007/s12045-021-1227-8}, author = {Sengupta, Durba and Raghunathan, Anu} } @article {47395, title = {Role of charge compensation mechanism and defect dipoles on properties of Mn doped BCT ceramics}, journal = {Ceramics International}, volume = {47}, year = {2021}, month = {APR}, pages = {11491-11505}, type = {Article}, abstract = {
Single-phase Mn doped Barium Calcium Titanate (BCT) (Ba0.80Ca0.20Ti1-xMnxO3; x = 0.000, 0.005, 0.010, 0.015 and 0.020) lead free ceramics have been prepared by conventional solid-state reaction method. XRD studies and Rietveld refinement confirmed the existence of tetragonal phase (P4mm) for all prepared ceramic compositions. The average grain size increased up to x = 0.005 and thereafter it decreased with increase in Mn content in BCT compositions. Analysis of temperature-dependent dielectric study revealed phase transformation from tetragonal to cubic phase and defect dipole induced anomaly in paraelectric region of temperature-dependent dielectric constant ( epsilon{\textquoteright}-T) curve. Degree of diffusiveness increased with Mn doping in BCT ceramics as confirmed by evaluating diffused phase transition (DPT) parameters (gamma and delta(c)) by Power Law fitting and width of diffused phase transition (D{\textquoteright}) obtained from derivative of epsilon{\textquoteright}-T curve. Ferroelectric (P-E loops) study revealed that ceramic composition with x = 0.015 Mn content showed the highest remnant polarization (P-r) and maximum polarization (P-max) of 14.10 mu C/cm(2) and 24.20 mu C/cm(2) respectively. Enhancement in energy storage properties with applied electric fields have been observed at room temperature. Maximum energy storage density W-rec similar to 190.89 mJ/cm(3) with an efficiency of 48.63\% has been obtained for x = 0.015. A large piezoelectric charge coefficient (d(33)) of 460 pC/N has been obtained for x = 0.020. The room temperature magnetic measurements shows feeble ferromagnetism for Mn doped samples. These studies suggest the application of these ceramics for multilayer ceramic capacitors, energy storage, and high power applications..
}, keywords = {Defect dipoles, Dielectric anomaly, Energy storage, Ferroelectric materials, ferromagnetic materials, Lead-free ceramics, Mn doped BCT, piezoelectric, Williamson-Hall (W-H)}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2020.12.277}, author = {Redhu, Preeti and Sharma, Preeti and Hooda, Ashima and Singh, Anupinder and Sharma, Geeta and Punia, Rajesh} } @article {47823, title = {Role of chemical structure of support in enhancing the catalytic activity of a single atom catalyst toward NRR: a computational study}, journal = {Frontiers in Chemistry}, volume = {9}, year = {2021}, month = {SEP}, type = {Article}, abstract = {Using the periodic density functional theory{\textendash}based methodology, we propose a potential catalytic system for dinitrogen activation, viz., single metal atoms (Mo, Fe, and V) supported on graphene-based sheets. Graphene-based sheets show an excellent potential toward the anchoring of single atoms on them (Mo, Fe, and V) with adsorption energies ranging between 1.048 and 10.893~eV. Factors such as defects and BN doping are noted to enhance the adsorption energies of single metal atoms on the support. The adsorption of a dinitrogen molecule on metal atom{\textendash}anchored graphene-based supports is seen to be highly favorable, ranging between 0.620 and 2.278~eV. The adsorption is driven through a direct hybridization between the d orbitals of the metal atom (Mo, Fe, and V) on the support and the p orbital of the molecular nitrogen. Noticeably, BN-doped graphene supporting a single metal atom (Mo, Fe, and V) activates the N2 molecule with a red shift in the N{\textendash}N stretching frequency (1,597~cm-1 as compared to 2,330~cm-1 in the free N2 molecule). This red shift is corroborated by an increase in the N{\textendash}N bond length (1.23~{\r A} from 1.09~{\r A}) and charge transfer to an N2 molecule from the catalyst.}, issn = {2296-2646}, doi = {10.3389/fchem.2021.733422}, author = {Senthamaraikannan, Thillai Govindaraja and Kaliaperumal, Selvaraj and Krishnamurty, Sailaja} } @article {47098, title = {Role of cholesterol in transmembrane dimerization of the ErbB2 growth factor receptor}, journal = {Journal of Membrane Biology}, year = {2021}, month = {JAN}, type = {Article; Early Access 2021}, abstract = {
The association of ErbB2 growth factor receptors is critical for cell growth and potentiates tumor proliferation in several cancer types. An important aspect in ErbB2 association is the role of lipids such as cholesterol, especially since their metabolism is often reprogrammed in cancer cells. Here, we have coupled metadynamics with coarse-grain simulations to identify cholesterol effects in the transmembrane dimerization of ErbB2 receptors. Overall, cholesterol interactions are observed with the receptor that directly tunes the association energetics. Several dimer conformations are identified both in the presence and absence of cholesterol, although the dimer regime appears to be more favorable in the presence of cholesterol. We observe an overall modulation of the underlying energy profile and the symmetric active and inactive conformational states are not distinguished in the presence of cholesterol. We show that cholesterol binds to the receptor transmembrane domain at a site (CRAC motif) that overlaps with the dimer interface (SmXXXSm motif). The competition between the transmembrane interactions and cholesterol interactions decides the final conformational landscape. Our work is an important step toward characterizing cholesterol effects in ErbB2 membrane receptor function. [GRAPHICS] .
}, keywords = {Cholesterol, ErbB2 growth factor receptor, Her2 dimer, Juxtamembrane dimer, Martini coarse-grain simulations, Metadynamics}, issn = {0022-2631}, doi = {10.1007/s00232-021-00168-z, Early Access Date = JAN 2021}, author = {Pawar, Aiswarya B. and Sengupta, Durba} } @article {47634, title = {Role of metal-support interaction for atmospheric pressure CO2 hydrogenation over Pd/(Ti)-SBA-15 catalyst: effect of titanium composition on products selectivity}, journal = {Molecular Catalysis}, volume = {511}, year = {2021}, month = {JUL}, pages = {111732}, type = {Article}, abstract = {The potential role of metal-support interaction for tuning the product selectivity during atmospheric pressure CO2 hydrogenation has been demonstrated on Pd/(Ti)-SBA-15 catalyst. Highly dispersed Pd NPs on SBA-15 (Pd/ SBA-15) was synthesized and further modified with titanium of varying composition. Comparison of catalytic activity of Pd/Ti-SBA-15 with its counterparts (Pd/SBA-15 and Pd/TiO2) illustrated the significance of strong PdTi interface in this catalyst and its role in tuning the product selectivity of CO2 hydrogenation. The generation of an ample amount of oxygen vacancies in the Pd/Ti-SBA-15 catalyst with maximum metallic Pd sites in close vicinity of Ti is proposed to boost the CO2 hydrogenation activity.}, keywords = {CO2 hydrogenation, Metal-support interaction, Modified deposition precipitation, oxygen vacancies, Titanosilicates}, issn = {2468-8231}, doi = {10.1016/j.mcat.2021.111732}, author = {Soni, Yogita and Gupta, Sharad and Vinod, C. P.} } @article {47375, title = {Role of Nd3+ concentration on the microstructure and scintillation behaviour of langbeinite sulphate (vol 284, 128997, 2021)}, journal = {Materials Letters}, volume = {290}, year = {2021}, month = {MAY}, pages = {129472}, type = {Correction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2021.129472}, author = {Poornima, Velswamy and Mohan, Subramaniam and Uma, Tiruchirappalli Sivagnanam} } @article {47096, title = {Role of Nd3+ concentration on the microstructure and scintillation behaviour of langbeinite sulphate}, journal = {Materials Letters}, volume = {284}, year = {2021}, month = {FEB }, pages = {128997}, type = {Article}, abstract = {
Langebeinite (K2Ca2(SO4)(3)) ceramics doped with increasing concentrations of Nd3+ ions (0.01-0.04 mol\%) was prepared by wet chemical precipitation and calcination at 800 degrees C. Thermal studies revealed high temperature stability of the phosphors. UV-VIS-NIR spectroscopic analysis of phosphors reveal strong absorption peaks representing f -\> f transitions. Direct bandgap derived from Kubelka-Munk plot was found to be similar to 5.66 eV. FTIR studies reveal tetrahedral symmetry of the SO42 ions. SEM micrographs reveal the formation of phosphors with wide particle size distribution and elemental composition was analysed using EDX studies. Scintillation studies representing a single high intensity peak around 784 nm is ascribed to I-4(9/2) -\> F-4(5/2) + H-2(9/2) transition. Langbeinite phosphor with 0.02 mol\% of Nd3+ exhibited maximum emission intensity indicating optimal concentration for scintillation studies favouring the development of NIR emitting phosphors. (c) 2020 Elsevier B.V. All rights reserved.
}, keywords = {Ceramics, Langebeinites, Luminescence, Microstructure, Neodymium, Scintillation}, issn = {0167-577X}, doi = {10.1016/j.matlet.2020.128997}, author = {Poornima, Velswamy and Mohan, Subramaniam and Uma, Tiruchirappalli Sivagnanam} } @article {47641, title = {Role of preparation parameters of Cu-Zn mixed oxide catalyst in solvent free glycerol carbonylation with urea}, journal = {Journal of the Indian Chemical Society}, volume = {98}, year = {2021}, month = {JUL}, pages = {100090}, type = {Article}, abstract = {Solvent-free carbonylation of glycerol with urea to glycerol carbonate (GC) was achieved over heterogeneous Cu-Zn mixed oxide catalyst. Cu-Zn catalysts with different ratios of Cu:Zn were prepared using co-precipitation (CP) and oxalate gel (OG) methods. As compared to CuO-ZnO(2:1) catalyst prepared by oxalate gel (OG) method, much higher conversion of glycerol and highest selectivity towards glycerol carbonate (GC) was achieved with CuO-ZnO_CP(2:1) catalyst. Physicochemical properties of prepared catalysts were investigated by using XRD, FT-IR, BET, TPD of CO2 and NH3 and TEM techniques. The effect of stoichiometric ratio of Cu/Zn, calcination temperature of CuO-ZnO catalysts and effect of reaction parameters such as molar ratio of substrates, time and temperature on glycerol conversion to GC were critically studied. Cu/Zn of 2:1 ratio, glycerol-urea 1:1 molar ratio, 145 degrees C reaction temperatures were found to be optimized reaction conditions to achieve highest glycerol conversion of 86\% and complete selectivity towards GC. The continuous expel of NH 3 from reaction the mixture avoided formation of ammonia complex with CuO-ZnO catalyst. As a result of this, CuO-ZnO catalyst could be recycled up to three times without losing its initial activity.}, keywords = {Co-precipitation (CP), Glycerol, Glycerol carbonate, Oxalate gel (OG)}, issn = {0019-4522}, doi = {10.1016/j.jics.2021.100090}, author = {Charate, Shrinivas and Shinde, Suhas and Kondawar, Sharda and Desai, Uday and Wadgaonkar, Prakash and Rode, Chandrashekhar} } @article {47703, title = {Room-temperature quasi-catalytic hydrogen generation from waste and water}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {OCT}, pages = {7528-7533}, type = {Article}, abstract = {A solvation-driven catalyst-free H-2 generation system from water and various waste hydrosilanes at room temperature was developed, with good to quantitative H-2 yields in minutes. Using a green solvent is found to promote the strong coordination of proton carriers with hydrosilane to liberate H-2 based on molecular dynamics simulations. Theoretical calculations clarify that OH(-)in situ generated from H2O enabled by solvation is favorable for activating the Si-H species of hydrosilane, and the in situ formed Si-OH interacts more effectively with the adjacent remaining Si-H, both contributing to the overall enhanced H-2 generation. Moreover, the overall life-cycle impacts of the developed system are less than those of industrial H-2 production processes, especially in ozone layer depletion and abiotic depletion resources - fossil fuels. This protocol realizes the potential of efficiently producing H-2 from waste and water, and opens a new avenue to alleviate petroleum consumption.}, issn = {1463-9262}, doi = {10.1039/d1gc02722k}, author = {Wu, Hongguo and Zhang, Li-Long and Wang, Junqi and Jiang, Yiyuan and Li, Hu and Sudarsanam, Putla and Yang, Song} } @article {47047, title = {Ru-catalyzed asymmetric transfer hydrogenation of alpha-acyl butyrolactone via dynamic kinetic resolution: asymmetric synthesis of bis-THF alcohol intermediate of darunavir}, journal = {Tetrahedron Letters}, volume = {66}, year = {2021}, month = {MAR }, pages = {152831}, type = {Article}, abstract = {
The Ru-catalyzed enantio- and diastereoselective dynamic kinetic resolution of alpha-(benzyloxy/benzoyloxy)acyl-gamma-butyrolactones has been examined via transfer hydrogenation. Employing the in situ prepared (R,R)-Ru-FsDPEN catalyst, the transfer hydrogenation of using formic acid/triethylamine at rt gave the corresponding (S)-3-((S)-2-(benzyloxy/benzoyloxy)-1-hydroxyethyl)dihydrofuran-2(3H)-on e with good to excellent diastereo- and enantioselectivity. One of the resulting hydrogenation product prepared on gram scales was utilized for the synthesis of (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol (1), a key synthetic intermediate of various HIV protease inhibitors such as darunavir with excellent enantio-(95\% ee) and diastereoselectivities (dr 95:5). (C) 2021 Elsevier Ltd. All rights reserved.
}, keywords = {Bis-THF-OH intermediate, Darunavir, Dynamic kinetic resolution, Ru-catalysis, transfer hydrogenation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2021.152831}, author = {More, V. Ganesh and Malekar, V. Pushpa and Kalshetti, Rupali G. and Shinde, Mahesh H. and Ramana, V. Chepuri} } @article {47688, title = {Safe water and technology initiative for water disinfection: application of natural plant derived materials}, journal = {Journal of Water Process Engineering}, volume = {43}, year = {2021}, month = {OCT}, pages = {102280}, type = {Article}, abstract = {Safe drinking water is the necessity of life. The present study reveals use of natural resources such as plant extracts and natural oils for water disinfection. Differences between oil and water soluble additives were highlighted for plant extracts and insoluble natural oils. A hybrid hydrodynamic cavitation process was quite effective in both the cases and high rates of disinfection were achieved. Studies were reported using oils (ginger, turmeric, lavender, tulsi) and rhizome derived plant extracts such as ginger, turmeric and mango ginger, as additives in process intensification (0.1\% v/V). A vortex based cavitation device (vortex diode, nominal capacity 1 m3/h) was used with pressure drop of 1 bar. A high disinfection of 96\% and 88\% was obtained in 15 min for ginger oil and mango ginger extract respectively as compared to 44\% using cavitation alone. Acoustic cavitation gave 94\% and 30\% disinfection with and without additive-mango ginger extract. The FTIR analyses before and after cavitation, with ginger additive, showed no by-products formation and indicated gingerol as active component in disinfection. The per-pass disinfection values were also higher, up to 5 times than cavitation alone. Hybrid hydrodynamic cavitation using natural plant derived materials can offer a promising technology alternative in water disinfection.}, keywords = {Cavitation, Disinfection, Natural oil, Plant extract, Water treatment}, issn = {2214-7144}, doi = {10.1016/j.jwpe.2021.102280}, author = {Mane, Maya B. and Bhandari, Vinay M. and Ranade, Vivek V.} } @article {47632, title = {Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {SEP}, pages = {5994-6011}, type = {Article}, abstract = {The marketed formulation of pazopanib (PAZ) suffers from low and variable bioavailability because of its poor dissolution rate and photostability issues. The drug falls under Biopharmaceutics Classification System (BCS) class II of low solubility and good permeability. The hydrogen bonds and supramolecular interactions in crystalline forms of PAZ with hydroxybenzoic acids (HBAs) and dihydroxybenzoic acids (DHBAs), as well as its salts are analyzed. Ten X-ray crystal structures of PAZ which include the reference drug, a tetrahydrofuran solvate (PAZ center dot THF) and eight salts with HBAs/DHBAs are reported. There is proton transfer from the carboxylic group of the coformer acid to the most basic nitrogen atom of the 2-aminopyrimidine ring of PAZ in all cases. Two salts were crystallized in neat form, while the remaining six are solvates and hydrates. The crystal structure of PAZ is stabilized by sulfonamide and 2-aminopyrimidine homosynthons of N-HMIDLINE HORIZONTAL ELLIPSISO and N-HMIDLINE HORIZONTAL ELLIPSISN hydrogen bonds in an R2(2)(8) ring motif. PAZ center dot HBA/DHBA salts consistently contain the aminopyridiniumMIDLINE HORIZONTAL ELLIPSIScarboxylate N+-HMIDLINE HORIZONTAL ELLIPSISO- synthon of the R2(2)(8) ring. The sulfonamide homosynthon of PAZ is disrupted in preference to the formation of N-HMIDLINE HORIZONTAL ELLIPSISO and N-HMIDLINE HORIZONTAL ELLIPSISN hydrogen bonds in salt structures. The presence of an additional basic nitrogen atom in the indazole ring of PAZ promotes hydration and solvation through the O-HMIDLINE HORIZONTAL ELLIPSISN hydrogen bond. Whereas the formation of salts is desirable for pharmaceutical formulation, the inclusion of adventitious solvent and/or water molecules with hydroxybenzoic acid coformers in the cocrystal-salt products is a limitation for this class of coformers. The stability problem faced with hydrates and solvates of PAZ center dot HBA/DHBA salts means that their formation must be carried out by strictly anhydrous procedures. The consistent occurrence of the aminopyridiniumMIDLINE HORIZONTAL ELLIPSIScarboxylate N+-HMIDLINE HORIZONTAL ELLIPSISO- ring synthon is discussed in relation to the previous results of Aakeroy, Nangia and Zaworotko groups on similar acid-base multi-component systems.}, doi = {10.1039/d1ce00785h}, author = {Rai, Sunil K. and Baidya, Debjani and Nangia, Ashwini K.} } @article {47101, title = {Scalable and thin film approach for solar hydrogen generation: a review on enhanced photocatalytic water splitting}, journal = {Journal of Materials Chemistry A}, volume = {9}, year = {2021}, month = {JAN}, pages = {1353-1371}, type = {Review}, abstract = {
Although nearly five decades of efforts have gone into solar water splitting (SWS), still success eludes and there is no big breakthrough till date. While huge importance is given either individually or concurrently to the three fundamental steps, namely, light absorption, charge carrier separation and diffusion and charge utilization at redox sites, many aspects that are practically helpful to improve the efficiency are not widely discussed and practised. Nonetheless, by adopting a number of small, but significant changes, solar hydrogen production can be enhanced. The present review discusses such different approaches employed for photocatalytic water splitting reported in the literature. For example, an increase of up to two orders of magnitude in solar hydrogen generation was observed with a film form compared to the particulate form of the same catalyst. Discussion on various approaches of enhanced hydrogen production under sunlight and one sun conditions is the main focus of this review, in particular with thin-film forms. The merits and demerits of thin film and particulate methods, respectively, are addressed in detail. Potential methods and successful stories on scalability are also discussed in the present review. In contrast to charge collection over a long distance in solar cell-based methods, a film-based method discussed shows that the local charge utilisation at a zero applied potential is an attractive feature for SWS. A comparison is provided between the PEC-WS and SWS for solar hydrogen generation, and how far we are from the reality to produce solar hydrogen on an industrial scale. We believe the presently practised diverse evaluation efforts may be truncated to fewer methods such as film-based evaluation and in a focussed manner to tackle the SWS issue towards sustainable production of solar hydrogen.
}, issn = {2050-7488}, doi = {10.1039/d0ta09619a}, author = {Gopinath, Chinnakonda S. and Nalajala, Naresh} } @article {47423, title = {Scalable, sustainable and catalyst-free continuous flow ozonolysis of fatty acids}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {MAR}, pages = {2391-2396}, type = {Article}, abstract = {
A simple and efficient catalyst-free protocol for continuous flow synthesis of azelaic acid is developed from the renewable feedstock oleic acid. An ozone and oxygen mixture was used as the reagent for oxidative cleavage of double bond without using any metal catalyst or terminal oxidant. The target product was scaled up to more than 100 g with 86\% yield in a white powder form. Complete recycling and reuse of the solvent were established making it a green method. The approach is significantly energy efficient and also has a very small chemical footprint. The methodology has been successfully tested with four fatty acids making it a versatile platform that gives value addition from renewable resources.
}, issn = {1463-9262}, doi = {10.1039/d0gc04021e}, author = {Atapalkar, Ranjit S. and Athawale, Paresh R. and Reddy, D. Srinivasa and Kulkarni, Amol A.} } @article {47674, title = {Seed-mediated growth of Pt on high-index faceted Au nanocrystals: the ag lining and implications for electrocatalysis}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {SEP }, pages = {9155-9166}, type = {Article}, abstract = {Bimetallic Au@Pt nanocrystals (NCs) offer a unique combination of plasmonic and catalytic properties and are a growing field of research. Herein, we report an unusual observation in the behavior of silver ions (Ag+) which was found to play a dominant role in dictating the Pt deposition in a seed-mediated growth method. {\textquoteleft}While the literature is replete with various instances of Ag-assisted Pt deposition whereby higher concentration of Ag+ translates into a thicker Pt shell, in the present study, contradictory observations were made. In the presence of lower amounts of Ag+, thick Pt shells were visualized, while at higher concentrations of Ag+, the extent of Pt deposition via the galvanic replacement reaction was reduced. Additionally, the presence of Ag was deemed necessary for the Pt deposition to take place, either in the form of an underpotential deposition layer on the Au NCs or by introducing Ag+ in the growth solution. We have demonstrated our findings on two different Au NCs enclosed with high-index facets, concave cuboid, and elongated tetrahexahedra, which mirror similar observations and provide generality to our claim. To the best of our knowledge, the time required for Pt deposition on the Au core in the present work is the least among the reported seed-mediated routes. Furthermore, this work, besides presenting a facile and general route for the amalgamation of catalytic and plasmonic properties in hybrid Pt-Au NCs, sheds light on the mechanistic aspects of Ag-assisted wet-chemical generation of bimetallic Au@Pt NCs. The overall electrocatalytic performance of our Au@Pt NCs toward the oxygen reduction reaction was realized to be impressive.}, keywords = {bimetallic nanostructure, galvanic replacement reaction, high-index facet, oxygen reduction reaction, seed-mediated growth, underpotential deposition}, doi = {10.1021/acsanm.1c01714}, author = {Roy, Debashree and Rajendra, Ranguwar and Gangadharan, Pranav K. and Pandikassala, Ajmal and Kurungot, Sreekumar and Ballav, Nirmalya} } @article {47309, title = {Selective deoxygenation of fatty acids to fuel-range hydrocarbons over Pt-MOx/ZrO2 (M = Mo and W) catalysts}, journal = {Catalysis Today}, volume = {375}, year = {2021}, month = {SEP}, pages = {174-180}, type = {Article}, abstract = {
A comparative catalytic activity study of Pt-MoOx/ZrO2\ and Pt-WOx/ZrO2\ for deoxygenation of oleic acid (OA) forming fuel-range, linear hydrocarbons is reported. These catalysts (with 4 wt\% Pt and 8 wt\% Mo or W) were prepared by a sequential wet-impregnation method and characterized for the structural and electronic properties. Pt-MoOx/ZrO2\ showed higher catalytic activity than Pt-WOx/ZrO2. Hydrodeoxygenation was the selective pathway over these bifunctional catalysts yielding n-octadecane. High conversion of OA was achieved at 200 {\textdegree}C itself. On the contrary, monometallic Pt/ZrO2\ was weakly active. It was selective mainly toward decarboxylation/decarbonylation producing n-heptadecane. Higher amounts of Pt and metal oxide in reduced forms are responsible for the high hydrodeoxygenation activity and selectivity of these reusable, bimetallic catalysts.
}, doi = {10.1016/j.cattod.2020.04.020}, author = {Janampelli, Sagar and Darbha, Srinivas} } @article {47691, title = {Separation of a diastereomeric diol pair using the mechanical properties of crystals}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {OCT}, pages = {7056-7060}, type = {Article}, abstract = {We report the separation of a (2S,3R/S)-3-ethyl-1-phenylhex-5-ene-2,3-diol (ephd) diastereomeric pair with visually indistinguishable acicular morphologies based on their mechanical responses, which is found to be more efficient than conventional separation methods. Furthermore, the molecular crystals of (2S,3R)-ephd show elastic deformation, while (2S,3S)-ephd fractures in a brittle manner under similar conditions.}, doi = {10.1039/d1ce01055g}, author = {Gamidi, Rama Krishna and Dandawate, Monica and Choudhury, Rahul and Tothadi, Srinu and Nangia, Ashwini and Reddy, D. Srinivasa} } @article {47427, title = {Short enantioselective total synthesis of (+)-tofacitinib}, journal = {Tetrahedron Letters}, volume = {67}, year = {2021}, month = {MAR}, pages = {152838}, type = {Article}, abstract = {
An enantioselective total synthesis of Tofacitinib (CP-690,550), a Janus tyrosine kinase (JAK3) specific inhibitor has been achieved from the readily available 4-piperidone. Proline catalysed hydroxylation is the key step for the synthesis of enantiopure 1-benzyl-4-methylpiperidin-3-ol. (C) 2021 Elsevier Ltd. All rights reserved.
}, keywords = {aminohydroxylation, Hydrogenation, L-proline, piperidone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2021.152838}, author = {Mane, Kishor D. and Kamble, Rohit B. and Suryavanshi, Gurunath} } @article {47345, title = {Significance of secondary forces toward improving the charge carrier mobility of Isoindigo based conjugated small molecules}, journal = {Chemical Physics Letters}, volume = {774}, year = {2021}, month = {JUL}, pages = {138621}, type = {Article}, abstract = {
The charge carrier mobility of conjugated small molecules (CSMs) depends on the intermolecular interactions and morphology. Herein, we report the synthesis of CSMs having different side chains. Hydrogen bonding, lipophilic imbalance and van der Waals interactions are imparted through the asymmetric substitution of Isoindigo. The secondary forces impact thin film morphology, and charge carrier mobility. The CSMs having van der Waals interaction further shows higher charge carrier mobility as a function of improved morphology, and increased temperature. The highest mobility of 0.15 cm2/Vs has been achieved for CSMs with van der Waals interaction.
}, keywords = {Conjugated small molecules, Isoindigo, mobility, OFET, Secondary force}, issn = {0009-2614}, doi = {10.1016/j.cplett.2021.138621}, author = {Dharmapurikar, Satej S. and Kashmir, Arulraj Arul and Kumari, Tanya and Kalalawe, Virbhadra and Kanetkar, Maruti and Chini, Mrinmoy Kumar} } @article {47405, title = {Silk fibroin and ceramic scaffolds: comparative in vitro studies for bone regeneration}, journal = {Bioengineering \& Translational Medicine}, year = {2021}, month = {APR}, pages = {e10221}, type = {Article; Early Access}, abstract = {
Synthetic bone void fillers based on calcium ceramics are used to fill cavities in the bone and promote bone regeneration. More recently, silk fibroin (SF), a protein polymer obtained from Bombyx mori silkworm, has emerged as a promising material in bone void filling. In this work, we have compared the safety and efficacy of two types of silk fibroin-based bone void fillers with currently used and commercially available ceramic bone void fillers (based on calcium sulphate, beta tricalcium phosphate, and beta tricalcium phosphate with hydroxyapatite). Further, we have also evaluated these two types of SF scaffolds, which have strikingly different structural attributes. The biocompatibility of these scaffolds was comparable as assessed by cytotoxicity assay, cellular adhesion assay, and immunogenic assay. Ability of the scaffolds to support differentiation of human mesenchymal stem cells (hMSCs) into an osteoblastic lineage was also evaluated in an in vitro differentiation experiment using reverse transcriptase polymerase chain reaction analysis. These results revealed that cells cultured on SF scaffolds exhibit higher expression of early to late markers such as Runx2, BMPs, collagen, osterix, osteopontin, and osteocalcin as compared with ceramic-based scaffolds. This observation was further validated by studying the expression of alkaline phosphatase and calcium deposition. We also show that scaffolds made from same material of SF, but characterized by very different pore architectures, have diverse outcome in stem cell differentiation.
}, keywords = {beta tricalcium phosphate, bone regeneration, bone void filler, calcium sulphate, hMSCs, hydroxyapatite, osteoblasts, scaffold, Silk fibroin}, doi = {10.1002/btm2.10221, Early Access Date = APR 2021}, author = {Deshpande, Rucha and Shukla, Swati and Sayyad, Raeesa and Salunke, Shalmali and Nisal, Anuya and Venugopalan, Premnath} } @article {47580, title = {Single-pot alcoholysis of furfuryl alcohol to alkyl levulinates using heterogenized p-TSA catalyst**}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {JUL }, pages = {6636-6643}, type = {Article}, abstract = {Synthesis of levulinate esters which are known to be excellent sustainable fuel additives, was achieved by alcoholysis of furfuryl alcohol over strong solid acid catalyst, prepared by copolymerization of p-toluenesulfonic acid with paraformaldehyde. Our catalyst possessed Bronsted acidity (3 mmol/g) with an excellent stability up to 220 degrees C. XPS, FT-IR and Pyridine-IR along with microanalysis studies confirmed the presence of terminal -SO3H functional groups responsible for Bronsted acidity in the catalyst. The catalyst was found to efficiently catalyze the alcoholysis of furfuryl alcohol to give alkyl levulinates under mild reaction conditions. The complete conversion of furfuryl alcohol with 96 \% and 97 \% selectivities to ethyl and butyl levulinates could be achieved using ethanol and butanol, respectively. Detailed study on effect of various reaction parameters like catalyst loading, reaction time and reaction temperature on conversion and product distribution was also carried out for the ethanolysis of furfuryl alcohol to ethyl levulinate. The catalyst could be easily recovered and recycled for five times successfully, with no loss in its original activity.}, keywords = {Biomass, ethyl levulinate, Fuel additive, Furfuryl alcohol, heterogeneous catalysis}, issn = {2365-6549}, doi = {10.1002/slct.202101392}, author = {Patil, Chetana R. and Kamble, Sanjay P. and Rode, Chandrashekhar V.} } @article {47459, title = {Slip behavior during pressure driven flow of Laponite suspension}, journal = {Physics of Fluids}, volume = {33}, year = {2021}, month = {MAY}, type = {Article}, abstract = {
We investigate pressure driven pipe flow of Laponite suspension, as a model thixotropic fluid. The tendency of the suspension to age is controlled by addition of sodium chloride salt to vary the ionic strength. We use a syringe pump to prescribe the flow and observe that a steady state flow is obtained. Unusually, the steady state pressure drop required to maintain a constant flow rate decreases with an increase in the flow rate, in qualitative contrast to the expectation for Poiseuille flow. We demonstrate that experimental results obtained by varying the flow rate, salt concentration, and flow geometry (pipe diameter and length) can be collapsed onto a single universal curve that can be rationalized by invoking slip of the suspension at the tube walls. The Laponite suspension exhibits plug-like flow, yielding at the tube walls. Our results suggest that the slip length varies linearly with the flow rate and inversely with the tube diameter.
}, doi = {10.1063/5.0051044}, author = {Kamdi, Prophesar M. and Orpe, Ashish V. and Kumaraswamy, Guruswamy} } @article {47695, title = {Solvent extraction of copper enhanced by mixing cavities in micromixer}, journal = {Solvent Extraction Research and Development-Japan}, volume = {28}, year = {2021}, month = {JUL}, pages = {37-47}, type = {Article}, abstract = {A Y micromixer with a macroscopic mixing cavity at the inlet junction was developed. The effects of the mixing cavity on the improvement of extraction of copper by LIX 841 were investigated. The investigated parameters and their ranges were: overall flow rate: 10 - 200 mL/min; microchannel size: 0.5 - 1 mm and mixing cavity diameter: 5 - 20 mm. Extraction efficiency, volumetric mass transfer coefficient, kinetics and pressure drop were investigated. The extraction efficiency and the volumetric mass transfer coefficient in the cavity micromixer were significantly higher than the Y micromixer. The volumetric mass transfer coefficient ranged between 1 - 93 s(-1), and the pressure drop between 50 - 500 kPa. The residence time required in the micromixers was two orders of magnitude lesser than that of an agitated batch reactor.}, issn = {1341-7215}, doi = {10.15261/serdj.28.37}, author = {Sheik, Abdul Rauf and Kulkarni, Amol A. and Sanjay, Kali} } @article {47377, title = {Solvent free, environment benign synthesis of 1,4-dihydropyridines and polyhydroquinolines by using heterogeneous Zn/MCM-41 catalyst}, journal = {Research on Chemical Intermediates}, volume = {47}, year = {2021}, month = {AUG}, pages = {3263-3287}, type = {Article}, abstract = {
Heterogeneous catalysis has been utilized in number of efficient reactions with higher selectivity of the product, more stable, reusable and easy for separation as compared to homogeneous catalysts. Generally, heterogeneous catalysts are prepared by using mesoporous materials, microporous materials, metal oxides and metal organic framework. The mesoporous materials have small particle size and high surface area as compared to the microporous materials. The adsorbent mesoporous materials have highly efficient for the therapeutic applications in chemistry hence it has best as compared to other heterogeneous materials. Herein, we have reported synthesis of 1,4-dihydropyridines and polyhydroquinolines at solvent free and environmental benign condition in the presence of Zn/MCM-41 catalyst. The present protocol gives excellent yield (89-96\%) of the product within short reaction time by easy work up procedure and no need of further purification of product. The catalyst was characterized by XRD diffractometer, SEM, EDAX, TGA-DTA, BET surface area analysis and FT-IR Spectroscopy. The synthesized organic compounds were characterized by FT-IR, H-1 NMR, C-13 NMR, LC-MS spectrometry.
}, keywords = {High activity, High selectivity, mesoporous materials, microporous materials, Reusability of catalyst}, issn = {0922-6168}, doi = {10.1007/s11164-021-04473-z, Early Access Date = APR 2021}, author = {Dhengale, Shankar D. and Naik, Vaibhav M. and Kolekar, Govind B. and Rode, Chandrashekhar V. and Anbhule, Prashant V.} } @article {47442, title = {Spatio-temporal resolution of taxonomic and functional microbiome of Lonar soda lake of India reveals metabolic potential for bioremediation}, journal = {Chemosphere}, volume = {264}, year = {2021}, month = {FEB}, pages = {128574}, type = {Article}, abstract = {
Lonar Lake, India; a hypersaline and hyperalkaline extremophilic ecosystem having a unique microbial population has been rarely explored for bioremediation aspects. MinION-based shotgun sequencing was used to comprehensively compare the microbial diversity and functional potential of xenobiotic degradation pathways with seasonal changes. Proteobacteria and Firmicutes were prevalent bacterial phyla in the pre-monsoon and post-monsoon samples. Functional analysis from SEED-subsystem and KEGG database revealed 28 subsystems and 18 metabolic pathways for the metabolism of aromatic compounds and xenobiotic biodegradation respectively. Occurrence of N-phenyl alkanoic, benzoate, biphenyl, chloroaromatic, naphthalene, and phenol degradation genes depicted varied abundance in the pre-monsoon and post-monsoon samples. Further, KEGG analysis indicated nitrotoluene degradation pathway (ko00633) abundant in post-monsoon samples, and the benzoate degradation pathway (ko00362) predominant in 19LN4S (pre-monsoon) than 18LN7S (post-monsoon) samples. The abundant genes for benzoate degradation were pcaI: 3-oxoadipate CoA-transferase, alpha subunit, pcaH: protocatechuate 3,4-dioxygenase, beta subunit, and pcaB: 3-carboxy-cis, cis-muconate cycloisomerase, and 4-oxalocrotonate tautomerase. This metagenomic study provides a unique blueprint of hitherto unexplored xenobiotic biodegradation genes/pathways in terms of seasonal variations in the Lonar Lake, and warrants active exploitation of microbes for bioremediation purposes.
}, doi = {10.1016/j.chemosphere.2020.128574}, author = {Chakraborty, Jaya and Rajput, Vinay and Sapkale, Vibhavari and Kamble, Sanjay and Dharne, Mahesh} } @article {47744, title = {Stabilization of Azapeptides by N-amide center dot center dot center dot H-N-amide Hydrogen Bonds}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {JUL }, pages = {4949-4954}, type = {Article}, abstract = {An unusual N-amide center dot center dot center dot H-Namide hydrogen bond (HB) was previously proposed to stabilize the azapeptide beta-turns. Herein we provide experimental evidence for the N-amide center dot center dot center dot H-Namide HB and show that this HB endows a stabilization of 1-3 kcal.mol(-1) and enforces the trans-cis-trans (t-c-t) and cis-cis-trans (c-c-t) amide bond conformations in azapeptides and N-methyl-azapeptides, respectively. Our results indicate that these N-amide center dot center dot center dot H-Namide HBs can have stabilizing contributions even in short azapeptides that cannot fold to form beta-turns.}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c01111}, author = {Baruah, Kalpita and Sahariah, Biswajit and Sakpal, Sushil S. and Deka, Jugal Kishore Rai and Bar, Arun Kumar and Bagchi, Sayan and Sarma, Bani Kanta} } @article {47714, title = {Stabilization of the elusive antimony(I) cation and its coordination complexes with transition metals}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {NOV}, pages = {25522-25529}, type = {Article}, abstract = {Upon stabilization by 5,6-bis(diisopropylphosphino)acenaphthene to form compound 1, the fugitive antimony (I) cation exhibited nucleophilic behavior towards coinage metals. Compound 1 was strategically synthesized at room temperature from SbCl3, the bis(phosphine), and trimethylsilyl trifluoromethanesulfonate taken in a 1:2:3 ratio, whereby the bis(phosphine) plays the dual role of a reductant and a supporting ligand. The generation of 1 involves two-electron oxidation of the ligand to form a P-P bonded diphosphonium dication. Compound 1 was separated from this dication to give both products in pure form in moderate yields. Despite the overall positive charge, the Sb-I site in 1 was found to bind to metal centers, forming complexes with Au-I, Ag-I and Cu-I. Compound 1 reduced Cu-II to Cu-I and formed a coordination complex with the resulting Cu-I species. The effects of the electron-rich bis(phosphine) and the constrained peri geometry in stabilizing and enhancing the nucleophilicity of 1 have been rationalized through computational studies.}, keywords = {antimony(I) cation, coordination modes, nucleophilicity, phosphine ligands, reduction}, issn = {1433-7851}, doi = {10.1002/anie.202111339}, author = {Kumar, Vikas and Gonnade, Rajesh G. and Yildiz, Cem B. and Majumdar, Moumita} } @article {47659, title = {Stereoselective total synthesis of (+/-)-pleurospiroketals A and B}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {OCT }, pages = {13572-13582}, type = {Article}, abstract = {A full account of our efforts toward the stereoselective total synthesis of sesquiterpenoid-derived natural products (+/-)-pleurospiroketals A and B is described. Commercially available 3-methyl-2-cyclohexenone and 2,2-dimethyloxirane were used as key building blocks, and the substrate-controlled stereoselection was exploited to access the entire stereochemistry of these natural products. Initially, a planned synthetic route involving a [6,5]-bicyclic lactone intermediate was found to be insurmountable, and the later strategy comprising OsO4-NMO-mediated dihydroxylation of 3-methyl-2-cyclohexenone, followed by Luche reduction, Eschenmoser methylenation, and Bronsted acid-induced spiroketalization steps, was ultimately identified as the reliable strategy.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c01634}, author = {Thorat, Sagar S. and Krishna, Gamidi Rama and Kontham, Ravindar} } @article {47363, title = {Strategies for the synthesis of furo-pyranones and their application in the total synthesis of related natural products}, journal = {Organic Chemistry Frontiers}, volume = {8}, year = {2021}, month = {MAY}, pages = {2110-2162}, type = {Review}, abstract = {
The furo-pyranone framework is widely present in the molecular structure of various biologically potent natural products and un-natural small molecules, and it represents a valuable target in synthetic organic chemistry and medicinal chemistry. In the last five decades, numerous innovative synthetic methodologies have been disclosed for these bis-oxacyclic fused heterocycles, expanding the scope of accessible building blocks, efficient and affordable catalysis, facile reaction conditions, and overall practicality of the process. In this comprehensive review article, we focus on showcasing the complete spectrum (from the first report in the 1970s to the latest disclosure in 2020) of efforts devoted towards the synthesis of diverse classes of furo-pyranones through systematization and critical analysis of the accumulated experimental knowledge and their elegant applications in total syntheses of biologically interesting related natural products.
}, issn = {2052-4129}, doi = {10.1039/d0qo01421d}, author = {Thorat, Sagar S. and Kontham, Ravindar} } @article {47785, title = {Structural and computational investigation of an imine-based propeller-shaped macrocyclic cage}, journal = {SN Applied Sciences}, volume = {3}, year = {2021}, month = {FEB}, type = {Article}, abstract = {In this study, we present the synthesis, spectroscopic and structural characterization of self-assembling gem-dimethyl imine based molecular cage (IMC). Self-assembling macrocycles and cages have well-defined cavities and have extensive functionalities ranging from energy storage, liquid crystals, and catalysts to water splitting photo absorber. IMC has large voids i.e., 25\% of the total crystal volume thus could accommodate wide substrates. The synthesized imine-based molecular cages are stabilized by coaxial π bonded networks and long-range periodic van der Waal and non-bonded contacts as observed from the crystal structure. IMC also has typical properties of soft condensed matter materials, hence theoretical prediction of stress and strain tensor along with thermophysical properties were computed on crystal system and were found to be stable. Molecular dynamics revealed IMC is stabilized by, strong interactions between the interstitial phenyl rings. Density functional theory (DFT) based physicochemical properties were evaluated and has band gap of around 2.38ev (520 nm) similar to various photocatalytic band gap materials.}, doi = {10.1007/s42452-021-04255-7}, author = {Madhu, Suresh and Raghavan, Sriram} } @article {47693, title = {Structure-property correlation of halogen substituted benzothiazole crystals}, journal = {Journal of Molecular Structure}, volume = {1243}, year = {2021}, month = {NOV }, pages = {130765}, type = {Article}, abstract = {We have synthesized 3 benzothiazole crystals (1-3) based on existing knowledge of combining flexibility and optical properties towards achieving applications for flexible optoelectronics. However, one crystal was found to be elastically bendable and was found to comply necessary packing features for elasticity. Other two crystals do not obey packing features for elasticity hence they are brittle in nature. Further, Hirshfeld analysis illustrates that elastic crystal 1 possess more number of weak and dispersive interactions compared to other crystals. These interactions were instrumental in invoking elasticity. Moreover, crystals 1-3 were found to be fluorescent as well at specific excitation wavelengths. Therefore, among these crystals, particularly crystal 1 is considered as more promising candidate for flexible optoelectronics. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Benzothiazole crystals, Elasticity, Halogen bond, mechanical properties}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2021.130765}, author = {Thekkeppat, Nipun P. and Singla, Labhini and Tothadi, Srinu and Das, Priyadip and Choudhury, Angshuman Roy and Ghosh, Soumyajit} } @article {47729, title = {Structure-tailored non-noble metal-based ternary chalcogenide nanocrystals for pt-like electrocatalytic hydrogen production}, journal = {ChemSusChem}, volume = {14}, year = {2021}, month = {AUG }, pages = {3074-3083}, type = {Article}, abstract = {A facile microwave-assisted strategy was employed to synthesize Ni3Bi2S2 nanocrystals. Variation in the synthesis conditions tuned the composition of monoclinic and orthorhombic phases of Ni3Bi2S2. The electrochemical hydrogen evolution activity of the catalyst with highest percentage of monoclinic phase demonstrated a negligible onset potential of only 24 mV close to that of state-of-the-art Pt/C with an overpotential as low as 88 mV. Density functional theory calculations predicted the monoclinic phase exhibit the lowest adsorption free energy corresponding to hydrogen adsorption (Delta GadsH*) and, therefore, the highest hydrogen evolution activity amongst the considered phases. The quasi-2D structure of monoclinic phase facilitated an increased charge-transfer between Ni and Bi, favoring the downward shift of the d-band center to enhance the catalytic activity.}, keywords = {charge transfer, electrocatalysis, hydrogen evolution reaction, Nanomaterials, ternary chalcogenides}, issn = {1864-5631}, doi = {10.1002/cssc.202100967}, author = {Sarkar, Shreya and Rawat, Abhishek and Das, Tisita and Gaboardi, Mattia and Chakraborty, Sudip and Vinod, C. P. and Peter, Sebastian C.} } @article {47429, title = {Study of combinatorial drug synergy of novel acridone derivatives with temozolomide using in-silico and in-vitro methods in the treatment of drug-resistant glioma}, journal = {Frontiers in Oncology}, volume = {11}, year = {2021}, month = {MAR}, pages = {625899}, type = {Article}, abstract = {
Drug resistance is one of the critical challenges faced in the treatment of Glioma. There are only limited drugs available in the treatment of Glioma and among them Temozolomide (TMZ) has shown some effectiveness in treating Glioma patients, however, the rate of recovery remains poor due to the inability of this drug to act on the drug resistant tumor sub-populations. Hence, in this study three novel Acridone derivative drugs AC2, AC7, and AC26 have been proposed. These molecules when combined with TMZ show major tumor cytotoxicity that is effective in suppressing growth of cancer cells in both drug sensitive and resistant sub-populations of a tumor. In this study a novel mathematical model has been developed to explore the various drug combinations that may be useful for the treatment of resistant Glioma and show that the combinations of TMZ and Acridone derivatives have a synergistic effect. Also, acute toxicity studies of all three acridone derivatives were carried out for 14 days and were found safe for oral administration of 400 mg/kg body weight on albino Wistar rats. Molecular Docking studies of acridone derivatives with P-glycoprotein (P-gp), multiple resistant protein (MRP), and O6-methylguanine-DNA methyltransferase (MGMT) revealed different binding affinities to the transporters contributing to drug resistance. It is observed that while the Acridone derivatives bind with these drug resistance causing proteins, the TMZ can produce its cytotoxicity at a much lower concentration leading to the synergistic effect. The in silico analysis corroborate well with our experimental findings using TMZ resistant (T-98) and drug sensitive (U-87) Glioma cell lines and we propose three novel drug combinations (TMZ with AC2, AC7, and AC26) and dosages that show high synergy, high selectivity and low collateral toxicity for the use in the treatment of drug resistant Glioma, which could be future drugs in the treatment of Glioblastoma.
}, keywords = {acridone derivatives, drug combinations, drug resistance, Glioma, mathematical model, synergy index}, issn = {2234-943X}, doi = {10.3389/fonc.2021.625899}, author = {Chakravarty, Malobika and Ganguli, Piyali and Murahari, Manikanta and Sarkar, Ram Rup and Peters, Godefridus Johannes and Mayur, Y. C.} } @article {47394, title = {Study of growth kinetics of Fe3Se4 nanocrystallites and the influence of size and shape tunability on their magnetic properties}, journal = {Journal of Physical Chemistry C }, volume = {125}, year = {2021}, month = {APR}, pages = {7932-7943}, type = {Article}, abstract = {
Crystalline iron selenide (Fe3Se4) nanoparticles (NPs) present a useful model system for a fundamental understanding of magnetism apart from having potential applications in permanent-magnet-related technologies. Despite significant advancements in understanding of the nucleation and growth processes, control over size and shape tunability is nontrivial, especially for the transition metal chalcogenides (TMC). The Wulff theorem states that if a crystal can grow purely under thermodynamic control of parameters then it will adopt the shape determined by the surface-energy minimization, i.e., the surface energy minimization will drive the growth of each crystalline facet. However, the known or unknown, controllable or uncontrollable parameters of a typical reaction which makes kinetic growth more art than science, depending upon whether we understand them or not. There is hardly any study based on existing models and theories to explain the TMC morphology evolution. In this work, there is a conscious effort to know, understand, and control the individual role of various reaction pathways on the shape and size of the Fe3Se4 nanocrystals. A qualitative growth mechanism is proposed based on the diffusion and reaction processes. Furthermore, the influence of shape/size on the magnetic parameters such as coercivity (H-C), magnetization (M-60kOe), effective magnetic anisotropy constant (K-eff), energy product (BHmax), and average blocking temperature (T-B) is investigated for Fe3Se4 NPs. After diving deeper into the science of crystal growth, our insight provides valuable guidance on experimental conditions for the synthesis of Fe3Se4 NPs with tunable sizes/shapes which for the first time can be extended to most TMCs.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.1c00389}, author = {Ghalawat, Monika and Poddar, Pankaj} } @article {47733, title = {Study on the failure of guide ropes used in mines}, journal = {Insight}, volume = {63}, year = {2021}, month = {JUN}, pages = {357-361}, type = {Article}, abstract = {The skips/cages in mine hoisting have to be guided to achieve high hoisting rates. Steel guide ropes are used in hoisting because they can safely guide the skips/cages and have been observed to be economical. Guide ropes are static in nature and are thus more prone to corrosion. An investigation into the causes of failure of a guide rope is discussed in this paper. The study consists of physical examination, examination of wear and corrosion, macro- and micro- examination, examination of the breaking load and individual tensile strength measurement of the rod. The main cause of failure is found to be corrosion. Heavy abrasion and corrosion together causes a substantial reduction in diameter of more than 60\%. Corrosion raises the stress level and thereby weakens the grains, which is indicated by the cracks that have developed all along the grains as revealed through micro-examination. This affects the breaking strength and reveals a 37\% loss of strength, as a result of which failure occurs.}, keywords = {corrosion on steel guide rope, guide rope failure, steel guide rope, wear}, issn = {1354-2575}, doi = {10.1784/insi.2021.63.6.357}, author = {Singh, M. K. and Mallick, M. and Verma, M. K.} } @article {47661, title = {Substrate augmented catalytic activity towards NRR: a case study of Li doped Al clusters on defective graphene}, volume = {566}, year = {2021}, month = {NOV}, pages = {150586}, type = {Article}, abstract = {Density Functional Theory (DFT) based methods are applied to examine the potential of lithium doped aluminium clusters consisting of 3-13 atoms for dinitmgen molecule activation in terms of N N bond length, redshift in N N bond stretching frequency, nitrogen interaction energy and frontier molecular orbitals analysis. The present work highlights the role of monovacant C-3 defective graphene as a support in fine tuning the catalytic activity of Li doped Al clusters for reduction of N-2. Fundamental insights to synergic binding of clusters with defective graphene is brought out and its role in enhancing activation of dinitmgen molecule is explained. Supported Aln-1Li clusters with six or more atoms are noted to be more active towards N-2 molecule activation as compared to the clusters without support. Dinitrogen molecule undergoes a maximum bond elongation of 1.56 angstrom corresponding to redshift of 1690 cm(-1) on Al7Li@graphene and Al12Li@graphene. This is maximum value reported in context of activation for N-2 molecule till date.}, keywords = {Al clusters, Al12Li, C-3 defective graphene, DFT, Li Doping, N-2 activation, Red-shift}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.150586}, author = {Samal, Pragnya Paramita and Poonam and Krishnamurty, Sailaja} } @article {47382, title = {Substrate, catalyst, and solvent: the triune nature of multitasking reagents in hydroboration and cyanosilylation}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {APR}, pages = {1104-1112}, type = {Article}, abstract = {
A truly green chemical process would avoid the use of an external catalyst, while still achieving high efficiency. This has been realized in the very recent past for hydroboration, cyanosilylation, acetalization, and the aza-Michael addition, among other reactions. The current combined computational and experimental study unlocks the secret to how this highly desirable outcome is accomplished: one of the reactants in the process also acts as the catalyst. Specifically, this is shown (i) for the important hydroboration reaction, with pinacolborane (HBpin) as the hydroborating reagent and benzaldehyde, acetophenone, benzoic acid and p-methoxyphenylacetylene as the hydroborated substrates, and (ii) for cyanosilylation, with trimethylcyanosilane (TMSCN) as the cyanosilylating agent and benzaldehyde as the substrate. The mechanistic understanding thus gained has then been further exploited experimentally to bring hydroboration and cyanosilylation closer to experimental conditions in catalysis. These insights can potentially be expanded to the rapidly growing area of solvent-free and internal catalyst chemistry.
}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00070}, author = {Dixit, Ruchi and Bisai, Milan Kumar and Yadav, Sandeep and Yadav, Vinita and Sen, Sakya S. and Vanka, Kumar} } @article {47603, title = {Sulfonated polyvinyl alcohol ionomer membrane favoring smooth electrodeposition of zinc for aqueous rechargeable zinc metal batteries}, journal = {Sustainable Energy \& Fuels}, volume = {5}, year = {2021}, month = {OCT}, pages = {5557-5564}, type = {Article}, abstract = {One of the failure mechanisms of aqueous rechargeable zinc metal batteries (AZMBs) involves high surface area zinc (HSAZ)/dendrite-like deposits over the Zn-metal anode during long-term cycling. Negatively charged (anionic) polymeric ionomer electrolyte membranes and separators are known for suppressing the dendrite-/HSAZ-induced failure of AZMBs. However, the preparation of cost-effective and non-fluorinated ionomers from cheap and environmentally friendly polymers is essential to leverage the feasibility of AZMBs. The current work demonstrates the potential of an ionomer electrolyte membrane (P-AS-C-Zn) made by the crystallization-induced physical cross-linking of sulfonated poly (vinyl alcohol) (PVS) and poly (vinyl alcohol) (PVA) as a dendrite-/HSAZ-inhibiting separator for AZMBs. The P-AS-C-Zn membranes exhibited excellent Zn plating/stripping behavior with a stable voltage vs. time profile beyond 1100 h, compared to their neutral PVA-C-Zn counterpart without any ionomer character (cell failure at close to 280 h). Applying the optimized P-AS-C-Zn membrane in a MnO2||Zn full cell helps retain about 50\% of the initial capacity close to 600 cycles in the absence of extra manganese salt in the electrolyte, which is indeed promising.}, issn = {2398-4902}, doi = {10.1039/d1se00865j}, author = {Vijayakumar, Vidyanand and Torris, Arun and Kurian, Maria and Mathew, Megha Mary and Ghosh, Meena and Khairnar, Ajay B. and Badiger, Manohar V. and Kurungot, Sreekumar} } @article {47091, title = {Sulfonic acid-functionalized heterogeneous catalytic materials for efficient biodiesel production: a review}, journal = {Journal of Environmental Chemical Engineering}, volume = {9}, year = {2021}, month = {FEB}, pages = {104719}, type = {Review}, abstract = {
The development of social productive forces leads to the increasing consumption of fossil fuels. However, the burning of traditional fossil fuels releases huge amounts of carbon emissions into the atmosphere, resulting in drastically increased global surface temperatures, and hence, global warming and abnormal climate change. Biodiesel, which can be produced by (trans)esterification of bio-oils using solid acid catalysts, is recognized as renewable and clean energy, alternative to fossil-derived diesel, and it can meet society{\textquoteright}s requirements. This review describes the catalytic conversion of bio-derived oils into biodiesel using various sulfonic acid-functionalized heterogeneous catalytic materials that show higher catalytic efficiency and superior recyclability. Besides, various methods of biodiesel preparation and the appropriate design and preparation of robust and efficient catalytic materials for biodiesel production were provided. Finally, the mechanisms of different catalytic esterification and transesterification reactions for biodiesel synthesis, the relevant reaction kinetic models, and techno-economic analysis of biodiesel production were critically discussed in this review.
}, keywords = {(Trans)esterification, Biodiesel, heterogeneous catalysis, kinetic study, solid acid}, doi = {10.1016/j.jece.2020.104719}, author = {Tan, Xiang and Sudarsanam, Putla and Tan, Jinyu and Wang, Anping and Zhang, Heng and Li, Hu and Yang, Song} } @article {47443, title = {Supercapacitive performance of SILAR grown Mn3O4 nanoclusters: effect of cationic precursor concentration}, journal = {Chinese Journal of Physics}, volume = {72}, year = {2021}, month = {AUG}, pages = {145-158}, type = {Article}, abstract = {
Herein, we have investigated the effect of cationic precursor (manganese chloride tetrahydrate) concentration on the electrochemical performance of successive ionic layer adsorption and reaction (SILAR)-deposited Mn3O4\ thin films. The concentration of the cationic precursor was varied from 0.05 to 0.15 M, and its effect on physicochemical and electrochemical properties was studied. X-ray diffraction and X-ray photoelectron spectroscopy analyses confirmed that Mn3O4\ has a tetragonal structure with Mn2+\ and Mn3+\ oxidation states. SEM micrographs revealed that nanoclusters of Mn3O4\ with an average size of ~200 nm were formed. Moreover, transmission electron microscopy analysis revealed that these nanoclusters were formed from tiny square nanoplates with a size of ~40 nm. Electrochemical studies of the synthesized Mn3O4\ thin films were recorded in a three-electrode system, which suggests that 0.1 M cationic precursor concentration has a good electrochemical signature with a specific capacitance of 470 F/g at 1 mA/cm2\ current density in 1 M Na2SO4\ aqueous electrolyte. The cyclic stability offered was appreciable, with capacitive retention of 75\% up to 10,000 CV cycles scanned at 100 mV/s. The charge storage kinetics of the SILAR-grown Mn3O4\ thin film were investigated. With systematic study we concluded that, the molarity of the cationic precursor plays a vital role in the porosity and microstructure which drastically affects the electrochemical performance.
}, doi = {10.1016/j.cjph.2021.03.028}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Patil, D. S. and Sutar, J. R. and Shin, J. C. and Patil, P. S.} } @article {47753, title = {Supported MoOx and WOx solid acids for biomass valorization: interplay of coordination chemistry, acidity, and catalysis}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {NOV}, pages = {13603-13648}, type = {Article}, abstract = {Supported molybdenum oxide (MoOx) and tungsten oxide (WOx) materials are a vital class of solid acid catalysts for the chemical industry because of their nontoxic nature, strong acidity, remarkable stability in water, hydrogen, and oxygen atmospheres, and excellent reusability performance. These fascinating solid acids play a pivotal role in developing sustainable catalytic routes for renewable biomass processing to produce value-added fuels, chemicals, and platform molecules. The coordination chemistry of MoOx and WOx on the support materials (oxides, carbons, or zeolites) controls their acidic strength, active site accessibility, and catalytic activity. Hence, significant efforts have been made toward optimizing the conditions used for catalyst synthesis and biomass processing to tune the coordination chemistry of MoOx and WOx with the substrate molecules and, thus, their acid-activity/selectivity performance. This Review provides a comprehensive overview of supported MoOx and WOx solid acids for biomass valorization. The importance of the biomass and the role of solid acids for biomass valorization were emphasized, followed by a brief discussion of supported MoOx and WO(x )solid acids. Afterward, the interplay of coordination chemistry, acidic strength, and catalytic activity of supported MoOx and WOx solid acids was discussed. Finally, their catalytic applications for the valorization of several biomass substrates and their derivatives were summarized. This Review will provide valuable insights for developing advanced supported WOx and MoOx solid acids for catalytic biomass valorization and other challenging acid-catalyzed processes.}, keywords = {Acidity, biomass valorization, catalysis, Coordination chemistry, molybdenum oxide, tungsten oxide}, issn = {2155-5435}, doi = {10.1021/acscatal.1c03326}, author = {Sudarsanam, Putla and Gupta, Navneet Kumar and Mallesham, Baithy and Singh, Nittan and Kalbande, Pavan Narayan and Reddy, Benjaram M. and Sels, Bert F.} } @article {47075, title = {SWATH-MS based quantitative proteomics analysis to evaluate the antileishmanial effect of Commiphora wightii- Guggul and amphotericin B on a clinical isolate of Leishmania donovani (vol 223, 103800, 2020)}, journal = {Journal of Proteomics}, volume = {232}, year = {2021}, month = {FEB }, type = {Correction}, abstract = {
Drug resistance and relapse after treatment of visceral leishmaniasis (VL) with the chemotherapeutic drugs has impeded the VL elimination programme especially, in the endemic region of Bihar, India. Currently, Antimonials (Sbv) have been rendered obsolete (Bihar) as frequent treatment failure and relapse in Sbv treated patient{\textquoteright}s warrants greater vigilance and attention to the limited drugs. A clinical isolate of L.donovani obtained from an Amphotericin B (AmB) relapse patient was evaluated for its susceptibility to AmB and a hyperlipidemic drug Guggul. The evaluation of susceptibility or resistance to any drug still relies on in vitro assay on promastigote and amastigote stages of Leishmania spp. as there are no validated markers which can ascertain drug resistance in Leishmania. The anti-promastigote effect of AmB and Guggul were demonstrated by significant cellular and morphological changes exhibiting apoptosis-mediated cell death. To further illustrate the molecular mechanism of the parasite{\textquoteright}s response upon exposure to either AmB and Guggul, sequential window acquisition of all theoretical fragment ion spectra mass spectrometry (SWATH-MS) for quantitative proteomics analysis was performed along with computational data analysis; revealing considerable differences in the proteome profiles which could be regarded as putative markers for resistance or drug targets for development of therapeutic antileishmanials.
}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.104017}, author = {Routaray, Chinmayee Bar and Bhor, Renuka and Bai, Shakuntala and Kadam, Nitin Suryakant and Jagtap, Surabhi and Doshi, Pooja Jignesh and Sundar, Shyam and Sawant, Sangeeta and Kulkarni, Mahesh J. and Pai, Kalpana} } @article {47311, title = {Synergistic effect of B site co-doping with Co and Ce in bifunctional oxygen electrocatalysis by oxygen deficient brownmillerite Ba2In2O5}, journal = {Catalysis Today}, volume = {375}, year = {2021}, month = {SEP}, pages = {494-500}, type = {Article}, abstract = {
Specificity in oxygen reduction and evolution reactions is pivotal in bifunctional catalysts in advanced energy devices which are expected to be active in a wide potential window and stable in both electrochemically reducing and oxidising atmospheres. State of the art noble metal catalysts for these reactions are fraught with issues whereas, metal oxides are expected to be stable in large potential window and can be tuned to have better bifunctional activity. Catalytically active metals, redox centres, oxygen vacancies etc. are some of the features of structured oxides which can be exploited in oxygen electrocatalysis. Brownmillerite family of compounds with general formula, A2B2O5\ has high concentrations of ordered oxygen vacancy in a layer and can be promising bifunctional oxygen electrocatalysts, by appropriate B site doping. Ba2In2O5\ is a well-studied system for its oxide ion conductivity and proximity of active B sites to O vacancies provide good O adsorption sites which are catalytically active. Here, cobalt and cerium are co-doped in Ba2In2O5, anticipating a synergistic effect of Ce(III)/Ce(IV) redox centre in ORR and Co activity in OER along with O vacancies providing adsorption sites. We have studied the structural changes associated with the doping by Rietveld refinement of the XRD patterns and correlated the structure to bifunctional oxygen electrocatalytic activity which is found to enhance on increasing the Co and Ce content.
}, doi = {10.1016/j.cattod.2020.05.046}, author = {Thundiyil, Shibin and Kurungot, Sreekumar and Devi, R. Nandini} } @article {47740, title = {Synergistic electronic coupling/cross-talk between the isolated metal halide units of zero dimensional heterometallic (Sb, Mn) halide hybrid with enhanced emission}, journal = {Journal of Materials Chemistry C}, volume = {10}, year = {2021}, month = {DEC }, pages = {360-370}, type = {Article}, abstract = {Heterometallic 0D metal halide hybrids, consisting of more than one kind of metal halide units, are anticipated to manifest synergistic effects on the photo-physical properties of the constituent metal halide units. Such architectures hold great promise for design and development of function-targeted materials. However, heterometallic 0D hybrids, featuring isolated metal halide units, typically do not show any synergistic effects due to large inter-unit spatial separations that inhibit interactions/coupling between the constituent metal halide units. It remains challenging to design synthetic strategies that would support structural modifications to allow synergistic electronic coupling between the metal halide units in heterometallic 0D hybrids. Here, we report synthesis and characterization of heterometallic (Sb, Mn) 0D hybrid, namely Tris SbMnCl, with isolated MnCl5 units, (Sb/Mn)Cl-6 units, dispersed in the organic ligand matrix and layer of dynamic and networked water molecules. Steady state and time resolved emission spectra (TRES) analysis suggests strong synergistic interaction between the isolated metal halide units. Efficient energy transfer from the strongly absorbing Sb centres to emissive Mn centres results in the observed enhanced emission. Proton conductivity measurements together with first-principles calculations suggest the unique role of the networked water molecules in mediating the electronic coupling/energy transfer between the separated metal halide units in Tris SbMnCl hybrid. This report highlights the role of structure/composition of the synthesized heterometallic 0D hybrid in attaining electronic dimensionality higher than 0D through synergistic electronic interaction between the isolated metal halide units.}, issn = {2050-7526}, doi = {10.1039/d1tc04704c}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Das, Deep K. and Sam, Jisvin and Mali, Bhupendra P. and Biswas, Chinmoy and Maana, Narugopal and Thomson, Stuart and Raavi, Sai Santosh Kumar and Kurungot, Sreekumar and Gonnade, Rajesh G. and Dutta, Sudipta and Kundu, Janardan} } @article {47057, title = {Synergistic nanostructured MnOx/TiO2 catalyst for highly selective synthesis of aromatic imines}, journal = {ChemCatChem}, volume = {13}, year = {2021}, month = {APR}, pages = {1990-1997}, type = {Article}, abstract = {
This work reports the development of a synergistic nanostructured MnOx/TiO2 catalyst, with highly dispersed MnOx nanoparticles (4.5 +/- 1 nm) on shape-controlled TiO2 nanotubes (8-11 nm width and 120-280 nm length), for selective synthesis of valuable aromatic imines at industrially important conditions. Pristine TiO2 nanotubes exhibited 97 \% imine selectivity at a 38.3 \% benzylamine conversion, whereas very low imine selectivity was obtained over commercial TiO2 materials, indicating the catalytic significance of shape-controlled TiO2 nanotubes. The MnOx nanoparticle/TiO2 nanotube (10 wt\% Mn) catalyst calcined at 400 degrees C showed the best activity with 95.6 \% benzylamine conversion and 99.9 \% imine selectivity. This catalyst exhibited good recyclability for four times and is effective for converting numerous benzylamines into higher yields of imines. The high catalytic performance of MnOx/TiO2 nanotubes was attributed to higher number of redox sites (Mn3+), high dispersion of Mn species, and shape-controlled structure of TiO2, indicating that this catalyst could be a promising candidate for selective oxidation reactions.
}, keywords = {Acid-redox properties, aerobic oxidation, Nanostructured catalyst, Selective catalysis, Synergistic metal-oxide interaction}, issn = {1867-3880}, doi = {10.1002/cctc.202001870, Early Access Date = FEB 2021}, author = {Sudarsanam, Putla and Kockritz, Angela and Atia, Hanan and Amin, Mohamad Hassan and Bruckner, Angelika} } @article {47724, title = {Synthesis and application of silylene-stabilized low-coordinate Ag(I)-arene cationic complexes}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {JUN }, pages = {1626-1632}, type = {Article}, abstract = {We report the first examples of N-heterocyclic silylene-stabilized monocoordinate Ag(I) cationic complexes weakly bound to the free arene rings (C6H6, C6Me6, and C7H8). Further, the application of these electrophilic Ag(I) complexes as catalysts has been investigated toward A(3)-coupling reactions, which afforded a series of propargylamines in good to excellent yields with low catalyst loading under a solvent-free condition (19 examples).}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00083}, author = {Parvin, Nasrina and Sen, Nilanjana and Tothadi, Srinu and Muhammed, Shahila and Parameswaran, Pattiyil and Khan, Shabana} } @article {47699, title = {Synthesis and biological evaluation of hoshionolactam-based compounds}, journal = {European Journal of Organic Chemistry}, volume = {2021}, year = {2021}, month = {APR }, pages = {2212-2218}, type = {Article}, abstract = {In search of novel antitrypanosomal agents based on hoshinolactam (IC50=3.9 nM), we disclose the synthesis and biological evaluations of 14 different analogues of the natural product using combinations of different acids and lactams. Antitrypanosomal activity assays revealed that the synthesized analogues were less potent than the parent natural product.}, keywords = {Hoshinolactam, Ozonolysis, Parasitic diseases, Trypanosoma}, issn = {1434-193X}, doi = {10.1002/ejoc.202001588}, author = {Jachak, Gorakhnath R. and Elizebath, Drishya and Shukla, Anurag and Shanmugam, Dhanasekaran and Reddy, D. Srinivasa} } @article {47108, title = {Synthesis and cell imaging applications of fluorescent mono/di/tri-heterocyclyl-2,6-dicyanoanilines (vol 27, pg 979, 2017)}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {32}, year = {2021}, month = {JAN }, pages = {127737}, type = {Correction}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127737}, author = {Pisal, Mahesh M. and Annadate, Ritesh A. and Athalye, Meghana C. and Kumar, Deepak and Chavan, Subhash P. and Sarkar, Dhiman and Borate, Hanumant B.} } @article {47031, title = {Synthesis and characterization of LAGP-glass-ceramics-based composite solid polymer electrolyte for solid-state Li-ion battery application}, journal = {Journal of Non-Crystalline Solids}, volume = {558}, year = {2021}, month = {APR }, pages = {120654}, type = {Article}, abstract = {
Solid State Electrolytes (SSEs) are the future alternatives of the present conventional liquid electrolytes in terms of safety, high temperature stability and also good electrochemical performance. Glass (G), based on Lithium Aluminium Germanium Phosphate (LAGP) was prepared and converted into glass-ceramics (GC) by optimized heating schedule. The crystalline LAGP has Na Super Ionic CONductor (NASICON) type unit cell where the lithium ions hop between two different positions providing long range ionic motion. To improve the inter electrode surface resistance and cell performance, Composite Solid Electrolyte (CSE) was prepared with poly (vinylidene fluoride-co-hexaflurophoaphate) (P(VDF-HFP)), 20wt\% LAGP, Lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and 1-Ethyl-3-methylimidazolium bis-(trifluoromethylsulfonyl)-imide (EMITFSI). X-ray diffraction patterns confirm the formation of the NASICON phase in LAGP GC and the amorphous nature of the CSE. NMR studies confirm formation of the Ge/AlO6 octahedra and PO4 tetrahedra inside the crystal. 7Li NMR also confirmed two different Lithium sites in LAGP crystal. The ionic conductivity values of CSE and LAGP GC are (4.49 +/- 0.31) x 10(-3)Scm(-1) and (2.70 +/- 0.04) x 10(-4)Scm(-1), respectively. The thermal stability of the prepared CSE is tested upto 315 degrees C without any degradation. Two cells (Cell-I \& Cell-II) were fabricated using the LAGP GC and CSE respectively. Cell-II shows the specific discharge capacity of 151mAhg1 at 50th cycle which is higher as compared to Cell-I (129mAhg(-1)) when tested at the C-rate of 0.05 degrees C.
}, keywords = {Lithium germanium phosphate, NASICON, Solid state electrolyte, Solid state NMR}, issn = {0022-3093}, doi = {10.1016/j.jnoncrysol.2021.120654}, author = {Das, Anurup and Goswami, Madhumita and Illath, Kavya and Ajithkumar, T. G. and Arya, A. and Krishnan, M.} } @article {47723, title = {Synthesis, crystal structures, dielectric and magnetic properties of manganese sulfonyldibenzoates}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {OCT }, pages = {6703-6723}, type = {Article}, abstract = {{A systematic investigation of the system manganese(II) salt-H(2)SBA-auxiliary ligand-solvent successfully led to the isolation of six new multidimensional coordination polymers: [Mn-5(2-pic)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (1), [Mn-3(pyzc)(2)(DMF)(H2O)(SBA)(2)]center dot DMF center dot H2O (2), [Mn-5(pyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (3), [Mn-5(mpyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (4), [Mn-2(phen)(2)(H2O)(SBA)(2)]center dot 2DMA (5) and [Mn-3(phen)(2)(SBA)(3)]center dot 5DMF (6), where SBA = 4,4{\textquoteright}-sulfonyldibenzoate 2-pic = 2-picolinate}, doi = {10.1039/d1ce00810b}, author = {Balendra and Singh, Bharti and Banday, Azeem and Tewari, Shailabh and Kumar, Vineet and Murugavel, Sevi and Joy, P. A. and Ramanan, Arunachalam} } @article {47657, title = {Synthesis of anisotropic rod-like gold nanostructures in organic media (vol 133, 106, 2021)}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {DEC}, pages = {120}, type = {Correction}, issn = {0974-3626}, doi = {10.1007/s12039-021-01992-5}, author = {Prasad, V. Bhagavatula L. and Sivasankaran, Prathap Chandran and Patel, Pitambar and Malekar, V. Pushpa and Maya, V. K. and Ramana, V. Chepuri} } @article {47658, title = {Synthesis of anisotropic rod-like gold nanostructures in organic media}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {DEC}, pages = {106}, type = {Article}, abstract = {Synthesis of anisotropic rod-like gold nanostructures was carried out in chloroform employing a modified ascorbic acid derivative as a reducing agent in the presence and absence of seed particles. The seed particles and/or the chloroaurate ions were phase transferred to the organic media using n-octadecyl amine. High-resolution transmission electron microscopy analysis clearly revealed that the anisotropic structures are single crystalline in nature. The stabilization of certain crystallographic faces of anisotropic gold nanostructures by amines is invoked to explain the formation of these structures.}, issn = {0974-3626}, doi = {10.1007/s12039-021-01952-z}, author = {Prasad, V, Bhagavatula L. and Sivasankaran, Prathap Chandran and Patel, Pitambar and Malekar, V, Pushpa and Maya, V, K. and Ramana, V, Chepuri} } @article {47605, title = {Synthesis of four diastereomers of notoryne and their C-13 NMR chemical shifts analysis}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {SEP}, pages = {76}, type = {Article}, abstract = {In this manuscript we document the details of the synthesis of four diastereomers of notoryne. The synthesis of one of the diastereomer having a similar relative stereochemistry of substituents on the both THF rings like notoryne, however, being the relative stereochemistry between the bridging carbon of these two THF units is changed from anti to syn has been executed mainly to learn how the ring carbon chemical shifts vary with this change. Interestingly, the deviations are found mainly for the carbons of THF ring that bears the Br-group. In addition to this isomer, three more diastereomers having the relative stereochemistry of substituents on either of the THF rings varied have been also synthesized. All four diastereomers have been subjected for extensive NMR studies and their C-13 NMR chemical shifts have been compared with notoryne and laurendecumenyne B. In addition, chemical shifts for the four diastereomers along with these natural products were calculated with the help of DFT calculations and compared to the experimentally obtained chemical shift values.}, issn = {0974-3626}, doi = {10.1007/s12039-021-01929-y}, author = {Senapati, Sibadatta and Das, Shyamsundar and Dixit, Ruchi and Vanka, Kumar and Ramana, V, Chepuri} } @article {47316, title = {Synthesis of gold and silver nanoparticles using Phlogacanthus Thyrsiformis extracts-its phytochemical screening and anti-oxidant studies}, journal = {Materials Today-Proceedings}, volume = {43}, year = {2021}, month = {JAN}, pages = {2805-2809}, type = {Proceedings Paper}, abstract = {
Phlogacanthus Thyrsiformis is a shrub belonging to the Acanthaceae family, normally found in the northeastern parts of India, Nepal, Burma, Indo-Chinese region and Indonesia. It is used as a cure for diarrhoea, dysentery, cholera, burns, boils, high blood pressure, sprains and body pains. Silver and gold nanoparticles were synthesized from the extracts of the leaves of this plant as the some biomolecules, known as secondary metabolites, present in plant extracts can be used to reduce metal ions to nanoparticles. The contents of the leaves were extracted in various solvents and the tests for the presence of secondary metabolites were carried out. The gold and silver nanoparticles synthesized using the plant extracts and characterized using TEM, SEM techniques and the phytochemical screening tests were done for different extracts. The anti-oxidant studies of the several extracts were carried out. (C) 2020 Elsevier Ltd. All rights reserved.
}, keywords = {Anti-oxidant studies, Nanoparticles, Phligacanthus thyrsiformis, Phytochemical Studies, Secondary metabolites}, issn = {2214-7853}, doi = {10.1016/j.matpr.2020.08.798}, author = {Singh, Avinash Thounaojam and Shaikh, Iqbal N. and Rale, Madhura Vijay} } @article {47372, title = {Synthesis of graphene from activated carbon at liquid nitrogen temperature and its detailed structural analysis}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {127}, year = {2021}, month = {MAY}, pages = {319}, type = {Article}, abstract = {
The present study deals with the synthesis of graphene using thermal quenching of pre-heated activated carbon (a-C) (1370 K for 3 h) at liquid nitrogen temperature and its detailed structural analysis using XRD, TEM, FTIR and Raman spectroscopy. The analysis of lattice parameters (L-a, L-c,L- and d) of constituent nanographitic domains using XRD shows restoration of graphene-like structure in the resultant product (a-CL). TEM image reveals porosity and partially crystallinity (from SAED) in a-C. While thin layers of graphene are observed in the TEM images of a-CL Deconvoluted Raman spectra have been used to investigate the evolution of crystalline behaviour of a-C with temperature in view of Ferrari and Robertson{\textquoteright}s three-stage model. The evolution of G peak and increase in I-D/I-G reveals restoration of crystallinity in a-CL. The development of the D peak indicates disordering of graphite but ordering of amorphous carbon. The reported method is technologically beneficial for graphene synthesis for large number of applications such as supercapacitors, H-2 storage, gas separation and purification.
}, keywords = {activated carbon, Amorphous carbon, graphene, H-2 storage applications, Raman spectroscopy, Supercapacitors}, issn = {0947-8396}, doi = {10.1007/s00339-021-04416-w}, author = {Sharma, Preeti and Sharma, Geeta and Punia, Rajesh} } @article {47692, title = {Synthesis of new 2-(thiazol-4-yl)thiazolidin-4-one derivatives as potential anti-mycobacterial agents}, journal = {Bioorganic Chemistry}, volume = {115}, year = {2021}, month = {OCT}, pages = {105192}, type = {Article}, abstract = {To search for potent antimycobacterial lead compounds, a new series of 3-substituted phenyl-2-(2-(substituted phenyl)thiazol-4-yl) thiazolidin-4-one (5a-t) derivatives have been synthesized by the condensation of 2 substituted phenyl thiazole-4-carbaldehyde with aromatic amine followed by cyclocondensation with thioglycolic acid. The structure of the newly synthesized 2-(thiazol-4-yl)thiazolidin-4-one derivatives were characterized by the spectroscopic analysis. The synthesized compounds were screened for antimycobacterial activity against Mycobacterium tuberculosis H37Ra (MTB) (ATCC 25177) and Mycobacterium bovis BCG (BCG, ATCC 35743). Most of the 2-(thiazol-4-yl)thiazolidin-4-one derivatives showed good to excellent antimycobacterial activity against both the Mtb strains. Nine derivatives 5c, 5g, 5j, 5m, 5n, 5o, 5p, 5s, and 5t showed excellent activity against M. bovis BCG with MIC 4.43 to 24.04 mu M were further evaluated for the cytotoxicity activity against HeLa A549, and HCT-116 cell lines and showed no significant cytotoxic activity at the maximum concentration evaluated. The potential antimycobacterial activities enforced that the thiazolyl-thiazolidin-4-one derivatives could lead to compounds that could treat tuberculosis.}, keywords = {Cytotoxicity, Mycobacterium tuberculosis, Thiazole, Thiazolidin-4-one}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2021.105192}, author = {Abhale, Yogita K. and Shinde, Abhijit and Shelke, Monika and Nawale, Laxman and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {47400, title = {Synthetic heparan sulfate ligands for vascular endothelial growth factor to modulate angiogenesis}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {APR }, pages = {3516-3519}, type = {Article}, abstract = {
We report the discovery of a potential heparan sulfate (HS) ligand to target several growth factors using 13 unique HS tetrasaccharide ligands. By employing an HS microarray and SPR, we deciphered the crucial structure-binding relationship of these glycans with the growth factors BMP2, VEGF(165), HB-EGF, and FGF2. Notably, GlcNHAc(6-O-SO3-)-IdoA(2-O-SO3-) (HT-2,6S-NAc) tetrasaccharide showed strong binding with the VEGF(165) growth factor. In vitro vascular endothelial cell proliferation, migration and angiogenesis was inhibited in the presence of VEGF(165) and HT-2,6S-NAc or HT-6S-NAc, revealing the potential therapeutic role of these synthetic HS ligands.
}, issn = {1359-7345}, doi = {10.1039/d1cc00964h}, author = {Jain, Prashant and Shanthamurthy, Chethan D. and Leviatan Ben-Arye, Shani and Yehuda, Sharon and Nandikol, Sharvani S. and Thulasiram, V, Hirekodathakallu and Padler-Karavani, Vered and Kikkeri, Raghavendra} } @article {47662, title = {Systematic search for a predictor for the clinical observables of alzheimer{\textquoteright}s disease}, journal = {Journal of Physical Chemistry B}, volume = {125}, year = {2021}, month = {NOV }, pages = {12177-12186}, type = {Article}, abstract = {One of the prevailing life-threatening incurable neurodegenerative diseases that are presently endangering human society as a whole, and hence, baffling the entire spectrum of the scientific and pharmaceutical world, is Alzheimer{\textquoteright}s disease (AD). AD is a manifestation of self-assembly of both wild-type (sporadic) and mutated (familial) forms of the amyloid-beta peptide, a proteolytic product of the amyloid precursor protein, where the self-assembly results in the genesis of pathogenic fibrillar aggregates. Currently prevailing diagnostic and hence therapeutic challenges originate from the unavailability of a specific predictor for clinical observables. The continuous emergence of novel pathogenic mutants with unpredictable phenotypes adds immensely to the nonspecific nature of the problem. The current research reports a simple physical parameter, the binding affinity of a protofilament to its protofibril, which predicts the clinical observables of familial AD with astounding accuracy and more importantly, without any adjustable parameters.}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c06725}, author = {Das, Atanu} } @article {47597, title = {Tandem acceptorless dehydrogenative coupling-decyanation under nickel catalysis}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {JUN}, pages = {7552-7562}, type = {Article}, abstract = {The development of new catalytic processes based on abundantly available starting materials by cheap metals is always a fascinating task and marks an important transition in the chemical industry. Herein, a nickel-catalyzed acceptorless dehydrogenative coupling of alcohols with nitriles followed by decyanation of nitriles to access diversely substituted olefins is reported. This unprecedented C=C bond-forming methodology takes place in a tandem manner with the formation of formamide as a sole byproduct. The significant advantages of this strategy are the low-cost nickel catalyst, good functional group compatibility (ether, thioether, halo, cyano, ester, amino, N/O/S heterocycles; 43 examples), synthetic convenience, and high reaction selectivity and efficiency.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00592}, author = {Midya, Siba P. and Subaramanian, Murugan and Babu, Reshma and Yadav, Vinita and Balaraman, Ekambaram} } @article {47629, title = {Thermal stability of an endohedrally doped aluminum nanoclusters: a BOMD study}, journal = {Theoretical Chemistry Accounts}, volume = {140}, year = {2021}, month = {SEP}, pages = {132}, type = {Article}, abstract = {In this article, thermal stability of doped Al-13 nanoclusters has been systematically investigated within the framework of density functional theory (DFT). To explain thermal stability, simulations have been carried out over a temperature range from 300 to 1100 K using Born-Oppenheimer molecular dynamics (BOMD). The atomic displacements have been quantified by calculating delta(rms,) MSD and epsilon(pro.) The thermal stability of different clusters is explained using underlined electronic properties such as HOMO-LUMO, charges and bond length.}, keywords = {BOMD, Bond length fluctuations, Endohedral doping, Mean squared ionic displacements (MSD), Nanoclusters, Root mean squared}, issn = {1432-881X}, doi = {10.1007/s00214-021-02829-7}, author = {Singh, Chandrodai Pratap and Samal, Pragnya Paramita and Krishnamurty, Sailaja} } @article {47690, title = {Three in one: triple G-C-T base-coded brahma nucleobase amino acid: synthesis, peptide formation, and structural features}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {NOV }, pages = {15689-15694}, type = {Article}, abstract = {This note reports the synthesis and peptide formation of a novel triple G-C-T nucleobase amino acid (NBA) building block featuring three recognition faces: DDA (G mimic), DAA (C mimic), and ADA (T mimic). Readily obtainable in multigram scale in a remarkably easy one-step reaction, this unique NBA building block offers scope for wide ranging applications for nucleic acid recognition and nucleic acid peptide/protein interaction studies.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c01228}, author = {Wagh, Mahendra A. and Maity, Rahul and Bhosale, Rohit J. and Semwal, Divyam and Tothadi, Srinu and Vaidhyanathan, Ramanathan and Sanjayan, Gangadhar J.} } @article {47672, title = {Total synthesis of a hypothetical macroketone of migrastatin}, journal = {European Journal of Organic Chemistry}, volume = {2021}, year = {2021}, month = {JUN }, pages = {3050-3053}, type = {Article}, abstract = {Danishefsky{\textquoteright}s macroketone, a simplified analogue of natural product Migrastatin, is one of the lead compounds with potent cancer cell migration inhibition potential. Different biological assays suggest fascin protein as the potential target. Although it was indicated through X-ray co-crystallography where the concerned macroketone analogue was found to bind in the actin-binding sites of fascin, there was a structural discrepancy, as the X-ray co-crystal structure suggested an E-olefin along with inversion of methyl stereochemistry from that of Danishefsky{\textquoteright}s macroketone. Here, we have accomplished the total synthesis of the {\textquoteleft}hypothetical macroketone{\textquoteright} for the first time. The TiCl4 mediated vinylogous Mukaiyama aldol reaction is the key step in present synthesis.}, keywords = {Hypothetical mecroketon, Metastasis, Migrastatin, RCM, vinylogous Mukaiyama aldol reaction (VMAR)}, issn = {1434-193X}, doi = {10.1002/ejoc.202100484}, author = {Choudhury, Rahul and Reddy, D. Srinivasa} } @article {47705, title = {Total synthesis of the pseudoindoxyl class of natural products}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {OCT}, pages = {7970-7994}, type = {Review}, abstract = {The pseudoindoxyl sub-structural motif, amongst the large set of the indole class of alkaloids, represents a unique subset of the oxygenated indole class of the alkaloid family. A majority of this class of natural products contains complex bridged/polycyclic scaffolds with interesting biological profiles. They are thus attractive synthetic targets. Starting from 1963, twenty-eight natural products having the pseudoindoxyl scaffold have been isolated, among which the synthesis of 13 natural products has been accomplished. In this review, we highlight the completed as well as the formal total synthesis of the natural products with a spiro-pseudoindoxyl ring, with a focus on their development. The challenges and the future perspective based on the recent developments in the field will also be discussed. We strongly believe that this review will not only update but also attract the attention of researchers in dealing with the synthesis of pseudoindoxyl compounds.}, issn = {1477-0520}, doi = {10.1039/d1ob01285a}, author = {Dhote, Pawan S. and Patel, Pitambar and Vanka, Kumar and Ramana, Chepuri V.} } @article {47402, title = {Total synthesis of twelve membered resorcyclic acid lactones, (R)-penicimenolide A, (R)-resorcyclide and (R)-dihydroresorcyclide}, journal = {Tetrahedron}, volume = {85}, year = {2021}, month = {APR}, pages = {132059}, type = {Article}, abstract = {
Resorcyclic Acid Lactones or RALs are a class of fungal secondary polyketides isolated from a variety of fungal strains like Lasiodiplodia theobromae, Penicillium sp., Syncephalastrum racemosum etc. This class of macrocyclic lactones are found to exhibit a broad spectrum of biological activities and are of significant synthetic importance. Herein, we report the first total synthesis of (R)-penicimenolide A, twelve membered RAL (RAL12) isolated from Penicillium sp. (NO. SYP-F-7919). Besides, we also report the total synthesis of two other members, namely, (R)-trans-resorcyclide and (R)-dihydroresorcyclide. In the course of synthesis, we have utilized ring closing metathesis (RCM) as the key step in constructing the core macrolactone scaffold. (C) 2021 Elsevier Ltd. All rights reserved.
}, keywords = {Macrocycle, Natural product, organic synthesis, Total synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2021.132059}, author = {Das, Pronay and Reddy, D. Srinivasa} } @article {47055, title = {Toward pH independent oxygen reduction reaction by polydopamine derived 3D interconnected, iron carbide embedded graphitic carbon}, journal = {ACS Applied Materials \& Interfaces}, volume = {13}, year = {2021}, month = {FEB }, pages = {8147-8158}, type = {Article}, abstract = {
Recent advancements on the development of nonprecious electrocatalysts with iron (Fe) incorporated active centers have generated confidence on realizing cost-effective proton exchange membrane fuel cells (PEMFCs). However, most of these catalysts that emerged as a substitution for the platinum supported on carbon (Pt/C) catalysts in oxygen reduction reaction (ORR) are active under basic conditions, and their feasibility in PEMFCs remains as a challenge. In this scenario, this work reports the synthesis of a Pt-free oxygen reduction electrocatalyst prepared by the annealing of polydopamine grown melamine foam. The prepared catalyst has a three-dimensional (3D) interconnected bilayer network structure possessing the carbon nitride backbone wrapped by graphitic carbon layer bearing iron carbides and nitrides as the active centers (3DFePDC). Interestingly, the 3D-FePDC catalyst displayed an ORR activity both under acidic and basic conditions. Whereas the ORR performance of 3D-FePDC closely matches that of the commercial Pt/C in the basic medium, it displays only a low overpotential value of 60 mV under acidic conditions compared to its Pt counterpart. The kinetics of ORR on 3DFePDC is found to be similar to the four-electron (4e) reduction pathway displayed by Pt/C. Testing of a PEMFC in a single cell mode by using 3D-FePDC as the cathode catalyst and Nafion membrane delivered a maximum power density of 278 mW cm(-2), which is a promising value expected from a system based on the nonprecious metal cathode. Ultimately, as a cost-effective catalyst that can effectively perform irrespective of the pH conditions, 3D-FePDC offers significant prospects in the areas like fuel cells and metal-air batteries which work in acidic and/or basic conditions.
}, keywords = {acidic medium, electrocatalyst, fuel cell, graphitic carbon, Iron carbide, nitrogen doping, nonprecious metal, oxygen reduction reaction}, issn = {1944-8244}, doi = {10.1021/acsami.0c18036}, author = {Gangadharan, Pranav K. and Pandikassala, Ajmal and Kurungot, Sreekumar} } @article {47623, title = {Towards sustainable continuous production of azo dyes: possibilities and techno-economic analysis}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {SEP }, pages = {6614-6624}, type = {Article}, abstract = {A novel continuous process for synthesizing azo dyes using a bubble column reactor is reported. Continuous experiments were successfully performed for Sudan-I dye and Solvent Yellow 16 dye with a yield [and productivity] of 92.04 +/- 3.50\% [1.68 +/- 0.13 kg day(-1)] and 96.60 +/- 2.18\% [1.92 +/- 0.04 kg day(-1)], respectively. Experiments were performed at a higher slurry concentration similar to 5\% (w/w) without any clogging. The results were extended for performing a detailed techno-economic analysis for 5 TPD Sudan-I azo dye production as a case study. The results indicate that the cost of the continuous process is almost 4.68 times lower than that of the corresponding batch process. Furthermore, the footprint for a continuous plant can be lowered by 2.4 to 4.5 times when compared to the batch process depending on different refilling strategies for feed storage tanks. A continuous process may require 39-42\% less water than the industrial batch process.}, issn = {1463-9262}, doi = {10.1039/d1gc01133b}, author = {Shukla, Chinmay A. and Kute, Mahesh S. and Kulkarni, Amol A.} } @article {47584, title = {Trace metals in cellular metabolism and their impact on recombinant protein production}, journal = {Process Biochemistry}, volume = {110}, year = {2021}, month = {NOV}, pages = {251-262}, type = {Review}, abstract = {Replacement of serum and increasing use of chemically defined media demands optimisation of trace metal components for biomanufacturing applications. Trace metal availability can impact culture performance, productivity and product quality. Several trace metals are cofactors of metabolic and other enzymes, and thus their availability regulates cellular metabolism. Additionally, they can also affect the availability of other trace metals and stability of some medium components. Such factors also need to be considered while formulating trace metal concentrations in the culture medium. Due to their very low concentrations, these components are susceptible to substantial variability arising from contaminants from other raw material and leaching from process equipment and can contribute to process variability. Understanding the role and impact of trace metals will help develop strategies to achieve targeted process parameters and increase process robustness vis-{\textquoteleft}a-vis any lot-to-lot variability in trace metal concentration in culture medium. This review describes the role of trace metals, particularly manganese, copper and zinc, in central carbon metabolism to aid in understanding the basis of metal-mediated effects on culture performance and provides a comprehensive review of the reported impact of trace metals on CHO cell culture performance and recombinant protein quality.}, keywords = {Chinese hamster ovary cells, glycosylation, Medium formulation, Process variability, Product quality, Recombinant proteins, Trace metals}, issn = {1359-5113}, doi = {10.1016/j.procbio.2021.08.006}, author = {Prabhu, Anuja and Gadgil, Mugdha} } @article {47604, title = {Transition of a deep eutectic solution to aqueous solution: a dynamical perspective of the dissolved solute}, journal = {Journal of Physical Chemistry Letters}, volume = {12}, year = {2021}, month = {SEP}, pages = {8784-8789}, type = {Article}, abstract = {Disruption of the deep eutectic solvent (DES) nanostructure around the dissolved solute upon addition of water is investigated by polarization-selective two-dimensional infrared spectroscopy and molecular dynamics simulations. The heterogeneous DES nanostructure around the solute is partially retained up to 41 wt \% of added water, although water molecules are gradually incorporated in the solute{\textquoteright}s solvation shell even at lower hydration levels. Beyond 41 wt \%, the solute is observed to be preferentially solvated by water. This composition denotes the upper hydration limit of the deep eutectic solvent above which the solute senses an aqueous solvation environment. Interestingly, our results indicate that the transition from a deep eutectic solvation environment to an aqueous one around the dissolved solute can happen at a hydration level lower than that reported for the {\textquoteleft}{\textquoteleft}water in DES{\textquoteright}{\textquoteright} to {\textquoteleft}{\textquoteleft}DES in water{\textquoteright}{\textquoteright} transition.}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.1c02118}, author = {Sakpal, Sushil S. and Deshmukh, Samadhan H. and Chatterjee, Srijan and Ghosh, Deborin and Bagchi, Sayan} } @article {47613, title = {Translating SARS-CoV-2 wastewater-based epidemiology for prioritizing mass vaccination: a strategic overview}, journal = {Environmental Science and Pollution Research}, volume = {28}, year = {2021}, month = {AUG}, pages = {42975-42980}, type = {Article}, abstract = {The inception of the novel coronavirus has forced the world into despair. Rapid progress has been made in addressing the situation, and various clinical diagnostic methods were developed for early detection of transmission. However, with a rapidly increasing number of infected populations worldwide, the testing of each individual was impractical. The wastewater-based epidemiology (WBE) has been implemented to evaluate disease outbreaks as an early warning system for pandemic preparedness. Numerous studies reported the presence of SARS-CoV-2 in the open drains and STPs across the globe via recovery efficiency of surrogate virus from existing virus concentration protocols. However, the such reported studies did not justify the use of WBE to identify or pinpoint the specific hotspots of transmission which could be prioritized for rapid efforts to contain or accelerate active vaccination efforts. Identifying precise locations of hotspots could be an essential aspect in controlling the outbreak and surge of wave by prioritizing the region for primary outbreak response. This article focuses on the issues relating to the primary focus for WBE that can be adapted, and its suitability for utilization in the mass vaccination program is discussed. Effective use of WBE information in terms of source tracking might be crucial as we move towards mass vaccination to control outbreaks of COVID-19 pandemic.}, keywords = {Epidemiology, Policy making, SARS-CoV-2, Vaccination, wastewater}, issn = {0944-1344}, doi = {10.1007/s11356-021-15169-7}, author = {Dharmadhikari, Tanmay and Yadav, Rakeshkumar and Dastager, Syed and Dharne, Mahesh} } @article {47064, title = {Triazine-based janus G-C nucleobase as a building block for self-assembly, peptide nucleic acids, and smart polymers}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {FEB }, pages = {3186-3195}, type = {Article}, abstract = {
This communication reports on the utility of a triazine-based self-assembling system, reminiscent of a Janus G-C nucleobase, as a building block for developing (1) supramolecular polymers, (2) peptide nucleic acids (PNAs), and (3) smart polymers. The strategically positioned self-complementary triple H-bonding arrays DDA and AAD facilitate efficient self-assembly, leading to a linear supramolecular polymer.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c02530}, author = {Meena, Chhuttan L. and Singh, Dharmendra and Kizhakeetil, Bhavya and Prasad, Manasa and George, Malini and Tothadi, Srinu and Sanjayan, Gangadhar J.} } @article {47683, title = {Tuning of alpha-silyl carbocation reactivity into enone transposition: application to the synthesis of peribysin D, E-volkendousin, and E-guggulsterone}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {SEP }, pages = {6642-6647}, type = {Article}, abstract = {A reliable method for enone transposition has been developed with the help of silyl group masking. Enantio-switching, substituent shuffling, and Z-selectivity are the highlights of the method. The developed method was applied for the first total synthesis of peribysin D along with its structural revision. Formal synthesis of E-guggulsterone and E-volkendousin was also claimed using a short sequence.}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c02173}, author = {Athawale, Paresh R. and Zade, Vishal M. and Krishna, Gamidi Rama and Reddy, D. Srinivasa} } @article {47592, title = {Tuning the selectivity of CO2 hydrogenation using ceramic hollow fiber catalytic modules}, journal = {Reaction Chemistry \& Engineering}, volume = {6}, year = {2021}, month = {SEP }, pages = {1655-1665}, type = {Article}, abstract = {The unique structural features and advantageous pore distributions of alumina hollow fibers can be exploited to tune the selectivity in heterogeneous catalysis. Formation of a finger-like cavity structure is the unique characteristic of the phase inversion method, which provides a larger surface area to volume ratio desirable for catalytic reactions. This feature, along with a highly porous sandwiched skin layer, makes this architecture superior to conventional powder catalysts or other structured catalyst forms like monoliths. Alumina hollow fibers are prepared by the modified phase inversion method and characterized for their pore size and distribution. Ni metal nanoparticles are uniformly deposited in the Al2O3 hollow fibers to prepare a Ni/Al2O3 catalyst and tested for the CO2 methanation reaction. Suitable reactor and catalyst loading methods are designed and optimized to achieve higher CO2 to methane conversion in a temperature range of 225 to 400 degrees C. The alpha-alumina phase, which is usually reported to be a poor support for Ni in CO2 methanation in the conventional fixed bed configuration, showed high activity when modulated as hollow fibers. Also, the selectivity to CH4 is enhanced and minimal CO formation is observed. The kinetic rate expressions are simulated for the prediction of methane and CO gas evolution at the outlet with temperature. The experimental results for the gas composition are in good agreement with the model predictions. The advantage of such a module reactor is explained based on the mass transfer limitations and consequently the reaction time constants arrived at from the predicted gas compositions.}, issn = {2058-9883}, doi = {10.1039/d1re00076d}, author = {Jogdand, Shunottara M. and Bedadur, Prachiti R. and Torris, Arun and Kharul, Ulhas K. and Naidu, V. Satyam and Devi, R. Nandini} } @article {47670, title = {Ultrasound assisted curcumin recovery from Curcuma aromatica: understanding the effect of different operating parameters}, journal = {Chemical Engineering and Processing-Process Intensification}, volume = {169}, year = {2021}, month = {DEC}, pages = {108604}, type = {Article}, abstract = {The present study deals with intensified extraction of curcumin from Curcuma aromatica by employing ultrasound-assisted extraction (UAE) approach also elucidating comparison with the conventional batch extraction to highlight the intensification benefits based on the usage of ultrasound. Understanding into the effect of operational parameters like type of solvent, extraction temperature, solid to solvent ratio and raw material size distribution as well as the equipment operating conditions as frequency and power on the extraction yield has been developed. Based on the results for extraction yield, the optimum conditions for UAE approach were 40 degrees C as temperature, 1:30 as solid to solvent ratio, 0.09 mm as the mean particle size, 240 W as ultrasonic power, 22 kHz as ultrasonic frequency and ethanol as the most suitable solvent. Under these optimum conditions, the highest extraction yield of 73.18\% was achieved in 2 h whereas batch extraction for 14 h resulted in 52.31\% yield clearly demonstrating the intensification due to ultrasound. Peleg{\textquoteright}s model was applied to explain the extraction kinetics of curcumin and the proposed model satisfactorily predicted the rates of extraction of cur cumin. Overall, UAE proved to be a better technique in terms of lesser time, lesser heating requirement and additional extraction yield.}, keywords = {Cavitation, Curcuma aromatica, curcumin, Intensification, Kinetic modelling, Ultrasound assisted extraction}, issn = {0255-2701}, doi = {10.1016/j.cep.2021.108604}, author = {Shirsath, Sachin R. and Sable, Sunil S. and Gaikwad, Shashank G. and Gogate, Parag R.} } @article {47036, title = {Unactivated alkyl halides in transition-metal-catalyzed C-H bond alkylation}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {MAR }, pages = {3268-3292}, type = {Review}, abstract = {
Alkylation represents an important organic transformation in molecular science to develop privileged alkylated arenes and heteroarenes. Especially, the direct C-H bond alkylation using unactivated alkyl halides is a straightforward and attractive approach from both the step-economy and chemoselectivity perspectives. Substantial progress has been made in the direct alkylation using primary, secondary, and tertiary alkyl halides along with the methylation and fluoroalkylation. This Review broadly summarizes the transition-metal-catalyzed alkylations of C-H bonds on various arenes and heteroarenes with unactivated alkyl halides until October 2020. On the basis of the substrates utilized for alkylation, the Review is divided into two major sections: alkylation of arenes and alkylation of heteroarenes.
}, keywords = {(hetero)arenes, Alkylation, C-H activation, transition metals, unactivated alkyl halides}, issn = {2155-5435}, doi = {10.1021/acscatal.0c05580}, author = {Ankade, Shidheshwar B. and Shabade, Anand B. and Soni, Vineeta and Punji, Benudhar} } @article {47046, title = {Unbiased phenotype-based screen identifies therapeutic agents selective for metastatic prostate cancer}, journal = {Frontiers in Oncology}, volume = {10}, year = {2021}, month = {MAR }, pages = {594141}, type = {Article}, abstract = {
In American men, prostate cancer is the second leading cause of cancer-related death. Dissemination of prostate cancer cells to distant organs significantly worsens patients{\textquoteright} prognosis, and currently there are no effective treatment options that can cure advanced-stage prostate cancer. In an effort to identify compounds selective for metastatic prostate cancer cells over benign prostate cancer cells or normal prostate epithelial cells, we applied a phenotype-based in vitro drug screening method utilizing multiple prostate cancer cell lines to test 1,120 different compounds from a commercial drug library. Top drug candidates were then examined in multiple mouse xenograft models including subcutaneous tumor growth, experimental lung metastasis, and experimental bone metastasis assays. A subset of compounds including fenbendazole, fluspirilene, clofazimine, niclosamide, and suloctidil showed preferential cytotoxicity and apoptosis towards metastatic prostate cancer cells in vitro and in vivo. The bioavailability of the most discerning agents, especially fenbendazole and albendazole, was improved by formulating as micelles or nanoparticles. The enhanced forms of fenbendazole and albendazole significantly prolonged survival in mice bearing metastases, and albendazole-treated mice displayed significantly longer median survival times than paclitaxel-treated mice. Importantly, these drugs effectively targeted taxane-resistant tumors and bone metastases - two common clinical conditions in patients with aggressive prostate cancer. In summary, we find that metastatic prostate tumor cells differ from benign prostate tumor cells in their sensitivity to certain drug classes. Taken together, our results strongly suggest that albendazole, an anthelmintic medication, may represent a potential adjuvant or neoadjuvant to standard therapy in the treatment of disseminated prostate cancer.
}, keywords = {bone, carcinoma, drug-screen, Metastasis, Prostate}, issn = {2234-943X}, doi = {10.3389/fonc.2020.594141}, author = {Chung, Ivy and Zhou, Kun and Barrows, Courtney and Banyard, Jacqueline and Wilson, Arianne and Rummel, Nathan and Mizokami, Atsushi and Basu, Sudipta and Sengupta, Poulomi and Shaikh, Badaruddin and Sengupta, Shiladitya and Bielenberg, Diane R. and Zetter, Bruce R.} } @article {47365, title = {Unified approach for the total aynthesis of Bis-THF C-15 acetogenins: a chloroenyne from laurencia majuscula, laurendecumenyne B and laurefurenynes A/B}, journal = {Synthesis-Stuttgart}, year = {2021}, month = {MAY}, type = {Article; Early Access}, abstract = {
A highly diastereoselective total synthesis of several bis-THF C-15 acetogenin natural products, chloroenyne from Laurencia majuscula, laurendecumenyne B, and laurefurenyries A/B, is reported. Additionally the synthesis of an advanced intermediate reported in the earlier total synthesis of (E/Z)-elatenynes (formal synthesis) is described. The salient features in the synthesis include epoxide opening, Birch reduction, Sharpless asymmetric dihydroxylation-cycloetherification, S(N)2 halogenation, and a relay cross metathesis.
}, keywords = {bis-THF C-15 acetogenins, carbohydrate building block, relay-cross-metathesis, S(N)2 halogenation, Sharpless asymmetric dihydroxylation-cycloetherification}, issn = {0039-7881}, doi = {10.1055/a-1500-1407, Early Access Date = MAY 2021}, author = {Senapati, Sibadatta and Unmesh, Nivedya A. and Shet, Manoj N. and Ahmad, Iram and Ajikumar, Nandu and Ramana, Chepuri V.} } @article {47614, title = {Unified approach for the total synthesis of Bis-THF C-15 acetogenins: a chloroenyne from laurencia majuscula, laurendecumenyne B and laurefurenynes A/B}, journal = {Synthesis-Stuttgart}, volume = {53}, year = {2021}, month = {AUG }, pages = {2903-2910}, type = {Article}, abstract = {A highly diastereoselective total synthesis of several bis-THF C-15 acetogenin natural products, chloroenyne from Laurencia majuscula, laurendecumenyne B, and laurefurenyries A/B, is reported. Additionally the synthesis of an advanced intermediate reported in the earlier total synthesis of (E/Z)-elatenynes (formal synthesis) is described. The salient features in the synthesis include epoxide opening, Birch reduction, Sharpless asymmetric dihydroxylation-cycloetherification, S(N)2 halogenation, and a relay cross metathesis.}, keywords = {bis-THF C-15 acetogenins, carbohydrate building block, relay-cross-metathesis, S(N)2 halogenation, Sharpless asymmetric dihydroxylation-cycloetherification}, issn = {0039-7881}, doi = {10.1055/a-1500-1407}, author = {Senapati, Sibadatta and Unmesh, Nivedya A. and Shet, Manoj N. and Ahmad, Iram and Ajikumar, Nandu and Ramana, Chepuri V.} } @article {47696, title = {A universal framework for detecting cis-regulatory diversity in DNA regions}, journal = {Genome Research}, volume = {31}, year = {2021}, month = {SEP}, pages = {1646-1662}, type = {Article}, abstract = {High-throughput sequencing-based assays measure different biochemical activities pertaining to gene regulation, genomewide. These activities include transcription factor (TF)-DNA binding, enhancer activity, open chromatin, and more. A major goal is to understand underlying sequence components, or motifs, that can explain the measured activity. It is usually not one motif but a combination of motifs bound by cooperatively acting proteins that confers activity to such regions. Furthermore, regions can be diverse, governed by different combinations of TFs/ motifs. Current approaches do not take into account this issue of combinatorial diversity. We present a new statistical framework, cisDIVERSITY, which models regions as diverse modules characterized by combinations of motifs while simultaneously learning the motifs themselves. Because cisDIVERSITY does not rely on knowledge of motifs, modules, cell type, or organism, it is general enough to be applied to regions reported by most high-throughput assays. For example, in enhancer predictions resulting from different assays-GRO-cap, STARR-seq, and those measuring chromatin structure-cisDIVERSITY discovers distinct modules and combinations of TF binding sites, some specific to the assay. From protein-DNA binding data, cisDIVERSITY identifies potential cofactors of the profiled TF, whereas from ATAC-seq data, it identifies tissue-specific regulatory modules. Finally, analysis of single-cell ATAC-seq data suggests that regions open in one cell-state encode information about future states, with certain modules staying open and others closing down in the next time point.}, issn = {1088-9051}, doi = {10.1101/gr.274563.120}, author = {Biswas, Anushua and Narlikar, Leelavati} } @article {47450, title = {Unprecedented stability in Au@Co core-shell bimetallic catalyst supported on SBA-15 (Au@Co/SBA-15) for atmospheric pressure CO hydrogenation}, journal = {Materials Today Sustainability }, volume = {13}, year = {2021}, month = {SEP}, pages = {100068}, type = {Article}, abstract = {
Bimetallic nanoparticles demonstrating\ synergistic effect\ (electronic or geometric modification) often show distinct chemical and physical properties compared with the parent metals. In catalysis, this provides opportunities to engineer solid materials with appreciable activity, selectivity, and stability. In the present study, we have synthesized Au@Co core{\textendash}shell bimetallic nanoparticles by colloidal synthesis approach with a focus to study and explore the synergistic effect between Au and Co in Au@Co\ bimetallic catalyst\ supported on SBA-15 on\ Fischer Tropsch\ (FT) reaction. The deactivation of catalyst is a significant drawback in CO hydrogenation (syngas conversion/FT synthesis), and the present study provides the design of a new material, which resists the surface cobalt oxide formation\ and inactive coke formation and gives efficient CO conversion with high stability.
}, doi = {10.1016/j.mtsust.2021.100068}, author = {Jain, P. and Chimote, M. and Vinod, C. P.} } @article {47654, title = {Unsymmetrical sp(2)-sp(3) disilenes}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {SEP }, pages = {20706-20710}, type = {Article}, abstract = {Disilenes with differently coordinated silicon atoms are not known. Here, we have shown the high yield synthesis of a range of disilenes (2-4 and 6) upon reaction of a hypersilyl silylene PhC(NtBu)(2)SiSi(SiMe3)(3) (1) with aliphatic chlorophosphines. The most striking characteristic of these disilenes is the presence of two differently coordinated Si atoms (one is three-coordinated, the other four-coordinated). The analogous reaction with Ph2PCl did not afford the desired disilene, but, surprisingly, led to the first tetraphosphinosilane (8). DFT calculations were performed to understand the bonding in disilenes and differences in reactivity of the complexes.}, keywords = {chlorophosphine, DFT, disilene, hypersilylsilylene}, issn = {1433-7851}, doi = {10.1002/anie.202107847}, author = {Bisai, Milan Kumar and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47105, title = {Unveiling the roles of lattice strain and descriptor species on pt-like oxygen reduction activity in Pd-Bi catalysts}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {JAN}, pages = {800-808}, type = {Article}, abstract = {
A facile non-template-assisted mechanical ball milling technique was employed to generate a PdBi alloy catalyst. The induced lattice strain upon the milling time caused a shift of the d-band center, thereby enhancing the oxygen reduction reaction (ORR) catalytic activity. Additionally, the Pd-O reduction potential and adsorbed OH coverage used as descriptors stipulated the cause of the enhanced ORR activity upon the increased milling interval. Redox properties of surface Pd are directly correlated with a positive shift in the Pd-O reduction potential and OH surface coverage. Hence, by deconvoluting the lattice strain and the role of the descriptor species we achieved a catalyst system with a specific activity 5.4X higher than that of commercial Pt/C, as well as an improved durability. The experimental observation is well-corroborated by a theoretical simulation done by inducing strain to the system externally.
}, keywords = {charge-transfer, electrocatalysis, fuel cell, Lattice strain, oxygen reduction, Pt-like activity}, issn = {2155-5435}, doi = {10.1021/acscatal.0c03415}, author = {Sarkar, Shreya and Ramarao, S. D. and Das, Tisita and Das, Risov and Vinod, C. P. and Chakraborty, Sudip and Peter, Sebastian C.} } @article {47679, title = {Upgrading lignin derived monomers over basic supported metal catalysts}, journal = {Fuel}, volume = {306}, year = {2021}, month = {DEC}, pages = {121588}, type = {Article}, abstract = {Catalytic upgradation of aromatic monomers derived from lignin depolymerization is of high interest for the production of sustainable fuels and chemicals. Basic support has potential to provide advantages of better substrate-support interaction and reduced coke formation. Hence, we report the effect of various basic supports for metal catalysts (Pt, Pd, Ru) on the upgradation of phenol, guaiacol and eugenol. The complete hydrogenation product is achieved due to the strong interaction of the substrate with catalyst. Phenol is converted (55\%) into cyclohexanol (49\% yield) with low loading of Pt catalyst (1 wt\%), supported by the higher TON of 1 wt\% Pt/NaX (TON = 14844) than 3 wt\% Pt/NaX (TON = 5128). Effect of basic support with moderate (NaX) and strong (CHT) basic strengths are corelated for the higher cyclohexanone formation. Presence of strong basic sites and higher TON of 3 wt\% C-HT (TON = 6806) directs the significant substrate-support interaction. Catalytic activity and recyclability are supported by the comparable performance of recycle runs and characterizations of the fresh and spent catalysts.}, keywords = {aromatic monomers, Hydrogenation, lignin, Solid bases, supported metal catalyst, Upgradation}, issn = {0016-2361}, doi = {10.1016/j.fuel.2021.121588}, author = {Chaudhary, Richa and Dhepe, Paresh L.} } @article {47463, title = {Uraria picta: a comprehensive review on evidences of utilization and strategies of conservation}, journal = {Journal of Phytology}, volume = {13}, year = {2021}, month = {APR}, pages = {41-48}, type = {Article}, abstract = {
Uraria\ picta\ (Jacq.) DC. (Prishnaparni) is one of the most important medicinal plants used in different traditional systems of medicines including the Ayurveda and Traditional Chinese medicine. The major use of this plant was found in the most popular Ayurvedic formulation {\textquotedblleft}Dashmula{\textquotedblright} and in several many other important Ayurvedic formulations. IUCN placed this woody herb in the least concern category as per version 3.1. It has extensive therapeutic uses and pharmacological activities. Though this plant is a source of many phytochemicals, the uses are uncertain because the raw plant parts or crude extracts are being used in all formulations. Therefore, extensive investigations are necessary to focus on the identification of these phytochemicals. It is an urgent need to give special attention to collecting various aspects and more efforts are required in all areas for utilization and conservation of this valuable medicinal herb. Herein, a compilation of all information with various aspects has been presented, including the authors published work on\ Uraria picta. This review pursues attention towards biological activity, phytochemical profile, utilization, propagation and conservation of\ Uraria picta.
}, doi = {10.25081/jp.2021.v13.7028}, author = {Bhusare, B. P. and Ahire, M. L. and John, C. K. and Nikam, T. D.} } @article {47713, title = {On the use of electronegativity and electron affinity based pseudo-molecular field descriptors in developing correlations for quantitative structure-activity relationship modeling of drug activities}, journal = {Chemical Biology \& Drug Design}, volume = {98}, year = {2021}, month = {AUG}, pages = {258-269}, type = {Article}, abstract = {For quantitative structure-activity relationship (QSAR) modeling in ligand-based drug discovery programs, pseudo-molecular field (PMF) descriptors using intrinsic atomic properties, namely, electronegativity and electron affinity are studied. In combination with partial least squares analysis and Procrustes transformation, these PMF descriptors were employed successfully to develop correlations that predict the activities of target protein inhibitors involved in various diseases (cancer, neurodegenerative disorders, HIV, and malaria). The results show that the present QSAR approach is competitive to existing QSAR models. In order to demonstrate the use of this algorithm, we present results of screening naturally occurring molecules with unknown bioactivities. The pIC(50) predictions can screen molecules that have desirable activity before assessment by docking studies.}, keywords = {drug discovery, electron affinity, Electronegativity, molecular field descriptors, partial least squares, QSAR}, issn = {1747-0277}, doi = {10.1111/cbdd.13895}, author = {Kunde, Pushkar D. and Ramkumar, Sudha and Kamble, Sanjay P. and RaviKumar, Ameeta and Kulkarni, Bhaskar D. and Kumar, V. Ravi} } @article {47076, title = {Utilizing the oxygen carrier property of cerium iron oxide for the low-temperature synthesis of 1,3-butadiene from 1-butene}, journal = {Catalysis Letters}, volume = {151}, year = {2021}, month = {OCT}, pages = {3057-3066}, type = {Article}, abstract = {
Low-temperature oxidative dehydrogenation (ODH) of 1-butene to 1,3-butadiene is one of the challenging reactions in the polymer industry. Towards this a highly dispersed cerium iron oxide was synthesized by citrate gel combustion method and employed for the synthesis of 1,3-butadiene (BD) from 1-butene. The reaction was carried out at low temperature under an oxygen-free atmosphere in a continuous flow mode fixed bed reactor. A decrease in the lattice parameters observed from PXRD and high-resolution TEM analysis proved that iron occupies cerium sites in the crystal lattice. XPS, TPR, and oxygen uptake studies quantified the nature and abundance of different oxygen species. ODH was observed through consuming lattice oxygens. The vacancies generated could be filled by re-oxidation with an external supply of oxygen which will restore the catalytic activity demonstrating the Mars van Krevelen mechanism. [GRAPHICS] .
}, keywords = {1, 1-butene, 3-butadiene, Cerium, iron, Lattice oxygen, oxidative dehydrogenation}, issn = {1011-372X}, doi = {10.1007/s10562-020-03512-5, Early Access Date = FEB 2021}, author = {Venugopalan, Aswathy T. and Kandasamy, Prabu and Gogoi, Pranjal and Ratneshkumar, Jha and Thirumalaiswamy, Raja} } @article {47102, title = {Visible-light-induced controlled oxidation of N-substituted 1,2,3,4-tetrahydroisoquinolines for the synthesis of 3,4-dihydroisoquinolin-1(2h)-ones and isoquinolin-1(2H)-ones}, journal = {Advanced Synthesis \& Catalysis}, volume = {363}, year = {2021}, month = {MAR }, pages = {1390-1400}, type = {Article}, abstract = {
A visible light-rose bengal-TBHP mediated, controlled oxidation of N-substituted 1,2,3,4-tetrahydroisoquinolines is developed for the synthesis of 3,4-dihydroisoquinolin-1(2H)-ones and isoquinolin-1(2H)-ones. The present method feature{\textquoteright}s a broad substrate scope, good functional group tolerances, and the products were prepared in good to excellent yields. The developed methodology further demonstrated in the synthesis of isoindolo[2,1-b] isoquinolin-5(7H)-one (topoisomerase-I inhibitor).
}, keywords = {2, 3, 4-Dihydroisoquinolin-1(2H)-one, 4-tetrahydroisoquinolines, Isoquinolin-1(2H)-one, N-substituted 1, Oxidation, Photocatalysis}, issn = {1615-4150}, doi = {10.1002/adsc.202001266, Early Access Date = JAN 2021}, author = {Bansode, Ajay H. and Suryavanshi, Gurunath} } @article {47735, title = {Wastewater treatment and process intensification for degradation of solvents using hydrodynamic cavitation}, journal = {Chemical Engineering and Processing-Process Intensification}, volume = {166}, year = {2021}, month = {SEP}, pages = {108485}, type = {Article}, abstract = {Industrial wastewater treatment for removal of small concentrations of harmful solvents is pertinent issue in many chemical and pharmaceutical industries. The present work evaluates removal of three common solvents by hydrodynamic cavitation (nominal capacity, 1m(3)/h). Solvent degradation of three solvents viz. octanol, dimethyl formamide and cyclohexanol was studied in the concentration range of 50-200 mg/L and for the pressure drop range of 0.5-5 bar. The vortex based cavitation device (vortex diode) was compared with that of linear flow based device (orifice). Process intensification in the form of aeration and addition oxidizing agent-hydrogen peroxide was also evaluated for synergistic effect. The vortex diode required lower pressure drop and is superior to orifice and process intensification using aeration is most effective. A reduction in TOC to the extent of 74\% could be achieved for octanol (200 ppm) using aeration with cavitational yield of 1202x10(-4) mg/J for vortex diode, yield similar to 10 times of orifice. The degradation depends on the nature of solvent and it was revealed that low values of dielectric constant (epsilon<10) favour degradation. The kinetics was evaluated using rate model based on per-pass degradation factor. The process techno-economic feasibility is useful in industrial wastewater treatment.}, keywords = {Cavitation, Effluent, Organics removal, Oxidation, pollution}, issn = {0255-2701}, doi = {10.1016/j.cep.2021.108485}, author = {Patil, Pravin B. and Bhandari, Vinay M. and Ranade, Vivek V.} } @article {47726, title = {Water mediated allosteric network in beta 2AR T164I variant modulates agonist binding affinity}, journal = {European Biophysics Journal with Biophysics Letters}, volume = {50}, year = {2021}, month = {JUL}, pages = {162}, type = {Meeting Abstract}, issn = {0175-7571}, author = {Nikte, Siddhanta V. and Sonar, Krushna and Tandale, Aditi and Sengupta, Durba and Joshi, Manali} } @article {47112, title = {Web-gLV: a web based platform for lotka-volterra based modeling and simulation of microbial populations (vol 10, 288, 2019)}, journal = {Frontiers in Microbiology}, volume = {11}, year = {2021}, month = {JAN }, pages = {605308}, type = {Correction}, keywords = {lotka-volterra, microbial population, Microbiome, Modeling, numerical-simulation, time-series, visualization, web-server}, issn = {1664-302X}, doi = {10.3389/fmicb.2020.605308}, author = {Kuntal, Bhusan K. and Gadgil, Chetan and Mande, Sharmila S.} } @article {47403, title = {Wittig reactions of maleimide-derived stabilized ylides with alkyl pyruvates: concise approach to methyl ester of (+/-)-chaetogline A}, journal = {Synthesis-Stuttgart}, volume = {53}, year = {2021}, month = {APR }, type = {Article}, abstract = {
A facile synthesis of methyl ester of chaetogline A is reported starting from the corresponding methyl 1-methyltryptophanate-derived- maleimide. A stereoselective Wittig olefination with a carbonyl function in methyl pyruvate followed by phosphorous pentoxide-induced- regioselective dehydrative cyclization are the essential reactions. An acid-induced thermodynamically driven stereoselective beta- to alpha-position migration of the exocyclic C=C bond unit in ethyl tetrahydroindolizinoindolylidenepropanoate is described.
}, keywords = {Amino acid, chaetogline A, dehydrative cyclization, maleimide, methyl pyruvate, Natural product, Wittig reaction}, issn = {0039-7881}, doi = {10.1055/a-1477-6043, Early Access Date = APR 2021}, author = {Shelar, Santosh V. and Argade, Narshinha P.} } @article {47828, title = {Wittig reactions of maleimide-derived stabilized ylides with alkyl pyruvates: concise approach to methyl ester of ({\textpm})-chaetogline A}, journal = {Synthesis}, volume = {53}, year = {2021}, month = {APR}, pages = {2897{\textendash}2902}, type = {Article}, abstract = {A facile synthesis of methyl ester of chaetogline A is reported starting from the corresponding methyl 1-methyltryptophanate-derived- maleimide. A stereoselective Wittig olefination with a carbonyl function in methyl pyruvate followed by phosphorous pentoxide-induced- regioselective dehydrative cyclization are the essential reactions. An acid-induced thermodynamically driven stereoselective β- to α-position migration of the exocyclic C=C bond unit in ethyl{\textellipsis} }, doi = {10.1055/A-1477-6043}, author = {Argade, Narshinha P. and Shelar, Santosh V.} } @article {47668, title = {ZCTs knockdown using antisense LNA GapmeR in specialized photomixotrophic cell suspensions of Catharanthus roseus: Rerouting the flux towards mono and dimeric indole alkaloids}, journal = {Physiology and Molecular Biology of Plants}, volume = {27}, year = {2021}, month = {JUL}, pages = {1437-1453}, type = {Article}, abstract = {The present study was carried out to silence the transcription factor genes ZCT1, ZCT2 and ZCT3 via lipofectamine based antisense LNA GapmeRs transfection into the protoplasts of established photomixotrophic cell suspensions. The photomixotrophic cell suspensions with a threshold of 0.5\% sucrose were raised and established using two-tiered CO2 providing flasks kept under high light intensity. The photomixotrophic cell suspensions showed morphologically different thick-walled cells under scanning electron microscopic analysis in comparison to the simple thin-walled parenchymatous control cell suspensions. The LC-MS analysis registered the vindoline production (0.0004 +/- 0.0001 mg/g dry wt.) in photomixotrophic cell suspensions which was found to be absent in control cell suspensions. The protoplasts were isolated from the photomixotrophic cell suspensions and subjected to antisense LNA GapmeRs silencing. Three lines, viz. Z1A, Z2C and Z3G were obtained where complete silencing of ZCT1, ZCT2 and ZCT3 genes, respectively, was observed. The Z3G line was found to show maximum production of vindoline (0.038 +/- 0.001 mg/g dry wt.), catharanthine (0.165 +/- 0.008 mg/g dry wt.) and vinblastine (0.0036 +/- 0.0003 mg/g dry wt.). This was supported by the multifold increment in the gene expression of TDC, SLS, STR, SGD, d4h, dat, CrT16H and Crprx. The present work indicates the master regulation of ZCT3 knockdown among all three ZCTs transcription factors in C. roseus to enhance the terpenoid indole alkaloids production. The successful silencing of transcription repressor genes has been achieved in C. roseus plant system by using photomixotrophic cell cultures through GapmeR based silencing. The present study is a step towards metabolic engineering of the TIAs pathway using protoplast transformation in C. roseus.}, keywords = {Catharanthine, LC-MS, Protoplast, TIAs, Vinblastine, Vindoline}, issn = {0971-5894}, doi = {10.1007/s12298-021-01017-y}, author = {Verma, Priyanka and Khan, Shamshad Ahmad and Parasharami, Varsha and Mathur, Ajay Kumar} } @article {47456, title = {Zinc-air batteries catalyzed using Co3O4 nanorod-supported N-doped entangled graphene for oxygen reduction reaction}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {MAY }, pages = {4570-4580}, type = {Article}, abstract = {
The work reported here deals with the development of an efficient non-platinum electrocatalyst for electrochemical oxygen reduction reaction (ORR) through a sequential pathway involving hydrothermal treatment followed by freeze-drying to build the desired structural architecture of the catalyst. The designed catalyst (Co3O4/nitrogen-doped entangled porous 3D graphene (NEGF)), which contains Co3O4 nanorods anchored on the surface of three-dimensional (3D)-structured N-doped graphene, was found to display higher ORR activity during single-electrode testing and demonstrate a Zn-air battery (ZAB) system. Under the hydrothermal treatment at 180 degrees C, in the presence of ammonia, nitrogen was doped into the carbon framework of graphene, which subsequently formed a self-assembled entangled 3D structure of graphene after freeze-drying. The hydrothermal treatment and freeze-drying processes were found to play vital roles in tuning the morphological and structural features of the catalyst. The doped nitrogen, apart from its favorable contribution toward ORR, helped facilitate efficient dispersion of oxide nanorods on graphene. Co3O4/NEGF displayed remarkable ORR activity in 0.1 M KOH solution, as evident from the 60 mV onset potential shift compared to the state-of-the-art Pt/C catalyst and the Tafel slope value of 74 mV dec(-1) vs 68 mV dec(-1) for Pt/C. The ZAB fabricated by employing Co3O4/NEGF as the cathode catalyst was found to be an efficient competitor for the system based on the Pt/C cathode. This high performance has been credited to the controlled interplay of the governing factors such as the interfacial interactions leading to the efficient dispersion of metal oxide nanorods, increased catalyst surface area, the cooperative effect arising from the defects present in the N-doped porous 3D graphene, and the synergetic interactions operating in the system.
}, keywords = {cobalt-oxide nanorod, freeze-drying, hydrothermal, N-doped entangled graphene, oxygen reduction reaction, zinc-air battery}, issn = {2574-0962}, doi = {10.1021/acsaem.1c00210}, author = {Manna, Narugopal and Singh, Santosh K. and Kharabe, Geeta Pandurang and Torris, Arun and Kurungot, Sreekumar} } @article {48108, title = {2,4-Di-tert-butylphenol (2,4-DTBP) purified from streptomyces sp. KCA1 from phyllanthus niruri: isolation, characterization, antibacterial and anticancer properties}, journal = {Journal of King Saud University Science}, volume = {34}, year = {2022}, month = {JUL}, pages = {102088}, type = {Article}, abstract = {
Objectives: The present study reports the bioactivity of 2,4-Di-tert-butylphenol (2,4-DTBP) purified from an endophytic Streptomyces species KCA1 isolated from the leaves of Phyllanthus niruri and its antibacterial and anticancer properties. Methods: The extracellular metabolites were produced from the strain KCA1 by submerged fermentation using ethyl acetate. The crude extract was further evaluated for antibacterial activity against set of pathogens. Active metabolite from the extract was purified using chromatography techniques and detected its antibacterial activity by disc diffusion assay. The molecular structure of the active molecule was identified through various spectral study. Moreover, the bioactive metabolite 2,4-DTBP was analyzed antibacterial and anti-proliferative activity. Results: Strain KCA1 was identified as Streptomyces sp. In the preliminary screening, the crude extract exhibited broad spectrum activity against various bacterial pathogens. Based on the spectral properties, the active metabolite was identified as 2,4-Di-tert-butylphenol. The MIC of active compound 2,4-DTBP inhibited E. coli ATCC 25922 and S. aureus ATCC 29213 at 50 lg/ml and 0.78 lg/ml, respectively. The IC50 value of 2,4-DTBP was found to be 11.0 lg/ml and 116.8 lg/ml, against breast cancer cell line (MCF7) and normal VERO cell line, respectively. Conclusions: This study concluded that 2,4-DTBP, produced from the endophytic Streptomyces sp. KCA1, is the potential candidate to develop as promising antibacterial and anticancer agent. (C) 2022 The Authors. Published by Elsevier B.V. on behalf of King Saud University.
}, keywords = {2, 4-Di-tert-butylphenol, Antibacterial, antiproliferative activity, Endophytic Streptomyces}, issn = {1018-3647}, doi = {10.1016/j.jksus.2022.102088}, author = {Seenivasan, Ayswarya and Manikkam, Radhakrishnan and Kaari, Manigundan and Sahu, Amit Kumar and Said, Madhukar and Dastager, Syed G.} } @article {48228, title = {2-oxoglutarate-dependent dioxygenases drive expansion of steroidal alkaloid structural diversity in the genus Solanum}, journal = {New Phytologist}, volume = {234}, year = {2022}, month = {MAY}, pages = {1394-1410}, type = {Article}, abstract = {
Solanum steroidal glycoalkaloids (SGAs) are renowned defence metabolites exhibiting spectacular structural diversity. Genes and enzymes generating the SGA precursor pathway, SGA scaffold and glycosylated forms have been largely identified. Yet, the majority of downstream metabolic steps creating the vast repertoire of SGAs remain untapped. Here, we discovered that members of the 2-OXOGLUTARATE-DEPENDENT DIOXYGENASE (2-ODD) family play a prominent role in SGA metabolism, carrying out three distinct backbone-modifying oxidative steps in addition to the three formerly reported pathway reactions. The GLYCOALKALOID METABOLISM34 (GAME34) enzyme catalyses the conversion of core SGAs to habrochaitosides in wild tomato S. habrochaites. Cultivated tomato plants overexpressing GAME34 ectopically accumulate habrochaitosides. These habrochaitoside enriched plants extracts potently inhibit Puccinia spp. spore germination, a significant Solanaceae crops fungal pathogen. Another 2-ODD enzyme, GAME33, acts as a desaturase (via hydroxylation and E/F ring rearrangement) forming unique, yet unreported SGAs. Conversion of bitter alpha-tomatine to ripe fruit, nonbitter SGAs (e.g. esculeoside A) requires two hydroxylations; while the known GAME31 2-ODD enzyme catalyses hydroxytomatine formation, we find that GAME40 catalyses the penultimate step in the pathway and generates acetoxy-hydroxytomatine towards esculeosides accumulation. Our results highlight the significant contribution of 2-ODD enzymes to the remarkable structural diversity found in plant steroidal specialized metabolism.
}, keywords = {Solanum, specialized metabolism, steroidal glycoalkaloids (SGAs), structural diversity, Tomato}, issn = {0028-646X}, doi = {10.1111/nph.18064}, author = {Sonawane, Prashant D. and Jozawiak, Adam and Barbole, Ranjit and Panda, Sayantan and Abebie, Bekele and Kazachkova, Yana and Gharat, Sachin A. and Ramot, Ofir and Unger, Tamar and Wizler, Guy and Meir, Sagit and Rogachev, Ilana and Doron-Faigenboim, Adi and Petreikov, Marina and Schaffer, Arthur and Giri, Ashok P. and Scherf, Tali and Aharoni, Asaph} } @article {48112, title = {3D x-ray microtomography investigations on the bimodal porosity and high sulfur impregnation in 3D carbon foam for Li-S battery application}, journal = {Journal of Physics-Energy}, volume = {4}, year = {2022}, month = {JAN }, pages = {014003}, type = {Article}, abstract = {
Lithium-sulfur (Li-S) batteries, regarded as one of the most promising alternatives to current state-of-the-art rechargeable Li-ion battery technologies, have received tremendous attention as potential candidates for next-generation portable electronics and the rapidly advancing electric vehicle market. However, substantial capacity decay, miserable cycle life, and meagre stability remain critical challenges. More specifically, shuttling of polysulfide (Li2S (x) (3 \< x \<= 8)) species severely hinders the cycle performance resulting in capacity fade and cycling instability. In the present work, a highly conducting three-dimensional (3D) carbon nanofiber (CNF) foam has been synthesized using the lyophilization method followed by thermal pyrolysis. The highly porous foam materials have a bimodal porosity distribution in the nano and micro regime and were successfully investigated to serve as a potential host for sulfur species intended for Li-S battery application. 3D x-ray microtomography was employed to estimate the nature of sulfur impregnation and distribution in the 3D porous networks. On utilizing the final product as cathode material, sulfur impregnated carbonized CNF foam and modified the separator with functionalized multiwalled carbon nanotubes delivered a specific capacity of similar to 845 mAh g(-1) at 100 mA g(-1).
}, keywords = {bimodal porosity, CNF foam, Li-S battery, microtomography}, issn = {2515-7655}, doi = {10.1088/2515-7655/ac4c34}, author = {Thripuranthaka, M. and Chaturvedi, Vikash and Dwivedi, Pravin Kumari and Torris, Arun and Shelke, V. Manjusha} } @article {48189, title = {Acetic acid-catalyzed regioselective C(sp(2))-H bond functionalization of indolizines: concomitant involvement of synthetic and theoretical studies}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {APR}, pages = {5097-5112}, type = {Article}, abstract = {
An atom economical and environmentally benign protocol has been developed for the regioselective C(sp2)-H bondfunctionalization of indolizines. The acetic acid-catalyzed cross-coupling reaction proceeds under metal-free conditions, producing awide range of synthetically useful indolizine derivatives. The present protocol showed good functional group tolerance and broadsubstrate scope in good to excellent yields. Quantum mechanical investigation using density functional theory (DFT) has played acrucial role in understanding that acetic acid is the key player in determining the actual pathway as the catalyst and its ultrafastnature. Different pathways involving inter- and intramolecular proton transfer, with or without acetic acid, were investigated.Calculated results revealed that a proton shuttle mechanism is involved for the least energetic, most favorable acetic acid-catalyzedpathway. Furthermore, regioselectivity has also been explained theoretically.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c03019}, author = {Mane, Kishor D. and Mukherjee, Anirban and Das, Gourab Kanti and Suryavanshi, Gurunath} } @article {48353, title = {Addressing challenges in sealing of scalable multifiber module for O-2 enrichment using LSCF membranes}, journal = {International Journal of Applied Ceramic Technology}, volume = {19}, year = {2022}, month = {MAY}, pages = {1561-1571}, type = {Article}, abstract = {
Scalable and multifiber modules in oxygen separation face huge challenges due to difficulty in integrating all the necessary components, especially in sealing the fibers in a gas tight module. Here, we report our findings on design and fabrication of a multifiber La0.6Sr0.4Co0.2Fe0.8O3-delta (LSCF)-based module, which can be scaled up. The focus is on sealing ceramic-metal interfaces by layering of sealants of varying thermal properties. We have also incorporated the use of dead ended fibers to minimize ceramic-metal interfaces in the hot zones and present a new method for dead ending by flame melting. Pressurizing the air inlet feed from either bore side or shell side is detrimental to the structural integrity of the fibers. A thorough characterization of the fresh and spent fibers is also carried out using X-ray tomography and electron microscopy, which indicates effect of temperature and pressure on the fibers.
}, keywords = {Characterization, permeability, Perovskites}, issn = {1546-542X}, doi = {10.1111/ijac.13967}, author = {Jogdand, Shunottara M. and Bedadur, Prachiti R. and Torris, Arun and Agrawal, Ravi and Kharul, Ulhas K. and Devi, R. Nandini} } @article {46626, title = {Adsorption of toxic Pb(II) on activated carbon derived from agriculture waste (Mahogany fruit shell): isotherm, kinetic and thermodynamic study}, journal = {International Journal of Environmental Analytical Chemistry}, volume = {102}, year = {2022}, month = {DEC}, pages = {8270-8286}, type = {Article}, abstract = {
An adsorbent, mahogany fruit shell activated carbon(MFSAC), was derived from environmental friendly raw material, i.e. agriculture waste and explored for bench scale adsorption of toxic Pb(II). A facile MFSAC material was synthesised using a chemical activation method using concentrated sulphuric acid as an impregnating (activating) reagent. So derived adsorbent material was characterised by FTIR, XRD, BET, SEM, EDAX, TGA and XPS techniques to know the properties and plausible adsorption mechanism. Bench scale adsorption of toxic Pb(II) and maximum adsorption capacity of MFSAC were exhibited through batch adsorption experiments. The effect of physico-chemical parameters such as pH (1-7), MFSAC amount (0.5-5.0 g L-1), Pb(II) concentration (200-1000 mgL(-1)), contact period (60-600 min) and orbital shaking speed (60-200 rpm) was studied for maximum removal of Pb(II) upto 99.70 +/- 0.17\%. The experimental data follow the Langmuir adsorption isotherm with a maximum monolayer adsorption capacity 322.28 mg g(-1)and pseudo-second-order kinetic uptake rate. The thermodynamic and temperature study revealed that the adsorption process was spontaneous and endothermic in nature (Delta H-o = 43.37 kJ mole(-1), Delta S-o = 158.02 J mol(-1)K(-1)). Most importantly, the MFSAC adsorbent was successfully regenerated and reused with conspicuous performance up to five consecutive cycles. The bench-scale adsorption with simple synthesis route, good stability and remarkable regeneration capability makes the MFSAC as an encouraging adsorbent for wastewater treatment.
}, keywords = {activated carbon, Adsorption, mahogany fruit shell, Pb(II), sulphuric acid}, issn = {0306-7319}, doi = {10.1080/03067319.2020.1849648}, author = {Patil, Suryakant A. and Suryawanshi, Umesh P. and Harale, Namdev S. and Patil, Sandip K. and Vadiyar, Madgonda M. and Luwang, Meitram N. and Anuse, Mansing A. and Kim, Jin H. and Kolekar, Sanjay S.} } @article {47425, title = {Advanced genome editing strategies for manipulation of plant specialized metabolites pertaining to biofortification}, journal = {Phytochemistry Reviews}, volume = {21}, year = {2022}, month = {FEB}, pages = {81-99}, type = {Article}, abstract = {
Emerging trends in molecular biology have progressed the knowledge of plant specialized metabolites with respect to diversity in structure, function and biosynthetic pathways. Being powerful genome-editing tools, Zinc Finger Nuclease, Transcription Activator-Like Effector Nuclease, and Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR) systems have found potential application in genome and epigenome engineering. CRISPR/Cas9 is being used for studying the functions of multiple genes and gene families in plants. Our analysis suggests that although a rapid progress has occurred for utilization of CRISPR/Cas9 tool in crop improvement, limited studies are available for its application in manipulation of gene clusters of useful specialized metabolites in plants. In this review, after describing briefly about the recent advancements in genome editing techniques, we have further discussed their applicability in the modulation of metabolite production and biofortification of food crops. We have also emphasized the importance of CRISPR/Cas9-based targeted deletion of larger chromosomal fragments or gene clusters towards value addition of crop plants. The current policies for CRISPR/Cas9-edited crop plants in different countries and their acceptability in market place is also discussed. We propose that advanced genome editing techniques, including a multiplex CRISPR/Cas9 system could serve as a versatile tool for rewiring of metabolite gene clusters and improving the levels of useful metabolites in plants.
}, keywords = {Cas9, Chromosomal fragment, CRISPR, Gene cluster, Genome editing, Plant specialized metabolites}, issn = {1568-7767}, doi = {10.1007/s11101-021-09749-1}, author = {Bhambhani, Sweta and Kondhare, Kirtikumar R. and Giri, Ashok P.} } @article {48174, title = {Air-cathode interface-engineered electrocatalyst for solid-state rechargeable zinc-air batteries}, journal = {ACS Applied Energy Materials}, volume = {5}, year = {2022}, month = {JUL }, pages = {8756-8768}, type = {Article}, abstract = {
Solid-state rechargeable zinc-air batteries (ZABs) are gaining interest as a class of portable clean energy technology due to their advantages such as high theoretical energy density, intrinsic safety, and low cost. It is expected that an appropriately triple-phase boundary (TPB) engineered, bifunctional oxygen reaction (OER and ORR) electrocatalyst at the air- electrode of ZABs can redefine the performance characteristics of these systems. To explore this possibility, an electrode material consisting of manganese- cobalt-based bimetallic spinel oxide (MnCo2O4)-supported nitrogen-doped entangled graphene (MnCo2O4/NEGF) with multiple active sites responsible for facilitating both OER and ORR has been prepared. The porous 3D graphitic support significantly affects the bifunctional oxygen reaction kinetics and helps the system display a remarkable catalytic performance. The air electrode consisting of the MnCo2O4/NEGF catalyst coated over the gas diffusion layer (GDL) ensures the effective TPB, and this feature works in favor of the rechargeable ZAB system under the charging and discharging modes. As an important structural and functional attribute of the electrocatalyst, the porosity and nitrogen doping in the 3D conducting support play a decisive aspect in controlling the surface wettability (hydrophilicity/hydrophobicity) of the air electrode. The fabricated solid-state rechargeable ZAB device with the developed electrode displayed a maximum peak power density of 202 mW cm(-2), which is significantly improved as compared to the one based on the Pt/C + RuO2 standard catalyst pair (124 mW cm(-2)). The solid-state device which displayed an initial charge-discharge voltage gap of only 0.7 V at 10 mA cm(-2) showed only a small increment of 86 mV after 50 h.
}, keywords = {air-cathode interface, bifunctional oxygen catalyst, N-doped entangled graphene, solid-state zinc-air battery, spinel oxides}, issn = {2574-0962}, doi = {10.1021/acsaem.2c01266}, author = {Manna, Narugopal and Singh, Santosh K. and Kurian, Maria and Torris, Arun and Kurungot, Sreekumar} } @article {48221, title = {Algal biomass-loaded hydrogel scaffolds as a biomimetic platform with antibacterial and wound healing activities}, journal = {ACS Applied Polymer Materials}, volume = {4}, year = {2022}, month = {AUG}, pages = {5800-5812}, type = {Article}, abstract = {
The confluence of hydrogel scaffolds and dried algal biomass (AB), consisting of all the bioactive compounds, offers the possibility to facilitate wound healing while simultaneously instilling antibacterial benefits. For this purpose, a single-step synthesis of algal (Chlorella sorokiniana) biomass-loaded hydrogel scaffolds (AHS) was achieved. C. sorokiniana has been used in different areas for several years and has proved attractive to the pharmaceutical and cosmetic industries. Of note, the presence of phytochemicals and various bioactive compounds provides an added health benefit. Hitherto, we report AHS with accelerated wound healing along with potent anti-inflammatory and antibacterial properties. AHS consisting of different concentrations of AB was applied for 14 days on excisional wounds in mice. Microscopic analyses, assessment of proinflammatory and anti-inflammatory cytokines, and histological studies were performed to investigate wound healing. These scaffolds were extensively characterized and studied using Fourier transform infrared, X-ray diffraction, Raman, atomic force microscopy, transmission electron microscopy, scanning electron microscopy, swelling, rheological, thermal, and mechanical analyses. AHS have excellent biocompatibility in addition to significant antibacterial activity against Escherichia coli (99\%) and Staphylococcus aureus (98\%). We believe that the as-synthesized AHS have the potential to broaden the arsenal of more effective wound healing processes along with antibacterial activities.
}, keywords = {antibacterial activity, Biomass, hydrogel scaffold, microalgae, wound Healing}, issn = {2637-6105}, doi = {10.1021/acsapm.2c00722}, author = {Agarwal, Aakanksha and Kumar, Arun and Garg, Piyush and Chakraborty, Arnab and Verma, Ranjan and Sarwat, Maryam and Gupta, Ajay and Sasmal, Pijus K. and Verma, Yogesh Kumar and Chowdhury, Chiranjit and Mukherjee, Monalisa} } @article {47989, title = {Allosteric modulation of the chemokine receptor-chemokine CXCR4-CXCL12 complex by tyrosine sulfation}, journal = {International Journal of Biological Macromolecules}, volume = {206}, year = {2022}, month = {MAY }, pages = {812-822}, type = {Article}, abstract = {
The chemokine receptor CXCR4 and its cognate ligand CXCL12 mediate pathways that lead to cell migration and chemotaxis. Although the structural details of related receptor-ligand complexes have been resolved, the roles of the N-terminal domain of the receptor and post-translational sulfation that are determinants of ligand selectivity and affinity remain unclear. Here, we analyze the structural dynamics induced by receptor sulfation by combining molecular dynamics, docking and network analysis. The sulfotyrosine residues, 7YsN-term, 12Ys(N-term) and 21Ys(N-term) allow the N-terminal domain of the apo-sulfated receptor to adopt an {\textquoteleft}{\textquoteleft}open {\textquoteleft}{\textquoteleft} conformation that appears to facilitate ligand binding. The overall topology of the CXCR4-CXCL12 complex is independent of the sulfation state, but an extensive network of protein-protein interactions characterizes the sulfated receptor, in line with its increased ligand affinity. The altered interactions of sulfotyrosine residues, such as 21Ys(N-term)- 47R(CXCL12) replacing the 21Y(N-term)-13F(CXCL12) interaction, propagate via allosteric pathways towards the receptor lumen. In particular, our results suggest that the experimentally-reported receptor-ligand interactions 262D(6.58)- 8R(CXCL12) and 277E(7.28)-12R(CXCL12) could be dependent on the sulfation state of the receptor and need to be carefully analyzed. Our work is an important step in understanding chemokine-receptor interactions and how post-translational modifications could modulate receptor-ligand complexes.
}, keywords = {Allosteric communication pathway, Atomistic molecular dynamics simulations, G protein-coupled receptor, Ligand binding, Post-translational modification, Protein-protein interface}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2022.03.078}, author = {Sonawani, Archana and Kharche, Shalmali and Dasgupta, Debjani and Sengupta, Durba} } @article {47743, title = {Alpha Au2S nanoparticles: fungal-mediated synthesis, structural characterization and bioassay}, journal = {Green Chemistry Letters and Reviews}, volume = {15}, year = {2022}, month = {JAN }, pages = {59-68}, type = {Article}, abstract = {Luminescent nanoparticles synthesized via bio-based protocols that generate nanoparticles having different chemical compositions along with other functionalities (size and morphology) have received huge attention. We have focused our research on gold sulfide nanoparticles (Au2S NPs) and have biosynthesized these NPs using the fungus Humicola sp. The nanoparticles were characterized by Transmission Electron Microscopy, which showed spherical morphology of Au2S. UV-Visible-NIR spectrophotometry, luminescence spectrophotometry, Selected Area Electron Diffraction, Energy Dispersive Analysis of X-rays, and X-ray diffraction were performed. FTIR confirmed that the fungal metabolites including biomolecules secreted in the reaction medium are primarily responsible for nanoparticle synthesis and stabilization. The fungus reduced the precursor solution (HAuCl4 and Na2SO3) and at the same time capped them with secreted biomolecules. The anti-leishmanial activity of Au2S NPs was determined against L. donovani promastigote (Ag83 strain). Au2S NPs displayed less cytotoxicity towards both normal and cancer (Daudi, ZR-75-1) cell lines. Hemocompatibility was determined via hemolysis assays. This novel fungal-based system demonstrates an economical and environmentally benign process for biosynthesis of Au2S nanoparticles which may find application in bioimaging and labeling studies.}, keywords = {Biosynthesis, Cytotoxicity, Gold sulfide, Hemolysis, humicola sp, promastigote}, issn = {1751-8253}, doi = {10.1080/17518253.2021.1999509}, author = {Syed, Asad and Al Saedi, Marzouq H. and Bahkali, Ali H. and Elgorgan, Abdallah M. and Kharat, Mahesh and Pai, Kalpana and Pichtel, John and Ahmad, Absar} } @article {48005, title = {Alpha-, beta- and gamma-cellulose quantification and two-stage concentrated-dilute acid lignin recovery from three rice husks: lignin characterization and depolymerization}, journal = {Waste and Biomass Valorization}, volume = {13}, year = {2022}, month = {JUN}, pages = {2963-2977}, type = {Article}, abstract = {
Investigations on the compositional analysis of lignocellulosic materials and their properties upon recovery are essential to be studied in order to examine the effects of recovery method, their dependency on the substrate, etc. In this work, three rice husks (RHs) samples were subjected for alpha-, beta- and gamma-cellulose, pentosan, and silica quantifications. Correlations between the source of biomass, lignin recovery by two-stage concentrated and dilute sulphuric acid treatment, their properties and their depolymerization into low molecular mass aromatic fractions using homogeneous and heterogeneous Bronsted acidic ionic liquids as catalysts, is carried out. Correlation between the properties of RHs and recovered lignin were performed using destructive (CHNS, TGA, ICP-OES, etc.) and non-destructive (XRD, UV-Visible, FT-IR, and C-13 CP-MAS NMR) analytical techniques. It was observed that the recovered lignin was polysaccharides free and associated with dibenzodioxocin, spirodienone, and tricin type moieties with variable intensities. The effects of lignin structures showed a change of depolymerisation product pattern. [GRAPHICS] .
}, keywords = {Holocellulose, Homogeneous and heterogeneous catalysts, lignin, Rice husks}, issn = {1877-2641}, doi = {10.1007/s12649-022-01704-1}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {47987, title = {Alpha-angelica lactone catalyzed oxidation of pyrrolidines to lactams}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {AUG}, pages = {e202200712}, type = {Article}, abstract = {
Herein, we report an efficient protocol for the synthesis of gamma-lactams from pyrrolidines and oxygen. The strategy follows a two-step process involving an initial generation alpha-amino alkyl radicals from pyrrolidines and oxygen in presence of 4-dimethylaminopyridine (DMAP) followed by trapping of the radical with oxygen species. This protocol demonstrates good functional group acceptance and provides a direct method to access gamma-lactams. The lactam derivatives were obtained in up to 98 \% yield.
}, keywords = {alpha-Amino alkyl radicals, alpha-Angelica lactone, lactams, Oxidation, Pyrrolidines}, issn = {1434-193X}, doi = {10.1002/ejoc.202200712}, author = {Deepake, Siddharth K. and Kumar, Manish and Kumar, Pawan and Das, Utpal} } @article {47766, title = {Alternative splicing modulation mediated by G-quadruplex structures in MALAT1 lncRNA}, journal = {Nucleic Acids Research}, volume = {50}, year = {2022}, month = {JAN}, pages = {378-396}, type = {Article}, abstract = {MALAT1, an abundant lncRNA specifically localized to nuclear speckles, regulates alternative-splicing (AS). The molecular basis of its role in AS remains poorly understood. Here, we report three conserved, thermodynamically stable, parallel RNAG-quadruplexes (rG4s) present in the 3{\textquoteright} region of MALAT1 which regulates this function. Using rG4 domain-specific RNA-pull-down followed by mass-spectrometry, RNA-immuno-precipitation, and imaging, we demonstrate the rG4 dependent localization of Nucleolin (NCL) and Nucleophosmin (NPM) to nuclear speckles. Specific G-to-A mutations that abolish rG4 structures, result in the localization loss of both the proteins from speckles. Functionally, disruption of rG4 in MALAT1 phenocopies NCL knockdown resulting in altered pre-mRNA splicing of endogenous genes. These results reveal a central role of rG4s within the 3{\textquoteright} region of MALAT1 orchestrating AS.}, issn = {0305-1048}, doi = {10.1093/nar/gkab1066}, author = {Ghosh, Arpita and Pandey, Satya Prakash and Ansari, Asgar Hussain and Sundar, Jennifer Seematti and Singh, Praveen and Khan, Yasmeen and Ekka, Mary Krishna and Chakraborty, Debojyoti and Maiti, Souvik} } @article {46622, title = {Amide-linked monocarbonyl curcumin analogues: efficient synthesis, antitubercular activity and molecular docking study}, journal = {Polycyclic Aromatic Compounds}, volume = {45}, year = {2022}, month = {MAY}, pages = {2655-2671}, type = {Article}, abstract = {
An approach toward the synthesis of novel conjugates of 3,5-bis (arylidene)-4-piperidones (DAP) pharmacophore with amide-linkage has been developed via one-pot multicomponent reaction of aryl aldehydes, piperidinone and 2-chloro-N-phenylacetamide using [Et3NH][HSO4] as a catalyst/medium. Both substitutions on arylidene rings and piperidinone nitrogen (substituted 2-chloro-N-phenylacetamide) were varied. The synthesized conjugates were evaluated for their in vitro antitubercular activity against M. tuberculosis H37Ra (MTB) and M. bovis BCG strains. Among the series, compounds 4f, 4g, 4i and 4j showed remarkable broad spectrum antitubercular activity with low IC50 values. Furthermore, computer docking simulations, for the most active conjugates were performed with the active site of mycobacterial enoyl-acyl carrier protein reductase (InhA) support the antitubercular activity. Lower cytotoxicity, high potency and promising activity against MTB and M. Bovis BCG suggest that amide linked DAP could serve as good leads for further modifications and development.
}, keywords = {antimycobacterial activity, Bis (arylidene)-4-piperidones, Cytotoxicity, Ionic liquid, Molecular docking Study}, issn = {1040-6638}, doi = {10.1080/10406638.2020.1852288}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Nagargoje, Amol A. and Akolkar, V. Satish and Bhansali, Sujit G. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {48123, title = {Amino acid-derived ABCBA-type antifouling biohybrid with multi-stimuli responsivity and contaminant removal capability}, journal = {Polymer Chemistry}, volume = {13}, year = {2022}, month = {APR}, pages = {1960-1969}, type = {Article}, abstract = {
Multi-stimuli (pH/thermo/redox)-responsive amphiphilic poly(cysteine methacrylamide)-block-poly(2-(dimethylamino)ethyl methacrylate)-block-polybutadiene-block-poly(2-(dimethylamino)ethyl methacrylate)-block-poly(cysteine methacrylamide) (PCysMAM-b-PDMAEMA-b-PB-b-PDMAEMA-b-PCysMAM) pentablock copolymer biohybrids, based on hydrophobic PB, ampholytic redox responsive PCysMAM and dual (pH and temperature) stimuli responsive PDMAEMA segments, are synthesized via a four-step synthesis protocol. The synthesis protocol involves: (1) in situ post polymerization modification of living polybutadiene-based carbanionic species to prepare hydroxyl terminated polybutadiene (HTPB); (2) introduction of an initiating functionality (capable of acting as an ATRP initiator) to HTPB, yielding a telechelic ATRP macroinitiator (Br-PB-Br); (3) recyclable alloy-mediated successive RDRP of DMAEMA and CysMAM, yielding a series of PCysMAM-b-PDMAEMA-b-PB-b-PDMAEMA-b-PCysMAM (A-B-C-B-A) pentablock copolymers with various chain lengths; and (4) conversion of the PDMAEMA block to poly(quaternary ammonium) (PQA) via quaternization. The stimuli responsiveness of the copolymer is investigated against changes in pH, temperature and redox. The pentablock copolymer self-assembles into spherical nanospheres, can switch between its monocationic, zwitterionic and monoanionic charged states, exhibits antifouling behaviour and is capable of removing ionic contaminants from water. These pentablock copolymers may emerge as a promising material for emerging applications.
}, issn = {1759-9954}, doi = {10.1039/d2py00280a}, author = {Kumar, Devendra and Mohammad, Sk Arif and Kumar, Anand and Mane, Shivshankar R. and Banerjee, Sanjib} } @article {48411, title = {Antibiotic natural product hunanamycin A: Lead identification towards anti-Salmonella agents}, journal = {European Journal of Medicinal Chemistry}, volume = {236}, year = {2022}, month = {JUN}, pages = {114245}, type = {Article}, abstract = {
Design and synthesis of library of compounds around the antibiotic natural product hunanamycin A scaffold and their biological evaluation are disclosed here. These efforts resulted in identification of a lead compound 36, which is a structurally simplified analogue of original hunanamycin A with impressive activity against Salmonella enterica and possesses other druggable properties. In addition, no acute oral toxicity was observed for compound 36 in Swiss albino mice dosed up to 2 g/kg. It has the potential to be developed for the treatment of food infections caused by Salmonella. (c) 2022 Published by Elsevier Masson SAS.
}, keywords = {Antibiotic natural product, Hunanamycin A, Riboflavin synthase, Salmonella, Structure activity relationship}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2022.114245}, author = {Shingare, Rahul D. and MacMillan, John B. and Reddy, D. Srinivasa} } @article {48014, title = {Antifungal compound from marine Serratia marcescens BKACT and its potential activity against Fusarium sp.}, journal = {International Microbiology}, volume = {25}, year = {2022}, month = {NOV}, pages = {851-862}, type = {Article}, abstract = {
Ecofriendly biocontrol agents to control pathogenic fungi are in demand globally. The present study evaluated the antifungal potentials of marine bacteria Serratia marcescens BKACT against eight different Fusarium species. A highest 75.5 +/- 0.80\% of mycelial inhibition was observed against Fusarium foetens NCIM 1330. Structural characterization of the purified compound was analyzed by GC-MS and NMR techniques; based on the analysis, it is confirmed as 2, 4-di-tert butyl phenol (2, 4-DTBP) with chemical structure C14H22O. At 0.53 mM concentration, purified compound inhibited complete spore germination of F. foetens NCIM 1330. In vitro assay showed complete inhibition of F. foetens NCIM 1330 on the wheat seeds. Tested concentration does not show any toxic effect on germination of the seeds. By this study, we conclude that, 2, 4-DTBP is a suitable candidate to be used as biocontrol agent against Fusarium infection.
}, keywords = {2, 4, di-tert butyl phenol, Fusarium sp, marine, Serratia marcescens}, issn = {1139-6709}, doi = {10.1007/s10123-022-00268-3}, author = {Kharat, Bharat A. and Said, Madhukar S. and Dastager, Syed G.} } @article {48116, title = {Antimicrobial two-dimensional covalent organic nanosheets (2D-CONs) for the fast and highly efficient capture and recovery of phosphate ions from water}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {MAR }, pages = {4585-4593}, type = {Article}, abstract = {
The retrieval of depleting resources from wastewater could help resolve the mounting demands for resources in our society. Phosphate is an essential nutrient for all living things. However, the diminution of global reserves of phosphate rock could significantly affect our food security in the near future. At the same time, the removal of phosphates and pathogens is of great importance for water security and de-eutrophication. The specific pH-dependent adsorption and desorption of phosphate ions by water-insoluble adsorbents is an exciting strategy for removing and recovering phosphates from contaminated water. Herein, we report the development of new two-dimensional guanidine-containing covalent organic nanosheets (2D-gCONs). This water-insoluble amorphous polymer (exfoliated) selectively sequestered phosphate ions in the presence of other competing anions and could be reused for multiple cycles. The polymer showed a fast removal of phosphate ions with a maximum adsorption capacity of 398 mg g(-1) (pH 7.0). The sequestered phosphate ions could be easily reclaimed, and the polymer could be recycled just by altering the pH (similar to 10.0) of the aqueous solution. The guanidinium moieties played a pivotal role in exfoliation in aqueous medium and in the antibacterial activities against Gram-negative and Gram-positive bacteria. We hypothesize that the current study may advance the design of water-insoluble CONs to remove and recover phosphate ions from wastewater and could help alleviate the negative impact of water eutrophication. This strategy can also be tweaked to address other severe environmental challenges.
}, issn = {2050-7488}, doi = {10.1039/d1ta10911a}, author = {Dey, Subhasis and Das, Sribash and Patel, Anjali and Raj, K. Vipin and Vanka, Kumar and Manna, Debasis} } @article {48407, title = {Artificial intelligence in microbial natural product drug discovery: current and emerging role}, journal = {Natural Product Reports}, volume = {39}, year = {2022}, month = {DEC}, pages = {2215-2230}, type = {Review}, abstract = {
Covering: up to the end of 2022 Microorganisms are exceptional sources of a wide array of unique natural products and play a significant role in drug discovery. During the golden era, several life-saving antibiotics and anticancer agents were isolated from microbes; moreover, they are still widely used. However, difficulties in the isolation methods and repeated discoveries of the same molecules have caused a setback in the past. Artificial intelligence (AI) has had a profound impact on various research fields, and its application allows the effective performance of data analyses and predictions. With the advances in omics, it is possible to obtain a wealth of information for the identification, isolation, and target prediction of secondary metabolites. In this review, we discuss drug discovery based on natural products from microorganisms with the help of AI and machine learning.
}, issn = {0265-0568}, doi = {10.1039/d2np00035k}, author = {SahayaSheela, Vinodh J. and Lankadasari, Manendra B. and Dan, Vipin Mohan and Dastager, Syed G. and Pandian, Ganesh N. and Sugiyama, Hiroshi} } @article {48093, title = {Assembly, annotation, and comparative whole genome sequence of fusarium verticillioides isolated from stored maize grains}, volume = {11}, year = {2022}, month = {JUL}, pages = {810}, type = {Article}, abstract = {
Fusarium verticillioides is a plant pathogenic fungus affecting a wide range of crops worldwide due to its toxigenic properties. F. verticillioides BIONCL4 strain was isolated from stored maize grain samples in India, and produces high amount of fumonisin B1 (FB1). We report a comparative genomic analysis of F. verticillioides, covering the basic genome information, secretome, and proteins involved in host-pathogen interactions and mycotoxin biosynthesis. Whole-genome sequencing (WGS) was performed using the Illumina platform with an assembly size of 42.91 Mb, GC content of 48.24\%, and 98.50\% coverage with the reference genome (GCA000149555). It encodes 15,053 proteins, including 2058 secretory proteins, 676 classical secretory proteins, and 569 virulence and pathogenicity-related proteins. There were also 1447 genes linked to carbohydrate active enzymes (CaZymes) and 167 genes related to mycotoxin production. Furthermore, F. verticillioides genome comparison revealed information about the species{\textquoteright} evolutionary history. The overall study helps in disease prevention and management of mycotoxins to ensure food safety.
}, keywords = {comparative genomics, Fusarium verticillioides, mycotoxin biosynthesis, plant-pathogen interaction, Secretome, whole-genome sequencing}, doi = {10.3390/pathogens11070810}, author = {Navale, Vishwambar D. and Sawant, Amol M. and Gowda, Varun U. and Vamkudoth, Koteswara Rao} } @article {48056, title = {Assessment of a multipoint dosing approach for exothermic nitration in CSTRs in series}, journal = {Reaction Chemistry \& Engineering}, volume = {7}, year = {2022}, month = {JUN}, pages = {1671-1679}, type = {Article}, abstract = {
The exothermic aromatic nitration of a biaryl compound is studied using various configurations of CSTRs in series. The relative rates of heat generation and heat removal in different configurations are compared to identify safer options while taking scale-up-related decisions. The effects of different parameters on the steady-state temperatures of the CSTRs are demonstrated through simulations. The use of multipoint dosing in three different CSTRs of increasing volume in series was compared with the use of standard CSTRs of equal volume in series. The distribution of the nitrating agent in three different CSTRs in series helped to distribute the heat duty and thereby helped maximise the throughput almost 2.4-fold when compared with a conventional approach based on the co-addition of all the reactants in the first CSTR. Various feed combinations were studied, and suitable designs that fall within the safe operating range of CSTRs for highly exothermic reactions are given.
}, issn = {2058-9883}, doi = {10.1039/d2re00045h}, author = {Mule, G. M. and Kulkarni, S. and Kulkarni, A. A.} } @article {48379, title = {Association-dissociation dynamics of ionic electrolytes in low dielectric medium}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {JAN}, pages = {239-248}, type = {Article}, abstract = {
Ionic electrolytes are known to form various complexes which exist in dynamic equilibrium in a low dielectric medium. However, structural characterization of these complexes has always posed a great challenge to the scientific community. An additional challenge is the estimation of the dynamic association-dissociation time scales (lifetime of the complexes), which are key to the fundamental understanding of ion transport. In this work, we have used a combination of infrared absorption spectroscopy, two-dimensional infrared spectroscopy, molecular dynamics simulations, and density functional theory calculations to characterize the various ion complexes formed by the thiocyanate-based ionic electrolytes as a function of different cations in a low dielectric medium. Our results demonstrate that thiocyanate is an excellent vibrational reporter of the heterogeneous ion complexes undergoing association-dissociation dynamics. We find that the ionic electrolytes exist as contact ion pairs, dimers, and clusters in a low dielectric medium. The relative ratios of the various ion complexes are sensitive to the cations. In addition to the interactions between the thiocyanate anion and the countercation, the solute-solvent interactions drive the dynamic equilibrium. We have estimated the association-dissociation dynamics time scales from two-dimensional infrared spectroscopy. The exchange time scale involving the cluster is faster than that between a dimer and an ion pair. Moreover, we find that the dynamic equilibrium between the cluster and another ion complex is correlated to the solvent fluctuations.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c08613}, author = {Ghosh, Deborin and Sakpal, Sushil S. and Chatterjee, Srijan and Deshmukh, Samadhan H. and Kwon, Hyejin and Kim, Yung Sam and Bagchi, Sayan} } @article {48419, title = {Behavioral and proteomic studies reveal methylglyoxal activate pathways associated with alzheimer{\textquoteright}s disease}, journal = {ACS Pharmacology \& Translational Science}, volume = {6}, year = {2022}, month = {DEC}, pages = {65{\textendash}75}, type = {Article}, abstract = {
Diabetes is one of the major risk factors for Alzheimer{\textquoteright}s disease (AD) development. The role of elevated levels of glucose, methylglyoxal (MGO), and advanced glycation end products (AGEs) in the pathogenesis of AD is not well understood. In this pursuit, we studied the role of methylglyoxal in the pathogenesis of AD in rat models. The elevated plus-maze (EPM) behavioral study indicated that MGO induces anxiety. Treatment of telmisartan (RAGE expression inhibitor) and aminoguanidine (MGO quencher) attenuated MGO induced anxiety. Further, hippocampal proteomics demonstrated that MGO treated rats differentially regulate proteins involved in calcium homeostasis, mitochondrial functioning, and apoptosis, which may affect neurotransmission and neuronal plasticity. The hippocampal tau phosphorylation level was increased in MGO treated rats, which was reduced in the presence of aminoguanidine and telmisartan. The plasma fructosamine level was increased upon MGO treatment. Hippocampal histochemistry showed vascular degeneration and neuronal loss upon MGO treatment. This study provides mechanistic insight into the role of MGO in the diabetes-associated development of AD.
}, doi = {10.1021/acsptsci.2c00143}, author = {Patil, Gouri and Kulsange, Shabda and Kazi, Rubina and Chirmade, Tejas and Kale, Vaikhari and Mote, Chandrashekhar and Aswar, Manoj and Koratkar, Santosh and Agawane, Sachin and Kulkarni, Mahesh} } @article {48370, title = {BESFA: bioinformatics based evolutionary, structural \& functional analysis of prostate, Placenta, Ovary, Testis, and Embryo (POTE) paralogs}, journal = {Heliyon}, volume = {8}, year = {2022}, month = {SEP}, pages = {e10476}, type = {Article}, abstract = {
The POTE family comprises 14 paralogues and is primarily expressed in Prostate, Placenta, Ovary, Testis, Embryo (POTE), and cancerous cells. The prospective function of the POTE protein family under physiological conditions is less understood. We systematically analyzed their cellular localization and molecular docking analysis to elucidate POTE proteins{\textquoteright} structure, function, and Adaptive Divergence. Our results suggest that group three POTE paralogs (POTEE, POTEF, POTEI, POTEJ, and POTEKP (a pseudogene)) exhibits significant variation among other members could be because of their Adaptive Divergence. Furthermore, our molecular docking studies on POTE protein revealed the highest binding affinity with NCI-approved anticancer compounds. Additionally, POTEE, POTEF, POTEI, and POTEJ were subject to an explicit molecular dynamic simulation for 50ns. MM-GBSA and other essential electrostatics were calculated that showcased that only POTEE and POTEF have absolute binding affinities with minimum energy exploitation. Thus, this study{\textquoteright}s outcomes are expected to drive cancer research to successful utilization of POTE genes family as a new biomarker, which could pave the way for the discovery of new therapies.
}, keywords = {(MMGBSA), Adaptive divergence, Evolution, generalized born surface area, Homology, Mechanics, Molecular docking, Molecular dynamic simulation molecular, POTE paralogs}, doi = {10.1016/j.heliyon.2022.e10476}, author = {Qazi, Sahar and Jit, Bimal Prasad and Das, Abhishek and Karthikeyan, Muthukumarasamy and Saxena, Amit and Ray, M. D. and Singh, Angel Rajan and Raza, Khalid and Jayaram, B. and Sharma, Ashok} } @article {48389, title = {Biodegradable, solvent-free photocrosslinkable PLLA resin formulations for additive manufacturing}, journal = {Macromolecular Chemistry and Physics}, volume = {223}, year = {2022}, month = {NOV}, type = {Article}, abstract = {
Acrylate end-functionalized linear and star poly l-lactide (PLLA) based aliphatic, photocurable oligomeric crosslinkers are developed, which are formulated with hydroxyl (ethyl)methacrylate (HEMA) as a biodegradable reactive diluent to demonstrate successful application for solvent-less 3D printing using digital light processing (DLP) technique as well as a custom-designed direct ink writing 3D printer. The resin formulation for 3D printing is optimized using spot curing, photodifferential scanning calorimetry and cure depth analysis. The 3D printed parts exhibit promising mechanical property along with improved hydrophilicity and biodegradability. The development of new photocurable resin formulations are expected to meet the growing demand for raw materials that can be applied for developing custom designed bio implantable objects.
}, keywords = {3D printing, biodegradable materials, digital light processing, L-Lactide, photocurable materials}, issn = {1022-1352}, doi = {10.1002/macp.202200139}, author = {Pal, Shibam and Asha, S. K.} } @article {48172, title = {Bioinspired hyaluronic acid based nanofibers immobilized with 3, 4-difluorobenzylidene curcumin for treating bacterial infections}, journal = {Journal of Drug Delivery Science and Technology}, volume = {74}, year = {2022}, month = {AUG}, pages = {103480}, type = {Article}, abstract = {
Curcumin (Cur) is a natural polyphenol with multifaceted pharmacological functions, exploited extensively for biomedical applications. Traditionally curcumin is being used as an antimicrobial agent. However, to improvise the pharmacological properties, it is being modified synthetically. One of such modified Cur is 3, 4- difluorobenzylidene curcumin (CDF) which is aimed for enhancing the anti-cancer properties. Though there are reports on the studies of anti-cancer properties involving CDF, the anti-bacterial property is yet to be demonstrated. Accordingly, in our studies, we prepared bioinspired hyaluronic acid blends immobilized with CDF and fabricated non-woven nanofiber mats. These nanofiber mats were characterized and demonstrated in vitro cell culture studies, which involved cell viability, hemolysis, anti-bacterial and cell scratch assay to understand their efficacy in treating bacteria. The molecular docking studies of CDF and Cur were performed on the dihydrofolate reductase (DHFR) enzyme receptor, which is an essential protein of S.auerus (Staphylococcus aureus). The results of MTT (3-(4,5-Dimethylthiazol-2-yl)-2,5-Diphenyltetrazolium Bromide) assay, and hemolysis of the respective nanofiber mats with Cur and CDF showed non-toxicity and were compatible with blood cells. Further, the cell proliferation and adherence recorded \>60\% fibroblast cells for the nanofiber mats. The anti-bacterial property of Cur and CDF was similar. The in vitro release studies for the respective Cur and CDF loaded nanofiber mats recorded a release of 25 and 37\%, respectively. From these studies, we concluded that the CDF sustained its antibacterial property in addition to the improved anti-cancer property; hence CDF being synergetic, it will have a better scope in cancer therapy.
}, keywords = {anti-bacterial, curcumin, nanofibers, tissue engineering, wound Healing}, issn = {1773-2247}, doi = {10.1016/j.jddst.2022.103480}, author = {Patel, Pratikshkumar R. and Singam, Amarnath and Iyer, Arun K. and Gundloori, Rathna Venkata Naga} } @article {48373, title = {Biological macromolecule chitosan grafted co-polymeric composite: bio-adsorption probe on cationic dyes}, journal = {Polymer Bulletin}, volume = {79}, year = {2022}, month = {NOV}, pages = {9441-9455}, type = {Article}, abstract = {
Chitosan biological macromolecule is a versatile polymer; chemical modification has been carried out that lead to the formation of chitosan grafted polymers composites (Chito-g-PC). We proposed synthesis of six various Chito-g-PC as sorbents for toxic dyes. A novel graft copolymerization method based on radical polymerization with vinyl monomer like acrylic acid, acrylamide, N-isopropylacrylamide, methacrylic acid and polyacrylonitrile were utilized in order to address the large amount of swelling at four different pH buffers solution. The effect of initiator and monomer concentration, time and temperature on \% grafting and \% grafting efficiency were performed. Comparative characterization of Chito and Chito-g-PC were evaluated by SEM, XRD and FTIR, as well as solubility characteristics of the composites were determined by various pH buffer solution. Cationic toxic dyes Malachite green (MG) and Methylene blue (MB) were selected as the sorbet, and Chito-g-PC were used as biosorbents. Thermodynamic analysis showed that the sorption process was spontaneous and endothermic with an increased randomness. The sorption experiments were realized with six different Chito-g-PC for MG and MB at various pH.
}, keywords = {Acrylamide, acrylic acid, Bio sorbent, Chitosan biological macromolecule}, issn = {0170-0839}, doi = {10.1007/s00289-021-03954-w}, author = {Khairkar, Shyam R. and Pansare, V. Shubham and Shedge, Amol A. and Chhatre, Shraddha and Kulal, Dnyaneshwar K. and Patil, Vishwanath R. and Pansare, V. Amol} } @article {47900, title = {Biosynthetic process and strain improvement approaches for industrial penicillin production}, journal = {Biotechnology Letters}, volume = {44}, year = {2022}, month = {FEB}, pages = {179-192}, type = {Review}, abstract = {
Penicillins and cephalosporins are the most important class of beta (beta) lactam antibiotics, accounting for 65\% total antibiotic market. Penicillins are produced by Penicillium rubens (popularly known as P. chrysogenum) were used to synthesize the active pharmaceutical intermediate (API), 6-aminopenicillinic acid (6-APA) employed in semisynthetic antibiotic production. The wild strains produce a negligible amount of penicillin (Pen). High antibiotic titre-producing P. chrysogenum strains are necessitating for industrial Pen production to meet global demand at lower prices. Classical strain improvement (CSI) approaches such as random mutagenesis, medium engineering, and fermentation are the cornerstones for high-titer Pen production. Since, Sir Alexander Fleming Discovery of Pen, great efforts are expanded to develop at a commercial scale antibiotics producing strains. Breakthroughs in genetic engineering, heterologous expression and CRISPR/Cas9 genome editing tools opened a new window for Pen production at a commercial scale to assure health crisis. The current state of knowledge, limitations of CSI and genetic engineering approaches to Pen production are discussed in this review.
}, keywords = {beta-lactam antibiotic, Classical strain improvement (CSI), Genetic engineering, Penicillin, Penicillium chrysogenum}, issn = {0141-5492}, doi = {10.1007/s10529-022-03222-5}, author = {Sawant, Amol M. and Vamkudoth, Koteswara Rao} } @article {47995, title = {Blend of neem oil based polyesteramide as magnetic nanofiber mat for efficient cancer therapy}, journal = {Journal of Drug Delivery Science and Technology}, volume = {75}, year = {2022}, month = {SEP}, pages = {103629}, type = {Article}, abstract = {
Stearic acid-coated magnetic nanoparticles (SMN) and FU (5-Fluorouracil) were immobilized in the blends of neem oil-based polyesteramide and fabricated as nanofiber mat (NM) for controlled release of FU under the influence of an external magnetic field for targeted drug delivery to treat cancer efficiently. Analyzed the surface morphology of the fibers using E-SEM, it was observed that the fibers were smooth with the diameter ranging from 250 to 450 nm. TEM studies showed the uniform distribution of SMN in the nanofibers. The physico-chemical properties of NM and raw materials were analyzed using FTIR, TGA, and XRD. The results suggested that the polymers were well blended. In-vitro FU release studies of the NMs recorded a significant difference in the cumulative percentage of FU release from SMN-NMs. The SMN-NMs released 95\% of FU in 4 h, whereas, NMs released 83\% of FU in 24 h. The cell viability assay for the NM was evaluated in the L929 mouse fibroblast cells, where \>75\% of cells were viable. The hemolysis assay for the developed SMN-NF showed \<5\% of hemolysis, which indicated the NMs were safe for application. The anti-cancer activity of FU loaded SMN-NF was analyzed in the MCF-7 cancer cell line, which recorded more than 50\% cell death within 24 h. From SQUID analysis, we found that the 10\% SMN were superparamagnetic in nature, the magnetization at 30 kOe was observed to be 4.3 emu/g. Based on the in vitro results, we concluded that the developed SMN-NMs are recommended for in vivo studies to understand their efficacy for the targeted drug delivery to treat cancer.
}, keywords = {5-Fluorouracil, drug release, electrospinning, Magnetic nanoparticles, nanofibers, Stearic acid}, issn = {1773-2247}, doi = {10.1016/j.jddst.2022.103629}, author = {Patel, Pratikshkumar R. and Singam, Amarnath and Dadwal, Arun and Gundloori, Rathna Venkata Naga} } @article {48346, title = {Blue fluorescence of cyano-tryptophan predicts local electrostatics and hydrogen bonding in biomolecules}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {DEC}, pages = {10732-10740}, type = {Article}, abstract = {
Cyano-tryptophan is an unnatural fluorescent amino acid that emits in the visible region. Along with the structural similarity with tryptophan, the unique photophysical properties of this fluorophore make it an ideal probe for biophysical research. Herein, combining fluorescence spectroscopy, infrared spectroscopy, and molecular dynamics simulations, we show that the cyano-tryptophan{\textquoteright}s emission energy quantifies the underlying bond-specific noncovalent interactions in terms of the electric field. We further report the use of fluorophore{\textquoteright}s emission energy to predict its hydrogen bond characteristics. We demonstrate that combining experiments with molecular dynamics simulations can provide the hydrogen bonding status of the nitrile moiety. In addition, we report a method to differentiate between aqueous and nonaqueous hydrogen-bonding partners. Using a phenomenological approach, we demonstrate that the presence of the cyano-indole moiety is responsible for the distinct correlations between the fluorophore{\textquoteright}s emission and the electrostatic forces on the nitrile bond. As indole is a privileged scaffold for both native amino acids and nucleobases, cyano-indoles will have many multifaceted applications.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.2c05848}, author = {Haldar, Tapas and Chatterjee, Srijan and Alam, Md Nirshad and Maity, Pradip and Bagchi, Sayan} } @article {48218, title = {Boosting electrochemical CO2 reduction to methane via tuning oxygen vacancy concentration and surface termination on a copper/ceria catalyst}, journal = {ACS Catalysis}, volume = {12}, year = {2022}, month = {SEP}, pages = {10973-10983}, type = {Article}, abstract = {
Metal oxides are a promising material for designing highly active and selective catalysts for the electrochemical reduction of carbon dioxide (CO2RR). Here, we designed a Cu/ceria catalyst with high selectivity of methane production at single-atomic Cu active sites. Using this, we report favorable design concepts that push the product selectivity of methane formation by combining detailed structural analysis, density functional theory (DFT), in situ Raman spectroscopy, and electrochemical measurements. We demonstrate that a higher concentration of oxygen vacancies on the catalyst surface, resulting from more available Cu+ sites, enables high selectivity for methane formation during CO2RR and can be controlled by the calcination temperature. The DFT calculation and in situ Raman studies indicate that pH controls the surface termination; a more alkaline pH generates hydroxylated surface motifs with more active sites for the hydrogen evolution reaction. These findings provide insights into designing an efficient metal oxide electrocatalyst by controlling the atomic structure via the reaction environment and synthesis conditions.
}, keywords = {copper-ceria, electrochemical CO2 reduction, electrolyte pH, gas diffusion electrode, methane production, Oxygen vacancy}, issn = {2155-5435}, doi = {10.1021/acscatal.2c02669}, author = {Patra, Kshirodra Kumar and Liu, Zhu and Lee, Hojeong and Hong, Seungwon and Song, Hakhyeon and Abbas, Hafiz Ghulam and Kwon, Youngkook and Ringe, Stefan and Oh, Jihun} } @article {48205, title = {BQ-AurIPr: a redox-active anticancer Au(i) complex that induces immunogenic cell death}, journal = {Chemical Science}, volume = {13}, year = {2022}, month = {SEP}, pages = {10779-10785}, type = {Article}, abstract = {
Immunogenic Cell Death (ICD) is a unique cell death mechanism that kills cancer cells while rejuvenating the anticancer immunosurveillance, thereby benefiting the clinical outcomes of various immuno-chemotherapeutic regimens. Herein, we report development of a library of benzo[a]quinolizinium-based Au(i) complexes through an intramolecular amino-auration reaction of pyridino-alkynes. We tested 40 candidates and successfully identified BQ-AurIPr as a novel redox-active Au(i) complex with potent anticancer properties. BQ-AurIPr efficiently triggered generation of DAMPs - the hallmarks of ICD - and was superior in terms of efficiency compared to FDA-approved drugs known to induce ICD. BQ-AurIPr significantly increased immunogenicity of cancer cells enhancing their phagocytosis when co-cultured with immune cells. Our investigation reveals that BQ-AurIPr induces oxidative stress inside mitochondria leading to mitophagy, as the mechanism for immunogenic cell death in A549 cells.
}, issn = {2041-6520}, doi = {10.1039/d2sc03756d}, author = {Mule, Ravindra D. and Kumar, Akhilesh and Sancheti, Shashank P. and Senthilkumar, B. and Kumar, Himanshu and Patil, Nitin T.} } @article {47795, title = {Cardol: Cashew nut shell liquid (CNSL) - derived starting material for the preparation of partially bio-based epoxy resins}, journal = {European Polymer Journal}, volume = {166}, year = {2022}, month = {MAR}, pages = {111029}, type = {Article}, abstract = {Cardol is one of the interesting constituents of cashew nut shell liquid (CNSL) - a by-product of cashew processing industry- and it amounts to 15{\textendash}20\% by weight in natural CNSL. Chemically, cardol is a 15-carbon chain-substituted resorcinol wherein the side chain predominately contains mixture of one, two and three double bonds. Cardol on reaction with epichlorohydrin in the presence of sodium hydroxide afforded diglycidyl ether of cardol (DGEC). DGEC is a viscous free-flowing liquid (bulk viscosity 70 cP at 25~{\textdegree}C) and thus offers advantages in terms of ease of processing. DGEC and various compositions of DGEC with commercially available diglycidyl ether of bisphenol A (DGEBA) were cured with two amine hardeners, namely, isophorone diamine (IPDA) and diethylene triamine (DETA). The effects of different ratios of amine/epoxy (nah/ne) on cure characteristics were studied. The epoxy thermosets were characterized by DSC, TGA, DMA and tensile testing. DSC analysis showed glass transition temperature (Tg) values in the range 63{\textendash}155~{\textdegree}C for IPDA-cured thermosets, while DETA-cured thermosets exhibited Tg values in the range 45{\textendash}145~{\textdegree}C. Td5\% values, determined by TG analysis of epoxy thermosets, were in the range 347{\textendash}359~{\textdegree}C indicating their reasonably good thermal stability. Dynamic mechanical analysis showed storage modulus (E{\textquoteright}) in the range 0.75{\textendash}2.54 GPa and 0.51{\textendash}2.24 GPa for IPDA-cured and DETA-cured thermosets, respectively. The E{\textquoteright} value of epoxy thermosets was found to decrease with increase in molar proportion of DGEC in the formulations with DGEBA while elongation at break was found to increase from 3.1\% to 9.7\% and 2.8\% to 5.1\% for IPDA- and DETA-cured systems, respectively. SEM images of cryogenically fractured surfaces of cured thermosets based on studied compositions of DGEBA and DGEC did not indicate any phase separation implying homogeneous mixing of both the epoxy resins.}, keywords = {bio-based, Cardol, cashew nut shell liquid (CNSL), Epoxy resins, Storage modulus}, issn = {0014-3057}, doi = {https://doi.org/10.1016/j.eurpolymj.2022.111029}, url = {https://www.sciencedirect.com/science/article/pii/S0014305722000337}, author = {Ketan Makwana and Amol B. Ichake and Vinayak Valodkar and G. Padmanaban and Manohar V. Badiger and Prakash P. Wadgaonkar} } @article {48192, title = {Case report: a fatal case of babesiosis in a splenectomized male patient from Western India}, journal = {American Journal of Tropical Medicine and Hygiene}, volume = {106}, year = {2022}, month = {MAY}, pages = {1421-1425}, type = {Article}, abstract = {
Human babesiosis is a rare disease, caused by Babesia species and commonly transmitted by tick bite. Although human babesiosis is known to be asymptomatic in immunocompetent hosts, clinical cases of severe babesiosis have been reported from splenectomized or immunocompromised individuals. To our knowledge, only one case of human babesiosis in India has been previously reported. Here, we report a case of severe babesiosis with high parasitemia (similar to 70\%) in a 30-year-old asplenic farmer. The patient presented with fever, yellowish discoloration of skin, oliguria, and anemia; he eventually developed multiorgan failure syndrome and died. Peripheral blood films were prepared and used to confirm the presence of piroplasms by microscopy. Total DNA isolated from blood was used for 18S ribosomal RNA gene fragment amplification by polymerase chain reaction, which was subjected to Sanger sequencing. Although 18S sequence indicated that the Babesia species infecting the patient was similar to that of other Babesia species originating from wild mammals, species identification could not be done. Phylogenetic analysis revealed that the patientderived pathogen is distinct because it forms a separate clade in the cladogram.
}, issn = {0002-9637}, doi = {10.4269/ajtmh.20-1118}, author = {Godbole, Ravi and Gaur, Avantika and Nayar, Priyanka and Kiruthiga, Kala and D{\textquoteright}Costa, Pradeep and Manchanda, Rumma and Khilari, Ajinkya and Shanmugam, Dhanasekaran and Muglikar, Kalpana D. and Kundu, Krishnendu} } @article {47895, title = {Catalytic activity of CuFe2O4 spinel oxide for liquid-phase oxidation of cinnamyl alcohol}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {FEB}, pages = {e202104441}, type = {Article}, abstract = {
CuFe2O4 spinel oxide catalyst was synthesized by sol-gel and co-precipitation methods for liquid phase oxidation of Cinnamyl alcohol (CnOH) to Cinnamaldehydes (CnHO) using tert-Butyl hydroperoxide (TBHP) as oxidising agent. Spinel oxide catalyst was characterized by different techniques such as X-ray diffraction (XRD), N-2 adsorption-desorption, BET surface area, and X-ray photoelectron spectroscopy (XPS) to understand the structural, physical properties and oxidation state of the catalyst. The result shows that catalyst prepared by sol-gel method was found higher surface area and smaller crystalline size than co-precipitation method. XPS data confirm the formation of Cu2+ in the spinel which helps to improve the catalytic activity of oxidation. This reaction follows radical mechanism, and exhibited 76.7 \% of CnOH conversion and 68.4 \% of CnHO, and 24.8 \% benzaldehyde (benzald) selectivity using TBHP at 60 degrees C. Kinetic data reveal that 41.2 kJ/mol of activation energy for the reaction. The higher activity of spinel oxide catalyst could be due synergetic effect of spinel (88 \%) and oxides (12 \%) formed in the catalyst, which helps to provide the oxygen during reaction. The contribution of Cu2+ is higher in sol-gel than co-precipitation, which may provide the better reactivity of catalyst. This work helps to select the effective and cost-effective catalyst for the oxidation of CnOH.
}, keywords = {Catalysts, Cinnamaldehyde, Cinnamyl Alcohol, Cupper, iron, oxide, spinel}, issn = {2365-6549}, doi = {10.1002/slct.202104441}, author = {Dange, Rutvija M. and Niphadkar, Prashant S. and Bokade, Vijay V. and Nandanwar, Sachin U.} } @article {48023, title = {Catalytic conversion of sucrose to 1,2-propanediol over alumina-supported Ni-Mo bimetallic catalysts}, journal = {Sustainable Energy \& Fuels}, volume = {6}, year = {2022}, month = {JUL}, pages = {3681-3689}, type = {Article}, abstract = {
Ni-Mo supported on gamma-Al2O3 catalysts were synthesized to test its catalytic activity towards sucrose to 1,2-propanediol (1,2-PDO) conversion. The catalyst system was characterized using various physicochemical methods, including XRD, BET, py-FTIR, XPS, FE-SEM, HR-TEM and ICP. The metal combination of 8\%Ni-20\%Mo/gamma-Al2O3 is found to be effective in producing a good yield of 1,2-propanediol (similar to 74\%) under mild reaction conditions of 180 degrees C, 40 bar H-2 pressure and a run time of 4.5 h in a batch reaction. The activity of the active catalyst over various substrates such as cellulose, glucose, fructose and real-source biomass has also been investigated. XPS analysis of the active catalyst confirms the various oxidation states of the metals Ni and Mo in the active catalyst. The py-IR results show that the optimum Lewis to Bronsted acidic site ratio is responsible for the selective conversion of sucrose to 1,2-PDO. The presence of interparticle mesopores on gamma-Al2O3 helps in the high conversion of sucrose. Furthermore, the catalyst has been found reusable for four consecutive runs without any structural or morphological changes.
}, issn = {2398-4902}, doi = {10.1039/d2se00610c}, author = {Sreekantan, Sreejith and Kirali, Arun Arunima Balachandran and Marimuthu, Banu} } @article {47767, title = {CdS cubane type clusters encapsulated by rolling of single layer reduced graphene oxide sheets for enhanced mechanical energy harvesting}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {276}, year = {2022}, month = {FEB}, pages = {115528}, type = {Article}, abstract = {Composites with Single Layer Graphene Oxide (SLGO) sheets are extremely difficult to achieve, irrespective of the current advancements in graphene composites research. The difficulties in exfoliating the graphite oxide (GO) was associated with a strong interaction among the edge sides of the adjacent layers. This in-turn barricades the foreign intruders to interact with the basal plane, thereby restraining one to form composites with SLGO sheets. In this work, we had successfully exfoliated GO through a spacer [Cd(OAc)(2) + polyethylene glycol (PEG)] to result in nano-engineered CdS cubane-type clusters in rolled up SLGO to form graphene oxide complex compound (GOCC), resembling carbon nanotubes (CNTs). The CdS cubane-type clusters were found to interacting with the carbon skeleton of rolled reduced SLGO sheet through a Manogate{\textquoteright} structures, which was supported by density functional theory (DFT) calculations. Our theoretical study reveals that the obtained complex compound (GOCC) is thermodynamically more favourable than its ancestor materials (CdS cubane and empty CNT). Flexible piezoelectric nanogenerators (PENGs) fabricated from GOCC and thermoplastic polyurethane (TPU) resulted in output voltage (V-oc) of 4.5 V and output current of 0.4 mu A at applied force of 13 N. The nanoengineering helps to achieve superior mechanical energy harvesting performance for GOCC compared to pristine CdS, which demonstrate the potential of nanogate structures to enhance the intrinsic properties of materials.}, keywords = {Graphene oxide complex compound, Nanogate structure, New material, Novel procedure, Piezoelectric nanogenerator, SLGO}, issn = {0921-5107}, doi = {10.1016/j.mseb.2021.115528}, author = {Kumar, Praveen and Ram, Farsa and Shanmuganathan, Kadhiravan and Luwang, Meitram Niraj} } @article {48206, title = {CdSe quantum dot-based nanocomposites for ultralow-power memristors}, journal = {ACS Applied Nano Materials}, volume = {5}, year = {2022}, month = {JUN}, pages = {8502-8510}, type = {Article}, abstract = {
The explosion in digital communication with the huge amount of data and the internet of things (IoT) led to the increasing demand for data storage technology with faster operation speed, high-density stacking, nonvolatility, and low power consumption for saving energy. Metal chalcogenide-based quantum dots (QDs) show excellent nonvolatile resistive memory behavior owing to their tunable electronic states and control in trap states by passivating the surface with different ligands. Here, we synthesized high-quality colloidal monodispersed CdSe QDs by the hot injection method. The CdSe QDs were blended with an organic polymer, poly(4-vinylpyridine) (PVP), to fabricate an Al\textbackslashCdSe-PVP\textbackslashAl device. Our device shows excellent bipolar nonvolatile resistive random access memory (RRAM) switching behavior with a high current ON/OFF ratio (I-ON/OFF) of 6.1 x 10(4), and it consumes ultralow power. The charge trapping and detrapping in the potential well formed by the CdSe QD and PVP combination result in resistive switching. This CdSe-PVP-based resistive random access memory (RRAM) device with a high I-ON/OFF, ultrafast switching speed, high endurance, low operating voltage, and long retention period can be used as a high-performance and ultralow-power memristive device.
}, keywords = {memory switching, memristor, metal chalcogenides, nonvolatile, quantum dots}, doi = {10.1021/acsanm.2c01894}, author = {Bera, Jayanta and Betal, Atanu and Sharma, Ashish and Shankar, Uday and Rath, Arup Kumar and Sahu, Satyajit} } @article {48038, title = {Ce promoted Cu/?-Al2O3 catalysts for the enhanced selectivity of 1,2-pro-panediol from catalytic hydrogenolysis of glucose}, journal = {Catalysis Communications}, volume = {165}, year = {2022}, month = {MAY}, pages = {106447}, type = {Article}, abstract = {
Ce promoted Cu/gamma-Al2O3 catalysts were prepared with varying amounts of Cu (x = 0-10 wt\%) and Ce (y = 0-15 wt\%). The prepared catalysts were characterized and tested for the conversion of aqueous glucose (5 wt\%) to 1,2propanediol in a batch reactor. 10\%Ce-8\%Cu/gamma-Al2O3 \& nbsp;showed the complete conversion of glucose with 62.7\% selectivity of 1,2-propanediol and total glycols (1,2-propanediol, ethylene glycol \& 1,2-butanediol) of 81\% at milder reaction conditions. Cu facilitated the hydrogenation activity and Ce loading optimize the acid/base sites of Cu/gamma-Al2O3 which obtain high selectivity of 1, 2-propanediol. Catalyst reusability is reported.
}, keywords = {2-Propanediol
,
1, Cu-Ce catalyst, ethylene glycol, Gamma alumina, Glucose hydrogenolysis}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106447}, author = {Kirali, Arun Arunima Balachandran and Sreekantan, Sreejith and Marimuthu, Banu} } @article {48173, title = {Characterization of axial dispersion in a vertical helical coil for gas-liquid-liquid flow at low Reynolds numbers}, journal = {Reaction Chemistry \& Engineering}, volume = {7}, year = {2022}, month = {MAY }, pages = {1083-1095}, type = {Article}, abstract = {
Gas-liquid-liquid (GLL) slug flow reactors offer several advantages like higher interfacial area, excellent mass transfer, and lower backmixing. Mesoscale (diameter similar to a few mm) helical coiled reactors operating in a slug flow regime can be used as GLL reactors even for reactions with long residence times. The long residence time invariably leads to low Reynolds number flows, which makes the backmixing or axial dispersion an important parameter influencing reactor performance. In this work, we have characterized the residence time distribution (RTD) and axial dispersion for single, gas-liquid, liquid-liquid, and gas-liquid-liquid flows through a vertical helical coil. Slow flows with low Reynolds numbers (\<100) were considered. RTD measurements were carried out with a step input and the outlet concentration was tracked by measuring light absorbance using a spectrophotometer. The applicability of the axial dispersion model was examined and verified for the studied systems. The axial dispersion was quantified in terms of dispersion coefficients. A significant reduction in the axial dispersion was observed by virtue of multiphase operation, in the order single \> gas-liquid \> liquid-liquid \> gas-liquid-liquid flow. This characterization of backmixing for multiphase flows in curved geometries will be helpful in the optimization of slow reactions in flow and also for processes like nanoparticle synthesis, crystallization, etc.
}, issn = {2058-9883}, doi = {10.1039/d1re00309g}, author = {Khan, Muzammil and Joshi, Sunil and Ranade, Vivek} } @article {47706, title = {Characterized constituents of insect herbivore oral secretions and their influence on the regulation of plant defenses}, journal = {Phytochemistry}, volume = {193}, year = {2022}, month = {JAN}, pages = {113008}, type = {Article}, abstract = {For more than 350 million years, there have been ongoing dynamic interactions between plants and insects. In several cases, insects cause-specific feeding damage with ensuing herbivore-associated molecular patterns that invoke characteristic defense responses. During feeding on plant tissue, insects release oral secretions (OSs) containing a repertoire of molecules affecting plant defense (effectors). Some of these OS components might elicit a defense response to combat insect attacks (elicitors), while some might curb the plant defenses (suppressors). Few reports suggest that the synthesis and function of OS components might depend on the host plant and associated microorganisms. We review these intricate plant-insect interactions, during which there is a continuous exchange of molecules between plants and feeding insects along with the associated microorganisms. We further provide a list of commonly identified inducible plant produced defensive molecules released upon insect attack as well as in response to OS treatments of the plants. Thus, we describe how plants specialized and defense-related metabolism is modulated at innumerable phases by OS during plant-insect interactions. A molecular understanding of these complex interactions will provide a means to design eco-friendly crop protection strategies.}, keywords = {Effector, Elicitor, Herbivore insects, Oral secretion, Plant defense, Suppressor}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.113008}, author = {Kallure, Gopal S. and Kumari, Archana and Shinde, Balkrishna A. and Giri, Ashok P.} } @article {48026, title = {Choline-amino acid-derived bio-ionic liquids for solubility enhancement of zafirlukast}, journal = {AAPS Pharmscitech}, volume = {23}, year = {2022}, month = {MAY}, pages = {146}, type = {Article}, abstract = {
This study investigated the application of bio-ionic liquids (ILs) prepared from choline as cation and amino acid as anion for solubility enhancement of poorly water-soluble drug, Zafirlukast (ZFL). Herein, the solubility of ZFL in water and mixtures of water and ILs was assessed using UV spectroscopy at two temperature points 25 degrees C and 37 degrees C with increasing concentrations of IL. ZFL solubility was found to improve linearly with increasing concentration of [Ch][Pro] in water, representing 35- to 37-fold improvement in ZFL solubility at maximum concentration of [Ch][Pro] (1\% w/v) compared to when only pure water was present. Also, the effect of IL on ZFL solubility was analyzed using NMR, DSC, and TGA. These results clearly suggest that ZFL solubility was increased by forming hydrogen bonds with selected [Ch][Pro] IL. Toxicity study of ILs was tested against gram-positive and gram-negative bacteria. Since IL solvent was found to increase the solubility of ZFL, this may serve as {\textquoteleft}{\textquoteleft}functional excipient solvent{\textquoteright}{\textquoteright} for solubility enhancement in its commercialized formulations.
}, keywords = {Amino acids, choline chloride, Ionic liquid, solubility, zafirlukast}, issn = {1530-9932}, doi = {10.1208/s12249-022-02296-8}, author = {Gaikwad, Namrata and Kudal, Swapna and Avachat, Amelia M.} } @article {48009, title = {cis-aziridine synthon based synthetic investigation for tamiflu employing horner-wadsworth-emmons reaction}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {JUL }, pages = {e202200384}, type = {Article}, abstract = {
Synthetic investigations to achieve a novel intermediate of Tamiflu by using cis-aziridine as a chiral building block, which is readily synthesized from (D)-mannitol as a renewable starting material, has been presented. The present approach utilizes the intramolecular Horner-Wadsworth-Emmons reaction as the key step for the synthesis of Tamiflu. On the other hand, diene containing allylic aziridine framework is found to be inefficient to furnish the six-membered core skeleton of Tamiflu through ring-closing metathesis reaction.
}, keywords = {Aziridine, cyclization, HWE reaction, Metathesis, Tamiflu}, issn = {1434-193X}, doi = {10.1002/ejoc.202200384}, author = {Chavan, Subhash P. and Kawale, Sanket A. and Gonnade, Rajesh G.} } @article {48020, title = {C-O hydrogenolysis of C3-C4 polyols selectively to terminal diols over Pt/W/SBA-15 catalysts}, journal = {Catalysts}, volume = {12}, year = {2022}, month = {SEP}, pages = {1070}, type = {Article}, abstract = {
Pt/W/SBA-15 catalysts (with Pt-loading = 0.5-4 wt\% and W-loading = 1 wt\%) prepared by the sequential impregnation method were evaluated for selective C-O cleavage of erythritol and glycerol in an aqueous medium. The Pt and W particles dispersed on SBA-15 approached close proximity at higher Pt loadings and afforded synergistic enhancement in C-O hydrogenolysis activity/selectivity. 1,4-Butanediol yields of 30.9\% (at 190 degrees C, 50 bar H-2 and 24 h) and 1,3-propanediol yields of 34.4\% (at 190 degrees C, 50 bar H-2 and 12 h of reaction) were obtained over these catalysts. Pt nanoparticles (facilitating dissociative H-2 adsorption and spillover) and W (present as acidic oligomeric WOx species; activating and coordinating the polyol via 1 degrees-OH group) worked in tandem for the selective hydrogenolysis of polyols yielding terminal diols of industrial demand.
}, keywords = {diol, Erythritol, Glycerol, Hydrodeoxygenation, Pt, SBA-15, W}, doi = {10.3390/catal12091070}, author = {Bhowmik, Susmita and Enjamuri, Nagasuresh and Marimuthu, Banu and Darbha, Srinivas} } @article {48420, title = {Cobalt-immobilized carbon-based nano-catalyst for Csingle bondN cross coupling reaction}, journal = {Results in Chemistry}, volume = {4}, year = {2022}, month = {JAN}, pages = {100682}, type = {Article}, abstract = {
CN\ cross coupling reaction\ is very important in synthesis of pharmaceuticals,\ natural products,\ agrochemicals, fine chemicals and functional materials. Traditionally,\ palladium\ or copper metals are used for CN coupling reaction. As palladium is expensive, we developed cobalt immobilized carbon-based nano-catalyst Co@CC for CN coupling. In this work, we synthesized non-noble metal-based Co@CC nano-catalyst by\ carbonization\ of glucose, it{\textquoteright}s functionalization followed by immobilization of cobalt on the surface of the catalyst. The catalyst was well characterized. The CN cross coupling reaction of various aryl\ halides\ \& amines using Co@CC nano-catalyst was optimized for solvent, reaction temperature \& catalyst\ concentration conditions. The catalyst showed high catalytic activity for CN coupling of various aryl halides \& amines to form aryl amines in good to excellent yield up to 91\ \% in\ sulfolane\ as a solvent at 150\ {\textdegree}C. The catalyst showed recyclability up to 5 times. The method developed for CN coupling reaction was noble metal free, ligand free, recyclable, sustainable, economical \& environmentally friendly.
}, doi = {10.1016/j.rechem.2022.100682}, author = {Bankar, Shubham R. and Kirdant, Swapnali P. and Jadhav, Vrushali H.} } @article {48166, title = {Colloidal MoS2 quantum dots for high-performance low power resistive memory devices with excellent temperature stability}, journal = {Applied Physics Letters}, volume = {120}, year = {2022}, month = {JUN}, pages = {253502}, type = {Article}, abstract = {
Conventional memory technologies are facing enormous problems with downscaling, and are hence unable to fulfill the requirement of big data storage generated by a huge explosion of digital information. A resistive random access memory device (RRAM) is one of the most emerging technologies for next-generation computing data storage owing to its high-density stacking, ultrafast switching speed, high non-volatility, multilevel data storage, low power consumption, and simple device structure. In this work, colloidal MoS2 quantum dots (QDs) embedded in an insulating matrix of poly-(4vinylpyridine) (PVP) were used as an active layer to fabricate a RRAM device. The MoS2 QDs-PVP based RRAM device reveals an excellent nonvolatile resistive switching (RS) behavior with a maximum current on-off ratio (I-ON/I-OFF) of 10(5). High endurance, long retention time, and successive {\textquoteleft}{\textquoteleft}write-read-erase-read{\textquoteright}{\textquoteright} cycles indicate high-performance RRAM characteristics. The ultimate power consumption by this RRAM device is considerably low for energy saving. In addition, the MoS2 QDs-PVP based device shows RS behavior even at 130 degrees C. High I-ON/I-OFF, low operating power, high endurance, long retention time, and excellent stability with temperatures reveal that the MoS2 QDs-PVP based device can be a promising candidate for high-performance low power RRAM devices that can be operated at relatively higher temperatures. Published under an exclusive license by AIP Publishing.
}, issn = {0003-6951}, doi = {10.1063/5.0094892}, author = {Bera, Jayanta and Betal, Atanu and Sharma, Ashish and Rath, Arup Kumar and Sahu, Satyajit} } @article {47671, title = {Combinatorial therapy using RNAi and curcumin nano-architectures regresses tumors in breast and colon cancer models}, journal = {Nanoscale}, volume = {14}, year = {2022}, month = {JAN }, pages = {492-505}, type = {Article}, abstract = {Cancer is a debilitating disease and one of the leading causes of death in the world. In spite of the current clinical management being dependent on applying robust pathological variables and well-defined therapeutic strategies, there is an imminent need for novel and targeted therapies with least side effects. RNA interference (RNAi) has gained attention due to its precise potential for targeting multiple genes involved in cancer progression. Nanoparticles with their enhanced permeability and retention (EPR) effect have been found to overcome the limitations of RNAi-based therapies. With their high transportation capacity, nanocarriers can target RNAi molecules to tumor tissues and protect them from enzymatic degradation. Accumulating evidence has shown that tyrosine kinase Ephb4 is overexpressed in various cancers. Therefore, we report here the development and pre-clinical validation of curcumin-chitosan-loaded: eudragit-coated nanocomposites conjugated with Ephb4 shRNA as a feasible bio-drug to suppress breast and colon cancers. The proposed bio-drug is non-toxic and bio-compatible with a higher uptake efficiency and through our experimental results we have demonstrated the effective site-specific delivery of this biodrug and the successfull silencing of their respective target genes in vivo in autochthonous knockout models of breast and colon cancer. While mammary tumors showed a considerable decrease in size, oral administration of the biodrug conjugate to Apc knockout colon models prolonged the animal survival period by six months. Hence, this study has provided empirical proof that the combinatorial approach involving RNA interference and nanotechnology is a promising alliance for next-generation cancer therapeutics.}, issn = {2040-3364}, doi = {10.1039/d1nr04411g}, author = {Kumar, Aviral and Singam, Amarnath and Swaminathan, Guruprasadh and Killi, Naresh and Tangudu, Naveen Kumar and Jose, Jedy and Gundloori, Rathna V. N. and Kumar, Lekha Dinesh} } @article {48233, title = {Comparative analysis and structural modeling of elaeis oleifera FAD2, a fatty acid desaturase involved in unsaturated fatty acid composition of american oil palm}, journal = {Biology-Basel}, volume = {11}, year = {2022}, month = {APR}, pages = {529}, type = {Article}, abstract = {
Simple Summary Palm oil has become the world{\textquoteright}s most important vegetable oil in terms of production quantity, and its overall demand is exponentially growing with the global population. The fatty acid composition and particularly the oleic/linoleic acid ratio are major factors influencing palm oil quality. In this study, we focused on FAD2, a fatty acid desaturase enzyme involved in the desaturation and conversion of oleic acid to linoleic acid in Elaeis oleifera, identified through in silico annotation analysis. Our phylogenetic and comparative studies revealed two SNP markers, SNP278 and SNP851, significantly correlated with the oleic/linoleic acid contents. Our study provides fundamental insights into the mechanism of fatty acids synthesis in oil palm and could support the application of molecular biology techniques to enhance the enzymatic activity and substrate affinity of EoFAD2. American oil palm (Elaeis oleifera) is an important source of dietary oil that could fulfill the increasing worldwide demand for cooking oil. Therefore, improving its production is crucial and could be realized through breeding and genetic engineering approaches aiming to obtain high-yielding varieties with improved oil content and quality. The fatty acid composition and particularly the oleic/linoleic acid ratio are major factors influencing oil quality. Our work focused on a fatty acid desaturase (FAD) enzyme involved in the desaturation and conversion of oleic acid to linoleic acid. Following the in silico identification and annotation of Elaeis oleifera FAD2, its molecular and structural features characterization was performed to better understand the mechanistic bases of its enzymatic activity. EoFAD2 is 1173 nucleotides long and encodes a protein of 390 amino acids that shares similarities with other FADs. Interestingly, the phylogenetic study showed three distinguished groups where EoFAD2 clustered among monocotyledonous taxa. EoFAD2 is a membrane-bound protein with five transmembrane domains presumably located in the endoplasmic reticulum. The homodimer organization model of EoFAD2 enzyme and substrates and respective substrate-binding residues were predicted and described. Moreover, the comparison between 24 FAD2 sequences from different species generated two interesting single-nucleotide polymorphisms (SNPs) associated with the oleic/linoleic acid contents.
}, keywords = {FAD2, Fatty acids, in silico annotation, linoleic acid ratio, oil palm, oleic, SNP, structural modeling}, doi = {10.3390/biology11040529}, author = {Ben Ayed, Rayda and Chirmade, Tejas and Hanana, Mohsen and Khamassi, Khalil and Ercisli, Sezai and Choudhary, Ravish and Kadoo, Narendra and Karunakaran, Rohini} } @article {48074, title = {Comparative investigation on the catalytic performance of HT/SBA-15 and SBA-15/HT composites for the isomerization of glucose to fructose}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {286}, year = {2022}, month = {DEC}, pages = {116052}, type = {Article}, abstract = {
Hydrotalcites (HT) have a broad spectrum of applications as prosperous heterogeneous catalysts for diverse chemical transformations. The catalytic activity of HT-based materials can be tailored by introducing siliceous material into the internal or external framework. The surface modification of the HT framework with silica mesostructures leads to the formation of versatile Lewis base, Bronsted base and redox catalytic active sites. This work presents the comparative evaluation of the catalytic performance of HT/SBA-15 and SBA-15/HT composites for the isomerization of glucose to fructose using 1-butanol as a solvent. The composites with different external morphology were prepared by a modified template-assisted hydrothermal method, using different HT to SBA-15 proportions. The textural and morphological characterization results conferred the efficiency of the employed post-synthetic intercalation strategy to achieve the successful formation of HT/SBA-15 and SBA-15/HT composites. With optimal HT loading and surface basicity, the HTS-3 composite demonstrated the highest catalytic performance, resulting in good glucose conversions (54 \%) with improved selectivity (\>83 \%). The observed high reactivity could be mainly attributed to the extensive dispersion of HT particles on the SBA-15 component, which contributes to a significant increase in textural properties and surface basicity. Furthermore, special attention is devoted to addressing such reactivity phenomena as active site selectivity, catalyst multifunctionality and multisite reactivity commonly encountered in mesoporous catalysis.
}, keywords = {composites, glucose, hydrotalcite, isomerization, SBA-15}, issn = {0921-5107}, doi = {10.1016/j.mseb.2022.116052}, author = {Manikandan, Marimuthu and Arjunan, Ayyappan and Prabu, Marimuthu and Raja, Thirumalaiswamy and Sangeetha, Palanivelu} } @article {48152, title = {Comparative study of polycaprolactone electrospun fibers and casting films enriched with carbon and nitrogen sources and their potential use in water bioremediation}, journal = {Membranes}, volume = {12}, year = {2022}, month = {MAR}, pages = {327}, type = {Article}, abstract = {
Augmenting bacterial growth is of great interest to the biotechnological industry. Hence, the effect of poly (caprolactone) fibrous scaffolds to promote the growth of different bacterial strains of biological and industrial interest was evaluated. Furthermore, different types of carbon (glucose, fructose, lactose and galactose) and nitrogen sources (yeast extract, glycine, peptone and urea) were added to the scaffold to determinate their influence in bacterial growth. Bacterial growth was observed by scanning electron microscopy; thermal characteristics were also evaluated; bacterial cell growth was measured by ultraviolet-visible spectrophotometry at 600-nm. Fibers produced have an average diameter between 313 to 766 nm, with 44\% superficial porosity of the scaffolds, a glass transition around similar to 64 degrees C and a critical temperature of similar to 338 degrees C. The fibrous scaffold increased the cell growth of Escherichia coli by 23\% at 72 h, while Pseudomonas aeruginosa and Staphylococcus aureus increased by 36\% and 95\% respectively at 48 h, when compared to the normal growth of their respective bacterial cultures. However, no significant difference in bacterial growth between the scaffolds and the casted films could be observed. Cell growth depended on a combination of several factors: type of bacteria, carbon or nitrogen sources, casted films or 3D scaffolds. Microscopy showed traces of a biofilm formation around 3 h in culture of P. aeruginosa. Water bioremediation studies showed that P. aeruginosa on poly (caprolactone)/Glucose fibers was effective in removing 87\% of chromium in 8 h.
}, keywords = {bacterial growth, carbon source, electrospinning, nitrogen source, poly (caprolactone)}, doi = {10.3390/membranes12030327}, author = {Alejandra Pompa-Monroy, Daniella and Leticia Iglesias, Ana and Gulam Dastager, Syed and Namdeo Thorat, Meghana and Olivas-Sarabia, Amelia and Valdez-Castro, Ricardo and Angelica Hurtado-Ayala, Lilia and Manuel Cornejo-Bravo, Jose and Lizeth Perez-Gonzalez, Graciela and Jesus Villarreal-Gomez, Luis} } @article {48421, title = {Comparison of hydrodynamic characteristics of Tulsion and Siran immobilised beads in a fluidised bed bioreactor}, journal = {Biocatalysis and Agricultural Biotechnology}, volume = {43}, year = {2022}, month = {AUG}, pages = {102428}, type = {Article}, abstract = {
The fluidised bed reactors are successfully utilised in various bioprocesses to produce\ high value products\ using\ immobilised cells\ and enzymes. The present work aims at evaluating hydrodynamic characteristics of a three phase fluidised bed\ bioreactor\ using Tulsion{\textregistered} A-1X MP, Tulsion{\textregistered} ADS-400 and Tulsion{\textregistered} ADS-800,\ polystyrene\ and polyacrylic based three types of free and\ immobilised cells\ solid carriers viz. and comparing their performance with Siran{\textregistered} SIKUG41 glass beads. The hydrodynamic parameters such as particle density (cells and beads), drag coefficient, minimum and maximum\ fluidisation\ velocity, particle settling velocity were estimated and compared in water and biological media (E2 and MSM) having varying rheological properties. The relationships between drag coefficient (CD){\textendash}Reynolds numbers (NRe), superficial liquid velocity (Uf){\textendash}void fraction(ε), expansion index(n){\textendash}NRe\ were obtained.
}, doi = {10.1016/j.bcab.2022.102428}, author = {Kashid, Shweta and Joshi, Kalpana and Nene, Sanjay} } @article {47893, title = {Competing intra- vs intermolecular nitrene transfer in the [Au]-catalysed reaction of 2-alkynylphenylazides}, journal = {Advanced Synthesis \& Catalysis}, volume = {364}, year = {2022}, month = {MAR}, pages = {1122-1133}, type = {Article}, abstract = {
The possibility of interrupting the gold-catalysed intramolecular cyclization of 2-alkynylphenylazide derivatives, employing known nitrene transfer reagents such as anthranil and its isomer 1,2-benzisoxazole, has been attempted in search of developing simple tools for product diversification. With 1,2-benzisoxazoles, the intermolecular nitrene transfer leading to quinazoline is competitive with intramolecular azidoalkyne cyclization resulting in spiro indol-3-ylidene derivatives. However, in case of the reaction in the presence of anthranil, both intra- and intermolecular nitrene transfer processes result in the same product indol-3-ylidene.
}, keywords = {2-Benzisoxazole, Anthranil and 1, Gold catalysis, Nitrene Transfer, Quinazoline}, issn = {1615-4150}, doi = {10.1002/adsc.202101412}, author = {Dhote, Pawan S. and Ramana, V. Chepuri} } @article {48115, title = {Composition and surface morphology invariant high on-off ratio from an organic memristor}, journal = {ACS Applied Electronic Materials}, volume = {4}, year = {2022}, month = {MAR }, pages = {1109-1116}, type = {Article}, abstract = {
Material composition plays a crucial role in the device performance; thus, nonvolatile memory devices from a small molecule named 5-mercapto-1-methyl tetrazole (MMT) in an insulating polymer matrix of poly(4-vinyl pyridine) (PVP) were fabricated. The composition of the active material in the device was varied to observe its influence on the device{\textquoteright}s electronic properties. The device with a more or less weight ratio of MMT has a much smoother surface morphology, whereas when the contributions of MMT and PVP were equal, the average surface roughness increased. However, the maximum on-off current ratio for all the devices is 10(5), suggesting that the MMT molecule does not show any change in its characteristic properties when surrounded by an insulating material. When the device was fabricated without the polymer matrix, the surface morphology of the device completely changed as it was filled with large holes. These holes provide short-circuited pathways for the current by forming the direct metal contact between the top and bottom electrodes. The carrier transport through these devices follows various conduction mechanisms. Some of the dominating conduction mechanisms are direct tunneling and trap-free and trap-assisted space-charge-limited conduction.
}, keywords = {Nonvolatile memory, Polymer, small molecule, space-charge, tunneling}, doi = {10.1021/acsaelm.1c01234}, author = {Betal, Atanu and Bera, Jayanta and Sharma, Ashish and Rath, Arup K. and Sahu, Satyajit} } @article {48383, title = {Computational insights into hydroboration with acyclic alpha-Borylamido-germylene and stannylene catalysts: Cooperative dual catalysis the key to system efficiency}, journal = {Polyhedron}, volume = {222}, year = {2022}, month = {AUG}, pages = {115907}, type = {Article}, abstract = {
The chemistry of low valent main group compounds has grown as an alternative to the chemistry of less abundant and less green transition metal complexes. It has been found that low valent compounds such as carbenes, silylenes, stannylenes and germylenes are efficient for activating small molecules and for catalysis. However, the reaction mechanism and the factors that affect the rate of reaction are not completely understood. In this computational investigation with density functional theory (DFT), we investigate and demonstrate the efficiency of a new mechanism for the hydroboration of aldehydes by germylenes and stannylenes, in the presence of the common hydroborating agent, pinacolborane, HBpin. This mechanism involves an HBpin molecule as an additional catalyst that cooperates with the germylene or stannylene catalyst to efficiently carry out the hydroboration. This mechanism is first demonstrated to work for experimentally reported systems, and then shown to be efficient for newly proposed germylene and stannylene systems. These new systems are alpha-Borylamido-germylene ((2,6-iPr(2)C(6)H(3)NBCy(2))(2)Ge(II)) and alpha-Borylamido-stannylene((2,6-iPr(2)C(6)H(3)NBCy(2))(2)Sn(II)). These new insights will help researchers look into low valent germylene and stannylene chemistry from a new perspective.
}, keywords = {Catalysis of hydroboration, computational chemistry, Germylenes and stannylenes, Main group chemistry, New mechanism}, issn = {0277-5387}, doi = {10.1016/j.poly.2022.115907}, author = {Banerjee, Subhrashis and Vanka, Kumar} } @article {48213, title = {Concerted effect of Ni-in and S-out on ReS2 nanostructures towards high-efficiency oxygen evolution reaction}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAR}, pages = {3689-3692}, type = {Article}, abstract = {
Herein, a one-step hydrothermal reaction is developed to synthesize a Ni-doped ReS2 nanostructure with sulphur defects. The material exhibited excellent OER activity with a current density of 10 mA cm(-2) at an overpotential of 270 mV, a low Tafel slope of 31 mV dec(-1), and good long-term durability of 10 h in 1 M KOH. It shows high faradaic efficiency of 96\%, benefiting from the rapid charge transfer caused by the concerted effect of Ni-in and S-out on the ReS2 nanostructure.
}, issn = {1359-7345}, doi = {10.1039/d1cc07030d}, author = {Das, Tapas K. and Ping, Tapan and Mohapatra, Manoj and Anwar, Shahid and Gopinath, Chinnakonda S. and Jena, Bikash Kumar} } @article {48355, title = {Concise total synthesis of (+)-lanceolactone a: revision of absolute stereochemistry}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {OCT}, pages = {12867-12876}, type = {Article}, abstract = {
A chiral-pool protecting-group-free five-step total synthesis of tetranorsesquiterpenoide (+)-lanceolactone A and all of its four stereoisomers using (S)-(+)-, and (R)-(-)-linalool (coriandrol) as building blocks is disclosed. The key steps involved in this synthetic route are regioselective ozonolysis, Au(I)-catalyzed cycloisomerization-induced construction of furan from alleneone, and dye-sensitized photo-oxidation (through O-1(2) ; singlet oxygen) of hydroxyalkyl-tethered furan to access oxaspirolactone. After a thorough evaluation of electronic circular dichroism (ECD) and optical rotation data of all possible stereoisomers, the absolute configuration of natural lanceolactone A at the C4 and C7 positions has been assigned as (+)-(4S,7S), which is an enantiomer to the initially proposed structure (+)-(4R,7R). Further, these investigations led us to extend Feringa and Gawronski{\textquoteright}s CD correlation method to [5,5]- and [6,5]-oxaspirolactones.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.2c01450}, author = {Borade, Balasaheb R. and Kontham, Ravindar} } @article {48374, title = {Concurrent polyvalent interaction and electrocatalysis to improve lithium-sulfur battery performance}, journal = {Batteries \& Supercaps}, volume = {5}, year = {2022}, month = {FEB}, type = {Article}, abstract = {
Batteries with improved efficiency are desired. Li-S batteries are attractive due to their high specific capacity and energy density. However, sluggish sulfur redox reaction and polysulfide dissolution are significant challenges in Li-S batteries. In this work, we report graphene with doped layer to electrocatalyze the sluggish sulfur redox reaction. The doped layer comprises heteroatoms such as either N or N and S. The doped layer also comprises cations of Ni. We have chosen a {\textquoteleft}{\textquoteleft}doped layer on graphene{\textquoteright}{\textquoteright} over {\textquoteleft}{\textquoteleft}doped graphene{\textquoteright}{\textquoteright} to avoid defects in the basal plane of graphene. We found the doped layer comprising graphene (DLC-G) to electrocatalyze the polysulfide redox reaction. However, the interaction between the doped layer and polysulfide is still weak, hence the dissolution is not suppressed. To circumvent the polysulfide dissolution, graphene with cationic layer was prepared. We found that cations in the layer electrostatically attract the polysulfides due to the polyvalent interaction. Thus, the dissolution is suppressed. While using this material in the Li-S batteries, the specific capacity, energy density and power density were found to be 1345 mAh g(-1), 782 Wh kg(-1) and 4437 W kg(-1), respectively.
}, keywords = {electrocatalysis, graphene, lithium-sulfur battery, mechanical exfoliation, polyvalent interaction}, doi = {10.1002/batt.202100229}, author = {Kumar, Subramani and Krishnamoorthy, Kothandam} } @article {48122, title = {Co-Ni layered double hydroxide for the electrocatalytic oxidation of organic molecules: an approach to lowering the overall cell voltage for the water splitting process}, journal = {ACS Applied Materials \& Interfaces}, volume = {14}, year = {2022}, month = {APR}, pages = {16222-16232}, type = {Article}, abstract = {
Electrocatalytic oxidation of simple organic molecules oilers a promising strategy to combat the sluggish kinetics of the water oxidation reaction (WOR). The low potential requirement, inhibition of the crossover of gases, and formation of value-added products at the anode are benefits of the electrocatalytic oxidation of organic molecules. Herein, we developed cobalt-nickel-based layered double hydroxide (LDH) as a robust material for the electrocatalytic oxidation of alcohols and urea at the anode, replacing the WOR. A facile synthesis protocol to form LDHs with different ratios of Co and Ni is adapted. It demonstrates that the reactants could be efficiently oxidized to concomitant chemical products at the anode. The half-cell study shows an onset potential of 1.30 V for benzyl alcohol oxidation reaction (BAOR), 1.36 V for glycerol oxidation reaction (GOR), 1.33 V for ethanol oxidation reaction (EOR), and 1.32 V for urea oxidation reaction (UOR) compared with 1.53 V for WOR. Notably, the hybrid electrolyzer in a full-cell configuration significantly reduces the overall cell voltage at a 20 mA cm(-2) current density by similar to 15\% while coupling with the BAOR, EOR, and GOR and similar to 12\% with the UOR as the anodic half-cell reaction. Furthermore, the efficiency of hydrogen generation remains unhampered with the types of oxidation reactions (alcohols and urea) occurring at the anode. This work demonstrates the prospects of lowering the overall cell voltage in the case of a water electrolyzer by integrating the hydrogen evolution reaction with suitable organic molecule oxidation.
}, keywords = {electrocatalytic oxidation, energy conversion, imidazole mediated, Layered compounds, water splitting}, issn = {1944-8244}, doi = {10.1021/acsami.2c00982}, author = {Shilpa, Nagaraju and Pandikassala, Ajmal and Krishnaraj, Perayil and Walko, Priyanka S. and Devi, R. Nandini and Kurungot, Sreekumar} } @article {48030, title = {Construction of tetrahydrobenzo[f]quinoline scaffolds via polar [4+2]-Cycloaddition reaction with arynes as dienophiles}, journal = {Tetrahedron Letters}, volume = {101}, year = {2022}, month = {JUL}, pages = {153901}, type = {Article}, abstract = {
A transition-metal-free route has been developed for the direct synthesis of biologically significant tetrahydrobenzo[f]quinoline scaffolds. The reaction features polar [4 + 2] Diels-Alder cycloaddition reaction of arynes with a well-designed diene N-Boc protected vinyl tetrahydropyridine, followed by the isomerisation of the double bond leading to the formation of tetrahydrobenzo[f]quinoline scaffolds in good to moderate yields.
}, keywords = {Aryne, Diels-Alder, Diene, Tetrahydrobenzo[ f ]quinoline}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2022.153901}, author = {Pandya, Virat G. and Mhaske, Santosh B.} } @article {47994, title = {Controlled exchange bias behavior of manganese nanoparticles}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {559}, year = {2022}, month = {OCT}, pages = {169504}, type = {Article}, abstract = {
Mn(0) colloids were synthesized by solvated metal atom dispersion approach utilizing hexadecylamine, toluene, and THF as coordinating ligands. Mn-toluene and Mn-THF nanoparticles were found to be highly pyrophoric in nature and demand careful handling whereas, Mn-HDA nanoparticles undergo slow oxidation. TEM micrographs revealed formation of nanoparticles between 3 and 6 nm. Magnetic studies of these three samples displayed shift in the field-cooled M-H hysteresis loop which has been attributed to exchange bias behavior. The exchange bias field, HE measured at 5 K varies with change in coordinating ligands around the Mn center which are 1217 Oe, 4408 Oe and, 6350 Oe for Mn-HDA, Mn-toluene and Mn-THF nanoparticles, respectively. The large exchange bias field has been attributed to the presence of uncompensated antiferromagnetic surface spins and the exchange interactions at the nanoparticle surface due to surface oxidation.
}, keywords = {Antiferromagnetism, exchange bias, Ferromagnetism, Manganese nanoparticles, Uncompensated spins}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2022.169504}, author = {Tiwari, Garima and Vinod, C. Prabhakaran and Jagirdar, Balaji R.} } @article {48222, title = {Controlled modulation of the structure and luminescence properties of zero-dimensional manganese halide hybrids through structure-directing metal-ion (Cd2+ and Zn2+) centers}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {APR}, pages = {5363-5372}, type = {Article}, abstract = {
Zero-dimensional (0D) metal halide hybrids with high exciton binding energy are excellent materials for lighting applications. Controlling/modulating the structure of the con-stituent metal halide units allows tunability of their photo-luminescence properties. 0D manganese halide hybrids are currently attracting research efforts in lighting applications due to their eco-friendly and strong emission. However, structural transformation-induced tunability of their photophysical propertieshas rarely been reported. Herein, we demonstrate a rationalsynthetic strategy to modulate the structure and luminescenceproperties of 0D Mn(II) halide hybrids utilizing the structure-directing d10metal ions (Cd2+/Zn2+). 0D metal halide hybrids ofCd2+/Zn2+, which act as hosts with tunable structures, accept Mn2+ions as substitutional dopants. This structural flexibility of thehost d10metal ions is realized by optimizing the metal-to-ligand ratio (Cd/AEPip). This reaction parameter allows structuraltransformation from an octahedral (AEPipCdMnBrOh) to a tetrahedral (AEPipCdMnBrTd) 0D Mn halide hybrid with tunableluminescence (orange -\> green) with high photoluminescence quantum yield. Interestingly, when Zn2+is utilized, a tetrahedralAEPipZnMnBr structure forms exclusively with strong green emission. Optical and single-crystal X-ray diffraction structural analysisof the host and the doped system supports our experimental data and confirms the structure-directing role played by Cd2+/Zn2+centers. This work demonstrates a rational strategy to modulate the structure/luminescence properties of 0D Mn(II) halide hybrids, which can further be implemented for other 0D metal halide hybrids
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c00160}, author = {Das, Deep Kumar and Bakthavatsalam, Rangarajan and Anilkumar, Vishnu and Mali, Bhupendra P. and Ahmed, Md Soif and Raavi, Sai Santosh Kumar and Pallepogu, Raghavaiah and Kundu, Janardan} } @article {48372, title = {Conventional and microwave-assisted organic synthesis of novel antimycobacterial agents bearing furan and pyridine hybrids}, journal = {Drug Development Research}, volume = {83}, year = {2022}, month = {APR}, pages = {416-431}, type = {Article}, abstract = {
Drug resistance in tuberculosis poses a serious threat to humanity because currently available antitubercular drugs are ineffective against Mycobacterium tuberculosis (M. tuberculosis). As a result, the approval of Bedaquiline and Delamanid for the treatment of drug-resistant tuberculosis was accelerated. Still, there is an urgent need to search for new antitubercular drugs with novel mechanisms of action (MoA). Due to this, we have designed a synthetic strategy by utilizing microwave-assisted organic synthesis. We have compared our method with the conventional procedure, and the data show that our procedure is more effective in the preparation of title compounds. A unique series of 1-(2-(furan-2-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl)-3-(aryl)-pr op-2-en-1-ones (5a-o) was synthesized utilizing conventional and microwave-assisted techniques. Synthetic compounds were investigated for antitubercular activity against Mycobacterium TB H37Ra and Mycobacterium bovis (M. bovis). Compound 5b was reported to be the most effective against M. tuberculosis H37Ra (97.69 percent inhibition at 30 mu g/ml) and M. bovis (97.09 percent inhibition at 30 mu g/ml). An in silico binding affinity study of mycobacterial enoyl-acyl carrier protein reductase (InhA) reveals the binding mechanism and thermodynamic interactions that determine these molecule{\textquoteright}s binding affinity. Compound 5b had a high glide score of -8.991 and low glide energy of -49.893 kcal/mol.
}, keywords = {Antitubercular activity, microwave-assisted organic synthesis, Molecular docking}, issn = {0272-4391}, doi = {10.1002/ddr.21872}, author = {Desai, Nisheeth C. and Bhatt, Kandarp and Jadeja, Dharmpalsinh J. and Mehta, Harsh K. and Khedkar, Vijay M. and Sarkar, Dhiman} } @article {48067, title = {Coordination flexibility aided CO2-specific gating in an iron isonicotinate MOF}, journal = {Chemistry-an Asian Journal}, volume = {17}, year = {2022}, month = {FEB}, pages = {e202101305}, type = {Article}, abstract = {
Coordination flexibility assisted porosity has been introduced into an Iron-isonicotinate metal-organic framework (MOF), (Fe(4-PyC)(2) . (OH). The framework showed CO2-specific gate opening behavior, which gets tuned as a function of temperature and pressure. The MOF {\textquoteleft} s physisorptive porosity towards CO2, CH4, and N-2 was investigated; it adsorbed only CO2 via a gate opening phenomenon. The isonicotinate, representing a borderline soft base, is bound to the hard Fe3+ centre through monodentate carboxylate and pyridyl nitrogen. This moderately weak binding enables isonicotinate to spin like a spindle under the CO2 pressure opening the gate for a sharp increase in CO2 uptake at 333 mmHg (At 298 K, the CO2 uptake increases from 0.70 to 1.57 mmol/g). We investigated the MOF {\textquoteleft} s potential for CO2/N-2 and CO2/CH4 gas separation aided by this gating. IAST model reveals that the CO2/N-2 selectivity jumps from 325 to 3131 when the gate opens, while the CO2/CH4 selectivity increases three times. Interestingly, this Fe-isonicotinate MOF did not follow the trend set by our earlier reported Hard-Soft Gate Control (established for isostructural M2+-isonicotinate MOFs (M=Mg, Mn)). However, we account for this discrepancy using the different oxidation state of metals confirmed by X-ray photoelectron spectroscopy and magnetism.
}, keywords = {CO2 capture, flexible MOF, gating, Isonicotinic}, issn = {1861-4728}, doi = {10.1002/asia.202101305}, author = {Singh, Himan Dev and Nandi, Shyamapada and Chakraborty, Debanjan and Singh, Kirandeep and Vinod, Chathakudath P. and Vaidhyanathan, Ramanathan} } @article {48207, title = {Copper(II) import and reduction are dependent on His-Met clusters in the extracellular amino terminus of human copper transporter-1}, journal = {Journal of Biological Chemistry}, volume = {298}, year = {2022}, month = {MAR}, pages = {101631}, type = {Article}, abstract = {
Copper(I) is an essential metal for all life forms. Though Cu(II) is the most abundant and stable state, its reduction to Cu(I) via an unclear mechanism is prerequisite for its bioutilization. In eukaryotes, the copper transporter-1(CTR1) is the primary high-affinity copper importer, although its mechanism and role in Cu(II) reduction remain uncharacterized. Here we show that extracellular amino-terminus of human CTR1 contains two methionine-histidine clusters and neighboring aspartates that distinctly bind Cu(I) and Cu(II) preceding its import. We determined that hCTR1 localizes at the basolateral membrane of polarized MDCK-II cells and that its endocytosis to Common-Recycling-Endosomes is regulated by reduction of Cu(II) to Cu(I) and subsequent Cu(I) coordination by the methionine cluster. We demonstrate the transient binding of both Cu(II) and Cu(I) during the reduction process is facilitated by aspartates that also act as another crucial determinant of hCTR1 endocytosis. Mutating the first Methionine cluster ((7)Met-Gly-Met(9)) and Asp(13)( )abrogated copper uptake and endocytosis upon copper treatment. This phenotype could be reverted by treating the cells with reduced and nonreoxidizable Cu(I). We show that histidine clusters, on other hand, bind Cu(II) and are crucial for hCTR1 functioning at limiting copper. Finally, we show that two N-terminal His-Met-Asp clusters exhibit functional complementarity, as the second cluster is sufficient to preserve copper-induced CTR1 endocytosis upon complete deletion of the first cluster. We propose a novel and detailed mechanism by which the two His-Met-Asp residues of hCTR1 amino-terminus not only bind copper, but also maintain its reduced state, crucial for intracellular uptake.
}, doi = {10.1016/j.jbc.2022.101631}, author = {Kar, Sumanta and Sen, Samarpita and Maji, Saptarshi and Saraf, Deepashri and Ruturaj and Paul, Rupam and Dutt, Sohini and Mondal, Basudeb and Rodriguez-Boulan, Enrique and Schreiner, Ryan and Sengupta, Durba and Gupta, Arnab} } @article {48070, title = {Covalent organic framework with electrodeposited copper nanoparticles - a desirable catalyst for the Ullmann coupling reaction}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {JUL}, pages = {15647-15656}, type = {Article}, abstract = {
A covalent organic framework is a porous covalently-linked polymeric assembly built from molecular lego blocks, the monomers. A COF{\textquoteright}s high surface area, ordered pores, and intrinsic low density makes it a perfect heterogeneous catalyst component. Dispersing catalytic metal nanoparticles into the porous COF matrix in a {\textquoteleft}capping-agent-free{\textquoteright} manner can aid the maximal utilization of the active sites. To generate single-site catalysts, metals have been anchored to dense supports, or metal ions have been coordinated to the porous organic framework. The latter has superior atom efficiency and a substrate diffusion advantage. Stably nestling neutral metallic clusters into open-framework supports with no specifically strong binding groups requires a different approach. If infused from extremely dilute electrolytes, metal clusters can be nanoconfined into electrically activated COFs. At low-loadings, it can resemble a single-site catalyst with high atom efficiency. Herein, we report the larger scale synthesis of IISERP-COF15 and electrochemical loading of copper nanoparticles into its pores at loadings as low as 3.34 wt\%. We employed classical Ullmann reactions to adjudge its activity. Typical turnover numbers for the catalysts reported in the literature are approximately 50-100. A Cu@COF shows high activity with a very low catalyst loading of 0.25 mol\% (TON around similar to 300-350 vs. 4 for neat CuCl2 center dot 2H(2)O (homogeneous catalyst) and turnover frequency (similar to 15-17 h(-1))). We recycled it for up to 3 cycles. Furthermore, we report a multi-fold Ullmann reaction producing an unreported hexaaldehyde to demonstrate the latitude of the catalyst. Our work points to the potential of a dilutely loaded metal@COF as a mimic of the single-site catalyst for synthesizing valuable C-O linked molecules. Our findings from computational modeling shed light on the role of the COF as an active nanoporous support for Ullmann C-O coupling.
}, issn = {2050-7488}, doi = {10.1039/d2ta01326f}, author = {Chandran, Chandana and Singh, Himan Dev and Leo, Liya S. and Shekhar, Pragalbh and Rase, Deepak and Chakraborty, Debanjan and Vinod, Chathakudath P. and Vaidhyanathan, Ramanathan} } @article {47624, title = {COVID-19 associated mucormycosis: evolving technologies for early and rapid diagnosis}, journal = {3 Biotech}, volume = {12}, year = {2022}, month = {JAN}, pages = {6}, type = {Review}, abstract = {The post-coronavirus disease (COVID-19) mucormycosis is a deadly addition to the pandemic spectrum. Although it{\textquoteright}s a rare, aggressive, and opportunistic disease, the associated morbidity and mortality are significant. The complex interplay of factors aggravating CAM is uncontrolled diabetes, irrational and excessive use of antibiotics, steroids, and an impaired immune system. Recently, India has been witnessing a rapid surge in the cases of coronavirus disease-associated mucormycosis (CAM), since the second wave of COVID-19. The devastating and lethal implications of CAM had now become a matter of global attention. A delayed diagnosis is often associated with a poor prognosis. Therefore, the rapid and early diagnosis of infection would be life-saving. Prevention and effective management of mucormycosis depend upon its early and accurate diagnosis followed by a multimodal therapeutic approach. The current review summarizes an array of detection methods and highlights certain evolving technologies for early and rapid diagnosis of CAM. Furthermore, several potential management strategies have also been discussed, which would aid in tackling the neglected yet fatal crisis of mucormycosis associated with COVID-19.}, keywords = {Biosensors, COVID-19, Diagnostics, Mucormycosis, Probiotics}, issn = {2190-572X}, doi = {10.1007/s13205-021-03080-4}, author = {Samson, Rachel and Dharne, Mahesh} } @article {48121, title = {Crystalline xylitol production from corncob biomass with oral toxicity analysis}, journal = {Industrial Crops and Products}, volume = {187}, year = {2022}, month = {NOV }, pages = {115407}, type = {Article}, abstract = {
Xylitol, a five-carbon sugar alcohol, has a steady global market and finds application as a natural sugar substitute in various food and confectionery products. Biocatalytic xylitol production, although touted as a greener alternative to conventional chemical catalysis, suffers from certain challenges, the primary being high cost of production. This study demonstrates a process for food-grade xylitol production from corncob biomass with energy reduction through two major process modifications. A non-conventional fermentation strategy was adopted whereby adjusting aeration without agitation, xylitol with high yield (0.86 +/- 0.015 g/g), and productivity (0.74 gL(-1)h(-1)) could be produced by a GRAS Pichia caribbica MTCC 5703 strain. Xylitol was recovered from the broth in the form of crystals using a combination of membrane-based filtration and crystallization. The crystals demonstrated similar to 98 \% purity when quantified with H-1 NMR. Oral toxicity analysis of the crystals demonstrated no adverse effect in female Winstar rats (at a loading of 2000 mg/kg body weight of animals). Overall process statistics showed that 0.584 kg of food-grade xylitol crystals could be produced from 3.5 kg of corncob biomass. The two-process modifications during fermentation and xylitol recovery enabled an energy saving of similar to 20.842 kW/kg of crystals, providing tremendous advantages for biorefinery-based large-scale xylitol production from corncob biomass.
}, keywords = {Biomass, Fermentation, Oral toxicity analysis, Wastewater treatment, xylitol}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2022.115407}, author = {Ahuja, Vishal and Dasgupta, Diptarka and Kshirsagar, Siddheshwar and Ghosh, Prasenjit and More, Snehal and Gupta, Piyush and Behera, Babita and Bhaskar, Thallada} } @article {46642, title = {Cyclic peptide engineered from phytocystatin inhibitory hairpin loop as an effective modulator of falcipains and potent antimalarial}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {40}, year = {2022}, month = {MAY}, pages = {3642-3654}, type = {Article}, abstract = {
Cystatins are classical competitive inhibitors of C1 family cysteine proteases (papain family). Phytocystatin superfamily shares high sequence homology and typical tertiary structure with conserved glutamine-valine-glycine (Q-X-V-X-G) loop blocking the active site of C1 proteases. Here, we develop a cysteine-bounded cyclic peptide (CYS-cIHL) and linear peptide (CYS-IHL), using the conserved inhibitory hairpin loop amino acid sequence. Using an in silico approach based on modeling, protein-peptide docking, molecular dynamics simulations and calculation of free energy of binding, we designed and validated inhibitory peptides against falcipain-2 (FP-2) and -3 (FP-3), cysteine proteases from the malarial parasite Plasmodium falciparum. Falcipains are critical hemoglobinases of P. falciparum that are validated targets for the development of antimalarial therapies. CYS-cIHL was able to bind with micromolar affinity to FP-2 and modulate its binding with its substrate, hemoglobin in in vitro and in vivo assays. CYS-cIHL could effectively block parasite growth and displayed antimalarial activity in culture assays with no cytotoxicity towards human cells. These results indicated that cyclization can substantially increase the peptide affinity to the target. Furthermore, this can be applied as an effective strategy for engineering peptide inhibitory potency against proteases.
}, keywords = {Cyclic peptide, falcipain inhibitors, falciparum, P, Phytocystatin, protein interaction mimics, protein\&\#8211}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1848629}, author = {Mishra, Manasi and Singh, Vigyasa and Tellis, Meenakshi B. and Joshi, Rakesh S. and Pandey, Kailash C. and Singh, Shailja} } @article {48388, title = {[DBUH][OAc]-catalyzed domino synthesis of novel benzimidazole incorporated 3,5-Bis (Arylidene)-4-piperidones as potential antitubercular agents}, journal = {Polycyclic Aromatic Compounds}, volume = {42}, year = {2022}, month = {NOV}, pages = {7010-7024}, type = {Article}, abstract = {
A series of new benzimidazole incorporated 3,5-bis (arylidene)-4-piperidones were synthesized by using aryl aldehydes, piperidinone, 2-(chloromethyl)-benzimidazole and DBU acetate [DBUH][OAc] act as a catalyst under solvent free condition in excellent yields. The synthesized compounds were screened for their in vitro antimycobacterial activity against M. tuberculosis H37Ra (MTB) and M. bovis BCG strains. The compounds 4a, 4b, 4e, 4i, 4k and 4l are highly potent against both the strains. Most of the active compounds are non-cytotoxic against MCF-7, A549, HCT 116 and THP-1 cell lines. Furthermore, a molecular docking study of these compounds was carried out to investigate their binding pattern with the target, active site of mycobacterial enoyl-acyl carrier protein reductase (Inh A). Therefore, these compounds can be subjected for further optimization and drug development which could give promising chemical leads for treatment of TB.
}, keywords = {Antitubercular activity, curcumin, Cytotoxicity, Ionic liquid, multicomponent reactions}, issn = {1040-6638}, doi = {10.1080/10406638.2021.1995008}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Nagargoje, Amol A. and Sarkar, Dhiman and Khedkar, Vijay M. and Shingate, Bapurao B.} } @article {48105, title = {Decay processes in cationic alkali metals in microsolvated clusters: a complex absorbing potential based equation-of-motion coupled cluster investigation}, journal = {Journal of Chemical Theory and Computation}, volume = {18}, year = {2022}, month = {FEB }, pages = {807-816}, type = {Article}, abstract = {
We have employed the highly accurate complex absorbing potential based ionization potential equation-of-motion coupled cluster singles and doubles (CAP-IP-EOM-CCSD) method to study the various intermolecular decay processes in ionized metals (Li+, Na+, K+) microsolvated by water molecules. For the Li atom, the electron is ionized from the 1s subshell. However, for Na and K atoms, the electron is ionized from 2s and both 2s and 2p subshells, respectively. We have investigated decay processes for the Li+-(H2O)(n) (n = 1-3) systems, as well as Na+-(H2O)(n) (n = 1, 2), and K+-H2O. The lithium cation in water can decay only via electron transfer mediated decay (ETMD) as there are no valence electrons in lithium. We have investigated how the various decay processes change in the presence of different alkali metal atoms and how the increasing number of water molecules play a significant role in the decay of microsolvated systems. To see the effect of the environment, we have studied Li+-NH3 in comparison to Li+-H2O. In the case of Na+-H2O, we have studied the impact of bond distance on the decay width. The effect of polarization on decay width was checked for the X+-H2O (X = Li, Na) systems. We used the PCM model to study the polarization effect. We have compared our results with existing theoretical and experimental results wherever available in the literature.
}, issn = {1549-9618}, doi = {10.1021/acs.jctc.1c01036}, author = {Kumar, Ravi and Ghosh, Aryya and Vaval, Nayana} } @article {47768, title = {Deciphering the sensing of alpha-amyrin acetate with hs-DNA: a multipronged biological probe}, journal = {RSC Advances}, volume = {12}, year = {2022}, month = {JAN}, pages = {1238-1243}, type = {Article}, abstract = {In this study, we focus on the biomimetic development of small molecules and their biological sensing with DNA. The binding of herring sperm deoxyribonucleic acid (hs-DNA) with naturally occurring bioactive small molecule alpha-amyrin acetate (alpha-AA), a biomimetic - isolated from the leaves of Ficus (F.) arnottiana is investigated. Collective information from various imaging, spectroscopic and biophysical experiments provides evidence that alpha-AA is a minor groove sensor of hs-DNA and preferentially binds to the A-T-rich regions. Interactions of different concentrations of small molecule alpha-AA with hsDNA were evaluated via various analytical techniques such as UV-Vis, circular dichroism (CD) and fluorescence emission spectroscopy. Fluorescence emission spectroscopy results suggest that alpha-AA decreases the emission level of hsDNA. DNA minor groove sensor Hoechst 33258 and intercalative sensor EB, melting transition analysis (T-M) and viscosity analysis clarified that alpha-AA binds to hs-DNA via a groove site. Biophysical chemistry and molecular docking studies show that hydrophobic interactions play a major role in this binding. The present research deals with a natural product biosynthesis-linked chemical-biology interface sensor as a biological probe for alpha-AA: hs-DNA.}, doi = {10.1039/d1ra07195e}, author = {Pansare, V. Amol and Shedge, Amol A. and Sonawale, Maryappa C. and Pansare, V. Shubham and Mahakal, Akshay D. and Khairkar, Shyam R. and Chhatre, Shraddha Y. and Kulal, Dnyaneshwar K. and Patil, Vishwanath R.} } @article {47797, title = {Degradation of API pollutants using hydrodynamic cavitation and process intensification}, journal = {Chemical Engineering and Processing - Process Intensification}, volume = {172}, year = {2022}, month = {FEB}, pages = {108799}, type = {Article}, abstract = {Degradation of Naproxen, a common nonsteroidal anti-inflammatory drug as a model compound, has been reported using hydrodynamic cavitation (HC) and process intensification. Two types of cavitating devices, vortex diode that employs vortex flow and a conventional linear flow based device, orifice have been investigated for their effectiveness in degradation. Process intensification was carried out by employing simple aeration and also by addition of oxidising agent, hydrogen peroxide (H2O2). Vortex diode required significantly lower pressure drop (1.5~bar) compared to the orifice (5~bar). A high extent of degradation, 67\%, was possible using the process intensification; representing a very high enhancement, to an extent of more than 200\%, by combining HC+H2O2. The degradation of naproxen progresses via intermediates formation and intermediates also eventually get gradually degraded. The kinetics of degradation was evaluated using per pass degradation model and for the different approaches, confirming higher per-pass degradation in the vortex diode and for the process intensification. The cavitational yield in HC+H2O2+aeration using vortex diode (23.4~{\texttimes}~10-5~mg/J) was \~{} 5 times greater than that for orifice (4.5~{\texttimes}~10-5~mg/J). The present study clearly highlights utility of process intensification approach for the degradation of active pharmaceutical ingredients (API) pollutants for increased efficacy.}, keywords = {Naproxen: Oxidation, Pharmaceutical, pollution, Wastewater treatment}, issn = {0255-2701}, doi = {10.1016/j.cep.2022.108799}, author = {Divya Dixit and Pooja Thanekar and Vinay M. Bhandari} } @article {48146, title = {Design and synthesis of eugenol/isoeugenol glycoconjugates and other analogues as antifungal agents against Aspergillus fumigatus}, journal = {RSC Medicinal Chemistry}, volume = {13}, year = {2022}, month = {AUG}, pages = {955-962}, type = {Article}, abstract = {
Glycoconjugates are biologically significant molecules as they tend to serve a wide range of intra- and extra-cellular processes depending on their size and complexity. The secondary metabolites of the plant Myristica fragrans, eugenol and isoeugenol, have shown antifungal activities (IC50 1900 mu M). Therefore, we envisioned that glycoconjugates based on these two scaffolds could prove to be potent antifungal agents. Triazole-containing compounds have shown prominent activities as antifungal agents. Based on this, we opined that a Cu(i) catalyzed click reaction could serve as the bridging tool between a eugenol/isoeugenol moiety and sugars to synthesize eugenol/isoeugenol based glycoconjugates. In our present work, we have coupled propargylated eugenol/isoeugenol and azido sugar to furnish eugenol/isoeugenol based glycoconjugates. In another approach, we have carried out hydroxylation of the double bond of eugenol and subsequent azidation of a primary alcohol followed by intramolecular coupling reactions leading to various other analogues. All the synthesized compounds were assayed against an opportunistic pathogenic fungus, Aspergillus fumigatus. Among the synthesized compounds, two analogues have exhibited significant antifungal activities with IC50 values of 5.42 and 9.39 mu M, respectively. The study suggested that these two analogues inhibit cell wall-associated melanin hydrophobicity along with the number of conidia. The synthesized compounds were found to be non-cytotoxic to an untransformed cell line.
}, doi = {10.1039/d2md00138a}, author = {Goswami, Lakshmi and Gupta, Lovely and Paul, Sayantan and Vermani, Maansi and Vijayaraghavan, Pooja and Bhattacharya, Asish K.} } @article {48007, title = {Design of hydrodynamic cavitation assisted intensified tertiary treatment unit for effective degradation of organic micropollutants in pharmaceutical industrial effluent: a case study with triclosan}, journal = {Journal of Water Process Engineering}, volume = {49}, year = {2022}, month = {OCT}, pages = {103132}, type = {Article}, abstract = {
Increasing occurrence of micropollutants and trace amount of persistent organic contaminants (POC{\textquoteright}s) in the wastewater streams even after the well-established conventional treatment is a threat to human health, aquatic entities, and constitute a formidable challenge for the ecological security. In this regard, hydrodynamic cavi-tation based advanced oxidation treatment has attracted extensive attention towards removal of such micro scale pollutants from wastewater streams in the present scenario. Hence, the present work demonstrates the design and application of a rotating hydrodynamic cavitation (RHC) reactor with stator-rotor arrangement for effective degradation of organic micropollutants (triclosan being taken as the target pollutant) from tertiary effluents occurring in the pharmaceutical sector. The process performance was evaluated through optimization of geo-metric parameters of the reactor, various operating parameters as well as by studying the sole and synergistic performance of the HC process combined with other AOPs. The maximum degradation of Triclosan (TCS) ach-ieved by RHC alone was found to be 35.2 \% and in synergism, with ozone, a maximum of 97.6 \% degradation was observed. Further, to ensure the mineralization of the components, total organic carbon (TOC) contents of the samples were measured and the degradation pathway was predicted through LC-MS analysis. The techno-economic feasibility of the process were understood through economic and energetic analysis and technology transfer was done for replicating the same study for a pilot scale reactor.
}, keywords = {Advanced oxidation process, Hydrodynamic cavitation, Micropollutant, Pharmaceutical effluent, Tertiary treatment}, issn = {2214-7144}, doi = {10.1016/j.jwpe.2022.103132}, author = {Mishra, Birupakshya and Mukherjee, Anupam and Mullick, Aditi and Bhandari, Vinay M. and Moulik, Siddhartha} } @article {48224, title = {Design, synthesis of anticancer and anti-inflammatory 4-(1-methyl-1H-indol-3-yl)-6-(methylthio) pyrimidine-5-carbonitriles}, journal = {Synthetic Communications}, volume = {52}, year = {2022}, month = {MAR }, pages = {733-744}, type = {Article}, abstract = {
A novel series of 4-(1-methyl-1H-indol-3-yl)-6-(methylthio) pyrimidine-5-carbonitriles (4a-i) was synthesized and evaluated for anticancer potential against cell lines for breast cancer. Compounds 4b, 4e, and 4h exhibited prominent cytotoxicity against human breast carcinoma MCF-7 cell line with GI(50 )of 2.0, 0.5, and 0.5 mu M, respectively. Molecular docking study against EGFR tyrosine kinase could provide valuable insights into the plausible mechanism of action. The compounds could bind with significantly high binding affinity and their binding affinity scores could correlate well with the observed anticancer activity. Furthermore, compounds 4a, 4c, 4e, 4g, and 4i exhibited significant inflammatory activities as well which could expand the therapeutic domain of this novel series.
}, keywords = {Anti-inflammatory, Anticancer, Antioxidant, Indole, pyrimidine}, issn = {0039-7911}, doi = {10.1080/00397911.2022.2048860}, author = {Bhale, Pravin S. and Chavan, V. Hemant and Shringare, Sadanand N. and Khedkar, Vijay M. and Tigote, Radhakrishna M. and Mali, Nikita N. and Jadhav, Tukaram D. and Kamble, Nitin B. and Kolat, Swati P. and Bandgar, Babasaheb P. and Patil, Harshal S.} } @article {48349, title = {Detection of a target protein (GroEl2) in Mycobacterium tuberculosis using a derivative of 1,2,4-triazolethiols}, journal = {Molecular Diversity}, volume = {26}, year = {2022}, month = {OCT}, pages = {2535-2548}, type = {Article}, abstract = {
Herein, we identified a potent lead compound RRA2, within a series of 54 derivatives of 1,2,4-triazolethiols (exhibit good potency as an anti-mycobacterial agents) against intracellular Mycobacterium tuberculosis (Mtb). Compound RRA2 showed significant mycobactericidal activity against active stage Mycobacterium bovis BCG and Mtb with minimum inhibitory concentration (MIC) values of 2.3 and 2.0 mu g/mL, respectively. At MIC value, RRA2 compound yielded 0.82 log reduction of colony-forming unit (cfu) against non-replicating Mtb. Furthermore, RRA2 compound was selected for further target identification due to the presence of alkyne group, showing higher selectivity index (\> 66.66 +/- 0.22, in non-replicating stage). Using {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry, we synthesized the biotin linker-RRA2 conjugate, purified with HPLC method and confirmed the conjugation of biotin linker-RRA2 complex by HR-MS analysis. Furthermore, we successfully pulled down and identified a specific target protein GroEl2, from Mtb whole-cell extract. Furthermore, computational molecular modeling indicated RRA2 could interact with GroEl2, which explains the structure-activity relationship observed in this study.
}, keywords = {1, 2, 4-triazolethiols, GroEl2, Mycobactericidal activity, Mycobacterium bovis BCG, Mycobacterium tuberculosis}, issn = {1381-1991}, doi = {10.1007/s11030-021-10351-y}, author = {Sarkar, Sampa and Swami, Sagar and Soni, Sarvesh Kumar and Holien, Jessica K. and Khan, Arshad and Korwar, Arvind M. and Likhite, Anjali P. and Joshi, Ramesh A. and Joshi, Rohini R. and Sarkar, Dhiman} } @article {48369, title = {Developing spherical activated carbons from polymeric resins for removal of contaminants from aqueous and organic streams}, journal = {International Journal of Environmental Science and Technology}, volume = {19}, year = {2022}, month = {OCT}, pages = {10021-10040}, type = {Article}, abstract = {
Spherical activated carbons from polymer resin were developed with metal modifications, before/after carbonization using copper and nickel, for gradation of zeta potential (-5.01 to 8.64 mV) and high metal loading (up to 12.3\%). The materials provide improved removal of various contaminants from aqueous and organic streams-removal of bacteria from water and sulfur removal from fuel. The metal-modified spherical activated carbons were highly effective for removal of both gram-negative E. coli and gram-positive S. aureus bacteria. The copper-modified spherical activated carbon could eliminate 99.9-100\%, both bacterial content proving efficacy in water disinfection with a very high rate similar to 1.33 x 10(5) (CFU/ml.s). The zeta potential has significant impact with higher disinfection for high values; similar to 10-15\% disinfection can be improved up to 100\% for zeta potential changes from -5 to 8.6 mV. Kinetics of disinfection was studied by accounting for zeta potential in the conventional rate model, and the efficacy of both the models was compared. The fit of revised model was excellent. The spherical activated carbons can be useful for removal of slightly polar contaminants from organic streams and a high capacity of 12.8, 20 and 28 mgS/g for thiophene, benzothiophene and dibenzothiophene, respectively. The developed materials can provide useful applications in the area of environmental pollution control. [GRAPHICS] .
}, keywords = {Adsorption, Material, pollution, Sulfur removal, Water disinfection}, issn = {1735-1472}, doi = {10.1007/s13762-021-03684-6}, author = {Mane, M. B. and Bhandari, V. M.} } @article {47798, title = {Dietary influence on modulation of Helicoverpa armigera oral secretion composition leading to differential regulation of tomato plant defense}, journal = {Plant Science}, volume = {314}, year = {2022}, month = {JAN}, pages = {111120}, type = {Article}, abstract = {Little is known about how different plant-based diets influence the insect herbivores{\textquoteright} oral secretion (OS) composition and eventually the plant defense responses. We analyzed the OS composition of the generalist Lepidopteran insect, Helicoverpa armigera feeding on the host plant tomato (OSH), non-host plant capsicum (OSNH), and artificial diet (OSAD) using Liquid Chromatography-Quadrupole Time of Flight Mass Spectrometry. Higher numbers and levels of alkaloids and terpenoids were observed in OSH and OSNH, respectively while OSAD was rich in phospholipids. Interestingly, treatment of H. armigera OSAD, OSH and OSNH on wounded tomato leaves showed differential expression of (i) genes involved in JA and SA biosynthesis and their responsive genes, and (ii) biosynthetic pathway genes of chlorogenic acid (CGA) and trehalose, which exhibited increased accumulation along with several other plant defensive metabolites. Specifically, high levels of CGA were detected after OSH and OSNH treatments in tomato leaves. There was higher expression of the genes involved in phenylpropanoid biosynthesis, which may lead to the increased accumulation of CGA and related metabolites. In the insect bioassay, CGA significantly inhibited H. armigera larval growth. Our results underline the differential accumulation of plant and insect OS metabolites and identified potential plant metabolite(s) affecting insect growth and development.}, keywords = {Chlorogenic acid, defense, Metabolites, Non-host, Oral secretion, trehalose}, issn = {0168-9452}, doi = {https://doi.org/10.1016/j.plantsci.2021.111120}, url = {https://www.sciencedirect.com/science/article/pii/S0168945221003162}, author = {Gopal S. Kallure and Balkrishna A. Shinde and Vitthal T. Barvkar and Archana Kumari and Ashok P. Giri} } @article {48197, title = {Dietary influence on modulation of Helicoverpa armigera oral secretion composition leading to differential regulation of tomato plant defense.}, journal = {Plant Science}, volume = {314}, year = {2022}, month = {JAN}, pages = {111120}, type = {Article}, abstract = {
Little is known about how different plant-based diets influence the insect herbivores{\textquoteright} oral secretion (OS) composition and eventually the plant defense responses. We analyzed the OS composition of the generalist Lepidopteran insect, Helicoverpa armigera feeding on the host plant tomato (OSH), non-host plant capsicum (OSNH), and artificial diet (OSAD) using Liquid Chromatography-Quadrupole Time of Flight Mass Spectrometry. Higher numbers and levels of alkaloids and terpenoids were observed in OSH and OSNH, respectively while OSAD was rich in phospholipids. Interestingly, treatment of H. armigera OSAD, OSH and OSNH on wounded tomato leaves showed differential expression of (i) genes involved in JA and SA biosynthesis and their responsive genes, and (ii) biosynthetic pathway genes of chlorogenic acid (CGA) and trehalose, which exhibited increased accumulation along with several other plant defensive metabolites. Specifically, high levels of CGA were detected after OSH and OSNH treatments in tomato leaves. There was higher expression of the genes involved in phenyl-propanoid biosynthesis, which may lead to the increased accumulation of CGA and related metabolites. In the insect bioassay, CGA significantly inhibited H. armigera larval growth. Our results underline the differential accumulation of plant and insect OS metabolites and identified potential plant metabolite(s) affecting insect growth and development.
}, keywords = {Chlorogenic acid, defense, Metabolites, Non-host, Oral secretion, trehalose}, issn = {0168-9452}, doi = {10.1016/j.plantsci.2021.111120}, author = {Kallure, Gopal S. and Shinde, Balkrishna A. and Barvkar, Vitthal T. and Kumari, Archana and Giri, Ashok P.} } @article {47898, title = {Diethyl phosphite-mediated switchable synthesis of bis(imidazoheterocycles) derived disulfanes and sulfanes using imidazoheterocycles and octasulfur}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {MAR }, pages = {4784-4791}, type = {Article}, abstract = {
A practical and highly efficient oxidative dual C-H sulfenylation of imidazoheterocycles using odorless, inexpensive elemental sulfur in DMSO to synthesize sulfur-bridged imidazoheterocycles under metal-free conditions is reported. The amount of diethyl phosphite and sulfur powder most attractively permits a tunable synthesis of bis(imidazoheterocycle)disulfanes and bis(imidazoheterocycle)sulfanes in good to high yields. A comprehensive substrate scope with a broad range of functional group tolerance was realized, and the efficacy of the process was proved at gram-scale reactions. Next, the bis(imidazopyridine)disulfanes were smoothly reacted with various indoles under similar conditions to form the corresponding imidazo[1,2-a]pyridine-indole-derived thioethers in high yields. A plausible mechanism has been proposed based on the control experiments.
}, issn = {1144-0546}, doi = {10.1039/d1nj05226h}, author = {Reddy, Raju Jannapu and Shankar, Angothu and Kumar, Jangam Jagadesh and Sharadha, Nunavath and Krishna, Gamidi Rama} } @article {47764, title = {Different mechanical responses of dimorphic forms of anthracene schiffbase crystal}, journal = {Journal of Molecular Structure}, volume = {1252}, year = {2022}, month = {MAR}, pages = {132182}, type = {Article}, abstract = {We obtained concomitant dimorphic forms of Anthracene Schiffbase (N-(anthracen-9-yl methylene)-2,5dichloroaniline) from hexane solvent. Two polymorphs can be differentiated by their morphology and mechanical properties. One form is long acicular type and elastically bendable while another form is block shaped and brittle in nature. Mechanical property is attributed to underlying crystal packing. Hirshfeld analysis and energy framework calculations were done to corroborate structure-property correlation of two forms (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Anthracene schiffbase, Dimorphs, Elasticity, mechanical properties}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2021.132182}, author = {Lakshmipathi, Madhumathi and Tothadi, Srinu and Emmerling, Franziska and Bhattacharya, Biswajit and Ghosh, Soumyajit} } @article {47799, title = {Dimerization of SARS-CoV-2 nucleocapsid protein affects sensitivity of ELISA based diagnostics of COVID-19}, journal = {International Journal of Biological Macromolecules}, volume = {200}, year = {2022}, month = {MAR}, pages = {428-437}, type = {Article}, abstract = {
Nucleocapsid protein (N protein) is the primary antigen of the virus for development of sensitive diagnostic assays of COVID-19. In this paper, we demonstrate the significant impact of dimerization of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) N-protein on sensitivity of enzyme-linked immunosorbent assay (ELISA) based diagnostics. The expressed purified protein from E. coli is composed of dimeric and monomeric forms, which have been further characterized using biophysical and immunological techniques. Indirect ELISA indicated elevated susceptibility of the dimeric form of the nucleocapsid protein for identification of protein-specific monoclonal antibody as compared to the monomeric form. This finding also confirmed with the modelled structure of monomeric and dimeric nucleocapsid protein via HHPred software and its solvent accessible surface area, which indicates higher stability and antigenicity of the dimeric type as compared to the monomeric form. The sensitivity and specificity of the ELISA at 95\% CI are 99.0\% (94.5-99.9) and 95.0\% (83.0-99.4), respectively, for the highest purified dimeric form of the N protein. As a result, using the highest purified dimeric form will improve the sensitivity of the current nucleocapsid-dependent ELISA for COVID-19 diagnosis, and manufacturers should monitor and maintain the monomer-dimer composition for accurate and robust diagnostics.
}, doi = {10.1016/j.ijbiomac.2022.01.094}, author = {Khan, Wajihul and Khan, Nida and Mishra, Avinash and Gupta, Surbhi and Bansode, Vikrant and Mehta, Deepa and Bhambure, Rahul and Rathore, Anurag} } @article {48069, title = {Direct (hetero)arylation (DHAP) polymerization of conjugated polymers - new A-B-A monomer design for P(NDI2OD-T2) \& the challenges of adopting DHAP for continuous flow processes}, journal = {Journal of Materials Chemistry C}, volume = {10}, year = {2022}, month = {SEP}, pages = {13025-13039}, type = {Article}, abstract = {
P(NDI2OD-T2), also known as Polyera ActivInk N2200, was synthesized by the atom-economic direct hetero arylation polymerization (DHAP) route using a newly designed A-B-A monomer. The new monomer design involved flanking naphthalene diimide with bithiophene units in the bay position, which was further polymerized with bay substituted 1,4-dibromo naphthalene diimide, to afford the same polymer structure as P(NDI2OD-T2). The new monomer design resulted in a very high molecular weight (M-n: 99.5 kDa, D-M: 2.8) defect-free polymer in a quantitative yield by the DHAP batch process using 1,2,4-trichlorobenzene (TCB) as the solvent. DFT studies revealed that the abstraction of the alpha-proton from the naphthalene diimide substituted 2,2 {\textquoteleft}-bithiophene was favorable by 2.6 kcal mol(-1) (Delta Delta G) as compared to that from 2,2 {\textquoteleft}-bithiophene. The reason for this improved C-H activation at the alpha position can be attributed to the presence of C-HMIDLINE HORIZONTAL ELLIPSIS pi stabilizing interactions in naphthalene diimide substituted 2,2 {\textquoteleft}-bithiophene, which strengthens upon the extended charge delocalization throughout the ring, thus stabilizing the conjugate base generated after the proton abstraction. Continuous flow polymerization was carried out by pumping the DHAP reaction mixture including the monomers, catalyst, and additive (pivalic acid) solubilized in degassed TCB through a pre-heated glass condenser packed with K2CO3 and Celite under aerobic conditions. Reproducible molecular weights of M-n: 29.5 kDa, D-M: 1.7 were obtained at much lower concentrations of reactant mixture compared to that for batch polymerization. This is the first report of the synthesis of P(NDI2OD-T2) by a Continuous Flow Process adopting the DHAP route to obtain a defect-free polymer with reasonable molecular weights. P(NDI2OD-T2) was also synthesized by Stille polymerization as a reference control sample to compare the thermal and charge carrier transport properties of the DHAP polymers. Organic field-effect (OFET) mobility measurements indicated mobility values in the order of 10(-3) cm(2) V-1 s(-1) for the DHAP batch polymer (using the novel monomer design). The P(NDI2OD-T2) synthesized by DHAP batch using the commonly used starting materials - bisbromo naphthalene diimide and bithiophene, exhibited OFET mobilities which were one order less, similar to 10(-4) cm(2) V-1 s(-1). This observation highlights the importance of structural design in the monomer to enhance reactivity and thereby the bulk properties using the DHAP route.
}, issn = {2050-7526}, doi = {10.1039/d2tc02514k}, author = {Kakde, Navnath R. and Bharathkumar, H. J. and Wavhal, Bhaiyyasaheb A. and Nikam, Arun and Patil, Suneha and Dash, Soumya Ranjan and Vanka, Kumar and Krishnamoorthy, K. and Kulkarni, Amol and Asha, S. K.} } @article {48096, title = {Direct oxidation of bromo-derived Fischer-Borsche oxo-ring using molecular iodine with combined experimental and computational study}, journal = {Organic \& Biomolecular Chemistry}, volume = {20}, year = {2022}, month = {JUL}, pages = {5726-5729}, type = {Article}, abstract = {
A direct oxidation of the bromo-derived Fischer-Borsche oxo-ring leading to carbazolequinone has been developed by using molecular iodine. This unprecedented transformation has been used for the modular synthesis of the anti-cardiotonic agent murrayaquinone. Furthermore, the present method has been generalized to a broad range of functional groups, with good to excellent yield.
}, issn = {1477-0520}, doi = {10.1039/d2ob00793b}, author = {Humne, Vivek T. and Ghom, Monica H. and Naykode, Mahavir S. and Dangat, Yuvraj and Vanka, Kumar and Lokhande, Pradeep} } @article {48027, title = {Divergent annulation of spiro[indoline-pyran] and fused (Epoxyetheno)indeno-furan from 1,2-diketone and 1-cyanoketone}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {AUG}, pages = {e202101534}, type = {Article}, abstract = {
A simple and efficient method for the construction of spiro[indoline-pyran] and fused (epoxyetheno)indeno[1,2-b]furan compounds from 1-cyanoketones and 1,2-diketone has been developed. The synthesis proceeded via the Knoevenagel and Michael adduct through intramolecular/Paal-Knorr cyclization under similar reaction condition. The less commonly used 1-cyanoketones and active carbonyl compounds served as the indole containing pyran and bicyclic furan source for the preparation of a new series of heterocyclic compounds. This heterocyclic structure allows one and more than one tetra-substituted carbon center and sequential hexa- and penta-cyclic core under very mild conditions and shows excellent chemo and regioselectivity. In addition, the synthesis of spiro[indoline-pyran] and (epoxyetheno)indeno[1,2-b]furan was demonstrated in a gram scale.
}, keywords = {Diverse synthesis, Intramolecular, Knoevenagel and Michael adduct, molecular diversity, Oxygen heterocycles, Paal-Knorr cyclization}, issn = {1434-193X}, doi = {10.1002/ejoc.202101534}, author = {Yadav, Maruti B. and Vagh, Sandip S. and Jeong, Yeon Tae} } @article {48194, title = {Diversity assessment of Gloriosa superba accessions from Western Ghats of India based on morphological traits, ISSR markers and metabolite content}, journal = {Journal of Applied Research on Medicinal and Aromatic Plants}, volume = {30}, year = {2022}, month = {SEP}, pages = {100388}, type = {Article}, abstract = {
Gloriosa superba L. (glory lily) is a medicinally and horticulturally important plant used as a commercial source of the alkaloid colchicine. The Western Ghats in India is mostly unexplored for the morphological, genetic, and metabolite diversity of the species. In the current study, three methodologies were employed to assess the diversity among 50 established accessions of G. superba collected from several locations in the Western Ghats. The morphological analysis revealed that, among the studied traits, seed yield per vine and dry seed weight per 100 seeds for the established accessions were the most diverse traits. The former exhibited a significantly positive correlation with four vegetative and five yield traits. The first three principal components showed nine traits contributing to the variation. Intra-specific molecular variation based on inter simple sequence repeat markers distributed the accessions in three clusters with high polymorphism and low genetic diversity indices. Liquid chromatography high-resolution mass spectrometry analysis revealed significant variation among the screened accessions for colchicine content in tuber and seed tissue. Interestingly, an unexplored tissue, pod shell, was found to contain significantly high colchicine, which could be explored for commercial colchicine extraction. The morphogenetic and metabolite variation revealed by the study would be useful to develop elite varieties to expand the cultivation of glory lily across the country, fulfilling the increasing demand for colchicine and providing remunerative income to the farmers.
}, keywords = {Colchicine, Genetic diversity, Gloriosa superba, Metabolite diversity, Morphological diversity, Western Ghats}, doi = {10.1016/j.jarmap.2022.100388}, author = {Mahajan, Yogesh A. and Shinde, Balkrishna A. and Mulani, Fayaj A. and Gade, Akshay B. and Kasodekar, Amol K. and Thulasiram, H. V. and Kadoo, Narendra Y. and Nikam, Tukaram D.} } @article {48180, title = {DNA binding, antitubercular, antibacterial and anticancer studies of newly designed piano-stool ruthenium(ii) complexes}, journal = {Dalton Transactions}, volume = {51}, year = {2022}, month = {NOV }, pages = {16371-16382}, type = {Article}, abstract = {
The chemotherapeutic potential of ruthenium(ii) complexes has recently attracted researchers{\textquoteright} interest as antibacterial and anticancer agents. In this study, two novel half-sandwich imine-based Ru complexes ([Ru(p-cymene)Cl(L-1)][PF6] (Ru-1) and [Ru(p-cymene)Cl(L-2)][PF6] (Ru-2)) were reported for their deoxyribonucleic acid (DNA) binding and antitubercular, antibacterial, and anticancer activities. The molecular structure of Ru-2 was obtained by single-crystal X-ray crystallography. DNA interaction studies were conducted by UV-Vis absorbance and fluorescence spectral titration which gave rise to DNA binding constants (K-b) of 1.32 x 10(6) and 1.82 x 10(6) for Ru-1 and Ru-2, respectively and the Stern-Volmer binding constant (K-SV) values for Ru-1 and Ru-2 were 1.7763 x 10(4) M-1 and 7.6 x 10(3) M-1, respectively. The in vitro antitubercular activity was evaluated against Mycobacterium tuberculosis H37Ra. The antibacterial potential of both the Ru-complexes was examined against Gram-negative (Escherichia coli and Pseudomonas aeruginosa) and Gram-positive (Staphylococcus aureus and Bacillus subtilis) bacteria. The half-maximal inhibitory concentration (IC50) values for the antitubercular activity of Ru-1 and Ru-2 were 4.87 +/- 1.32 mu M and 5.78 +/- 0.54 mu M, respectively. A cytotoxic study of these complexes was performed against the human breast cancer cell line (MCF-7) and the human embryonic kidney cell line (HEK293) (normal cells). The study revealed meaningful activity of the Ru-1 complex against (cancer) MCF-7 cells, while the viability of HEK293 (normal) cells in the presence of Ru-2 was higher as compared to a reference drug 5FU. We suggest that these kinds of Ru-complexes could have potential for application in metallopharmaceuticals.
}, issn = {1477-9226}, doi = {10.1039/d2dt02577a}, author = {Navale, Govinda and Singh, Sain and Agrawal, Sonia and Ghosh, Chandrachur and Choudhury, Angshuman Roy and Roy, Partha and Sarkar, Dhiman and Ghosh, Kaushik} } @article {48041, title = {Does viscosity drive the dynamics in an alcohol-based deep eutectic solvent?}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {OCT }, pages = {8331-8337}, type = {Article}, abstract = {
Deep eutectic solvents, consisting of heterogeneous nano-domains of hydrogen-bonded networks, have evolved into a range of viscous fluids that find applications in several fields. As viscosity is known to influence the dynamics of other neoteric solvents like ionic liquids, understanding the effect of viscosity on deep eutectic solvents is crucial to realize their full potential. Herein, we combine polarization-selective pump-probe spectroscopy, two-dimensional infrared spectroscopy, and molecular dynamics simulations to elucidate the impact of viscosity on the dynamics of an alcohol-based deep eutectic solvent, ethaline. We compare the solvent fluctuation and solute reorientation time scales in ethaline with those in ethylene glycol, an ethaline constituent. Interestingly, we find that the solute{\textquoteright}s reorientation apparently scales the bulk viscosity of the solvent, but the same is not valid for the overall solvation dynamics. Using the variations in the estimated intercomponent hydrogen bond lifetimes, we show that a dissolved solute does not sense the bulk viscosity of the deep eutectic solvent; instead, it senses domain-specific local viscosity determined by the making and breaking of the hydrogen bond network. Our results indicate that understanding the domain-specific local environment experienced by the dissolved solute is of utmost importance in deep eutectic solvents.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.2c06521}, author = {Chatterjee, Srijan and Deshmukh, Samadhan H. and Bagchi, Sayan} } @article {47761, title = {Donor-acceptor based solvent-free organic liquid hybrids with exciplex emission and room temperature phosphorescence}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {FEB }, pages = {1998-2001}, type = {Article}, abstract = {Solvent-free organic liquids are well-known for their excellent luminescence features. Hence, the recent developments in this area have marked them as potential emitters with high quantum yield and enhanced processability. The support of an available liquid matrix enables doping to deliver hybrid liquids with intriguing luminescence features. In this direction, we report solvent-free liquid donor-acceptor pairs with exciplex emission and room temperature phosphorescence at very low acceptor loading. The underlying weak intermolecular interactions have been revealed by 2D NMR techniques and theoretical calculations. The formation of large-area thin films by exciplex and phosphorescent liquid hybrids will encourage the development of scalable lighting and display materials.}, issn = {1359-7345}, doi = {10.1039/d1cc07082g}, author = {Wakchaure, Vivek Chandrakant and Veer, Sairam D. and Nidhankar, Aakash D. and Goudappagouda and Nayak, Rashmi and Asokan, Kiran and Ravindranathan, Sapna and Babu, Sukumaran Santhosh} } @article {48193, title = {Doped 2D VX2 (X = S, Se, Te) monolayers as electrocatalysts for ammonia production: a DFT based study}, journal = {Applied Surface Science}, volume = {602}, year = {2022}, month = {NOV}, pages = {154401}, type = {Article}, abstract = {
Electrocatalytic nitrogen fixation under ambient conditions on vanadium dichalcogenides (VX2) with non-metal dopants has been explored herein. Understanding the interface chemistry, inherent electronic and acute synergistic nature of non-metal dopants on two unique phases of VX2 has been meticulously explored through a scrutiny of several non-metal atoms as catalytic centers. The efficacity of N-2 chemisorption and N-N bond activation has been implemented as crucial parameters to realize boron and carbon doped VX2 monolayers to be electrocatalytically active for nitrogen reduction reaction (NRR). Detailed investigation on the NRR mechanism brings out the pivotal role of thermodynamic favourability for product formation obtained from Gibbs free energy differences. The charge transfer on N and pi-pi* orbital hybridization and electron {\textquoteleft}{\textquoteleft}donor-acceptor {\textquoteleft}{\textquoteleft} mechanism between the non-metal and N-2 has been found to modulate the electrocatalytic barrier for NRR on VX2 monolayers. This study proposes boron doped VS2 as an efficient chemically feasible, earth abundant sustainable electrocatalyst for NRR with an overpotential as low as 0.06 eV.
}, keywords = {1T and 2H phases, DFT, electrocatalysts, Nitrogen Reduction Reaction, Non metal dopants, Vanadium dichalcogenides}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2022.154401}, author = {Maibam, Ashakiran and BabaRao, Ravichandar and Krishnamurty, Sailaj A.} } @article {48016, title = {Dry molten globule-like intermediates in protein folding, function, and disease}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {NOV}, pages = {8614-8622}, type = {Review}, abstract = {
The performance of a protein depends on its correct folding to the final functional native form. Hence, understanding the process of protein folding has remained an important field of research for the scientific community for the past five decades. Two important intermediate states, namely, wet molten globule (WMG) and dry molten globule (DMG), have emerged as critical milestones during protein folding-unfolding reactions. While much has been discussed about WMGs as a common unfolding intermediate, the evidence for DMGs has remained elusive owing to their near-native features, which makes them difficult to probe using global structural probes. This Review puts together the available literature and new evidence on DMGs to give a broader perspective on the universality of DMGs and discuss their significance in protein folding, function, and disease.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.2c04991}, author = {Acharya, Nirbhik and Jha, Santosh Kumar} } @article {48417, title = {Dual nanomechanics in anisotropic porous covalent organic framework janus-type thin films}, journal = {Journal of the American Chemical Society}, volume = {144}, year = {2022}, month = {JAN}, pages = {400-409}, type = {Article}, abstract = {
Empowered by crystalline ordered structures and homogeneous fabrication techniques, covalent organic frameworks (COFs) have been realized with uniform morphologies and isotropic properties. However, such homogeneity often hinders various surface-dependent properties observed in asymmetric nanostructures. The challenge remains to induce heterogeneity in COFs by creating an asymmetric superstructure such as a Janus thin film. In this regard, we propose a versatile yet straightforward interfacial layer-grafting strategy to fabricate free-standing Janus-type COF-graphene thin films. Herein, two-dimensional graphene sheets were utilized as the suitable grafter due to the possibility of noncovalent interactions between the layers. The versatility of the approach was demonstrated by fabricating two distinct Janus-type films, with the COF surface interwoven with nanofibers and nanospheres. The Janus-type films showcase opposing surface morphologies originating from graphene sheets and COF nanofibers or nanospheres, preserving the porosity (552-600 m(2) g(-1)). The unique surface chemistries of the constituent layers further endow the films with orthogonal mechanical properties, as confirmed by the nanoindentation technique. Interestingly, the graphene sheets favor the Janus-type assembly of COF nanofibers over the nanospheres. This is reflected in the better nanomechanical properties of COFfiber-graphene films (E-gra(phene) = 300-1200 MPa; E-COF( )= 15-60 MPa) compared to the COFsphere-graphene films (E-gra(phe)ne = 11-14 MPa; E-CO(F )= 2-5 MPa). These results indicate a direct relationship between the mechanical properties and homo/heterogeneity of Janus-type COF films.
}, issn = {0002-7863}, doi = {10.1021/jacs.1c10263}, author = {Mohata, Shibani and Dey, Kaushik and Bhunia, Surojit and Thomas, Neethu and Gowd, E. Bhoje and Ajithkumar, Thalasseril G. and Reddy, C. Malla and Banerjee, Rahul} } @article {48396, title = {Dual-functional 3-acetyl-2,5-dimethylthiophene additive-assisted crystallization control and trap state passivation for high- performance perovskite solar cells}, journal = {ACS Applied Energy Materials}, volume = {5}, year = {2022}, month = {DEC }, pages = {14701-14711}, type = {Article}, abstract = {
Defect-mediated charge recombination and successive degradation mainly lag the performance of perovskite solar cells (PSCs). Insufficiency or evaporation of organic cations leaves behind the undercoordinated Pb2+ ions, which act as severe charge recombination centers. Herein, theoretical and experimental insights into crystallization control and defect passivation of MAPbI3 perovskite by the dual-functional 3-acetyl-2,5-dimethylthiophene (ADT) molecule are pre-sented. Density functional theory calculations show that both functional groups of ADT possessing different interaction energies could interact with PbI2. The carbonyl group in ADT shows the dominant interaction with Pb2+ forming an intermediate product that might decrease the crystallization rate. Further, the coordinate bonding between ADT and uncoordinated Pb2+ ions in perovskite leads to defect passivation. The 0.6\% ADT-modified PSCs possess an average power conversion efficiency (PCE) of 18.22 +/- 0.80\% and the highest PCE of 19.03\%, whereas the pristine PSCs exhibit an average PCE of 16.23 +/- 1.32\% and the highest PCE of 17.47\%. Furthermore, the modified PSCs maintain 80\% of the initial PCE up to 650 h during storage at ambient conditions (RH = 35 +/- 5\%). The present study shows that the simultaneous crystalization control and defect passivation achieved via an ADT additive engineering approach could be an efficient strategy to enhance the PCE and stability of PSCs.
}, keywords = {3-acetyl-2, 5-dimethylthiophene, additive engineering, crystallization control, defect passivation, Perovskite solar cells}, issn = {2574-0962}, doi = {10.1021/acsaem.2c01881}, author = {Saykar, Nilesh G. and Iqbal, Muzahir and Pawar, Mahendra and Chavan, Kashinath T. and Mahapatra, Santosh K.} } @article {48040, title = {Dynamic kinetic resolution of gamma,gamma-disubstituted indole 2-carboxaldehydes via NHC-Lewis acid cooperative catalysis for the synthesis of tetracyclic epsilon-lactones}, volume = {13}, year = {2022}, month = {OCT}, pages = {11513-11518}, type = {Article}, abstract = {
The ubiquity of epsilon-lactones in various biologically active compounds inspired the development of efficient and enantioselective routes to these target compounds. Described herein is the enantioselective synthesis of indole-fused epsilon-lactones by the N-heterocyclic carbene (NHC)-Lewis acid cooperative catalyzed dynamic kinetic resolution (DKR) of in situ generated gamma,gamma-disubstituted indole 2-carboxaldehydes. The Bi(OTf)(3)-catalyzed Friedel-Crafts reaction of indole-2-carboxaldehyde with 2-hydroxy phenyl p-quinone methides generates gamma,gamma-disubstituted indole 2-carboxaldehydes, which in the presence of NHC and Bi(OTf)(3) afforded the desired tetracyclic epsilon-lactones in up to 93\% yield and \>99 : 1 er. Moreover, preliminary studies on the mechanism of this formal [4 + 3] annulation are also provided.
}, issn = {2041-6520}, doi = {10.1039/d2sc03745a}, author = {Balanna, Kuruva and Barik, Soumen and Shee, Sayan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48012, title = {Effect of B site substitution in Gd2B2-xNiyO7-delta (B= Ti, Zr) ternary metal oxide catalysts in dry reforming of methane}, journal = {Molecular Catalysis}, volume = {522}, year = {2022}, month = {APR}, pages = {112242}, type = {Article}, abstract = {
Structured catalysts are emerging as active and durable catalysts in dry reforming of methane due to their inherent characteristics like lattice insertion of active metals and consequent stability imparted. Here we report Ti and Zr substituted Gd2B2-xNiyO7-delta (B = Ti, Zr) catalysts synthesized by citrate gel method, which are characterized and tested for dry reforming of methane. Structure and Ni substitution has been confirmed by Rietveld refinement of powder XRD patterns and Raman analysis. TPR and CO2-TPD were performed to analyze the reducibility and effect of basic sites of catalysts in DRM activity. Ni doped Ti analogue shows stable and superior activity towards dry reforming of methane for 100 h. The in situ IR studies and XPS analysis confirmed the presence of surface hydroxyl species in this catalyst, which triggers the activation of CO2 and provides higher and durable activity in dry reforming reaction. Absence of any C formation in this catalyst after durability test indicates the mechanism of C gasification by the surface hydroxyl species enhancing stable activity for long durations.
}, keywords = {A(2)B(2)O(7), Citrate gel method, Dry reforming of methane, Ternary metal oxide}, issn = {2468-8231}, doi = {10.1016/j.mcat.2022.112242}, author = {Ghodke, Seema R. and Thundiyil, Shibin and Dongapure, Pavan and Devi, R. Nandini} } @article {48025, title = {Effect of ionic interactions on crystallization of star telechelic poly (L-lactide) ionomers}, journal = {Polymer}, volume = {252}, year = {2022}, month = {JUN}, pages = {124939}, type = {Article}, abstract = {
Effect of ionic interactions on crystallization properties of star telechelic poly(L-lactide) ionomers was studied by performing isothermal crystallization experiments. We report a comparison between star PLLA and star telechelic PLLA ionomer. It was evident that the ionic interactions in the ionomer affected the crystallization rate as well as modified the spherulitic morphology. Employing Avrami analysis on the isothermal crystallization data we show that star PLLA shows faster crystallization at higher temperatures (closer to melting point) than the star PLLA ionomer. However, a reversal of this trend in crystallization is observed at lower temperatures (closer to glass transition temperature). The origin of high temperatures behaviour comparison is explained in terms of the higher secondary nucleation barrier for ionomers using the famous Lauritzen- Hoffman secondary nucleation theory. However, we point out that the assumption of equal diffusion barrier in this theory limits its range of applicability. In order to explain the low temperature behaviour, we invoke the activation energy comparison in PLLA and ionomer using rheological studies. We show that although the presence of ions in the polymer impede the secondary nucleation process, its effect is only observed at higher temperatures.
}, keywords = {Crystallization, Ionomer, Poly( L -lactide), Star polymer, Telechelic}, issn = {0032-3861}, doi = {10.1016/j.polymer.2022.124939}, author = {Kulkarni, Amruta} } @article {48231, title = {Effect of oxalic acid and sulphuric acid hydrolysis on the preparation and properties of pineapple pomace derived cellulose nanofibers and nanopapers}, journal = {International Journal of Biological Macromolecules}, volume = {209}, year = {2022}, month = {JUN }, pages = {1745-1759}, type = {Article}, abstract = {
Nanocellulose is the {\textquoteleft}{\textquoteleft}green magnet{\textquoteright}{\textquoteright} which attracts a wide spectrum of industries towards it due to its availability, biodegradability, and possible smart applications. For the first time, pineapple pomace was being explored as an economic precursor for cellulose nanofibers. Nanofiber isolation was accomplished using a chemo-mechanical method and solution casting was adopted for the development of nanopapers. Moreover, the study examines the structural, optical, crystalline, dimensional, and thermal features of nanofibers isolated using different acid hydrolysis (oxalic acid and sulphuric acid) methods. Fourier-transform infra-red spectroscopy, 13C solid-state nuclear magnetic resonance spectroscopy, and X-ray diffraction analysis indicated the presence of type I cellulose. The transmittance, crystallinity index, and thermal stability of PPNFS (sulphuric acid treated fiber) were greater than PPNFO (oxalic acid treated fiber). The transmission electron microscopy and dynamic light scattering analysis confirmed the nanodimension of PPNFO and PPNFS. While comparing the optical and mechanical properties of nanopapers, PPNFS outperforms PPNFO. The tensile strength of the prepared nanopapers (64 MPa (PPNFO) and 68 MPa (PPNFS)) was found to be high compared to similar works reported in the literature. The prepared nanopaper is proposed to be used for food packaging applications.
}, keywords = {cellulose nanofibers, Cellulosic nanopapers, Pineapple pomace}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2022.04.138}, author = {Neenu, K. V. and Dominic, C. D. Midhun and Begum, P. M. Sabura and Parameswaranpillai, Jyotishkumar and Kanoth, Bipinbal Parambath and David, Deepthi Anna and Sajadi, S. Mohammad and Dhanyasree, P. and Ajithkumar, T. G. and Badawi, Michael} } @article {47719, title = {The effects of cis and trans butenedioic acid on the physicochemical behavior of lumefantrine}, journal = {Crystengcomm}, volume = {24}, year = {2022}, month = {JAN }, pages = {156-168}, type = {Article}, abstract = {The present work investigates the effects of cis and trans butenedioic acid isomers (maleic acid and fumaric acid) on the crystallinity and pharmaceutical behavior of lumefantrine. Differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), attenuated total reflectance infrared spectroscopy (ATR-IR), solid-state nuclear magnetic resonance spectroscopy (ss-NMR), and single-crystal X-ray diffraction (SC-XRD) studies were employed. Lumefantrine-fumaric acid crystallized as a salt in the monoclinic space group P2(1)/c. In comparison, DSC and PXRD showed the formation of a co-amorphous solid with maleic acid. Complete proton transfer with a strong ionic interaction led to crystalline salt formation with the trans isomer, whereas weaker/fewer hydrogen bonds with the cis isomer of butenedioic acid led to a co-amorphous salt. The in vitro dissolution of both salts resulted in a similar 2.6-2.7-fold improvement in dissolution rate when compared to that of the crystalline lumefantrine. The crystalline and co-amorphous salts were stable under accelerated stability conditions (40 +/- 2 degrees C and 75 +/- 5\% RH) for one month.}, doi = {10.1039/d0ce01709d}, author = {Tomar, Devendrasingh and Lodagekar, Anurag and Gunnam, Anilkumar and Allu, Suryanarayana and Chavan, Rahul B. and Tharkar, Minakshi and Ajithkumar, T. G. and Nangia, Ashwini K. and Shastri, Nalini R.} } @article {48169, title = {Efficient cascade C-N coupling reactions catalyzed by a recyclable MoOx/ Nb2O5 nanomaterial for valuable N-heterocycles synthesis}, journal = {Molecular Catalysis}, volume = {532}, year = {2022}, month = {NOV}, pages = {112742}, type = {Article}, abstract = {
The efficient cascade synthesis of pharmaceutically valuable N-heterocycles at solvent-free conditions was achieved using a robust, recyclable MoOx/Nb2O5 nanocatalyst. The results of catalyst screening revealed that the MoOx/Nb2O5 nanorods, calcined at 500 degrees C (MoNb5), exhibit excellent catalytic activity in the oxidative coupling of benzylamine with 96.5\% conversion and \>99.6\% selectivity to the desirable imine product. The uniform dispersion of Mo-oxide nanoparticles (average particle size: 5.2 +/- 0.5 nm) on shape-controlled Nb2O5 nanorods (width: 5.3 +/- 0.5 nm and length: 23-38 nm) in MoNb5 catalyst led to improved structural and acid properties, beneficial for the cascade C-N bond construction. The shape-controlled MoNb5 catalyst showed versatile activity in various cascade C-N coupling reactions to obtain 2-phenylbenzimidazole, 2-phenyl-quinaxoline, and 2-phenyl-2,3-dihydroquinazolin-4(1H)-one with good to excellent yields at solvent-free con-ditions. The optimum ratio of Lewis/Bronsted acid sites, the unique structure of Nb2O5 nanorods, and the strong MoO3-Nb2O5 interaction are the key reasons for the higher activity of MoNb5 catalyst. The efficient reusability of MoNb5 catalyst, its remarkable activity in diverse N-heterocycles synthesis, and efficient gram-scale synthesis emphasize its practical application for the cascade C-N coupling reactions under benign conditions.
}, keywords = {Acid sites optimization, Cascade C-N bond formation, Diverse nitrogenous chemicals, Heterogeneous nanosized catalyst, MoO3-Nb2O5 interaction, Nb2O5 nanorods}, issn = {2468-8231}, doi = {10.1016/j.mcat.2022.112742}, author = {Singh, Nittan and Kalbande, Pavan Narayan and Umbarkar, Shubhangi and Sudarsanam, Putla} } @article {48083, title = {Efficient route to 3,3 {\textquoteleft}-biindolinylidene-diones by iron-catalyzed dimerization of isatins}, journal = {Chemistry-an Asian Journal}, volume = {17}, year = {2022}, month = {AUG}, pages = {e202200414}, type = {Article}, abstract = {
Iron-catalyzed dimerization of various isatin derivatives is described for the efficient synthesis of 3,3 {\textquoteleft}-biindolinylidene-diones (isoindigos). The reaction provides easy access to self-coupled and cross-coupled 3,3 {\textquoteleft}-indolinylidene-diones that have high relevance to biology and materials. This Fe(0)- or Fe(II)-catalyzed dimerization reaction tolerates a wide range of functionalities, such as fluoro, chloro, bromo, alkenyl, nitrile, ether, ester, pyrrolyl, indolyl and carbazolyl groups, including cyclic and acyclic alkyls as well as an alkyl-bearing fatty-alcohol moiety. Especially, the coupling between two distinct isatins provided excellent selectivity for the cross-dimerization with trace of self-couplings. The single-crystal X-ray diffraction study established the molecular structure of eight dimerized products. A preliminary mechanistic study of the Fe-catalyzed dimerization supported the radical pathway for the reaction.
}, keywords = {Cross-coupling, dimerization, iron, Isatin, Isoindigo, Mechanism}, issn = {1861-4728}, doi = {10.1002/asia.202200414}, author = {Jagtap, Rahul A. and Pradhan, Chandini and Gonnade, Rajesh G. and Punji, Benudhar} } @article {48101, title = {Efficient synthesis of 5-(hydroxymethyl)furfural esters from polymeric carbohydrates using 5-(chloromethyl)furfural as a reactive intermediate}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {10}, year = {2022}, month = {MAY}, pages = {5803-5809}, type = {Article}, abstract = {
This work reports an efficient, gram-scale synthesis of 5-(hydroxymethyl)furfural (HMF) esters using biomass-derived 5-(chloromethyl)furfural (CMF) as a reactive intermediate. The HMF-esters have potential applications as chemicalintermediates, fuel additives, and bioactive compounds. Initially, CMF was prepared in good yields directly from polymericcarbohydrates (starch, inulin, and cellulose) and cellulosic materials (cotton andfilter paper) using a biphasic batch reaction system,consisting of aqueous hydrochloric acid and 1,2-dichloroethane. The use of ZnCl2as an additive allowed the reaction to proceedunder milder conditions while significantly improving the isolated yield of CMF. The effects of reaction temperature, reaction time,extracting solvent, and ZnCl2loading on CMF yield were investigated. Microcrystalline cellulose was converted into CMF with a72\% isolated yield under optimized reaction conditions (80 degrees C, 2 h). After that, CMF was transformed into various novel esters ofHMF in excellent isolated yields (\>85\%) by reacting with a slight excess amount of the triethylammonium salt of various alkyl/arylcarboxylic acids under solvent-free conditions
}, keywords = {catalysis, cellulose, furanics, HMF-esters, renewable synthesis}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c08571}, author = {Bhat, Navya Subray and Hegde, Shobhita L. and Dutta, Saikat and Sudarsanam, Putla} } @article {48018, title = {Electrocatalytic alcohol oxidation by a molecular iron complex}, journal = {Faraday Discussions}, volume = {234}, year = {2022}, month = {MAY}, pages = {42-57}, type = {Article}, abstract = {
An efficient electrochemical method for the selective oxidation of alcohols to their corresponding aldehydes/ketones using a biomimetic iron complex, [(bTAML)Fe-III-OH2](-), as the redox mediator in an undivided electrochemical cell with inexpensive carbon and nickel electrodes using water as an oxygen source is reported. The substrate scope also includes alcohols that contain O and N heteroatoms in the scaffold, which are well tolerated under these reaction conditions. Mechanistic studies show the involvement of a high-valent Fe-V(O) species, [(bTAML)Fe-V(O)](-), formed via PCET (overall 2H(+)/2e(-)) from [(bTAML)Fe-III-OH2](-) at 0.77 V (vs. Fc(+)/Fc). Moreover, electrokinetic studies of the oxidation of C-H bonds indicate a second-order reaction, with the C-H abstraction by Fe-V(O) being the rate-determining step. The overall mechanism, studied using linear free energy relationships and radical clocks, indicates a {\textquoteleft}{\textquoteleft}net hydride{\textquoteright}{\textquoteright} transfer, leading to the oxidation of the alcohol to the corresponding aldehyde or ketone. When the reaction was carried out at pH \> 11, the reaction could be carried out at a similar to 500 mV lower potential than that at pH 8, albeit with reduced reaction rates. The reactive intermediate involved at pH \> 11 is the corresponding one-electron oxidized [(bTAML)Fe-IV(O)](2-) species.
}, issn = {1359-6640}, doi = {10.1039/d1fd00074h}, author = {Kuiry, Himangshu and Das, Debasree and Das, Soumadip and Chakraborty, Soham and Chandra, Bittu and Sen Gupta, Sayam} } @article {48022, title = {Electrochemically tuned synergistic nano-interface of a tertiary Ni(OH)(2)-NiO(OH)/NixP heterojunction material for enhanced and durable alkaline water splitting}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {AUG}, pages = {e202201171}, type = {Article}, abstract = {
Making water splitting cheaper is the need of the hour.The present work reports a nickel-based, non-precious catalytic system, synthesized by a two-step electrodeposition (ED) process followed by a short-term heat treatment. The Ni(OH)(2)-NiO(OH)/NixP heterojunction has been synthesized and optimized through an unprecedented, energy-conserving method to achieve its best OER performance. Further, it has been carefully tuned for the first time by thoroughly optimizing the ED parameters to exhibit Hydrogen Evolution Reaction (HER). At high current regimes, the performance surpassed that of the Ru/C and Pt/C (\>= 500 mA and \>= 600 mA) respectively. The full cell electrolyzer configuring NOPO||NOPH further establishes the supremacy of the present electrocatalysts over the benchmark Ru/C||Pt/C. Moreover, the present electrocatalyst displayed 60 and 70 hours of HER and OER performances at -100 mA and 100 mA currents respectively. In short, this work is an example that illustrates how a single chemical system gets to exhibit two complementary catalytic behaviors that is, water oxidation and reduction when certain synthetic parameters are meticulously optimized.
}, keywords = {Electrodeposition, heterojunction, Ni(OH)(2)-NiO(OH), NixP, non-precious metal, water splitting}, issn = {2365-6549}, doi = {10.1002/slct.202201171}, author = {Manappadan, Zinoy and Selvaraj, Kaliaperumal} } @article {48186, title = {Electrodeposited layered sodium vanadyl phosphate (NaxVOPO4 center dot nH(2)O) as cathode material for aqueous rechargeable zinc metal batteries}, journal = {Energy \& Fuels}, volume = {36}, year = {2022}, month = {JUN }, pages = {6520-6531}, type = {Article}, abstract = {
Aqueous rechargeable zinc metal batteries (ARZMBs) present a safer and cost-effective solution for energy storage in stationary applications. However, a major challenge is the lack of suitable cathode materials simultaneously exhibiting high operating voltage and long cycling stability. Herein, we report the polyanionic sodium-intercalated layered vanadyl phosphate [NaxVOPO4 center dot nH(2)O (NVP)] as a suitable high-voltage and stable cathode for ARZMBs. This work employs a simpler electrochemical route (electrodeposition) for the synthesis of NVP over functionalized carbon fiber substrates and its application as a binder-free cathode in ARZMBs. The electrodeposited NVP possesses a morphology of vertically aligned well-separated nanosheet bundles resembling a flower. When used as the ARZMB cathode, the NVP electrode delivers a specific discharge capacity of 100 mA h g(-1) at 0.033 A g(-1) and high cycling stability (98\% retention of the initial capacity over 1100 cycles at 0.333 A g(-1)) in a mild aqueous electrolyte with moderate zinc salt concentration. The observed electrochemical performance of NVP is credited to the synergistic effect of unique nanoflower morphology, the pillaring effect offered by the intercalated Na, and the intimate contact of the active material with the carbon fiber network. These factors are favorable for enhancing the transport of the electrolyte ions and electrons and maintaining the structural stability of the electrode during long-term cycling. The NVP electrode could also deliver appreciable performance (a discharge capacity of 73 mA h g(-) 1 and a current density of 0.033 A g(-1)) in quasi-solidstate ARZMB cells employing PVA/Zn(CF3SO3)(2) gel electrolyte.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.2c00831}, author = {Dilwale, Swati and Ghosh, Meena and Vijayakumar, Vidyanand and Kurungot, Sreekumar} } @article {48359, title = {Electronic structure evolution from metallic vanadium to metallic VxOy: a nappes study for o2+v gas-solid interaction}, journal = {Journal of Physical Chemistry C}, volume = {126}, year = {2022}, month = {NOV}, pages = {19136-19146}, type = {Article}, abstract = {
Gas-solid interactions between molecular oxygen and metallic vanadium surfaces and the systematic evolution in the electronic structure of vanadium oxide (VOx) surfaces have been explored in the present work by near-ambient pressure photo-electron spectroscopy (NAPPES). The current article studies the evolution of various oxides of vanadium as a function of partial pressure of O2 (ultrahigh vacuum to 1 mbar), temperature (298- 875 K), and the exposure time to oxygen (up to 18 h). Valence -band (VB) and core-level spectral measurements recorded with UV (He-I = 21.2 eV) and Al K alpha (1486.6 eV) photons, respectively, show interesting changes. (1) Oxidation is limited to the top layers of vanadium at 298 K and up to a partial pressure of 1 mbar O2. About 50\% of vanadium gets oxidized, and the remaining amount exists as metal within the top 10 nm. (2) Metallic vanadium disappears above 625 K, and it is predominantly oxidized to a mixture of V4+ and V5+ oxidation states at a 0.1 mbar partial pressure of O2. Points 1 and 2 suggest the predominantly thermodynamically controlled nature of vanadium oxidation through oxygen diffusion into the subsurface and bulk layers. (3) The Fermi-level (EF) feature observed first at \>= 725 K at a 0.1 mbar O2 pressure demonstrates the formation of metallic VO2; however, its metallic nature is preserved even at ambient temperature due to interweaving nanodomains of VOx with VO2. (4) Only partial conversion of surface layers to V5+ (V2O5) along with VO2 and V2O3 (within the probing depth of 8-10 nm by near-ambient pressure X-ray photoelectron spectroscopy (NAP-XPS)) was observed even after prolonged heating (18 h) in 1 mbar O2 pressure. (5) The nature of the surface changes between metal and semiconducting/ insulator oxides is substantiated by the observation of changes in work function (phi) and EF features. Typical VB features and Fermi intensity of V-metal and vanadium oxides were observed, and the results were corroborated with core-level and VB spectra. The present results extend the capabilities of NAPPES to explore the electronic structure evolution as a function of reaction conditions and underscore its relevance to areas such as heterogeneous catalysis and sensing.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.2c05212}, author = {Ranjan, Ravi and Mhamane, Nitin B. and Kolekar, Sadhu K. and Gopinath, Chinnakonda S.} } @article {48412, title = {Electrospun zinc-manganese bimetallic oxide carbon nanofibers as freestanding supercapacitor electrodes}, journal = {International Journal of Energy Research}, volume = {46}, year = {2022}, month = {DEC}, pages = {22100-22112}, type = {Article}, abstract = {
Flexible, lightweight, and freestanding zinc-manganese oxide carbon nanofibers are promising materials for the fabrication of portable electronic devices. Composite nanofibers were synthesized using terephthalic acid and sodium dodecyl sulfate. Terephthalic acid improves the flexibility of the composite fibers and facilitates the diffusion of electrolytic ions. Meanwhile, sodium dodecyl sulfate aids to elevate the metal (zinc) oxide particles to the surface of the nanofibers during annealing. The texturing of the carbon nanofiber surface with ZnO enhances the electrochemical activity of the composite fibers. Parametric studies were conducted by varying the weight ratio of zinc and manganese acetates from zero to unity. The optimal case with a ratio of 0.75 produces specific capacitances of 1080 and 817 F center dot g(-1) at current densities of 1 and 10 A center dot g(-1), respectively, with a wide potential window of 1.6 V, indicating outstanding energy storage capabilities. The capacitance retention was 92\% after 10 000 galvanostatic charge-discharge cycles. The bending angle test confirmed the mechanical durability of the freestanding carbon nanofiber electrodes, and the corresponding change in the cyclic voltammetry curve was negligible.
}, keywords = {electrospinning, freestanding electrode, high-energy-density, supercapacitor, ZnMn2O4}, issn = {0363-907X}, doi = {10.1002/er.7719}, author = {Joshi, Bhavana and Samuel, Edmund and Kim, Yongil and Kim, Taegun and El-Newehy, Mohamed and Aldalbahi, Ali and Yoon, Sam S.} } @article {48410, title = {Elliptically birefringent chemically tuned liquid crystalline nanocellulose composites for photonic applications}, journal = {Journal of Molecular Liquids}, volume = {366}, year = {2022}, month = {NOV }, pages = {120326}, type = {Article}, abstract = {
Cellulose nanocrystals (CNCs) based photonic materials are one of the promising materials in the recent trends. The liquid crystalline behavior of the CNCs can be tailored to different advanced applications. The proposed research investigates the potential of CNCs as an optically active material. CNCs were tuned to hydroxypropyl nano cellulose (HPNC) with the degree of substitution 1.39. The prepared liquid crystalline HPNC were dispersed in various concentrations of monomethyl ether of polyethylene glycol to get waterborne materials with specific optical anisotropy. The extraction, modification, and morphology of the CNCs were investigated using NMR (Nuclear Magnetic Resonance), TEM (Transmission Electron Microscopy), XRD (X-ray Powder Diffraction), and FESEM (Field Emission Scanning Electron Microscopy) analysis. The prepared HPNC was analyzed using a hot stage POM (Polarized Optical Microscope) for optical anisotropy. The thermal stability of prepared CNCs and HPNC was also investigated. Upon optimization using rheology and POM, it was found that at the ratio of 1:1, HPNC (5 wt\%) and mPEG (40 wt\%) had the most distinct optical properties. The potential of the prepared materials can be further explored in sensing, smart coating, and security materials. (C) 2022 Elsevier B.V. All rights reserved.
}, keywords = {bagasse, Cellulose nanocrystals, Elliptical birefringence, liquid crystals, optical anisotropy}, issn = {0167-7322}, doi = {10.1016/j.molliq.2022.120326}, author = {Singh, Shiva and Bhardwaj, Shakshi and Verma, Chhavi and Chhajed, Monika and Balayan, Kajal and Ghosh, Kaushik and Maji, Pradip K.} } @article {48229, title = {Elucidating the influence of structure and Ag+ -Na+ ion-exchange on crack-resistance and ionic conductivity of Na3Al1.8Si1.65 P-1.8 O-12 glass electrolyte}, journal = {Acta Materialia}, volume = {227}, year = {2022}, month = {APR }, pages = {117745}, type = {Article}, abstract = {
Glasses are emerging as promising and efficient solid electrolytes for all-solid-state sodium-ion batteries. However, they still suffer from poor ionic conductivity and crack-resistance, which need to be improved for better battery performance, reliability, and service life. The current study shows a significant enhancement in crack resistance (from 11.3 N to 32.9 N) for Na3Al (1.8) Si-1.65 P1.8O12 glass (Ag-0 glass) upon Na+ -Ag+ ion-exchange (IE) due to compressive stresses generated in the glass surface while the ionic conductivity values (similar to 10(-5) S/cm at 473 K) were retained. In this study, magic angle spinning-nuclear magnetic resonance (MAS-NMR), molecular dynamics (MD) simulations, Vickers micro hardness, and impedance spectroscopic techniques were used to evaluate the intermediate-range structure, atomic structure, crack resistance and conductivity of the glass. MAS-NMR and MD simulations confirm the presence of Si-OAl-O-P groups in the glass, thus enabling formation of Na percolated channel regions. AC-conductivity analysis for Ag-0 and ion-exchanged Ag-0 glass suggests that the mobility of Na+ ion increases with increasing temperature. It is observed that the measured mean square displacement (root \< R-2(t(p))\>) for sodium cations using AC-conductivity isotherms is nearly constant up to 448 K and then increases with increasing temperature up to 523 K. From the impedance spectra for ion-exchanged Ag-0 glass, it is identified that the increase in root \< R-2 (t(nu))\> and thereby, the mobility of sodium-ions for Ag-0 glass is due to the structural variations in the Ag-0 glass with increasing the temperature. Overall, the mechanisms presented in this article helps in formulating better glass based electrolyte materials for room temperature or high temperature sodium-ion batteries. (C) 2022 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
}, keywords = {amorphous, Ion-exchange, Ionic-conductivity, MD simulations, Mechanical property}, issn = {1359-6454}, doi = {10.1016/j.actamat.2022.117745}, author = {Keshri, Shweta R. and Mandal, Indrajeet and Ganisetti, Sudheer and Kasimuthumaniyan, S. and Kumar, Rajesh and Gaddam, Anuraag and Shelke, Ankita and Ajithkumar, Thalasseril G. and Gosvami, Nitya Nand and Krishnan, N. M. Anoop and Allu, Amarnath R.} } @article {47993, title = {Emerging landscape of molecular interaction networks: opportunities, challenges and prospects}, journal = {Journal of Biosciences}, volume = {47}, year = {2022}, month = {APR}, pages = {24}, type = {Review}, abstract = {
Network biology finds application in interpreting molecular interaction networks and providing insightful inferences using graph theoretical analysis of biological systems. The integration of computational bio-modelling approaches with different hybrid network-based techniques provides additional information about the behaviour of complex systems. With increasing advances in high-throughput technologies in biological research, attempts have been made to incorporate this information into network structures, which has led to a continuous update of network biology approaches over time. The newly minted centrality measures accommodate the details of omics data and regulatory network structure information. The unification of graph network properties with classical mathematical and computational modelling approaches and technologically advanced approaches like machine-learning- and artificial intelligence-based algorithms leverages the potential application of these techniques. These computational advances prove beneficial and serve various applications such as essential gene prediction, identification of drug-disease interaction and gene prioritization. Hence, in this review, we have provided a comprehensive overview of the emerging landscape of molecular interaction networks using graph theoretical approaches. With the aim to provide information on the wide range of applications of network biology approaches in understanding the interaction and regulation of genes, proteins, enzymes and metabolites at different molecular levels, we have reviewed the methods that utilize network topological properties, emerging hybrid network-based approaches and applications that integrate machine learning techniques to analyse molecular interaction networks. Further, we have discussed the applications of these approaches in biomedical research with a note on future prospects.
}, keywords = {Centrality, disease mechanisms, hybrid network-based models, machine learning, molecular interaction networks, network topology, systems biology}, issn = {0250-5991}, doi = {10.1007/s12038-022-00253-y}, author = {Panditrao, Gauri and Bhowmick, Rupa and Meena, Chandrakala and Sarkar, Ram Rup} } @article {48191, title = {Enantioselective Au(I)/Au(III) redox catalysis enabled by chiral (P,N)-ligands}, journal = {Journal of the American Chemical Society}, volume = {144}, year = {2022}, month = {APR}, pages = {7089-7095}, type = {Article}, abstract = {
Presented herein is the first report of enantioselective Au(I)/Au(III) redox catalysis, enabled by a newly designed hemilabile chiral (P,N)-ligand (ChetPhos). The potential of this concept has been demonstrated by the development of enantioselective 1,2-oxyarylation and 1,2-aminoarylation of alkenes which provided direct access to the medicinally relevant 3-oxy- and 3-aminochromans (up to 88\% yield and 99\% ee). DFT studies were carried out to unravel the enantiodetermining step, which revealed that the stronger trans influence of phosphorus allows selective positioning of the substrate in the C-2-symmetric chiral environment present around nitrogen, imparting a high level of enantioselectivity.
}, issn = {0002-7863}, doi = {10.1021/jacs.2c02799}, author = {Chintawar, Chetan C. and Bhoyare, Vivek W. and Mane, Manoj V. and Patil, Nitin T.} } @article {48137, title = {Enantioselective Cu(I)-catalyzed borylative cyclization of enone-tethered cyclohexadienones and mechanistic insights}, journal = {Nature Communications}, volume = {13}, year = {2022}, month = {FEB }, pages = {854}, type = {Article}, abstract = {
Rapidly building molecular structures with both elements of complexity and flexibility is a key goal of organic synthesis. Here the authors show a tandem copper-catalyzed beta-borylation/Michael addition on prochiral enone-tethered 2,5-cyclohexadienones, to generate bicyclic borylated products in high yield and enantioselectivity. The catalytic asymmetric borylation of conjugated carbonyls followed by stereoselective intramolecular cascade cyclizations with in situ generated chiral enolates are extremely rare. Herein, we report the enantioselective Cu(I)-catalyzed beta-borylation/Michael addition on prochiral enone-tethered 2,5-cyclohexadienones. This asymmetric desymmetrization strategy has a broad range of substrate scope to generate densely functionalized bicyclic enones bearing four contiguous stereocenters with excellent yield, enantioselectivity, and diastereoselectivity. One-pot borylation/cyclization/oxidation via the sequential addition of sodium perborate reagent affords the corresponding alcohols without affecting yield and enantioselectivity. The synthetic potential of this reaction is explored through gram-scale reactions and further chemoselective transformations on products. DFT calculations explain the requirement of the base in an equimolar ratio in the reaction, as it leads to the formation of a lithium-enolate complex to undergo C-C bond formation via a chair-like transition state, with a barrier that is 22.5 kcal/mol more favourable than that of the copper-enolate complex.
}, issn = {0039-7881}, doi = {10.1038/s41467-022-28288-7}, author = {Jadhav, Sandip B. and Dash, Soumya Ranjan and Maurya, Sundaram and Nanubolu, Jagadeesh Babu and Vanka, Kumar and Chegondi, Rambabu} } @article {48423, title = {Enantioselective separation of amino acids using chiral polystyrene microspheres synthesized by a post-polymer modification approach}, journal = {ACS Polymers Au}, volume = {2}, year = {2022}, month = {MAR}, pages = {257{\textendash}265}, type = {Article}, abstract = {
The enantioselective separation of a racemic mixture of amino acids was achieved by chiral amino acid-modified polystyrene (PS) that was developed by a post-polymer modification approach. Styrene was polymerized using the reversible addition{\textendash}fragmentation chain-transfer (RAFT) polymerization technique and further post-polymer modification was applied by Friedel{\textendash}Crafts acylation reaction with chiral\ N-phthaloyl-l-leucine acid chloride to obtain the protected PS-l-Leu. The chiral PS (protected PS-l-Leu) was assembled into microspheres using a surfactant and was used for carrying out the enantioselective separation of amino acid racemic mixtures by enantioselective adsorption followed by a simple filtration process. Compared to as-precipitated chiral PS (protected PS-l-Leu) powder, the protected PS-l-Leu microspheres exhibited a better enantioselective separation efficiency (ee \%). Furthermore, the protected PS-l-Leu was deprotected to obtain the amine-functionalized deprotected PS-l-Leu chiral PS, which was also assembled into microspheres and used for carrying out enantioselective separation. Deprotected PS-l-Leu-functionalized chiral PS microspheres could achieve up to 81.6 ee \% for the enantioselective separation of a racemic mixture of leucine. This is one of the first reports of the synthesis of amino acid-modified chiral PS microspheres and their application to the simple filtration-based enantioselective separation of native amino acids from their racemic mixtures.
}, doi = {10.1021/acspolymersau.2c00004}, author = {Nikam, Shrikant B. and Asha S. K} } @article {48358, title = {Enantioselective synthesis of dihydrothiopyranones via NHC- catalyzed [3+3] annulation of 2-bromoenals with beta-oxodithioesters}, journal = {Organic Letters}, volume = {24}, year = {2022}, month = {DEC}, pages = {8848-8853}, type = {Article}, abstract = {
The N-heterocyclic carbene (NHC)-organocata-lyzed [3 + 3] annulation of 2-bromoenals with fi-oxodithioesters resulting in the enantioselective synthesis of dihydrothiopyranones is presented. The chiral a,fi-unsaturated acylazoliums generated from 2-bromoenals and carbenes underwent smooth interception with the sulfur nucleophiles to furnish the sulfur heterocycles in satisfactory yields/selectivity. The regioselective formation of dihydrothiopyranones over the competing dihydropyranones is noteworthy.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.2c03642}, author = {Barik, Shilpa and Shee, Sayan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48114, title = {Enceleamycins A-C, furo-naphthoquinones from amycolatopsis sp. MCC0218: isolation, structure elucidation, and antimicrobial activity}, journal = {Journal of Natural Products}, volume = {85}, year = {2022}, month = {MAY}, pages = {1267-1273}, type = {Article}, abstract = {
Three novel furo-naphthoquinones, enceleamycins A-C (1-3), and a new N-hydroxypyrazinone acid (4) were identified from the strain Amycolatopsis sp. MCC 0218, isolated from a soil sample collected from the Western Ghats of India. Their chemical structure and absolute and relative configurations were established by 1D and 2D NMR spectroscopy, single-crystal X-ray crystallography, and high-resolution mass spectrometry. Compounds 1 and 3 were active against methicillin-susceptible and -resistant Staphylococcus aureus with MIC values of 2-16 mu g/mL.
}, issn = {0163-3864}, doi = {10.1021/acs.jnatprod.1c01160}, author = {Khan, Abujunaid and Said, Madhukar S. and Borade, Balasaheb R. and Gonnade, Rajesh and Barvkar, Vitthal and Kontham, Ravindar and Dastager, Syed G.} } @article {48348, title = {Engineering nucleotide sugar synthesis pathways for independent and simultaneous modulation of N-glycan galactosylation and fucosylation in CHO cells}, journal = {Metabolic Engineering}, volume = {74}, year = {2022}, month = {NOV}, pages = {61-71}, type = {Article}, abstract = {
Glycosylation of recombinant therapeutics like monoclonal antibodies (mAbs) is a critical quality attribute. N-glycans in mAbs are known to affect various effector functions, and thereby therapeutic use of such glycoproteins can depend on a particular glycoform profile to achieve desired efficacy. However, there are currently limited options for modulating the glycoform profile, which depend mainly on over-expression or knock-out of glyco-syltransferase enzymes that can introduce or eliminate specific glycans but do not allow predictable glycoform modulation over a range of values. In this study, we demonstrate the ability to predictably modulate the gly-coform profile of recombinant IgG. Using CRISPR/Cas9, we have engineered nucleotide sugar synthesis pathways in CHO cells expressing recombinant IgG for combinatorial modulation of galactosylation and fucosylation. Knocking out the enzymes UDP-galactose 4 {\textquoteleft}-epimerase (Gale) and GDP-L-fucose synthase (Fx) resulted in ablation of de novo synthesis of UDP-Gal and GDP-Fuc. With Gale knock-out, the array of N-glycans on recom-binantly expressed IgG is narrowed to agalactosylated glycans, mainly A2F glycan (89\%). In the Gale and Fx double knock-out cell line, agalactosylated and afucosylated A2 glycan is predominant (88\%). In the double knock-out cell line, galactosylation and fucosylation was entirely dependent on the salvage pathway, which allowed for modulation of UDP-Gal and GDP-Fuc synthesis and intracellular nucleotide sugar availability by controlling the availability of extracellular galactose and fucose. We demonstrate that the glycoform profile of recombinant IgG can be modulated from containing predominantly agalactosylated and afucosylated glycans to up to 42\% and 96\% galactosylation and fucosylation, respectively, by extracellular feeding of sugars in a dose-dependent manner. By simply varying the availability of extracellular galactose and/or fucose, galactosylation and fucosylation levels can be simultaneously and independently modulated. In addition to achieving the pro-duction of tailored glycoforms, this engineered CHO host platform can cater to the rapid synthesis of variably glycoengineered proteins for evaluation of biological activity.
}, keywords = {Antibody, Cell engineering, Fucosylation, Fx, Galactosylation, Gale, glycosylation, Nucleotide sugar synthesis, Recombinant therapeutics}, issn = {1096-7176}, doi = {10.1016/j.ymben.2022.09.003}, author = {Prabhu, Anuja and Shanmugam, Dhanasekaran and Gadgil, Mugdha} } @article {47983, title = {Enhanced anisole hydroxylation over a hierarchical micro/mesoporous TS-1 catalyst}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {AUG}, pages = {14667-14675}, type = {Article}, abstract = {
Hierarchical TS-1 materials were synthesized using hydrothermal synthesis and a post modification technique through desilication. They were evaluated for hydroxylation of anisole to produce industrially important chemicals, o-methoxyphenol (OMP) and p-methoxyphenol (PMP). The detailed characterization of the prepared catalysts, such as morphology, structure, nature of Ti and surface area were obtained by SEM, HR-TEM, XRD, UV-VIS spectroscopy and the BET technique. The effects of various operational parameters such as substrate/H2O2 molar ratio, reaction temperature, catalyst concentration and solvent effect on the hydroxylation of anisole have been studied in detail. The microporous TS-1 catalyst showed 32\% anisole conversion with 34\% selectivity to PMP, while the micro/mesoporous DTS-1 catalyst showed enhanced activity for anisole hydroxylation, i.e. 54\% conversion with 55\% selectivity towards PMP. The increased framework Ti and improved accessibility of the active sites located in the channels of DTS-1, which permit the mass transfer of reactants, transition states and products from the mesopores of DTS-1, were responsible for the enhanced catalytic activity and selectivity towards p-methoxyphenol.
}, issn = {1144-0546}, doi = {10.1039/d2nj01556k}, author = {Patil, Chetana R. and Niphadkar, Prashant and Kamble, Sanjay P. and Rode, V. Chandrashekhar} } @article {48190, title = {Enhanced field emission behaviour from ethylene glycol mediated synthesis of 2D hexagonal SnS2 disc with nanoparticle}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {284}, year = {2022}, month = {OCT}, pages = {115865}, type = {Article}, abstract = {
Herein, octahedron and stacked 2D hexagonal disc - like nanostructures of SnS2 were obtained by hydrothermal and ethylene glycol mediated hydrothermal methods, respectively. Attempt has been made to shade light on the plausible growth mechanism. Liquid phase exfoliation followed by centrifugation process leads to presence of tiny single crystalline SnS2 nanoparticles (similar to 5 nm) on the hexagonal discs over C substrate, characterized by preferred growth along {001} direction. The observed Raman shift and enhanced intensities of A(1g) and E-g modes infer charge interactions between the SnS2 disc and C substrate. Interestingly, the SnS2-C emitter exhibited superior field emission (FE) behaviour due to the unique morphology, excellent charge transfer, and reduced work function (similar to 4.1 eV). Here the extraction of large current density of similar to 1137 mu A/cm(2) at an applied field of 3.72 V/mu m, with good emission current stability. The present strategy is beneficial to design architectured morphology for multi-functionality.
}, keywords = {2D layered materials, Field Emission (FE), SnS2, SnS2 on C}, issn = {0921-5107}, doi = {10.1016/j.mseb.2022.115865}, author = {Mutadak, Pallavi R. and Chaudhari, Nilima S. and Gadhave, Dattatraya C. and Rajput, Parikshit K. and Kolekar, Sadhu K. and Late, Dattatray J. and More, Mahendra A. and Warule, Sambhaji S.} } @article {48225, title = {Enhanced hydrogen fuel production using synergistic combination of solar radiation and TiO2 photocatalyst coupled with Burkholderia cepacia lipase}, journal = {International Journal of Hydrogen Energy}, volume = {47}, year = {2022}, month = {APR }, pages = {14483-14492}, type = {Article}, abstract = {
Promising and sustainable alternatives for hydrogen production have been investigated. Among these, the use of enzymes may represent an efficient alternative. In this work, an increase in hydrogen production under simulated sunlight by combining TiO2 and TiO2/MgCl2 with Burkholderia cepacia lipase (BCL) was reported. The samples (TiO2, TiO2/MgCl2, and TiO2 /MgCl2/BCL) were characterized by X-ray diffraction (XRD), thermo-gravimetric (TGA), N-2 adsorption-desorption isotherms (BET), scanning electron microscopy (SEM), and UV-Visible absorption spectra. Hydrogen production tests were performed in aqueous methanol solutions under simulated sunlight. The results demonstrated that 130-times greater increase in hydrogen production rate was observed by the addition of BCL than individual TiO2. This better hydrogen production rate can be attributed to the increase in the amount of reduction equivalent of the system due to the oxidation of protein peptides caused by TiO2. In conclusion, the results indicate that hydrogen production efficiency can be significantly improved when integrating TiO2/MgCl2 with BCL. (C) 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {hydrogen production, Lipase, Nano-conjugated enzymes, Photocatalyst, Solar radiation, Titanium dioxide}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2022.02.220}, author = {de Souza Brandao, Luma Mirely and Barbosa, Milson dos Santos and de Jesus, Roberta Anjos and Bharad, Pradnya Arunrao and Lima, Alvaro Silva and Faria Soares, Cleide Mara and Navarro Yerga, Rufino Manuel and Bilal, Muhammad and Romanholo Ferreira, Luiz Fernando and Iqbal, Hafiz M. N. and Gopinath, Chinnakonda S. and Figueiredo, Renan Tavares} } @article {48135, title = {Enhanced proton conductivity in amino acid based self-assembled non-porous hydrogen-bonded organic frameworks}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAY}, pages = {5972-5975}, type = {Article}, abstract = {
beta-Alaninium oxalate hemihydrate, glycinium oxalate, and L-leucinium oxalate salt-cocrystals as non-porous self-assembled hydrogen-bonded organic frameworks afforded proton conductivity of 2.43 x 10(-2) S cm(-1) (60 degrees C, 95\% RH), 3.03 x 10(-2) S cm(-1) (60 degrees C, 95\% RH), and 1.19 x 10(-2) S cm(-1) (80 degrees C, 95\% RH), respectively. These materials possess an extensive 3-dimensional network of hydrogen bonds in their crystal structures, making them efficient proton conducting membranes. The reduction in conductivity values over 10(-1) S cm(-1) order upon exposure of the samples to a D2O atmosphere in extreme conditions ratified the role of humidity for the conduction of protons. This work explores the relationship between structural features and proton conductivity for the design of proton conducting membranes that are easy to synthesize, eco-friendly, and cheap with potential for futuristic applications.
}, issn = {1359-7345}, doi = {10.1039/d2cc00948j}, author = {Pramanik, Titas and Anand, Ashish and Pandikassala, Ajmal and Illathvalappil, Rajith and Kurungot, Sreekumar and Row, T. N. Guru} } @article {48062, title = {Evaluating suitability of confined impinging jet reactor for exothermic reactions: hydrodynamics, residence time distribution, and heat transfer}, journal = {AICHE Journal}, volume = {68}, year = {2022}, month = {OCT}, pages = {e17792}, type = {Article}, abstract = {
Effect of confinement (wall proximity) of a confined impinging jet reactor (CIJR) on the flow field, residence time distribution and heat transfer are explored, through experiments and CFD simulations. Hydrodynamic characteristics are evaluated for different parameters namely confinement, impinging jet velocity, temperature gradient, and so on. For 2 mm confinement, highest values of dispersion number and overall heat transfer coefficient are observed due to interaction of turbulent eddies followed by the effect of reactor wall proximity. For the CIJR having confinements above 10 mm, jet velocity need to be greater than 3 m/s to achieve both, excellent mixing efficiency and high heat removal rate. Empirical correlations for Dispersion and Nusselt numbers as a function of Re-j and L/D are obtained, over a range of 500 \<= Rej \<= 3000\$\$ 500\textbackslashle {\textbackslashmathit{\textbackslashoperatorname{Re}}}_j\text backslashle 3000 \$\$ and 5 \<= L/D \<= 35\$\$ 5\textbackslashle L/D\textbackslashle 35 \$\$, which correspond to jet velocity of 0.5-3 m/s. The present study gives a basis for designing CIJR suitable for rapid, homogeneous, exothermic reactions.
}, keywords = {confinement, exothermic reactions, heat transfer, impinging jets, residence time distribution}, issn = {0001-1541}, doi = {10.1002/aic.17792}, author = {Khan, Muzammilanwar S. and Mane, Mayur and Kulkarni, Amol A.} } @article {48177, title = {Exploring the core microbiota in scented rice (Oryza sativa L.) rhizosphere through metagenomics approach}, journal = {Microbiological Research}, volume = {263}, year = {2022}, month = {OCT}, pages = {127157}, type = {Article}, abstract = {
Rice is a major food crop cultivated around the globe. Specially scented rice varieties are of commercial importance but they are low-yielding. The rhizospheric microflora plays a significant role in improving yield and aroma. However, the core microbiome of the scented rice rhizosphere is comparatively less explored. Here, we analyzed the core microbiome associated with the rhizosphere of the scented (Ambemohar-157 and Dehradun basmati) in comparison with non-scented rice (Kolam and Arize 6444 Gold) cultivated at two different geoclimatic zones of India (Maharashtra and Uttarakhand) using the metagenomics approach. The alpha and beta diversity analysis showed that the microbial communities associated with scented and non-scented varieties significantly changes with respect to richness, diversity, and evenness. The taxonomic profiling revealed the variation in composition, diversity, and abundance of the microbiome in terms of phyla and genera associated with scented rice varieties over non-scented. The cluster analysis distinguishes the microbial communities based on their geographical positions. The core microbiome analysis revealed that scented rice rhizosphere shelters distinct and unique microbiota. 28.6 \% of genera were exclusively present only in the scented rice rhizosphere. The putative functional gene annotation revealed the high abundance of genes related to the biosynthesis of 2-acetyl-1-pyrroline (2AP) precursors in scented rice. The precursor feeding analysis revealed proline as a preferred substrate by 2AP synthesizing bacteria. The 2AP precursor proline and proline metabolism genes showed a positive correlation. The scented rice-specific rhizobacteria pointed out in this study can be used as bioinoculants for enhancing aroma, yield, and sustainable rice cultivation.
}, keywords = {Metagenome, Microbial community, Microbiome, Oryza sativa, Rhizosphere, rice}, issn = {0944-5013}, doi = {10.1016/j.micres.2022.127157}, author = {Dhondge, V. Harshal and Barvkar, Vitthal T. and Paul, Dhiraj and Dastager, Syed G. and Pable, Anupama A. and Nadaf, Altafhusain B.} } @article {47897, title = {Exploring the structure and electronic properties of germanium doped boron clusters using density functional theory based global optimization method}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {MAR }, pages = {6244-6254}, type = {Article}, abstract = {
Density functional theory calculations in the framework of B3LYP, TPSS and M06-L were carried out to investigate the effect of single and double germanium atom doping on the geometric structure and electronic properties of boron clusters with 10 to 20 atoms. Global minima of GeBn and Ge2Bn (n = 10-20) were first obtained through Crystal Structure Analysis by the Particle Swarm Optimization method and then subsequently optimized using meta-generalized gradient approximation, hybrid and local functionals. It is found that the lowest energy structures of GeBn and Ge2Bn clusters exhibit planar, quasi-planar, semi-cage, bowl, and double ring topologies. Like BnSi clusters, the results reveal that the germanium atom prefers the peripheral regions of the B-n framework contrary to transition metal doped boron clusters. Furthermore, the calculated electronic properties such as the average binding energy and second order difference in binding energy indicate GeB20 and Ge2B16 to be the most stable clusters. Molecular orbital and adaptive natural density partitioning analyses were carried out to understand the extra stability of GeB20 and Ge2B16 clusters.
}, issn = {1144-0546}, doi = {10.1039/d2nj00227b}, author = {Anis, Insha and Dar, Mohd Saleem and Rather, Ghulam Mohammad and Dar, Manzoor Ahmad} } @article {47759, title = {Facile fabrication of nano silver phosphate on B-doped g-C3N4: an excellent p-n heterojunction photocatalyst towards water oxidation and Cr (VI) reduction}, journal = {Journal of Alloys and Compounds}, volume = {898}, year = {2022}, month = {MAR}, pages = {162853}, type = {Article}, abstract = {A photostable Ag3PO4/BCN type-II p-n heterojunction has been demonstrated by loading nano Ag3PO4 on B-doped g-C3N4 nanosheet (BCN). The photocatalysts were successfully characterized by various physicochemical techniques and their photocatalytic activities were tested towards the water oxidation reaction to produce oxygen and Cr (VI) reduction under visible light. The HRTEM confirms Ag3PO4 with a particle size of 15 nm has been deposited on BCN to construct a p-n heterojunction. The BCNS-50 absorbs more visible light in the solar spectrum as compared to other catalyst, demonstrating the ability to generate 587 mu mol h(-1)g(-1) O-2 and reduces 98\% of 20 ppm Cr (VI) solution in 1 h. The lower PL intensity as well as lower arc value in case of BCNS-50 suggests the maximum e-h separation and lower charge transfer resistance across the semiconductor/electrolyte interface. The BCN sheet provides a compact heterojunction where the oxidation peak of Ag3PO4 decreases gradually and disappear in case of BCNS-50 suggesting the enhance stability of Ag3PO4 in the heterojunction. BCNS-50 could able to produce -139 and 3087.5 mu A photocurrent both in cathodic and anodic direction which is approximately 7 and 2.4 folds higher as compared to nano Ag3PO4. The generation of photocurrent in both cathodic and anodic direction confirms the formation of p-n heterojunction which further supported by Mott-Schottky analysis. Furthermore the construction of the p-n heterojunction is verified via Mott-Schottky study. DFT calculation explains the contribution of various atomic orbital of Ag3PO4 and BCN towards the formation of hybrid orbital in the heterojunction and the path for charge delocalization between them. This work may provide a limelight and alternative pathway for enhanced photocatalytic performance on construction of the p-n heterojunction in a simple way. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Cr (VI) reduction, Density functional theory, Interfacial zone, p-n heterojunction, Photocatalyst, Water oxidation}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.162853}, author = {Sahoo, Mitarani and Babu, Pradeepta and Singh, Chandrodai Pratap and Krishnamurty, Sailaja and Parida, Kulamani} } @article {48077, title = {Facile, sustainable and unassisted plain water oxidation on Au/Ce0.9Ti0.1O2 nanorods in direct sunlight}, journal = {Journal of Chemical Sciences}, volume = {134}, year = {2022}, month = {JUN}, pages = {61}, type = {Article}, abstract = {
Impressive rate of solar water oxidation to molecular oxygen (O-2) has been demonstrated on nanorods (NRs) of Ce0.9Ti0.1O2 (CT-NR) and Au-deposited CT-NR (Au-CT-NR) photocatalysts with a sacrificial agent (Fe3+) and in plain water in one sun condition, direct sunlight and with lambda \>= 455 nm. Probably the highest 0 2 yield of 11 mmol/h.g was observed with Au-CT-NR thin film in plain water in direct sunlight, with no sacrificial agent or applied potential. Photoelectrochemical measurements demonstrate a marked reduction in oxidation onset potential of Au-CT-NR by 150 mV with stable photocurrent (0.75 mA/cm(2)), compared to CT-NR (0.23 mA/cm(2)), indicating the operative of plasmon-induced resonant energy transfer (PIRET) process. Effective electron quenching by nanogold and hence low recombination in the depletion region is a critical step for the observation of a high rate of oxygen evolution. In addition to this, a predominant change in the nature of the valence band from O-2p dominated on CeO2 to Ce-4f dominated with CT-NR (due to Ti4+ introduction in CeO2), the efficient light absorption of photocatalysts in thin-film form, functional and effective PIRET process, and facile E-F alignment, enhances the oxygen evolution with Au-CT-NR in direct sunlight and make it highly sustainable. A possible mechanism of water oxidation is proposed from the observed experimental findings.
}, keywords = {ceria, Electronic integration, Photocatalysis, thin film, water splitting}, issn = {0974-3626}, doi = {10.1007/s12039-022-02055-z}, author = {Dubey, Anjani and Mishra, Abhaya Kumar and Negi, Sanjay Singh and Gopinath, Chinnakonda S.} } @article {48147, title = {Facile synthesis of nanocomposites of CNF-Sn and C-Sn microspheres: Prospective field emitter}, journal = {Journal of Alloys and Compounds}, volume = {907}, year = {2022}, month = {JUN }, pages = {164318}, type = {Article}, abstract = {
We report synthesis of Carbon nanofibers (CNFs) and hybrid nanocomposites namely, CNF-Sn and C-Sn microspheres using simple electrospinning technique, followed by annealing in controlled atmosphere. The as-prepared materials were characterized using X-raydiffraction (XRD), Field emission scanning electron microscopy (FESEM), Transmission electron microscopy (TEM), Ultra-violet photoelectron spectroscopy (UPS), and Raman spectroscopy to reveal their physico-chemical properties. As carbon family members are potential materials for field emission (FE) based applications, owing to their high aspect ratio FE characteristics of the synthesized materials were explored at base pressure of 1 x 10(-8) mbar. Interestingly, the hybrid nanocomposite CNF-Sn and C-Sn emitters showed improved FE behavior (with the turn-on field of 3.4 and 1.36 V/mu m, respectively) in contrast to the pristine CNFs emitter (turn-on field of 5.4 V/mu m). Furthermore, the maximum emission current density is substantially enhanced, 7.75 and 4.6 mA/cm(2) for CNF-Sn and C-Sn emitters, respectively. The improvement in the FE behavior of nanocomposite emitters is attributed to the combined effect of morphology and modulation of electronic properties at the interface of nanocomposites. The results confirm that FE characteristics of pristine nanostructures can be greatly improved upon formation of their nanocomposites and this approach can be extended to other nanostructures for improving their multi-functionalities. (c) 2022 Elsevier B.V. All rights reserved.
}, keywords = {carbon nanofiber, electrospinning, field emission, Nanocomposite, Tin}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2022.164318}, author = {Badadhe, Satish S. and Yadav, Poonam and Suryawanshi, Sachin and More, Mahendra A.} } @article {48050, title = {Facile synthesis of the spiro-pyridoindolone scaffold via a gold-catalysed intramolecular alkynol cyclisation/hydroindolylation}, journal = {Organic \& Biomolecular Chemistry}, volume = {20}, year = {2022}, month = {MAR}, pages = {d1ob02483c}, type = {Article}, abstract = {
A simple approach for the synthesis of pyridoindolone scaffolds with a spiroannulated tetrahydrofuran ring is described. The overall process comprises intramolecular sequential gold-catalysed 5-endo-dig alkynol cycloisomerization and subsequent addition of indole C2 to the in situ generated oxocarbenium cation.
}, issn = {1477-0520}, doi = {10.1039/d1ob02483c}, author = {Shinde, Mahesh H. and Ramana, V. Chepuri} } @article {47062, title = {First synthesis of podocarflavone A and its analogs and evaluation of their antimycobacterial potential against mycobacterium tuberculosis with the support of virtual screening}, journal = {Natural Product Research}, volume = {36}, year = {2022}, month = {AUG}, pages = {3879-3886}, type = {Article}, abstract = {
The first synthetic route developed for Podocarflavone A reported from Podocarpus macrophyllus and its analogs in 7 steps. Computational analysis for binding with the pantothenate kinase (3AVO) of Mycobacterium tuberculosis showed their docking score (ds) in the range of -8.9 to -9.3 Kcal/mol. MD simulations delineated the stability of the protein-ligand complexes in the TIP3P model. MMGBSA and MMPBSA values of 8d were -42.46 Kcal/mol and -14.58 Kcal/mol, respectively. Further in-vitro antitubercular screening of compounds 8a, 8d, and 8e against M. tuberculosis H37Ra using XRMA protocol exhibited promising antimycobacterial activity with IC50 values 21.82 mu g/mL, 15.55 mu g/mL, and 16.56 mu g/mL, respectively. Compounds 8a, 8d, and 8e showed antibacterial activity with IC50 values 41.56 mu g/mL, 24.72 mu g/mL, and 72.45 mu g/mL respectively against the Staphylococcus aureus. 8a and 8d showed inhibition with IC50 values 39.6 mu g/mL and 27.64 mu g/mL, respectively, against Bacillus subtilis. The present study could help in the further development of lead molecules against tuberculosis.
}, keywords = {and MMGBSA, antimycobacterial activity, docking, MD simulations, MMPBSA, Podocarflavone A synthesis}, issn = {1478-6419}, doi = {10.1080/14786419.2021.1893317}, author = {Puranik, Ninad V. and Swami, Sagar and Misar, Ashwini V. and Mamgain, Ritu and Gulawani, Swapnaja S. and Dhiman, Sarkar and Srivastava, Pratibha} } @article {48391, title = {First-principles investigation of the electrocatalytic reduction of CO2 on zirconium-based single-, double-, and triple-atom catalysts anchored on a graphitic carbon nitride monolayer}, journal = {ACS Applied Nano Materials}, volume = {5}, year = {2022}, month = {OCT}, pages = {15409-15417}, type = {Article}, abstract = {
Conversion of carbon dioxide (CO2) with the help of an appropriate electrocatalyst with high stability, low onset potential, and exceptional selectivity is still one of the great tasks in the electrocatalytic reduction of CO2 to valuable chemicals. Herein, by means of systematic first-principles simulations, we investigate the CO2 reduction reaction (CO2RR) activity of zirconium-based single-, double-, and triple-atom (Zrn@C2N; n = 1-3) catalysts anchored on a graphitic carbon-nitride monolayer. In tune with the Sabatier principle, our results reveal that a moderate CO2 binding is vital for a low onset potential for the CO2RR. Consequently, based on rigorous free energy calculations, the Zr-based single-atom catalyst (SAC) is found to be most effective to convert CO2 to valuable products such as HCOOH and CH3OH. It is worth noting that CO2 reduction to HCOOH is spontaneous via the *HCOO intermediate on Zr1@C2N and involves a low onset potential of -0.23 V with respect to the reversible hydrogen electrode from the *COOH intermediate. Among all the catalysts evaluated computationally, the Zr SAC further reveals the lowest onset potential of -0.89 V for CH3OH formation. The results show that the Zr-based catalysts especially Zr1@C2N are found to effectively suppress the competitive hydrogen evolution reaction and promote the CO2RR. Moreover, all three catalysts exhibit high kinetic and thermal stability with negligible distortion due to which their structures can be retained very well up to 600 K. Thus, the current work may provide effective catalyst-design strategies for enhancing the electrocatalytic CO2RR performance of Zr-based materials.
}, keywords = {C1 and C2 products, CO2 reduction, first-principles simulations, hydrogen evolution reaction, onset potential, single-atom catalysts (SACs), Zrn@C2N catalysts}, doi = {10.1021/acsanm.2c03464}, author = {Hassan, Afshana and Anis, Insha and Shafi, Sadaf and Assad, Assif and Rasool, Anjumun and Khanam, Romana and Bhat, Gulzar Ahmad and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {48215, title = {First-row transition metal complexes of a phosphine-silylene- based hybrid ligand}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {AUG}, pages = {13330-13341}, type = {Article}, abstract = {
We have prepared two new silylene-phosphine-based hybrid ligands Si{N(R)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)} [R = TMS {trimethylsilyl} (1) and TBDMS {tert-butyldimethylsilyl} (2)], which possess two donor sites. Furthermore, the treatment of the bidentate ligand 1 with base metal halides {FeBr2, CoBr2, NiCl(2)middotdme [nickel chloride(II) ethylene glycol dimethyl ether]} and 2 with NiBr(2)middotdme [nickel bromide(II) ethylene glycol dimethyl ether] afforded four-coordinate six-membered metal complexes 3-6, respectively, which feature coordination from both Si(II) and P(III) sites. Subsequently, complexes 3 [(FeBr2)Si{N(SiMe3)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)}], 4 [(CoBr2)Si{N(SiMe3)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)}], 5 [(NiCl2)Si{N(SiMe3)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)}], and 6 [(NiBr2)Si{N((SiBuMe2)-Bu-t)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)}] are studied for their redox and magnetic properties with the help of UV-vis spectroscopy, cyclic voltammetry, SQUID magnetometry, and theoretical calculations. Complexes 3-6 were found to display a paramagnetic behavior. All the compounds are well established by single-crystal X-ray diffraction studies.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c01233}, author = {Akhtar, Ruksana and Kaulage, Sandeep H. and Sangole, Mayur P. and Tothadi, Srinu and Parvathy, Parameswaran and Parameswaran, Pattiyil and Singh, Kirandeep and Khan, Shabana} } @article {48382, title = {Flexible ultracapacitor device fabricated with an organic electrode material- naphthalene diimide nitrile/reduced graphene oxide}, journal = {Journal of Energy Storage}, volume = {56}, year = {2022}, month = {DEC}, pages = {106036}, type = {Article}, abstract = {
In this work, we have demonstrated a high-performance flexible supercapacitor electrode based on reduced graphene oxide (rGO) and naphthalene diimide nitrile (NDI-CN) composite. The rGO/NDI-CN composite was prepared by a simple approach. This composite was well characterized using various techniques such as scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) etc. Besides, the pi -pi stacking of NDI-CN on rGO surface was confirmed using UV-vis and FTIR techniques. As fabricated rGO/NDI-CN composite was examined as an electrode material for the supercapacitor applications. The rGO/NDI-CN electrode has delivered an excellent specific capacitance (C-sp) of 336 F g(-1) at 0.5 A g(-1)current density. The fabricated supercapacitor (SC) displays robustness with 80 \% capacitance retention over 10,000 cycles at higher current density of 10 A g(-1). To further explore the real-world application of electrode materials, the corresponding flexible supercapacitor was designed and examined. The flexible device exhibited an energy density of 9.54 mu Wh cm(-2) at a power density of 0.3 mWcm(-2). These results confirmed that the rGO/NDI-CN electrode material has good potential as an energy storage device. Furthermore, the facile construction and fabrication of flexible device displayed operation of LED when fully charged. The assembled flexible supercapacitor device could be bent and twisted, signifying the potential to be used in practical applications in various high-performance electrochemical devices.
}, keywords = {flexible supercapacitor, Naphthalene diimide, Organic molecule electrodes, pi -pi interaction, rGO}, issn = {2352-152X}, doi = {10.1016/j.est.2022.106036}, author = {Deshmukh, Ashvini B. and Biradar, Madan R. and Pawar, Meenakshi D. and Bhosale, Sidhanath V. and Shelke, Manjusha V.} } @article {48377, title = {Flow of lubricated granular material on an inclined plane}, journal = {Powder Technology}, volume = {409}, year = {2022}, month = {SEP}, pages = {117809}, type = {Article}, abstract = {
We have studied the gravity driven flow of spherical shaped, millimetric sized granular material coated with aspherical, micron-sized, near frictionless lubricant particles. Experiments were performed on an inclined plane using two different sized particles for varying concentrations of the lubricant. The particle volumetric flow rate exhibits a non-monotonic behavior with increasing lubricant concentration. It shows an increase at lower lubricant concentration followed by a decrease at higher lubricant concentration. The lubricant particles adhere to the granular particle surface thereby reducing the inter-particle friction. However, presence of lubricant particles at higher concentration damps out inter-particle collision thereby reducing the inter-particle momentum transfer. Non-monotonicity in the observed behavior is then conjectured to arise due to competing effects of inter-particle friction and inter-particle collision. The present work and the overall observed behavior therein provides a simple experimental system to characterize the effects of added lubricant material in pharmaceutical and other relevant industrial applications.
}, keywords = {Friction, granular, Inclined plane, Lubrication, Powder}, issn = {0032-5910}, doi = {10.1016/j.powtec.2022.117809}, author = {Ghodake, Ravindra S. and Doshi, Pankaj and Orpe, V. Ashish} } @article {47801, title = {Flow visualization by Matlab{\textregistered} based image analysis of high-speed polymer melt extrusion film casting process for determining necking defect and quantifying surface velocity profiles}, journal = {Advanced Industrial and Engineering Polymer Research}, volume = {5}, year = {2022}, month = {JAN}, pages = {1-11}, type = {Article}, abstract = {The primary objective of this research paper is to detect and quantify the necking defect and surface velocity profiles in high-speed polymer melt extrusion film casting (EFC) process using Matlab{\textregistered} based image processing techniques. Extrusion film casting is an industrially important manufacturing process and is used on an industrial scale to produce thousands of kilograms of polymer films/sheets and coated products. In this research, the necking defect in an EFC process has been studied experimentally and the effects of macromolecular architecture such as long chain branching (LCB) on the extent of necking have been determined using image processing methodology. The methodology is based on the analysis of a sequence of image frames taken with the help of a commercial CCD camera over a specific target area of the EFC process. The image sequence is then analyzed using Matlab{\textregistered} based image processing toolbox wherein a customized algorithm is written and executed to determine the edges of the extruded molten polymeric film to quantify the necking defect. Alongwith the necking defect, particle tracking velocimetry (PTV) technique is also used in conjunction with the Matlab{\textregistered} software to determine the centerline and transverse velocity profiles in the extruded molten film. It is concluded from this study that image processing techniques provide valuable insights into quantifying both the necking defect and the associated velocity profiles in the molten extruded film.}, keywords = {Edge detection, Extrusion, Film, image analysis, Necking, Velocity measurement}, issn = {2542-5048}, doi = {10.1016/j.aiepr.2021.02.003}, author = {Aarati Vagga and Swapnil Aherrao and Harshawardhan Pol and Vivek Borkar} } @article {48185, title = {Fluorobenzoic acid coformers to improve the solubility and permeability of the BCS class IV drug naftopidil}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAY }, pages = {5582-5585}, type = {Article}, abstract = {
Crystalline salts of the low solubility and low permeability drug naftopidil were investigated with mono-, di-, tri-, and tetrafluorobenzoic acids as coformers to show that 245TFBA (2,4,5-trifluorobenzoic acid) is the optimal salt with faster dissolution and high permeability, thereby opening the study of fluorinated coformers in pharmaceutical cocrystals and salts.
}, issn = {1359-7345}, doi = {10.1039/d1cc07187d}, author = {Mannava, M. K. Chaitanya and Bommaka, Manish K. and Dandela, Rambabu and Solomon, K. Anand and Nangia, Ashwini K.} } @article {48366, title = {Formation of the secondary phase domain by multi-cation substitution for the superior electrochemical performance of spinel cathodes for high-voltage li-ion batteries}, journal = {ACS Applied Energy Materials}, volume = {5}, year = {2022}, month = {DEC}, pages = {15345-15355}, type = {Article}, abstract = {
{Disorder-structured spinel oxides are opening frontiers for high-capacity/high-voltage cathodes to meet the challenges of independ-ence on cobalt-containing cathodes toward cheap and sustainable energy storage sources in Li-ion batteries (LIBs). In the present work, a series of Co-free materials: LiMn2-x-y-zNixFeyAlzO4 (x = 0.8-0.5
}, keywords = {5Ni0, cation-doped spinel cathode material, cobalt-free cathode, disorder structured spinel cathode material, high-voltage cathode, li-ion batteries, LiMn1}, issn = {2574-0962}, doi = {10.1021/acsaem.2c02667}, author = {Nayaka, Girish Praveen and Shivamurthy, Bogalera Papaiah and Thripuranthaka, Marulasiddappa and Shelke, V. Manjusha.} } @article {48064, title = {Formation of zircon-type DyCrO4 and its magnetic properties}, journal = {Ceramics International}, volume = {48}, year = {2022}, month = {SEP}, pages = {24666-24676}, type = {Article}, abstract = {
The formation mechanism of hydrolytic sol-gel synthesized DyCrO4 with a complexing agent in acidic and basic mediums is thoroughly studied. The role of complexing agents and pH on phase formation temperature is also intensively investigated. The formation temperature for DyCrO4 is similar to 500 degrees C in the absence and presence of complexing agents such as oxalic acid and ethylenediaminetetraacetic acid (EDTA) at pH 10. When critic acid is used, the DyCrO4 forms with Cr2O3 impurity. The crystallite size in the presence of a complexing agent in the basic medium is similar to 55 nm which is small as compared to only ammonia solution. The various reaction modes lead to tetragonal zircon-type DyCrO4 at similar to 500 degrees C, transforming into orthorhombic perovskite DyCrO3 at 800 degrees C. The magnetization curve shows the ferromagnetic behavior of DyCrO4 below transition temperature T-c similar to 21 K. This low T-c makes nanocrystalline DyCrO4 a potential material for cryogenic applications.
}, keywords = {Complexing agent, DyCrO4, Formation mechanism, Hydrolytic sol-gel method, pH}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2022.05.113}, author = {Ughade, Supriya and Joshi, Bhavana and Poddar, Pankaj} } @article {48107, title = {Free base phthalocyanine coating as a superior corrosion inhibitor for copper surfaces: a combined experimental and theoretical study}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {648}, year = {2022}, month = {SEP }, pages = {129138}, type = {Article}, abstract = {
In the quest of novel, eco-benign copper corrosion inhibitors, free base and a set of six metal Phthalocyanine (Pc) coatings (where metal is Zn, Cu, Fe, Co, Ni, Mn) are systematically evaluated for their corrosion inhibition efficiency. The study demonstrates that the free base Phthalocyanine coatings are superior corrosion inhibitors for Cu surface in HCl with a corrosion inhibition efficiency of 88\% as compared to its metal counterparts. A detailed and indepth study involving concerted electrochemical polarisation, impedance measurements at various concentrations of HCl assert the superior corrosion inhibition efficiency of free base Pc coatings as compared to its metal counterparts. Underlying factors/interface chemistry contributing to it is brought out using first principle based studies. First principles based computational studies establish that superior corrosion inhibition ability of free base phthalocyanine molecule is attributed to its innate binding ability with copper surface and its better inter-molecular packing. Thus, the theoretical adsorption trends of various studied phthalocyanine molecules while clearly following the experimental corrosion inhibition efficiency trends undermine the importance of contribution of chelating factors for the formation of a stable and efficient corrosion inhibition coating on a surface and that the adhesion/adsorption strength of a molecule correlates directly to its corrosion inhibition efficiency. The experimental observations are further substantiated through FE-SEM, EDAX and XPS studies. The corrosion inhibition efficiency of free base phthalocyanine is followed by its zinc based counterpart at 85\%.
}, keywords = {Copper surface, Corrosion inhibitors, DFT studies, Impedance, Phthalocyanine coatings}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2022.129138}, author = {Samal, Pragnya Paramita and Dekshinamoorthy, Amuthan and Arunachalam, Shivakami and Vijayaraghavan, Saranyan and Krishnamurty, Sailaja} } @article {48129, title = {From {\textquoteleft}{\textquoteleft}Cosmic Cooking{\textquoteright}{\textquoteright} to chemistry of the future: a collective dialogue on chemistry as a tribute to Prof. Sourav Pal.}, journal = {Frontiers in Chemistry}, volume = {10}, year = {2022}, month = {APR}, pages = {908165}, type = {Editorial Material}, keywords = {cosmic cooking, coupled cluster and density functional calculations, dialogue on chemistry, pincers porphyrinoids and oxometalates, small molecule activation, Theoretical chemistry}, issn = {2296-2646}, doi = {10.3389/fchem.2022.908165}, author = {Roy, Soumyajit and Krishnamurty, Sailaja and Schoefberger, Wolfgang} } @article {48036, title = {From molecular adsorption to decomposition of methanol on various ZnO facets: a periodic DFT study}, journal = {Applied Surface Science}, volume = {602}, year = {2022}, month = {NOV}, pages = {154150}, type = {Article}, abstract = {
Methanol is an interesting and important molecule to study because of its potential to replace existing fuels. It is also a prominent hydrogen source which can be used to generate hydrogen in-situ. ZnO is widely used as catalyst in synthesis of methanol from CO2 at industrial scale. In this work, we demonstrate that the same catalyst could be used for MeOH decomposition. We have investigated interaction of methanol with various flat and stepped facets of ZnO by employing Density Functional Theory (DFT). Two flat [(10(1)overbar 0) and (11(2)overbar 0)] and two stepped [(10(1)overbar 3) and (11(2)overbar 2)] facets are studied in detail for methanol adsorption. Chemisorption of MeOH with varying strength is common to all four facets. Most importantly spontaneous dissociation of O-H bond of methanol is observed on all facets except (11(2)overbar 0). Our DFT calculations reveal that molecular adsorption is favored on flat facets, while dissociation is favored on step facets. Also, (10(1)overbar 0) facet undergoes substantial reconstruction upon MeOH adsorption. Activation of C-H bond along with strengthening of C-O bond on ZnO facets suggest partial oxidation of methanol. With our DFT investigations, we dig deeper into the underlying electronic structure of various facets of ZnO and provide rationale for the observed facet dependent interaction of ZnO with MeOH.
}, keywords = {DFT, MeOH, Surface interactions, ZnO}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2022.154150}, author = {Mehta, Shweta and Joshi, Kavita} } @article {48164, title = {Functional diversity of the lepidopteran ATP-binding cassette transporters}, journal = {Journal of Molecular Evolution}, volume = {90}, year = {2022}, month = {AUG}, pages = {258-270}, type = {Review}, abstract = {
The ATP-binding cassette (ABC) transporter gene family is ubiquitous in the living world. ABC proteins bind and hydrolyze ATP to transport a myriad of molecules across various lipid-containing membrane systems. They have been studied well in plants for transport of a variety of compounds and particularly, in vertebrates due to their direct involvement in resistance mechanisms against several toxic molecules/metabolites. ABC transporters in insects are found within large multigene families involved in the efflux of chemical insecticides and toxic/undesired metabolites originating from food and endogenous metabolism. This review deals with ABC transporter subfamilies of few agronomically important Lepidopteran pests. The transcriptional dynamics and regulation of ABC transporters during insect development emphasizes their functional diversity against insecticides, Cry toxins, and plant specialized metabolites. To generate insights about molecular function and physiological roles of ABCs, functional and structural characterization is necessary. Also, expansion and divergence of ABC transporter gene subfamilies in Lepidopteran insects needs more systematic investigation. We anticipate that newer methods of insect control in agriculture can benefit from an understanding of ABC transporter interactions with a vast range of natural specialized molecules and synthetic compounds.
}, keywords = {ABC transporters, Bt, insecticide resistance, Lepidoptera, Plant metabolites}, issn = {0022-2844}, doi = {10.1007/s00239-022-10056-2}, author = {Barve, Pranoti R. and Tellis, Meenakshi B. and Barvkar, Vitthal T. and Joshi, Rakesh S. and Giri, Ashok P. and Kotkar, Hemlata M.} } @article {48401, title = {Glance at the chemodiversity of Ocimum species: Trends, implications, and strategies for the quality and yield improvement of essential oil}, journal = {Phytochemistry Reviews}, volume = {21}, year = {2022}, month = {JUN}, pages = {879-913}, type = {Review}, abstract = {
Ocimum species represent commercially important medicinal and aromatic plants. The essential oil biosynthesized by Ocimum species is enriched with specialized metabolites specifically, terpenoids and phenylpropanoids. Interestingly, various Ocimum species are known to exhibit diverse chemical profiles, and this chemical diversity has been at the center of many studies to identify commercially important chemotypes. Here, we present various chemotypes from the Ocimum species and emphasize trends, implications, and strategies for the quality and yield improvement of essential oil. Globally, many Ocimum species have been analyzed for their essential oil composition in over 50 countries. Asia represents the highest number of chemotypes, followed by Africa, South America, and Europe. Ocimum basilicum L. has been the most widespread and well-studied species, followed by O. gratissimum L., O. tenuiflorum L., O. canum Sims, O. americanum and O. kilimandscharicum Gurke. Moreover, various molecular reasons, benefits, adverse health effects and mechanisms behind this vast chemodiversity have been discussed. Different strategies of plant breeding, metabolic engineering, transgenic, and tissue-culture, along with anatomical modifications, are surveyed to enhance specific chemotypic profiles and essential oil yield in numerous Ocimum species. Consequently, chemical characterization of the essential oil obtained from Ocimum species has become indispensable for its proper utilization. The present chemodiversity knowledge from Ocimum species will help to exploit various applications in the industrial, agriculture, biopharmaceutical, and food sectors.
}, keywords = {Chemodiversity, Chemotype, Essential oil, Metabolic engineering, Ocimum, Specialized metabolites}, issn = {1568-7767}, doi = {10.1007/s11101-021-09767-z}, author = {Gurav, Tanuja P. and Dholakia, Bhushan B. and Giri, Ashok P.} } @article {48073, title = {Glycal mediated synthesis of piperidine alkaloids: fagomine, 4-epi-fagomine, 2-deoxynojirimycin, and an advanced intermediate, iminoglycal}, journal = {RSC Advances}, volume = {12}, year = {2022}, month = {NOV}, pages = {33021-33031}, type = {Article}, abstract = {
Glucal and galactal are transformed into 2-deoxyglycolactams, which are important building blocks in the synthesis of biologically active piperidine alkaloids, fagomine and 4-epi-fagomine. In one of the strategies, reduction of 2-deoxyglycolactam-N-Boc carbonyl by lithium triethylborohydride (Super-Hydride (R)) has been exploited to generate lactamol whereas reduction followed by dehydration was utilized as the other strategy to functionalize the C-1-C-2 bond in the iminosugar substrate. The strategies provide the formal synthesis of 2-deoxynojirimycin, nojirimycin and nojirimycin B. DFT studies were carried out to determine the reason for the failure of the formation of the 2-deoxygalactonojirimycin derivative. Further, DFT studies suggest that phenyl moieties of protecting groups and lone pairs of oxygen in carbamate group plays a vital role in deciphering the conformational space of the reaction intermediates and transition-state structures through cation-pi or cation-lone pair interactions. The influence of these interactions is more pronounced at low temperature when the entropy factor is small.
}, doi = {10.1039/d2ra05224e}, author = {Chand, Hemender R. and Tiwari, Mritunjay K. and Bhattacharya, Asish K.} } @article {48361, title = {G-protein coupled purinergic P2Y12 receptor interacts and internalizes Tau(RD)-mediated by membrane-associated actin cytoskeleton remodeling in microglia}, journal = {European Journal of Cell Biology}, volume = {101}, year = {2022}, month = {APR}, pages = {151201}, type = {Article}, abstract = {
In Alzheimer{\textquoteright}s disease, the microtubule-associated protein, Tau misfolds to form aggregates and filaments in the intra- and extracellular region of neuronal cells. Microglial cells are the resident brain macrophage cells involved in constant surveillance and activated by the extracellular deposits. Purinergic receptors are involved in the chemotactic migration of microglial cells towards the site of inflammation. From our recent study, we have observed that the microglial P2Y12 receptor is involved in phagocytosis of full-length Tau species such as monomers, oligomers and aggregates by actin-driven chemotaxis. This study shows the interaction of repeat-domain of Tau (Tau(RD)) with the microglial P2Y12 receptor and the corresponding residues for interaction have been analysed by various in-silico approaches. In the cellular studies, Tau(RD) was found to interact with microglial P2Y12R and induces its cellular expression confirmed by co-immunoprecipitation and western blot analysis. Furthermore, the P2Y12R-mediated Tau(RD) internalization has demonstrated activation of microglia with an increase in the Iba1 level, and Tau(RD) becomes accumulated at the peri-nuclear region for the degradation. Similarly, immunofluorescence microscopic studies emphasized that Tau(RD) is phagocytosed by microglial P2Y12R via the membrane-associated actin remodeling as filopodia extension. Upon internalization, we have demonstrated the P2Y12R signaling-mediated degradation of accumulated Tau(RD) by lysosomal pathway. Altogether, microglial P2Y12R interacts with Tau(RD) and mediates directed migration and activation for its internalization and degradation.
}, keywords = {Alzheimer{\textquoteright}s disease, Internalization, microglia, P2Y12R, Phagocytosis, Tau(RD)}, issn = {0171-9335}, doi = {10.1016/j.ejcb.2022.151201}, author = {Chidambaram, Hariharakrishnan and Das, Rashmi and Chinnathambi, Subashchandrabose} } @article {47803, title = {G-protein coupled purinergic P2Y12 receptor interacts and internalizes TauRD-mediated by membrane-associated actin cytoskeleton remodeling in microglia}, journal = {European Journal of Cell Biology}, volume = {101}, year = {2022}, month = {APR}, pages = {151201}, type = {Article}, abstract = {In Alzheimer{\textquoteright}s disease, the microtubule-associated protein, Tau misfolds to form aggregates and filaments in the intra- and extracellular region of neuronal cells. Microglial cells are the resident brain macrophage cells involved in constant surveillance and activated by the extracellular deposits. Purinergic receptors are involved in the chemotactic migration of microglial cells towards the site of inflammation. From our recent study, we have observed that the microglial P2Y12 receptor is involved in phagocytosis of full-length Tau species such as monomers, oligomers and aggregates by actin-driven chemotaxis. This study shows the interaction of repeat-domain of Tau (TauRD) with the microglial P2Y12 receptor and the corresponding residues for interaction have been analysed by various in-silico approaches. In the cellular studies, TauRD was found to interact with microglial P2Y12R and induces its cellular expression confirmed by co-immunoprecipitation and western blot analysis. Furthermore, the P2Y12R-mediated TauRD internalization has demonstrated activation of microglia with an increase in the Iba1 level, and TauRD becomes accumulated at the peri-nuclear region for the degradation. Similarly, immunofluorescence microscopic studies emphasized that TauRD is phagocytosed by microglial P2Y12R via the membrane-associated actin remodeling as filopodia extension. Upon internalization, we have demonstrated the P2Y12R signaling-mediated degradation of accumulated TauRD by lysosomal pathway. Altogether, microglial P2Y12R interacts with TauRD and mediates directed migration and activation for its internalization and degradation.}, keywords = {Alzheimer{\textquoteright}s disease, Internalization, microglia, P2Y12R, Phagocytosis, Tau}, issn = {0171-9335}, doi = {https://doi.org/10.1016/j.ejcb.2022.151201}, url = {https://www.sciencedirect.com/science/article/pii/S0171933522000048}, author = {Chidambaram, Hariharakrishnan and Das, Rashmi and Chinnathambi, Subashchandrabose} } @article {48363, title = {Graphical Biology Insights into the dynamic interactions at chemokine-receptor interfaces and mechanistic models of chemokine binding}, journal = {Journal of Structural Biology}, volume = {214}, year = {2022}, month = {SEP}, pages = {107877}, type = {Article}, abstract = {
Chemokine receptors are the central signaling hubs of several processes such as cell migration, chemotaxis and cell positioning. In this graphical review, we provide an overview of the structural and mechanistic principles governing chemokine recognition that are currently emerging. Structural models of chemokine-receptor cocomplexes with endogenous chemokines, viral chemokines and therapeutics have been resolved that highlight multiple interaction sites, termed as CRS1, CRS1.5 etc. The first site of interaction has been shown to be the Nterminal domain of the receptors (CRS1 site). A large structural flexibility of the N-terminal domain has been reported that was supported by both experimental and simulation studies. Upon chemokine binding, the Nterminal domain appears to show constricted dynamics and opens up to interact with the chemokine via a large interface. The subsequent sites such as CRS1.5 and CRS2 sites have been structurally well resolved although differences arise such as the localization of the N-terminus of the ligand to a major or minor pocket of the orthosteric binding site. Several computational studies have highlighted the dynamic protein-protein interface at the CRS1 site that seemingly appears to resolve the differences in NMR and mutagenesis studies. Interestingly, the differential dynamics at the CRS1 site suggests a mixed model of binding with complex signatures of both conformational selection and induced fit models. Integrative experimental and computational approaches could help unravel the structural basis of promiscuity and specificity in chemokine-receptor binding and open up new avenues of therapeutic design.
}, keywords = {Chemokine receptors, GPCRs, Intrinsically disordered protein domains, protein-protein interactions}, issn = {1047-8477}, doi = {10.1016/j.jsb.2022.107877}, author = {Sonawani, Archana and Kharche, Shalmali and Dasgupta, Debjani and Sengupta, Durba} } @article {48076, title = {Green synthesis of cyclohexanone to adipic acid over Fe-W oxides incorporated mesoporous carbon support}, journal = {Catalysis Communications}, volume = {168}, year = {2022}, month = {AUG}, pages = {106466}, type = {Article}, abstract = {
We have prepared iron and tungsten oxides incorporated mesoporous carbon (MC) catalysts using a simple hydrothermal methodology with different carbon sources, and the catalytic performance was investigated for cyclohexanone oxidation. An adequate amount of metal oxide loading has displayed a key role in the selective catalyst for adipic acid (AA) synthesis. The MC catalyst has shown its prime activity under the influence of redox properties of W5+/W6+ and Fe2+/Fe3+ as promoters. The 10\%Fe 90\%W-MC fructose as a carbon source catalyst has provided its best selectivity of 87\% for AA at 120 ?C.
}, keywords = {Adipic Acid, Liquid phase oxidation, mesoporous carbon, Redox center}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106466}, author = {Mekala, Siva Prasad and Prabu, Marimuthu and Gawali, Sheetal Datta and Gopakumar, Karthik and Gogoi, Pranjal and Bhatkar, Akash Ravindra and Mohapatra, Gourab and Unnikrishanan, Eeswar and Raja, Thirumalaiswamy} } @article {47988, title = {Green synthesis of highly dispersed Cu metal nanoparticles catalysts}, journal = {Inorganic Chemistry Communications}, volume = {146}, year = {2022}, month = {DEC}, pages = {110118}, type = {Article}, abstract = {
Bionanotechnology approach for metal nanoparticles (NPs) synthesis is cost-effective and environmentally friendly. Organic molecules present in plant extracts can be efficiently utilized for bio-reduction of metal ions into metal NPs in a one-step green synthesis methodology. The biosynthesis procedure for metal NPs synthesis is quick, easy to scale up and can be perform at ambient conditions. The present investigations propose the biosynthesis of highly dispersed and stable copper NPs (Cu NPs) supported on NaY zeolite using plant extract of Tinospora cordifolia and Andrographis paniculata for the first time. The structural and morphological attributes of Cu NPs were explored by adopting various physico-chemical techniques, for example Inductively Coupled Plasma-Optical Emission Spectrometry (ICP-OES), X-ray diffraction (XRD), Temperature Programmed Desorption (CO2-TPD and NH3-TPD), Temperature Programmed Reduction (H2-TPR), N2 sorption, Electron Microscopy (SEM, TEM and HR-TEM), X-ray Photoelectron Spectroscopy (XPS), etc. The experimental study (XRD, SEM, TEM, and HR-TEM) recommend that the green synthesis method by using plant extract has promising effect for the synthesis of nano-sized, stable and homogeneously dispersed Cu NPs catalysts (Cu NPs average size of 1.6 and 1.8 nm) as compared to chemical synthesis approach. The present result is better than those of many state-ofthe art techniques reported for green synthesis of Cu NPs using plant extract. According to the current study, it is advantageous to prepare highly dispersed metal NPs with desired size, shape, morphology and the required properties by using plant extract.
}, keywords = {Biosynthesis of nanomaterials, Cu nanoparticles, Heterogeneous catalysts, Support -Metal interaction, Zeolite supported catalysts}, issn = {1387-7003}, doi = {10.1016/j.inoche.2022.110118}, author = {Nagpure, Atul S. and Mohture, Vikas M. and Kayarkar, Ankush} } @article {48395, title = {Green synthesis-mediated iron oxide nanoparticles using sphagneticola trilobata (L.) for antibacterial and anticancer assessment}, journal = {Pharmacognosy Magazine}, volume = {18}, year = {2022}, month = {OCT-DEC}, pages = {953-961}, type = {Article}, abstract = {
Background: Green chemistry is widely accepted phenomenon to synthesize iron oxide nanoparticles (Fe-NPs) used in several biomedical and technological applications. Metal oxide nanoparticles are useful in biomedical, clearing environmental pollutants, enzyme immobilization, etc., Objectives: The synthesis of Fe-NPs using Sphagneticola trilobata leaf extract using ferric chloride solution and its biological assessment. Materials and Methods: The present study involved the synthesis of Fe-NPs using S. trilobata leaf extract using ferric chloride solution by the co-precipitation method. The synthesized nanoparticles were characterized for Fourier-transform infrared spectroscopy, scanning electron microscopy, powder X-ray diffraction spectroscopy, particle size analysis, and magnetization studies. The nanoparticles were biologically evaluated for microbiological, antioxidant, and in vitro cytotoxicity activity. Results: Magnetic nanoparticles were appeared in dark brown color. The change in color might result due to the presence of polyphenols in S. trilobata leaf extract. The characterization studies confirmed morphology, shape, and size of the nanoparticles. The mean diameter of Fe-NPs and S. trilobata-Fe-NPs was found to be 42.2 +/- 2.6 and 62.54 +/- 2.01 nm, respectively. Magnetization studies of nanoparticles revealed ferromagnetic behavior with the saturation magnetization at 57 emugm(-1). S. trilobata-Fe-NPs showed significant antibacterial action against Staphylococcus aureus and Bacillus subtilis by the well-diffusion method. Antioxidant activity of S. trilobata-Fe-NPs exhibited 65.78\% inhibition in comparison with ascorbic acid. The cytotoxicity assay of S. trilobata-Fe-NPs on HCT-15 colon adenocarcinoma cells showed significant anticancer activity (56.44\%) cytotoxic inhibition. Conclusion: Green synthesis-mediated S. trilobata-Fe-NPs appeared to produce significant antimicrobial and anticancer potential.
}, keywords = {Elemental analysis, field emission scanning electron microscopy, green synthesis, iron oxide nanoparticles, Sphagneticola trilobata, X-ray diffraction}, issn = {0973-1296}, doi = {10.4103/pm.pm_356_21}, author = {Dhavale, Rakesh Pandit and Patil, Swapnil Sanjay and Jadhav, Sagar Ujwal and Dhavale, Rushikesh Pandit and Agawane, Sachin Bharat} } @article {48099, title = {Green transformation of CO2 to ethanol using water and sunlight by the combined effect of naturally abundant red phosphorus and Bi2MoO6}, journal = {Energy \& Environmental Science}, volume = {15}, year = {2022}, month = {MAY }, pages = {1967-1976}, type = {Article}, abstract = {
Direct photocatalytic conversion of CO2 to ethanol remains a scientific challenge because of the sluggish kinetics of C-C coupling and complex multielectron transfer processes. To achieve a green transformation of CO2 to C1+ products using naturally abundant sunlight and water requires the smart design of an efficient catalyst by selecting the right combination of atoms either in elemental or in compound form. Herein, we report a composite photocatalyst composed of earth abundant red phosphorus (RP) in nano-sheet morphology decorated with Bi2MoO6 nano-particles. The composite synthesised by a facile ultrasonication method produces 51.8 mu mol g(-1) h(-1) of ethanol from CO2. The ability of RP for the conversion of CO2 to C1 has been altered by the introduction of Bi2MoO6. In situ Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) and Kinetic Isotopic Effect (KIE) analysis shed light on the mechanistic pathway, which propose that the presence of Bi-Mo dual sites play a crucial role in the C-C coupling toward the formation of ethanol. Spectroscopic evidence and isotope labeling experiments suggest that the intermediate OCH3* is the key active species for ethanol formation via self-coupling followed by proton transfer.
}, issn = {1754-5692}, doi = {10.1039/d1ee02976b}, author = {Das, Risov and Das, Kousik and Ray, Bitan and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48227, title = {Gut microbiota dysbiosis in patients with intracranial sino-venous thrombosis and acute ischemic stroke in the young}, journal = {Annals of Indian Academy of Neurology}, volume = {25}, year = {2022}, month = {SEP-OCT}, pages = {980+}, type = {Letter}, issn = {0972-2327}, doi = {10.4103/aian.aian_393_22}, author = {Prabhu, Varsha A. and Rajput, Vinay and Yadav, Rakeshkumar and Gohil, Kushal and Dharne, Mahesh S. and Unnikrishnan, Mazhuvancherry Kesavan and Gorthi, Sankar Prasad} } @article {48089, title = {Heterostructure from heteromixture: unusual OER activity of FeP and CoP nanostructures on physical mixing}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {NOV}, pages = {22354-22362}, type = {Article}, abstract = {
Heterointerfaces generated by inter-domain interactions on a nanoscale play a critical role in altering the activity of an electrocatalyst towards an electrochemical process. Heterointerfaces affect the surface characteristics, electronic structure, and physicochemical properties of a nanomaterial. Herein, we report an FeP-CoP heterostructure prepared by simple physical mixing of FeP and CoP nanostructures showing a remarkable performance towards water oxidation in comparison to their individual monometallic phosphides. FeP mixed with 20 wt\% CoP shows a low overpotential (eta(10)) of 220 mV as compared to FeP (eta(10), 325 mV). Furthermore, a high current density of 1.37 A cm(-2) and mass activity of 18 987 A g(M)(-1) were also achieved at 500 mV overpotential in 1.0 M KOH. The physical mixture shows immense stability for 200 h to achieve a high current density of 200 mA cm(-2). Meanwhile the potentiostatic performance of FeP at 200 mA cm(-2) decreases to an extent of 50\% in 40 h. A full cell arrangement employing this catalyst as the anode material requires 1.56 V to attain a current density of 10 mA cm(-2). Various characterization techniques, control experiments and theoretical studies indicate that the formation of heterointerfaces between the nano-domains of FeP and CoP results in charge transfer between Fe and Co metal sites. In addition, an oxygenated surface at the metal phosphide interface favours the sorption kinetics of intermediates involved in the reaction leading to low energy barriers in the potential determining and other steps, thus showing improved performance towards water oxidation.
}, issn = {2050-7488}, doi = {10.1039/d2ta04296g}, author = {Bhutani, Divya and Maity, Sisir and Chaturvedi, Shashank and Chalapathi, Divya and Waghmare, V. Umesh and Narayana, Chandrabhas and Prabhakaran, Vinod C. and Muthusamy, Eswaramoorthy} } @article {48354, title = {Hierarchical TS-1 for epoxidation of non-edible Karanja (Millettia pinnata) oil methyl ester to methyl epoxioleate (biodiesel additive) in presence of H2O2 as oxidizing agent}, journal = {Environmental Progress \& Sustainable Energy}, volume = {41}, year = {2022}, month = {MAY}, pages = {e13766}, type = {Article}, abstract = {
Application of non-edible Karanja (Millettia pinnata) oil which is abundantly available in India is not explored so far. The present study is an attempt to convert fatty acid methyl ester (FAME) obtained from Karanja oil to methyl epoxioleate over hierarchical titanosilicate (TS-1) catalyst. Methyl epoxioleate, a biodiesel additive can blend up to 20\% with biodiesels to improve oxidative stability and cold flow properties of biodiesel. A series of hierarchical TS-1 were prepared by desilication of parent TS-1 with 0.1 N NaOH at 80 degrees C for 1, 3, 5, and 7 h, respectively. Samples were characterized by powder XRD, low temperature nitrogen adsorption/desorption, and TEM. Eighty percent FAME conversion with 70\% yield of methyl epoxioleate was obtained over 5H-TS-1 catalyst. The enhanced catalytic activity of a 5H-TS-1 compared to parent TS-1 mainly attributed to the high mesoporosity coupled with well-preserved crystallinity. 5H-TS-1 catalyst was found to be completely reusable after calcination at 500 degrees C for 12 h. Hierarchical 5H-TS-1 catalyst for effective conversion of non-edible Karanja oil methyl ester to methyl epoxioleate probably not reported so far.
}, keywords = {H2O2, hierarchical TS-1, Karanja oil methyl ester, methyl epoxioleate, TS-1}, issn = {1944-7442}, doi = {10.1002/ep.13766}, author = {Anil, Reshma and Niphadkar, Prashant and Bokade, Vijay} } @article {47763, title = {High throughput sequencing based direct detection of SARS-CoV-2 fragments in wastewater of Pune, West India}, journal = {Science of the Total Environment}, volume = {807}, year = {2022}, month = {FEB }, pages = {151038}, type = {Article}, abstract = {Given a large number of SARS-CoV-2 infected individuals, clinical detection has proved challenging. The wastewater-based epidemiological paradigm would cover the clinically escaped asymptomatic individuals owing to the faecal shedding of the virus. We hypothesised using wastewater as a valuable resource for analysing SARS-CoV-2 mutations circulating in the wastewater of Pune region (Maharashtra; India), one of the most affected during the covid-19 pandemic. We conducted study in open wastewater drains from December 2020- March 2021 to assess the presence of SARS-CoV-2 nucleic acid and further detect mutations using ARTIC protocol of MinION sequencing. The analysis revealed 108 mutations across six samples categorised into 39 types of mutations. We report the occurrence of mutations associated with Delta variant lineage in March-2021 samples, simultaneously also reported as a Variant of Concern (VoC) responsible for the rapid increase in infections. The study also revealed four mutations; S:N801, S:C480R, NSP14:C279F and NSP3:L550del not currently reported from wastewater or clinical data in India but reported worldwide. Further, a novel mutation NSP13:G206F mapping to NSP13 region was observed from wastewater. Notably, S:P1140del mutation was detected in December 2020 samples while it was reported in February 2021 from clinical data, indicating the instrumentality of wastewater data in early detection. This is the first study in India to demonstrate utility of sequencing in wastewater based epidemiology to identify mutations associated with SARS-CoV-2 virus fragments from wastewater as an early warning indicator system. (c) 2021 Elsevier B.V. All rights reserved.}, keywords = {ARTIC protocol, Epidemiology, Metagenomics, Nanopore sequencing, SARS-CoV-2, wastewater}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2021.151038}, author = {Dharmadhikari, Tanmay and Rajput, Vinay and Yadav, Rakeshkumar and Boargaonkar, Radhika and Patil, Dhawal and Kale, Saurabh and Kamble, Sanjay P. and Dastager, Syed G. and Dharne, Mahesh S.} } @article {48198, title = {High-alkaline water-splitting activity of mesoporous 3D heterostructures: an amorphous-shell@crystalline-core nano-assembly of Co-Ni-phosphate ultrathin-nanosheets and V- doped cobalt-nitride nanowires}, journal = {Advanced Science}, volume = {9}, year = {2022}, month = {AUG}, pages = {2201311}, type = {Article}, abstract = {
Introducing amorphous and ultrathin nanosheets of transition bimetal phosphate arrays that are highly active in the oxygen evolution reaction (OER) as shells over an electronically modulated crystalline core with low hydrogen absorption energy for an excellent hydrogen evolution reaction (HER) can boost the sluggish kinetics of the OER and HER in alkaline electrolytes. Therefore, in this study, ultrathin and amorphous cobalt-nickel-phosphate (CoNiPOx) nanosheet arrays are deposited over vanadium (V)-doped cobalt-nitride (V-3\%-Co4N) crystalline core nanowires to obtain amorphous-shell@crystalline-core mesoporous 3D-heterostructures (CoNiPOx@V-Co4N/NF) as bifunctional electrocatalysts. The optimized electrocatalyst shows extremely low HER and OER overpotentials of 53 and 270 mV at 10 mA cm(-2), respectively. The CoNiPOx@V-3\%-Co4N/NF (+/-) electrolyzer utilizing the electrocatalyst as both anode and cathode demonstrates remarkable overall water-splitting activity, requiring a cell potential of only 1.52 V at 10 mA cm(-2), 30 mV lower than that of the RuO2/NF (+)/20\%-Pt/C/NF (-) electrolyzer. Such impressive bifunctional activities can be attributed to abundant active sites, adjusted electronic structure, lower charge-transfer resistance, enhanced electrochemically active surface area (ECSA), and surface- and volume-confined electrocatalysis resulting from the synergistic effects of the crystalline V-3\%-Co4N core and amorphous CoNiPOx shells boosting water splitting in alkaline media.
}, keywords = {core-shell, hydrogen productions, metal nitrides, metal phosphates, synergistic effect, water-splitting}, doi = {10.1002/advs.202201311}, author = {Singh, Thangjam Ibomcha and Maibam, Ashakiran and Cha, Dun Chan and Yoo, Sunghoon and BabaRao, Ravichandar and Lee, Sang Uck and Lee, Seunghyun} } @article {48120, title = {Highly efficient and reusable polymer supported palladium catalyst for copper free sonogashira reaction in water}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {APR}, pages = {e202104273}, type = {Article}, abstract = {
Development of a novel, greener and efficient heterogeneous catalytic system for copper free Sonogashira reaction in water is described. This novel catalyst can be easily prepared by a simple method through synthetic modification of nitrile group in Polyacrylonitrile (PAN) using monoethanolamine (MEA) followed by its complexation with palladium chloride (PdCl2). The resulting polymer Pd complex (mPAN-Pd) was characterized by means of Fourier Transform Infrared Spectroscopy (FTIR), Energy-Dispersive X-ray Spectroscopy (EDAX), Inductively Coupled Mass Spectrometry (ICP-MS) and X-ray Photo Electron Spectroscopy (XPS) analyses. mPAN-Pd was then explored as highly efficient heterogeneous catalyst for Sonogashira coupling reaction under copper and ligand free conditions in water affording the corresponding coupling products up to 97 \% isolated yield. Moreover, the catalyst was recovered by simple filtration after the reaction and reused for next 5 cycles with excellent stability and activity. This is the first report on the use of ethanolamine modified PAN Pd (II) complex as an efficient heterogeneous catalyst for a coupling reaction.
}, keywords = {catalysis, green chemistry, Palladium, Polymer Support, Sonogashira coupling}, issn = {2365-6549}, doi = {10.1002/slct.202104273}, author = {Sruthi, Pambingal Rajan and Nimmi, Puthan Purayil and Babu, Sukumaran Santhosh and Anas, Saithalavi} } @article {48031, title = {Highly efficient chemoselective hydrogenation of 5-HMF to BHMF over reusable bimetallic Pd-Ir/C catalyst}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {JUN}, pages = {e202200456}, type = {Article}, abstract = {
Catalytic synergism was observed for a bimetallic Pd-Ir catalyst supported on activated carbon for chemoselective hydrogenation of 5-hydroxymetahyl furfural (5-HMF) to 2, 5-(bishydroxymethyl) furan (BHMF) with complete conversion and 97 \% selectivity under very mild reaction conditions. The structural characterization like XRD, N-2 sorption, FE-SEM and TEM suggested formation of fine nanoparticles (1.95-3.08 nm) having very higher surface area, uniform distribution and mesoporous nature of the material. XPS spectra and Pyridine-IR spectroscopy revealed formation of Pd-PdO and Ir/IrO2/IrO3 interface on the catalytic surface along with strong Bronsted acidic sites which were responsible for high efficiency of catalyst at 80 degrees C, 100 psig H-2 pressure at 5-HMF/Catalyst=20 and within 2.5 h of reaction time. A plausible reaction mechanism is also elucidated based on structure activity correlation.
}, keywords = {5-HMF, Carbon, Catalytic synergism, Selective hydrogenation, Valorization}, issn = {2365-6549}, doi = {10.1002/slct.202200456}, author = {Ratrey, Geetanjali and Solanki, Bhanupratap S. and Kamble, Sanjay P. and Rode, V. Chandrashekhar} } @article {47577, title = {Highly efficient zirconium based carbonaceous solid acid catalyst for selective synthesis of 5-HMF from fructose and glucose in isopropanol as a solvent}, journal = {Catalysis Letters}, volume = {152}, year = {2022}, month = {AUG}, pages = {1703-1710}, type = {Article}, abstract = {
A new zirconium based carbonaceous solid acid catalyst Zr@CC-PA with both Lewis and Bronsted acidic sites was prepared by simultaneous carbonization and phosphonation of glucose followed by incorporation of zirconium metal on the surface of the catalyst. The catalyst was easy to prepare and the synthesized catalyst was well characterized using different techniques such as FT-IR, P-XRD, EDAX, SEM, TEM and XPS analysis. The catalytic activity was evaluated for synthesis of a very important platform chemical 5-HMF from fructose to glucose using isopropanol as a solvent. The catalyst was found to be highly efficient giving 86\% yield of 5-HMF from fructose and 45\% yield from glucose with high selectively. The catalyst can be reused at least four times without depreciation in its catalytic activity. The catalytic method developed is efficient, green and economical.
}, keywords = {5-Hydroxymethylfurfural, fructose, glucose, Zirconium based}, issn = {1011-372X}, doi = {10.1007/s10562-021-03764-9}, author = {Jori, Popat K. and Jadhav, Vrushali H.} } @article {48109, title = {Histone deacetylase-6 modulates Tau function in Alzheimer{\textquoteright}s disease}, journal = {Biochimica Et Biophysica Acta-Molecular Cell Research}, volume = {1869}, year = {2022}, month = {AUG}, pages = {119275}, type = {Article}, abstract = {
Alzheimer{\textquoteright}s disease (AD), one of the major tauopathies, is multifactorial with a massive demand for disease modifying treatments rather than symptom management. An AD-affected neuron shows Tau depositions generated due to overload on the proteostasis machinery of the cell and/or abnormal post-translational modifications on Tau protein. Loss of memory or dementia is the most significant concern in AD, occurring due to the loss of neurons and the connections between them. In a healthy brain, neurons interact with the environment and each other through extensions and migratory structures. It can thus be safe to assume that Tau depositions affect these growth structures in neurons. A Histone Deacetylase, HDAC6, has shown elevated levels in AD while also demonstrating direct interaction with the Tau protein. HDAC6 interacts with multiple proteins in the cell and is possibly involved in various signalling pathways. Its deacetylase activity has been a point of controversy in AD; however other functional domains remain unexplored. This review highlights the beneficial potential of HDAC6 in AD in mediating both Tau proteostasis and cytoskeletal rewiring for the neuritic extensions through its Ubiquitin Binding domain (HDAC6 ZnF UBP).
}, keywords = {Actin, Cytoskeleton, HDAC6, Microtubules, Proteostasis, Tau, ZnF UBP domain}, issn = {0167-4889}, doi = {10.1016/j.bbamcr.2022.119275}, author = {Qureshi, Tazeen and Chinnathambi, Subashchandrabose} } @article {46653, title = {Homo and heterologous expression of the HpPKS2 gene in Hypericum perforatum and Bacopa monnieri}, journal = {Plant Cell Tissue and Organ Culture}, year = {2022}, month = {JAN}, pages = {215-215}, type = {Article}, abstract = {
Hypericum perforatum has been known to produce hypericin and hyperforin that are used in treating mild to moderate depression. The HpPKS2 (H. perforatum polyketide synthase 2) gene is assumed to play a role in hypericin biosynthesis. The HpPKS2 gene was overexpressed in homologous H. perforatum in vitro grown plants through Agrobacterium tumefaciens-mediated genetic transformations. It leads to the establishment of seven glass house acclimatized transgenic lines. Among them, the HP12 transgenic plant showed 9.8 fold enhancement in hypericin content (379.4 +/- 10.3 mu g/g dry wt) followed by 3-fold in HP41 (117.1 +/- 4.5 mu g/g dry wt) as compared to control plants. This was further supported by the real-time PCR studies where it registered up to 5 fold enhancement of HpPKS2 gene expression. On the other hand, the heterologous expression of the HpPKS2 gene in Bacopa monnieri resulted in the establishment of five transgenic plant clones that were successfully acclimatized under glasshouse conditions. Among them, BT4 was found to be very slow-growing. The BT3 line showed maximum expression of the HpPKS2 gene which surprisingly also upregulates the expression of the other metabolic pathway genes of B. monierri namely isopentyl- diphosphate delta isomerase (IDDI), squaline synthase (SQS) and acetyl CoA C acetyltransferase (AA). The HPLC analysis in the heterologous system revealed the maximum production of bacopaside I (9.86 +/- 1.0 mg/g dry wt), bacopaside II (5.89 +/- 0.9 mg/g dry wt) and bacopasaponin C (3.59 +/- 0.3 mg/g dry wt) by transgenic lines BT8, BT3 and BT4, respectively. This enhancement in bacopaside I, bacopaside II and bacopasaponin C production was more than 26-fold, 5-fold and 21-fold, respectively in comparison to the control non transformed plants. Key message Overexpression of the HpPKS2 gene in H. perforatum led to higher hypericin content in the native system while its expression in the heterologous system i.e. B. monnieri also improves bacopaside I, bacopaside II and bacopasaponin C production.
}, keywords = {Agrobacterium tumefacience, Bacopa monnieri, Bacopasides, Heterologous expression, HpPKS2, Hypericin, Hypericum perforatum, Transgenics}, issn = {0167-6857}, doi = {10.1007/s11240-020-01965-5}, author = {Khan, Shamshad Ahmad and Verma, Priyanka and Parasharami, Varsha A.} } @article {48010, title = {Honeycomb boron carbon nitride as high-performance anode material for li-ion batteries}, journal = {ChemNanoMat}, volume = {8}, year = {2022}, month = {JUL}, pages = {e202200056}, type = {Article}, abstract = {
3D Porous carbon-based materials are well known for their excellent mechanical and electrochemical properties for various energy storage applications including Li-ion Battery (LIB) anodes. However, their commercial application is limited due to their low theoretical specific capacity. Heteroatom doping in carbonaceous networks proved an efficient way to modify the surface properties, which considerably improves the Li intake capacity and Li diffusion in porous carbon materials. In this work, we have synthesized 3D honeycomb boron carbon nitride (HBCN) from boric acid, glucose, and cyanamide. Silica nanoparticles (SiO2 NPs) are used as structure-directing agents to replicate well-organized honeycomb structures. HBCN possesses a high specific surface area (SSA) of similar to 597 m(2) g(-1), with a uniform porosity distribution, low charge transfer resistance, and steady Li flux. When analyzed as an anode material for LIB, HBCN demonstrated an excellent specific capacity of similar to 652 mAhg(-1) and 408 mAhg(-1) at an input current density of 100 mAg(-1) and 1 Ag-1 respectively and an energy density of 227 Wh kg(-1) at 1 C rate in a full cell LIB. These results indicate that the doping of B and N hetero atoms is significantly advantageous for LIBs application.
}, keywords = {3D-Architecture, Heteroatom Doping, High-Performance Anode, Honeycomb boron carbon nitride (HBCN), Li-ion battery}, issn = {2199-692X}, doi = {10.1002/cnma.202200056}, author = {Karbhal, Indrapal and Chaturvedi, Vikash and Patrike, Apurva and Yadav, Poonam and Shelke, V, Manjusha} } @article {48171, title = {How far is {\textquoteleft}{\textquoteleft}Bulk Water{\textquoteright}{\textquoteright} from interfaces? depends on the nature of the surface and what we measure}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {FEB}, pages = {1125-1135}, type = {Article}, abstract = {
Using systematic molecular dynamics (MD) simulations, we revisit the question: At what distance from an interface do the properties of {\textquoteleft}{\textquoteleft}bulk water{\textquoteright}{\textquoteright} get recovered? We have considered three different kinds of interfaces: nonpolar (hydrophobic; isooctane-water interface), charged (negative; AOT bilayer), and polar (zwitterionic; POPC bilayer). In order to interrogate the extent of perturbation of the interfacial water molecules as a function of the distance from the interface, we utilize a diverse range of structural and dynamical parameters. To capture the structural perturbations, we look into local density (translational order), local tetrahedral order parameter, and dipolar orientation of the water molecules. We also explore the anisotropic diffusion of the water molecules in the direction perpendicular to the interface as well as the planar diffusion parallel to the interface in a distance dependent manner. In addition, the orientational time correlation functions have been computed to understand the extent of slowdown in the rotational dynamics. As expected, the electrostatic field emanating from the charged AOT interface seems to have the highest long-range effect on the orientational order and dynamics of the water molecules, whereas specific interactions like hydrogen bonding and electrostatic interaction lead to significant trapping and kinetic slowdown for both AOT and POPC (zwitterionic) very close to the interface. Our analysis highlights that not only the length-scale of perturbation depends on the nature of the interfaces and specific interactions but also the type of water property that we measure/calculate. Different water properties seem to have widely different length-scale of perturbation. Orientational order parameters seem to be perturbed to a much longer length-scale as compared to translational order parameters. The global orientational order of water can be perturbed even up to similar to 4-5 nm near the negatively charged AOT surface in the absence of any extra electrolyte. This observation has significant implication toward the interpretation of experimental measurements as well since different spectroscopic techniques would probe different parameters or water properties with possible mutual disagreement and inconsistency between different types of measurements. Thus, our study provides a broader and unifying perspective toward the aspect of {\textquoteleft}{\textquoteleft}context dependent{\textquoteright}{\textquoteright} structural and dynamical perturbation of {\textquoteleft}{\textquoteleft}interfacial water{\textquoteright}{\textquoteright}.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c08603}, author = {Hande, Vrushali R. and Chakrabarty, Suman} } @article {48130, title = {Hybrid material for ferric ion detection \& remediation: exceptional selectivity \& adsorption capacity with biological applications}, journal = {Microporous and Mesoporous Materials}, volume = {338}, year = {2022}, month = {JUN}, pages = {111945}, type = {Article}, abstract = {
In this work, naphthalimide derived functionalized silica material SiO2@NAPIA (2,2{\textquoteright}((((propylazanediyl)bis (methylene))bis(2,1-phenylene))bis(oxy))bis(N-(1,3-dioxo-1H-benzo[de]i soquinoline-2(3H)-yl)acetamide)) was constructed as a dual signaling and remediation material for ferric ions from a pool of 35 common ions (cations and anions) in the aqueous system. The material Cubic SiO2 shows a high surface area (1104 m2/g, pore volume (1.510 cm3/g), and pore diameter (6.3 nm) in the mesoporous range, which reduces further on functionalization to get the final material SiO2@NAPIA. The ferric ion selectivity through fluorescence quenching displays a SternVolmer quenching constant (Ksv) of 7.8 x 108 M-1 with a LOD (Limit of detection) value of 0.11 mu M for ferricion, which is 48 times lower than the USEPA (United States Environmental Protection Agency) maximum contaminant level (5.35 mu M) in drinking water. This material also shows a very high adsorption capacity (664 mg/g) for ferric ions fitting the Langmuir model isotherm with R2 = 0.99, which can be easily stripped out, and the material can be recycled. This material was also used as a sensory probe material for biosensing of ferric ions through fluorescence imaging in living organisms like Artemia salina and quantification in the real environmental sample. Furthermore, the antibacterial activity inspired by the ferric ion chelating affinity shows good potency against several Gram-negative and Gram-positive bacterial strains. The Minimum Inhibitory Concentration (MIC) \& Minimal Bactericidal Concentration (MBC) of the material against these pathogens were found to be 100 \& 200 mu g/mL respectively. This material signifies superior activity with respect to the ferric-ion selective materials known in the literature.
}, keywords = {Adsorption, Antibacterial, Biosensing, Functional material, Mesoporous silica, sensing}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2022.111945}, author = {Yadav, Sanjay and Rajpurohit, Dushyantsingh and Dash, Soumya Ranjan and Bhojani, Gopal and Chatterjee, Shruti and Paital, Alok Ranjan} } @article {48184, title = {Hydrodechlorination of 4-chloro-2-aminophenol into a recyclable product using Ni- and Cu-based catalysts}, journal = {Industrial \& Engineering Chemistry Research}, volume = {61}, year = {2022}, month = {OCT}, pages = {14433-14445}, type = {Article}, abstract = {
The 4-chloro-2-amino phenol (4C2AP) bearing wastewater is produced while manufacturing dyes and pharma-ceutical ingredients. Ni-and Cu-based cost-effective catalysts were developed, typically characterized, and subjected to hydrodechlori-nation (HDC) of 4C2AP. The role of reducing agents, concentration, pH of wastewater, presence of salt, reaction temperature, catalyst reuse, and the kinetics was investigated. A selective makeover of 2-amino phenol (2AP) was analyzed by HPLC, LCMS, and NMR. A complete HDC of 4C2AP with remarkable selectivity (98\%) toward 2AP was achieved using a Ni0 catalyst and NaBH4 at room temperature. It is observed that the alkaline condition, the presence of salt, and a high reaction temperature favor the HDC process. A maximum of 1 g L-1 of the Ni0 loading is found to be sufficient to dechlorinate the pollutant. It can be concluded that the catalytic HDC is a technically viable and inexpensive process for the conversion of 4C2AP into a valuable product, 2AP.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.2c00848}, author = {Shetty, Rohit R. and Raut, Sandesh S. and Kulkarni, Prashant S. and Kamble, Sanjay P.} } @article {47805, title = {Hydroformylation of olefins by metals other than rhodium}, journal = {Journal of Organometallic Chemistry}, volume = {960}, year = {2022}, month = {FEB}, pages = {122231}, type = {Article}, abstract = {Metal catalyzed hydroformylation of alkenes is an atom economic transformation to construct useful aldehydes and is being industrially practiced for decades. The most commonly used metal for this transformation on an industrial scale is rhodium. However, rhodium is rare, costly, and is depleting at a skyrocketing rate. Therefore, finding a suitable alternative to rhodium for metal-catalyzed hydroformylation has been on the radar of many academic and industrial researchers. This review presents the scientific advancements reported in the hydroformylation reaction using metals other than rhodium. An overview of recent progress in palladium, iridium, ruthenium, cobalt, platinum, and iron-catalyzed hydroformylation is presented. Hydroformylation of alkenes and alkynes, using syngas as well as syngas surrogates is examined. The evaluation of the current status of non-rhodium metals in hydroformylation suggests that the field is still in a nascent stage and, except cobalt, no other metal poses a significant challenge to the dominance of rhodium. Deep mechanistic understanding of rate-limiting elementary steps in the non-rhodium metals is largely missing and thus only limited success is reported. Intense research on ligand design, mechanistic understanding, and choice of non-rhodium metal precursors may change this scenario in near future.}, keywords = {aldehydes, alkenes, catalysis, Hydroformylation, Non-rhodium metals}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2021.122231}, author = {Kumar, Rohit and Chikkali, Samir H.} } @article {47722, title = {Hydrogen solubility in biphasic liquid reaction mixture of cinnamaldehyde hydrogenation: experimental and mathematical modeling study}, journal = {Journal of Chemical Sciences}, volume = {134}, year = {2022}, month = {MAR}, pages = {1}, type = {Article}, abstract = {The solubility of hydrogen in the biphasic reaction mixture of cinnamaldehyde hydrogenation at 298 to 353 K has been determined in this work experimentally and by using a thermodynamic model. It is evident from many studies that the addition of extra phase, aqueous KOH as the fourth phase, to the three-phase cinnamaldehyde hydrogenation mixture [gas (hydrogen)-liquid (cinnamaldehyde + toluene)-solid (catalyst)] leads to enhancement of cinnamyl alcohol selectivity to a great extent. Determination of hydrogen solubility in this biphasic (organic-aqueous) reaction mixture is crucial to understand the intrinsic reaction kinetics of this reaction. The solubility of hydrogen was experimentally determined using a pressure drop method and reported in terms of Henry{\textquoteright}s constant. Firstly, hydrogen solubility was determined in pure components viz. toluene, cinnamaldehyde, and water followed by determination of its solubility in the cinnamaldehyde-toluene mixture, aqueous KOH, and eventually, in the reaction mixture containing the two immiscible liquid phases. The effect of changing concentrations in these mixtures and changing phase holdups in the total reaction mixture on hydrogen solubility was studied. Starting from pure components to the reaction mixture, the hydrogen solubility was predicted using a two-step thermodynamic approach involving regular solution theory and the theory of corresponding states. The solubility predictions from this thermodynamic model will be helpful in the accurate estimation of kinetic parameters.}, keywords = {biphasic liquid mixture, gas-liquid-liquid-solid [GLLS], hydrogen solubility, Hydrogenation, thermodynamic model}, issn = {0974-3626}, doi = {10.1007/s12039-021-01987-2}, author = {Khan, Muzammil Y. and Joshi, Sunil S. and Ranade, Vivek V.} } @article {47901, title = {Hypersilyl substituent in heavier low-valent group 14 chemistry}, journal = {European Journal of Inorganic Chemistry}, volume = {2022}, year = {2022}, month = {APR }, pages = {e202200071}, type = {Review}, abstract = {
The isolation of unusual compounds with low-valent main-group elements would not have been possible without the development of a series of sterically demanding ligands with bulky substituents. While early literature recognizes the advent of the sterically demanding tris(trimethylsilyl)silyl (SiMe3)(3)Si- group, also known as hypersilyl group, to stabilize species with new coordination modes for the main group elements, it has largely been more recent studies that have utilized this group for isolating stable compounds with low-valent main-group elements. Such compounds are not only interesting from the structure-bonding point of view but showcase potential for small molecule activation under ambient conditions. This review will cover the recent developments in stabilizing unusual compounds with group 14 elements using the exceptionally strong sigma-donor properties and pronounced steric effects of the hypersilyl moiety, emphasizing their synthesis, structure, and reactivity.
}, keywords = {Germylenes, Hydroboration, Hypersilyl, silylenes, Stannylenes}, issn = {1434-1948}, doi = {10.1002/ejic.202200071}, author = {Gour, Kritika and Bisai, Milan Kumar and Sen, Sakya S.} } @article {48340, title = {Hyperthermia and doxorubicin release by Fol-LSMO nanoparticles induce apoptosis and autophagy in breast cancer cells}, journal = {Nanomedicine}, volume = {17}, year = {2022}, month = {OCT}, pages = {1929-1949}, type = {Article}, abstract = {
Background: Studies on the anticancer effects of lanthanum strontium manganese oxide (LSMO) nanoparticles (NPs)-mediated hyperthermia at cellular and molecular levels are scarce. Materials \& methods: LSMO NPs conjugated with folic acid (Fol-LSMO NPs) were synthesized, followed by doxorubicin-loading (DoxFol-LSMO NPs), and their effects on breast cancer cells were investigated. Results: Hyperthermia (45 degrees C) and combination treatments exhibited the highest (similar to 95\%) anticancer activity with increased oxidative stress. The involvement of intrinsic mitochondria-mediated apoptotic pathway and induction of autophagy was noted. Cellular and molecular evidence confirmed the crosstalk between apoptosis and autophagy, involving Beclin1, Bcl2 and Caspase-3 genes with free reactive oxygen species presence. Conclusion: The study confirmed hyperthermia and doxorubicin release by Fol-LSMO NPs induces apoptosis and autophagy in breast cancer cells.
}, keywords = {Apoptosis, Autophagy, Breast cancer, combination therapy, doxorubicin, Folic acid, hyperthermia, LSMO, MDA-MB231 cells, PEG}, issn = {1743-5889}, doi = {10.2217/nnm-2022-0171}, author = {Kulkarni-Dwivedi, Neha and Patel, Pratikshkumar R. and Shravage, V. Bhupendra and Umrani, Rinku D. and Paknikar, Kishore M. and Jadhav, Sachin H.} } @article {48044, title = {Hypervalent-iodine-mediated oxidation followed by the acetoxylation/tosylation of alpha-substituted benzylamines to obtain alpha-acyloxy/tosyloxy ketones}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {SEP}, pages = {16832-16839}, type = {Article}, abstract = {
An efficient and metal-free method has been developed for the sequential oxidation of alpha-alkylbenzylamines followed by acetoxylation or tosylation for the synthesis of alpha-acyloxy/tosyloxy ketones using hypervalent iodine(iii). The employment of a simple starting material, broad substrate scope and operational simplicity are the key features of this protocol.
}, issn = {1144-0546}, doi = {10.1039/d2nj02271k}, author = {Rupanawar, Bapurao D. and Mane, Kishor D. and Suryavanshi, Gurunath} } @article {48397, title = {Identification and characterization of the key enzyme in the biosynthesis of the neurotoxin beta-ODAP in grass pea}, journal = {Journal of Biological Chemistry}, volume = {298}, year = {2022}, month = {MAY}, pages = {101806}, type = {Article}, abstract = {
Grass pea (Lathyrus sativus L.) is a grain legume commonly grown in Asia and Africa for food and forage. It is a highly nutritious and robust crop, capable of surviving both droughts and floods. However, it produces a neurotoxic compound, beta-N- oxalyl-L-alpha,beta-diaminopropionic acid (beta-ODAP), which can cause a severe neurological disorder when consumed as a primary diet component. While the catalytic activity associated with beta-ODAP formation was demonstrated more than 50 years ago, the enzyme responsible for this activity has not been identified. Here, we report on the identity, activity, 3D structure, and phylogenesis of this enzyme-beta-ODAP synthase (BOS). We show that BOS belongs to the benzylalcohol O-acetyltransfer-ase, anthocyanin O-hydroxycinnamoyltransferase, anthranilate N-hydroxycinnamoyl/benzoyltransferase, deacetylvindoline 4-O-acetyltransferase superfamily of acyltransferases and is structurally similar to hydroxycinnamoyl transferase. Using molecular docking, we propose a mechanism for its catalytic activity, and using heterologous expression in tobacco leaves (Nicotiana benthamiana), we demonstrate that expression of BOS in the presence of its substrates is sufficient for beta-ODAP production in vivo. The identification of BOS may pave the way toward engineering beta-ODAP-free grass pea cultivars, which are safe for human and animal consumption.
}, doi = {10.1016/j.jbc.2022.101806}, author = {Goldsmith, Moshe and Barad, Shiri and Knafo, Maor and Savidor, Alon and Ben-Dor, Shifra and Brandis, Alexander and Mehlman, Tevie and Peleg, Yoav and Albeck, Shira and Dym, Orly and Ben-Zeev, Efrat and Barbole, Ranjit S. and Aharoni, Asaph and Reich, Ziv} } @article {48155, title = {Identifying structural signature of dynamical heterogeneity via the local softness parameter}, journal = {Physical Review E}, volume = {105}, year = {2022}, month = {APR}, pages = {044604}, type = {Article}, abstract = {
In this work we study the relationship between the softness of a mean-field caging potential and dynamics at the local level. We first describe the local softness, which shows a distribution, thus identifying structural heterogeneity. We show that the lifetime of the softness parameter is connected to the lifetime of the well-known cage structure in supercooled liquids. Finally, our theory predicts that the local softness and the local dynamics is causal below the onset temperature where there is a decoupling between the short and long time dynamics, thus allowing a static description of the cage. With the decrease in temperature, the correlation between structure and dynamics increases. The study shows that at lower temperatures, the structural heterogeneity increases, and since the structure becomes a better predictor of the dynamics, it leads to an increase in the dynamical heterogeneity. We also find that the softness of a hard, immobile region evolves with time and becomes soft and eventually mobile due to the rearrangements in the neighborhood, confirming the well-known facilitation effect.
}, issn = {2470-0045}, doi = {10.1103/PhysRevE.105.044604}, author = {Sharma, Mohit and Nandi, Manoj Kumar and Bhattacharyya, Sarika Maitra} } @article {48029, title = {Immobilization of HPW on UiO-66-NH2 MOF as efficient catalyst for synthesis of furfuryl ether and alkyl levulinate as biofuel}, journal = {Molecular Catalysis}, volume = {531}, year = {2022}, month = {OCT}, pages = {112689}, type = {Article}, abstract = {
Phosphotungustic Acid (HPW) is an inorganic super acid, that is highly soluble in polar solvents limiting its applicability as acid catalysis. To overcome these limitations immobilization of HPW was carried out at room temperature by protonation of-NH2 group of UiO-66-NH2 MOF to UiO-66-NH2-HPW. ATR-FTIR spectroscopy and XPS results confirmed the protonation and chemical interaction between HPW and UiO-66-NH2. STEM-EDS mapping showed homogeneous distribution of HPW on UiO-66-NH2. BET and NH3-TPD confirmed the reduction in specific surface area, total pore volume, and increase in total acidity for UiO-66-NH2-HPW. Further, powder XRD, SEM, and HR-TEM prevailed that there is no change in phase and morphology after post-synthetic modification of UiO-66-NH2. The prepared catalyst is found to be effective for etherification and alcoholysis of furfuryl alcohol (FALc) to Furfuryl ether (FE) and Alkyl levulinate (AL). UiO-66-NH2-HPW has shown 97 mol \% FALc conversions in ethanolic media and 31 mol\% Ethyl furfuryl ether (EFE) yield and 29 mol\% Ethyl lev-ulinate (EL) yield. UiO-66-NH2-HPW is also found to be efficient for the multistep conversion of Furfural (FFR) to FALc, FE, and AL.
}, keywords = {Alcoholysis, etherification, Immobilization, Phosphotungstic acid, UiO-66-NH2-HPW}, issn = {2468-8231}, doi = {10.1016/j.mcat.2022.112689}, author = {Mulik, Nagesh and Bokade, Vijay} } @article {48406, title = {Improved mucoadhesion, permeation and in vitro anticancer potential of synthesized thiolated acacia and karaya gum combination: a systematic study}, journal = {Molecules}, volume = {27}, year = {2022}, month = {OCT}, pages = {6829}, type = {Article}, abstract = {
Thiolation of polymers is one of the most appropriate approaches to impart higher mechanical strength and mucoadhesion. Thiol modification of gum karaya and gum acacia was carried out by esterification with 80\% thioglycolic acid. FTIR, DSC and XRD confirmed the completion of thiolation reaction. Anticancer potential of developed thiomer was studied on cervical cancer cell lines (HeLa) and more than 60\% of human cervical cell lines (HeLa) were inhibited at concentration of 5 mu g/100 mu L. Immobilized thiol groups were found to be 0.8511 mmol/g as determined by Ellman{\textquoteright}s method. Cytotoxicity studies on L929 fibroblast cell lines indicated thiomers were biocompatible. Bilayered tablets were prepared using Ivabradine hydrochloride as the model drug and synthesized thiolated gums as mucoadhesive polymer. Tablets prepared using thiolated polymers in combination showed more swelling, mucoadhesion and residence time as compared to unmodified gums. Thiol modification controlled the release of the drug for 24 h and enhanced permeation of the drug up to 3 fold through porcine buccal mucosa as compared to tablets with unmodified gums. Thiolated polymer showed increased mucoadhesion and permeation, anticancer potential, controlled release and thus can be utilized as a novel excipient in formulation development.
}, keywords = {buccal tablets, enhanced permeation, ivabradine HCl, mucoadhesion, thiolated gums}, doi = {10.3390/molecules27206829}, author = {Munot, Neha and Kandekar, Ujjwala and Rikame, Chaitali and Patil, Abhinandan and Sengupta, Poulomi and Urooj, Shabana and Bilal, Anusha} } @article {48210, title = {Improvement in oxygen evolution performance of NiFe layered double hydroxide grown in the presence of 1T-Rich MoS2}, journal = {ACS Applied Materials \& Interfaces}, volume = {14}, year = {2022}, month = {JUL}, pages = {31951-31961}, type = {Article}, abstract = {
NiFe layered double hydroxide (NiFe LDH) grown in the presence of MoS2 (rich in 1T phase) shows exceptional performance metrics for alkaline oxygen evolution reaction (OER) in this class of composites. The as-prepared NiFe LDH/MoS2 composite (abbreviated as MNF) exhibits a low overpotential (eta(10)) of 190 mV; a low Tafel slope of 31 mV dec(-1); and more importantly, a high stability in its performance manifested by the delivery of current output for 45 h. It is important to note that this could be achieved with an exceedingly low loading of 0.14 mg cm(-2). The mass activity of this composite (97 A g(-1)) is about 14 times greater than that of the conventional RuO2 (7 A g(-1) ) at eta = 200 mV. When normalized with respect to the total metal content, a mass activity of 1000 A g(-1) (eta = 300 mV) was achieved. Impedance analysis further reveals that the significant reduction in charge-transfer resistance and hence high current density (5 times greater as compared to NiFe LDH at eta = 300 mV) observed for MNF is associated with interfacial adsorption kinetics of intermediates (R-1). Significant enhancement in the intrinsic activity of MNF over LDH has been observed through normalization of current with the electrochemically active surface area. Computational studies suggest that the Ni centers in the composite act as the active sites for OER, which is well-corroborated with the observed postreaction appearance of Ni3+ species.
}, keywords = {Impedance, LDH-MoS2 hybrid electrocatalyst, mass activity, OER, overpotential}, issn = {1944-8244}, doi = {10.1021/acsami.2c06210}, author = {Chakraborty, Soumita and Marappa, Shivanna and Agarwal, Sakshi and Bagchi, Debabrata and Rao, Ankit and Vinod, Chathakudath P. and Peter, Sebastian C. and Singh, Abhishek and Eswaramoorthy, Muthusamy} } @article {48028, title = {In situ direct transesterification process optimization for biodiesel production from aspergillus terreus wet biomass}, journal = {Journal of the American Oil Chemists Society}, volume = {99}, year = {2022}, month = {OCT}, pages = {52-53}, type = {Meeting Abstract}, issn = {0003-021X}, author = {Bed, Rashmi Karamchand and Ravi-Kumar, Ameeta and Kumar, V. Ravi} } @article {48132, title = {Incorporating conducting polypyrrole into a polyimide COF for carbon-free ultra-high energy supercapacitor}, journal = {Advanced Energy Materials}, volume = {12}, year = {2022}, month = {SEP}, pages = {2200754}, type = {Article}, abstract = {
Redox-active covalent organic frameworks (COFs) store charges but possess inadequate electronic conductivity. Their capacitive action works by storing H+ ions in an acidic electrolyte and is typically confined to a small voltage window (0-1 V). Increasing this window means higher energy and power density, but this risks COF stability. Advantageously, COF{\textquoteright}s large pores allow the storage of polarizable bulky ions under a wider voltage thus reaching higher energy density. Here, a COF-electrode-electrolyte system operating at a high voltage regime without any conducting carbon or redox active oxides is presented. Conducting polypyrrole (Ppy) chains are synthesized within a polyimide COF to gain electronic conductivity (approximate to 10 000-fold). A carbon-free quasi-solid-state capacitor assembled using this composite showcases high pseudo-capacitance (358 mF cm(-2)@1 mA cm(-2)) in an aqueous gel electrolyte. The synergy among the redox-active polyimide COF, polypyrrole and organic electrolytes allows a wide-voltage window (0-2.5 V) leading to high energy (145 mu Wh cm(-2)) and power densities (4509 mu W cm(-2)). Amalgamating the polyimide-COF and the polypyrrole as one material minimizes the charge and mass transport resistances. Computation and experiments reveal that even a partial translation of the modules/monomers intrinsic electronics to the COF imparts excellent electrochemical activity. The findings unveil COF-confined polymers as carbon-free energy storage materials.
}, keywords = {carbon free capacitors, cation-anion co-storage, conductivity, high energy capacitors, polypyrrole doped COFs}, issn = {1614-6832}, doi = {10.1002/aenm.202200754}, author = {Haldar, Sattwick and Rase, Deepak and Shekhar, Pragalbh and Jain, Chitvan and Vinod, Chathakudath Prabhakaran and Zhang, En and Shupletsov, Leonid and Kaskel, Stefan and Vaidhyanathan, Ramanathan} } @article {48019, title = {Indoline-based donor-pi-acceptor visible-light responsive organic dyes for dye-sensitized solar cells: co-sensitization with squaraine dye for panchromatic IPCE response}, journal = {ACS Applied Energy Materials}, volume = {5}, year = {2022}, month = {FEB}, pages = {1858-1868}, type = {Article}, abstract = {
A series of metal-free indoline-based donor-pi-acceptor (D-pi-A) visible-light active organic dyes, where an indoline unit wrapped with alkyl or alkyl and glycolic (TEG) groups is used as a donor, a mono- or bi-thiophene unit is used as a pi-spacer, and cyanoacrylic acid acts as an acceptor unit, have been designed and synthesized for dye-sensitized solar cell (DSSC) application. These dyes showed three absorption bands in a dichloromethane solution: the first and second transitions are observed in the UV (337-385 nm) and visible (477-514 nm) regions and correspond to pi-pi* and intramolecular charge transfer (ICT) transition, respectively, whereas the third absorption band obtained in the near-IR (629-758 nm) region has been observed for the first time for a D-pi-A type dye architecture. Furthermore, the ICT transition band for AKT dyes showed negative solvatochromism with increasing polarity of solvents. Photovoltaic characterizations for AKT dyes have been systematically studied with a cobalt electrolyte to evaluate the effect of thiophene incorporation and alkyl group substitution by the TEG group on the DSSC device performance. Here, AKT2 showed the highest DSSC efficiency of 3.16\% with V-OC of 0.680 V and J(SC) of 6.24 mA/cm(2) without chenodeoxycholic acid (CDCA) in the AKT dye series, whereas DSSC efficiencies for AKT dyes were not affected much upon further addition of CDCA. Furthermore, AKT dyes were co-sensitized with a complementary optical responsive indoline-based SQS4 dye and showed enhanced efficiency. The combination of AKT2/SQS4 dyes with a ratio of 1:1 showed a maximum of 5.20\% co-sensitized solar cell efficiency compared to other dye combinations with the cobalt electrolyte.
}, keywords = {Dye-sensitized solar cells, indoline-based donor-pi-acceptor dye, intramolecular charge transfer, metal-free organic dye, panchromatic-light absorption, Solvatochromism}, issn = {2574-0962}, doi = {10.1021/acsaem.1c03343}, author = {Singh, Ambarish Kumar and Nithyanandhan, Jayaraj} } @article {48156, title = {Influence of catalyst reduction temperature on autogenous glycerol hydrogenolysis over NiAl catalyst}, journal = {Asian Journal of Organic Chemistry}, volume = {11}, year = {2022}, month = {FEB}, pages = {e202100704}, type = {Article}, abstract = {
Autogenous glycerol hydrogenolysis to 1,2-propanediol by aqueous phase reforming (APR) was investigated over supported nickel catalysts. Effect of reduction temperature on physico-chemical properties of catalysts played a significant role in tuning conversion and product selectivities. The formation of nickel aluminate (NiAl2O4) spinel phase during catalyst reduction led to rearrangement of Ni species to obtain small and stable Ni particles. The catalyst activation temperature alters the extent of reduction of multivalent Ni species (Ni-0, Ni+2/+3) which facilitated glycerol dehydration and hydrogenation while suppressing C-C cleavage and thus avoiding undesirable side products. Additionally, presence of moderate Bronsted/Lewis acid ratio of the catalyst promoted higher 1,2-PDO selectivity. In-situ glycerol hydrogenolysis involves glycerol dehydration to acetol with simultaneous reforming to H-2 and CO2 and this hydrogen converts acetol to 1,2-PDO.
}, keywords = {APR, autogenous hydrogenolysis, Glycerol, Propanediols, reduction temperature, spinel}, issn = {2193-5807}, doi = {10.1002/ajoc.202100704}, author = {Pandya, Rajan and Mane, Rasika and Rode, Chandrashekhar} } @article {48356, title = {Influence of ice templating on oxygen reduction catalytic activity of metal-free heteroatom-doped mesoporous carbon derived from polypyrrole for zinc-air batteries}, journal = {Energy Technology}, volume = {10}, year = {2022}, month = {DEC}, type = {Article}, abstract = {
The development of highly active, cost-effective, and durable, noble metal-free oxygen reduction electrocatalysts is inevitable for the full-fledged implementation of fuel cells and zinc-air batteries. This work reports the synthesis of heteroatom (N, P, S)-doped metal-free mesoporous carbon-based electrocatalyst derived from polypyrrole by combining the ice templating, freeze-drying, and carbonization processes. The correlation between the structure and electrochemical activity of the polypyrrole-derived carbon-based electrocatalyst in the presence and absence of ice templating is investigated. The optimized electrocatalyst, aided by the ice-templating and freeze-drying step, shows an onset and half-wave potential (E-1/2) of 0.94 and 0.78 V vs reversible hydrogen electrode, respectively, in an alkaline electrolyte (0.1 m KOH). Later, the application of the optimized electrocatalyst is demonstrated in a primary zinc-air battery (ZAB) cell. The results prove that the ZAB device performance based on the homemade catalyst is on par with that of the state-of-the-art Pt/C cathode. The catalyst performance is correlated with the heteroatom doping and the enhanced porosity of the sample benefitted from ice templating. Ultimately, this work depicts a facile and rational synthesis of a truly metal-free electrocatalyst for the primary ZABs that can be a potential replacement for state-of-the-art systems.
}, keywords = {metal-free electrocatalysts, oxygen reduction reaction, zinc-air batteries}, issn = {2194-4288}, doi = {10.1002/ente.202200840}, author = {Kurian, Maria and Ghosh, Meena and Vijayakumar, Vidyanand and Puthiyaveetil, Priyanka Pandinhare and Torris, Arun and Kurungot, Sreekumar} } @article {48188, title = {Influence of support textural property on CO2 to methane activity of Ni/ SiO2 catalysts}, journal = {Applied Catalysis B-Environmental}, volume = {317}, year = {2022}, month = {NOV}, pages = {121692}, type = {Article}, abstract = {
In this work, we elucidated the role of physicochemical textural properties of inert support on the catalyst ac-tivity by impregnating Ni on ordered mesoporous silica (SBA-15 and MCM-41) and non-mesoporous silica (nMPS). The catalyst Ni/SBA-15 exhibited the best CO2 conversion (83\%) and product selectivity (99.9 \%) followed by Ni/MCM-41 and the least by Ni/nMPS. The difference in the nature of the catalyst, degree of nanoparticle distribution and nanoparticle encapsulation by different silica support were studied by N2 adsorption-desorption and X-ray photoelectron spectroscopy (XPS) experiments. The Operando Diffused Reflec-tance Infrared Fourier Transform Spectroscopy were used to understand the variance in reaction pathway which is accredited to the textural properties of the support. The SBA-15 supported Ni catalyst followed dissociative CO pathway while MCM-41 and nMPS reacted through associative formate mechanism as major pathway. These findings provide a novel perspective on CO2 hydrogenation over Ni-silica, allowing us to tune both activity and selectivity.
}, keywords = {CO2 methanation, DRIFTS, Mesoporous silica support, Textural properties}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2022.121692}, author = {Cherevotan, Arjun and Ray, Bitan and Churipard, Sathyapal R. and Kaur, Komalpreet and Gautam, Ujjal K. and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48187, title = {Insights into active tungsten species on Pt/W/SBA-15 catalysts for selective hydrodeoxygenation of glycerol to 1,3-propanediol}, journal = {Molecular Catalysis}, volume = {531}, year = {2022}, month = {OCT}, pages = {112704}, type = {Article}, abstract = {
Diols are important class of industrial chemicals. Their synthesis from bio-resources (instead from fossil feed-stocks) is sustainable. In this study, we probed active tungsten species on Pt/W/SBA-15 catalysts for selective synthesis of 1,3-propanediol (1,3-PDO) from aqueous glycerol through a liquid-phase hydrodeoxygenation re-action. A synergistic enhancement in glycerol conversion and 1,3-PDO selectivity was observed when both Pt and W were present on the catalyst. A volcano-shape variation followed with a gradual increase in glycerol conversion and 1,3-PDO yield with W-loading (0.25-15 wt\%) was observed. Pt dispersion and acidity of the catalyst dis-played similar variations with the W-loading confirming their critical role in the reaction. Structure-function relationships inferred that oligomeric WOx with moderate Bro center dot nsted acidity (predominant at 1 wt\% W-loading) in contact with dispersed Pt are the active species for 1,3-PDO formation and crystalline WO3 with strong Bro center dot nsted acidity (prevalent above 4 wt\% W-loading) in association with Pt nanoparticles lead to 1-propanol formation.
}, keywords = {3-Propanediol, Active sites, Glycerol, Hydrodeoxygenation, Hydrogenolysis, Supported Pt-WO x}, issn = {2468-8231}, doi = {10.1016/j.mcat.2022.112704}, author = {Bhowmik, Susmita and Enjamuri, Nagasuresh and Sethia, Govind and Akula, Venugopal and Marimuthu, Banu and Darbha, Srinivas} } @article {48161, title = {Insights on biorational potential of Ocimum gratissimum essential oil and its binary combination with monoterpene phenol for control of rice weevil (Sitophilus oryzae) and aflatoxigenic fungi.}, journal = {Food Bioscience}, volume = {50}, year = {2022}, month = {DEC}, pages = {102019}, type = {Article}, abstract = {
Food grain storage is a difficult task due to insect infestation and subsequent mycotoxin contaminations which adversely affects the nutritional quality of grains and leading to economic loss. Current research focuses on contact and fumigant toxicity effects of essential oils (EO) and aroma compounds against Sitophilus oryzae and growth inhibition of aflatoxigenic fungi. The EO of Ocimum gratissimum comprised of thymol (46.8\%), gamma-terpi-nene (14.04\%) along with o-cymene (11.76\%). Also, Cymbopogon flexuosus rich in citral (76.3\%) and geraniol (84.6\%) and Cymbopogon nardus having geraniol (49.24\%) and geranyl acetate (20.9\%) were all evaluated using a dose of 25 mu L (Conc-833.3 mu L/L air) against S. oryzae. All the compounds showed significant mortality (\>95\%) at 24 h of exposure. The insecticidal property of O. gratissimum oil chemotype showed a strong contact and fumigant toxicity against S. oryzae at a highest dose of 25 mu L (Conc-833.3 mu L/L air) within 24 h. It has been further evaluated on three aflatoxigenic fungal strains which showed reduction in growth and aflatoxin content (Aflatoxin B and G), which was markedly reduced upon the treatment. The binary mixture interaction of O. gratissimum oil with monoterpene phenol (carvacrol) was assessed and the specific binary mixture of 80:20 ratio (having additive property) acts as a contact insecticide with 100\% mortality. Hence, essential oil of less explored Ocimum species (O. gratissimum) and its binary mixture could be deployed as potential biorational for control of rice weevil (Sitophilus oryzae) and aflatoxigenic Aspergillus spp.
}, keywords = {Aflatoxigenic fungi, Binary combination, Essential oil, Ocimum gratissimum, Sitophilus oryzae}, issn = {2212-4292}, doi = {10.1016/j.fbio.2022.102019}, author = {Remesh, V. Archana and Raveendran, Ashika and Bincy, K. and Wagh, Vasudev S. and Dastager, Syed G. and Babu, C. S. Vivek} } @article {48087, title = {Instabilities as the origin of large-area self-assembled and aligned organic semiconductor nanocrystals}, journal = {ACS Applied Electronic Materials}, volume = {4}, year = {2022}, month = {APR}, pages = {1815-1822}, type = {Article}, abstract = {
Aligned nanocrystals of organic semiconductors (OSCs) are highly desirable for electronic devices and biomedical and photonic applications. Solution-based wet processing routes have the potential to produce aligned nanocrystals over large areas in small time frames. Herein, we demonstrate that by optimizing the hydrodynamic evaporative processes, controlled long-range crystalline assemblies of OSCs can be achieved (longest nanocrystal similar to 3 mm) purely through physical processes: namely, from fingering instabilities. Self-assembly is achieved here without strong noncovalent interactions such as hydrogen-bonding interactions. Experimentally our approach involves just placing a drop of a solution on an inclined substrate. Nanocrystals with widths of 300-800 nm and lengths of millimeters (length/width aspect ratios \>10(5)) are formed in less than 2-8 s. A hydrazine chemiresistive sensor based on the aligned crystalline patterns show unprecedented responsivity (similar to 10(-6)), 2 orders greater than those of stick-slip patterns. Finally, experimental parameters that need optimization to achieve nanocrystal patterns are investigated in detail and pointers to fabricate such OSC nanocrystals are provided.
}, keywords = {aligned fibers, diketopyrrolopyrrole, fingering instability, nanocrystal arrays, naphthalenediimide, organic semiconductors}, doi = {10.1021/acsaelm.2c00061}, author = {Venugopalan, Vijay and Jain, Bhanprakash and Mahale, Rajashree Y. and Subramani, Kumar and Krishnamoorthy, Kothandam} } @article {48054, title = {Integrated chemo and bio-catalyzed synthesis of 2,5-furandicarboxylic acid from fructose derived 5-hydroxymethylfurfural}, journal = {Biomass \& Bioenergy}, volume = {161}, year = {2022}, month = {JUN}, pages = {106474}, type = {Article}, abstract = {
Biomass being a renewable source of energy, has emerged as an attractive target for manufacturing valuable products. These possibilities can be explored to meet the current need for degradable plastic, 2,5-furandicarboxylic acid (FDCA). Integration of chemical and biological approaches for direct biomass conversion into FDCA was evaluated in this study. 5-hydroxymethylfurfural (5-HMF) was chemo-catalytically obtained from fructose using recyclable amberlyte IR-120 as a catalyst with \>98\% purity. Klebsiella oxytoca NCIM 2694 bacterial strain showed the potential of converting 98\% of 5-HMF into FDCA with 58\% selectivity at 96 h. With optimized conditions of pH 7, 37 degrees C, 2 g whole cells, we reported 99\% 5-HMF conversion to FDCA with 95\% selectivity at 72 h and 2667 mg L-1 yield, with 39 mg L-1 h-1 productivity. This is the highest yield obtained with the substrate concentration as high as 3000 mg L-1 reported till date. While the bacterial tolerance to 5-HMF observed was for the highest 5-HMF concentration of 4000 mg L-1, with 99\% conversion however, compromising the FDCA yield to 2447 mg L-1 and 32 mg L-1 h-1 productivity. Atom economy of 85\% and E factor of 17.71 g g-1 was obtained as a measure of its efficiency and sustainability of the process. The developed process will decrease the cost by excluding any extra nutrient supplement, complete substrate utilization, highest FDCA selectivity/productivity and higher tolerance by K. oxytoca, sequentially catalyzing the oxidations by a single route for FDCA synthesis from renewables.
}, keywords = {biocatalysis, Biodegradable polyester, Biomass, Platform chemical, Sustainability metrics}, issn = {0961-9534}, doi = {10.1016/j.biombioe.2022.106474}, author = {Parate, Roopa D. and Dharne, Mahesh S. and Rode, V. Chandrashekhar} } @article {48052, title = {Intensified hydrodynamic cavitation using vortex flow based cavitating device for degradation of ciprofloxacin}, journal = {Chemical Engineering Research \& Design}, volume = {187}, year = {2022}, month = {NOV}, pages = {623-632}, type = {Article}, abstract = {
The present work, for the first time, establishes degradation behavior of ciprofloxacin (CIP), a widely used fluoroquinolone group of antibiotics, using vortex flow based hydro-dynamic cavitation (HC) for low to high concentrations of CIP (10 and 100 mg/L). Effect of pressure on the degradation of CIP and TOC reduction was investigated on pilot plant scale (capacity 1 m3/h). Process intensifications using aeration as well as hydrogen per-oxide (H2O2) were also investigated. While aeration did not yield any significant en-hancement, process intensification using H2O2 resulted in similar to 200\% enhancement in the CIP degradation as compared to HC alone. Excellent degradations, to an extent of 79 \& 95\%, were achieved corresponding to high cavitational yields of 7.2 x 10-4 mg/J and 86.8 x 10-4 mg/J for CIP concentrations of 10 and 100 mg/L respectively using the process intensified approach of HC and H2O2, not reported so far for cavitating devices without moving ele-ments. The developed methodology demonstrated 4-7 times improvement in per-pass degradation and low cost with high efficiency compared to the conventional cavitation. The results clearly highlight utility of the process intensified approach using H2O2 for the degradation of CIP even at high concentrations, specifically important for pharmaceutical industries requiring zero liquid discharge norms.(c) 2022 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Antibiotics removal, ciprofloxacin, Degradation, Oxidation, Wastewater treatment}, issn = {0263-8762}, doi = {10.1016/j.cherd.2022.09.027}, author = {Patil, Pravin B. and Thanekar, Pooja and Bhandari, Vinay M.} } @article {48362, title = {Interdigitated flow field impact on mass transport and electrochemical reaction in high-temperature polymer electrolyte fuel cell}, journal = {Journal of Power Sources}, volume = {532}, year = {2022}, month = {JUN }, pages = {231319}, type = {Article}, abstract = {
The enhanced performance of Polybenzimidazole (PBI) based high-temperature polymer electrolyte fuel cell (HT-PEFC) with interdigitated flow field over the other flow fields can be a consequence of higher average pressure developed on the flow field due to dead end in the channels or faster mass transport due to pressuredriven convection in the gas diffusion layer (GDL). In the present study, the effect of average pressure on the flow field and mass transport mechanism in the GDL on the HT-PEFC performance have been systematically decoupled. Three-dimensional simulation validated by experimental studies confirm that the enhanced performance in case of the interdigitated flow field is due to faster mass transport in the GDL and not due to higher average gas pressure. The simulation studies are performed on the interdigitated flow field and compared against the parallel flow field to have an insight into the effect of key operating and geometric parameters. There exists an optimum value for channel to rib ratio and current density saturates after an air stoichiometry of 4 which is validated by experiments.
}, keywords = {HT-PEFC, Interdigitated flow field, Mass transport mechanism, pressure, stoichiometry}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2022.231319}, author = {Agarwal, Harshal and Thosar, Aniket U. and Bhat, Santoshkumar D. and Lele, Ashish K.} } @article {48128, title = {Interplay of anion-pi(+) and pi(+)-pi(+) interactions in novel pyrido[2,1-a]isoquinolinium-based aiegens - substituent- and counterion-dependent fluorescence modulation and applications in live cell mitochondrial imaging}, journal = {Chemistry-A European Journal}, volume = {28}, year = {2022}, month = {JUL }, pages = {e202200632}, type = {Article}, abstract = {
Recently, the concept of anion-pi(+) interactions has witnessed unique applications in the field of AIEgen development. In this contribution, we disclose a consolidated study of a library of N-doped ionic AIEgens accessed through silver-mediated cyclization of pyridino-alkynes. A thorough photophysical, computational and crystallographic study has been conducted to rationalize the observed substituent- and counterion-dependent fluorescence properties of these luminogens. We further elucidate the prominent role of anion-pi(+) interactions, pi(+)-pi(+) interactions and other non-covalent interactions, in inhibiting the undesired ACQ effect. Finally, we have also demonstrated the application of selected AIEgens for imaging of mitochondria in live cells.
}, keywords = {1-a]isoquinolinium, AIEgens, anion-pi(+), crystal structure, mitochondrial imaging, pyrido[2}, issn = {0947-6539}, doi = {10.1002/chem.202200632}, author = {Mule, Ravindra D. and Roy, Rupam and Mandal, Koushik and Chopra, Deepak and Dutta, Tanoy and Sancheti, Shashank P. and Shinde, Popat S. and Banerjee, Somsuvra and Lal Koner, Apurba and Bhowal, Rohit and Senthilkumar, Beeran and Patil, Nitin T.} } @article {47808, title = {Inter-relationship of Histone Deacetylase-6 with Tau-cytoskeletal organization and remodeling}, journal = {European Journal of Cell Biology}, volume = {101}, year = {2022}, month = {APR}, pages = {151202}, type = {Article}, abstract = {Cytoskeletal elements are the key players in cellular integrity, structure, signalling and migration. Each cytoskeletal element comprises of properties with respect to its structure and stability, which serve a specific array of functions. These structures are highly dynamic and regulated by modulation via direct interaction or post-translational modifications. HDAC6 is a cytoplasmic deacetylase known to regulate a wide range of cellular functions either through its deacetylase activity or direct interaction via its C-terminal ZnF UBP domain. HDAC6 has been widely studied for its role in aggresome formation, which acts as a protective mechanism upon protein aggregation. HDAC6 is known to play a critical role in the regulation of cytoskeletal elements-microtubules and actin filaments. This review summarizes the regulatory role of HDAC6 in cytoskeletal remodeling and dynamics of neuronal cells and its significance in neurodegenerative diseases.}, keywords = {Actin, Cell migration, Cytoskeleton remodeling, HDAC6, Microtubules, Podosomes, ZnF UBP}, issn = {0171-9335}, doi = {10.1016/j.ejcb.2022.151202}, author = {Abhishek Ankur Balmik and Subashchandrabose Chinnathambi} } @article {47599, title = {Interrupted CuAAC-thiolation for the construction of 1,2,3-triazole-fused eight-membered heterocycles from O-/N-propargyl derived benzyl thiosulfonates with organic azides}, journal = {Advanced Synthesis \& Catalysis}, volume = {364}, year = {2022}, month = {JAN}, pages = {319-325}, type = {Article}, abstract = {A copper(I)-catalyzed interrupted click-sulfenylation of O-/N-propargyl benzyl thiosulfonates with organic azides has been disclosed. The unified CuAAC-thiolation provides a wide range of triazole-fused eight-membered heterocycles in good to high (51-94\%) yields under mild reaction conditions. Moreover, a three-component reaction is also achieved involving O-/N-propargyl benzyl thiosulfonates, benzyl bromide, and sodium azide to deliver fused-triazoles in 61-74\% yields. From a synthetic point of view, the present protocol has been demonstrated at gram-scale reactions. A plausible mechanism is also proposed based on experimental results and control experiments.}, keywords = {Eight-Membered Heterocycles, Fused-Triazoles, Interrupted-Click Reaction, Thiolation, thiosulfonates}, issn = {1615-4150}, doi = {10.1002/adsc.202101256}, author = {Reddy, Raju Jannapu and Waheed, Md and Kumari, Arram Haritha and Krishna, Gamidi Rama} } @article {48387, title = {Introduction to the themed collection on digitalization in reaction engineering}, journal = {Reaction Chemistry \& Engineering}, volume = {7}, year = {2022}, month = {MAR}, pages = {792-794}, type = {Editorial Material}, issn = {2058-9883}, doi = {10.1039/d2re90011d}, author = {Galvanin, Federico and Hartman, Ryan L. and Kulkarni, Amol A. and Nieves-Remacha, Maria Jose} } @article {48049, title = {Investigation of domain structures in monomethoxy poly(ethylene glycol)-b-poly(caprolactone) grafted poly(acrylic acid) by NMR diffusion studies}, journal = {Polymer International}, volume = {71}, year = {2022}, month = {AUG}, pages = {976-984}, type = {Article}, abstract = {
Associating polymers developed by grafting a block copolymer of monomethoxy poly(ethylene glycol)-b-poly(caprolactone) (MPEG-b-PCL) onto poly(acrylic acid) undergo an irreversible sol-gel transition on heating. The influence of various physicochemical parameters on the thermoresponsive behaviour was examined by rheology and NMR studies. Pulsed field gradient NMR diffusion studies were performed to probe the mechanism of thermally induced gelation. Analysis of the diffusion data reveals the presence of loosely and strongly associated structures which respond differently to variation in temperature. It is observed that the polymer solution, which is visibly homogeneous, is heterogeneous on a mesoscopic scale with a distribution of domains. Detailed investigation of the thermally induced sol-gel transition shows that the mechanism of gelation involves irreversible alterations in the domain structure and size. (c) 2022 Society of Industrial Chemistry.
}, keywords = {associating polymers, hydrophobically modified polymers, NMR diffusion studies, Rheology, sol-gel transition, thermoresponsive polymers}, issn = {0959-8103}, doi = {10.1002/pi.6380}, author = {Tiwari, Neha and Badiger, Manohar Virupax and Rajamohanan, Pattuparambil Ramanpillai and Ravindranathan, Sapna} } @article {48082, title = {Investigation of the captopril-insulin interaction by mass spectrometry and computational approaches reveals that captopril induces structural changes in insulin}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {JUL}, pages = {23115-23126}, type = {Article}, abstract = {
ABSTRACT: Post-translational modifications remarkably regulate proteins{\textquoteright} biological function. Small molecules such as reactive thiols, metabolites, and drugs may covalently modify the proteins and cause structural changes. This study reports the covalent modification and noncovalent interaction of insulin and captopril, an FDA-approved antihypertensive drug, through mass spectrometric and computation-based approaches. Mass spectrometric analysis shows that captopril modifies intact insulin, reduces it into its {\textquoteleft}{\textquoteleft}A{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}B{\textquoteright}{\textquoteright} chains, and covalently modifies them by forming adducts. Since captopril has a reactive thiol group, it might reduce the insulin dimer or modify it by reacting with cysteine residues. This was proven with dithiothreitol treatment, which reduced the abundance of captopril adducts of insulin A and B chains and intact Insulin. Liquid chromatography tandem mass spectrometric analysis identified the modification of a total of four cysteine residues, two in each of the A and B chains of insulin. These modifications were identified to be Cys6 and Cys7 of the A chain and Cys7 and Cys19 of the B chain. Mass spectrometric analysis indicated that captopril may simultaneously modify the cysteine residues of intact insulin or its subunits A and B chains. Biophysical studies involving light scattering and thioflavin T assay suggested that the binding of captopril to the protein leads to the formation of aggregates. Docking and molecular dynamics studies provided insights into the noncovalent interactions and associated structural changes in insulin. This work is a maiden attempt to understand the detailed molecular interactions between captopril and insulin. These findings suggest that further investigations are required to understand the long-term effect of drugs like captopril.
}, issn = {2470-1343}, doi = {10.1021/acsomega.2c00660}, author = {Ghosh, Amrita and Pawar, Aiswarya B. and Chirmade, Tejas and Jathar, Swaraj M. and Bhambure, Rahul and Sengupta, Durba and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article {47935, title = {Ionic liquids for the sustainable transformation of levulinic acid to gamma-valerolactone (GVL)}, journal = {Current Opinion in Green and Sustainable Chemistry}, volume = {35}, year = {2022}, month = {JUN}, pages = {100607}, type = {Article}, abstract = {
This short review is focused on recent findings on the role of ionic liquids (ILs) in catalysing the hydrogenation of levulinic acid (LA) to gamma valerolactone (GVL), which is a cascade reaction involving more than one type of reaction. A brief introduction on green aspects of IL as a catalyst followed by various types of ILs being used for hydrogenation of LA to GVL are discussed. The unique characteristics of ILs responsible for hydrogenation reaction are also explained along with the current and upcoming scenario of IL catalysed hydrogenation of LA to GVL.
}, keywords = {Biomass, Gamma valerolactone, Hydrogenation, Ionic liquid, levulinic acid}, issn = {2452-2236}, doi = {10.1016/j.cogsc.2022.100607}, author = {Kondawar, Sharda and Rode, Chandrashekhar} } @article {48371, title = {Iridium-catalyzed synthesis of pyrazolone fused 1,4-dihydrocinnolin-3-one employing alpha-diazotized Meldrum{\textquoteright}s acid}, journal = {ARKIVOC}, year = {2022}, month = {JAN}, pages = {179-190}, type = {Article}, abstract = {
The [Iri-catalysed carbenoid insertion and cyclization of N-arylpyrazolones has been carried out with alpha-diazotized Meldrum{\textquoteright}s acid to access tricyclic pyrazolone fused 1,4-dihydrocinnolin-3-one derivatives. Further, the selective reduction of these tricyclic derivatives has been studied under Birch reduction conditions.
}, keywords = {?-diazotized Meldrum{\textquoteright}s acid, C-H activation, carbene Insertion, cinnoline derivatives, N-arylpyrazolones, [Iri-Catalysis}, issn = {1551-7004}, doi = {10.24820/ark.5550190.p011.841}, author = {Kulkarni, Anand M. and Mullapudi, Venkannababu and Ramana, Chepuri Venkata} } @article {48148, title = {Isoeugenol affects expression pattern of conidial hydrophobin gene RodA and transcriptional regulators MedA and SomA responsible for adherence and biofilm formation in Aspergillus fumigatus}, journal = {Archives of Microbiology}, volume = {204}, year = {2022}, month = {APR}, pages = {214}, type = {Article}, abstract = {
Aspergillus fumigatus is one of the major pathogenic fungal species, causing life-threatening infections. Due to a limited spectrum of available antifungals, exploration of new drug targets as well as potential antifungal molecules has become pertinent. Rodlet layer plays an important role in adherence of fungal conidia to hydrophobic cell surfaces in host, which also leads to A. fumigatus biofilm formation, contributing factor to fungal pathogenicity. From decades, natural sources have been known for the development of new active molecules. The present study investigates effect of isoeugenol on genes responsible for hydrophobins (RodA), adhesion as well as biofilm formation (MedA and SomA) of A. fumigatus. Minimum inhibitory concentrations (MIC and IC50) of isoeugenol against A. fumigatus were determined using broth microdilution assay. The IC50 results showed reduced hydrophobicity and biofilm formation as well as eradication after treatment with the compound and electron micrograph data corroborated these findings. The qRT-PCR showed a significant downregulation of genes RodA, MedA, SomA and pksP involved in hydrophobicity and biofilm formation. SwissADME studies potentiated drug-like propensity for isoeugenol which formed four hydrogen bonds with low binding energy (- 4.54 kcal/mol) at the catalytic site of RodA protein studied via AutoDock4. Hence, the findings conclude that isoeugenol inhibits conidial hydrophobicity and biofilm formation of A. fumigatus and further investigations are warranted in this direction.
}, keywords = {Aspergillus fumigatus, Hydrophobicity, Isoeugenol, Transcription regulators, Virulence}, issn = {0302-8933}, doi = {10.1007/s00203-022-02817-w}, author = {Gupta, Lovely and Sen, Pooja and Bhattacharya, Asish K. and Vijayaraghavan, Pooja} } @article {47809, title = {Isolation and characterization of chitosans from different fungi with special emphasis on zygomycetous dimorphic fungus benjaminiella poitrasii: evaluation of its chitosan nanoparticles for the inhibition of human pathogenic fungi}, journal = {Biomacromolecules}, year = {2022}, month = {JAN}, pages = {null}, type = {Article}, abstract = {The cell wall chitosan was extracted from fungi belonging to different taxonomic classes, namely, Benjaminiella poitrasii (Zygomycetes, dimorphic), Hanseniaspora guilliermondii, Issatchenkia orientalis, Pichia membranifaciens, and Saccharomyces cerevisiae (Ascomycetes, yeasts), and Agaricus bisporus and Pleurotus sajor-caju (Basidiomycetes). The maximum yield of chitosan was 60.89 {\textpm} 2.30 mg/g of dry mycelial biomass of B. poitrasii. The degree of deacetylation (DDA) of chitosan extracted from different fungi, as observed with 1H NMR, was in the range of 70{\textendash}93\%. B. poitrasii chitosan exhibited the highest DDA (92.78\%). The characteristic absorption bands were observed at 3450, 1650, 1420, 1320, and 1035 cm{\textendash}1 by FTIR. Compared to chitosan from marine sources (molecular weight, MW, 585 kDa), fungal chitosans showed lower MW (6.21{\textendash}46.33 kDa). Further, to improve the efficacy of B. poitrasii chitosan (Bp), nanoparticles (Np) were synthesized using the ionic gelation method and characterized by dynamic light scattering (DLS). For yeast and hyphal chitosan nanoparticles (BpYCNp and BpHCNp), the average particle size was <200 nm with polydispersity index of 0.341 {\textpm} 0.03 and 0.388 {\textpm} 0.002, respectively, and the zeta potential values were 21.64 {\textpm} 0.34 and 24.48 {\textpm} 1.58 mV, respectively. The B. poitrasii chitosans and their nanoparticles were further evaluated for antifungal activity against human pathogenic Candida albicans ATCC 10231, Candida glabrata NCYC 388, Candida tropicalis ATCC 750, Cryptococcus neoformans ATCC 34664, and Aspergillus niger ATCC 10578. BpHCNps showed lower MIC90 values (0.025{\textendash}0.4 mg/mL) than the chitosan polymer against the tested human pathogens. The study suggested that nanoformulation of fungal chitosan, which has low molecular weight and high \% DDA, is desirable for antifungal applications against human pathogens. Moreover, chitosans as well as their nanoparticles were found to be hemocompatible and are therefore safe for healthcare applications.}, doi = {10.1021/acs.biomac.1c01248}, url = {https://doi.org/10.1021/acs.biomac.1c01248}, author = {Mane, Shamala and Pathan, Ejaj and Tupe, Santosh and Deshmukh, Sneha and Kale, Deepika and Ghormade, Vandana and Chaudhari, Bhushan and Deshpande, Mukund} } @article {48159, title = {Isolation and structural characterization of exopolysaccharide from marine Bacillus sp. and its optimization by Microbioreactor}, journal = {Carbohydrate Polymers}, volume = {285}, year = {2022}, month = {JUN }, pages = {119241}, type = {Article}, abstract = {
In the present study, a cost-effective, robust Microbioreactor based production optimization of levan like exopolysaccharide from marine Bacillus sp. SGD-03 was analysed. FE-SEM analysis has showed the significant fibrillar structure of EPS. Size exclusion chromatography and other analytical data revealed that, produced EPS has a molecular weight of 1.0 x 10(4) Da and is composed of fructose monosaccharide with hydroxyl, carbonyl, and ether groups. The backbone structure of EPS has a branching pattern of beta-(2,6) linkages which confirms the similarity with available levan like polymers. The cost-effective media composition for levan production was demonstrated. The maximum yield of crude levan obtained was 123.9 g/L by response surface methodology using robust BioLector Pro Microbioreactor, and same has been validated with shake flask, 1 L and 10 L pilot-scale fermentation.
}, keywords = {EPS, marine, Microbioreactor, Optimization, structure}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2022.119241}, author = {Wagh, Vasudev S. and Said, Madhukar S. and Bennale, Jagadish S. and Dastager, Syed G.} } @article {48111, title = {Janus cross-links in supramolecular networks}, journal = {Journal of the American Chemical Society}, volume = {144}, year = {2022}, month = {JAN}, pages = {845-853}, type = {Article}, abstract = {
Thermosets composed of cross-linked polymers demonstrate enhanced thermal, solvent, chemical, and dimensional stability as compared to their non-cross-linked counterparts. However, these often-desirable material properties typically come at the expense of reprocessability, recyclability, and healability. One solution to this challenge comes from the construction of polymers that are reversibly cross-linked. We relied on lessons from Nature to present supramolecular polymer networks comprised of cooperative Janus-faced hydrogen bonded cross-links. A triazine-based guanine-cytosine base (GCB) with two complementary faces capable of self-assembly through three hydrogen bonding sites was incorporated into poly(butyl acrylate) to create a reprocessable and recyclable network. Rheological experiments and dynamic mechanical analysis (DMA) were employed to investigate the flow behavior of copolymers with randomly distributed GCB units of varying incorporation. Our studies revealed that the cooperativity of multiple hydrogen bonding faces yields excellent network integrity evidenced by a rubbery plateau that spanned the widest temperature range yet reported for any supramolecular network. To verify that each Janus-faced motif engages in multiple cross-links, we studied the effects of local concentration of the incorporated GCB units within the polymer chain. Mechanical strength improved by colocalizing the GCB within a block copolymer morphology. This enhanced performance revealed that the number of effective cross-links in the network increased with the local concentration of hydrogen bonding units. Overall, this study demonstrates that cooperative noncovalent interactions introduced through Janus-faced hydrogen bonding moieties confers excellent network stability and predictable viscoelastic flow behavior in supramolecular networks.
}, issn = {0002-7863}, doi = {10.1021/jacs.1c10606}, author = {Mondal, Swagata and Lessard, Jacob J. and Meena, Chhuttan L. and Sanjayan, Gangadhar J. and Sumerlin, Brent S.} } @article {48365, title = {K3PO4-promoted cycloannulation of (E)-beta-Iodovinyl Sulfones with ortho-Hydroxy-chalcones/cinnamates for the synthesis of 2,3,4-trisubstituted 4h-benzopyran derivatives}, journal = {Advanced Synthesis \& Catalysis}, volume = {364}, year = {2022}, month = {DEC }, pages = {4080-4087}, type = {Article}, abstract = {
K3PO4-mediated cycloannulation of (E)-beta-iodovinyl sulfones with ortho-hydroxy chalcones/ortho-hydroxy cinnamates has been realized to access 2,3,4-trisubstituted-4H-benzopyran derivatives. A metal-free tandem oxa-Michael addition and cycloannulation allows the diversity-oriented synthesis of the corresponding 3-sulfonyl-4H-benzopyrans in good to high yields. More importantly, one-pot three-component reaction between (E)-beta-iodovinyl sulfones, 2-hydroxybenzaldehydes, and phosphonium ylides has been established for the synthesis of 4H-chromene derivatives in moderate to good yields. Notably, this metal-free process features a broad substrate scope and easy elaboration into numerous multifaceted chromene products, including bioactive estrone-derivative. The present protocol is sustainable at the gram scale reactions, and post-synthetic applications were also demonstrated. A plausible mechanism is also presented on the basis of existing experimental results.
}, keywords = {(E)-beta-Iodovinyl sulfones, Benzopyrans, Cycloannulation, ortho-Hydroxy Chalcones, Sulfones}, issn = {1615-4150}, doi = {10.1002/adsc.202200763}, author = {Reddy, Raju Jannapu and Kumar, Jangam Jagadesh and Krishna, Gamidi Rama} } @article {48117, title = {Kinetic model of GPCR-G protein interactions reveals allokairic modulation of signaling}, journal = {Biophysical Journal}, volume = {121}, year = {2022}, month = {FEB}, pages = {122}, type = {Meeting Abstract}, issn = {0006-3495}, author = {Culhane, Kelly and Gupte, Tejas and Madhugiri, Indrani and Gadgil, Chetan and Sivaramakrishnan, Sivaraj} } @article {48352, title = {Kinetic study on alkylation of hydroquinone with methanol over SO3H functionalized Bronsted acidic ionic liquids}, journal = {Canadian Journal of Chemical Engineering}, volume = {100}, year = {2022}, month = {OCT}, pages = {2986-2996}, type = {Article}, abstract = {
O-alkylation of a dihydric phenol (i.e., hydroquinone) with methanol in presence of benzoquinone catalyzed by double SO3H functionalized Bronsted acidic ionic liquids (i.e., 1,3-disulphonic acid imidazolium hydrogen sulphate, 1,3-disulphonic acid benzimidazolium hydrogen sulphate, and sulphuric acid) is studied in a batch reactor. The sensitivity of activity and selectivity with reaction time, temperature, speed of agitation, and catalyst loading was examined. The plausible reaction pathways proposed based on the experimental observations and detailed kinetic investigation are performed by assuming a homogeneous reaction phase. The kinetic parameters, such as pre-exponential factor and activation energy, are estimated for both ionic liquids and sulphuric acid by considering all competitive reactions, and comparative results were presented. An extended form of the Arrhenius equation is used to estimate the kinetic parameters for the reaction which showed curvature in lnk against a 1/T plot. The model prediction with the estimated kinetic parameters is in good agreement with the experimental data, which confirmed the model validity in the experimental operating range. It was found that ionic liquid has a potential application in the synthesis of a selective monoalkylated product of hydroquinone. The kinetic analysis performed is found to be useful in the understanding of process behaviour.
}, keywords = {4-Methoxyphenol, Hydroquinone, ionic liquids, Kinetic analysis, O-alkylation}, issn = {0008-4034}, doi = {10.1002/cjce.24307}, author = {Bhongale, V. Priyanka and Amonkar, Amogh A. and Joshi, Sunil S. and Mali, Nilesh A.} } @article {48235, title = {Kupyaphores are zinc homeostatic metallophores required for colonization of Mycobacterium tuberculosis}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {119}, year = {2022}, month = {FEB}, pages = {e2110293119}, type = {Article}, abstract = {
Mycobacterium tuberculosis (Mtb) endures a combination of metal scarcity and toxicity throughout the human infection cycle, contributing to complex clinical manifestations. Pathogens counteract this paradoxical dysmetallostasis by producing specialized metal trafficking systems. Capture of extracellular metal by siderophores is a widely accepted mode of iron acquisition, and Mtb iron-chelating siderophores, mycobactin, have been known since 1965. Currently, it is not known whether Mtb produces zinc scavenging molecules. Here, we characterize low-molecular-weight zinc-binding compounds secreted and imported by Mtb for zinc acquisition. These molecules, termed kupyaphores, are produced by a 10.8 kbp biosynthetic cluster and consists of a dipeptide core of ornithine and phenylalaninol, where amino groups are acylated with isonitrilecontaining fatty acyl chains. Kupyaphores are stringently regulated and support Mtb survival under both nutritional deprivation and intoxication conditions. A kupyaphore-deficient Mtb strain is unable to mobilize sufficient zinc and shows reduced fitness upon infection. We observed early induction of kupyaphores in Mtb-infected mice lungs after infection, and these metabolites disappeared after 2 wk. Furthermore, we identify an Mtb-encoded isonitrile hydratase, which can possibly mediate intracellular zinc release through covalent modification of the isonitrile group of kupyaphores. Mtb clinical strains also produce kupyaphores during early passages. Our study thus uncovers a previously unknown zinc acquisition strategy of Mtb that could modulate host-pathogen interactions and disease outcome.
}, keywords = {metallophore, nutritional immunity, tuberculosis, zinc}, issn = {0027-8424}, doi = {10.1073/pnas.2110293119}, author = {Mehdiratta, Kritee and Singh, Shubham and Sharma, Sachin and Bhosale, Rashmi S. and Choudhury, Rahul and Masal, Dattatraya P. and Manocha, Alzu and Dhamale, Bhushan Dilip and Khan, Naseem and Asokachandran, Vivekanand and Sharma, Pooja and Ikeh, Melanie and Brown, Amanda C. and Parish, Tanya and Ojha, Anil K. and Michael, Joy Sarojini and Faruq, Mohammed and Medigeshi, Guruprasad R. and Mohanty, Debasisa and Reddy, D. Srinivasa and Natarajan, Vivek T. and Kamat, Siddhesh S. and Gokhale, Rajesh S.} } @article {48066, title = {Lewis acid triggered N-alkylation of sulfoximines through nucleophilic ring-opening of donor-acceptor cyclopropanes: synthesis of gamma-sulfoximino malonic diesters}, journal = {Organic \& Biomolecular Chemistry}, volume = {20}, year = {2022}, month = {MAR }, pages = {2518-2529}, type = {Article}, abstract = {
Scandium triflate (Sc(OTf)(3)) catalyzed, mild, and regioselective ring-opening reaction of donor-acceptor (D-A) cyclopropanes has been developed using sulfoximines for the synthesis of gamma-sulfoximino malonic diesters. This protocol allows the synthesis of different N-alkyl sulfoximines in good to excellent yields (up to 94\%) with broad functional group tolerance. In this process, N-H and C-C bonds are cleaved to form new C-N and C-H bonds. The feasibility of this method is supported by a gram-scale reaction and synthetic elaboration of the obtained product.
}, issn = {1477-0520}, doi = {10.1039/d2ob00213b}, author = {More, Satish G. and Suryavanshi, Gurunath} } @article {48364, title = {Lewis acid-catalyzed chemodivergent and regiospecific reaction of phenols with quaternary peroxyoxindoles}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {NOV }, pages = {14155-14167}, type = {Article}, abstract = {
The indium-catalyzed regiospecific coupling of substituted phenol derivatives and quaternary peroxyoxindoles for the synthesis of C2 or C4 benzoxazin-3-one-substituted phenols via skeletal rearrangement is described. This reaction is demonstrated with 17 examples with good yields and diverse aryl substituents. In contrast to the indium-catalyzed reaction, the Cu(OTf)2- catalyzed reaction of the phenol with quaternary peroxyoxindoles afforded C2 or C4 2-oxindole-substituted phenol derivatives. This diverse catalytic reaction generated various biologically important phenol-substituted 2-oxindole derivatives directly without any skeleton rearrangement and was demonstrated with 19 examples in high yield. The regiospecificity and the reaction pathways were explained with the support of density functional theory (DFT).
}, issn = {0022-3263}, doi = {10.1021/acs.joc.2c01701}, author = {Shaikh, Moseen A. and Samal, Pragnya Paramita and Ubale, Akash S. and Krishnamurty, Sailaja and Gnanaprakasam, Boopathy} } @article {48071, title = {Ligand dynamics time scales identify the surface-ligandinteractions in thiocyanate-capped cadmium sulfide nanocrystals}, journal = {Journal of Physical Chemistry Letters}, volume = {13}, year = {2022}, month = {APR }, pages = {3059-3065}, type = {Article}, abstract = {
The nanocrystal surface, which acts as an interface between thesemiconductor lattice and the capping ligands, plays a significant role in theattractive photophysical properties of semiconductor nanocrystals for use in awide range of applications. Replacing the long-chain organic ligands with shortinorganic variants improves the conductivity and carrier mobility of nanocrystal-based devices. However, our current understanding of the interactions betweenthe inorganic ligands and the nanocrystals is obscure due to the lack ofexperiments to directly probe the inorganic ligands. Herein, using two-dimensional infrared spectroscopy, we show that the variations in the inorganicligand dynamics within the heterogeneous nanocrystal ensemble can identifythe diversities in the inorganic ligand-nanocrystal interactions. The liganddynamics time scale in SCN-capped CdS nanocrystals identifies three distinctligand populations and provides molecular insight into the nanocrystal surface.Our results demonstrate that the SCN-ligands engage in a dynamic equilibriumand stabilize the nanocrystals by neutralizing the surface charges through both direct binding and electrostatic interaction.
}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.2c00493}, author = {Deshmukh, Samadhan H. and Chatterjee, Srijan and Ghosh, Deborin and Bagchi, Sayan} } @article {48350, title = {Ligands as {\textquoteleft}{\textquoteleft}Matchmakers{\textquoteright}{\textquoteright}: alloying from a physical mixture of metal nanoparticle dispersions by digestive ripening}, journal = {Langmuir}, volume = {38}, year = {2022}, month = {DEC }, pages = {15917-15924}, type = {Article}, abstract = {
Digestive ripening (DR) of a physical mixture of different metal nanoparticles (NPs) in the presence of a suitable ligand is demonstrated to be a convenient way to obtain alloy NPs. The results show that the right choice of metal-ligand combination is extremely important for efficient alloying. The results are rationalized on the basis of hard soft acid base principles, and it is concluded that better alloying ensues if DR is carried out with soft ligands when soft metals are being used and hard ligands facilitate alloying between hard metals. On the other hand, when a physical mixture of hard-soft metals is taken, ligands with intermediate character work better. The results presented here could prove to be extremely valuable and open new avenues of making interesting alloy/intermetallic systems.
}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.2c01884}, author = {Shimpi, Jayesh R. and Prasad, V. Bhagavatula L.} } @article {48220, title = {Lignocellulose degradation by Penicillium janthinellum enzymes is influenced by its variable secretome and a unique set of feedstock characteristics}, journal = {Bioresource Technology}, volume = {365}, year = {2022}, month = {DEC}, pages = {128129}, type = {Article}, abstract = {
Substrate characteristics and proteins that affect lignocellulose-hydrolysis by the hypercellulolytic fungus Peni-cillium janthinellum NCIM 1366 (PJ-1366) were investigated. The hydrolysis rate of PJ-1366 enzymes was very high, with upto 75 \% of the reaction being completed in initial 4 h. Comparison of the hydrolytic efficiencies on differently pretreated biomass indicated that the greatest (negative) effect was imparted by lignin, suggesting that improving ligninase activity of the PJ-1366 enzymes may help to improve hydrolysis. Larger pore sizes and higher crystallinity of substrates, which favor enzyme penetration and processive hydrolysis, positively influ-enced hydrolysis efficiency. For alkali-pretreated substrates, 16 FPU/g of PJ-1366 cellulases released the sugar -equivalent of using 10 FPU/g of a commercial biomass hydrolyzing enzyme. By correlation analysis, 41 proteins, including 20 CAZymes were identified, whose abundance in the secretome positively correlated with the cellulase activities of the culture filtrate. These proteins may be considered as the primary drivers of FPase/ CMCase/pNPGase/xylanase activity in PJ-1366.
}, keywords = {Biofuel, CAZyme, Cellulase, Penicillium, Secretome}, issn = {0960-8524}, doi = {10.1016/j.biortech.2022.128129}, author = {Christopher, Meera and Sreeja-Raju, Athiraraj and Sankar, Meena and Gokhale, Digambar Vitthal and Pandey, Ashok and Sukumaran, Rajeev K.} } @article {48061, title = {Looking beyond adsorption energies to understand interactions at surface using machine learning}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {OCT}, pages = {e202202414}, type = {Article}, abstract = {
Identifying factors that influence interactions at the surface is still an active area of research. In this work, the importance of analyzing bond length activations (BLact) along with adsorption energies (E-a) while interpreting Density Functional Theory (DFT) results is emphasized. Investigating adsorption of different small molecules, such as O-2, N-2, CO, and CO2, on commonly studied facets ((100), (110), and (111)) of seven fcc transition metal surfaces (M=Ag, Au, Cu, Ir, Rh, Pt, and Pd) demonstrates the missing linear correlation between E-a and BLact. Further, tree based Machine Learning (ML) models reinforce the missing linear correlation between the two parameters and also highlight the importance of analyzing both to develop a better understanding of adsorption at surfaces. The best performing Random Forest models have a mean absolute error (MAE) of 0.19 eV for E-a prediction, and even lower MAE of 0.012 angstrom for BLact prediction. While often d-band center is correlated with E-a, our observations show that infact the d-band center has a better correlation with BLact. These observations emphasizes the role of BLact in gaining a fuller picture for catalysis. The fact that the factors responsible for BLact is a lesser-explored subject adds to the novelty of the findings.
}, keywords = {Adsorption energy, Bondlength activation, catalysis, DFT, machine learning}, issn = {2365-6549}, doi = {10.1002/slct.202202414}, author = {Agarwal, Sheena and Joshi, Kavita} } @article {48150, title = {Luminescence turn-off detection of metal ions and explosives using graphene quantum dots}, journal = {MRS Communications}, volume = {12}, year = {2022}, month = {APR}, pages = {168-174}, type = {Article}, abstract = {
Green luminescent graphene quantum dots (GQDs) obtained from combustion of white printing paper were used for detection of fourteen different metal ions and six different explosives in an aqueous medium. These were obtained using a microwave-assisted synthesis process. After optimizing the experimental conditions (pH 6; quantum yield (QY) similar to 38.2\%), a sensitive sensing system was developed to detect explosives and free residual metal ions in the environment based on fluorescence quenching of GQDs. The as-synthesized GQDs, as a sensing system, is most sensitive for Cu2+ ion and 2,4-DNP with a detection limit of 0.62 mu M and 0.50 mu M, respectively.
}, issn = {2159-6859}, doi = {10.1557/s43579-022-00157-w}, author = {Jyotsna, Shubhra and Sadhu, Subha and Sharma, Vinay and Gupta, Preeti and Sharma, Geeta and Poddar, Pankaj} } @article {48154, title = {Luminescent magnesium complexes with intra- and inter-ligand charge transfer}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {OCT}, pages = {11843-11846}, type = {Article}, abstract = {
Herein, we report two 2,2{\textquoteright}-pyridylpyrrolide (PyPyrH) ligand supported magnesium complexes (1 and 2), which demonstrate bright luminescence with a quantum yield of 22\% and 14\% in the solid state, respectively. Theoretical calculations reveal that their emissive properties originate from the intra- and inter-ligand charge transfer.
}, issn = {1359-7345}, doi = {10.1039/d2cc04142a}, author = {Kumar, Rohit and Pahar, Sanjukta and Chatterjee, Joy and Dash, Soumya Ranjan and Gonnade, Rajesh G. and Vanka, Kumar and Sen, Sakya S.} } @article {48236, title = {Machine learning-based approach to determine infection status in recipients of BBV152 (Covaxin) whole-virion inactivated SARS-CoV-2 vaccine for serological surveys}, journal = {Computers in Biology and Medicine}, volume = {146}, year = {2022}, month = {JUL}, pages = {105419}, type = {Article}, abstract = {
Data science has been an invaluable part of the COVID-19 pandemic response with multiple applications, ranging from tracking viral evolution to understanding the vaccine effectiveness. Asymptomatic breakthrough infections have been a major problem in assessing vaccine effectiveness in populations globally. Serological discrimination of vaccine response from infection has so far been limited to Spike protein vaccines since whole virion vaccines generate antibodies against all the viral proteins. Here, we show how a statistical and machine learning (ML) based approach can be used to discriminate between SARS-CoV-2 infection and immune response to an inactivated whole virion vaccine (BBV152, Covaxin). For this, we assessed serial data on antibodies against Spike and Nucleocapsid antigens, along with age, sex, number of doses taken, and days since last dose, for 1823 Covaxin recipients. An ensemble ML model, incorporating a consensus clustering approach alongside the support vector machine model, was built on 1063 samples where reliable qualifying data existed, and then applied to the entire dataset. Of 1448 self-reported negative subjects, our ensemble ML model classified 724 to be infected. For method validation, we determined the relative ability of a random subset of samples to neutralize Delta versus wild-type strain using a surrogate neutralization assay. We worked on the premise that antibodies generated by a whole virion vaccine would neutralize wild type more efficiently than delta strain. In 100 of 156 samples, where ML prediction differed from self-reported uninfected status, neutralization against Delta strain was more effective, indicating infection. We found 71.8\% subjects predicted to be infected during the surge, which is concordant with the percentage of sequences classified as Delta (75.6\%-80.2\%) over the same period. Our approach will help in real-world vaccine effectiveness assessments where whole virion vaccines are commonly used.
}, keywords = {BBV152, Covaxin, COVID-19, Ensemble methods, Infection, machine learning, SARS-CoV-2}, issn = {0010-4825}, doi = {10.1016/j.compbiomed.2022.105419}, author = {Singh, Prateek and Ujjainiya, Rajat and Prakash, Satyartha and Naushin, Salwa and Sardana, Viren and Bhatheja, Nitin and Singh, Ajay Pratap and Barman, Joydeb and Kumar, Kartik and Gayali, Saurabh and Khan, Raju and Rawat, Birendra Singh and Tallapaka, Karthik Bharadwaj and Anumalla, Mahesh and Lahiri, Amit and Kar, Susanta and Bhosale, Vivek and Srivastava, Mrigank and Mugale, Madhav Nilakanth and Pandey, C. P. and Khan, Shaziya and Katiyar, Shivani and Raj, Desh and Ishteyaque, Sharmeen and Khanka, Sonu and Rani, Ankita and Promila and Sharma, Jyotsna and Seth, Anuradha and Dutta, Mukul and Saurabh, Nishant and Veerapandian, Murugan and Venkatachalam, Ganesh and Bansal, Deepak and Gupta, Dinesh and Halami, Prakash M. and Peddha, Muthukumar Serva and Veeranna, Ravindra P. and Pal, Anirban and Singh, Ranvijay Kumar and Anandasadagopan, Suresh Kumar and Karuppanan, Parimala and Rahman, Syed Nasar and Selvakumar, Gopika and Venkatesan, Subramanian and Karmakar, Malay Kumar and Sardana, Harish Kumar and Kothari, Anamika and Parihar, Devendra Singh and Thakur, Anupma and Saifi, Anas and Gupta, Naman and Singh, Yogita and Reddu, Ritu and Gautam, Rizul and Mishra, Anuj and Mishra, Avinash and Gogeri, Iranna and Rayasam, Geethavani and Padwad, Yogendra and Patial, Vikram and Hallan, Vipin and Singh, Damanpreet and Tirpude, Narendra and Chakrabarti, Partha and Maity, Sujay Krishna and Ganguly, Dipyaman and Sistla, Ramakrishna and Balthu, Narender Kumar and Kumar, Kiran A. and Ranjith, Siva and Kumar, B. Vijay and Jamwal, Piyush Singh and Wali, Anshu and Ahmed, Sajad and Chouhan, Rekha and Gandhi, Sumit G. and Sharma, Nancy and Rai, Garima and Irshad, Faisal and Jamwal, Vijay Lakshmi and Paddar, Masroor Ahmad and Khan, Sameer Ullah and Malik, Fayaz and Ghosh, Debashish and Thakkar, Ghanshyam and Barik, S. K. and Tripathi, Prabhanshu and Satija, Yatendra Kumar and Mohanty, Sneha and Khan, Md Tauseef and Subudhi, Umakanta and Sen, Pradip and Kumar, Rashmi and Bhardwaj, Anshu and Gupta, Pawan and Sharma, Deepak and Tuli, Amit and Chaudhuri, Saumya Ray and Krishnamurthi, Srinivasan and Prakash, L. and Rao, V. Ch and Singh, B. N. and Chaurasiya, Arvindkumar and Chaurasiya, Meera and Bhadange, Mayuri and Likhitkar, Bhagyashree and Mohite, Sharada and Patil, Yogita and Kulkarni, Mahesh and Joshi, Rakesh and Pandya, Vaibhav and Mahajan, Sachin and Patil, Amita and Samson, Rachel and Vare, Tejas and Dharne, Mahesh and Giri, Ashok and Mahajan, Sachin and Paranjape, Shilpa and Sastry, G. Narahari and Kalita, Jatin and Phukan, Tridip and Manna, Prasenjit and Romi, Wahengbam and Bharali, Pankaj and Ozah, Dibyajyoti and Sahu, RaviKumar and Dutta, Prachurjya and Singh, Moirangthem Goutam and Gogoi, Gayatri and Tapadar, Yasmin Begam and Babu, Elapavalooru V. S. S. K. and Sukumaran, Rajeev K. and Nair, Aishwarya R. and Puthiyamadam, Anoop and Valappil, Prajeesh Kooloth and Prasannakumari, Adrash Velayudhan Pillai and Chodankar, Kalpana and Damare, Samir and Agrawal, Ved Varun and Chaudhary, Kumardeep and Agrawal, Anurag and Sengupta, Shantanu and Dash, Debasis} } @article {48085, title = {Magnetostriction studies on transition metal substituted cobalt ferrite}, journal = {Journal of the Indian Chemical Society}, volume = {99}, year = {2022}, month = {AUG}, pages = {100599}, type = {Article}, abstract = {
Structural, magnetic and microstructural properties of transition metal (TM) substituted cobalt ferrite Co0.9TM0.1Fe2O4 (where TM = Ti, Cr, Mn, Ni and Cu and Zn) were investigated. The present study shows marked dependence of the magnetostriction on the concentration of the substituted transition metal ions for Cobalt in CoFe2O4. The magnetic characteristics of the prepared compositions such as coercivity, anisotropy constant and saturation magnetization changed significantly on transition metal substitution. The present study shows the way to tune the anisotropy of cobalt ferrite by effective substitution of other transition metal ions for Co which subsequently affects the stress sensing performance by changing the slope of the magnetostriction curve. Apart from the magnetic properties the microstructure can also be effectively modified by substitution of other transition metal ions. Only 10\% substitution of cobalt showed drastic influence on magnetostriction and slope of magnetostriction curve. The composition with 10\% nickel Co0.9Ni0.1Fe2O4 exhibited maximum slope for the magnetostriction curve of -53.7 ppm/Oe, along with reasonably high magnitude of strain of 186 ppm making it a suitable for exploring stress sensing applications.
}, keywords = {Ferrite, Magnetoelastic, Magnetostriction, oxide, stress sensing}, issn = {0019-4522}, doi = {10.1016/j.jics.2022.100599}, author = {Bhame, D. Shekhar and Bhapkar, Abhishek and Shirolkar, Mandar M. and Joy, Pattayil A.} } @article {48357, title = {Maltooligosaccharide forming amylases and their applications in food and pharma industry}, journal = {Journal of Food Science and Technology-Mysore}, volume = {59}, year = {2022}, month = {OCT}, pages = {3733-3744}, type = {Review}, abstract = {
Oligosaccharides are low molecular weight carbohydrates with a wide range of health benefits due to their excellent bio-preservative and prebiotic properties. The popularity of functional oligosaccharides among modern consumers has resulted in impressive market demand. Organoleptic and prebiotic properties of starch-derived oligosaccharides are advantageous to food quality and health. The extensive health benefits of oligosaccharides offered their applications in the food, pharmaceuticals, and cosmetic industry. Maltooligosaccharides and isomaltooligosaccharides comprise 2-10 glucose units linked by alpha-1-4 and alpha-1-6 glycoside bonds, respectively. Conventional biocatalyst-based oligosaccharides processes are often multi-steps, consisting of starch gelatinization, hydrolysis and transglycosylation. With higher production costs and processing times, the current demand cannot meet on a large-scale production. As a result, innovative and efficient production technology for oligosaccharides synthesis holds paramount importance. Malto-oligosaccharide forming amylase (EC 3.2.1.133) is one of the key enzymes with a dual catalytic function used to produce oligosaccharides. Interestingly, Malto-oligosaccharide forming amylase catalyzes glycosidic bond for its transglycosylation to its inheritance hydrolysis and alternative biocatalyst to the multistep technology. Genetic engineering and reaction optimization enhances the production of oligosaccharides. The development of innovative and cost-effective technologies at competitive prices becomes a national priority.
}, keywords = {Glycosyl hydrolases, Isomaltooligosaccharides, Maltooligosaccharide, Maltooligosaccharide forming amylase, Transglycosylation}, issn = {0022-1155}, doi = {10.1007/s13197-021-05262-7}, author = {Shinde, Vidhya K. and Vamkudoth, Koteswara Rao} } @article {47999, title = {Manganese-catalyzed C(sp(2))-H alkylation of indolines and arenes with unactivated alkyl bromides}, journal = {Chemistry-an Asian Journal}, volume = {17}, year = {2022}, month = {MAY}, pages = {e202200103}, type = {Article}, abstract = {
Selective C(sp(2))-H bond alkylation of indoline, carbazole and (2-pyridinyl)arenes with unactivated alkyl bromides is achieved using MnBr2 catalyst in the absence of an external ligand. The alkylation uses a simple LiHMDS base and avoids the necessity of Grignard reagent, unlike other Mn-catalyzed C-H functionalization. This reaction proceeded either through a five- or a less-favored six-membered metallacycle, and tolerated diverse functionalities, including alkenyl, alkynyl, silyl, aryl ether, pyrrolyl, indolyl, carbazolyl and alkyl bearing fatty alcohol and polycyclic-steroid moieties. Alkylation follows a single electron transfer (SET) pathway involving 1e oxidative addition of alkyl bromide and a rate-limiting C-H metalation.
}, keywords = {Alkylation, C-H activation, indoline, ligand-free, manganese}, issn = {1861-4728}, doi = {10.1002/asia.202200103}, author = {Verma, Suryadev K. and Punji, Benudhar} } @article {48084, title = {Mapping the finite-temperature behavior of conformations to their potential energy barriers: case studies on Si6B and Si5B clusters}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {FEB }, pages = {6167-6173}, type = {Article}, abstract = {
Dynamical simulations of molecules and materials have been the route to understand the rearrangement of atoms within them at different temperatures. Born-Oppenheimer molecular dynamical simulations have further helped to comprehend the reaction dynamics at various finite temperatures. We take a case study of Si6B and Si5B clusters and demonstrate that their finite-temperature behavior is rather mapped to the potential energy surface. The study further brings forth the fact that an accurate description of the dynamics is rather coupled with the accuracy of the method in defining the potential energy surface. A more precise potential energy surface generated through the coupled cluster method is finally used to identify the most accurate description of the potential energy surface and the interconnected finite-temperature behavior.
}, issn = {2470-1343}, doi = {10.1021/acsomega.1c06654}, author = {Maneri, Asma H. and Singh, Chandrodai Pratap and Kumar, Ravi and Maibam, Ashakiran and Krishnamurty, Sailaja} } @article {47810, title = {Mathematical model of the multi-amino acid multi-transporter system predicts uptake flux in CHO cells}, journal = {Journal of Biotechnology}, volume = {344}, year = {2022}, month = {JAN}, pages = {40-49}, type = {Article}, abstract = {Supply and uptake of amino acids is of great importance to mammalian cell culture processes. Mammalian cells such as Chinese hamster ovary (CHO) cells express several amino acid (AA) transporters including uniporters and exchangers. Each transporter transports multiple AAs, making prediction of the effect of changed medium composition or transporter levels on individual AA transport rate challenging. A general kinetic model for such combinatorial amino acid transport, and a simplified analytical expression for the uptake rate as a function of amino acid concentrations and transporter levels is presented. From this general model, a CHO cell-specific AA transport model, to our knowledge the first such network model for any cell type, is constructed. The model is validated by its prediction of reported uptake flux and dependencies from experiments that were not used in model construction or parameter estimation. The model defines theoretical conditions for synergistic/repressive effect on the uptake rates of other AAs upon external addition of one AA. The ability of the CHO-specific model to predict amino acid interdependencies experimentally observed in other mammalian cell types suggests its robustness. This model will help formulate testable hypotheses of the effect of process changes on AA initial uptake, and serve as the AA transport component of kinetic models for cellular metabolism.}, keywords = {Amino acid transport, CHO cell, Exchanger, mathematical model, Multiple transporters}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2021.12.003}, author = {Sreejan, Ashley and Gadgil, Mugdha and Gadgil, Chetan J.} } @article {47099, title = {Mechanics of soft polymeric materials using a fractal viscoelastic model}, journal = {Mechanics of Time-Dependent Materials}, volume = {26}, year = {2022}, month = {JUN}, type = {Article}, abstract = {
Soft materials are known for their plethora of biomedical applications, intricate structure-property correlation and nonlinear mechanical response. Multiple length-time scale phenomena and hierarchical structure results in their nonlinearity. Phenomenological and continuum mechanical models have been developed to predict their mechanics, which have mostly been very material-specific with inability to predict the mechanics of different types of soft materials simultaneously. This shortcoming has been addressed in the present work, wherein a generic nonlinear viscoelastic model has been proposed to predict the mechanical response of hydrogels, sponges, and xerogels. A fractal derivative viscoelastic model is proposed considering a fractal Maxwell model in parallel with a nonlinear spring. In particular, this model is chosen to qualitatively mimic the material nonlinearity inherent in soft materials. The fractal dashpot in combination with the nonlinear spring accounts for the power law time-dependent rheology of generic soft materials. These two different aspects in the form of nonlinear stiffness and non-Newtonian rheology account for mechanics of most soft materials. The present model is shown to fit well the existing literature results for mechanical response of a multitude of soft material classes with different test conditions and loading rates, which is one of the salient features of the model, apart from its simplistic mathematical framework. Further, a parametric study is reported on the mechanics of nanocellulose loaded poly(vinyl alcohol) xerogel. The model predictions are observed to be in conjunction with the experimental observations.
}, keywords = {Mechanics, Nonlinear, Polymeric composites, Soft materials, viscoelastic}, issn = {1385-2000}, doi = {10.1007/s11043-021-09486-0}, author = {Pramanik, R. and Soni, F. and Shanmuganathan, K. and Arockiarajan, A.} } @article {48202, title = {Mechanistic insight into differential interactions of iron oxide nanoparticles with native, glycated albumin and their effect on erythrocytes parameters}, journal = {International Journal of Biological Macromolecules}, volume = {212}, year = {2022}, month = {JUL }, pages = {232-247}, type = {Article}, abstract = {
Nanoparticles and protein bioconjugates have been studied for multiple biomedical applications. We sought to investigate the interaction and structural modifications of bovine serum albumin (BSA) with iron oxide nanoparticles (IONPs). The IONPs were green synthesized using E. crassipes aqueous leaf extract following characterization using transmission electron microscopy, energy dispersive X-ray analysis and X-ray diffraction. Two different concentrations of native/glycated albumin (0.5 and 1.5 mg/ml) with IONPs were allowed to interact for 1 h at 37 degrees C. Glycation markers, protein modification markers, cellular antioxidant, and hemolysis studies showed structural modifications and conformational changes in albumin due to the presence of IONPs. UV-visible absorbance resulted in hyperchromic and bathochromic effects of IONPs-BSA conjugates. Fluorescence measurements of tyrosine, tryptophan, advanced glycated end products, and ANS binding assay were promising and quenching effects proved IONPs-BSA conjugate formation. In FTIR of BSA-IONPs, transmittance was increased in amide A and B bands while decreased in amide I and II bands. In summary, native PAGE, HPLC, and FTIR analysis displayed a differential behaviour of IONPs with native and glycated BSA. These results provided an understanding of the interaction and structural modifications of glycated and native BSA which may provide fundamental repercussions in future studies.
}, keywords = {Albumin, Glycation, iron oxide nanoparticles}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2022.05.106}, author = {Nisar, Akib and Ajabia, Devangi K. and Agrawal, Sanskruthi B. and Varma, Sanjana and Chaudhari, Bhushan P. and Tupe, Rashmi S.} } @article {48048, title = {Mechanistic insight the visible light driven hydrogen generation by plasmonic Au-Cu alloy mounted on TiO2 @B-doped g-C3N4 heterojunction photocatalyst}, journal = {Journal of Alloys and Compounds}, volume = {909}, year = {2022}, month = {JUL}, pages = {164754}, type = {Article}, abstract = {
Designing of two dimensional surfaces and interfaces with light-active materials has been established as a versatile approach to increase their photocatalytic activity. In the present work, n-type anatase TiO2 coupled with p-type B-doped g-C3N4 nanosheet (BCN) were fabricated and Au-Cu nanoalloy with varying atomic ratio were deposited on the p-n heterojunction. The incorporation of Au-Cu on the interface of the dyad enhances light absorption over broad regime, charge separation, and migration. Au-Cu with 1:1 ratio (with an average particle size of 1.2 nm) loaded p-n hetrojunction (TBCAC-1:1) shows excellent photocurrent enhancement (approximately 4.4-folds) in the cathodic direction as compared to their monometallic plasmonic counterpart. Additionally, the catalyst shows photocurrent at zero biased potential as well as lower onset potential as compared to the other alloy. TBCAC-1:1 photocatalyst could able to produce 2150 mu mol h(-1)g(-1) of hydrogen, which is (approximately 3-folds) as compared to their monometallic counterparts. The hydrogen evolution process for Au-Cu (1:1) system was found to be governed by the charge distribution which dictates the binding preference of the Au and Cu sites leading to the water splitting as investigated by DFT calculation. The excellent hydrogen generation by the photocatalyst links to the synergistic effect between Au and Cu associated with the hot electron photochemistry due to surface plasmon resonance phenomenon. (C) 2022 Published by Elsevier B.V.
}, keywords = {Doped carbon nitride, hydrogen production, LSPR, P-n junction, Photocatalysis, Plasmonic alloy}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2022.164754}, author = {Babu, Pradeepta and Dash, Soumya Ranjan and Parida, Kulamani} } @article {48394, title = {Mechanistic modeling of continuous capture step purification of biosimilar monoclonal antibody therapeutic}, journal = {Journal of Chemical Technology and Biotechnology}, volume = {97}, year = {2022}, month = {SEP}, pages = {2404-2419}, type = {Article}, abstract = {
{BACKGROUND Continuous multicolumn Protein A chromatography offers various advantages for capture stage purification of monoclonal antibody therapeutics, like higher productivity and resin capacity utilization, lower buffer consumption, small footprint, etc. Due to the complexity of the continuous process, experimental optimization is time-consuming and cost-intensive. This investigation proposes a hybrid process development approach integrating experimental and mechanistic modeling for time- and cost-effective development and optimization of continuous Protein A affinity chromatography. RESULTS Productivity and capacity utilization of the continuous CaptureSMB process under varying operating conditions were predicted using the Chromatography Analysis and Design Toolkit (CADET) framework and validated with experimental results. Effects of critical process parameters like feed concentration (c(0)), loading breakthrough (s) and residence time (RT) on productivity and capacity utilization were evaluated. Model predictions were validated using the experimental results proving the reliability and feasibility of the modeling approach. At 15.00 +/- 0.20 mg mL(-1) feed model mAb concentration, the model-based approach predicted the best performance giving 27.56 g L-1 h(-1) productivity (RT = 2 min
}, keywords = {CaptureSMB, continuous chromatography, Mathematical modeling, Protein A, simulation}, issn = {0268-2575}, doi = {10.1002/jctb.6922}, author = {Deulgaonkar, Prashant and Bhambure, Rahul and Prasad, Bhaskarjyoti and Mishra, Ashok and Tiwari, Sanjay and Mody, Rustom} } @article {47899, title = {Mechanistically guided one pot synthesis of phosphine-phosphite and its implication in asymmetric hydrogenation}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {JAN}, pages = {e202101447}, type = {Article}, abstract = {
Although hybrid bidentate ligands are known to yield highly enantioselective products in asymmetric hydrogenation (AH), synthesis of these ligands is an arduous process. Herein, a one pot, atom-economic synthesis of a hybrid phosphine-phosphite (L1) is reported. After understanding the reactivity difference between an 0-nucleophile versus C-nucleophile, one pot synthesis of Senphos (L1) was achieved (72\%). When L1 was treated with [Rh], P-31 NMR revealed bidentate coordination to Rh. Senphos, in the presence of rhodium, catalyzes the AH of Methyl-2-acetamido-3-phenylacrylate and discloses an unprecedented turn over frequency of 2289, along with excellent enantio-selectivity (92\%). The generality is demonstrated by hydrogenating an array of alkenes. The AH operates under mild conditions of 1-2 bar H-2 pressure, at room temperature. The practical relevance of Ll is demonstrated by scaling-up the reaction to 1 g and by synthesizing DOPA, a drug widely employed for the treatment of Parkinson{\textquoteright}s disease. Computational insights indicate that the R isomer is preferred by 3.8 kcal/mol over the S isomer.
}, keywords = {asymmetric hydrogenation, catalysis, DOPA synthesis, One pot synthesis, Phosphine-phosphite ligand}, issn = {1434-193X}, doi = {10.1002/ejoc.202101447}, author = {Sen, Anirban and Kumar, Rohit and Pandey, Swechchha and Raj, K. Vipin and Kumar, Pawan and Vanka, Kumar and Chikkali, Samir H.} } @article {48127, title = {Metagenomic mining of Indian river confluence reveal functional microbial community with lignocelluloytic potential}, journal = {3 Biotech}, volume = {12}, year = {2022}, month = {JUN}, pages = {132}, type = {Article}, abstract = {
Microbial carbohydrate-active enzymes (CAZyme) can be harnessed for valorization of Lignocellulosic biomass (LCB) to value-added chemicals/products. The two Indian Rivers Ganges and the Yamuna having different origins and flow, face accumulation of carbon-rich substrates due to the discharge of wastewater from adjoining paper and pulp industries, which could potentially contribute to the natural enrichment of LCB utilizing genes, especially at their confluence. We analyzed CAZyme diversity in metagenomic datasets across the sacred confluence of the Rivers Ganges and Yamuna. Functional annotation using CAZyme database identified a total of 77,815 putative genes with functional domains involved in the catalysis of carbohydrate degradation or synthesis of glycosidic bonds. The metagenomic analysis detected similar to 41\% CAZymes catalyzing the hydrolysis of lignocellulosic biomass polymers- cellulose, hemicellulose, lignin, and pectin. The Beta diversity analysis suggested higher CAZyme diversity at downstream region of the river confluence, which could be useful niche for culture-based studies. Taxonomic origin for CAZymes revealed the predominance of bacteria (97\%), followed by archaea (1.67\%), Eukaryota (0.63\%), and viruses (0.7\%). Metagenome guided CAZyme diversity of the microflora spanning across the confluence of Ganges-Yamuna River, could be harnessed for biomass and bioenergy applications.
}, keywords = {CAZymes, Confluence (Sangam), Lignocellulosic, River Ganges, River Yamuna}, issn = {2190-572X}, doi = {10.1007/s13205-022-03190-7}, author = {Rajput, Vinay and Samson, Rachel and Yadav, Rakeshkumar and Dastager, Syed and Khairnar, Krishna and Dharne, Mahesh} } @article {48042, title = {Metal- and light-free direct C-3 ketoalkylation of quinoxalin-2(1H)-ones with cyclopropanols in aqueous medium}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {OCT}, pages = {e202203597}, type = {Article}, abstract = {
Direct oxidative C-3 ketoalkylation of quinoxalin-2(1H)-ones with cyclopropanols using ammonium persulfate in an aqueous medium has been achieved in a moderate to good yield. The reaction does not require metals, light-source, or catalysts to facilitate the reaction and could be efficiently utilized to construct a wide range of biologically relevant 3-ketoalkylated quinoxalin-2(1H)-ones.
}, keywords = {aqueous medium, cyclopropanols, ketoalkylation, metal-free, quinoxalin-2(1H)-ones}, issn = {2365-6549}, doi = {10.1002/slct.202203597}, author = {More, Devidas A. and Mujahid, M. and Muthukrishnan, M.} } @article {48024, title = {Metal-free access to hindered N-alkyl sulfoximines via in-situ generated Aza-oxyallyl cations from functionalized alkyl bromide}, journal = {Asian Journal of Organic Chemistry}, volume = {11}, year = {2022}, month = {JUL}, pages = {e202200210}, type = {Article}, abstract = {
Herein, we report a catalyst-free and mild synthetic method for the construction of hindered N-alkyl sulfoximines derivative. A wide range of hindered di-alkyl sulfoximines can be readily obtained from the reaction of alpha-bromo-hydroxamates with a variety of sulfoximines, including diaryl, aryl-alkyl, di-alkyl and heteroaryl sulfoximines.
}, keywords = {alpha-Bromo hydroxamates, Aza-oxyallyl cations, Di-alkyl sulfoximines, metal-free, Sulfoximines}, issn = {2193-5807}, doi = {10.1002/ajoc.202200210}, author = {More, Satish G. and Mane, Kishor D. and Suryavanshi, Gurunath} } @article {47997, title = {Metal-free aminocarbonylation of p-quinone methides with isocyanides: synthesis of sterically hindered alpha-arylated acetamides}, journal = {Chemistry-an Asian Journal}, volume = {17}, year = {2022}, month = {OCT}, pages = {e202200642}, type = {Article}, abstract = {
The synthesis of sterically hindered alpha-arylated acetamides generally requires a multistep reaction sequence and is also difficult to access due to steric constraints. This protocol allows the synthesis of sterically hindered alpha-arylated acetamides in moderate to high yields via 1,6-addition of isocyanides to p-quinone methides in the presence of BF3 center dot OEt2. The present transformation features transition metal-free conditions, avoiding the use of toxic carbon monoxide, broad substrate scope, mild reaction conditions, and operational simplicity.
}, keywords = {Aminocarbonylation, Isocyanide, p-Quinone methide, Sterically Hindered alpha-Arylated Acetamides}, issn = {1861-4728}, doi = {10.1002/asia.202200642}, author = {Shirsath, Sachin R. and More, Devidas A. and Muthukrishnan, M.} } @article {48034, title = {Metal-free approach towards efficient synthesis of FDCA using a p-toluene sulfonic acid (p-TSA)-derived heterogeneous solid acid catalyst and oxone over two steps from HMF, fructose and glucose}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {MAY}, pages = {10272-10279}, type = {Article}, abstract = {
In this work, a metal-free approach towards the synthesis of 2,5-furandicarboxylic acid (FDCA) from 5-hydroxymethylfurfural (HMF), fructose and glucose is reported over two steps using a p-toluene sulfonic acid (p-TSA)-derived heterogeneous solid acid catalyst (p-TSA-POM) in the first step and oxone as an oxidant in the second step. HMF, fructose and glucose were converted to 2,5-diformylfuran (DFF) using the p-TSA-POM catalyst followed by oxidation of DFF to FDCA using oxone. To the best of our knowledge, this is the first metal-free approach for the synthesis of FDCA directly from glucose. DFF was obtained from HMF in 91\% yield, whereas it was obtained in 85\% and 61\% yields from fructose \& glucose, respectively. DFF was further converted to FDCA using oxone as an oxidant. FDCA was obtained in an overall yield of 84\%, 78\% and 56\% from HMF, fructose \& glucose, respectively.
}, issn = {1144-0546}, doi = {10.1039/d2nj01207c}, author = {Tamboli, Asma T. Biradar and Kirdant, Swapnali P. and Jadhav, Vrushali H.} } @article {47984, title = {Methanol-to-light olefins reaction using Zn-Ag modified SSZ-13 catalyst}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {SEP}, pages = {e202201476}, type = {Article}, abstract = {
The 2 wt.\% of Zn and Ag (Zn1-x-Ag-x; x=0.2, 0.4, 0.6 \%) modified SSZ-13 (SZ-13) zeolite was prepared by wet-impregnation method, and its catalytic activity was demonstrated for methanol-to-olefin (MTO). The Zn-0.6-Ag-0.4/SZ-13 catalyst exhibited high catalytic activity due to change in properties of catalyst. The Zn particles were highly dispersed inside the SZ-13; while Ag particles were dispersed on the surface of SZ-13, confirmed by HRTEM and surface area. The small \% of Ag over SZ-13 promotes ethylene production via aromatization of reaction, and highly dispersed Zn on SZ-13 help to produce stable ethylene and propylene. The Zn-0.6-Ag-0.4/SZ-13 catalyst showed (similar to 10 \%) higher light olefin (87 \%) selectivity than parent SZ-13 as well as mono metal incorporated SZ-13. The higher catalytic activity was attributed due to effect of both metals (Zn and Ag), where Ag promotes partial aromatization on the surface, and Zn increases the Lewis acidity in the zeolite pore. This catalyst can help to improve the selectivity of light olefin using MTO reaction.
}, keywords = {Ethylene, Methanol-to-Olef, Propyl, Silver, SSZ, zinc}, issn = {2365-6549}, doi = {10.1002/slct.202201476}, author = {Dange, Rutvija M. and Gawali, Chirag B. and Niphadkar, Prashant S. and Bokade, Vijay V. and Nandanwar, Sachin U.} } @article {47990, title = {MgB2/NaNO2-PVA free-standing polymer composite film as a green firework: a step towards environmental sustainability}, journal = {Bulletin of Materials Science}, volume = {45}, year = {2022}, month = {SEP }, pages = {175}, type = {Article}, abstract = {
We have demonstrated a simple fabrication methodology of free-standing polymer composite film firework that sparkles, provides colour display and moderate sound, yet is less polluting. The polymer composite film fireworks are composed of magnesium boride (MgB2), sodium nitrite (NaNO2) and poly(vinyl alcohol) (PVA). This study also suggested that a flammable, explosive powder composition can be made of two very common inorganic precursors, mainly NaNO2 and MgB2 . This is the first report demonstrating composite film fireworks with new flammable composition using metal boride as a primary precursor, which can also be used in conventional fireworks fabrication, replacing the traditional fuel, mainly gunpowder. The film fireworks were free from charcoal, sulphur, metal powder and paper. Therefore, they substantially lower the odour and COx, NOx, emissions and minimize the substantial trash generated when burned. Most importantly, film firework{\textquoteright}s minimum ignition temperature and exothermic decomposition temperature are much higher than the ambient temperature; hence are safe to handle.
}, keywords = {Firework, free-standing film, magnesium boride (MgB2), poly(vinyl alcohol) (PVA), sodium nitrite (NaNO2)}, issn = {0250-4707}, doi = {10.1007/s12034-022-02756-8}, author = {Jeyavani, Vijayakrishnan and Kumar, Rajendra and Joy, Pattayil Alias and Mukherjee, Shatabdi Porel} } @article {48021, title = {Microwave-assisted selective N-alkylation of aniline over molybdenum supported catalyst}, journal = {Catalysis Communications}, volume = {168}, year = {2022}, month = {AUG}, pages = {106464}, type = {Article}, abstract = {
Selective N-alkylation of aniline is a tough and challenging reaction due to over alkylation, therefore, catalyst with specific characteristics is needed to accomplish such transformations. In this work, a series of catalysts with molybdenum supported on alumina are prepared and subjected to various reaction conditions, out of which 30 PMA (Phosphomolybdic acid) showed the best result due to its proper combination of acidic sites. This reaction is sustainable and environmentally friendly as it is carried out with methanol as an alkylating source in the presence of microwave radiation at low temperature. The reaction data was compared with various other reactor systems too.
}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106464}, author = {Bhatkar, Akash and Mane, Samruddhi and Mekala, Siva Prasad and Gogoi, Pranjal and Mohapatra, Gourab and Ramakrishnan, Archana and Marimuthu, Prabu and Thirumalaiswamy, Raja} } @inbook {47812, title = {Molecular determinants of GPCR pharmacogenetics: deconstructing the population variants in β2-adrenergic receptor}, booktitle = {Advances in Protein Chemistry and Structural Biology}, volume = {128}, year = {2022}, month = {JAN}, pages = {361-396}, type = {Article}, abstract = {
G protein-coupled receptors (GPCRs) are membrane proteins that play a central role in cell signaling and constitute one of the largest classes of drug targets. The molecular mechanisms underlying GPCR function have been characterized by several experimental and computational methods and provide an understanding of their role in physiology and disease. Population variants arising from nsSNPs affect the native function of GPCRs and have been implicated in differential drug response. In this chapter, we provide an overview on GPCR structure and activation, with a special focus on the β2-adrenergic receptor (β2-AR). First, we discuss the current understanding of the structural and dynamic features of the wildtype receptor. Subsequently, the population variants identified in this receptor from clinical and large-scale genomic studies are described. We show how computational approaches such as bioinformatics tools and molecular dynamics simulations can be used to characterize the variant receptors in comparison to the wildtype receptor. In particular, we discuss three examples of clinically important variants and discuss how the structure and function of these variants differ from the wildtype receptor at a molecular level. Overall, the chapter provides an overview of structure and function of GPCR variants and is a step towards the study of inter-individual differences and personalized medicine.
}, isbn = {9780323988957}, doi = {10.1016/bs.apcsb.2021.08.002}, author = {Joshi, Manali and Nikte, Siddhanta and Sengupta, Durba} } @article {47118, title = {Molecular elucidation of pancreatic elastase inhibition by baicalein}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {40}, year = {2022}, month = {JUL}, pages = {5759-5768}, type = {Article}, abstract = {
The serine protease, elastase exists in various forms and plays diverse roles in the human body. Pharmacological inhibition of elastase has been investigated for its therapeutic role in managing conditions such as diabetes, pneumonia and arthritis. Sivelestat, a synthetic molecule, is the only elastase inhibitor to have been approved by any major drug regulatory authority (PMDA, in this case) - but still has failed to attain widespread clinical usage owing to its high price, cumbersome administration and obscure long-term safety profile. In order to find a relatively better-suited alternative, screening was conducted using plant flavonoids, which yielded baicalein, a molecule that showed robust inhibition against Pancreatic Elastase inhibition (IC50: 3.53 mu M). Other than having a considerably lower IC(50)than sivelestat, baicalein is also cheaper, safer and easier to administer. While MicroScale Thermophoresis validated baicalein-elastase interaction, enzyme-kinetic studies, molecular docking and molecular dynamic simulation revealed the mode of inhibition to be non-competitive. Baicalein exhibited binding to a distinct allosteric site on the enzyme. The current study demonstrates the elastase inhibition properties of baicalein in an in-vitro and in-silico environment.
}, keywords = {Baicalein, elastase, Enzyme inhibition, molecular interaction, sivelestat}, issn = {0739-1102}, doi = {10.1080/07391102.2021.1873189}, author = {Ghosh, Debajeet and Bansode, Sneha and Joshi, Rakesh and Kolte, Baban and Gacche, Rajesh} } @article {47986, title = {Molecular mechanisms underlying caveolin-1 mediated membrane curvature}, journal = {Journal of Membrane Biology}, volume = {255}, year = {2022}, month = {JUN}, pages = {225-236}, type = {Article}, abstract = {
Caveolin-1 is one of the main protein components of caveolae that acts as a mechanosensor at the cell membrane. The interactions of caveolin-1 with membranes have been shown to lead to complex effects such as curvature and the clustering of specific lipids. Here, we review the emerging concepts on the molecular interactions of caveolin-1, with a focus on insights from coarse-grain molecular dynamics simulations. Consensus structural models of caveolin-1 report a helix-turn-helix core motif with flanking domains of higher disorder that could be membrane composition dependent. Caveolin-1 appears to be mainly surface-bound and does not embed very deep in the membrane to which it is bound. The most interesting aspect of caveolin-1 membrane binding is the interplay of cholesterol clustering and membrane curvature. Although cholesterol has been reported to cluster in the vicinity of caveolin-1 by several approaches, simulations show that the clustering is maximal in membrane leaflet opposing the surface-bound caveolin-1. The intrinsic negative curvature of cholesterol appears to stabilize the negative curvature in the opposing leaflet. In fact, the simulations show that blocking cholesterol clustering (through artificial position restraints) blocks membrane curvature, and vice versa. Concomitant with cholesterol clustering is sphingomyelin clustering, again in the opposing leaflet, but in a concentration-dependent manner. The differential stress due to caveolin-1 binding and the inherent asymmetry of the membrane leaflets could be the determinant for membrane curvature and needs to be further probed. The review is an important step to reconcile the molecular level details emerging from simulations with the mesoscopic details provided by state of the art experimental approaches. [GRAPHICS] .
}, keywords = {Cholesterol clustering, Membrane curvature, Protein-lipid interactions}, issn = {0022-2631}, doi = {10.1007/s00232-022-00236-y}, author = {Prakash, Shikha and Malshikare, Hrushikesh and Sengupta, Durba} } @article {47391, title = {Molecular phylogeny, structure modeling and in silico screening of putative inhibitors of aerolysin of Aeromonas hydrophila EUS112}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {40}, year = {2022}, month = {JUN}, type = {Article}, abstract = {
Aeromonas hydrophila, a Gram-negative bacterium, causes diseases in fish, resulting in excessive loss to the aquaculture industry. Aeromonas is a highly heterogeneous group of bacteria, and the heterogeneity of the genus is attributed to variation and diversity in the virulence factors and toxins among various Aeromonas strains. One of the major toxins aerolysin, secreted by the bacterium, causes hemorrhagic-septicemia and diarrhea and can serve as a drug target. Here, we describe characterization, molecular phylogeny, and homology modeling of the aerolysin of A. hydrophila strain EUS112 (Ah(EUS112)) cloned in our lab. The encoded aerolysin is 485 amino acids long with an N-terminal signal sequence of 23 amino acids. Phylogenetic analysis of the aerolysin of Ah(EUS112) revealed that it belongs to a diverse group of toxins, showing maximum similarity with aerolysins of other Aeromonas strains followed by Vibrio toxin. The homology model of the mature aerolysin of Ah(EUS112) was generated using the crystal structure of a mutant aerolysin (PDB\#3g4n) as the template, which showed that the encoded aerolysin exists as a channel protein. Validation of the generated model using bioinformatics tool confirmed it to be a good quality model that can be used for drug design. Molecular dock analysis revealed that drugs, aralia-saponin I, cyclamin, ardisiacrispin B, and aralia-saponin II bind to aerolysin with a higher affinity as compared to other drugs and at functionally important amino acids of aerolysin. Hence, these molecules can act as an effective therapeutics for inhibiting the aerolysin pore formation and curtail the severity of Aeromonas infection. Communicated by Ramaswamy H. Sarma
}, keywords = {Aerolysin, homology modeling, Molecular docking, Molecular dynamic simulation, phylogenetic tree}, issn = {0739-1102}, doi = {10.1080/07391102.2021.1918254, Early Access Date = APR 2021}, author = {Yadav, Sunita Kumari and Panwar, Deepak and Singh, Ankita and Tellis, Meenakshi B. and Joshi, Rakesh Shamsunder and Dixit, Aparna} } @article {48141, title = {Monomeric magnesium catalyzed alkene and alkyne hydroboration}, journal = {Chemistry-A European Journal}, volume = {28}, year = {2022}, month = {OCT }, type = {Article}, abstract = {
In this work, two monomeric magnesium alkyl complexes (1 and 2) were prepared using bis(phosphino)carbazole framework and among them 1 has been used as a catalyst for hydroboration of alkenes and alkynes with pinacolborane (HBpin). A broad variety of aromatic and aliphatic alkenes and alkynes were efficiently reduced. Anti-Markovnikov regioselective hydroboration of alkenes and alkynes was achieved, which was confirmed by deuterium-labelling experiments. The work represents the first example of the use of magnesium in homogeneous catalytic hydroboration of alkene with broad substrate scope. Experimental mechanistic investigations and DFT calculations provided insights into the reaction mechanism. Finally, the hydroboration protocol was extended to terpenes.
}, keywords = {carbazole, Magnesium, monomeric complexes, phosphorous, X-ray Structure}, issn = {0947-6539}, doi = {10.1002/chem.202201896}, author = {Kumar, Rohit and Dutta, Sayan and Sharma, Vishal and Singh, Praval P. and Gonnade, Rajesh G. and Koley, Debasis and Sen, Sakya S.} } @article {48157, title = {Morphology-tuned Pt3Ge accelerates water dissociation to industrial-standard hydrogen production over a wide pH range}, journal = {Advanced Materials}, volume = {34}, year = {2022}, month = {JUL}, pages = {2202294}, type = {Article}, abstract = {
The discovery of novel materials for industrial-standard hydrogen production is the present need considering the global energy infrastructure. A novel electrocatalyst, Pt3Ge, which is engineered with a desired crystallographic facet (202), accelerates hydrogen production by water electrolysis, and records industrially desired operational stability compared to the commercial catalyst platinum is introduced. Pt3Ge-(202) exhibits low overpotential of 21.7 mV (24.6 mV for Pt/C) and 92 mV for 10 and 200 mA cm(-2) current density, respectively in 0.5 m H2SO4. It also exhibits remarkable stability of 15 000 accelerated degradation tests cycles (5000 for Pt/C) and exceptional durability of 500 h (@10 mA cm(-2)) in acidic media. Pt3Ge-(202) also displays low overpotential of 96 mV for 10 mA cm(-2) current density in the alkaline medium, rationalizing its hydrogen production ability over a wide pH range required commercial operations. Long-term durability (\>75 h in alkaline media) with the industrial level current density (\>500 mA cm(-2)) has been demonstrated by utilizing the electrochemical flow reactor. The driving force behind this stupendous performance of Pt3Ge-(202) has been envisaged by mapping the reaction mechanism, active sites, and charge-transfer kinetics via controlled electrochemical experiments, ex situ X-ray photoelectron spectroscopy, in situ infrared spectroscopy, and in situ X-ray absorption spectroscopy further corroborated by first principles calculations.
}, keywords = {Electrochemistry, hydrogen production, intermetallics, water electrolysis}, issn = {0935-9648}, doi = {10.1002/adma.202202294}, author = {Mondal, Soumi and Sarkar, Shreya and Bagchi, Debabrata and Das, Tisita and Das, Risov and Singh, Ashutosh Kumar and Prasanna, Ponnappa Kechanda and Vinod, C. P. and Chakraborty, Sudip and Peter, Sebastian C.} } @article {48367, title = {Multi-purpose synthetic alpha-amino acid featuring coumarin and ureidopyrimidinone motifs on its backbone: Synthesis and peptide formation}, journal = {Tetrahedron Letters}, volume = {93}, year = {2022}, month = {MAR}, pages = {153695}, type = {Article}, abstract = {
Herein we report a synthetic a-amino acid featuring intensely fluorescent coumarin moiety and a strongly self-assembling ureidopyrimidinone (UPy) motif. This two-in-one synthetic amino acid, displaying both fluorescence and self-assembling property, has been synthesized in four easy steps starting from commercially available inexpensive starting materials. Suitably protected amino acid has been incorporated into various peptide sequences, following solution-phase peptide coupling protocols, to demonstrate its synthetic feasibility.(c) 2022 Elsevier Ltd. All rights reserved.
}, keywords = {Fluorescent amino acids, Fluorescent Peptides, Quadruple hydrogen bonding, Unnatural amino acids, Ureidopyrimidinone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2022.153695}, author = {Rashid, P. P. and Sanjayan, Gangadhar J.} } @article {48214, title = {MXenes: advances in the synthesis and application in supercapacitors and batteries}, journal = {Journal of Materials Research}, volume = {37}, year = {2022}, month = {NOV}, pages = {3865-3889}, type = {Review}, abstract = {
MXenes, the newest family member of the two-dimensional materials have been widely investigated for different applications, particularly in the energy storage realm. With regard to this, MXene precursors have attained widespread attention for the application in electrochemical energy storage devices especially supercapacitors and batteries. This review has comprehensively studied various synthesis strategies adopted for MXenes including the top-down and bottom-up approaches. The shift to renewable energy alternatives have focused on the electrochemical choices such as supercapacitors and batteries, the most common and relevant ones. Thus the application of MXenes and its composite in supercapacitors as electrodes have been analyzed along with its detailed mechanism and electrochemical performance. Several battery chemistries including lithium-ion, sodium-ion and other battery systems utilizing MXenes have also been discussed here. Thus the existing strategies, advancements, and drawbacks regarding the inclusivity of MXenes in the electrochemical energy systems of supercapacitors and batteries are reviewed in this article.
}, issn = {0884-2914}, doi = {10.1557/s43578-022-00770-4}, author = {Wasnik, Kundan and Pawar, Meenakshi D. and Raphael, Leya Rose and Pullanchiyodan, Abhilash and Shelke, V. Manjusha and Raghavan, Prasanth} } @article {47813, title = {Na-montmorillonite to Fe(II)-Mt using ferrous citrate/ascorbate obtained by dissolving iron powder}, journal = {Applied Clay Science}, volume = {217}, year = {2022}, month = {FEB}, pages = {106396}, type = {Article}, abstract = {Bentonite containing montmorillonite (Mt) as the major clay mineral is the potential buffer material of engineered barrier system in the deep geological repository for high-level waste management. The corrosion products of canister/or overpack material (carbon steel) may alter the basic characteristics of bentonite through Fe/clay interaction and formation of FeMt to certain extent. A convenient method is required for quantitative preparation of Fe(II)-Mt because the only few direct methods reported have some limitations. For this, weak ferrous complexes having good solubility to facilitate the cation-exchange with bentonite is essential. Therefore, Fe(II)-citrate, Fe(II)-ascorbate and Fe(II)-citrate/ascorbate were obtained here by dissolving the iron powder (Fe0) in citric acid (CA), ascorbic acid (AA) and their equimolar mixtures from 25~mM to 300~mM at 70~{\textdegree}C under N2 atmosphere. The redox potential was measured to monitor the dissolution of Fe0 in these mild organic acids. Higher dissolution of Fe0 occurred in CA~+~AA mixture. The dissolved iron in the form of ferrous complex was reasonably stable in inert atmosphere, Fe2+/Fetotal~≈~1. The parent clay mineral (bentonite, NaMt) was treated with Fe(II)~-~cit/asc to form Fe(II)~-~Mt. through cation exchange process. The CEC and ferrous to ferric ratio of the Fe(II)-Mt was close to the stoichiometric amount. The XRF, XRD, ac impedance, FT-IR, TGA/DSC, XPS and FE-SEM are used for further characterization. In-situ complexation reaction of interlayer Fe2+ ions in Fe(II)-Mt with o-phenanthroline was also observed.}, keywords = {Ascorbic acid, Bentonite, Citric acid, Cr(VI) reduction, Fe(II)-montmorillonite, Iron dissolution}, issn = {0169-1317}, doi = {10.1016/j.clay.2021.106396}, author = {S. Chikkamath and J. Manjanna and N. Momin and B.G. Hegde and G.P. Nayaka and Aishwarya S. Kar and B.S. Tomar} } @article {48139, title = {Nanocellulose/melanin-based composites for energy, environment, and biological applications}, journal = {Journal of Materials Science}, volume = {57}, year = {2022}, month = {AUG}, pages = {14188-14216}, type = {Review}, abstract = {
Melanins, a class of brown-black pigments present in many natural sources, exhibit unique physical and chemical properties such as photoprotection, photoconductivity, metal ion chelation, free radical quenching, proton conductivity, and significant antimicrobial properties. These properties could be leveraged in various environmental and energy applications. However, their limited solubility makes them less amenable to processing. Over the last decade, there has been tremendous interest in developing synthetic analogs of melanin that are easy to dissolve and process. Nonetheless, melanins or their synthetic analogs cannot form mechanically robust free-standing films and fibers. This drawback could be partly circumvented by creating composites of melanin with nanocellulose, a nanomaterial derived from cellulosic biomass. Composites of melanins and nanocellulose offer an opportunity to utilize the functional aspects of melanin-like polymers in a mechanically stable nanocellulose network. This review attempts to capture the recent developments on this topic with special emphasis on technologically relevant applications.
}, issn = {0022-2461}, doi = {10.1007/s10853-022-07512-1}, author = {Ram, Farsa and Yadav, Prashant and Shanmuganathan, Kadhiravan} } @article {47825, title = {Native state conformational heterogeneity in the energy landscape of protein folding}, journal = {Biophysical Chemistry}, volume = {283}, year = {2022}, month = {APR}, pages = {106761}, type = {Article}, abstract = {The native structure of proteins is central to various functions performed by cells. A vital part of the structure-function paradigm of proteins is their inherent flexibility and dynamics. The dynamic interconversion between the conformational substates in the heterogeneous native state basin of the energy landscape enables a single protein molecule to perform multiple functions. The dynamics among the substates are assisted by the motion of different structural elements of a protein out of which side-chains of amino acids hold a significant position due to their involvement in various functions such as molecular recognition and dynamic allostery. This review briefly describes the origin of conformational heterogeneity in the native state ensemble and the motions of different structural modules that assist the equilibrium dynamics of the conformational substates. The review then centers the discussion on conformational heterogeneity due to side-chain movements in proteins, the experimental methods to detect and characterize them and their role in performing multiple functions.}, keywords = {Conformational heterogeneity, Dry molten globules, Energy landscape model, Native state, Side-chain packing}, issn = {0301-4622}, doi = {10.1016/j.bpc.2022.106761}, author = {Mishra, Prajna and Jha, Santosh Kumar} } @article {48343, title = {Nickel-catalyzed direct synthesis of N-substituted indoles from amino alcohols and alcohols}, journal = {Organic Letters}, volume = {24}, year = {2022}, month = {DEC}, pages = {9054-9059}, type = {Article}, abstract = {
A one-pot cascade approach for the synthesis of N substituted indoles from amino alcohols and alcohols under additive and base-free conditions with the liberation of water as the only stoichiometric byproduct is reported. The commercially available bench-stable Ni(OTf)2 salt in combination with 1,2-bis(dicyclohexylphosphino)ethane (dcype) is very effective for this unprecedented catalytic transformation. A broad range of substrates including aromatic and aliphatic primary alcohols, cyclic and acyclic secondary alcohols, and various substituted 2-aminophenyl ethyl alcohols are employed in the reaction conditions to provide a diverse range of N-alkylated indoles. Mechanistic studies revealed that the reaction proceeds through tandem N-alkylation via hydrogen autotransfer followed by the cyclization of N-alkylated alcohol intermediate.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.2c03617}, author = {Yadav, Vinita and Jagtap, Sayali G. and Balaraman, Ekambaram and Mhaske, Santosh B.} } @article {48415, title = {Noble-metal-free heterojunction photocatalyst for selective CO2 reduction to methane upon induced strain relaxation}, journal = {ACS Catalysis}, volume = {12}, year = {2022}, month = {JAN }, pages = {687-697}, type = {Article}, abstract = {
Sunlight-driven CO2 hydrogenation has drawn tremendous attention. However, selective CH4 formation via CO2 photoreduction is very challenging. Herein, we report a metal oxide semiconductor heterojunction consisting of BiVO4 and WO3 as a photocatalyst for the efficient conversion of carbon dioxide (CO2) selectively to methane (105 mu mol g(-1) h(-1)) under visible light in the absence of a sacrificial agent. Wise selection of the reaction medium and the strategically tuned heterojunction upon strain relaxation suppresses the competitive hydrogen generation reaction. The detailed photophysical, photoelectrochemical, and X-ray absorption spectroscopy studies pointed to the Z-scheme mechanism of electron transfer, which favors superior electron and hole separation compared to the individual components of the composite catalyst and other well-known photocatalysts reported for CO2 reduction. The observations are further corroborated by experimental diffuse reflectance infrared Fourier transform spectroscopy and theoretical density-functional theory calculations, which reveal that the heterojunction has a lower free-energy barrier for CO2 conversion to CH4 due to the larger stabilization of the *CH2O intermediate on the strain-relaxed heterojunction surface, in comparison to the pristine BiVO4 surface. The present work provides fundamental insights for constructing high-performance heterojunction photocatalysts for the selective conversion of CO2 to desired chemicals and fuels.
}, keywords = {CO2 reduction, heterostructure, methane, Photocatalysis, Z-scheme}, issn = {2155-5435}, doi = {10.1021/acscatal.1c04587}, author = {Das, Risov and Sarkar, Shreya and Kumar, Ritesh and Ramarao, Seethiraju D. and Cherevotan, Arjun and Jasil, Mohammed and Vinod, Chathakudath P. and Singh, Abhishek Kumar and Peter, Sebastian C.} } @article {47770, title = {Novel 3-fluoro-4-morpholinoaniline derivatives: synthesis and assessment of anti-cancer activity in breast cancer cells}, journal = {Journal of Molecular Structure}, volume = {1253}, year = {2022}, month = {APR }, pages = {132127}, type = {Article}, abstract = {Heterocyclic morpholine compounds are well-known for their anti-cancer activity. In this study, novel morpholine and its sulfonamide derivatives were designed and synthesized as potential anti-tumor agents. The new compounds were obtained from amine derivatives via nucleophilic addition reactions, providing the desired products in 70 to 90\% yield. The docking analysis was performed for all thirty-one compounds. Out of them, we represent the docking poses for compounds NAM-5 and NAM-7 as representatives. After docking analysis, compounds NAM-5 and NAM- 7 were tested for in vitro antitumor activity against breast cancer cell lines (MCF-7 and MDA-MB-231) and healthy mouse embryonic fibroblast cell line (3T3L-1). Amongst these, sulfonamide group-containing compound NAM-5 showed significant anti-proliferative activity with IC50 of 1.811 mu M and 2.143 mu M for MCF-7 and MDA-MB-231 cells, respectively. On the other hand, NAM-7 showed good anti-proliferative activity against MCF-7 (IC50 1.883 mu M) but slightly lower activity against MDA-MB-231 cells (IC50 4.688 mu M). The activity of both the compound was also tested on 3T3L-1 Cell line which showed activity similar to clinically approved anti-cancer drug doxorubicin (DOX). The cell death analysis by flow-cytometry confirmed apoptosis mediated cell death in 3T3L-1, MCF-7 and MDA-MB-231 cells when treated with the NAM-5 and NAM-7, respectively. The results demonstrated that the synthesized sulfonamide derivatives have significant potential as anti-cancer agents and have a substantial importance in cancer therapeutics with favourable safety profile. Structural analysis of docked poses of sulfonamide derivatives attempts to shed light on the structural basis of sulfonamide derivatives based anti-cancer effect. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Anticancer activity, Apoptosis, Breast cancer, Heterocyclic compounds, Morpholine, Sulfonamide}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2021.132127}, author = {More, Namita A. and Jadhao, Nitin L. and Meshram, Rohan J. and Tambe, Prajakta and Salve, Rajesh A. and Sabane, Jagjivan K. and Sawant, Sanskruti N. and Gajbhiye, Virendra and Gajbhiye, Jayant M.} } @article {48175, title = {Novel crystal forms of Entresto: a supramolecular complex of trisodium sacubitril/valsartan hemi-pentahydrate}, journal = {Crystengcomm}, volume = {24}, year = {2022}, month = {OCT}, pages = {7387-7393}, type = {Article}, abstract = {
Entresto is a salt-cocrystal supramolecular complex with the chemical name trisodium sacubitril/valsartan hemi-pentahydrate for treating chronic heart failure and was approved by the US FDA in 2015. This multidrug complex was synthesized in our laboratory to investigate its polymorphic behavior. Different crystallization conditions, including various solvent systems, yielded different novel solid forms of Entresto (Form-I to Form-VI), including the reported form. All the novel solids are solvent-dependent and were reproducibly crystallized on a 10 g scale quantity. The 1H NMR spectra confirmed the 1 : 1 stoichiometry of the two drugs, namely, sacubitril and valsartan, in all the solid forms of the crystalline products. Powder X-ray diffraction and DSC analysis of the crystalline solids established that they are distinct crystalline forms. Stability studies under ambient conditions carried out over a one-year period showed higher stability for Form-I and Form-III compared to the other forms, including the innovator crystal form (labelled as Form-II). The novel crystal forms (notably Form-I and Form-III) exhibit higher stability and less hygroscopicity than the reported Form-II.
}, doi = {10.1039/d2ce01009g}, author = {Shaikh, Tabrez R. and George, Christy P. and Bhukya, Priyanka and Shelke, Nikita and Pawar, Komal and Garai, Abhijit and Dandela, Rambabu and Gonnade, Rajesh G. and Nangia, Ashwini K.} } @article {47593, title = {Novel lignin as natural-biodegradable binder for various sectors-A review}, journal = {Journal of Applied Polymer Science}, volume = {139}, year = {2022}, month = {APR }, pages = {e51951}, type = {Review}, abstract = {Lignin functions as an essential polymer in plants that forms the plant body{\textquoteright}s structural framework. The natural glue holds the cellulosic fibers together in the plant body, thereby providing rigidity and strength. Despite this, lignin shows promising relevance for biomaterial production due to its abundance, nontoxic nature and biodegradability. Considerably, adhesive components were derived from petroleum, which is increasingly more expensive. Hence, lignin, the natural glue in plant materials, gained much popularity because of its phenolic nature, making it an attractive substitute for adhesives. Lignin-based binders are produced through phenols substitution in phenol-formaldehyde resins with lignin due to their similar structural framework. Many researchers have confirmed the multifunctional applications of lignin, such as wood adhesive in fiber board, plywood and particleboard, a binder in printed wiring boards, abrasive tools, epoxy asphalts, epoxy wood composites, 3D printing, adhesive hydrogels, soil suppressants, lignocellulosic paper and coatings. This review presents a comprehensive description of the utilization of lignin-based binders for different applications. The present work highlights the discussion on the various methods by which lignin can be used to replace synthetic binders. This review focuses on global research work introducing lignin in different chemical adhesives for a more cost-effective and less harmful alternative.}, keywords = {binder, biodegradable, lignin, multifunctional}, issn = {0021-8995}, doi = {10.1002/app.51951}, author = {Mili, Medha and Hashmi, Sayed Azhar Rasheed and Ather, Madeeha and Hada, Vaishnavi and Markandeya, Nishant and Kamble, Sanjay and Mohapatra, Mamata and Rathore, Sanjai Kumar Singh and Srivastava, Avanish Kumar and Verma, Sarika} } @article {47814, title = {Novel pharmaceutical cocrystal of apalutamide, a nonsteroidal antiandrogen drug: synthesis, crystal structure, dissolution, stress, and excipient compatibility}, journal = {Crystal Growth \& Design}, volume = {22}, year = {2022}, month = {JAN}, pages = {1130-1142}, abstract = {Apalutamide (APA), a second-generation nonsteroidal antiandrogen BCS Class II drug with poor solubility and high permeability. A novel 1:1 cocrystal of Apalutamide (APA) with methylparaben (MP) was identified by cooling crystallization during the cocrystal screening and characterized by various solid-state techniques, such as PXRD, DSC, TGA, FT-IR, and 13C solid-state CP-MAS NMR spectroscopy. The crystal structures of APA and its cocrystal (APA-MP) were determined by the SC-XRD technique. The crystal structure analysis of the APA-MP cocrystal revealed that the APA and MP molecules are connected through strong O{\textendash}H{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}O hydrogen bonds. The novel cocrystal improves the solubility and dissolution rate in different physiological conditions compared to poorly soluble APA due to strong hydrogen bond between the drug and the coformer. The cocrystal is stable (physically and chemically) under stress conditions, such as exposure to the relative humidity, mechanical grinding, open exposure to atmosphere at cRT (critical room temperature) and compression pressure of 10 tons. In addition, the compatibility of the cocrystal with excipients used in the drug product of APA (ERLEADA) was also investigated, and no disproportionation of cocrystal was observed.}, doi = {10.1021/acs.cgd.1c01087}, author = {Saladi, Venkata Narasayya and Kammari, Bal Raju and Mandad, Pratap Reddy and Krishna, Gamidi Rama and Sajja, Eswaraiah and Thirumali, Rajan S. and Marutapilli, Arthanareeswari and Mathad, Vijayavitthal T.} } @article {48142, title = {Nucleophilic substitution at a coordinatively saturated five-membered NHC center dot haloborane centre}, journal = {Inorganics}, volume = {10}, year = {2022}, month = {JUL}, pages = {97}, type = {Article}, abstract = {
In this paper, we have used a saturated five-membered N-Heterocyclic carbene (5SIDipp = 1,3-bis-(2,6-diisopropylphenyl)imidazolin-2-ylidine) for the synthesis of SNHC-haloboranes adducts and their further nucleophilic substitutions to put unusual functional groups at the central boron atom. The reaction of 5-SIDipp with RBCl2 yields Lewis-base adducts, 5-SIDipp center dot RBCl2 [R = H (1), Ph (2)]. The hydrolysis of 1 gives the NHC stabilized boric acid, 5-SIDipp center dot B(OH)(3) (3), selectively. Replacement of chlorine atoms from 1 and 2 with one equivalent of AgOTf led to the formation of 5-SIDipp center dot HBCl(OTf) (4) and 5-SIDipp center dot PhBCl(OTf) (5a), where all the substituents on the boron atoms are different. The addition of two equivalents of AgNO3 to 2 leads to the formation of rare di-nitro substituted 5-SIDipp center dot BPh(NO3)(2) (6). Further, the reaction of 5-SIDipp with B(C6F5)(3) in tetrahydrofuran and diethyl ether shows a frustrated Lewis pair type small molecule activated products, 7 and 8.
}, keywords = {NHC-haloboranes, nucleophilic substitution, saturated NHC, tetra-coordinate boron}, doi = {10.3390/inorganics10070097}, author = {Kundu, Gargi and Tothadi, Srinu and Sen, Sakya S.} } @article {47777, title = {One-pot concurrent biosynthesis of biphasic CuxO (cuprous and cupric oxide) nanoparticles using leaf extract of Eichhornia crassipes and investigation of their potent healthcare applications}, journal = {Emergent Materials}, year = {2022}, month = {FEB}, type = {Article}, abstract = {Eichhornia crassipes, an aquatic weed, has been used for the one-pot quick synthesis of cuprous and cupric oxide nanoparticles in this report. The identification and validation of the formed nanoparticles were successfully done by sophisticated characterization techniques such as UV{\textendash}visible spectroscopy, transmission electron microscopy (TEM), X-ray diffraction (XRD), and Fourier transform infrared (FTIR) spectroscopy. Their biomedical interventions were assessed by their antioxidant and anticancer activities. The synthesized nanoparticles have a spherical morphology with an average diameter of 10~nm. Antioxidant assay performed showed an increasing trend in a dose-dependent manner with the percentage radical scavenging activity up to 94.70\% at a much higher concentration of 1000~{\textmu}g/ml. The antioxidant potential at such higher concentration is suspected to invoke a change in the cytotoxic potential of the nanoparticles which is then verified by the MTT assay. A significant cytotoxic activity against HeLa (cervical cancer) and HCT 116 (colorectal carcinoma) cell lines was detected with noted IC50 values of 17.17 and 13.70~{\textmu}g/ml respectively. The conclusive findings obtained are enough to substantiate the use of these nanoparticles in biomedical areas specifically in anticancer treatment due to their high toxicities. The hazards imposed by Eichhornia crassipes can be alleviated by using them as biofactories for the synthesis of a variety of nanomaterials. This helps in curbing the water pollution issues as well as the developing synthesis protocols for robust and stable nanoparticles.}, isbn = {2522-574X}, doi = {10.1007/s42247-022-00347-1}, url = {https://doi.org/10.1007/s42247-022-00347-1}, author = {Moudgil, Aliesha and Varma, Sanjana and Shinde, Manish D. and Vamkudoth, Koteswara Rao and Sarkar, Dhiman M. and Shende, Rajnigandha A. and Amalnerkar, Dinesh and Chaudhari, Bhushan P.} } @article {48167, title = {On-off infrared absorption of the S=O vibrational probe of dimethyl sulfoxide}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {JUN}, pages = {4501-4508}, type = {Article}, abstract = {
Dimethyl sulfoxide (DMSO), a polar solvent molecule, is used in a wide range of therapeutic and such as dimerization and hydrogen bonding with water, are crucial to understanding the role of DMSO in applications. Herein, we study DMSO in various solvation environments to decipher the environment-dependent dimerization and hydrogen-bonding propensity. We use a combination of infrared spectroscopy, quantum mechanical calculations, and molecular dynamics simulations to reach our conclusions. Although DMSO can exist in a dynamic equilibrium between monomers and dimers, our results show that the relative intensity of the S=O stretch and the CH3 rocking modes is a spectroscopic indicator of the extent of DMSO dimerization in solution. The dimerization (self-association) is seen to be maximum in neat DMSO. When dissolved in different solvents, the dimerization propensity decreases with increasing solvent polarity. In the presence of a protic solvent, such as water, DMSO forms a hydrogen bond with the solvent molecules, thereby reducing the extent of dimerization. Further, we estimate the hydrogen-bond occupancy of DMSO. Our results show that DMSO predominantly exists as doubly hydrogen-bonded in water.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c105584501J}, author = {Chakrabarty, Suranjana and Deshmukh, Samadhan H. and Barman, Anjan and Bagchi, Sayan and Ghosh, Anup} } @article {47991, title = {Optimization of Liquid Organic Hydrogen Carrier (LOHC) dehydrogenation system}, journal = {International Journal of Hydrogen Energy}, volume = {47}, year = {2022}, month = {AUG}, pages = {28530-28547}, type = {Article}, abstract = {
In this paper, the perhydrodibenzyltoluene dehydrogenation flowsheet has been simulated. Modelling of the dehydrogenation reactor has been performed using the 1-D model. External and internal mass transfer resistances are also considered. Non-isothermal pellet condition has been considered for simulating the dehydrogenation reactor. The flowsheet simulation has been carried out in DW-Sim v 6.5.2 integrated with the reactor model coded in Python. NET. The dehydrogenation reactor is operated at a feed temperature between 523 K -613 K, a wall temperature of 623 K and 653 K, and a reactor pressure maintained at 1.2 atm. The amount of catalyst required for the perhydrodibenzyltoluene (PDBT) dehy-drogenation reactor is evaluated such that the conversion reaches 99\%. The process flowsheet has been simulated to produce 10 Nm(3)/hr of industrial-grade hydrogen. The effects of feed temperature, wall temperature, and hydrogen burner efficiency on various system requirements, including catalyst weight, energy supplied to the dehydrogenation reactor, areas of the heat exchanger, and hydrogen production from the reactor, have been discussed. Preliminary cost optimization based on the heat exchangers and catalyst at various feed temperatures, reactor wall temperature, and hydrogen burner efficiency has been carried out. (C) 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Dehydrogenation, DWSim, LOHC, Perhydrodibenzyltoluene, Python, simulation}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2022.06.197}, author = {Rao, Nihal and Lele, Ashish K. and Patwardhan, Ashwin W.} } @article {48409, title = {Overview of erythritol production by yeast strains}, journal = {Fems Microbiology Letters}, volume = {369}, year = {2022}, month = {NOV}, pages = {fnac107}, type = {Review}, abstract = {
Erythritol is a 4-carbon polyol produced with the aid of microbes in presence of hyper-osmotic stress. It is the most effective sugar alcohol that is produced predominantly by fermentation. In comparison to various polyols, it has many precise functions and is used as a flavor enhancer, sequestrant, humectant, nutritive sweetener, stabilizer, formulation aid, thickener, and a texturizer. Erythritol production is a common trait in a number of the yeast genera viz., Trigonopsis, Candida, Pichia, Moniliella, Yarrowia, Pseudozyma, Trichosporonoides, Aureobasidium, and Trichoderma. Extensive work has been carried out on the biological production of erythritol through Yarrowia, Moniliella, Candida, and other yeast strains, and numerous strategies used to improve erythritol productivity through mutagenesis and genetic engineering are discussed in this review.
}, keywords = {Erythritol, erythrose reductase, hyperosmotic stress response, metabolic pathways, Yeast, yeast expression}, issn = {0378-1097}, doi = {10.1093/femsle/fnac107}, author = {Khatape, Anil B. and Dastager, Syed G. and Rangaswamy, Vidhya} } @article {48086, title = {Palladium mediated selective cleavage of benzyl and allyl phosphates: a convenient non-hydrogenolytic method for the synthesis of phosphates and phospholipids.}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {JUL }, pages = {e202201167}, type = {Article}, abstract = {
Palladium(II) hydroxide on carbon is a catalyst routinely used for the cleavage of O-benzyl groups by hydrogenolysis to obtain the corresponding parent organic compound. The work described in this article shows that allyl and benzyl phosphates, can be cleaved efficiently and selectively using palladium(II) hydroxide on carbon, under non-hydrogenolytic and neutral conditions, precluding the migration of acyl groups. The utility of these cleavage reactions for the synthesis of diacylglycerol and phosphatidic acid, containing unsaturation, is demonstrated. These methods have high potential for the synthesis of a variety of phosphates and natural phospholipids.
}, keywords = {Carbohydrate, Ether cleavage, Palladium, Phosphate, Phospholipid, Protecting group}, issn = {2365-6549}, doi = {10.1002/slct.202201167}, author = {Mart, Alson and Sarkar, Nitai N. and Shashidhar, Mysore S.} } @article {48427, title = {Pectinase production by aspergillus niger and its applications in fruit juice clarification}, journal = {Journal of Pure and Applied Microbiology}, volume = {16}, year = {2022}, month = {NOV}, pages = {2724-2737}, type = {Article}, abstract = {
Pectinases (EC 3.2.1.15) are a class of enzymes that catalyze the depolymerization or de-esterification reactions that degrade pectic substances. In the present study, we have isolated the\ Aspergillus niger\ strain from soil samples, in India and evaluated pectinase production. The highest pectinase producing\ A. niger\ strain was further evaluated and optimized with various agricultural wastes. Plackett-Burman design (PBD) and Central composite design {\textquoteleft}(CCD){\textquoteright} were used to determine the best parameters for maximum pectinase production. Pectinase activity was increased to 99.21 U/ml after optimizing the production medium using PBD and CCD statistical analysis. A positive correlation of pectinase activity between predicted (112.65 U/ml) and experimental (99.21 U/ml with SD=0.005) optimum was observed. Maximum pectinase was produced by\ A. niger\ under submerged fermentation, utilizing orange peel, which is a cost-effective, adaptable, and environmentally friendly approach. The partially purified pectinase showed significant application for apple juice clarification and showed the ability to degrade pectin and therefore the colour change was observed in apple juice within 120 min. Maximum pectinase was produced by\ A. niger\ using agricultural waste orange peel under submerged fermentation which is an economical, versatile and eco-friendly process and pectinase showed a significant application for apple juice clarification.
}, doi = {10.22207/JPAM.16.4.43}, author = {Wagh, Vrushali and Patel, Hirvitaben and Patel, Nafisa and Vamkudoth, Koteswara Rao and Ajmera, Shanthipriya} } @article {48145, title = {Pendant propargyloxy-functionalized aromatic (co)polycarbonates: synthesis, thermal crosslinking and chemical modification}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {59}, year = {2022}, month = {NOV}, pages = {752-763}, type = {Article}, abstract = {
A bisphenol monomer bearing pendant propargyloxy group viz, 1, 1-bis (4-hydoxyphenyl)-1-(4 {\textquoteleft}-propargyloxyphenyl) ethane (BPP) was synthesized starting from commercially available 1, 1, 1-tris (4-hydroxyphenyl) ethane (THPE) by mono O-propargylation reaction using propargyl bromide. A new series of pendant propargyloxy-functionalized aromatic (co)polycarbonates was synthesized by low-temperature solution polycondensation of BPP or different molar ratios of BPP and bisphenol-A with triphosgene in dichloromethane in the presence of triethylamine. The formation of reasonably high molecular weight (co)polycarbonates was confirmed by inherent viscosity (0.52-0.83 dL/g) and gel permeation chromatography (M-n 37,000-69,800 g/mol, polystyrene standards) measurements. C-13 NMR spectral studies supported formation of random copolycarbonates in copolymerization of BPP and BPA with triphosgene. The 10\% weight loss temperature (T-10) values of (co)polycarbonates, determined by thermogravimetric analysis under nitrogen atmosphere, were in the range 427-438 degrees C indicating their good thermal stability. The glass transition temperature (T-g) values of (co)polycarbonates were observed in the range 147-152 degrees C. The crosslinking ability of (co)polycarbonates involving pendant propargyloxy groups leading to formation of networked structure was evaluated via non-isothermal curing studies by DSC. As a proof-of-concept, the post-modification of a representative polycarbonate bearing pendant propargyloxy groups with 1-octane thiol as a model compound via thiol-yne click reaction was briefly studied.
}, keywords = {Aromatic polycarbonate, Chemical modification, propargyloxy groups, thermal crosslinking, thiol-yne click reaction}, issn = {1060-1325}, doi = {10.1080/10601325.2022.2117055}, author = {Nagane, Samadhan S. and Maher, Deepak M. and Verma, Savita and Talanikar, Aniket A. and Wadgaonkar, Prakash P.} } @article {48072, title = {Perception of glycerol carbonate as green chemical: synthesis and applications}, journal = {Catalysis Communications}, volume = {172}, year = {2022}, month = {DEC}, pages = {106542}, type = {Article}, abstract = {
Glycerol carbonate (GC) is a prominent component in industrial practice and has a remarkable potential for the sophisticated applications. While GC has come into prominence due to the perceived overflow of glycerol (GLY) as a coproduct of biodiesel industry, its contemporary and future downstream applications are driving tremendous interest in recent years. This review comprises strategies for glycerol carbonate synthesis, properties and its applications. The conversion of GLY to GC via transesterification has appeared in consensus to be the most promising route. A detailed explanation of the effect of the catalysts and operating conditions on the GC yield to provide an updated understanding of the process are summarized. Future directions for GC production through catalytic transesterification are also discussed.
}, keywords = {Biodiesel, biofuels, catalysis, Glycerol, Glycerol carbonate, green chemistry, transesterification}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106542}, author = {Gade, Swapna M. and Saptal, Vitthal B. and Bhanage, Bhalchandra M.} } @article {48063, title = {Pharmaceutical standardization and physicochemical characterization of traditional ayurvedic mineral drug red ochre roasted in cow{\textquoteright}s ghee (Shuddha Gairik)}, journal = {Indian Journal of Traditional Knowledge}, volume = {21}, year = {2022}, month = {APR}, pages = {303-316}, type = {Article}, abstract = {
Rasashastra is a pharmaceutics branch of Ayurveda describing scientific methods to convert metals and minerals into bio-compatible formulations used individually or plant admixed to enhance their bioavailability and efficacy. In the present study, red ochre (Gairik) powder was processed in cow{\textquoteright}s ghee by textual method of roasting. The steps of preparation and changes in the properties therein were documented and validated in triplicate batches to develop a monograph. Ayurvedic and basic tests were performed to determine the properties of Shuddha Gairik. The physical characterization included Scanning Electron Microscopy (SEM), X-ray Diffraction (XRD), Fourier Transform Infra-red (FT-IR), Dynamic Light Scattering (DLS) and Thermo-gravimetric Analysis (TGA). Elemental composition was estimated by titration and gravimetric analysis while heavy metal limits were assessed using Inductively Coupled Plasma Optical Emission Spectrophotometry (ICPOES). This study depicted that crude red ochre, containing Kaolinite with high iron percentage, on roasting in cow{\textquoteright}s ghee led to the formation of fatty acids adsorbed red ochre particles. The developed monograph will be a guideline to the Ayurvedic industry for precise formulation of Shuddha Gairik. This will help researchers for better understanding the importance of Ayurvedic methods of pharmaceutical preparations and carry out their mechanistic studies in various diseases.
}, keywords = {Ferric oxide, Gairik, Kaolinite, Monograph, Red ochre, Roasting}, issn = {0972-5938}, author = {Chavan, S. B. and Gupta, V. S. and Deshmukh, V. V. and Sardeshmukh, S. P.} } @article {48124, title = {Polymorphs of green fluorescence protein chromophore analogue: fluorescence switching with thermal stimuli}, journal = {Crystal Growth \& Design}, volume = {22}, year = {2022}, month = {MAR }, pages = {1892-1905}, type = {Article}, abstract = {
Polymorphs of fluorescent organic materials offer significant implications in optoelectronics and advanced materials as they modulate photoluminescence properties. A slight alteration in the conformation/packing of molecules in the crystals shows variation in photoluminescence. This necessitates the polymorph screening of these materials to develop novel crystalline forms with distinct fluorescence emissions for broader application. In continuation of our work on the polymorph screening of Green Fluorescence Protein Chromophore (GFPc), we have synthesized a new imidazoline derivative, ethyl (Z)-2-(2-methyl-5-oxo-4-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-1H-imi dazol-1- yl)acetate (1). Polymorph screening of 1 under different crystallization conditions revealed three polymorphs, Form I (needle), Form II (block), and Form III (polycrystalline material). Forms I and II are the outcome of solution crystallization, whereas Form III was produced from the melt crystallization of Forms I and II. DSC, HSM, and powder and single-crystal XRD studies indicate the conversion of Form I and Form III crystals to Form II crystals on thermal stimuli. The photoluminescence studies revealed cyan, yellow, and yellowish-green fluorescence emission for Forms I, II, and III crystals, respectively. The difference in photoluminescence could be due to the variance in aggregation modes like H-aggregation in Form I and J-aggregation in Form II crystals. Form I, Form II, and Form III crystals also showed irreversible thermal fluorescent switching from cyan-yellow-green due to polymorphic phase transitions. The study correlates the direct observation of the modulation of the excited-state transition under thermal stimuli in the crystalline phase. It will help augment the pace in the research of thermally responsive fluorescent materials.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.1c01459}, author = {Mali, Bhupendra P. and Dash, Soumya Ranjan and Biswas, Anupam and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {48039, title = {Poly(N-vinylcaprolactam) containing solid lipid polymer hybrid nanoparticles for controlled delivery of a hydrophilic drug gemcitabine hydrochloride}, journal = {RSC Advances}, volume = {12}, year = {2022}, month = {JUN}, pages = {17621-17628}, type = {Article}, abstract = {
Folic acid tagged and hydrophilic polymer containing solid lipid nanoparticles (SLNs) were formulated for the controlled and targeted delivery of gemcitabine, a hydrophilic drug. Drug loaded SLNs were prepared by double emulsion method and optimized by 3(2) level factorial design. Then, a hydrophilic polymer, namely, poly(N-vinylcaprolactam) (PVCL) was incorporated in the optimized SLN batch in the first aqueous phase (W1) to obtain solid lipid polymer hybrid nanoparticles (SLPHNs) that were further decorated with folic acid (F-SLPHNs). TEM analysis of SLNs and SLPHNs revealed the spherical shape with no aggregation while SLPHNs showed higher \% EE. SLPHNs exhibited limited burst release of gemcitabine compared to SLNs as well as lower overall \% release. All the formulations showed good cytocompatibility against MDA-MB-231 cell lines and folic acid-tagged hybrid particles (F-SLPHNs) showed remarkably higher cellular uptake.
}, doi = {10.1039/d2ra02845j}, author = {Surapaneni, Sai Geetika and Ambade, V. Ashootosh} } @article {47586, title = {Polyoxometalate clusters: inorganic ligands for functional materials}, journal = {Journal of Cluster Science}, volume = {33}, year = {2022}, month = {SEP}, type = {Review}, abstract = {
Research in polyoxometalates (POMs) is a diverse growing field with variations in application. POMs are consisting of metal ion and oxide. Peripheral oxides of POM can share spare electron pairs to behave as ligands. This property of POM was utilized for constructing coordination polymers (CPs), synthesizing transitional metal substituted POM for catalysis, synthesizing and stabilizing nano-particles, etc. POM connected structures have provided an opportunity of heterogenization of some homogeneous POM catalyst. Furthermore, diamagnetic POM ligands have been suitable for stabilizing and isolating magnetic ions inside clusters. The scope of this review is to summarize the role of POMs as ligands to prepare POM based CPs, synthesize and stabilize metal nano-particles and isolate magnetic ion or unit.
}, keywords = {Coordination polymer, Inorganic ligand, materials science, polyoxometalates, synthesis design}, issn = {1040-7278}, doi = {10.1007/s10876-021-02110-8}, author = {Dey, Chandan} } @article {48209, title = {Porous covalent organic nanotubes and their assembly in loops and toroids}, journal = {Nature Chemistry}, volume = {14}, year = {2022}, month = {MAY}, pages = {507+}, type = {Article}, abstract = {
Carbon nanotubes, and synthetic organic nanotubes more generally, have in recent decades been widely explored for application in electronic devices, energy storage, catalysis and biosensors. Despite noteworthy progress made in the synthesis of nanotubular architectures with well-defined lengths and diameters, purely covalently bonded organic nanotubes have remained somewhat challenging to prepare. Here we report the synthesis of covalently bonded porous organic nanotubes (CONTs) by Schiff base reaction between a tetratopic amine-functionalized triptycene and a linear dialdehyde. The spatial orientation of the functional groups promotes the growth of the framework in one dimension, and the strong covalent bonds between carbon, nitrogen and oxygen impart the resulting CONTs with high thermal and chemical stability. Upon ultrasonication, the CONTs form intertwined structures that go on to coil and form toroidal superstructures. Computational studies give some insight into the effect of the solvent in this assembly process.
}, issn = {1755-4330}, doi = {10.1038/s41557-022-00908-1}, author = {Koner, Kalipada and Karak, Shayan and Kandambeth, Sharath and Karak, Suvendu and Thomas, Neethu and Leanza, Luigi and Perego, Claudio and Pesce, Luca and Capelli, Riccardo and Moun, Monika and Bhakar, Monika and Ajithkumar, Thalasseril G. and Pavan, Giovanni M. and Banerjee, Rahul} } @article {48345, title = {Possible fine-tuning of methane activation toward C2 oxygenates by 3d-transition metal-ions doped nano-ceria-zirconia}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {DEC }, pages = {19577-19587}, type = {Article}, abstract = {
In this work, we demonstrate a simple sol-gel technique to prepare metal-ion(s)-doped ceria-zirconia solid solution for efficient catalytic methane activation. The cation -depicting formula units are Ce0.80Zr0.20 (CZ), Ce0.79Zr0.20M0.01 (CZM), and Ce0.79Zr0.20M0.005M10.005 (CZMM1) (M and M1 = V, Mn, Fe, Co, and Cu), employed for undoped, mono-metal-ion -doped, and bi-metal-ion-doped solid solutions, respectively. Methane activation with Mn, Fe, Cu mono-metal-ion-doped CZ favors the C1 product, while CZCo assists C-C coupling with the formation of acetaldehyde. On the other hand, the Co-and Fe -doped bi-metal-ion combination catalyst (CZCoFe) shows significant ethanol but predominant formic acid formation. This is further promoted by the Co + V bi-metal-ion combination (CZCoV) catalyst, and it shows ethanol as the major product along with methyl hydrogen peroxide, methanol, and formic acid as minor products. An impressive ethanol yield of 93 mu mol/g h with 76\% selectivity obtained with the CZCoV catalyst is at par with that obtained with noble-metal-based catalysts under comparable reaction conditions. When Co and V content was increased two and four times from 0.005 to 0.01 and 0.02, ethanol yield increased at the expense of formic acid. The 213 mu mol/g h ethanol yield (86\% selectivity) observed with Ce0.76Zr0.20Co0.02V0.02 is probably the highest observed. The partial oxidation of CH4 in Co-based bi-metal combinations (Co + V or Co + Fe) suggests the synergistic effect of doped metal ions owing to the heterogeneous near -neighbor environment. The present results are attributed to the surface heterogeneity between the host and the dopants, which selectively promotes methane activation as well as C-C coupling. This indicates a large scope to tune the activity of partial oxidation of methane and product selectivity with different metal-ion(s) combinations.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c03493}, author = {Kanungo, Subhashree S. and Mishra, Abhaya Kumar and Mhamane, Nitin B. and Marelli, Udaya Kiran and Kumar, Dharmesh and Gopinath, Chinnakonda S.} } @article {48068, title = {Postmodification of voxelotor (GBT 440) via [Rh]-catalyzed cross dehydrogenative coupling with olefins br}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {77}, year = {2022}, month = {DEC}, pages = {129022}, type = {Article}, abstract = {
The directed Rh(III)-catalyzed cross dehydrogenative coupling of the pyrazole unit of the GBT-440 scaffold has been explored with simple as well as conjugated olefins to synthesize post-functionalized GBT-440 analogues. The screening of these synthesized compounds for improving the oxygen binding efficiency of the hemoglobin isolated from the sickled red blood cells revealed that some of these compounds are as good as GBT-440.
}, keywords = {CDC Coupling, GBT-440 (Voxelotor), Rh(III) catalysis, sickle cell anemia}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2022.129022}, author = {Kalshetti, Rupali G. and Rajput, Raveena and Motiwala, Zenia and Reddy, D. Srinivasa and Kulkarni, Kiran A. and V. Ramana, Chepuri} } @article {48402, title = {Post-polymerization modifiable aromatic (co)poly(ether sulfone)s possessing pendant norbornenyl groups based upon a new bisphenol}, journal = {European Polymer Journal}, volume = {176}, year = {2022}, month = {AUG }, pages = {111431}, type = {Article}, abstract = {
A new bisphenol possessing pendant norbornenyl group viz., 4, 4 {\textquoteleft}-(bicyclo (2.2.1) hept-5-en-2 yl methylene) bis (2-methoxyphenol) (BPA-NB) was synthesized by a single-step base-catalyzed condensation reaction of 5-norbor-nene-2-carboxaldehyde with guaiacol. NMR spectral data indicated formation of BPA-NB comprising of isomeric components. A series of (co)poly(ether sulfone)s possessing pendant norbornenyl groups was synthesized by nucleophilic aromatic substitution polycondensation of varying molar ratio of BPA-NB and bisphenol-A (BPA) with bis(4-fluorophenyl) sulfone. Inherent viscosity values and number average molecular weights of (co)poly (ether sulfone)s were in the range 0.67-1.01 dL/g and 75,400-1,16,300 g/mol, respectively indicating the formation of reasonably high molecular weight polymers. Tough, transparent, and flexible films could be cast from chloroform solutions of these (co)poly(ether sulfone)s. (Co)poly(ether sulfone)s were characterized using FT-IR, H-1 NMR and C-13 NMR spectroscopy, XRD, TGA and DSC analysis. The formation of random copoly(ether sulfone)s was demonstrated by( 13)C NMR analysis. The incorporation of BPA-NB into (co)poly(ether sulfone)s resulted into improvement in Tg values. BPA-NB-based (co)poly(ether sulfone)s offered possibilities for post -modifications involving either methoxyl or norbornenyl groups. A representative copoly(ether sulfone) (PSU-NB-2) possessing pendant norbornenyl groups was chemically modified via thiol-ene reaction with three representative thiol compounds, namely, 1-dodecanethiol, 2-furanmethanethiol and 2-mercaptoethanol to yield corresponding post-modified polymers in a quantitative manner. Additionally, it was demonstrated that copoly (ether sulfone) possessing pendant norbornenyl groups could be used to form insoluble cross-linked gel in the presence of a multifunctional thiol cross-linker.
}, keywords = {(Co)poly(ether sulfone)s, bisphenol, Cross -linking, Pendant norbornenyl groups, Thiol-ene reaction}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2022.111431}, author = {Talanikar, Aniket A. and Nagane, Samadhan S. and Wadgaonkar, Prakash P. and Rashinkar, Gajanan S.} } @article {48179, title = {Potassium phosphate catalyzed highly efficient synthesis of structurally diverse thioethers at ambient temperature}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {61}, year = {2022}, month = {FEB}, pages = {154-158}, type = {Article}, abstract = {
Commercially available potassium phosphate has been demonstrated to be a highly efficient catalyst for the synthesis of thioethers employing two different routes viz. alkylation of thiols with alkyl/aralkyl halides and by Michael addition of thiols to conjugated alkenes.
}, keywords = {Alkyl halides, Potassium phosphate, thia-Michael reaction, thioethers, thiols}, issn = {0019-5103}, author = {Mitragotri, Satish D. and Kulkarni, Makarand A. and Desai, V. Uday and Wadagaonkar, Prakash P.} } @article {48094, title = {Potential- and time-dependent dynamic nature of an oxide-derived pdin nanocatalyst during electrochemical CO2 reduction}, journal = {ACS Nano}, volume = {16}, year = {2022}, month = {APR}, pages = {6185-6196}, type = {Article}, abstract = {
Electrochemical reduction of CO2 into valuable fuels and chemicals is a promising route of replacing fossil fuels by reducing CO2 emissions and minimizing its adverse effects on the climate. Tremendous efforts have been carried out for designing efficient catalyst materials to selectively produce the desired product in high yield from CO2 by the electrochemical process. In this work, a strategy is reported to enhance the electrochemical CO2 reduction reaction (ECO2RR) by constructing an interface between a metal-based alloy (PdIn) nanoparticle and an oxide (In2O3), which was synthesized by a facile solution method. The oxide-derived PdIn surface has shown excellent eCO(2)RR activity and enhanced CO selectivity with a Faradaic efficiency (FE) of 92.13\% at -0.9 V (vs RHE). On the other hand, surface PdO formation due to charge transfer on the bare PdIn alloy reduces the CO2RR activity. With the support of in situ (EXAFS and IR) and ex situ (XPS, Raman) spectroscopic techniques, the optimum presence of the Pd-In-O interface has been identified as a crucial parameter for enhancing eCO(2)RR toward CO in a reducing atmosphere. The influence of eCO(2)RR duration is reported to affect the overall performance by switching the product selectivity from H-2 (from water reduction) to CO (from eCO(2)RR) on the oxide-derived alloy surface. This work also succeeded in the multifold enhancement of the current density by employing the gas diffusion electrode (GDE) and optimizing its process parameters in a flow cell configuration.
}, keywords = {CO2 reduction, Electrochemistry, heterostructure interface, in situ mechanism, nanocatalyst}, issn = {1936-0851}, doi = {10.1021/acsnano.1c11664}, author = {Bagchi, Debabrata and Sarkar, Shreya and Singh, Ashutosh Kumar and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48057, title = {Predicting the redox potentials of phenazine derivatives using DFT-assisted machine learning}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {APR }, pages = {11742-11755}, type = {Article}, abstract = {
This study investigates four machine-learning (ML) models to predict the redox potentials of phenazine derivatives in dimethoxyethane using density functional theory (DFT). A small data set of 151 phenazine derivatives having only one type of functional group per molecule (20 unique groups) was used for the training. Prediction accuracy was improved by a combined strategy of feature selection and hyperparameter optimization, using the external validation set. Models were evaluated on the external test set containing new functional groups and diverse molecular structures. High prediction accuracies of R2 \> 0.74 were obtained on the external test set. Despite being trained on the molecules with a single type of functional group, models were able to predict the redox potentials of derivatives containing multiple and different types of functional groups with good accuracies (R2 \> 0.7). This type of performance for predicting redox potential from such a small and simple data set of phenazine derivatives has never been reported before. Redox flow batteries (RFBs) are emerging as promising candidates for energy storage systems. However, new green and efficient materials are required for their widespread usage. We believe that the hybrid DFT-ML approach demonstrated in this report would help in accelerating the virtual screening of phenazine derivatives, thus saving computational and experimental costs. Using this approach, we have identified promising phenazine derivatives for green energy storage systems such as RFBs.
}, issn = {2470-1343}, doi = {10.1021/acsomega.1c06856}, author = {Ghule, Siddharth and Dash, Soumya Ranjan and Bagchi, Sayan and Joshi, Kavita and Vanka, Kumar} } @article {48360, title = {Preface to special issue on protein-mediated membrane remodeling}, journal = {Journal of Membrane Biology}, volume = {255}, year = {2022}, month = {DEC}, pages = {633-635}, type = {Editorial Material}, issn = {0022-2631}, doi = {10.1007/s00232-022-00273-7}, author = {Chakraborty, Hirak and Sengupta, Durba} } @article {47820, title = {Probes and techniques used in active and the hypoxia-based dormant state of an antitubercular drug screening assay}, journal = {Medicine in Drug Discovery}, volume = {13}, year = {2022}, month = {MAR}, pages = {100115}, type = {Article}, abstract = {Current antitubercular drug therapy requires more than six months and is unable to kill latent or dormant forms of tuberculosis. Thus, it is a need of new drug therapy to fight against dormant tuberculosis. However, the major obstacle in the development of novel drugs for dormant tuberculosis is the lack of relevant screening systems and using reliable probes to measure growth inhibition. Until now, several probes used in active state assays are significantly determining the inhibitory effect against the active state of mycobacteria. The dormant condition assays are based on hypoxia-derived dormancy which include resazurin reduction assay, nitrite reductase assay, XTT reduction menadione assay and low oxygen recovery assay. Major probes used in those assays are colorimetric/fluorescent dyes, enzymatic activity, and reporter genes include luciferase and fluorescent proteins. Although these dormant assays are based on hypoxia-induced features and difficult to maintain for a longer duration. Also, they further complicated by growth detection and pursuit of high throughput screening criteria. Here we reviewed complications of probes and assay techniques used for anti-dormant drug screening programs of tuberculosis. This will provide the knowledge to design better alternative drug screening method for the anti-dormant form of tuberculosis.}, keywords = {Active and dormant states, and, Drug screening assay, Probes, tuberculosis}, issn = {2590-0986}, doi = {10.1016/j.medidd.2021.100115}, author = {Yeware, Amar and Akhtar, Shamim and Sarkar, Dhiman} } @article {48110, title = {Probing the site-specific reactivity and catalytic activity of Ag-n (n=15-20) silver clusters}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {JUN }, pages = {19687-19693}, type = {Article}, abstract = {
Density functional theory calculations within the framework of generalized gradient approximation (GGA), meta-GGA, and local functionals were carried out to investigate the reactivity and catalytic activity of Ag-n (n = 15-20) clusters. Our results reveal that all the Ag-n dusters in this size range, except Ag-20, adsorb O-2 preferably in the bridged mode with enhanced binding energy as compared to the atop mode. The O-2 binding energies range from 0.77 to 0.29 in the bridged mode and from 0.36 to 0.15 eV in the atop mode of O-2 adsorption. The strong binding in the case of the bridged mode of O-2 adsorption is also reflected in the increase in O-O bond distance. Natural bond orbital charge analysis and vibrational frequency calculations reveal that enhanced charge transfer occurs to the O-2 molecule and there is significant red shift in the stretching frequency of O-O bond in the case of the bridged mode of O-2 adsorption on the clusters, thereby confirming the above results. Moreover, the simulated CO oxidation reaction pathways show that the oxidation of the CO molecule is highly facile on Ag-16 and Ag-18 clusters involving small kinetic barriers and higher heats toward CO2 formation.
}, issn = {2470-1343}, doi = {10.1021/acsomega.2c01437}, author = {Anis, Insha and Dar, Mohd Saleem and Bhat, Gulzar Ahmad and Rather, Ghulam Mohammad and Dar, Manzoor Ahmad} } @article {48104, title = {Process development for crystalline xylitol production from corncob biomass by Pichia caribbica}, journal = {Food and Bioproducts Processing}, volume = {133}, year = {2022}, month = {MAY}, pages = {45-56}, type = {Article}, abstract = {
Xylitol, a commodity chemical, is widely used in nutraceutical and pharmaceutical formulations. Microbial xylitol production is a promising alternative to mitigate current industrial practice issues and offers an environment-friendly sustainable conversion route. This study demonstrates a bioprocess for xylitol production from corncob using a mesophilic yeast Pichia caribbica. Corncob was hydrolyzed by dilute acid and steam explosion to recover fermentable xylose and used as the feed for xylitol production. Activated carbon treatment (3\% w/v) completely removed the biomass-derived inhibitors furfural and hydroxymethyl furfural from the liquid hydrolysate. The fermenting yeast Pichia caribbica produced 124.1 +/- 0.45 g/L xylitol from the detoxified and concentrated corncob hydrolysate with a high yield of 0.80 +/- 0.02 g/g. The crystallized xylitol with 96.5\% purity demonstrated no harmful effects on the cell line used as a control for the in-vitro toxicity studies. This proof of concept can be applied to help scale up for bio-refinery-based large-scale production of xylitol from corncob biomass.(c) 2022 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Biomass, Corncob, Detoxification, Fermentation, Toxicity analysis, xylitol}, issn = {0960-3085}, doi = {10.1016/j.fbp.2022.02.006}, author = {Dasgupta, Diptarka and Sidana, Arushdeep and Sarkar, Bipul and More, Snehal and Ghosh, Debashish and Bhaskar, Thallada and Ray, Anjan} } @article {47762, title = {Process development for detoxification of corncob hydrolysate using activated charcoal for xylitol production}, journal = {Journal of Environmental Chemical Engineering}, volume = {10}, year = {2022}, month = {FEB}, pages = {107097}, type = {Article}, abstract = {The work describes process development for detoxification of corncob hydrolysate using activated carbon for microbial xylitol production. Activated carbon was used as an adsorbent to completely remove the major fermentation inhibitors obtained during dilute acid and steam explosion of biomass. A xylitol yield of 0.78 g/g was achieved from the detoxified hydrolysate in a 5 L fermenter by Pichia caribbica. The spent carbon was effectively regenerated and used for three consecutive cycles of operation. The successive regeneration and reuse of carbon could reduce the operational cost by similar to 38\% and be used as a reference dataset for process scale-up and cost-effective xylitol production.}, keywords = {Activated charcoal, Detoxification, Fermentation, Regeneration, xylitol}, issn = {2213-2929}, doi = {10.1016/j.jece.2021.107097}, author = {Ahuja, Vishal and Kshirsagar, Siddheshwar and Ghosh, Prasenjit and Sarkar, Bipul and Sutar, Ajit and More, Snehal and Dasgupta, Diptarka} } @article {48002, title = {Process optimization for biodiesel production using agro-waste substrate}, journal = {Journal of the American Oil Chemists Society}, volume = {99}, year = {2022}, month = {OCT}, pages = {44}, type = {Meeting Abstract}, issn = {0003-021X}, author = {RaviKumar, Ameeta and Bed, Rashmi and Kumar, V. Ravi} } @article {48375, title = {Profiling of metabolic alterations in mice infected with malaria parasites via high-resolution metabolomics}, journal = {Molecular and Biochemical Parasitology}, volume = {252}, year = {2022}, month = {NOV}, pages = {111525}, type = {Article}, abstract = {
Background: Malaria infection can result in distinct clinical outcomes from asymptomatic to severe. The association between patho-physiological changes and molecular changes in the host, and their correlation with severity of malaria progression is not fully understood. Methods: In this study, we addressed mass spectrometry-based temporal profiling of serum metabolite levels from mice infected with Plasmodium berhgei (strain ANKA). Results: We show global perturbations and identify changes in specific metabolites in correlation with disease progression. While metabolome-wide changes were apparent in late-stage malaria, a subset of metabolites exhibited highly correlated changes with disease progression. These metabolites changed early on following infection and either continued or maintained the change as mice developed severe disease. Some of these have the potential to be sentinel metabolites for severe malaria. Moreover, glycolytic metabolites, purine nucleotide precursors, tryptophan and its bioactive derivatives were many fold decreased in late-stage disease. Interestingly, uric acid, a metabolic waste reported to be elevated in severe human malaria, increased with disease progression, and subsequently appears to be detoxified into allantoin. This detoxification mechanism is absent in humans as they lack the enzyme uricase. Conclusions: We have identified candidate marker metabolites that may be of relevance in the context of human malaria.
}, keywords = {Host response, Infectious diseases, malaria, metabolite, Plasmodium}, issn = {0166-6851}, doi = {10.1016/j.molbiopara.2022.111525}, author = {Chhibber-Goel, Jyoti and Shukla, Anurag and Shanmugam, Dhanasekaran and Sharma, Amit} } @article {47750, title = {Progress and potential of electrospinning-derived substrate-free and binder-free lithium-ion battery electrodes}, journal = {Chemical Engineering Journal}, volume = {430}, year = {2022}, month = {FEB }, pages = {132876}, type = {Review}, abstract = {Carbon nanofibers derived from electrospun precursors show great promise for electronic applications owing to their flexibility, conductivity, high surface area, and open structure. The integration of metal oxides and sulfides in carbon nanofibers, rather than using them with other binders, eliminates many problems caused by poor adhesion, nanomaterial agglomeration, excess mass contributed by inactive binders, and low conductivity of embedded active materials. The engineering of electrospun fibers with novel morphologies, such as core-shell, hollow, or porous structures, and the use of decorated carbon nanofibers (e.g., by electrodeposition or co precipitation) are discussed in this review. Representative schematic illustrations of the lithium-storage mechanism for these binder-free electrodes are presented. We describe how the electrospinning technique can offer a cost-effective strategy for fabrication of lightweight lithium-ion batteries with high capacity and excellent bendability. This review presents the fascinating morphologies of these specially designed carbon nanofiber electrodes, which enhance the electrochemical performance of metal oxides and sulfides, illustrating their enormous potential for use in wearable electronic devices and hybrid electric vehicles.}, keywords = {Carbon nanofibers, Co-axial, composites, core-shell, electrospinning, Flexible}, issn = {1385-8947}, doi = {10.1016/j.cej.2021.132876}, author = {Joshi, Bhavana and Samuel, Edmund and Kim, Yong-il and Yarin, Alexander L. and Swihart, Mark T. and Yoon, Sam S.} } @article {48404, title = {Proteomic profile of candida albicans biofilm}, journal = {Journal of Proteomics}, volume = {265}, year = {2022}, month = {AUG }, pages = {104661}, type = {Article}, abstract = {
Candida albicans biofilms are characterized by structural and cellular heterogeneity that confers antifungal resistance and immune evasion. Despite this, biofilm formation remains poorly understood. In this study, we used proteomic analysis to understand biofilm formation in C. albicans related to morphophysiological and architectural features. LC-MS/MS analysis revealed that 64 proteins were significantly modulated, of which 31 were upregulated and 33 were downregulated. The results indicate that metabolism (25 proteins), gene expression (13 proteins), stress response (7 proteins), and cell wall (5 proteins) composition are modulated. The rate of oxidative phosphorylation (OxPhos) and biosynthesis of UDP-N-acetylglucosamine, vitamin B6, and thiamine increased, while the rate of methionine biosynthesis decreased. There was a significant modification of the cell wall architecture due to higher levels of Sun41, Pir1 and Csh1 and increased glycosylation of proteins. It was observed that C. albicans induces hyphal growth by upregulating the expression of genes involved in cAMP-PKA and MAPK pathways. This study is significant in that it suggests an increase in OxPhos and alteration of cell wall architecture that could be contributing to the recalcitrance of C. albicans cells growing in biofilms. Nevertheless, a deeper investigation is needed to explore it further.Significance: Candida sps is included in the list of pathogens with potential drug resistance threat due to the increased frequency especially colonization of medical devices, and tissues among the patients, in recent years. Significance of our study is that we are reporting traits like modulation in cell wall composition, amino acid and vitamin biosynthesis and importantly energy generation (OxPhos) etc. These traits could be conferring antifungal resistance, host immune evasion etc. and thus survival, in addition to facilitating biofilm formation. These findings are expected to prime the further studies on devising potent strategy against biofilm growth among the patients.
}, keywords = {Biofilm, Candida albicans, Cell wall, LC-MS, Metabolism, MS, proteomics}, issn = {1874-3919}, doi = {10.1016/j.jprot.2022.104661}, author = {Abdulghani, Mazen and Iram, Rasiqua and Chidrawar, Priti and Bhosle, Kajal and Kazi, Rubina and Patil, Rajendra and Kharat, Kiran and Zore, Gajanan} } @article {48182, title = {Protophilic solvent-impelled quasi-catalytic CO2 valorization to formic acid and N-formamides}, journal = {Fuel}, volume = {326}, year = {2022}, month = {OCT}, pages = {125074}, type = {Article}, abstract = {
As a low-price and luxuriant C1 sustainable resource, CO2 has the privilege of synthesizing hydrogen carriers and valuable chemicals. However, expensive metallic and organic catalysts are often indispensable for going on wheels of the relevant reaction processes. In this work, a protophilic solvent-impelled quasi-catalytic system was developed for efficient synthesis of formic acid and various N-formamides with high yields of 76-94\% via reductive CO2 functionalization under mild reaction conditions (50 ?). Direct activation of the liquid hydrosilane toward the reduction of CO2 enabled by DMSO with optimum basicity/protophilicity is the predominant reaction route among the examined interaction models, while carbonic acid potentially derived from excessive CO2 and residual water inhibits the reaction, as explicitly disclosed by theoretical calculations and isotope labeling experiments. In addition, the in situ formed O-formyl species is conductive to the cascade CO2 reduction steps, which remarkably facilitated the overall quasi-catalytic upgrading process.
}, keywords = {CO2 utilization, Formic acid, Green energy, Nitrogenous chemicals, Quasi-catalysis}, issn = {0016-2361}, doi = {10.1016/j.fuel.2022.125074}, author = {Wu, Hongguo and Li, Hu and Zhao, Wenfeng and Sudarsanam, Putla and Yang, Song} } @article {48201, title = {Pseudo-boehmite AlOOH supported NGr composite-based air electrode for mechanically rechargeable Zn-air battery applications}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {MAY}, pages = {10014-10025}, type = {Article}, abstract = {
Both mechanically and electrically rechargeable zinc-air batteries (ZABs) have received much interest due to their high energy density and suitability for mobile and stationary applications. However, their commercialization has been impeded by the lack of robust, low-cost and environmentally benign catalyst materials that can be easily scaled up. In this context, the present work introduces a new type of transition metal-free catalytic material (AlOOH/NGr) by anchoring the pseudo-boehmite phase of aluminium oxyhydroxide (AlOOH) nanosheets over nitrogen-doped graphene (NGr) via a single-step and straightforward hydrothermal process. Furthermore, density functional theory (DFT) based computation demonstrates that the nucleation of AlOOH starts from the N-sites and points towards the strong surface interaction between AlOOH and NGr via doped nitrogen. AlOOH/NGr consisting of thin layered pseudo-boehmite sheets uniformly distributed over NGr has displayed an oxygen reduction reaction onset potential of 0.83 V and a half-wave potential of 0.72 V, along with good catalytic durability in alkaline medium. With this, AlOOH/NGr, when used as an air electrode for fabricating a primary Zn-air battery, the system has exhibited an open circuit voltage of similar to 1.27 V with a flat discharge profile at a current rate of 10 mA cm(-2). The fabricated system delivered a specific capacity of similar to 720 mA h g(-1) and a high power density of 204 mW cm(-2) and is comparable to the counterpart system based on the state-of-the-art Pt/C (20 wt\% Pt) cathode. Additionally, the homemade battery was able to maintain its performance after 4 times of mechanical recharging of the battery, which lasted for more than 35 h at a discharge current density of 10 mA cm(-2). Thus, we have uncovered the potential of an earth-abundant metal-based catalytic system for fabricating and demonstrating a robust mechanically rechargeable zinc-air battery.
}, issn = {2050-7488}, doi = {10.1039/d2ta00546h}, author = {Kharabe, Geeta Pandurang and Manna, Narugopal and Nadeema, Ayasha and Singh, Santosh K. and Mehta, Shweta and Nair, Aathira and Joshi, Kavita and Kurungot, Sreekumar} } @article {48006, title = {Rapid synthesis of the epi-biotin sulfone via tandem S,N-carbonyl migration/aza-michael/spirocyclization and haller-bauer reaction}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {MAY }, pages = {17215-17222}, type = {Article}, abstract = {
A synthesis of 2-epi-biotin sulfone was accomplished from commercially available L-cysteine. The synthesis features an unprecedented tandem S,N-carbonyl migration/aza-Michael/spirocyclization reaction from an L-cysteine-derived enone with aq. ammonia, in which three new sigma bonds and two rings are formed. In addition, the synthesis includes a highly diastereoselective late-stage Haller-Bauer reaction of sulfone for direct introduction of the carbon side chain.
}, issn = {2470-1343}, doi = {10.1021/acsomega.2c01030}, author = {Chavan, Subhash P. and Kalbhor, Dinesh B. and Gonnade, Rajesh G.} } @article {48203, title = {Reactive extraction of gluconic acid using trioctylamine in different diluents}, journal = {Chemical Engineering \& Technology}, volume = {45}, year = {2022}, month = {MAR}, pages = {417-424}, type = {Article}, abstract = {
Reactive extraction of gluconic acid (GA) from aqueous solutions was investigated using trioctylamine (TOA) as extractant in the presence of benzyl alcohol (BA) and 1-decanol (DE) as diluents. Physical extraction of GA with pure diluents in the absence of TOA was found to be poor. Reactive extraction with an amine-diluent mixture enhanced the separation process. Higher extraction efficiencies and distribution coefficients were achieved in the presence of BA as compared to DE. Further optimization studies were carried out to determine the synergistic effect of amine/diluent ratio. Loading ratios higher than 0.5 suggested 3:1 complex formation of GA with the amine. A reactive extraction mechanism of GA in TOA was proposed, and the equilibrium complexation constant was determined.
}, keywords = {1-Decanol, Benzyl alcohol, Gluconic acid, reactive extraction, Trioctylamine}, issn = {0930-7516}, doi = {10.1002/ceat.202100373}, author = {Kakku, Sivasankar and Gaikwad, Shripal M. and Gaikwad, Shashank and Taralkar, Suyogkumar V. and Billa, Sarath Babu and Chakinala, Anand Gupta and Chakinala, Nandana} } @article {48133, title = {Reactivity of four coordinate iridium complex towards hydrogen: an experimental and computational study}, journal = {Journal of Organometallic Chemistry}, volume = {965}, year = {2022}, month = {MAY}, pages = {122317}, type = {Article}, abstract = {
Reaction of a four coordinate, 16-electron Ir complex, [Ir-(iPr)4(POCOP)(PPh3)] (4 ) (((iPr)4)(POCOP= 2,6-bis(di-isopropyl phosphinito)benzene, kappa(3)-C6H3-1,3-[OP((iPr))(2)](2)), with H-2 resulted in an oxidative addition product, cis-dihydride complex, cis-[Ir(H)(2) ((iPr)4)(POCOP)(PPh3)] ( cis-5 ) presumably via the intermediacy of a sigma complex, [Ir(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)]. The cis-dihydride complex completely isomerizes to the trans-dihydride complex trans-[Ir(H)(2) ((iPr)4)(POCOP)(PPh3)] ( trans-5 ) under ambient conditions in about 3 h. It was found that the steric and electronic features on the iridium center have significant influence on the approach of H-2 onto the metal center followed by oxidative addition and isomerization. The isomerization process was studied in detail and all the mechanistic aspects have been elucidated using a combination of both experimental work and computation. The cis-dihydride complex isomerizes to the trans-dihydride by compensating the trans influence of the strongly trans-directing hydride ligand. A mechanism involving the exchange of the position of PPh3 with a hydride ligand cis to itself via PPh3 dissociation and re-coordination thereby resulting in the formation of the trans-dihydride complex, has been proposed for the isomerization. The cis-dihydride was found to be a highly active catalyst for hydrogenation of ethy-lene. A competing reactivity study of cis-dihydride between isomerization versus insertion of C2H4 into the Ir-H bond, was studied experimentally and computationally. (c) 2022 Elsevier B.V. All rights reserved.
}, keywords = {Hydrogenation, Insertion, iridium complex, isomerization, Oxidative addition, Reductive elimination}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2022.122317}, author = {Agrawal, Nisha K. and Dash, Soumya R. and Vanka, Kumar and Nethaji, Munirathinam and Jagirdar, Balaji R.} } @article {48160, title = {Ready access to benzannulated [5,5]-oxaspirolactones using Au(III)-catalyzed cascade cyclizations}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {MAR}, pages = {3025-3041}, type = {Article}, abstract = {
This work showcases an unprecedented Au(III)-catalyzed cascade cyclization of 2-(4-hydroxyalkynyl)benzoates to access benzannulated [5,5]-oxaspirolactones related to biologically active natural products. This reaction proceeds through an initial 5-endo-dig mode of hydroalkoxylation of the alkynol segment to give the oxocarbenium species (via cyclic enol-ether) followed by the addition of carboxylate onto the oxocarbenium that delivers the oxaspirolactone scaffold. While testing this method{\textquoteright}s scope, we found that the steric and electronic environment of the hydroxyl group could alter the reaction pathway that delivers isochromenone through a competitive 6-endo-dig mode of attack of the carboxylate onto the tethered alkyne.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c02843}, author = {Mankad, Yash and Thorat, Sagar S. and Das, Pronay and Krishna, Gamidi Rama and Kontham, Ravindar and Reddy, D. Srinivasa} } @article {48143, title = {Ready access to densely substituted furans using Tsuji-Wacker type cyclization}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {JAN }, pages = {556-568}, type = {Article}, abstract = {
A competent method for the construction of highly substituted furans catalyzed by Pd(II) and Cu(II) chloride has been developed. The method provides easy access to di-, tri-, and tetrasubstituted furans from corresponding diols with relatively mild conditions in a unified strategy. The developed method has been successfully tested with more than 25 substrates, which resulted in furans of multiple substitution patterns with up to 84\% isolated yields.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c02567}, author = {Masal, Dattatraya P. and Choudhury, Rahul and Singh, Aman and Reddy, D. Srinivasa} } @article {48119, title = {Recent advances in the metal-organic framework-based electrocatalysts for trifunctional electrocatalysis}, journal = {Dalton Transactions}, volume = {51}, year = {2022}, month = {SEP}, pages = {13573-13590}, type = {Review}, abstract = {
The sustainable energy technology is in great demand due to the depletion and the risks associated with the use of fossil fuels. Various energy technologies like regenerative fuel cells, zinc-air batteries, and overall water-splitting devices have a huge scope in the growth of green energy. The efficiency of these devices is reliant upon the multifunctional electrocatalysts, which include both bifunctional and trifunctional electrocatalysts. Among the different categories of the materials used for such multifunctional electrocatalysis, metal-organic-frameworks (MOFs) occupy a very consolidated place because of their high surface area, porosity, and many other unique physicochemical properties. However, the use of MOFs for the trifunctional electrocatalytic applications is in the budding phase and needs to be explored more. Further, most of these MOF-based trifunctional electrocatalysts are derived by pyrolyzing MOFs at high temperatures. Therefore, there is a need to develop more conductive MOFs which can be directly utilized for the trifunctional applications. In this frontier article, we present the latest reports on the MOF-based materials for trifunctional applications. The material design strategies of the MOF-based materials for trifunctional electrocatalysis have been discussed. The progressive improvements made with MOFs in electrocatalytic applications have been provided with emphasis on the structural, active site and compositional requirements. Finally, the challenges and viewpoints on the future development of the MOF-based materials for trifunctional electrocatalysis have been provided.
}, issn = {1477-9226}, doi = {10.1039/d2dt01981g}, author = {Devi, Bandhana and Koner, Rik Rani and Kurungot, Sreekumar} } @article {47992, title = {Recent developments in the applications of biomass-derived sulfonated carbonaceous solid acid catalysts}, journal = {Helvetica Chimica Acta}, volume = {105}, year = {2022}, month = {AUG}, pages = {e202200032}, type = {Review}, abstract = {
Recently, carbon-based materials are gaining a lot of attraction. It is considered as an emerging area of research and has gained significant importance as an efficient catalyst/material in various fields. Biomass is abundantly available, cheap and a renewable carbon resource. Sulfonated carbonaceous solid acid catalyst can be derived by sulfonation of various sources of biomass such as sugars, lignin, fruit waste, agro-waste, bio-char, etc. Sulfonated carbonaceous solid acid catalysts can be used as a substitute to liquid acids. These catalysts possess a stable carbon skeleton and are insoluble in almost all organic solvents as well as under acidic/basic conditions. This review covers details about biomass-derived sulfonated carbonaceous solid acid catalysts and its catalytic activities in many important transformations such as hydrolysis of cellulose, synthesis of biodiesel, synthesis of various important chemicals and for various organic transformations.
}, keywords = {Biodiesel, Biomass, cellulose, Hydrolysis, sulfonated carbonaceous solid acid catalyst}, issn = {0018-019X}, doi = {10.1002/hlca.202200032}, author = {Kirdant, Swapnali P. and Tamboli, Asma T. Biradar and Jadhav, Vrushali H.} } @article {48378, title = {Rediscovering Bacon{\textquoteright}s hydrazine/phenylhydrazine mediated cyclization of 2,2 {\textquoteleft}-dicarbonylbi(hetero)aryls: construction of (5-azo)-/indazolo[2,3-a]quinolines}, journal = {Organic \& Biomolecular Chemistry}, volume = {20}, year = {2022}, month = {JAN}, pages = {636-648}, type = {Article}, abstract = {
Hydrazine/phenylhydrazine-mediated reductive dicarbonyl coupling reactions have been carried out under mild conditions to provide polycyclic aromatic compounds and azo-substituted polyaromatic compounds. This method has a broad substrate scope with good functional group compatibility.
}, issn = {1477-0520}, doi = {10.1039/d1ob02207e}, author = {Dhote, Pawan S. and Ramana, V. Chepuri} } @article {48065, title = {Reduction of carbon dioxide to dimethylformamide using ruthenium doped Mg/Al hydrotalcites under supercritical conditions}, journal = {Journal of CO2 Utilization}, volume = {61}, year = {2022}, month = {JUL}, pages = {102055}, type = {Article}, abstract = {
The utilization of carbon dioxide is one of the developing areas due to its significant contribution to global warming. Reducing carbon dioxide (CO2) to formic acid and its derivatives has gained importance because of its thermodynamic limitations and high industrial demand. In this article, we report the synthesis of dime-thylformamide (DMF) using ruthenium doped Mg/Al calcined hydrotalcite by CO2 hydrogenation in the presence of dimethylamine (DMA). At optimized conditions, complete conversion of dimethylamine was achieved with more than 92\% product yield at 170 degrees C and 13 MPa pressure with a reaction time of 6 h. Key catalyst properties were determined using X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS), CO2-temper-ature programmed desorption (TPD), H-2 temperature-programmed reduction (TPR) and Fourier transform infrared (FTIR). The determination of surface morphology was carried out using field emission scanning electron microscope (FE-SEM) and high-resolution transmission electron microscopy (HR-TEM). At the same time, the chemical composition was verified by energy-dispersive X-ray (EDS). In addition, kinetic modeling is performed using the two site Langmuir-Hinshelwood-Hougen-Watson model. The regressed kinetic parameters gave an appropriate fit with experimental concentration values and activation energy is calculated as 413 kJ/mol K-1.
}, keywords = {Dimethylformamide, Hydrogenation, hydrotalcite, Langmuir-Hinshelwood-Hougen-Watson model, Supercritical carbon dioxide}, issn = {2212-9820}, doi = {10.1016/j.jcou.2022.102055}, author = {Chaudhary, Sagar D. and Rahatade, Shardul S. and Joshi, Sunil S. and Mali, Nilesh A.} } @article {48091, title = {Reference quality genome sequence of Indian pomegranate cv. {\textquoteleft}Bhagawa{\textquoteright} (Punica granatum L.)}, journal = {Frontiers in Plant Science}, volume = {13}, year = {2022}, month = {SEP}, pages = {947164}, type = {Article}, abstract = {
Pomegranate is an important fruit crop for ensuring livelihood and nutrition security in fragile semi-arid regions of the globe having limited irrigation resources. This is a high-value, nutritionally rich, and export-oriented agri-commodity that ensures high returns on investment to growers across the world. Although it is a valuable fruit crop, it has received only a limited genomics research outcome. To fast-track the pomegranate improvement program, de novo whole-genome sequencing of the main Indian cultivar {\textquoteleft}Bhagawa{\textquoteright} was initiated by the Indian Council of Agricultural Research-National Research Center on Pomegranate (ICAR-NRCP). We have demonstrated that a combination of commercially available technologies from Illumina, PacBio, 10X Genomics, and BioNano Genomics could be used efficiently for sequencing and reference-grade de novo assembly of the pomegranate genome. The research led to a final reference-quality genome assembly for {\textquoteleft}Bhagawa{\textquoteright} of 346.08 Mb in 342 scaffolds and an average N50 of 16.12 Mb and N90 of 1088.62 Kb. This assembly covered more than 98\% of the estimated pomegranate genome size, 352.54 Mb. The LTR assembly index (LAI) value of 10 and 93.68\% Benchmarking Universal Single-Copy Orthologs (BUSCO) completeness score over the 1,440 ortholog genes of the completed pomegranate genome indicates the quality of the assembled pomegranate genome. Furthermore, 29,435 gene models were discovered with a mean transcript length of 2,954 bp and a mean coding sequence length 1,090 bp. Four transcript data samples of pomegranate tissues were mapped over the assembled {\textquoteleft}Bhagawa{\textquoteright} genome up to 95\% significant matches, indicating the high quality of the assembled genome. We have compared the {\textquoteleft}Bhagawa{\textquoteright} genome with the genomes of the pomegranate cultivars {\textquoteleft}Dabenzi{\textquoteright} and {\textquoteleft}Taishanhong.{\textquoteright} We have also performed whole-genome phylogenetic analysis using Computational Analysis of Gene Family Evolution (CAFE) and found that Eucalyptus grandis and pomegranate diverged 64 (60-70) million years ago. About 1,573 protein-coding resistance genes identified in the {\textquoteleft}Bhagawa{\textquoteright} genome were classified into 32 domains. In all, 314 copies of miRNA belonging to 26 different families were identified in the {\textquoteleft}Bhagawa{\textquoteright} genome. The reference-quality genome assembly of {\textquoteleft}Bhagawa{\textquoteright} is certainly a significant genomic resource for accelerated pomegranate improvement.
}, keywords = {genome sequencing, hybrid genome assembly, Long Terminal Repeats Assembly Index (LAI), PacBio, pomegranate}, issn = {1664-462X}, doi = {10.3389/fpls.2022.947164}, author = {Roopa Sowjanya, P. and Shilpa, Parashuram and Patil, Goudappa Prakash and Babu, Dhinesh Karuppannan and Sharma, Jyotsana and Sangnure, Vipul R. and Mundewadikar, Dhananjay M. and Natarajan, Purushothaman and Marathe, Arvind Rajiv and Reddy, Umesh K. and Singh, Vikram Nripendra} } @article {48125, title = {Regio-isomerism directed electrocatalysis for energy efficient zinc-air battery}, journal = {iScience}, volume = {25}, year = {2022}, month = {OCT }, pages = {105179}, type = {Article}, abstract = {
We have investigated the role of ligand isomerism in modulating the mechanisms and kinetics associated with charge/ discharge chemistry of an aqueous metal-air battery. The dominant electron-withdrawing inductive effect (-I effect) and the diminished electron-withdrawing resonance effect (-R effect) in the alpha-NO2 isomer noticeably diminishes the rate of oxygen reduction (ORR) and oxygen evolution reactions (OER) on the catalytic Co-center. In their beta-counterpart, the cumulative -I and -R effects noticeably enhance the OER and ORR kinetics on the same catalytic Co-center. Therefore, the regioisomerism of the -NO2 functionality amplifies the kinetics of ORR/OER without influencing their mechanistic pathways. When isomeric electrocatalysts are integrated to aid the charge chemistry of a Zn-air battery, the overpotential could be decreased by similar to 250mV with beta-NO2 isomer leading to a round-trip efficiency as high as 60\%. This work contributes to the design of novel molecular platforms to target the overall round-trip efficiency of energy storage and conversion devices.
}, doi = {10.1016/j.isci.2022.105179}, author = {Mukhopadhyay, Sanchayita and Devendrachari, Mruthyunjayachari Chattanahalli and Kanade, Sandeep C. and Vinod, Chathakudath Prabhakaran and Kotresh, Harish Makri Nimbegondi and Thotiyl, Musthafa Ottakam} } @article {48058, title = {Regioselective synthesis of 1,4,5-trisubstituted 1,2,3-triazole derivatives from alpha,beta-unsaturated carbonyls}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {JUL}, pages = {e202200317}, type = {Article}, abstract = {
The copper-catalyzed oxidative azide-olefin cycloaddition (OAOC) reaction of differently substituted alpha,beta-unsaturated carbonyls with azides provided an efficient method for preparing biologically active 1,4,5-trisubstituted 1,2,3-triazoles. In this study, the cycloaddition reaction was found to be a simple and powerful method for constructing diverse mono- and bis-(1,4,5-trisubstituted 1,2,3-triazole) functionalized heterocyclic compounds in moderate to high yields with great regioselectivity. The XRD-analysis data of one of the bis-triazole derivatives supported the regioselectivity as well as the conformity of the method in the construction of the triazole nucleus. The preliminary antifungal profile against C. albicans was observed with cinnamaldehyde-based triazole derivatives demonstrating promising results.
}, keywords = {alpha, antifungal, beta-Unsaturated carbonyls, Cycloaddition, Dibenzalacetone, Triazole}, issn = {1434-193X}, doi = {10.1002/ejoc.202200317}, author = {Verma, Naimish K. and Bera, Smritilekha and Gonnade, Rajesh and Mondal, Dhananjoy} } @article {47769, title = {Regioselectivity in metalloradical catalyzed C-H bond activation: a theoretical study}, journal = {Journal of Organometallic Chemistry}, volume = {957}, year = {2022}, month = {JAN }, pages = {122179}, type = {Article}, abstract = {Pure quantum mechanical calculations were performed to find out the origin of regioselectivity under the metalloradical catalysis (MRC) by Co(II)-porphyrin, which showed regioselectivity is the inherent property of the aminyl radical generated from the sulfamoyl azide substrate. Different conformational analysis for the transition state from alpha-Co-III-aminyl radical to zeta-Co-III-alkyl radical formation have been studied to find out the most stable conformation for the preferable selectivity. The outcome of our study completely agrees with the reported experimental results. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {C-H activation, DFT, Metalloporphyrin, Metalloradical, Regioselectivity}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2021.122179}, author = {Mukherjee, Anirban and Singh, Ritesh and Mane, Kishor D. and Das, Gourab Kanti} } @article {48386, title = {Reinforcement of electrospun polyurethane fibers with resorcinol-formaldehyde resin}, journal = {Journal of Applied Polymer Science}, volume = {139}, year = {2022}, month = {MAY}, pages = {e52007}, type = {Article}, abstract = {
This work reports a simple method to improve the properties of electrospun nanofibers. The procedure involves developing nanofibers using electrospinning followed by liquid infiltration to reinforce the fibers. Coating of polyurethane nanofibers (PUN) with resorcinol-formaldehyde (RF) significantly improves the properties of PUN. Furthermore, the morphology of fiber interface and the properties of RF coated fibers indicate that RF resin reinforces the interface between the fibers. The method leads to improvement in mechanical properties of PUN. An improvement of about 94\% and 281\% in mechanical properties like tensile strength and modulus, respectively, compared to neat PUN fibers is achieved by coating with 20\% wt/vol of RF solution.
}, keywords = {Dynamic mechanical analysis, electrospinning, liquid infiltration, polyurethane, reinforced nanofibers, resorcinol-formaldehyde}, issn = {0021-8995}, doi = {10.1002/app.52007}, author = {Nair, Kiran Sukumaran and James, Nirmala Rachel} } @article {48037, title = {Remarkable effect of Fe and Se composition on magnetic properties-comparative study of the Fe-Se system at the nanoscale}, journal = {Journal of Physical Chemistry C}, volume = {126}, year = {2022}, month = {MAR}, pages = {4655-4663}, type = {Article}, abstract = {
Herein, for the first time, the correlation between the phase structure and the magnetic properties of the Fe-Se system has been presented for FexSey compounds-where x/y ranges from 1:2 to 1:1. These phases-orthorhombic (FeSe2), monoclinic (Fe3Se4), hexagonal (Fe7Se8), and tetragonal (beta-FeSe)-were synthesized using a one-pot thermal decomposition route at the nanoscale. The magnetic properties vary enormously with change in the Fe/Se ratio due to the change in the Fe2+/Fe3+ ratio, crystal field environment around the Fe ions, magnetocrystalline anisotropy, Fe vacancies, and so forth. Among the four Fe-Se phases studied, two of them, Fe3Se4 and Fe7Se8, are ferrimagnetic below similar to 300 K and show semihard magnetic properties. The other two phases FeSe2 and beta-FeSe exhibiting weaker magnetism are less known for their magnetic properties. All these phases are prone to surface oxidation despite surface passivation, and its effect on the magnetic moment will be pronounced for the phases with weak magnetization such as FeSe2 and beta-FeSe.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.1c10286}, author = {Ghalawat, Monika and Poddar, Pankaj} } @article {48100, title = {Research progress and perspective on lithium/sodium metal anodes for next-generation rechargeable batteries}, journal = {ChemSusChem}, volume = {15}, year = {2022}, month = {JUL}, pages = {e202200504}, type = {Review}, abstract = {
With the development of consumer electronic devices and electric vehicles, lithium-ion batteries (LIBs) are vital components for high energy storage with great impact on our modern life. However, LIBs still cannot meet all the essential demands of rapidly growing new industries. In pursuance of higher energy requirement, metal batteries (MBs) are the next-generation high-energy-density devices. Li/Na metals are considered as an ideal anode for high-energy batteries due to extremely high theoretical specific capacity (3860 and 1165 mAh g(-1) for Li and Na, respectively) and low electrochemical potential (-3.04 V for Li and -2.71 V for Na vs. standard hydrogen electrode). Unfortunately, uncontrolled dendrite growth, high reactivity, and infinite volume change induce severe safety concerns and poor cycle efficiency during their application. Consequently, MBs are far from commercialization stage. This Review represents a comprehensive overview of failure mechanism of lithium/sodium metal anode and its progress for rechargeable batteries through (i) electrolyte optimization, (ii) artificial solid-electrolyte interphase (SEI) layer formation, and (iii) nanoengineering at materials level in current collector, anode, and host. The challenges in current MBs research and potential applications of lithium/sodium metal anodes are also outlined and summarized.
}, keywords = {anode, Batteries, dendrite growth, Electrolytes, Energy storage}, issn = {1864-5631}, doi = {10.1002/cssc.202200504}, author = {Patrike, Apurva and Yadav, Poonam and Shelke, Vilas and Shelke, Manjusha} } @article {48080, title = {Reusable and efficient polystyrene immobilized ionic liquid catalyst for batch and flow methylation of hydroquinone}, journal = {Catalysis Letters}, volume = {152}, year = {2022}, month = {NOV}, pages = {3304-3316}, type = {Article}, abstract = {
An environmentally benign process for synthesizing 4-methoxyphenol through methylation of hydroquinone using polystyrene immobilized Bronsted acidic ionic liquid is presented. The catalyst has been characterized by several techniques, such as solid-state NMR, FTIR, and XRD. The morphological properties were analyzed through SEM and TEM analysis. The elemental analysis was performed using EDS and XPS techniques. The catalyst was thermally stable up to 603 K, which was confirmed by TGA. The chemical interaction between ionic liquid and polystyrene was confirmed by measuring the glass transition temperature of pure polystyrene and catalyst. The BET analysis was performed to estimate the catalyst{\textquoteright}s surface area, pore size, and pore volume. The recyclability of the proposed new catalyst was established up to five recycle runs in the batch mode. In addition, continuous flow experiments were conducted to test the catalytic activity in terms of catalyst life span and showed excellent stability up to 20 h. The rapid separation, long-term stability, and efficient recycling of synthesized polymeric catalysts make an excellent alternative to the commonly used homogeneous catalysts for selective O-methylation of hydroquinone reaction. The newly developed continuous process for synthesizing 4-methoxyphenol with 100\% selectivity suggests good opportunities to reduce energy consumption, which designates a cost-effective process. [GRAPHICS] .
}, keywords = {4-Methoxyphenol, Hydroquinone, O-methylation, Polystyrene immobilized ionic liquid}, issn = {1011-372X}, doi = {10.1007/s10562-022-03918-3}, author = {Bhongale, V. Priyanka and Joshi, Sunil S. and Mali, Nilesh A.} } @article {48226, title = {Review of recent progress in electrospinning-derived freestanding and binder-free electrodes for supercapacitors}, journal = {Coordination Chemistry Reviews}, volume = {460}, year = {2022}, month = {JUN }, pages = {214466}, type = {Review}, abstract = {
The versatile electrospinning technique is scalable and suitable to fabricate highly conducting freestanding carbon nanofiber composite electrodes for energy storage devices. Freestanding/flexible electrodes hold enormous potential for use in wearable electronic devices. Carbon-yielding polymers and the optimal use of sacrificial polymers, metal oxides, and sulfides retain the flexibility and enhance the surface area and pseudocapacitance of electrodes. Both as-prepared electrospun fibers and carbonized nanofibers are compatible with surface decoration via various chemical and electrochemical routes. Metal oxides/sulfides with various morphologies, such as nanocones and nanosheets, can be grown on the carbon nanofibers or on the as-prepared electrospun fibers using chemical synthesis methods such as electro-deposition, hydrothermal processes, and chemical impregnation to enhance the pseudocapacitance of the electrodes. Similarly, the deposition of metal organic frameworks on as-prepared electrospun fibers embellishes these fibers with nanostructures of specific morphologies such as dodecahedral and spindle-shaped structures. Under optimal conditions, these morphologies do not hamper the flexibility of the fibers, and binders are not required to retain them or maintain the electrode integrity. The engineering of electrodes with various morphologies and process parameters is presented systematically. Electrospinning-derived electrodes that have demonstrated significant electrochemical performance are highlighted and critically analyzed, and the energy storage mechanisms of these supercapacitors are described in detail. (C) 2022 Elsevier B.V. All rights reserved.
}, keywords = {Carbon nanofibers, Co-axial, composites, core-shell, electrospinning, Flexible, Porous, supercapacitor}, issn = {0010-8545}, doi = {10.1016/j.ccr.2022.214466}, author = {Joshi, Bhavana and Samuel, Edmund and Kim, Yong-il and Yarin, Alexander L. and Swihart, Mark T. and Yoon, Sam S.} } @article {48103, title = {Review on computational analysis of big data in breast cancer for predicting potential biomarkers}, journal = {Current Topics in Medicinal Chemistry}, volume = {22}, year = {2022}, month = {SEP}, pages = {1793-1810}, type = {Review}, abstract = {
Breast cancer is the most predominantly occurring cancer in the world. Several genes and proteins have been recently studied to predict biomarkers that enable early disease identification and monitor its recurrence. In the era of high-throughput technology, studies show several applications of big data for identifying potential biomarkers. The review aims to provide a comprehensive overview of big data analysis in breast cancer towards the prediction of biomarkers with emphasis on computational methods like text mining, network analysis, next-generation sequencing technology (NGS), machine learning (ML), deep learning (DL), and precision medicine. Integrating data from various computational approaches enables the stratification of cancer patients and the identification of molecular signatures in cancer and their subtypes. The computational methods and statistical analysis help expedite cancer prognosis and develop precision cancer medicine (PCM). As a part of case study in the present work, we constructed a large gene-drug interaction network to predict new biomarkers genes. The gene-drug network helped us to identify eight genes that could serve as novel potential biomarkers.
}, keywords = {Big data, Biomarkers, Breast cancer, Driver genes, Network analysis, text mining}, issn = {1568-0266}, doi = {10.2174/1568026622666220907121942}, author = {Shaikh, Nilofer and Bapat, Sanket and Karthikeyan, Muthukumarasamy and Vyas, Renu} } @article {48053, title = {Review on non-noble metal catalysts for glycerol hydrodeoxygenation to 1,2-propanediol with and without external hydrogen}, journal = {Green Chemistry}, volume = {24}, year = {2022}, month = {SEP}, pages = {6751-6781}, type = {Review}, abstract = {
The depleting petroleum oil resources, political embargos, and global warming dilemma have made it mandatory to develop alternative green technologies for energy and chemical production. Glycerol is one of the top-12 building block chemicals that can be mainly obtained as a coproduct of biodiesel production. The value addition of glycerol is only possible through its conversion to commodity and fine chemicals. Glycerol hydrogenolysis is one of the crucial pathways to produce several value-added products, among which 1,2-propanediol (1,2-PDO), 1,3-propanediol (1,3-PDO), ethylene glycol (EG) and 1-and/or 2-propanols are hydrogenolysis products. Selective glycerol hydrogenolysis to the desired product 1,2-PDO is only possible through the catalyst having an optimum combination of acid/base and metal sites (metallic and mixed oxides). The present review mainly focuses on the critical assessment of the influence of different supports, catalyst preparation methods, and/or pretreatment on structural, and electronic properties and simultaneously on the activity and product selectivity of non-noble metal catalysts. The role of reaction parameters in this industrially important reaction on catalyst performance will also be presented. A rigorous survey of patented literature on non-noble metal-catalyzed glycerol hydrogenolysis to 1,2-PDO is also discussed. Further, the review covers recent progress on non-noble metal-catalyzed autogenous glycerol hydrogenolysis through glycerol aqueous phase reforming (APR) and/or catalytic transfer hydrogenolysis (CTH), to overcome the cost and handling issues of external hydrogen. Finally, techno-economic analysis is also presented which compares the glycerol hydrogenolysis with and without external hydrogen with the conventional process of 1,2-PDO production. This analysis indicated that CTH and glycerol hydrogenolysis under ambient hydrogen pressure have the potential for commercialization, however catalyst stability and elimination of co-product formation at higher glycerol concentration need to be considered critically.
}, issn = {1463-9262}, doi = {10.1039/d2gc01879a}, author = {Mane, Rasika and Jeon, Yukwon and Rode, Chandrashekhar} } @article {48075, title = {Revisiting classical pummerer cyclization reaction: a key strategy for the synthesis of (+/-)-quinagolide}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {JUL}, pages = {e202201600}, type = {Article}, abstract = {
A formal synthesis of (+/-)-quinagolide using beta-alanine as a starting material has been achieved. Late stage intramolecular classical Pummerer reaction has been used as a key synthetic tool to construct octahydrobenzo[g]quinoline skeleton of quinagolide. Conjugative reduction of olefin, regioselective C-alkylation over O-alkylation of beta-ketoester followed by retro-Dieckmann/ Dieckmann reaction sequence has been used as a key reaction sequence to achieve prerequisite sulfoxide for the Pummerer reaction. While revisiting the classical Pummerer reaction, the one-pot sequential thionium ion induced cyclocarbamation followed by N-carbamate deprotection and Friedel-Crafts type Pummerer cyclization was observed as an important finding of the present work.
}, keywords = {Alkylation, Cyclocarbamation, Hyperprolactinemia, rearrangement, Thionium ion}, issn = {2365-6549}, doi = {10.1002/slct.202201600}, author = {Chavan, Subhash P. and Kawale, Sanket A. and Tripathi, Anupam and Kadam, Appasaheb L. and Gonnade, Rajesh G.} } @article {48216, title = {Role of 2D material families in energy harvesting: an editorial overview}, journal = {Journal of Materials Research}, volume = {37}, year = {2022}, month = {NOV }, pages = {3857-3864}, type = {Article}, abstract = {
The ever increasing proportion of an energy consuming society and the boost in industrialization accelerated the depletion of fossil fuel based energy sources at an alarming rate. This emphasizes the necessity of sustainable energy generation and storage to meet the daily energy demands. But, these alternative renewable energy sources like solar and wind power are intermittent and highly depend on weather, place and individuals. This creates the inevitability of suitable energy storage devices like batteries and supercapacitors. The interfacing of energy storing devices is required to maintain the supply chain equilibrium, power efficiency, regulate power fluctuations and reduce pollution. Besides, the boom in electric mobility and consumer electronics also require uninterrupted power supply. Hence, in the upcoming years the energy storing devices play a vital role in addressing the energy crisis. Innovations in new materials and technologies will be the core area of research and development in the coming future. 2D materials like graphene,transition metal carbides and nitrides (MXenes), transition metal borides (MBenes) and so on are the new class of materials among them MXenes are getting more attention in energy storage owing to its exceptional properties.
}, issn = {0884-2914}, doi = {10.1557/s43578-022-00721-z}, author = {Raghavan, Prasanth and Ahn, Jou-Hyeon and Shelke, Manjusha} } @article {46609, title = {Role of cysteines in accelerating Tau filament formation}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {40}, year = {2022}, month = {JUN}, pages = {4366-4375}, type = {Article}, abstract = {
Alzheimer{\textquoteright}s disease is majorly associated with intracellular accumulation of Tau into paired helical filaments and tangles. The self-aggregated dimeric and oligomeric species of Tau formed are more toxic to neuronal cells and acts as seeds for filament formation. The two cysteine residues and the two hexapeptide regions of full-length Tau play a key role in initialization and filament formation during Tau aggregation. The role of cysteine residues in Tau aggregation has been studied by in-vitro aggregation assay that was measured by Thioflavin S fluorescence to observe the kinetics of aggregation. In this study, we have performed in-vitro aggregation assay with recombinant full-length Tau and the cysteine mutants to understand the mechanism of cysteine independent Tau aggregation. Here, we report that cysteine mutant full-length Tau can aggregate to form filaments under in-vitro conditions. To visualize the polymorphisms of Tau and cysteine mutants under different aggregation conditions anionic cofactor, heparin was employed. Wild-type Tau showed rapid aggregation to form oligomers and filaments. On the other hand, the cysteine mutant delayed the initial Tau aggregation. This indicates the importance of cysteine residues in accelerating initial Tau nucleation for its aggregation. The filament morphology of wild-type and cysteine mutant Tau has been characterized using transmission electron microscopy and high-resolution transmission electron microscopy. Communicated by Ramaswamy H. Sarma
}, keywords = {Heparin-induced aggregation, Paired helical filaments, Tau Aggregation, Tau Oligomers, tau protein}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1856720}, author = {Chidambaram, Hariharakrishnan and Chinnathambi, Subashchandrabose} } @article {47656, title = {Role of facet in the competitive pathway of ethylene epoxidation}, journal = {Surface Science}, volume = {716}, year = {2022}, month = {FEB}, pages = {121954}, type = {Article}, abstract = {Ethylene epoxide (EtO) is used as raw material for a broad range of products from pharmaceuticals and plastics to paints and adhesives. Although the reaction of ethylene interacting with preadsorbed oxygen on Ag surface is known for decades, the underlying mechanism of EtO formation is not completely understood. Successful investigation of oxametallacycle (OMC) intermediate common to selective as well as non-selective pathways has ensured at least 50\% selectivity. The current study brings out the electronic signatures of distinct conformers of OMC stabilised on two different facets of Ag viz. (100) and (111). There are subtle differences between OMC conformers observed on these two facets with near-eclipsed on Ag(100) and near-staggered on Ag(111). A detailed analysis of Ag-O, C-O, C-C, and Ag-C interactions along with projected Density of States (pDOS) and projected Crystal Orbital Hamilton Population (pCOHP) imply towards ring closure on Ag(100) and hydrogen transfer on Ag(111). Finally, our understanding based on electronic and structural signatures are backed up by activation barriers computed through NEB calculations. Activation barrier for EtO is lower on (100) as compared to (111) facet. Thus, our study sheds light on how these differences between OMC affect the selectivity towards EtO.}, keywords = {Ag(100), Ag(111), DFT, epoxidation, Ethylene Oxide (EtO), OMC}, issn = {0039-6028}, doi = {10.1016/j.susc.2021.121954}, author = {Nair, Aathira and Kenge, Nivedita and Joshi, Kavita} } @article {48059, title = {Rongalite as a sulfone source: sulfonylation of para-quinone methides and alkyl/allyl halides}, journal = {Chemistry-an Asian Journal}, volume = {17}, year = {2022}, month = {AUG}, pages = {e202200408}, type = {Article}, abstract = {
A one-pot three-component reaction using p-quinone methides, rongalite and alkyl/allyl halides has been described. The corresponding unsymmetrical sulfones were obtained in good yields under mild reaction conditions in the absence of any metal, base or any other additive.
}, keywords = {Alkyl halides, diaryl methine, p-Quinone methide, rongalite, sulfonylation}, issn = {1861-4728}, doi = {10.1002/asia.202200408}, author = {Kale, Someshwar B. and Jori, Popat K. and Das, Utpal} } @article {48102, title = {Room temperature chemoselective hydrogenation of C=C, C=O and C=N bonds by using a well-defined mixed donor Mn(I) pincer catalyst}, journal = {Chemical Science}, volume = {13}, year = {2022}, month = {NOV }, pages = {13764-13773}, type = {Article}, abstract = {
Chemoselective hydrogenation of C=C, C=O and C=N bonds in alpha,beta-unsaturated ketones, aldehydes and imines is accomplished at room temperature (27 degrees C) using a well-defined Mn(I) catalyst and 5.0 bar H-2. Amongst the three mixed-donor Mn(I) complexes developed, kappa(3)-((PNNPyz)-P-R2-N-3)Mn(CO)(2)Br (R = Ph, Pr-i, Bu-t); the Bu-t -substituted complex ((PNNPyz)-P-tBu2-N-3)Mn(CO)(2)Br shows exceptional chemoselective catalytic reduction of unsaturated bonds. This hydrogenation protocol tolerates a range of highly susceptible functionalities, such as halides (-F, -Cl, -Br, and -I), alkoxy and hydroxy, including hydrogen-sensitive moieties like acetyl, nitrile, nitro, epoxide, and unconjugated alkenyl and alkynyl groups. Additionally, the disclosed method applies to indole, pyrrole, furan, thiophene, and pyridine-containing unsaturated ketones leading to the corresponding saturated ketones. The C=C bond is chemoselectively hydrogenated in alpha,beta-unsaturated ketones, while the aldehyde{\textquoteright}s C=O bond and imine{\textquoteright}s C=N bond are preferentially reduced over the C=C bond. A detailed mechanistic study highlighted the non-innocent behavior of the ligand in the ((PNNPyz)-P-tBu2-N-3) Mn(I) complex and indicated a metal-ligand cooperative catalytic pathway. The molecular hydrogen (H-2) acts as a hydride source, whereas MeOH provides a proton for hydrogenation. DFT energy calculations supported the facile progress of most catalytic steps, involving a crucial turnover-limiting H-2 activation.
}, issn = {2041-6520}, doi = {10.1039/d2sc05274a}, author = {Shabade, Anand B. and Sharma, Dipesh M. and Bajpai, Priyam and Gonnade, Rajesh G. and Vanka, Kumar and Punji, Benudhar} } @article {48118, title = {Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts}, journal = {Catalysis Science \& Technology}, volume = {12}, year = {2022}, month = {MAR }, pages = {1843-1849}, type = {Article}, abstract = {
Hemilabile and phosphine-free quinolinyl-based NNN-type pincer and non-pincer cobalt complexes were developed for the room temperature catalytic transfer semi-hydrogenation of alkynes to Z-alkenes. Treatment of the quinolinyl-amine ligand, [C9H6N(NH)CH2CH2NEt2] ((NNN2NEt2)-N-Q-N-CH)-H with CoX2 afforded the pincer complexes kappa(3)-((NNN2NEt2)-N-Q-N-CH)CoX2 (X = Cl, Br), whereas, the quinolinyl-amide ligand, [C9H6N(NH)C(O)CH2NEt2] ((NNNNEt2)-N-Q-N-C(O))-H gave chelate anionic complexes kappa(2)-((NN)-N-Q)CoX2((NHNEt2)-H-C(O)) (X = Cl, Br). The well-defined anionic non-pincer cobalt complexes efficiently catalyzed the semi-hydrogenation of diverse alkynes to deliver highly chemoselective and stereodivergent Z-alkenes at room temperature. This hydrogenation exhibited broad substrate scope with the tolerance of sensitive functional groups, such as -Cl, -Br, -I, -OH, -NH2, -COOMe, and pyridinyl, employing a stable and user-friendly ammonia borane hydrogen source.
}, issn = {2044-4753}, doi = {10.1039/d2cy00027j}, author = {Sharma, Dipesh M. and Gouda, Chandrakant and Gonnade, Rajesh G. and Punji, Benudhar} } @article {48163, title = {Ru, Pd doped WO3 nanomaterials: a synergistic effect of noble metals to enhance the acetone response properties}, journal = {Ceramics International}, volume = {48}, year = {2022}, month = {JUN}, pages = {17923-17933}, type = {Article}, abstract = {
Noble metals (NMs) have an enormous impact on the intrinsic properties of the metal oxides. We report the synergistic effect of Ruthenium (Ru) and Palladium (Pd) noble metals on the enhancement of gas sensing properties of pure tungsten oxide (WO3). The gas sensing material is synthesized by simple and straight forward precipitation route, and its physico-chemical analyses are determined using XRD, FESEM, TEM/HRTEM, FFT, UV-Vis, XPS, EDAX, and BET measurements. Use of the developed material as a gas sensor is evaluated using several target gases (oxidizing as well as reducing), with acetone showing the best selectivity. The noble metal doping and hence catalytic action improved the gas response qualities. The synergistic effect of Ru and Pd on WO3 gas response properties are identified, where the effect is 99.80\% sensitivity, and lower response/recovery time (10 s and 2 min) at 300 degrees C operating temperature. Nonetheless, the sensors displayed better gas sensing properties even at lower operating temperatures ranging from 200 to 275 degrees C. In addition, the synergistic effect has displayed the dramatic enhancement in the sensitivity to 76.44\% at barely 10 ppm acetone concentration. This particular result will undoubtedly be helpful for diagnostic purpose of diabetic patients, and a strong candidate for prospective gas sensing applications, particularly acetone.
}, keywords = {Acetone vapours, Precipitation route, Ru -Pd doping, synergistic effect, WO3}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2022.03.065}, author = {Kodam, Pavan M. and Ghadage, Pandurang A. and Nadargi, Digambar Y. and Shinde, K. P. and Mulla, Imtiaz S. and Park, J. S. and Suryavanshi, Sharad S.} } @article {48344, title = {Scalable mechanochemical synthesis of beta-ketoenamine-linked covalent organic frameworks for methane storage}, journal = {Chemistry-An Asian Journal}, volume = {17}, year = {2022}, month = {DEC}, type = {Article}, abstract = {
In the current scenario of increased pollution and releasing toxic gases by burning petroleum products, switching to natural gas is more promising for reducing CO2 emissions and air pollutants. Hence, research on Liquefied Natural Gas and Compressed Natural Gas is gaining more value. However, natural gas primarily consists of CH4, which has less energy density than conventional fuels. Interestingly, since the C-H ratio of CH4 gas is 1 : 4, it is easily combustible, gives less carbon footprint, and reduces unburnt hydrocarbon pollution. Hence, research on storing and transporting CH4 has utmost importance, and porous materials are one of the suitable candidates for storing CH4. Herein we report the scalable synthesis of highly porous and crystalline covalent organic frameworks for storing CH4 at room temperature and pressure. Two COFs, namely, Tp-Azo and Tp-Azo-BD(Me)(2), synthesized in 1 kg at similar to 45 g batch scale using a Planetary mixer, displayed a maximum BET surface area of around 3345 m(2)/g, and 2342 m(2)/g and CH4 storage of 174.10 cc/cc and 151 cc/cc, respectively. A comparison of the CH4 sorption of Tp-Azo and Tp-Azo-BD(Me)(2) COFs synthesized in different batches has a variation of only +/- 5 cc/cc and shows the consistency in bulk scale synthesis of COFs. The cyclic equilibrium CH4 adsorption studies showed the COFs are stable with consistent CH4 adsorption and desorption cycles. The present study is a step towards the scalable mechanochemical synthesis of COFs for gas storage applications.
}, keywords = {CH4 storage, COF, porous material, scalable synthesis}, issn = {1861-4728}, doi = {10.1002/asia.202201012}, author = {Asokan, Kiran and Patil, Manoj Krishnat and Mukherjee, Shatabdi Porel and Sukumaran, Santhosh Babu and Nandakumar, T.} } @article {48219, title = {Scan-find-scan-model: discrete site-targeted suppressor design strategy for amyloid-beta}, journal = {ACS Chemical Neuroscience}, volume = {13}, year = {2022}, month = {JUL}, pages = {2191-2208}, type = {Article}, abstract = {
Alzheimer{\textquoteright}s disease is undoubtedly the most well-studied ranks at the top in terms of getting attention from the scientific community for structural property-based characterization. Even after decades of extensive research, there is existing volatility in terms of understanding and hence the effective tackling procedures against the disease that arises due to the lack of knowledge of both specific targetand site-specific drugs. Here, we develop a multidimensional approach based on the characterization of the common static-dynamic-thermodynamic trait of the monomeric protein, which efficiently identifies a small target sequence that contains an inherent tendency to misfold and consequently aggregate. The robustness of the identification of the target sequence comes with an abundance of a priori knowledge about the length and sequence of the target and hence guides toward effective designing of the target-specific drug with a very low probability of bottleneck and failure. Based on the target sequence information, we further identified a specific mutant that showed the maximum potential to act as a destabilizer of the monomeric protein as well as enormous success as an aggregation suppressor. We eventually tested the drug efficacy by estimating the extent of modulation of binding affinity existing within the fibrillar form of the A beta protein due to a single-point mutation and hence provided a proof of concept of the entire protocol.
}, keywords = {configurational misfoldability, drug developability, inherent frustration, potential aggregability, sequence-based mutability, target specificity}, issn = {1948-7193}, doi = {10.1021/acschemneuro.2c00272}, author = {Bhagavatula, Hasathi and Sarkar, Archishman and Santra, Binit and Das, Atanu} } @article {48170, title = {Screening of osmotic stress-tolerant bacteria for plant growth promotion in wheat (Triticum aestivum L.) and brinjal (Solanum melongena L.) under drought conditions}, journal = {Letters in Applied Microbiology}, volume = {75}, year = {2022}, month = {NOV}, pages = {1286-1292}, type = {Article}, abstract = {
Drought stress adversely affects plant growth and productivity. Therefore, the application of plant growth-promoting bacteria is a viable option for combating drought resistance in crops. In this study, 144 bacteria were isolated from the Kutch desert soil in Gujarat. Based on osmotic stress tolerance and PGP properties, two strains, Bacillus tequilensis (KS5B) and Pseudomonas stutzeri (KS5C) were tested for their effect on wheat (Triticum aestivum L.) and brinjal (Solanum melongena L.) under drought stress conditions. Inoculation with osmotic stress-tolerant bacteria showed 15 center dot 15-29 center dot 27\% enhancement in root length of wheat and 15 center dot 27-32 center dot 59\% in brinjal plants. Similarly, the enhancement of shoot length ranged from 14 center dot 72 to 37 center dot 70\% for wheat and 59 center dot 39-95 center dot 94\% for brinjal plants. Furthermore, the inoculated plants showed significant improvement in chlorophyll content and antioxidant properties such as proline, peroxidase and polyphenol oxidase activity compared to the control. Therefore, the bacterial strains identified in this study can be used to mitigate drought stress and enhance plant biomass.
}, keywords = {Antioxidant, brinjal, drought, plant growth, Wheat}, issn = {0266-8254}, doi = {10.1111/lam.13797}, author = {Patel, P. and Patil, T. and Maiti, S. and Paul, D. and Amaresan, N.} } @article {47830, title = {Selective electro-oxidation of phenol to 1,4-hydroquinone employing carbonaceous electrodes: surface modification is the key}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {JAN}, pages = {2518-2525}, type = {Article}, abstract = {The oxidation of phenol leading to 1,4-hydroquinone with high conversion, remarkable selectivity and an excellent yield (87\% isolated) has been accomplished under electrolytic conditions in an aqueous medium employing carbon-based electrodes. To achieve this, various factors such as electrode stability, repeatability, and the type of product formed by the electrochemical oxidation of phenol have been investigated using cyclic voltammetry first and then organic transformations under optimized conditions were accomplished by constant current electrolysis. The voltammetric data clearly show that electrochemically generated intermediates passivate the surface of the typically used electrodes, leading to a decrease in their activity, which is a major problem concerning the transformation of phenol electro-oxidation to an industrially adaptable process. In this work, it is established that such difficulties could be circumvented using surface modified carbonaceous electrodes having disordered graphene-like structures and oxygen functional groups. It is also demonstrated that surface modified reticulated vitreous carbon (RVC) based electrodes could be used for electro-oxidation of phenol at a reasonably large scale. The electrolysis conditions have been optimized based on the mechanistic understanding leading to remarkable conversion of phenol with 87\% selectivity to 1,4-hydroquinone.}, doi = {10.1039/D1NJ04640C}, url = {http://dx.doi.org/10.1039/D1NJ04640C}, author = {Baravkar, Mayur D. and Prasad, Bhagavatula L. V.} } @article {47731, title = {Selective production of C9 monomeric phenols via hydrogenolysis of lignin using Pd-(W/Zr/Mo oxides)-supported on biochar catalyst}, journal = {Fuel}, volume = {308}, year = {2022}, month = {JAN }, pages = {121818}, type = {Article}, abstract = {Valorizing lignin to phenolic monomers and fine chemicals is an essential component of a sustainable biorefinery that uses lignocellulosic feedstocks. In this study, Pd-metal oxides (ZrO2, WOx, MoO3) supported on activated biochar (ABC) catalysts were developed for hydrogenolysis of lignin. The metals (2\% Pd, 5\% Zr, 5\% W, 5\% Mo) were supported on activated biochar using the wetness impregnation method, and the catalysts were extensively characterized. The effect of addition of secondary metals on active surface properties such as acidity, Pd metal particle size and dispersion were also evaluated. The selectivity to C9 monomeric phenols followed the trend: 2Pd-5Mo/ABC (57.3\%) > 2Pd-5Zr/ABC (49.2\%) > 2Pd-5W/ABC (45\%) > 2Pd/ABC (42.9\%). The maximum C9 phenolic monomer yield achieved in this study was similar to 22 wt\%. The fractional conversion of lignin was 67-69\% with Pd-metal oxide catalysts. The presence of Mo in the catalyst inhibited the hydrogenation of aliphatic C-alpha = C-beta in lignin and led to the formation of t-isoeugenol, while the presence of W and Zr resulted in selective formation of the hydrogenated product, propyl guaiacol. Using model compounds, it is proved that the formation of propyl guaiacol is via hydrogenation of t-isoeugenol, and not through dehydroxylation of propanol guaiacol. The dehydroxylation activity of the catalysts is attributed to the higher Lewis acidity and electropositive nature of the metals. A notable carbon atom economy of 47-50\% towards total phenolic monomers was achieved with 2Pd/ABC, 2Pd-5Mo/ABC and 2Pd-5Zr/ABC catalysts.}, keywords = {Activated biochar, Guaiacol, Hydrogenolysis, lignin, Metal oxides, Palladium}, issn = {0016-2361}, doi = {10.1016/j.fuel.2021.121818}, author = {Gurrala, Lakshmiprasad and Kumar, M. Midhun and Sharma, Shweta and Paek, Changyub and Vinu, R.} } @article {48178, title = {{\textquoteleft}Self-activating{\textquoteright} Bi3TaO7-Bi4TaO8Br photocatalyst and its use in the sustainable production of pro-fluorophoric rhodamine-110}, journal = {Green Chemistry}, volume = {24}, year = {2022}, month = {JUL}, pages = {5514-5523}, type = {Article}, abstract = {
We counter two common notions that (i) photocatalysts are likely to degrade during use with barely any strategy to counter it and (ii) rhodamine-B (RhB) photo-degradation lacks any useful or commercial prospects even after 53 years of its discovery by developing a photocatalyst that continues to improve its activity for similar to 300 h due to a leaching induced {\textquoteleft}self-activation{\textquoteright} process. Rhodamine-110 (Rh110) is a widely used pro-fluorophore in biological studies. However, its commercial production is highly challenging due to the formation of various side-products originating from the presence of the two labile amino side-groups that induce the pro-fluorophore activity, leading to purification difficulties, low yield, and unusually high costs. Herein, we demonstrate a facile strategy to produce pure Rh110 using extremely inexpensive RhB and Bi3TaO7-Bi4TaO8Br heterostructures as a catalyst in sunlight. The catalyst is not just stable over 30 catalytic cycles but also gets activated continuously in successive cycles to produce a reaction yield as high as 88\%. The role of the heterostructure, the origin of surface activation, and the RhB -\> Rh110 transformation mechanism have been established. Based on 150 days of sunlight experiments, large-scale production prospects (similar to 4000 times scale-up) and isolation of Rh110 have also been realized, paving a novel way for its production by anyone, inexpensive biological essaying, and device fabrication. Continuously improving catalysts are unknown and compensatory leaching of metal atoms from the catalyst surface may pave the way to realize them.
}, issn = {1463-9262}, doi = {10.1039/d2gc01574a}, author = {Banoo, Maqsuma and Chatterjee, Kaustav and Mondal, Sanjit and Vinod, C. P. and Gautam, Ujjal K.} } @article {48004, title = {Shape-controlled nanostructured MoO3/CeO2 catalysts for selective cyclohexene epoxidation}, journal = {Catalysis Communications}, volume = {164}, year = {2022}, month = {APR}, pages = {106433}, type = {Article}, abstract = {
This study reported a vital role of CeO2 shape on the structure-activity properties of MoOx/CeO2 catalysts for cyclohexene epoxidation. Uniform dispersion of MoOx on the surface of shape-controlled CeO2 nanocubes (average particle size: 23.5 nm) and nanorods (average width: 6.3 nm and length: 15-95 nm) was found in MoOx/CeO2 nanomaterials. The MoOx/CeO2 nanocubes showed higher epoxide selectivity (97.3\%) with 98.9\% cyclohexene conversion, although it has lower BET surface area (30.2 m(2)/g) compared with MoOx/CeO2 nanorods (72.8 m(2)/g). The presence of more electropositive Mo6+ species and the strong Mo-Ce interaction led to improved catalytic efficacy of MoOx/CeO2 nanocubes in cyclohexene epoxidation.
}, keywords = {CeO2 nanocubes, CeO2 shapes, Nanosized MoOx/CeO2 catalyst, Selective epoxidation, Structure-activity properties}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106433}, author = {Sudarsanam, Putla and Singh, Nittan and Kalbande, Pavan Narayan} } @article {48176, title = {Silk fibroin and recombinant elastin blend nano-coatings for implantable medical devices}, journal = {Materials Today Communications}, volume = {33}, year = {2022}, month = {DEC}, pages = {104875}, type = {Article}, abstract = {
Silicone breast implants are conventionally used to reconstruct the shape and size of the breast in breast cancer patients. However, rate of failure of implants due to formation of capsular contracture is significantly high. Recent studies have shown that coating the surface of the implant with a biocompatible polymer can mitigate this risk. Here, we have modified the surface of implant using a biocompatible natural biopolymer silk fibroin (SF). Further, we have developed formulations of SF with a recombinantly produced elastin-like-peptide (ELP) and compared their performance with a known anti-fouling hydrophilic polymer - polyethylene oxide (PEO). Microscopic and spectroscopic characterization confirm the formation of uniform coatings. These coatings have been also characterized for their ability to resists crack formation. Further, the coatings have been evaluated for their biological performance. Our studies show that addition of 25 wt\% of ELP to SF significantly enhances the crack resistance for the coatings. In addition, SF/ELP coatings reduce the adsorption of blood plasma proteins by more than 80 \%. Preliminary analysis shows that the SF/ELP blend coatings are non-cytotoxic and support adhesion, growth and proliferation of fibroblast cells. The study therefore demonstrates that SF/ELP coatings have the potential to mitigate the risk of breast implant failure.
}, keywords = {Blood plasma, Crack resistance, Protein adsorption, Recombinant elastin, Silk fibroin}, doi = {10.1016/j.mtcomm.2022.104875}, author = {Joseph, Emmanuel and Kane, Kartiki and Parekh, Nimisha and Nisal, Anuya and Janorkar, V. Amol} } @article {48079, title = {Silk fibroin microparticle scaffold for use in bone void filling: safety and efficacy studies}, journal = {ACS Biomaterials Science \& Engineering}, volume = {8}, year = {2022}, month = {MAR}, pages = {1226-1238}, type = {Article}, abstract = {
Silk fibroin (SF) is a natural biocompatible protein polymer extracted from cocoons of silkworm Bombyx mori. SF can be processed into a variety of different forms and shapes that can be used as scaffolds to support bone regeneration. Threedimensional (3D) SF scaffolds have shown promise in bone-void -filling applications. In in vitro studies, it has been demonstrated that a microparticle-based SF (M-RSF) scaffold promotes the differentiation of stem cells into an osteoblastic lineage. The expression of differentiation markers was also significantly higher for M-RSF scaffolds as compared to other SF scaffolds and commercial ceramic scaffolds. In this work, we have evaluated the in vitro and in vivo biocompatibility of M-RSF scaffolds as per the ISO 10993 guidelines in a Good Laboratory Practice (GLP)-certified facility. The cytotoxicity, immunogenicity, genotoxicity, systemic toxicity, and implantation studies confirmed that the M-RSF scaffold is biocompatible. Further, the performance of the MRSF scaffold to support bone formation was evaluated in in vivo bone implantation studies in a rabbit model. Calcium sulfate (CaSO4) scaffolds were chosen as reference material for this study as they are one of the preferred materials for bone-void -filling applications. M-RSF scaffold implantation sites showed a higher number of osteoblast and osteoclast cells as compared to CaSO4 implantation sites indicating active bone remodeling. The number density of osteocytes was double for M-RSF scaffold implantation sites, and these M-RSF scaffold implantation sites were characterized by enhanced collagen deposition, pointing toward a finer quality of the new bone formed. Moreover, the M-RSF scaffold implantation sites had a negligible incidence of secondary fractures as compared to the CaSO4 implantation sites (similar to 50\% sites with secondary fracture), implying a reduction in postsurgical complications. Thus, the study demonstrates that the M-RSF scaffold is nontoxic for bone-void -filling applications and facilitates superior healing of fracture defects as compared to commercial calcium-based bone void fillers.
}, keywords = {Biocompatibility, biological safety, bone void filler, ISO 10993, M-RSF, Serioss, Silk fibroin}, issn = {2373-9878}, doi = {10.1021/acsbiomaterials.1c01103}, author = {Deshpande, Rucha and Shukla, Swati and Kale, Amod and Deshmukh, Narendra and Nisal, Anuya and Venugopalan, Premnath} } @article {48405, title = {Silver dependent enantiodivergent gold(i) catalysed asymmetric intramolecular hydroamination of alkenes: a theoretical study}, journal = {Catalysts}, volume = {12}, year = {2022}, month = {NOV}, pages = {1392}, type = {Article}, abstract = {
We report a theoretical study of the first silver-dependent enantiodivergent gold-catalysed reaction. The combination of a single chiral binuclear gold(I) chloride complex and silver perchlorate catalyses the asymmetric intramolecular hydroamination of alkenes and affords both enantiomers of the products by applying a simple solvent change from toluene to methanol. A gold-silver chloride adduct that occurs only in methanol appears to control the enantioinversion. If one gold atom coordinates and activates the alkene moiety, the other gold is included in an adduct with silver chloride, which coordinates a methanol solvent molecule and further interacts with the amine function. If the use of toluene implies free anions and affords (S)-enantiomer, methanol allows a proximal interaction with the amine, leads to an opposite stereodifferentiation of the two diastereomeric intermediates during the final protodeauration step and results in the (R)-enantiomer.
}, keywords = {alkene, enantiodivergent catalysis, Gold, hydroamination, Silver}, doi = {10.3390/catal12111392}, author = {Dixit, Ruchi and Sharma, Himanshu and Agbossou-Niedercorn, Francine and Vanka, Kumar and Michon, Christophe} } @article {47834, title = {Silver-catalyzed [3 + 3]-annulation cascade of alkynyl alcohols and α,β-unsaturated ketones for the regioselective assembly of chromanes}, journal = {Organic Chemistry Frontiers}, volume = {9}, year = {2022}, month = {JAN}, pages = {802-809}, type = {Article}, abstract = {An unprecedented Ag(i)-catalyzed [3 + 3]-annulation of alkynyl alcohols (5-hexyn-1-ols) and α,β-unsaturated ketones is reported to construct simple to complex chromanes. This transformation begins with hydroalkoxylation of alkynol through C{\textendash}C triple bond activation to give cyclic-enol ether, followed by intermolecular 1,4-addition and intramolecular 1,2-addition of enol ethers onto the enone and oxidative aromatization or Grob-type elimination steps. Facile reaction conditions, broad substrate scope, good to excellent yields, and atom economy are the salient features of this protocol. Isolation of the active pyran-tethered cyclohexadiene reaction intermediate, additional supporting experiments, and DFT calculations strongly support the experimental findings and corroborate our proposed mechanism.}, issn = {2052-4129}, doi = {10.1039/D1QO01643A}, author = {Nakate, Ashwini K. and Thorat, Sagar S. and Jain, Shailja and Rama Krishna, Gamidi and Vanka, Kumar and Kontham, Ravindar} } @article {47998, title = {Single-step insertion of M-Nx moieties in commercial carbon for sustainable bifunctional electrocatalysis: mapping insertion capacity, mass loss, and carbon reconstruction}, journal = {Carbon}, volume = {196}, year = {2022}, month = {AUG}, pages = {1001-1011}, type = {Article}, abstract = {
Atomically dispersed earth-abundant metals in N-doped carbon (M-N-Cs) have emerged as a new class of electroactive materials that can match not only the performance of the precious metals but can catalyze both the cathodic and the anodic reactions due to their bifunctional behaviour. This inspires the development of simpler strategies for scale-up production since the existing ones rely on precursors whose commercial viability is not yet ascertained. Herein, we demonstrate the insertion prospects of M-Nx (M = Fe, Co, Ni) moieties, the electrocatalytic centers in the M-N-Cs, into commercial carbon to establish that a single-step heating of the inexpensive precursors is sufficient to generate bifunctional electrocatalysts for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) with efficiencies that bypass the majority of the known catalysts. Further importantly, we quantify both the ORR and OER trends and the metal insertion limits for each metal while maintaining an atomic dispersion, without the formation of surface migration-induced clustering, because such clustering is inevitable in the existing processes to necessitate an extra acid-leaching step to remove them. We further quantify and explain for each metal a negative mass balance originating from anomalous mass loss of both metal and carbon content, and a massive reconstruction of the carbon backbone catalyzed by the very metal, an event documented for the first time though it ought to be associated with other M-N-C syntheses too. The study establishes an incredibly simple and inexpensive strategy for the realization of M-N-Cs and outlines the parameters to be considered during mass-production.
}, keywords = {Bifunctional catalysis, Carbon reconstruction, Commercial carbon, Metal insertion, Oxygen electrocatalysis}, issn = {0008-6223}, doi = {10.1016/j.carbon.2022.06.008}, author = {Garg, Reeya and Sahoo, Lipipuspa and Kaur, Komalpreet and Vinod, C. P. and Gautam, Ujjal K.} } @article {48232, title = {Single-step synthesis of exfoliated Ti3C2Tx MXene through NaBF4/HCl etching as electrode material for asymmetric supercapacitor}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {MAY}, pages = {e202201166}, type = {Article}, abstract = {
Two-dimensional Ti3C2Tx MXene, derived from the parent Ti3AlC2 phase, is considered a promising electrode material for electrochemical energy storage applications. Ti3C2Tx MXene synthesis methods often employ concentrated hydrofluoric acid (HF), which is harsh, corrosive, and hazardous to the environment. Herein, we report the preparation of Ti3C2Tx MXene following a new synthetic route under a mild reaction condition comprising an aqueous solution of NaBF4 and HCl. This etching environment at a moderate temperature of 130 degrees C effectively removes the Al layer of the Ti3AlC2 precursor, assisted by the in situ formed HF in the reaction medium. Electron microscopy images of the as-prepared Ti3C2Tx (MX-130) reveal a partially exfoliated nanosheet-like morphology. The material displays a specific capacitance of 262 F g(-1) (three-electrode assembly, 1 A g(-1), -0.85 to -0.25 V vs. Hg/Hg2SO4) in 1 M H2SO4 electrolyte. The achieved specific capacitance is superior to that of Ti3C2Tx prepared via the common HF-treatment (25 F g(-1)). Additionally, the potential application of the optimized MXene as a negative electrode material is demonstrated in a quasi-solid-state RuO2|MX-130 asymmetric supercapacitor device.
}, keywords = {asymmetric supercapacitor, Electrochemistry, Fluoride salt etchant, Layered electrode materials, Transition metal carbides}, issn = {2365-6549}, doi = {10.1002/slct.202201166}, author = {Ghosh, Meena and Szunerits, Sabine and Cao, Ning and Kurungot, Sreekumar and Boukherroub, Rabah} } @article {48126, title = {Six-membered saturated NHC-stabilized borenium cations: isolation of a cationic analogue of borinic acid}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {AUG}, pages = {12991-12997}, type = {Article}, abstract = {
The reaction of six-membered saturated NHC [1,3-di(2,6-diisopropylphenyl) tetrahydropyrimidine-2-ylidene; henceforth abbreviated as 6-SIDipp] with PhBCl2 yields a Lewis base adduct, 6-SIDipp.PhBCl2 (1), which readily undergoes nucleophilic substitution reaction with AgNO3, leading to the single (2) and double (3) substitution of both chlorides with ONO2 moieties at the boron atom. The reaction of 1 with 1 equiv of AlCl3 resulted in a borenium cation of composition [6-SIDipp.B(Ph)Cl]+ (4) with AlCl4- as the counteranion. Although borenium cations with different substituents on boron have been reported, a structurally characterized phenylchloroborenium cation remains unknown. Similarly, the reaction of 1 with triflic acid provides the first representative of a new class of borenium cations bearing one hydroxyl and one phenyl group on boron (5), a cationic analogue of borinic acid. Ph-BN H Diphenylborinic acid
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c00611}, author = {Kundu, Gargi and Balayan, Kajal and Tothadi, Srinu and Sen, Sakya S.} } @article {48400, title = {Size-dependent order-disorder crossover in hydrophobic hydration: comparison between spherical solutes and linear alcohols}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {JAN}, pages = {2671-2678}, type = {Article}, abstract = {
Theory and computer simulation studies have predicted that water molecules around hydrophobic molecules should undergo an order-disorder transition with increasing solute size around a 1 nm length scale. Some theories predict the formation of a clathrate-like ordered structure around smaller hydrophobic solutes (\<1 nm) and the formation of disordered vapor-liquid interfaces around larger solutes (\>1 nm) and surfaces. Experimental validation of these predictions has often been elusive and contradictory. High-resolution Raman spectroscopy has detected that water around small hydrophobic solutes shows a signature similar to that of bulk water at lower temperature (increased ordering and a stronger hydrogen-bonded network). Similarly, water around larger solutes shows an increasing population of dangling OH bonds very similar to higher temperature bulk water. Thus, the solute size dependence of the structure and dynamics of water around hydrophobic molecules seems to have an analogy with the temperature dependence in bulk water. In this work, using atomistic classical molecular dynamics (MD) simulations, we have systematically investigated this aspect and characterized this interesting analogy. Structural order parameters including the tetrahedral order parameter (Q), hydrogen bond distribution, and vibrational power spectrum highlight this similarity. However, in contrast to the experimental observations, we do not observe any length-dependent crossover for linear hydrophobic alcohols (n-alkanols) using classical MD simulations. This is in agreement with earlier findings that linear alkane chains do not demonstrate the length-dependent order-disorder transition due to the presence of a sub-nanometer length scale along the cross section of the chain. Moreover, the collapsed state of linear hydrocarbon chains is not significantly populated for smaller chains (number of carbons below 20). In the context of our computational results, we raise several pertinent questions related to the sensitivity of various structural and dynamical parameters toward capturing these complex phenomena of hydrophobic hydration.
}, issn = {2470-1343}, doi = {10.1021/acsomega.1c05064}, author = {Hande, Vrushali and Chakrabarty, Suman} } @conference {48195, title = {Skin mimicking solid optical tissue phantom fulfillment and its characterization}, booktitle = {Photonics in Dermatology and Plastic Surgery 2022}, year = {2022}, publisher = {SPIE}, organization = {SPIE}, address = {1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA}, abstract = {
Skin mimicking optical tissue phantoms are widely used in diagnostics systems for characterization, optimization, routine calibration and validation. In general, solid phantoms are more preferred in comparison to liquid phantoms. Therefore, our aim is to prepare and characterize the solid tissue phantoms having skin equivalent optical properties. In this work, we have used epoxy resin and hardener as a base material and titanium oxide (TiO2) nanoparticles and ink as a scatterer and absorber media, respectively. The total transmission (Tt), collimated transmission (Tc), and diffuse reflectance (Rd) spectra of the developed phantoms were measured with an integrating sphere installed in UV-VIS spectrometer within the wavelength range 400-700 nm. To characterize the optical properties such as absorption (mu(a)), reduced scattering (mu(s){\textquoteright}), and anisotropy factor (g) of the developed tissue phantoms, the numerical model based on Inverse Adding Doubling (IAD) has been used. With various concentrations of absorber and scatterer, a calibration curve was prepared. The calculated experimental optical properties from IAD matched with the predicted intrinsic optical properties of the skin. Thus, the preliminary results suggest that the recipe used in this study may be used as an alternative approach to developing skin mimicking solid optical phantom for diagnostics system applications.
}, keywords = {Absorption, anisotropy factor, scattering, skin mimicking, solid tissue phantom}, isbn = {978-1-5106-4740-4; 978-1-5106-4739-8}, doi = {10.1117/12.2609577}, author = {Kumar, Ajay and Hinge, Sarika and Dixit, Hemant and Kanawade, Rajesh and Kulkarni, Gauri}, editor = {Choi, B and Zeng, H} } @article {48351, title = {Small molecule quercetin binds MALAT1 triplex and modulates its cellular function}, journal = {Molecular Therapy-Nucleic Acids}, volume = {30}, year = {2022}, month = {DEC}, pages = {241-256}, type = {Article}, abstract = {
The triple-helix structure at the 30 end of metastasis-associated lung adenocarcinoma transcript 1 (MALAT1), a long non -cod-ing RNA, has been considered to be a target for modulating the oncogenic functions of MALAT1. This study examines the binding of quercetin-a known triplex binding molecule-to the MALAT1 triplex. By employing UV-visible spectroscopy, circular dichroism spectroscopy, and isothermal titration calo-rimetry, we observed that quercetin binds to the MALAT1 triplex with a stoichiometry of 1:1 and Kd of 495 +/- 61 nM, along with a negative change in free energy, indicating a spontaneous interaction. Employing real-time PCR measurements, we observed around 50\% downregulation of MALAT1 transcript levels in MCF7 cells, and fluorescence in situ hybridization (FISH) experiments showed concomitantly reduced levels of MALAT1 in nuclear speckles. This interaction is likely a result of a direct interaction between the molecule and the RNA, as indicated by a transcription-stop experiment. Further, tran-scriptome-wide analysis of alternative splicing changes induced by quercetin revealed modulation of MALAT1 downstream genes. Collectively, our study shows that quercetin strongly binds to the MALAT1 triplex and modulates its functions. It can thus be used as a scaffold for further development of ther-apeutics or as a chemical tool to understand MALAT1 func-tions.
}, issn = {2162-2531}, doi = {10.1016/j.omtn.2022.09.016}, author = {Rakheja, Isha and Ansari, Asgar Hussain and Ray, Arjun and Joshi, Dheeraj Chandra and Maiti, Souvi} } @article {48234, title = {SNP discovery and structural insights into OeFAD2 unravelling high oleic/linoleic ratio in olive oil}, journal = {Computational and Structural Biotechnology Journal}, volume = {20}, year = {2022}, month = {JUL}, pages = {1229-1243}, type = {Article}, abstract = {
Fatty Acid Desaturase 2 (FAD2), a key enzyme in the fatty acid biosynthesis pathway, is involved in the desaturation and conversion of oleic acid to linoleic acid. Therefore, it plays a crucial role in oleic/linoleic acid ratio and the quality of olive oil. DNA sequencing of 19 FAD2 genes from a set of olive oil varieties revealed several single-nucleotide polymorphisms (SNPs) and highlighted associations between some of the SNPs and saturated fatty acids contents. This was further confirmed by SNP-interaction and machine learning approach. Haplotype diversity analysis led to the discovery of three highly polymorphic SNPs and four haplotypes harboring differential oleic/linoleic acid ratios. Moreover, a combination of molecular modeling and docking experiments allowed a deeper and better understanding of the structure-function relationship of the FAD2 enzyme. Sequence patterns and variations involved in the regulation of the FAD2 activity were also identified. Furthermore, S82C and H213N substitutions in OeFAD2 make the Oueslati variety more interesting in terms of fatty acid profile and oleic acid level. (C) 2022 The Authors. Published by Elsevier B.V. on behalf of Research Network of Computational and Structural Biotechnology.
}, keywords = {docking, Fatty acid desaturase, Haplotype, machine learning, Oleic/linoleic acid ratio, Protein structure}, issn = {2001-0370}, doi = {10.1016/j.csbj.2022.02.028}, author = {Ben Ayed, Rayda and Moreau, Fabienne and Ben Hlima, Hajer and Rebai, Ahmed and Ercisli, Sezai and Kadoo, Narendra and Hanana, Mohsen and Assouguem, Amine and Ullah, Riaz and Ali, Essam A.} } @article {47996, title = {Solvent-assisted cavitation for enhanced removal of organic pollutants - degradation of 4-aminophenol}, journal = {Journal of Environmental Management}, volume = {311}, year = {2022}, month = {JUN }, pages = {114857}, type = {Article}, abstract = {
A new approach of solvent-assisted cavitation process was proposed for degradation of organic pollutants. The process envisages the use of suitable solvent as an additive, (1-5\% v/V), in the conventional cavitation process to enhance the pollutant removal efficiency. A proof of concept was provided for the removal of ammoniacal nitrogen with significantly improved efficiency using solvent-assisted hydrodynamic cavitation (HC) compared to conventional HC. The efficacy of the process was studied on a pilot plant scale (1 m(3)/h) and using vortex flow based vortex diode as a cavitating device. Degradation studies were carried out using a model pollutant, 4-amino phenol and four different solvents as additives, 1-octanol, cyclohexanol, 1-octane and toluene. Relatively polar solvents were found to increase the efficiency of the pollutant removal (\> 65\%) and also increase the rates to an extent of more than 200\%, compared to only HC. A very high removal of ammoniacal nitrogen, more than 90\%, was obtained for solvents 1-octanol and cyclohexanol, indicating the importance of the selection of solvent. Per pass degradation model showed 3 to 4 times increase in the per pass degradation for polar solvents compared to cavitation alone. The results confirm no role of conventional solvent extraction and no specific contamination of wastewater due to the use of solvent as an additive in the process. Further, the cost was 2-3 times lower as compared to the conventional HC. The interesting observations in the proposed process can fuel further research to provide possible improvements in existing methodologies of wastewater treatment, in general, and for removal of ammoniacal nitrogen, in particular.
}, keywords = {Ammoniacal nitrogen, Hydrodynamic cavitation, Oxidation, Pollution Control, Wastewater treatment}, issn = {0301-4797}, doi = {10.1016/j.jenvman.2022.114857}, author = {Patil, Pravin B. and Bhandari, Vinay M.} } @article {48001, title = {Solvent-driven mono- and bis-sulfenylation of (E)-beta-iodovinyl sulfones with thiols for flexible synthesis of 1,2-thiosulfonylalkenes and 1,2-dithioalkenes}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {MAR}, pages = {3934-3951}, type = {Article}, abstract = {
The nature of solvent is a key factor for stereoselective mono-and bis-thiolation of (E)-beta-iodovinyl sulfones with thiols under basic conditions. A novel and unprecedented vicinal bisthiolation of (E)-beta-iodovinyl sulfones with thiols under the influence of K2CO3/DMSO at room temperature for quick assembly of (E)-1,2-dithio-1-alkenes is presented. Solvent-induced stereoselective monosulfenylation of (E)-beta-iodovinyl sulfones with thiols has also been established for the synthesis of both (E)- and (Z)-1,2-thiosulfonylethenes in MeCN and MeOH, respectively. Moreover, K2CO3-mediated desulfonylative-sulfenylation of (Z)-1,2-thiosulfonylethenes with thiols in DMSO furnished unsymmetrical (Z)-1,2-dithio-1-alkenes for the first time. The solvent-dependent versatile reactivity of (E)-beta-iodovinyl sulfones has been successfully explored to provide a set of (E)-/(Z)-1,2-dithio-1-alkenes and (E)-/(Z)-1,2-thiosulfonyl-1-alkenes in good to high yields with excellent stereoselectivities. Notably, this operationally simple process utilizes a broad substrate scope with good functional group tolerance and compatibility. The efficacy of the process has been proven for gram-scale reactions, and plausible mechanistic models are outlined on the basis of experimental results and control experiments.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c02444}, author = {Reddy, Raju Jannapu and Kumari, Arram Haritha and Sharadha, Nunavath and Krishna, Gamidi Rama} } @article {48211, title = {Spinel magnesium ferrite (MgFe2O4): a glycine-assisted colloidal combustion and its potentiality in gas-sensing application}, journal = {Chemosensors}, volume = {10}, year = {2022}, month = {SEP}, pages = {361}, type = {Article}, abstract = {
Herein, we describe the facile synthesis of spinel MgFe2O4 ferrite and its potential use as a gas sensor using a straightforward and reliable sol-gel approach, i.e., the glycine-assisted auto-combustion route. The novelty in obtaining the sensing material via the auto-combustion route is its inherent simplicity and capability to produce the material at an industry scale. The said cost-effective process makes use of simple metal salts (Mg and Fe-nitrates) and glycine in an aqueous solution, which leads to the formation of spinel MgFe2O4 ferrite. A single-phase crystallinity with crystallite sizes ranging between 36 and 41 nm was observed for the synthesized materials using the X-ray diffraction (XRD) technique. The porous morphologies of the synthesized materials caused by auto-ignition during the combustion process were validated by the microscopic investigations. The EDS analysis confirmed the constituted elements such as Mg, Fe, and O, without any impurity peaks. The gas-sensing ability of the synthesized ferrites was examined to detect various reducing gases such as LPG, ethanol, acetone, and ammonia. The ferrite showed the highest response (\>80\%) toward LPG with the response and recovery times of 15 s and 23 s, respectively. Though the sensor responded low toward ammonia (similar to 30\%), its response and recovery times were very quick, i.e., 7 s and 9 s, respectively. The present investigation revealed that the synthesized ferrite materials are good candidates for fabricating high-performance sensors for reducing gases in real-world applications.
}, keywords = {Gas sensors, glycine combustion, MgFe2O4, reducing gases}, doi = {10.3390/chemosensors10090361}, author = {Nadargi, Digambar and Umar, Ahmad and Nadargi, Jyoti and Patil, Jayvant and Mulla, Imtiaz and Akbar, Sheikh and Suryavanshi, Sharad} } @article {48134, title = {Sponge microflowers of NiCo2O4: a versatile material for high performance supercapacitor}, journal = {Journal of Porous Materials}, volume = {29}, year = {2022}, month = {AUG}, pages = {1239-1252}, type = {Article}, abstract = {
We report the development of well optimised NiCo2O4 microflowers for high performance supercapacitor application. The efforts were made to optimise the electrode material by tuning the synthetic as well as electrolyte concentration parameters such as (i) hydrothermal reaction temperature, (ii) hydrothermal reaction time, (iii) sintering temperature, and (iv) electrolyte concentration. The physico-chemical and supercapacitive properties were analysed using TGA, XRD, SEM/TEM/HRTEM, XPS, BET, and electrochemical measurements. The well optimised electrode material was obtained at 150 degrees C hydrothermal reaction temperature, 12 h of hydrothermal reaction time, 300 degrees C sintering temperature, and 3 M KOH electrolyte concentration. The optimised sample displayed high specific -capacitance (1478 F/g), -energy density (16.5 Wh/kg), and -power density (248 W/kg). The specific capacitance can be retained to 97.61\% after 1000 cycles. The developed NiCo2O4 microflower structures are well optimised and offer great promise for future industrial applications.
}, keywords = {hydrothermal, Microflowers, Nickel cobaltite, supercapacitor}, issn = {1380-2224}, doi = {10.1007/s10934-022-01247-9}, author = {Ghadage, Ambar and Kodam, Pavan and Nadargi, Digambar and Shinde, K. P. and Mulla, Imtiaz and Park, J. S. and Suryavanshi, Sharad} } @article {48223, title = {Stacking herbicide detoxification and resistant genes improves glyphosate tolerance and reduces phytotoxicity in tobacco (Nicotiana tabacum L.) and rice (Oryza sativa L.)}, journal = {Plant Physiology and Biochemistry}, volume = {189}, year = {2022}, month = {OCT}, pages = {126-138}, type = {Article}, abstract = {
Glyphosate residues retained in the growing meristematic tissues or in grains of glyphosate-resistant crops affect the plants physiological functions and crop yield. Removing glyphosate residues in the plants is desirable with no penalty on crop yield and quality. We report a new combination of scientific strategy to detoxify glyphosate that reduces the residual levels and improve crop resistance. The glyphosate detoxifying enzymes Aldo-keto reductase (AKR1) and mutated glycine oxidase (mGO) with different modes of action were co-expressed with modified EPSPS, which is insensitive to glyphosate in tobacco (Nicotiana tabacum L.) and rice (Oryza sativa L.). The transgenic tobacco plants expressing individual PsAKR1, mGO, CP4-EPSPS, combinations of PsAKR1:CP4EPSPS, PsAKR1:mGO, and multigene with PsAKR1: mGO: CP4EPSPS genes were developed. The bio-efficacy studies of in-vitro leaf regeneration on different concentrations of glyphosate, seedling bioassay, and spray on transgenic tobacco plants demonstrate that glyphosate detoxification with enhanced resistance. Comparative analysis of the transgenic tobacco plants reveals that double and multigene expressing transgenics had reduced accumulation of shikimic acid, glyphosate, and its primary residue AMPA, and increased levels of sarcosine were observed in all PsAKR1 expressing transgenics. The multigene expressing rice transgenics showed improved glyphosate resis-tance with yield maintenance. In summary, results suggest that stacking genes with two different detoxification mechanisms and insensitive EPSPS is a potential approach for developing glyphosate-resistant plants with less residual content.
}, keywords = {Detoxification, Gene stacking, Glyphosate, Herbicide, Multigene, Residual toxicity, Resistant, rice, Tobacco, Transgenics}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2022.08.025}, author = {Vennapusa, Amaranatha Reddy and Agarwal, Subham and Hm, Hanumanth Rao and Aarthy, Thiagarayaselvam and Babitha, K. C. and Thulasiram, V. Hirekodathakallu and Kulkarni, Mahesh J. and Melmaiee, Kalpalatha and Sudhakar, Chinta and Udayakumar, M. and Vemanna, Ramu S.} } @article {48168, title = {Statistical optimization of media for enhancing intracellular lipid content in Yarrowia lipolytica NCIM 3589 grown on waste cooking oil for biodiesel production}, journal = {Journal of the American Oil Chemists Society}, volume = {99}, year = {2022}, month = {OCT}, pages = {55-56}, type = {Meeting Abstract}, issn = {0003-021X}, author = {Jagtap, Shubhangi Ramling and RaviKumar, Ameeta and Raut, Gouri and Kumar, V. Ravi} } @article {47757, title = {Steroidal alkaloids defence metabolism and plant growth are modulated by the joint action of gibberellin and jasmonate signalling}, journal = {New Phytologist}, volume = {233}, year = {2022}, month = {FEB}, pages = {1220-1237}, type = {Article}, abstract = {Steroidal glycoalkaloids (SGAs) are protective metabolites constitutively produced by Solanaceae species. Genes and enzymes generating the vast structural diversity of SGAs have been largely identified. Yet, mechanisms of hormone pathways coordinating defence (jasmonate; JA) and growth (gibberellin; GA) controlling SGAs metabolism remain unclear. We used tomato to decipher the hormonal regulation of SGAs metabolism during growth vs defence tradeoff. This was performed by genetic and biochemical characterisation of different JA and GA pathways components, coupled with in vitro experiments to elucidate the crosstalk between these hormone pathways mediating SGAs metabolism. We discovered that reduced active JA results in decreased SGA production, while low levels of GA or its receptor led to elevated SGA accumulation. We showed that MYC1 and MYC2 transcription factors mediate the JA/GA crosstalk by transcriptional activation of SGA biosynthesis and GA catabolism genes. Furthermore, MYC1 and MYC2 transcriptionally regulate the GA signalling suppressor DELLA that by itself interferes in JA-mediated SGA control by modulating MYC activity through protein-protein interaction. Chemical and fungal pathogen treatments reinforced the concept of JA/GA crosstalk during SGA metabolism. These findings revealed the mechanism of JA/GA interplay in SGA biosynthesis to balance the cost of chemical defence with growth.}, keywords = {alpha-tomatine, defence, gibberellin (GA), growth, jasmonate (JA), steroidal glycoalkaloids (SGAs), Tomato}, issn = {0028-646X}, doi = {10.1111/nph.17845}, author = {Panda, Sayantan and Jozwiak, Adam and Sonawane, Prashant D. and Szymanski, Jedrzej and Kazachkova, Yana and Vainer, Andrii and Kilambi, Himabindu Vasuki and Almekias-Siegl, Efrat and Dikaya, Varvara and Bocobza, Samuel and Shohat, Hagai and Meir, Sagit and Wizler, Guy and Giri, Ashok P. and Schuurink, Robert and Weiss, David and Yasuor, Hagai and Kamble, Avinash and Aharoni, Asaph} } @article {48098, title = {Strain-enhanced phase transformation of iron oxide for higher alcohol production from CO2}, journal = {ACS Catalysis}, volume = {12}, year = {2022}, month = {SEP}, pages = {11118-11128}, type = {Article}, abstract = {
Conversion of CO2 to higher alcohols (HAs) and higher hydrocarbons (HCs) has a greater advantage compared to C1 products because of their high energy density and wide range of applications in daily life. Despite the immense potential of these chemicals, not much of scientific research has been focused on the conversion of CO2 to HAs. In the present work, we have introduced the concept of strain in designing the material to enhance the CO(2 )to HA performance. We introduced strain in a traditional iron-based catalyst, Fe2O3, by the introduction of indium (In), which facilitates the selective conversion of CO2 to HA. An optimum strain favored a 36.7\% CO2 conversion with a 42\% HA selectivity, and a record yield of 15.42\%. The strain has been tuned further with the introduction of K as a promoter. The introduced strain upon In substitution and K promotion favored the conversion of CO2, which is mapped by powder X-ray diffraction, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy. Further, the change in the mechanism upon In incorporation and K promotion has been probed by in situ diffuse reflectance infrared fourier transform spectroscopy, and it is found that the OCHx intermediate, which produces HAs, is more prominent upon In substitution, which favored the enhancement of HA production compared to that of pristine Fe2O3.
}, keywords = {CO2 to HA, Fischer-Tropsch synthesis (FTS), Phase transformation, reverse water gas shift (RWGS) reaction, strain}, issn = {2155-5435}, doi = {10.1021/acscatal.2c0318311118}, author = {Goud, Devender and Churipard, Sathyapal R. and Bagchi, Debabrata and Singh, Ashutosh Kumar and Riyaz, Mohd and Vinod, C. P. and Peter, Sebastian C.} } @article {48368, title = {Structure-property insights into chiral thiophene copolymers by direct heteroarylation polymerization}, journal = {European Polymer Journal}, volume = {181}, year = {2022}, month = {DEC }, pages = {111676}, type = {Article}, abstract = {
Chiral thiophene copolymers with fluorene as co monomer are designed having N-Boc-L-glutamic acid-1-tert-butyl ester as a chiral substituent located either on the thiophene unit or the fluorene unit with varying spacer length. The atom-economic direct heteroarylation polymerization (DHAP) method is utilized for the polymerization. Gibb{\textquoteright}s free energy (delta G) for polymerization determined using DFT calculations indicate difficulty in achieving high molar mass when the bulky chiral substituents are attached through short spacer to the backbone. The experimental observations are in agreement with the theoretical calculations with no polymer-ization or very low molar mass sticky compounds obtained for reactions with predicted + \& UDelta;G values. Structure -property relationship are compared for two chiral polymers -P4 and P5 having the chiral substitution on thiophene and fluorene units respectively. No CD signal is observed in THF-a good solvent where the polymers are molecularly dissolved. Intense bisignated CD signal is observed for both polymers upon addition of methanol - a poor solvent, to their THF solution. The bisignate CD signal with maxima at lower wavelength and inflection point associated with the pi-pi* absorption band is characteristic of exciton coupling between polymer chains in a left handed helical orientation. Small differences are observed in the intensity of the CD signal for the polymers P4 and P5 highlighting the impact of steric hindrance of bulky pendant groups on polymer conformation. DHAP is an atom economic polymerization procedure that can be gainfully utilized for developing chiral conjugated polymers.
}, keywords = {chiral, DFT, Direct heteroarylation polymerization, Gibb?s free energy, Steric Hindrance}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2022.111676}, author = {Nikam, Shrikant B. and Singh, Chandrodai Pratap and Krishnamurty, Sailaja and Asha, S. K.} } @article {48088, title = {Structure-tailored surface oxide on Cu-Ga intermetallics enhances CO2 reduction selectivity to methanol at ultralow potential}, journal = {Advanced Materials}, volume = {34}, year = {2022}, month = {MAY}, pages = {2109426}, type = {Article}, abstract = {
Electrochemical CO2 reduction reaction (eCO(2)RR) is performed on two intermetallic compounds formed by copper and gallium metals (CuGa2 and Cu9Ga4). Among them, CuGa2 selectively converts CO2 to methanol with remarkable Faradaic efficiency of 77.26\% at an extremely low potential of -0.3 V vs RHE. The high performance of CuGa2 compared to Cu9Ga4 is driven by its unique 2D structure, which retains surface and subsurface oxide species (Ga2O3) even in the reduction atmosphere. The Ga2O3 species is mapped by X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure (XAFS) techniques and electrochemical measurements. The eCO(2)RR selectivity to methanol are decreased at higher potential due to the lattice expansion caused by the reduction of the Ga2O3, which is probed by in situ XAFS, quasi in situ powder X-ray diffraction, and ex situ XPS measurements. The mechanism of the formation of methanol is visualized by in situ infrared (IR) spectroscopy and the source of the carbon of methanol at the molecular level is confirmed from the isotope-labeling experiments in presence of (CO2)-C-13. Finally, to minimize the mass transport limitations and improve the overall eCO(2)RR performance, a poly(tetrafluoroethylene)-based gas diffusion electrode is used in the flow cell configuration.
}, keywords = {(2) reduction, CO, Electrochemistry, Methanol}, issn = {0935-9648}, doi = {10.1002/adma.202109426}, author = {Bagchi, Debabrata and Raj, Jithu and Singh, Ashutosh Kumar and Cherevotan, Arjun and Roy, Soumyabrata and Manoj, Kaja Sai and Vinod, C. P. and Peter, Sebastian C.} } @article {47642, title = {Studies directed toward the synthesis of hedycoropyrans: total synthesis of des-hydroxy (-)-hedycoropyran B (ent-rhoiptelol B)}, journal = {Organic \& Biomolecular Chemistry}, volume = {20}, year = {2022}, month = {JAN }, pages = {444-463}, type = {Article}, abstract = {A full account of our efforts directed towards the synthesis of the diarylheptanoid-derived natural products hedycoropyrans that led to the total synthesis of ent-rhoiptelol B is described. In this endeavor, we have attempted two distinct synthetic strategies to access hedycoropyrans A and B, which led us to establish a facile synthetic route for des-hydroxy (-)-hedycoropyran B (ent-rhoiptelol B) from simple and readily accessible building blocks of 4-allylanisole and vanillin, employing Sharpless asymmetric epoxidation, CBS reduction, and an intramolecular AgOTf-catalyzed oxa-Michael reaction of suitably functionalized hydroxy-ynone as key transformations. The investigations disclosed herein will provide insights into designing novel synthetic routes for THP-DAH-derived natural products.}, issn = {1477-0520}, doi = {10.1039/d1ob01972d}, author = {Kataria, Priyanka and Nomula, Rajesh and Kontham, Ravindar} } @article {48045, title = {Studies directed toward the total synthesis of nannocystin A}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {NOV}, pages = {e202203893}, type = {Article}, abstract = {
A full account of our efforts directed toward the stereoselective total synthesis of nannocystin A, a macrocyclic myxobacterial metabolite, is presented. In this endeavor, we have attempted two distinct synthetic routes to access polyketide fragment (C1-C11) of macrocyclic depsipeptide (21-membered) natural product from readily accessible building blocks 1,3-propanediol and benzaldehyde employing Evans aldol, CBS reduction, Heck cross-coupling, and Sharpless asymmetric epoxidation as key transformations. Ultimately, accomplished the synthesis of the complete skeleton (21-membered precursor for macrocyclic depsipeptide) of the nannocystin A possessing desired stereochemistry and functional groups.
}, keywords = {amidation, Depsipeptide, Evans aldol reaction, Macrocycle, Nannocystins}, issn = {2365-6549}, doi = {10.1002/slct.202203893}, author = {Nomula, Rajesh and Pratapure, Madhukar S. and Kontham, Ravindar} } @article {48060, title = {Studies in instant water disinfection using natural oils}, journal = {Biochemical Engineering Journal}, volume = {187}, year = {2022}, month = {NOV}, pages = {108631}, type = {Article}, abstract = {
The present research reveals an instant and simple process for drinking water treatment by employing specific natural oils having antimicrobial properties to ensure complete elimination of harmful bacteria. The disinfection was studied for two different model bacteria, Gram-negative E. coli and Gram-positive, S. aureus. Seven natural oils, ajwain, thyme, oregano, peppermint, harsingar, cinnamon leaf and black pepper oil were evaluated and were found to yield 100\% water disinfection within 1 min except for harsingar and black pepper oil. The process was also effective for the instant and 100\% disinfection of real well water. The methodology for altering zeta potential, to an extent of 130\%, for instant disinfection in drinking water treatment helps in selecting natural oils. Molecular docking studies indicated natural oils action as potential inhibitors of bacterial DNA gyrase. The studies indicate one of the lowest operating costs comparable to conventional chlorination. The simple meth-odology not requiring complex equipment has the potential to provide many options for implementations-from portability, household application to large scale water treatment plants.
}, keywords = {Bacteria removal, Natural oil, Technology, Water treatment, Zeta potential}, issn = {1369-703X}, doi = {10.1016/j.bej.2022.108631}, author = {Dixit, Divya and Bhandari, Vinay M. and Mane, Maya B. and Balapure, Kshama} } @article {48008, title = {Studies toward the total synthesis of (+)-neopeltolide using N-heterocyclic carbene-catalyzed oxo-acyloxylation/reductive oxa-Michael addition strategy}, journal = {Bulletin of the Korean Chemical Society}, volume = {43}, year = {2022}, month = {OCT}, pages = {1169-1172}, type = {Article}, abstract = {
This article describes a concise synthesis of two important fragments (tetrahydropyran [THP] and ketone moieties) of the cytotoxic macrolide (+)-neopeltolide in 10 long linear steps in enantiomerically pure form. Asymmetric Keck allylation to install the required C11 and C13 stereocenters, N-heterocyclic carbene (NHC)-catalyzed oxoacyloxylation to functionalize alkenes, and reductive oxa-Michael addition to construct 2,6-difunctionalized THP unit intramolecularly are the important steps in synthetic efforts. Finally, Keck asymmetric allylation and Lewis acid-catalyzed diastereoselective allylation of the aldehyde were sequentially employed to establish the stereocenters at C11 and C13 positions, respectively.
}, keywords = {(+)-neopeltolide, Keck allylation, Macrolide, NHC-catalyzed oxoacyloxylation, reductive oxa-Michael addition}, issn = {0253-2964}, doi = {10.1002/bkcs.12604}, author = {Reddi, Rambabu N. and Sudalai, Arumugam and Jo, Changbum} } @article {48092, title = {Study on anisotropy in wire arc additively manufactured Inconel 625 multi-layered wall and its correlation with molten pool thermal history}, journal = {Materials Science and Engineering A-Structural Materials Properties Microstructure and Processing}, volume = {840}, year = {2022}, month = {APR}, pages = {142865}, type = {Article}, abstract = {
In the present study, the variation in molten pool thermal history with layer number during wire arc additive manufacturing of Inconel 625 wall was investigated. Further, its effect on the evolution of microstructure and anisotropy in mechanical and corrosion properties was reported. During the deposition process, the molten pool thermal history was monitored using a non-contact type IR pyrometer operating at 1.6 mu m wavelength. A total number of 40 layers were deposited, building a wall of 60 mm height. With an increase in layer number, the molten pool lifetime and cooling rate were found to increase and decrease, respectively, resulting in coarse grains and increased elemental segregation or Laves phase formation. To investigate its effect on mechanical properties, the samples were collected in a skewed fashion along the height with orientation in the deposition direction. The tensile specimens collected close to the substrate exhibited better strength and ductility, while the samples from the top location of the wall exhibited a relatively brittle mode of fracture, which was investigated by carrying out the fracture surface analysis using SEM. Corrosion test was also conducted along the height of the wall, wherein the samples close to substrate exhibited better corrosion resistance due to refined microstructure and low elemental segregations. Further, EDS, XRD analysis and hardness test were carried out to investigate the elemental composition, variation in phases and hardness with layer number, respectively.
}, keywords = {anisotropy, Layer number, mechanical properties, Molten pool thermal history, Wire arc additive manufacturing}, issn = {0921-5093}, doi = {10.1016/j.msea.2022.142865}, author = {Nagallapati, Vishwanath and Choudhary, Amit and Torris, Arun and Muvvala, Gopinath and Dadasaheb, Sagar Pawar and Gudur, Srinath Ellaswamy} } @article {48055, title = {Subcritical water hydrolysis of N-acetyl-D-glucosamine: hydrolysis mechanism, reaction pathways and optimization for selective production of 5-HMF and levulinic acid}, journal = {Carbohydrate Research}, volume = {516}, year = {2022}, month = {JUN}, pages = {108560}, type = {Article}, abstract = {
In this study, the subcritical water hydrolysis of N-acetyl-D-glucosamine (NAG), a monomer of abundant renewable marine biopolymer chitin, for production of value-added chemicals is investigated. The enhanced ionization of water at subcritical conditions (200 degrees C; 50-100 bar), provides enough acidity for deacetylation of NAG resulting in 80\% yield of acetic acid along with traces of formic acid, lactic acid, glucose, fructose, 5hydroxymethylfurfural (5-HMF),etc. The significant humin formation indicates that the self-condensation and polymerisation of 5-HMF is favored in water at subcritical conditions. A catalyst p-toluenesulfonic acid (p-TsOH) was employed to selectively convert NAG to levulinic acid (LA) via ring opening of 5-HMF previously formed during hydrolysis. The maximum yield of 27.13 +/- 1\% and 53.46 +/- 1\% of 5-HMF and LA, respectively, was obtained at process conditions optimized using Box-Behnken design coupled with response surface methodology. Subcritical water enables greener conversion of NAG to platform chemicals wherein the selective production can be achieved by tuning the process conditions.
}, keywords = {5-Hydroxymethylfurfural, chitin, Glucosamine, levulinic acid, Response surface methodology, Subcritical water}, issn = {0008-6215}, doi = {10.1016/j.carres.2022.108560}, author = {Kulkarni, Sphurti Prakash and Dure, Shital N. and Joshi, Sunil S. and V. Pandare, Kiran and Mali, Nilesh A.} } @article {48149, title = {Substitution at sp(3) boron of a six-membered NHC center dot BH3: convenient access to a dihydroxyborenium cation}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAR }, pages = {3783-3786}, type = {Article}, abstract = {
Herein, we have undertaken the synthesis and investigated the reactivity of a 6-membered saturated NHC borane adduct (1). Direct electrophilic halogenation of 1 with a stoichiometric amount of I-2 led to NHC boryl iodides, 6-SIDipp center dot BH2I (2) and 6-SIDipp center dot BHI2 (3), which were further reacted with various nucleophiles to give novel 6-SIDipp based mono and disubstituted boranes with OTf (4 and 6) or ONO2 (5 and 7) functional groups. The addition of Br-2/H2O to 1 smoothly results in a dihydroxyborenium cation (8).
}, issn = {1359-7345}, doi = {10.1039/d1cc06816d}, author = {Kundu, Gargi and Ajithkumar, V. S. and Raj, K. Vipin and Vanka, Kumar and Tothadi, Srinu and Sen, Sakya S.} } @article {48043, title = {Substrate induced dynamical remodeling of the binding pocket generates GTPase specificity in DOCK family of guanine nucleotide exchange factors}, journal = {Biochemical and Biophysical Research Communications}, volume = {631}, year = {2022}, month = {NOV}, pages = {32-40}, type = {Article}, abstract = {
Dedicator of cytokinesis (DOCK) family of guanine nucleotide exchange factors (GEFs) activate two members of Rho family GTPases, Rac1/Cdc42, to exert diverse cellular processes, including cell migration. As DOCK GEFs have been critically implicated in tumour cell migration, understanding their function and specificity is imperative for designing anti-metastatic drugs. Based on their GTPase specificity they have been classified as Rac, Cdc42 and dual specific GEFs. Despite extensive structural studies, the factors that determine GTPase specificity of DOCK GEFs have remained elusive. Here, we show that subtle dynamical coupling between GEF and GTPase structures modulate the binding interface to generate mutual spec-ificity. To cluster the dynamically coupled residues in GEF-GTPase complexes a novel intra-residue backbone-torsion-angles based mutual information (TMI) technique was employed. TMI was calcu-lated from 4500 trajectories obtained from a total of 4.5ms molecular dynamics simulations performed on members of all the three clades of DOCK GEFs. The obtained clusters suggest a specificity generation mechanism that involves optimization of the binding pocket for the crucial divergent residue at the 56th position of Rac/Cdc42 (FCdc42/WRac1). These clusters encompass five residues from the structural segment lobe C -a10 helix of the DOCK proteins and functional SWI region of GTPase, which induce orchestrated structural modulations to generate the specificity. Even the conserved residues from SWI region are seen to augment the specificity defining dynamical rearrangements. Furthermore, the pro-posed dynamical GTPase-DOCK GEF specificity model was verified using mutagenesis studies on Rac1 and dual GTPase specific Dock2 and Dock6, respectively. Thus the current study provides the generic substrate specificity determinants of DOCK GEFs, which are not apparent from the conventional struc-tural analysis.(c) 2022 Elsevier Inc. All rights reserved.
}, keywords = {Dedicator of cytokinesis, GTPase specificity, Guanine exchange factors, Molecular dynamics simulations, Mutual information, Rho GTPases}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2022.09.059}, author = {Roy, Debopriya and Sengupta, Durba and Kulkarni, Kiran} } @article {48430, title = {Suitability of different supported Ru, Pt and Ni catalysts for the hydrogenolysis of sorbitol}, journal = {Results in Engineering}, volume = {15}, year = {2022}, month = {SEP}, pages = {100594}, type = {Article}, abstract = {
\

In this article, the results of sorbitol\ hydrogenolysis\ (15\% aq. solution), done in an autoclave reactor, over Ru, Pt and Ni loaded on SBA15, carbon coated SBA15 (SBA15C), activated carbon (AcC), Na{\textendash}Y, Fly Ash (FA) and hydroxyapatite (HAP) catalysts by our group, were compared to find the best metal-support combinations. The metal loading was 1\ wt\% for Ru and Pt, 6\ wt\% for Ni and the catalysts{\textquoteright} preparations were carried out by impregnation of respective salts. The catalysts were characterized with nitrogen and hydrogen adsorption measurements and X-ray diffraction. Addition of a base (Calcium hydroxide) to the reactants{\textquoteright} mixture increased the overall conversion and selectivities of the glycols, ethylene glycol (EG) and 1,2-propylene glycol (PG). The catalysts{\textquoteright} performance at 60\ bar and 220\ {\textdegree}C with the presence of base (B), evaluated by the yield of glycols (PG\ +\ EG), showed the following order:

Ni/Na{\textendash}Y\ \>\ Ru/AcC\ \~{}\ Ru/SBA15C\ \>\ Ni/HAP\ \~{}\ Ru/SBA15\ \>\ Ni/SBA15\ \>\ Ru/Na{\textendash}Y\ \>\ Ni/FA\ \~{}\ Ni/AcC and the yields were 57, 40, 39, 33, 31, 29, 26, 22 and 21\ wt\%, respectively.

Na{\textendash}Y appeared to be the best support, especially for Ni metal; AcC and SBA15C were good supports for Ru and Pt respectively.\ Reusability\ studies revealed that Ni on HAP was the best catalyst and exhibited only a small deactivation during four runs of loading it.

\

\
}, doi = {10.1016/j.rineng.2022.100594}, author = {Kandasamy, Thirunavukkarasu and Banu, Marimuthu and Shanthi, R. Vijaya and Sivasanker, S.} } @article {48380, title = {Sulfur functionalization via epoxide ring opening on a reduced graphene oxide surface to form metal (II) Organo-bis-[1,2]-oxathiin}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {JAN}, pages = {279-286}, type = {Article}, abstract = {
The epoxide ring-opening reaction in graphene oxide (GO) by nucleophiles is a very fascinating and advanced methodology to develop novel functional material. Herewith, we report an advanced strategy for opening the epoxide ring on the rGO surface via easily an available nucleophile (Na2S), which is further functionalized with O atom to obtain four-membered rings (FMRs). The Cd coordination with the S atom puts extra stress on the FMR leading to the C-C bond cleavage of the four-membered heteroatomic rings on the rGO surface. This strategic approach leads to the fabrication of an innovative metal organo-bis-[1,2]-oxathiin (MOBOT) chemical moiety (M = Cd, Zn). The MOBOT compound further shows enhanced H-2 generation activity and hence is promising as a potential photocatalyst for solar hydrogen generation. This compound might also be a potential candidate for optoelectronic applications.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.1c02819}, author = {Kumar, Praveen and Bajpai, Himanshu and Gopinath, Chinnakonda S. and Luwang, Meitram Niraj} } @article {48131, title = {SUMOylation of dorsal attenuates Toll/NF-kappa B signaling}, journal = {Genetics}, volume = {221}, year = {2022}, month = {JUL }, type = {Article}, abstract = {
In Drosophila, Toll/NF-kappa B signaling plays key roles in both animal development and in host defense. The activation, intensity, and kinetics of Toll signaling are regulated by posttranslational modifications such as phosphorylation, SUMOylation, or ubiquitination that target multiple proteins in the Toll/NF-kappa B cascade. Here, we have generated a CRISPR-Cas9 edited Dorsal (DL) variant that is SUMO conjugation resistant. Intriguingly, embryos laid by dl(SCR) mothers overcome dl haploinsufficiency and complete the developmental program. This ability appears to be a result of higher transcriptional activation by DLSCR. In contrast, SUMOylation dampens DL transcriptional activation, ultimately conferring robustness to the dorso-ventral program. In the larval immune response, dl(SCR) animals show an increase in crystal cell numbers, stronger activation of humoral defense genes, and high cactus levels. A mathematical model that evaluates the contribution of the small fraction of SUMOylated DL (1-5\%) suggests that it acts to block transcriptional activation, which is driven primarily by DL that is not SUMO conjugated. Our findings define SUMO conjugation as an important regulator of the Toll signaling cascade, in both development and host defense. Our results broadly suggest that SUMO attenuates DL at the level of transcriptional activation. Furthermore, we hypothesize that SUMO conjugation of DL may be part of a Ubc9-dependent mechanism that restrains Toll/NF-kappa B signaling.
}, keywords = {Drosophila, haploinsufficiency, innate immunity, SUMO, transcription}, issn = {0016-6731}, doi = {10.1093/genetics/iyac081}, author = {Hegde, Sushmitha and Sreejan, Ashley and Gadgil, Chetan J. and Ratnaparkhi, Girish S.} } @article {48106, title = {Superior processability of Antheraea mylitta silk with cryo-milling: performance in bone tissue regeneration}, journal = {International Journal of Biological Macromolecules}, volume = {213}, year = {2022}, month = {JUL}, pages = {155-165}, type = {Article}, abstract = {
Non-mulberry silk polymers have a promising future in biomedical applications. However, the dissolution of nonmulberry silk fiber is a still challenge and this poor processability has limited the use of this material. Here, we report a unique protocol to process the Antheraea mylitta (AM) silk fiber. We have shown that the cryo-milling of silk fiber reduces the beta sheet content by more than 10\% and results in an SF powder that completely dissolves in routine solvents like trifluoroacetic acid (TFA) within few hours to form highly concentrated solutions (\~20 wt \%). Further, these solutions can be processed using conventional processing techniques such as electrospinning to form 3D scaffolds. Bombyx mori (BM) silk was used as a control sample in the study. In-vitro studies were also performed to monitor cell adhesion and proliferation and hMSCs differentiation into osteogenic lineage. Finally, the osteogenic potential of the scaffolds was also evaluated by a 4-week implantation study in rat calvarial model. The in-vitro and in-vivo results show that the processing techniques do not affect the biocompatibility of the material and the AM scaffolds support bone regeneration. Our results, thus, show that cryo-milling facilitates enhanced processability of non-mulberry silk and therefore expands its potential in biomedical applications.
}, keywords = {Bone tissue engineering, Calvarial defect, hMSCs, Non-mulberry silk fiber, Processing technique}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2022.05.122}, author = {Parekh, Nimisha and Bijosh, C. K. and Kane, Kartiki and Panicker, Alaka and Nisal, Anuya and Wangikar, Pralhad and Agawane, Sachin} } @article {47824, title = {Surface alteration driven bi-functional catalytic activity of alkali niobate-N doped graphene composite for exalted oxygen electrochemistry}, journal = {Applied Surface Science}, volume = {580}, year = {2022}, month = {APR}, pages = {152160}, type = {Article}, abstract = {In this work, we establish that surface reconstruction, oxygen vacancies {\textemdash}specifically those located on the catalyst surface, and high crystallinity can be effective in tuning the catalytic activity of perovskite oxides. We report a high-performance electrocatalyst with an orthorhombic perovskite structure (NaNbO3), having an anisotropic surface layer and high crystallinity that exhibits superior activity and durability for the bi-functional oxygen electrochemistry compared to that of a similar perovskite composition with an isotropic surface layer and low crystallinity. The improvement in the electrocatalytic activity for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) is mainly attributed to the formation of an easy diffusion path on the surface layer due to the ionic movements, enhanced intrinsic activity of the catalytic sites resulting from the higher crystallinity, high oxygen vacancies and a large electrochemically active surface area. The sole key parameter in achieving all the acquired characteristics is the annealing temperature. We believe that the straightforward method of bringing the desired combination of properties by just tweaking the annealing temperature is handy and energy-efficient, and hence easily adoptable.}, keywords = {Bi-functionality, N-doped graphene, Oxygen Evolution Reaction, oxygen reduction reaction, perovskite, Surface reconstruction}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.152160}, author = {Suman Kumari Jhajharia and Shashaank Gupta and Zinoy Manappadan and Kaliaperumal Selvaraj and Myoor K. Padmanabhan and Roop L. Mahajan} } @article {48000, title = {Sustainable CO2 reduction on in (2)O(3 )with exclusive CO selectivity: catalysis and in situ valence band photoelectron spectral investigations}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {10}, year = {2022}, month = {MAR}, pages = {3521-3531}, type = {Article}, abstract = {
This study demonstrates a sustainable catalytic CO2 conversion to near 100\% CO selectivity at ambient pressure on In2O3. Critically, high CO yield could be observed at the cost of undesired methanation, using a lower than stoichiometric amount of hydrogen in the feed; 1:1 and 1:0.67 CO2:H-2 ratios exhibit 98-99.6\% CO selectivity with 25-38\% CO2 conversion between 773 and 873 K. CO2 and H-2 conversion under steady-state conditions at 773-873 K suggests a 1:1 ratio of adsorbed reactants (with 1:0.67 CO2:H-2 feed) on the catalyst surface, underscoring the presence of an ideal reactant composition for the reverse water-gas shift reaction, while H-2-rich feed compositions show the H-2-dominated surface. Surface electronic structure changes, under near-operating conditions, were explored with near ambient pressure photoelectron spectroscopy (NAPPES), and the interesting findings are as follows: (a) A shift in the valence band to lower binding energy, up to 0.6 eV, was observed because of electron filling at high temperatures. (b) An observation of heterogeneous nature of the catalyst surface under NAPPES measurement conditions is attributed to the generation of active oxygen vacancy (O-v) sites, which in turn changes the work function of In2O3. (c) The above changes are found to be reversible, when the reaction was stopped. Vibrational features of the reactant molecules were observed to be broadened in the active temperature window of the catalyst supporting the heterogeneous character of the catalyst surface because of dynamic O-v generation. By optimizing gas hourly space velocity, CO2:H-2 ratio, and reaction temperature, exclusive CO selectivity is possible with a H-2:CO2 ratio of similar to 0.67, which will avoid the product separation stage altogether, while minimizing the expensive H-2 in the reactant feed.
}, keywords = {heterogeneous catalysis, Oxygen vacancy, photoelectron spectroscopy, RWGS, Work function}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c07897}, author = {Mhamane, Nitin B. and Chetry, Sibo and Ranjan, Ravi and Raja, Thirumalaiswamy and Gopinath, Chinnakonda S.} } @article {48208, title = {Sustainable composite of SnFe2O4 conversion alloying anode for lithium-ion storage}, journal = {Sustainable Energy \& Fuels}, volume = {6}, year = {2022}, month = {AUG }, pages = {3806-3817}, type = {Article}, abstract = {
The development of high-performance, low-cost electrodes using sustainable materials for Li-ion batteries is of vital importance in view of their increasing demand for use in electronics and electric vehicles, as we transition from non-renewable energy resources. Challenges associated with commercial graphite anode materials include relatively low capacity, the use of high-temperature synthesis, Li dendrite formation, and limited rate capability. In this study, we present a tin ferrite SnFe2O4 (SFO) conversion alloying material (CAM), and its synergistic composite with a scalable and low-cost waste-derived carbon (WDC), which was prepared by low-temperature pyrolysis of a waste material sustainably. The combination of SFO with the WDC in the composite boosts the conductivity, diffusion kinetics, stability, and reversibility, and accommodates volume expansion upon cycling. The first charge capacity obtained for WDC, SFO, and SFO-WDC is 595, 1269, and 1331 mA h g(-1), respectively at 100 mA g(-1) in a Li-ion half-cell. In a full cell fabricated with LFP, a stable capacity of 80 mA h g(-1) at 100 mA g(-1) could be obtained, and the corresponding energy density for the SFO-WDCIILFP full cell is 300 W h kg(-1). Kinetic studies revealed that capacitance-controlled charge storage is dominant so the capacity was higher in the composite. This composite system addresses both the low capacity issue of the carbon anode and stability issues of CAMs while being compatible for use with current Li-ion battery technology.
}, issn = {2398-4902}, doi = {10.1039/d2se00919f}, author = {Yadav, Poonam and Parte, Golu and Malik, Wahid and Sabri, Ylias M. and Jones, Lathe A. and Shelke, V. Manjusha} } @article {48158, title = {Sustainable fabrication of copper nanoparticles: a potent and affordable candidate for water treatment, water disinfection, antioxidant activity and theranostic agent}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {APR}, pages = {e202103552}, type = {Article}, abstract = {
This study reports a simple, green, and large-scale biosynthetic fabrication of spherical copper nanoparticles (Cu NPs), approximate 28 nm, using the aqueous extracts of Diaplazium esulentum (Retz.) Sw. fern. Characterization was carried out for morphology, size, elemental analysis, crystallinity and for identification of functionalities responsible for reduction and stabilization. Extraordinary remediation efficiency was obtained for the developed Cu NPs for the elimination of two industrially important pollutants; Methyl Violet 6B and Methylene Blue (greater than 92 \% within 150 mins). A mechanism was postulated for the process using the data on the identification of NPs and also spent NPs apart from degraded products. Furthermore, the Cu NPs revealed excellent antibacterial activity against gram positive bacteria: Staphylococcus aureus, Streptococcus pneumonia and Bacillus subtilis, as well as gram negative bacteria: Pseudomonas aeruginosa, Escherichia coli and potential action against fungal strains; Aspergillus niger and Candida albicans. Additionally, the assay depicted that Cu NPs has fairly decent radical scavenging activity with IC50 value 2.11 mM. Moreover, the Cu NPs were found to exhibit profound anticancerous activity against two human cancer line cells. The present research work has implications for exploitation of DE fern extract for the development of Cu NPs and their numerous applications ranging from pollutants removal to antibacterial, antifungal, antioxidant and anticancerous agents.
}, keywords = {Anticancer, antifungal, Antimicrobial, Antioxidant, Photodegradation and Phytosynthesis}, issn = {2365-6549}, doi = {10.1002/slct.202103552}, author = {Sinha, Tanur and Adhikari, Partha Pradip and Bhandari, Vinay M.} } @article {48013, title = {Synergetic storage of ammonia over Al quantum dots embedded graphene sheets: a first principles perspective}, journal = {International Journal of Hydrogen Energy}, volume = {47}, year = {2022}, month = {OCT }, pages = {36873-36885}, type = {Article}, abstract = {
In view of the increasing energy demand and global warming, it is imperative to search for a renewable and environmental friendly fuel in lieu of non-renewable energy resources. Hydrogen stands out to be the best fuel as both, renewable and clean. Concerning the use of hydrogen as a fuel, its production as well as storage are current global challenges being worked on. In this article, a density functional theory based study is performed to identify the potential of supported Al cluster cages for ammonia storage. In this context, initially, stability of pristine and doped aluminum nanoclusters anchored on graphene sheet is evaluated following which thus supported stable nanoclusters are studied for the adsorption of NH3 to identify their storage capacity. For both, complexes and NH3 adsorbed complexes, Density of States (DOS), Charge Density Difference (CDD) and Bader charge analysis is done to understand their electronic properties.(c) 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Aluminum nanoclusters, Defective graphene, Endohedral doping, NH 3 adsorption}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2022.08.268}, author = {Singh, Chandrodai Pratap and Krishnamurty, Sailaja} } @article {48347, title = {Synergistic and competitive lipid interactions in the serotonin1A receptor microenvironment}, journal = {ACS Chemical Neuroscience}, volume = {13}, year = {2022}, month = {DEC }, pages = {3403-3415}, type = {Article}, abstract = {
The interaction of lipids with G-protein-coupled receptors (GPCRs) has been shown to modulate and dictate several aspects of GPCR organization and function. Diverse lipid interaction sites have been identified from structural biology, bioinformatics, and molecular dynamics studies. For example, multiple cholesterol interaction sites have been identified in the serotonin1A receptor, along with distinct and overlapping sphingolipid interaction sites. How these lipids interact with each other and what is the resultant effect on the receptor is still not clear. In this work, we have analyzed lipid-lipid crosstalk at the receptor of the serotonin1A receptor embedded in a membrane bilayer that mimics the neuronal membrane composition by long coarse-grain simulations. Using a set of similarity coefficients, we classified lipids that bind at the receptor together as synergistic cobinding, and those that bind individually as competitive. Our results show that certain lipids interact with the serotonin1A receptor in synergy with each other. Not surprisingly, the ganglioside GM1 and cholesterol show a synergistic cobinding, along with the relatively uncommon GM1-phosphatidylethanolamine (PE) and cholesterol-PE synergy. In contrast, certain lipid pairs such as cholesterol and sphingomyelin appear to be in competition at several sites, despite their coexistence in lipid nanodomains. In addition, we observed intralipid competition between two lipid tails, with the receptor exhibiting increased interactions with the unsaturated lipid tails. We believe our work represents an important step in understanding the diversity of GPCR-lipid interactions and exploring synergistic cobinding and competition in natural membranes.
}, keywords = {GPCR, lipid crosstalk, Martini coarse-grain simulations, Membrane cholesterol, neuronal membranes}, issn = {1948-7193}, doi = {10.1021/acschemneuro.2c00422}, author = {Mohole, Madhura and Sengupta, Durba and Chattopadhyay, Amitabha} } @article {48183, title = {Synergistic electronic effects in AuCo nanoparticles stabilized in a triazine-based covalent organic framework: a catalyst for methyl orange and methylene blue reduction}, journal = {ACS Applied Nano Materials}, volume = {5}, year = {2022}, month = {APR }, pages = {4744-4753}, type = {Article}, abstract = {
Developing stable active catalysts for reducing water-soluble pollutants is a desirable target. In this pursuit, we have functionalized covalent organic frameworks (COFs) with gold (Au) and cobalt (Co) nanoparticles via a one-step aqueous synthesis process, and their catalytic activity in reducing methyl orange and methylene blue is examined. Operando absorbance measurements of methyl orange (anionic dye) reduction revealed AuCoCOF (1.3 Au/1.0 Co) to have superior kinetics over many other catalysts, which typically require additional external stimuli (e.g., photons) and higher catalyst loadings. After confirming the homogeneous dispersion of the nanoparticles on the COF support using three-dimensional (3D) tomography and material stability through powder X-ray diffraction (PXRD), infrared (IR), and thermal studies, we investigated their redox activity. Cyclic voltammetry (CV) confirmed the involvement of both metals in the redox process, while spectroelectrochemical measurements show that their activity and kinetics remain unaltered by an applied potential. Solid-state UV measurements reveal that the neat COF is a semiconductor with a large band gap (2.8 eV), which is substantially lowered when loaded with cobalt nanoparticles (2.2 eV for CoCOF). The electronic synergy between Au and Co nanoparticles further reduces the band gap of AuCoCOF (1.9 eV). Thus, there is a definite advantage in doping non-noble metal nanoparticles into a noble metal lattice and nanoconfining them into a porous COF support. Our study highlights the significance of bimetallic COF-supported nanocatalysts, wherein one can engage each component toward targeted applications that demand redox activity with favorable kinetics.
}, keywords = {AuCoCOF, band gaps, Covalent organic framework, methyl orange reduction, Nanoparticles, UV-vis spectroscopy}, doi = {10.1021/acsanm.1c04212}, author = {Devulapalli, Venkata Swaroopa Datta and Kushwaha, Rinku and Ovalle, Edwin and Singh, Himan Dev and Shekhar, Pragalbh and Chakraborty, Debanjan and Vinod, Chathakudath Prabhakaran and Vaidhyanathan, Ramanathan and Borguet, Eric} } @article {48165, title = {Synthesis and antimycobacterial screening of a novel series of alpha-amino acids containing thiazole linker}, journal = {ARKIVOC}, year = {2022}, type = {Article}, abstract = {
A small focused library of uncommon (S)-2-amino-3-(4-(((4-methyl-2-arylthiazol-5-yl)methyl)amino)phenyl) propanoic acid (5a-e) and (S)-2-amino-3-(4-(((2-arylthiazol-4-yl)methyl)amino)phenyl)propanoic acid (9a-d) derivatives have been efficiently synthesized by employing molecular simplification. The title compounds were screened for inhibitory activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis (BCG) strains. The cytotoxicity study was conducted against primary Human Umbilical Vein Endothelial Cells (HUVECs), on two different human tumor cells HeLa, and HCT 116 and was observed non-toxic to host cells.
}, keywords = {Amino acid, antibacterial activity, Cytotoxicity, Mycobacterium tuberculosis, synthesis, Thiazole}, issn = {1551-7004}, doi = {10.24820/ark.5550190.p011.831}, author = {Nalawade, Jitendra L. and Mhaske, Pravin C. and Shinde, Abhijit D. and Chavan, Abhijit P. and Abhale, Yogita K. and Sarkar, Dhiman and Bobade, Vivek D.} } @article {48204, title = {Synthesis and characterization of partially biobased aromatic (Co)polycarbonates containing biphenylene units and pendant pentadecyl chains}, journal = {Macromolecular Chemistry and Physics}, volume = {223}, year = {2022}, month = {JUL}, pages = {2100449}, type = {Article}, abstract = {
2-Pentadecyl-[1,1{\textquoteright}{\textquoteright}-biphenyl]-4,4{\textquoteright}{\textquoteright}-diol (PBD) is synthesized starting from cashew nut shell liquid-a by-product of cashew processing industry. A new series of partially biobased aromatic (co)polycarbonates possessing biphenylene units and pendant pentadecyl chains is synthesized by solution polycondensation of PBD or varying compositions of PBD and bisphenol-A with triphosgene in dry dichloromethane. Inherent viscosities and number average molecular weights of (co)polycarbonates are in the range 0.51-1.24 dL g(-1) and 18 x 10(3)- 43.4 x 10(3) g mol(-1), respectively indicating the formation of reasonably high molecular weight polymers. Flexible, transparent, and free-standing films of (co)polycarbonates can be cast from chloroform solution. (Co)polycarbonates are characterized using Fourier transform infrared spectroscopy (FTIR), H-1 NMR, C-13 NMR spectroscopy, X-ray diffraction (XRD), differential scanning calorimetry, and thermogravimetric analysis. T-10 and T-g values of (co)polycarbonates are in the range 417-433 and 8-147 degrees C, respectively. It is demonstrated that the T-g values can be tuned by incorporation of appropriate mol\% of PBD as a comonomer in Bisphenol-A-based copolycarbonates. The lowering of the T-g values of (co)polycarbonates can be attributed primarily to the packing disruptive effect of flexible pentadecyl chains. Furthermore, the effect of incorporation of PBD as a comonomer on water contact angle values of (co)polycarbonates is evaluated.
}, keywords = {aromatic polycarbonates, biobased bisphenol, Cashew nut shell liquid, pentadecyl chain, Renewable resources}, issn = {1022-1352}, doi = {10.1002/macp.202100449}, author = {Ichake, Amol B. and Nagane, Samadhan S. and Jadhav, Uday A. and Torris, Arun and Grau, Etienne and Cramail, Henri and Wadgaonkar, Prakash P.} } @article {48217, title = {Synthesis and crystal structures of Mn(II) and Co(II) complexes as catalysts for oxidation of cyclohexanone}, journal = {Inorganics}, volume = {10}, year = {2022}, month = {JUL}, pages = {100}, type = {Article}, abstract = {
The global demand on adipic usage in the production of plasticizers and synthetic polyamide is increasing. In line with the search for an efficient and energy-conserving way to isolate adipic acid (AA) in good yields, this paper introduces the oxidization of cyclohexanone utilizing two new coordination compounds, [Mn(2,6-pydc)(2)](imi) (1) and [Co(H(2)pza)(2)(H2O)(2)(NO3)].NO3 (2), as catalysts. Compounds 1 and 2 were synthesized by room temperature and refluxing methods, and characterized by spectral analyses (IR and UV-Vis.), SEM, BET, TGA, elemental, and X-ray crystallography. The single crystal structure of compound 1 revealed that pyridinedicarboxylate (2,6-pydc) and imidazole (imi) moieties were coordinated to the Mn(II) atom through imine nitrogen and deprotonated oxygen atoms, to form an undistorted octahedral coordination geometry with the N2O4 donor set. The axial and equatorial planes containing O2, O4, O5, and O7 atoms were from two adjacent 2,6-pydc ligands which formed the unidendate donor ligand; imi, on the other hand, acted as a bidendate donor ligand. For compound 2, the Co(II) atom was being coordinated by two pyrazinamide (H(2)pza) moieties, which acted as an unidendate donor ligand; two water molecules occupying the axial position, and one nitrate molecule occupying the apical position, were within the coordination sphere; a nitrate molecule was disordered outside the coordination sphere. The distance, 4.658 angstrom, between the Co1 atom and the N8 atom of the uncoordinated nitrate molecule, was within the range reported elsewhere. Cyclohexanone peroxidation experiments revealed that compound 1 exhibited unique catalytic performance by giving a 72.8\% yield in adipic acid, in comparison to the 71.3\% yield obtained with compound 2. The yields in AA were maintained by way of recyclability evaluation. The reaction kinetics of compound 2 gave less activation energy, E-a 2938 J mol(-1), while the thermodynamic parameters indicated that the chemical reactivity of cyclohexanone on the active surfaces of compounds 1 and 2 was via monolayer physisorption.
}, keywords = {cobalt, Complexes, cyclohexanone, Imidazole, managanese, Oxidation, pyrazinamide, pyridinedicarboxylate}, doi = {10.3390/inorganics10070100}, author = {Tella, Adedibu C. and Isaac, Aaron Y. and Clayton, Hadley S. and Ogunlaja, Adeniyi S. and Venugopalan, Aswathy T. and Prabu, Marimuthu and Thirumalaiswamy, Raja} } @article {48431, title = {Synthesis and ionic conductivity of calcium-doped ceria relevant to solid oxide fuel cell applications}, journal = {Materials Advances}, volume = {3}, year = {2022}, month = {OCT}, pages = {8780-8791}, type = {Article}, abstract = {
Towards the development of green energy devices, it is necessary to focus on commercial electrolyte materials for intermediate temperature solid oxide fuel cells (IT-SOFCs). Ca-doped ceria (CDC) samples having a composition of Ce(1-x)CaxO2-δ\ (0.03 <=\ x\ <= 0.1) were synthesized by a facile solid-state route and sintered at a lower temperature (1473 K). X-ray diffraction, Raman, X-ray photoelectron, Fourier-transform infrared, UV{\textendash}VIS diffuse reflectance, field emission scanning electron microscopy {\textendash} energy dispersive X-ray with elemental mapping, and electrochemical impedance spectroscopy techniques were used for the characterization of these CDC samples. The 0.10 CDC showed high oxide ion conductivity of 8.01 {\texttimes} 10-3\ S cm-1\ at 973 K with a lower activation energy of 0.78 eV. The 0.03 CDC, 0.05 CDC, and 0.07 CDC samples exhibited ionic conductivities of 1.66 {\texttimes} 10-4, 4.42 {\texttimes} 10-3, and 5.76 {\texttimes} 10-3\ S cm-1\ at 973 K with activation energies of 1.65, 1.01, and 0.92 eV, respectively. The present work aims to develop Ca-doped ceria as economically viable electrolytes for IT-SOFCs.
}, doi = {10.1039/D2MA00868H}, author = {Momin, Naeemakhtar and Manjanna, J. and Kobayashi, Satoru and Aruna, S. T. and Kumar, S. Senthil and Nayaka, G. P.} } @article {48136, title = {Synthesis, characterization and single crystal x-ray structures of trifluroacetylacetonate copper(ii) complexes}, journal = {Journal of Chemical Crystallography}, volume = {52}, year = {2022}, month = {DEC}, pages = {525-533}, type = {Article}, abstract = {
{Three Cu(II) complexes of 1,1,1-trifluoroacetylacetonate, viz. [Cu(TFACAC)(2)(MeOH)] (1), [Cu(TFACAC)(2)(py)] (2) and [Cu(TFACAC)(2)(DABCO)] (3) were synthesized and characterized by elemental analysis, IR, UV-Visible spectroscopy and cyclic voltammetry. Structures of complexes 1-3 were established by single crystal X-ray diffraction wherein 1 and 2 adapt square pyramidal geometry. Complex 1 crystallizes in triclinic space group P-(1), with a = 8.5059(6) angstrom
}, keywords = {Copper(II) complexes, crystal structure, cyclic voltammetry, DABCO, Pyridine, Trifluoroacetylacetone}, issn = {1074-1542}, doi = {10.1007/s10870-022-00937-1}, author = {Kumari, Neha and Bahadur, Vir and Butcher, Raymond J. and Kumbhar, Anupa A.} } @article {48138, title = {Synthesis, characterization and UV-crosslinking of aromatic (Co)polycarbonates bearing pendant azido groups}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {SEP}, pages = {e202201020}, type = {Article}, abstract = {
A new series of (co)polycarbonates bearing pendent azido groups was synthesized by polycondensation of varying molar proportions of 4, 4{\textquoteright}-(5-azidopentane-2, 2-diyl) diphenol and bisphenol-A with triphosgene. The chemical structures, compositions and random nature of (co)polycarbonates were confirmed by NMR spectroscopy. Inherent viscosities and number-average molecular weights of (co)polycarbonates were in the range 0.63-0.77 dL g(-1) and 35,400-43,400 g mol(-1), respectively indicating the formation of reasonably high molecular weight polymers. (Co)polycarbonates could be cast into tough, transparent and flexible films from chloroform solutions. (Co)polycarbonates were further characterized using IR spectroscopy, XRD, TGA and DSC. The thermal crosslinking of (co)polycarbonates bearing pendant azido groups was studied by DSC analysis. Independently, (co)polycarbonates bearing pendant azido groups were exposed to UV irradiation at wavelength of 254 nm and decomposition reaction of azido groups was monitored by FT-IR spectroscopy. The complete decomposition of azido groups was observed with exposure time of 30 min. The formed cross-linked (co)polycarbonates exhibited improved \% char yield values compared to parent (co)polycarbonates. The measurement of mechanical properties of representative crosslinked (co)polycarbonates indicated increase in tensile strength and Young{\textquoteright}s modulus and decrease in \% elongation compared to corresponding parent linear (co)polycarbonates.
}, keywords = {Aromatic polycarbonate, Pendant azido group, solution polycondensation, Triphosgene, UV-crosslinking}, issn = {2365-6549}, doi = {10.1002/slct.202201020}, author = {Nagane, Samadhan S. and Kuhire, Sachin S. and Ichake, Amol B. and Talanikar, Aniket A. and Lochab, Bimlesh and Wadgaonkar, Prakash P.} } @article {48434, title = {Synthesis, crystal structure and Hirshfeld surface analysis of a zinc(II) coordination polymer of 5-phenyl-1,3,4-oxa-diazole-2-thiol-ate}, journal = {Acta Crystallographica Section E Crystallographic Communications}, volume = {87}, year = {2022}, month = {AUG}, pages = {794-797}, type = {Article}, abstract = {
A new zinc coordination polymer with 5-phenyl-1,3,4-oxa-diazole-2-thiol-ate, namely,\ catena-poly[zinc(II)-bis-(μ2-5-phenyl-1,3,4-oxa-diazole-2-thiol-ato)-κ2N3:S;κ2S:N3], [Zn(C8H5N2OS)2]n, was synthesized. The single-crystal X-ray\ diffraction analysis\ shows that the polymeric structure crystallizes in the centrosymmetric monoclinic\ C2/c\ space group.\ The ZnII\ atom is coordinated to two S and two N atoms from four crystallographically independent (L) ligands, forming zigzag chains along the [001] direction. This polymer complex forms an eight-membered [Zn{\textendash}S{\textendash}C{\textendash}N{\textendash}Zn{\textendash}S{\textendash}C{\textendash}N] chair-like ring with two ZnII\ atoms and two ligand mol-ecules. On the Hirshfeld surface, the largest contributions come from the short contacts such as\ van der Waals forces,\ including H...H, C...H and S...H. Inter-actions including N...H, O...H and C...C contacts were also observed; however, their contribution to the overall stability of the\ crystal lattice\ is minor.
}, keywords = {3, 4-oxa-diazole-2-thiol; coordination polymer; Hirshfeld surface analysis, crystal structure; zinc complex; 5-phenyl-1}, doi = {10.1107/S2056989022006922}, author = {Pirimova, Mehribon and Torambetov, Batirbay and Kadirova, Shakhnoza and Ziyaev, Abdukhakim and Gonnade, Rajesh G. and Ashurov, Jamshid} } @article {48376, title = {Synthesis of 2D MoO3-x/N-doped-carbon nanocomposites via in situ carbonization of layered (NH4)Mo3O9-(NH4)(2)Mo4O13-organic hybrid nanomaterials for exceptionally efficient adsorption and separation of organic dyes}, journal = {Environmental Science-Nano}, volume = {9}, year = {2022}, month = {DEC}, pages = {4508-4523}, type = {Article}, abstract = {
MoO3-x/N-doped-carbon (MoO3-x/N-C) nanocomposites with nanobelt structures were prepared by the in situ carbonization of the (NH4)Mo3O9-(NH4)(2)Mo4O13/oleylamine-oleic acid hybrids, and were designed using a two-step tailored nanoemulsion method followed by a solvothermal process. The MoO3-x/N-C nanocomposites possess high stability in a wide pH range of 1-11. In addition to the formation mechanism, detailed studies on adsorption properties, including adsorption isotherms, kinetics, mechanism, and reusability of the MoO3-x/N-C nanocomposites were systematically studied. The effects of various parameters on the adsorption characteristics, such as adsorbate concentration, contact time, pH, and temperature, were also evaluated. The detailed investigation of the kinetics and adsorption mechanism of MB from an aqueous solution showed that the adsorption process follows a pseudo-second-order kinetics and intraparticle diffusion model. The adsorption isotherm study demonstrated that the Langmuir isotherm model could illustrate the experimental data with a maximum adsorption capacity value of similar to 1360 mg g(-1), which turns out to be the highest among the previously reported adsorbents based on MoO3 nanomaterials, and is attributed to multiple adsorption mechanisms including electrostatic, pi-pi stacking, and H-bonding interactions between the MB dye and the MoO3-x/N-C nanocomposites. Thermodynamic analysis suggested that MB adsorption onto the MoO3-x/N-C nanocomposites was spontaneous and endothermic. Additionally, the adsorption and desorption cycles were examined for 100 ppm aqueous MB solution, where the removal efficiency by the MoO3-x/N-C nanocomposites remained at similar to 99\% even after four regeneration cycles. Furthermore, the MoO3-x/N-C nanocomposites could selectively adsorb MB from a binary solution mixture containing two times higher concentrations of an anionic dye, methyl orange (MO), and the separation efficiency obtained was similar to 99\% at neutral pH. More significantly, the MoO3-x/N-C nanocomposites could successfully and simultaneously adsorb several cationic dyes, including MB, malachite green (MG), crystal violet (CV), safranin O (SO), and separate an anionic dye, MO, from quaternary and pentanary dye mixture solutions with a separation efficiency of similar to 75\% and 62\%, respectively, at neutral pH. To the best of our knowledge, the effective separation of a single component by molybdenum oxide-based nanomaterials via a simple batch separation technique from a four/five-component mixed interfering analyte, close to a real matrix system, in an aqueous medium at neutral pH has not been reported so far. Therefore, the MoO3-x-based nanocomposite could be a new promising material for application in dye wastewater treatment.
}, issn = {2051-8153}, doi = {10.1039/d2en00668e}, author = {Gaikwad, Supriya Hanmant and Porel Mukherjee, Shatabdi} } @article {48003, title = {Synthesis of a highly electron-deficient, water-stable, large ionic box: multielectron accumulation and proton conductivity}, journal = {Organic Letters}, volume = {24}, year = {2022}, month = {APR 19}, pages = {3038-3042}, type = {Article}, abstract = {
pi-acidic boxes exhibiting electron reservoir and proton conduction are unprecedented because of their instability in water. We present the synthesis of one of the strongest electron-deficient ionic boxes showing e(-) uptake as well as proton conductivity. Two large anions fit in the box to form anion-pi interactions and form infinite anion-solvent wires. The box with NO3-center dot center dot center dot water wires confers high proton conductivity and presents the first example that manifests redox and ionic functionality in an organic electron-deficient macrocycle.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.2c00993}, author = {Shukla, Jyoti and Illathvalappil, Rajith and Kumar, Sharvan and Chorol, Sonam and Pandikassala, Ajmal and Kurungot, Sreekumar and Mukhopadhyay, Pritam} } @article {47985, title = {Synthesis of central spiro-bis-THF fragments of symbiospirols A-C}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {JUL}, pages = {13738-13744}, type = {Article}, abstract = {
The gold catalysed alkynediol spiroketalization to assemble the central spiro-bis-THF fragments (C22-C33 and C36-C47) of symbiospirols A-C is documented. The adopted chiral pool approach employed commercially available d-glucose and l-malic acid in the synthesis of key building blocks. In addition, two other possible diastereomers have been synthesized in order to establish the relative stereochemistry of the unassigned THF-center of symbiospirols B/C.
}, issn = {1144-0546}, doi = {10.1039/d2nj02227c}, author = {Shinde, Mahesh H. and Kona, Chandrababu N. and Ramana, V. Chepuri} } @article {47760, title = {Synthesis of indeno-[1,2-b]-quinoline-9,11(6H,10H)-dione and 7,7-dimethyl-10-aryl-7,8-dihydro-5H-indeno[1,2-b]quinoline-9,11(6H,10H )-dione derivatives in presence of heterogeneous Cu/zeolite-Y as a catalyst}, journal = {RSC Advances}, volume = {12}, year = {2022}, month = {JAN }, pages = {2083-2093}, type = {Article}, abstract = {A simple method for the synthesis of indeno-[1,2-b]-quinoline-9,11-(6H,10H)-dione derivatives and 7,7-dimethyl-10-aryl-7,8-dihydro-5H-indeno[1,2-b]quinoline-9,11(6H,10H )-diones through the reaction of aromatic aldehydes, indan-1,3-dione, dimedone, and p-toluidine/ammonium acetate in the presence of heterogeneous CuO supported on a zeolite-Y catalyst has been investigated in ethanol under reflux conditions. By this method, the reaction time has been reduced, giving an excellent yield of the product. The catalyst was prepared by a hydrothermal method followed by a wet impregnation method. The catalyst had shown Bronsted acid sites and Lewis acid sites. The used catalyst could be actively recycled with a marginal decrease in yield up to five recycles. The prepared catalyst was characterized by FT-IR, pyridine FT-IR, XRD, SEM, EDS, XPS, TEM, and BET surface area analysis. The synthesized compounds were characterized by FT-IR, H-1 NMR, C-13 NMR and GC-MS spectroscopy.}, doi = {10.1039/d1ra06637d}, author = {Dhengale, Shankar D. and Rode, V. Chandrashekhar and Kolekar, Govind B. and Anbhule, V. Prashant} } @article {46623, title = {Synthesis of new thiazole and pyrazole clubbed 1,2,3-triazol derivatives as potential antimycobacterial and antibacterial agents}, journal = {Polycyclic Aromatic Compounds}, volume = {42}, year = {2022}, month = {JUL}, pages = {3216-3237}, type = {Article}, abstract = {
New series of 4-methyl-2-(4-substituted phenyl)-5-(4-((4-(4-substituted phenyl)-1H-1,2,3-triazol-1-yl)methyl)-1-phenyl-1H-pyrazol-3-yl)thiazole, 6a-t and 4-(1,3-diphenyl-1H-pyrazol-4-yl)-1-((1,3-diphenyl-1H-pyrazol-4-yl)methyl )-1H-1,2,3-triazole, 11a-o derivatives have been synthesized by applying copper-catalyzed [3 + 2] cycloaddition reaction. The newly synthesized 1,3-thiazolyl-pyrazolyl-1,2,3-triazole (6a-t) and bis-pyrazolyl-1,2,3-triazole (11a-o) derivatives were screened for in vitro antimycobacterial activity against M. Tuberculosis H37Ra dormant and active and antibacterial activity against four pathogenic bacteria, E. coli (NCIM 2576), P. flurescence (NCIM 2059), S. aureus (NCIM 2602) and B. subtilis (NCIM 2162). Compounds 6a, 6f, 6j, 11e and 11m showed good activity against M tuberculosis H37Ra Active strain, also compounds 6g, 6h, 11f, 11n and 11o showed good activity against M tuberculosis H37Ra Dormant strain. Compounds 6b, 6i, 6l, 6o, 6r, 11k, 11l and 11m showed good activity against B. subtilis with IC50 1.99-2.96 mu g/mL. The antibacterial activity of thiazolyl-pyrazolyl-1,2,3-triazole and bis-pyrazolyl-1,2,3-triazole derivatives suggested that, these derivatives could lead to new compounds for treatment against bacterial infection.
}, keywords = {123-Triazole, antibacterial activity, antimycobacterial activity, Pyrazole, Thiazole}, issn = {1040-6638}, doi = {10.1080/10406638.2020.1857272}, author = {Jagadale, Shivaji M. and Abhale, Yogita K. and Pawar, Hari R. and Shinde, Abhijit and Bobade, Vivek D. and Chavan, Abhijit P. and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {48432, title = {Synthesis of ternary cocrystals, salts, and hydrates of acefylline with enhanced dissolution and high permeability}, journal = {Crystal Growth \& Design}, volume = {22}, year = {2022}, month = {JUN}, pages = {4165{\textendash}4181}, abstract = {
Acefylline (ACF) is a stimulant xanthine derivative drug, which is formulated as a piperazine salt for the treatment of bronchial asthma. ACF falls under BCS class IV category of low solubility and poor permeability, which together limit the bioavailability and efficacy of the drug. In this work, ACF binary and ternary cocrystals, salts{\textendash}cocrystals, and their polymorphs are synthesized by cocrystallization with several coformers. Two different methods were adopted for the supramolecular assembly of the ternary systems A.B.C: (1) first, binary adducts A.B or A.C were crystallized by grinding a slurry of the components in a suitable solvent and then C was added and grinding was continued; and (2) all three components were taken in a solvent slurry and ground together. The former method was found to be superior in affording the ternary salt/cocrystal. The role of laboratory seeding is implicated to explain the variation in crystallization results at different stages of the project. Crystal structures of the product{\textquoteright}s binary and ternary systems were solved by single-crystal X-ray diffraction and powder X-ray diffraction data for structure solution. The crystal structures show the recurrence of carboxylate{\textendash}pyridinium and imidazole{\textendash}acid heterosynthons in the binary and ternary adducts. The intermolecular interactions between ACF and the coformer are analyzed by Hirshfeld surfaces, 2D fingerprint plots, and an energy framework. The permeability of ACF increases in binary and ternary systems with selected coformers. The fast dissolution and high permeability of ACF-PIP make this salt an improved crystalline formulation of acefylline.
}, doi = {10.1021/acs.cgd.2c00184}, author = {Allu, Suryanarayana and Garai, Abhijit and Chernyshev, Vladimir V. and Nangia, Ashwini K.} } @article {48151, title = {Tailored synthesis of ultra-stable Au@Pd nanoflowers with enhanced catalytic properties using cellulose nanocrystals}, journal = {Carbohydrate Polymers}, volume = {292}, year = {2022}, month = {SEP}, pages = {119723}, type = {Article}, abstract = {
A green strategy for the synthesis of bimetallic core-shell Au@Pd nanoflowers (NFs) employing banana pseudostem-derived TEMPO-oxidized cellulose nanocrystals (TCNC) as both capping and shape-directing agent via seed-mediated method is presented. Flower-like nanostructures of Au@Pd bound to TEMPO-oxidized cellulose nanocrystals (TCNC-Au@Pd) were decorated on amino-functionalized graphene (NH2-RGO) without losing their unique structure, allowing them to be deployed as an efficient, reusable and a green alternative heterogeneous catalyst. The decisive role of TCNC in the structural metamorphosis of nanoparticle morphology were inferred from the structural and morphology analyses. According to our study, the presence of -OH rich TCNC appears to play a pivotal role in the structured evolution of intricate nanostructure morphology. The feasibility of the bio-supported catalyst has been investigated in two concurrently prevalent model catalytic reactions, namely the oxygen reduction reaction (ORR) and the reduction of 4-nitrophenol, the best model reactions in fuel cell and industrial catalytic applications, respectively.
}, keywords = {Au@Pd, catalysis, Cellulose nanocrystals, Nanoflowers, oxygen reduction reaction}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2022.119723}, author = {Hakkeem, Hasna M. Abdul and Babu, Aswathy and Shilpa, Nagaraju and Venugopal, Adithya A. and Mohamed, A. P. and Kurungot, Sreekumar and Pillai, Saju} } @article {48015, title = {Tailoring diradicaloid properties of expanded isophlorinoids with systematic core-modification}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {AUG}, pages = {8946-8949}, type = {Article}, abstract = {
Herein, we describe the synthesis, structural diversity and diradicaloid characteristics of 38 pi core-modified aromatic expanded isophlorins with eight heterocyclic rings. The diradicaloid character of expanded isophlorinoid macrocycles was engineered by systematic structural modification. Depending on the nature of the link between the heteroatoms, they adopt planar and non-planar conformations. This large structural variation with a significant difference in the extent of aromaticity is correlated with the magnitude of their respective diradical character.
}, issn = {1359-7345}, doi = {10.1039/d2cc02970g}, author = {Ambhore, Madan D. and Shukla, Pragati and Gonnade, Rajesh G. and Anand, Venkataramanarao G.} } @article {48435, title = {Tailoring the properties of Ni(111)/graphone interfaces by intercalation of Al and Na: a DFT study}, journal = {C-Journal of Carbon }, volume = {8}, year = {2022}, month = {NOV}, type = {Article}, abstract = {
With the incredible discovery of graphene (Gr), all of the properties studied to date suggest that it has promising applications in the development of semiconductor, spintronic, insulating, and polymer materials. However, efforts are still underway to fully understand the nature of metal{\textendash}graphone(GrH) interaction in order to offer better scope for tuning the electronic and magnetic properties, which can be performed by intercalation of atoms via metal support on graphene. We chose metal atoms belonging to the s and p blocks, namely Na and Al, respectively, as the intercalating atoms. Herein, the maximum coverage of a monolayer of Na and Al was comparatively studied on a Ni(111) surface. Significant changes in the magnetic and electronic properties at the Ni(111)/graphone interface were observed upon intercalation. Of the two intercalating metal atoms, Na proved to be more effective, such that the magnetic properties of the surface Ni were only slightly decreased, and the graphone also showed better magnetic properties than in the absence of Na.
}, doi = {10.3390/c8040062}, author = {Archana, Ramakrishnan and Joshi, Niharika and Raja, Thirumalaiswamy} } @article {47730, title = {Tantalum based single, double, and triple atom catalysts supported on g-C2N monolayer for effective nitrogen reduction reaction: a comparative DFT investigation}, journal = {Catalysis Science \& Technology}, volume = {12}, year = {2022}, month = {JAN }, pages = {310-319}, type = {Article}, abstract = {Design of efficient and low cost electrocatalysts for the reduction of N-2 molecule to NH3 in a green manner remains a great challenge in the 21st century. Herein, we have used density functional theory based first principle simulations to systematically investigate the nitrogen reduction reaction (NRR) ability of single, double, and triple Ta-atom catalysts anchored to C2N monolayer. Our results demonstrate that the single and triple Ta-atom catalysts anchored to C2N monolayer act as superior catalysts for the NRR via alternating and distal pathways as compared to the Ru(0001) stepped surface. In particular, the triple Ta-atom catalyst anchored to C2N shows enhanced NRR performance with a limiting potential of -0.72 V which is comparable to the experimentally reported Ru based single atom catalyst. Further, all the three catalysts were found to be highly selective for NRR with an enhanced ability to suppress the competitive hydrogen evolution reaction. Electronic structure analysis revealed that the enhanced ability of Ta-3@C2N catalyst to effectively capture and reduce N-2 molecule could be attributed to the built up of localized d states near the fermi level, thereby aiding in strong electron transfer into the antibonding orbitals of N-2. Thus, our findings propose a highly active catalyst for the NRR with an emphasis on the importance of triple atom-based catalysts for electrocatalytic applications.}, issn = {2044-4753}, doi = {10.1039/d1cy01292d}, author = {Rasool, Anjumun and Anis, Insha and Dixit, Mudit and Maibam, Ashakiran and Hassan, Afshana and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {48403, title = {Temporal analysis of melanogenesis identifies fatty acid metabolism as key skin pigment regulator}, journal = {Plos Biology}, volume = {20}, year = {2022}, month = {MAY}, pages = {e3001634}, type = {Article}, abstract = {
Therapeutic methods to modulate skin pigmentation has important implications for skin cancer prevention and for treating cutaneous hyperpigmentary conditions. Towards defining new potential targets, we followed temporal dynamics of melanogenesis using a cell-autonomous pigmentation model. Our study elucidates 3 dominant phases of synchronized metabolic and transcriptional reprogramming. The melanogenic trigger is associated with high MITF levels along with rapid uptake of glucose. The transition to pigmented state is accompanied by increased glucose channelisation to anabolic pathways that support melanosome biogenesis. SREBF1-mediated up-regulation of fatty acid synthesis results in a transient accumulation of lipid droplets and enhancement of fatty acids oxidation through mitochondrial respiration. While this heightened bioenergetic activity is important to sustain melanogenesis, it impairs mitochondria lately, shifting the metabolism towards glycolysis. This recovery phase is accompanied by activation of the NRF2 detoxication pathway. Finally, we show that inhibitors of lipid metabolism can resolve hyperpigmentary conditions in a guinea pig UV-tanning model. Our study reveals rewiring of the metabolic circuit during melanogenesis, and fatty acid metabolism as a potential therapeutic target in a variety of cutaneous diseases manifesting hyperpigmentary phenotype.
}, issn = {1544-9173}, doi = {10.1371/journal.pbio.3001634}, author = {Sultan, Farina and Basu, Reelina and Murthy, Divya and Kochar, Manisha and Attri, Kuldeep S. and Aggarwal, Ayush and Kumari, Pooja and Dnyane, Pooja and Tanwar, Jyoti and Motiani, Rajender K. and Singh, Archana and Gadgil, Chetan and Bhavesh, Neel Sarovar and Singh, Pankaj K. and Natarajan, Vivek T. and Gokhale, Rajesh S.} } @article {46711, title = {Tetrazoloquinoline-1,2,3-triazole derivatives as antimicrobial agents: synthesis, biological evaluation and molecular docking study}, journal = {Polycyclic Aromatic Compounds}, volume = {42}, year = {2022}, month = {SEP}, pages = {1920-1941}, type = {Article}, abstract = {
In search of new active molecules, a small focused library of tetrazoloquinoline-based 1,2,3-triazoles has been efficiently preparedviaclick chemistry approach. Several derivatives were found to be exhibiting promising antimicrobial and antioxidant activity characterized by their lower minimum inhibitory concentration values. All the synthesized compounds exhibited excellent antibacterial activity against Gram negative bacteriaE. coliandF. devoransand antifungal activity againstC. albicansandA. niger. Further, these compounds were tested for their antitubercular activity against dormantMTB H37Raand dormantM. bovis BCGusing XRMA assay protocol and showed no significant activity. Also, the synthesized compounds were found to have potential antioxidant activity with IC(50)range = 12.48-50.20 mu g/mL. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against the active site of fungalC. albicansenzyme P450 cytochrome lanosterol 14 alpha-demethylase, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of thein vitroandin silicostudy suggest that the triazole-incorporated tetrazoloquinolines may possess the ideal structural requirements for further development of novel therapeutic agents.
}, keywords = {1, 2, 3-Triazole, ADME prediction, Antimicrobial, Antioxidant, Docking study}, issn = {1040-6638}, doi = {10.1080/10406638.2020.1821229}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Akolkar, Satish V. and Nagargoje, Amol A. and Khedkar, Vijay M. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {48113, title = {Thallium(III) p-tosylate (TTS) mediated oxidative rearrangement of 2-naphthyl and 2-heteroarylchromanones}, journal = {Indian Journal of Chemistry}, volume = {61}, year = {2022}, month = {SEP}, pages = {923-927}, type = {Article}, abstract = {
A practical and effective approach towards the synthesis of 3-hetroaryl-4H-chromen-4-ones by the oxidative rearrangement of the respective 2-hetroaryl chroman-4-ones using thallium(III) p-tosylate is described. The oxidative rearrangement of alpha and beta-naphthyl and thiophene behave like aryl groups. However, pyridyl groups give only the dehydrogenated product.
}, keywords = {2-(3-pyridyl)chromones, 2-(4-pyridyl)chromones, 2-and 3-(2-theinyl)chromones, 2-and 3-(3-theinyl)chromones, 2-and 3-(?-naphthyl) chromones, Dehydrogenation, Oxidative rearrangements, thallium(III) acetate, thallium(III) p-tosylate}, issn = {0019-5103}, doi = {10.56042/ijc.v61i9.66341}, author = {Kurapati, Chidvilas and Muthukrishnan, M. and Singh, V. Om and Gundla, Rambabu} } @article {47675, title = {Thallium(III) p-tosylate-mediated oxidative [1,2] rearrangement of 2-naphthyl and 2-heteroarylchromanones}, journal = {Journal of Heterocyclic Chemistry}, volume = {59}, year = {2022}, month = {JAN}, pages = {172-177}, type = {Article}, abstract = {A practical and effective approach towards the synthesis of 3-heteroaryl-4H-chromen-4-ones by the oxidative [1,2] rearrangement of the respective 2-heteroaryl chroman-4-ones using thallium(III) p-tosylate is presented. The oxidative rearrangement of alpha- and beta-naphthyl and thiophene substituents behaves like aryl groups; However, pyridyl substituents gave only dehydrogenated products.}, issn = {0022-152X}, doi = {10.1002/jhet.4377}, author = {Kurapati, Chidvilas and Muthukrishnan, Murugan and Singh, V. Om and Gundla, Rambabu} } @article {47894, title = {Thermal and crystallization behaviour of polyphenylene sulfide in engineering polymer blends with HDPE}, journal = {International Polymer Processing}, volume = {2}, year = {2022}, month = {FEB }, pages = {53-58}, type = {Article}, abstract = {
The thermal and crystallization behaviour of polyphenylene sulfide (PPS) in its blends with high density polyethylene (HDPE) is reported. Three grades of HDPE ranging in MFI from 0.4 to 52 were used in the investigation. The effect of composition and molecular weight of HDPE on the crystallization process and morphology of PPS in the blends has been investigated by the technique of Differential Scanning Calorimetry (DSC). In the blends, PPS crystallizes in presence of molten HDPE. It is observed that the morphology of PPS in terms of crystallite size and crystallite size distribution in the blends is significantly affected by blending with HDPE. The temperature onset of melting was found to increase with increasing HDPE content and the melting peak width was found to decrease with increasing HDPE content. This indicates a larger crystallite size and a narrower crystallite size distribution of PPS in blends. The effect is more pronounced in HDPE-rich compositions. The extent of the variation in the temperature onset of melting and peak width were comparable for all the grades of HDPE. The degree of crystallinity of PPS in the blends is reduced significantly (55-70\%) in HDPE-rich blends. Therefore, it is concluded that the crystallization of PPS is affected by the presence of HDPE melt. The crystallization scans of PPS in the blends, obtained in the cooling mode, did not show any evidence of accelerated nucleation. On the other hand, a marginal reduction in the temperature onset of crystallization was observed. The temperature range of crystallization of PPS in the blends was found to be less for all compositions except for 90/10 (PPS/HDPE). In summary it is concluded that blending of HDPE with PPS influences the crystal growth of PPS significantly although the effect on its homogeneous nucleation is also considerable. As a result, the morphology of PPS crystallized in blends is different from that of the homopolymer. The changes in the morphology of PPS are not sensitive to the molecular weight of HDPE probably because of the high temperature of PPS crystallization relative to the melting point of HDPE.
}, issn = {0930-777X}, doi = {10.1515/ipp-1987-0019}, author = {Nadkarni, V. M. and Shingankuli, V. L. and Jog, J. P.} } @article {47771, title = {Thermodynamics and its correlation with dynamics in a mean-field model and pinned systems: a comparative study using two different methods of entropy calculation}, journal = {Journal of Chemical Physics}, volume = {156}, year = {2022}, month = {JAN }, pages = {014503}, type = {Article}, abstract = {A recent study introduced a novel mean-field model system where each particle over and above the interaction with its regular neighbors interacts with k extra pseudo-neighbors. Here, we present an extensive study of thermodynamics and its correlation with the dynamics of this system. We surprisingly find that the well-known thermodynamic integration (TI) method of calculating the entropy provides unphysical results. It predicts vanishing of the configurational entropy at temperatures close to the onset temperature of the system and negative values of the configurational entropy at lower temperatures. Interestingly, well below the temperature at which the configurational entropy vanishes, both the collective and the single-particle dynamics of the system show complete relaxation. Negative values of the configurational entropy are unphysical, and complete relaxation when the configurational entropy is zero violates the prediction of the random first-order transition theory (RFOT). However, the entropy calculated using the two-phase thermodynamics (2PT) method remains positive at all temperatures for which we can equilibrate the system, and its values are consistent with RFOT predictions. We find that with an increase in k, the difference in the entropy computed using the two methods increases. A similar effect is also observed for a system where a randomly selected fraction of the particles are pinned in their positions in the equilibrated liquid. We show that the difference in entropy calculated via the 2PT and TI methods increases with pinning density.}, issn = {0021-9606}, doi = {10.1063/5.0065668}, author = {Nandi, Ujjwal Kumar and Patel, Palak and Moid, Mohd and Nandi, Manoj Kumar and Sengupta, Shiladitya and Karmakar, Smarajit and Maiti, Prabal K. and Dasgupta, Chandan and Bhattacharyya, Sarika Maitra} } @article {48033, title = {Thiocyanate- and thiol-functionalized p-doped quantum dot colloids for the development of bulk homojunction solar cells}, journal = {Energy Technology}, volume = {10}, year = {2022}, month = {SEP}, pages = {2200455}, type = {Article}, abstract = {
Progress in device engineering and surface passivation strategies has led to steady progress in colloidal quantum dot (QD) solar cells. Bulk homojunction (BHJ) device architecture has several advantages over the conventional planar junction in developing QD solar cells. Herein, surface ligand chemistry is utilized to control the doping type and dispersibility of oppositely doped PbS QDs to develop BHJ solar cells. Thiocyanate and thiol ligand combination is introduced to develop p-PbS QD ink, which is blended with halide-passivated n-PbS QDs to build BHJ solar cells. It is shown that BHJ solar cells are benefited from high energy offset and higher hole mobility. This leads to the superior carrier extraction from a thicker active layer without compromising fill factor and open circuit voltage. Power conversion efficiency has reached 10.7\% in 530 nm-thick BHJ solar cells, a 24\% improvement over the best performing planar solar cells. With the help of the 1D solar cell capacitance simulator, it is shown that a 15\% efficient QD solar cell can be realized by further improving the hole mobility above 0.1 cm(2) V-1 s(-1).
}, keywords = {bulk homojunctions, Doping, quantum dots, solar cells, surface functionalization}, issn = {2194-4288}, doi = {10.1002/ente.202200455}, author = {Dambhare, V. Neha and Sharma, Ashish and Mahajan, Chandan and Rath, Arup K.} } @article {48097, title = {Total synthesis of 12, 13-dibenzyl-banistenoside B and analogs}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {MAY}, pages = {e202200222}, type = {Article}, abstract = {
Banistenosides A and B possessing a unique {\textquoteleft}{\textquoteleft}azepino(1,2-a)tetrahydro-beta-carboline{\textquoteright}{\textquoteright} carbon framework were isolated from the stem of Banisteriopsis caapi and showed MAO-A inhibition. Herein, we report the total synthesis of dibenzyl derivative of the untouched natural product in the last two decades, Banistenoside B. The key steps involve construction of 6.5.6.7 tetracyclic core using Pictet-Spengler reaction and intramolecular amide coupling. The stereoselective glycation was achieved through Hotha{\textquoteright}s protocol using gold catalyst, and silver triflate in the late stage of synthesis. The stereochemistry of most of the essential compounds were confirmed by X-ray crystallography.
}, keywords = {Au-catalyst, Multiple steps total synthesis, Natural products, Pictet-Spengler reaction, Wittig reaction}, issn = {1434-193X}, doi = {10.1002/ejoc.202200222}, author = {Patil, Suhag S. and Jachak, Gorakhnath R. and Krishna, Gamidi Rama and Argade, Narshinha P. and Reddy, D. Srinivasa} } @article {48390, title = {Toughening poly(l-lactide) blends: effectiveness of sequence-controlled six-arm star-branched block copolymers of poly(L-lactide) and poly(epsilon-caprolactone)}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {MAR}, pages = {9118-9129}, type = {Article}, abstract = {
Well-defined six-arm star-branched bio-degradable block copolymers of L-lactide and epsilon-caprolactone were prepared using controlled ring-opening polymerization and a sequential monomer addition method using dipentaerythritol as the initiator core and organocatalysts at low temperatures in solution. Sequence of enchainment was changed by reversing the order of monomer addition giving, either, a crystalline PLA block or an amorphous PCL block as the outer segment. Well-defined six-arm poly(epsilon-caprolactone-b-L-lactide, 6s-PCL-b-PLA) block copolymers were obtained with a range of segment molecular weights. However, in the case of six-arm poly(L-lactide-b-epsilon-caprolactone, 6s-PLA-b-PCL), disruption of the block structure was observed on account of competing transesterification reactions accompanying a chain-growth reaction. Such sequence-controlled block copolymers showed interesting phase morphologies, as evidenced by differential scanning calorimetry (DSC) studies. 6s-PCL-b-PLA showed two glass-transition temperatures and two melting temperatures characteristic of the amorphous and crystalline blocks. 6s-PCL-b-PLA and 6s-PLA-b-PCL with different segment chain lengths were solution blended (10 wt \%) with a commercially sourced PLA. All the blends were highly transparent. The structure and properties of the blend were examined by DSC, measurement of mechanical properties, and scanning electron microscopy. The results show that a phase-separated 6s-PCL-b-PLA copolymer results in two- to three-fold improvement in tensile toughness without the loss of modulus. A possible hypothesis for the mechanism of tensile toughness in the blend has been proposed.
}, issn = {2470-1343}, doi = {10.1021/acsomega.1c04486}, author = {Deokar, Megha D. and Garnaik, Baijayantimala and Sivaram, Swaminathan} } @article {48035, title = {Toxicity and preventive approaches of Fusarium derived mycotoxins using lactic acid bacteria: state of the art}, journal = {Biotechnology Letters}, volume = {44}, year = {2022}, month = {OCT}, pages = {1111-1126}, type = {Review}, abstract = {
Mycotoxin contamination of food and feed is a serious food safety issue and causes acute and chronic diseases in humans and livestock. Climatic and agronomic changes helps in the proliferation of fungal growth and mycotoxin production in food commodities. Mycotoxin contamination has attracted global attention due to its wide range of toxicity to humans and animals. However, physical and chemical management approaches in practice are unsafe for well-being due to their health-hazardous nature. Various antibiotics and preservatives are in use to reduce the microbial load and improve the shelf life of food products. In addition, the use of antibiotic growth promotors in livestock production may increase the risk of antimicrobial resistance, which is a global health concern. Due to their many uses, probiotics are helpful microbes that have a significant impact on food and nutrition. Furthermore, the probiotic potential of lactic acid bacteria (LAB) is employed in various food and feed preparations to neutralize mycotoxins, antimicrobial activities, balance the gut microbiome, and various immunomodulatory activities in both humans and livestock. In addition, LAB produces various antimicrobials, flavouring agents, peptides, and proteins linked to various food and health care applications. The LAB-based processes for mycotoxin management are more effective, eco-friendly, and low-cost than physical and chemical approaches. The toxicity, novel preventive measures, binding nature, and molecular mechanisms of mycotoxins{\textquoteright} detoxification using LAB have been highlighted in this review.
}, keywords = {Food safety, Fusarium species, Lactic acid bacteria, management, Mycotoxin}, issn = {0141-5492}, doi = {10.1007/s10529-022-03293-4}, author = {Navale, Vishwambar D. and Vamkudoth, Koteswara Rao} } @article {48230, title = {Transcriptional and translational perturbation in abiotic stress induced physiological activities and metabolic pathway networks in spongy tissue disorder of mango fruit}, journal = {Postharvest Biology and Technology}, volume = {188}, year = {2022}, month = {JUN}, pages = {111880}, type = {Article}, abstract = {
Spongy tissue formation is economically the most detrimental but agriculturally less focused physiological disorder in mango. {\textquoteleft}Alphonso{\textquoteright} cultivar is highly prone to oxidative stress induced spongy tissue disorder impacting biochemical and metabolic profile, thereby affecting pulp quality and nutritional value of the fruit. In the present study, comparative analysis of spongy and healthy mesocarp tissues of {\textquoteleft}Alphonso{\textquoteright} mango by transcriptomics using Illumina sequencing and proteomics using LC-MS approaches, respectively identified and quantified many genes and proteins in the metabolic pathways responsible for the spongy tissue development. The table green and the mid ripe stages of {\textquoteleft}Alphonso{\textquoteright} fruit ripening were evaluated by the transcriptomic study and outcomes were validated using proteomic investigations for all the four ripening stages. Colossal amount of data including 30,582 transcripts, 10,800 gene ontologies and 387 putative proteins was generated from this analysis. Current multi-omics exploration revealed the development of abiotic stress (mainly oxidative stress) induced perturbations in various metabolic pathways and their interconnections, leading to the spongy tissue formation in mango. This further unfolded the altered cell wall degradation, ethylene and flavonoid biosynthesis, fruit ripening and flavor formation, thus hampering the fruit specific characteristics in mango with spongy tissue disorder.
}, keywords = {Oxidative stress, Proteome, spongy tissue disorder, Transcriptome, {\textquoteleft} Alphonso {\textquoteleft} mango}, issn = {0925-5214}, doi = {10.1016/j.postharvbio.2022.111880}, author = {Oak, Pranjali and Jha, Vineet and Deshpande, Ashish and Tanpure, Rahul and Dawkar, Vishal and Mundhe, Swapnil and Ghuge, Sandeep and Prabhudesai, Shrikant and Krishanpal, Anamika and Jere, Abhay and Giri, Ashok and Gupta, Vidya} } @article {47896, title = {Transition metal- and oxidant-free regioselective synthesis of 3,4,5-trisubstituted pyrazoles by means of [3+2] cycloaddition reactions}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {MAR}, pages = {e202200605}, type = {Article}, abstract = {
A highly efficient regioselective synthesis of 3,4,5-trisubstituted pyrazoles via transition metal- and oxidant-free, three component [3+2] cycloaddition with thiazolidinedione chalcones, benzaldehydes and N-tosylhydrazine is described. The reaction proceeds through C-C and C-N bond formations under mild reaction conditions to produce structurally diverse polysubstituted pyrazoles in moderate to good yields.
}, keywords = {3, 4, 5-trisubstituted pyrazoles, Cycloaddition, Multicomponent reaction, Oxidant free, Regioselectivity, Transition metal free}, issn = {2365-6549}, doi = {10.1002/slct.202200605}, author = {Allaka, Bhargava Sai and Basavoju, Srinivas and Gamidi, Rama Krishna} } @article {48153, title = {Trap inlaid cationic hybrid composite material for efficient segregation of toxic chemicals from water (vol 61, e202203385, 2022)}, journal = {Angewandte Chemie-International Edition}, volume = {61}, year = {2022}, month = {OCT}, pages = {e202212921}, type = {Correction}, issn = {1433-7851}, doi = {10.1002/anie.202212921}, author = {Fajal, Sahel and Mandal, Writakshi and Mollick, Samraj and More, Yogeshwer D. and Torris, Arun and Saurabh, Satyam and Shirolkar, Mandar M. and Ghosh, Sujit K.} } @article {48144, title = {Trap inlaid cationic hybrid composite material for efficient segregation of toxic chemicals from water}, journal = {Angewandte Chemie-International Edition}, volume = {61}, year = {2022}, month = {AUG }, pages = {e202203385}, type = {Article}, abstract = {
Metal-based oxoanions are potentially toxic pollutants that can cause serious water pollution. Therefore, the segregation of such species has recently received significant research attention. Even though several adsorbents have been employed for effective management of chemicals, their limited microporous nature along with non-monolithic applicability has thwarted their large-scale real-time application. Herein, we developed a unique anion exchangeable hybrid composite aerogel material (IPcomp-6), integrating a stable cationic metal-organic polyhedron with a hierarchically porous metal-organic gel. The composite scavenger demonstrated a highly selective and very fast segregation efficiency for various hazardous oxoanions such as, HAsO42-, SeO42-, ReO4-, CrO42-, MnO4-, in water, in the presence of 100-fold excess of other coexisting anions. The material was able to selectively eliminate trace HAsO42- even at low concentration to well below the As-v limit in drinking water defined by WHO.
}, keywords = {Aerogel, Chemical Separation, Hybrid composite, Metal-Organic Gel, Metal-Organic Polyhedra}, issn = {1433-7851}, doi = {10.1002/anie.202203385}, author = {Fajal, Sahel and Mandal, Writakshi and Mollick, Samraj and More, Yogeshwer D. and Torris, Arun and Saurabh, Satyam and Shirolkar, Mandar M. and Ghosh, Sujit K.} } @article {48051, title = {Tridentate NacNac stabilized tin and nickel complexes: access to a monomeric nickel hydride and its catalytic application}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {OCT}, pages = {17370-17377}, type = {Article}, abstract = {
The transmetalation reaction of picolyl-supported tridentate nacnac germylene monochloride [2,6-iPr2-C6H3NC-(Me)CHC(Me)NH(CH2py)]GeCl (1) (py = pyridine) with SnCl2 results in an analogous stannylene chloride (2). The three -coordinated stannylenium cation [{2,6-iPr2-C6H3NC(Me)CHC-(Me)NH(CH2py)}Sn]+ with SnCl3- as a counteranion (3) has been generated through the abstraction of chloride ligand from 2 using an additional equivalent of SnCl2. Instead of forming a donor-acceptor complex, 2 undergoes a facile redox trans-metalation reaction with Ni(COD)2 (COD = cyclooctadiene) and CuCl to afford analogous nickel and copper complexes [2,6-iPr2-C6H3NC(Me)CHC(Me)NH(CH2py)]MCl [M = Ni (4) and Cu (5)]. The reactions of 4 with potassium tri-sec-butylborohydride (commonly known as K-selectride) and AgSbF6 provide access to monomeric Ni(II) hydride, [2,6-iPr2-C6H3NC(Me)CHC(Me)NH(CH2py)]NiH (6) and a Ni(II) cation, [{2,6-iPr2- C6H3NC(Me)CHC(Me)NH(CH2py)}Ni][SbF6] (7), respectively. 6 was found to be an effective catalyst for the hydroboration of amides.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c03227}, author = {Pahar, Sanjukta and Sharma, Vishal and Mahata, Biplab and George, Christy P. and Sharma, Himanshu and Vanka, Kumar and Sen, Sakya S.} } @article {48385, title = {Tryptophan-cardanol fluorescent nanoparticles inhibit alpha-synuclein aggregation and disrupt amyloid fibrils}, journal = {Journal of Peptide Science}, volume = {28}, year = {2022}, month = {APR}, pages = {e3374}, type = {Article}, abstract = {
Protein misfolding and aggregation play a vital role in several human diseases such as Parkinson{\textquoteright}s, Alzheimer{\textquoteright}s, and prion diseases. The development of nanoparticles that modulate aggregation could be potential drug candidates for these neurodegenerative disorders. Parkinson{\textquoteright}s disease pathogenesis is closely associated with the accumulation of alpha-synuclein oligomers and fibrils in the substantia nigra of the brain. This report discusses the interactions of novel tryptophan-cardanol nanoparticles with alpha-synuclein protein monomers and fibrils. These nanoparticles could effectively disrupt alpha-synuclein fibrils and inhibit fibril formation at low concentrations such as 5 mu M. The tryptophan-cardanol nanoparticles inhibit fibril formation from unstructured protein resulting in spherical nanostructures. These nanoparticles could also disassemble amyloid fibrils; the complete disappearance of fibrils was evident after 48 h of incubation with tryptophan-cardanol. The transmission electron microscopy (TEM) micrographs after the incubation did not show any remnants of the peptide aggregates or oligomers. The thioflavin T fluorescence after the disassembly was diminished compared with that of fibrils also supports the inhibitory effect of the nanoparticles. Also, these nanoparticles did not reduce the viability of the SH-SY5Y cells. These findings suggest that the tryptophan-cardanol nanoparticles showed sufficiently high inhibitory activity and may have therapeutic potential for synucleinopathies.
}, keywords = {alpha-synuclein, amyloid fibrils, Cardanol, inhibitors, Tryptophan}, issn = {1075-2617}, doi = {10.1002/psc.3374}, author = {Sunny, Lisni P. and Srikanth, Priya and Sunitha, Anju Kunhiraman and Tembulkar, Niyoti and Abraham, Jancy Nixon} } @article {47826, title = {Tuning of oxygen reduction pathways through structural variation in transition metal-doped Ba2In2O5}, journal = {ChemElectroChem}, volume = {9}, year = {2022}, month = {JAN}, pages = {e202101163}, type = {Article}, abstract = {Abstract Oxygen reduction reaction (ORR) can take place either through a two-electron pathway to form H2O2 or through a four-electron pathway to form H2O. Both the reactions are important in the respective fields, viz., H2O2 production as well as fuel cell technology, and rational design of catalysts is mandatory to acquire high energy efficiency in both cases. Here, we report the structure-electrochemical property correlation of a series of perovskite related brownmillerite compounds, Ba2In0.75M0.25O5 (M=Mn/Fe/Co/Ni/Cu), synthesized by solid-state method. On transition metal doping, octahedral distortions were observed, and the highly disordered material tends to follow the 4e transfer mechanism. More symmetrical structures followed the 2e pathway to form H2O2 as the product with high peroxide selectivity. The distortion in the octahedral arrangement can be a descriptor to finetune the selectivity of the catalysts towards the 2e and 4e pathways of ORR.}, keywords = {brownmillerite, Descriptors, Electrochemical H2O2 synthesis, Octahedral distortion, oxygen reduction reaction}, doi = {10.1002/celc.202101163}, author = {Thundiyil, Shibin and Pandikassala, Ajmal and Kurungot, Sreekumar and Devi, R. Nandini} } @article {48047, title = {Tuning of work function of ZnO by doping and co-doping: an investigation using X-ray photoelectron spectroscopy}, journal = {Thin Solid Films}, volume = {761}, year = {2022}, month = {NOV}, pages = {139538}, type = {Article}, abstract = {
The shift in the work function of the ZnO thin film upon varying codoping ratio has been investigated by X-ray photoelectron spectroscopy. A notable shift of 0.2 eV in the work function was achieved in the films when the Al: In doping ratio was changed from 0:10 to 10:0. The elemental composition of the dopants obtained from XPS analysis showed the presence of more amount of In dopant than Al in codoped ZnO films. In this way a clear understanding of the variation in electrical properties on dopant ratio is obtained. A decrease in work function was also observed with the increase in free carrier concentration when the codopant ratio is changed. The effects of Burstein moss, band narrowing, and band renormalization observed in the bandgap were explained by an upward and downward shift of valence band maxima of the corresponding thin films. The controllable work function of the codoped ZnO films by varying the doping ratio offers excellent potential advantages in optoelectronic devices.
}, keywords = {Indium -Aluminum co -doping, Spray coating, thin film, Work function, X-ray photoelectron spectroscopy, Zinc oxide}, issn = {0040-6090}, doi = {10.1016/j.tsf.2022.139538}, author = {Soumya, K. and Selvam, I. Packia and Vinod, C. P. and Potty, S. N.} } @article {48181, title = {Tuning the hybridization and charge polarization in metal nanoparticles dispersed over Schiff base functionalized SBA-15 enhances CO2 capture and conversion to formic acid}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {SEP}, pages = {18354-18362}, type = {Article}, abstract = {
Different Schiff base functionalized SBA-15 materials were synthesized through condensation reactions between 3-aminopropyltriethoxysilane (APTES) and different aldehydes (glutaraldehyde and butyraldehyde) over a mesoporous silica, SBA-15 (APTES-GLU/SBA-15 and APTES-BUT/SBA-15). Both static and dynamic experiments have been used for testing the CO2 capture efficiency of these materials. The hybridization of the N atom in APTES has been tuned from sp(3) to sp(2) upon condensation facilitating optimum CO2 capture in the direct synthesis of APTES-GLU/SBA-15. The undesirable oxides of nitrogen have been removed during the synthesis process to improve the CO2 capture efficiency. These materials were employed as supports for Pd-Ag and Pd-Ni bimetallic systems for the selective conversion of the captured CO2 to formic acid (FA) in 0.5 M KHCO3 solution. The Pd-Ni catalyst system exhibited enhanced CO2 to FA conversion activity compared to other heterogeneous systems, which is similar to 4 times better than that of the Pd-Ag system in this study. The X-ray absorption studies over the catalyst material confirmed that the relatively electron-deficient Ni in Pd-Ni compared to Ag in Pd-Ag favoured higher charge polarization between the metals in the Pd-Ni system enhancing the CO2 to FA conversion. The experimental observations are well supported by the DFT calculations.
}, issn = {2050-7488}, doi = {10.1039/d2ta03690h}, author = {Cherevotan, Arjun and Ray, Bitan and Yadav, Anish and Bagchi, Debabrata and Singh, Ashutosh Kumar and Riyaz, Mohd and Churipard, Sathyapal R. and Naral, Vinay and Kaur, Komalpreet and Gautam, Ujjal K. and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {47040, title = {Two antibacterial spiro compounds from the roots of Artemisia pallens wall: evidence from molecular docking}, journal = {Natural Product Research}, volume = {36}, year = {2022}, month = {MAY}, pages = {2465-2472}, type = {Article}, abstract = {
Bioassay-guided isolation from acetone extract of the roots of Artemisia pallens Wall yielded two spiro compounds (1 and 2). The structures of these compounds were determined on the basis of spectroscopic techniques such as IR, MS, 1 D and 2 D- NMR. The acetone extract, fractions and the isolated two compounds were investigated for their antibacterial activity against two gram negative (E. coli, P. aeruginosa) and two gram positive (S. aureus, B. subtilis) bacterial strains. Compound (2) showed the best spectra of activity with IC50 and MIC values between 2.48-3.08 and 12.78 - 21.77 mu M and Compound (1) with 2.57-3.69 and 38.17 - 80.57 mu M, respectively, for the four bacterial strains, whereas inactive against Mycobacterium tuberculosis. Molecular docking study could further help in understanding the various interactions between these compounds and DNA gyrase active site in detail and thereby could provide valuable insight into the mechanism of action.
}, keywords = {antibacterial activity, antimycobacterial activity, Artemisia pallens, Asteraceae, Molecular docking, spiro compound}, issn = {1478-6419}, doi = {10.1080/14786419.2021.1902325}, author = {Honmore, Varsha S. and Natu, Arun D. and Khedkar, Vijay M. and Arkile, Manisha A. and Sarkar, Dhiman and Rojatkar, Supada R.} } @article {48413, title = {Ultrahigh capacitance of NiCo2O4/CeO2 mixed metal oxide material for supercapacitor applications}, journal = {Journal of Alloys and Compounds}, volume = {899}, year = {2022}, month = {APR}, pages = {163312}, type = {Article}, abstract = {
Pertaining to research on energy consumption and energy storage systems, new and efficient mixed metal oxides of NiCo2O4/CeO2 as pseudo-capacitor materials have been successfully prepared by sol-gel combustion method. The synthesized unique spinel nanomaterials have been analyzed for structural and morphological characterization by FT-IR, XRD, XPS and electron microscopy techniques. The mesoporous structure and large specific surface area of the synthesized nanomaterials provide an easy channel for ion mobility rendering an effortless redox process at the electrode electrolyte interface. As a consequence, it is observed that NiCo2O4 mixed with 10\% of CeO2 exhibits an excellent specific capacitance of 1355 Fg(-1) at 5 Ag-1 along with a high cycling stability with only 4.7\% capacity loss at the end of 6000 cycles at a charge-discharge current density of 10 Ag-1. The results obtained are in par with some of the recent electrode materials used for supercapacitors suggesting the possible employment of NiCo2O4/CeO2 mixed metal oxides in energy storage applications. (C) 2021 Elsevier B.V. All rights reserved.
}, keywords = {Charge-discharge, cyclic voltammetry, NiCo2O4/CeO2, specific capacitance, supercapacitor}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.163312}, author = {Santhosh, G. and Nayaka, G. P. and Bhatt, Aarti S.} } @article {48212, title = {Ultra-high performance liquid chromatography Q-Orbitrap MS/MS-based profiling and quantification of limonoids in Meliaceae plants}, journal = {Analytical and Bioanalytical Chemistry}, volume = {414}, year = {2022}, month = {AUG}, pages = {6093-6106}, type = {Article}, abstract = {
Meliaceae plants have been extensively used in agriculture, folklore, and traditional medicine. They are the major storehouses for structurally diverse limonoids (meliacins) possessing various bioactivities like antifeedant, insecticidal, antimicrobial, etc. However accurate detection of these tetranortriterpenes from the vast pool of metabolites in plant tissue extracts or biological sample is a crucial challenge. Though the mass spectrum (MS) provides the molecular mass and the corresponding elemental composition, it cannot be relied precisely. The exact identification of a specific metabolite demands the MS/MS spectrum containing the signature product ions. In the present study, we have developed the UHPLC Q-Orbitrap-based method for identification, quantification, and characterization of limonoids in different plant tissue extracts requiring minimum plant material. Using this method, we carried out the limonoid profiling in different tissue extracts of sixteen Meliaceae plants and the identification of limonoids was performed by comparing the retention time (RT), ESI-(+)-MS spectrum, and HCD-MS/MS of the purified fifteen limonoids used as reference standards. Our results revealed that early intermediates of the limonoid biosynthetic pathway such as azadiradione, epoxyazadiradione, and gedunin occurred more commonly in Meliaceae plants. The MS/MS spectrum library of the fifteen limonoids generated in this study can be utilized for identification of these limonoids in other plant tissue extracts, botanical fertilizers, agrochemical formulations, and bio pesticides.
}, keywords = {LC-HRMS, LC-MS/MS, Limonoids, Meliaceae, Natural product, Quantification}, issn = {1618-2642}, doi = {10.1007/s00216-022-04169-2}, author = {Mulani, Fayaj A. and Nandikol, Sharvani S. and Kajjihundi, Jagadeesh S. and Pathappa, Niranjana and Puttappa, Sharanappa and Thulasiram, V. Hirekodathakallu} } @article {47829, title = {Ultrathin twisty PdNi alloy nanowires as highly active ORR electrocatalysts exhibiting morphology-induced durability over 200 K cycles}, journal = {Nano Letters}, volume = {22}, year = {2022}, month = {JAN}, pages = {246-254}, type = {Article}, abstract = {Even though the anion exchange membrane fuel cells have many advantages, the stability of their electrocatalysts for oxygen reduction reaction (ORR) has remained remarkably poor. We report here on the ultrathin twisty PdNi-alloy nanowires (NWs) exhibiting a very low reaction overpotential with an E1/2 \~{} 0.95 V versus RHE in alkaline media maintained over 200 K cycles, the highest ever recorded for an electrocatalyst. The mass activity of the used NWs is >10 times higher than fresh commercial Pt/C. Therein, Ni improves the Pd d-band center for a more efficient ORR, and its leaching continuously regenerates the surface active sites. The twisty nanowire morphology imparts multiple anchor points on the electrode surface to arrest their detachment or coalescence and extra stability from self-entanglement. The significance of the NW morphology was further confirmed from the high-temperature durability studies. The study demonstrates that tailoring the number of contact points to the electrode-surface may help realize commercial-grade stability in the highly active electrocatalysts.}, doi = {10.1021/acs.nanolett.1c03704}, author = {Sahoo, Lipipuspa and Garg, Reeya and Kaur, Komalpreet and Vinod, C. P. and Gautam, Ujjal K.} } @article {48199, title = {Understanding the effect of sodium polyphosphate on improving the chemical stability of Ti3C2Tz MXene in water}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {OCT }, pages = {22016-22024}, type = {Article}, abstract = {
Degradation of MXenes in aqueous environments severely limits the application and industrialization of this large family of two-dimensional (2D) materials. Hydrolysis and oxidation are now considered as two main degradation mechanisms and while significant efforts have been directed to prolonging the shelf-life of MXenes, separating and studying their degradation mechanisms have lagged behind. Herein, gas analysis via gas chromatography and Raman spectroscopy were used to investigate the effect of sodium polyphosphate, PP, on the degradation of Ti3C2Tz MXene. Transmission and scanning electron microscopies, as well as X-ray photoelectron spectroscopywere also used as complimentary techniques to support conclusions derived from gas analysis and to confirm the extent of degradation via characterization of solid reaction products. Based on these studies we have determined that the addition of PP to an equal mass of Ti3C2Tz solution can effectively suppress hydrolysis and protect Ti3C2Tz from degradation.
}, issn = {2050-7488}, doi = {10.1039/d2ta04009c}, author = {Huang, Shuohan and Natu, Varun and Tao, Jingyi and Xia, Yumin and Mochalin, Vadym N. and Barsoum, Michel W.} } @article {48081, title = {Understanding unfolding and refolding of the antibody fragment (Fab) III: mapping covalent and non-covalent interactions during in-vitro refolding of light chain, heavy chain, and Fab.}, journal = {Biochemical Engineering Journal}, volume = {187}, year = {2022}, month = {NOV}, pages = {108644}, type = {Article}, abstract = {
In-vitro refolding of the antibody fragments from inclusion bodies is a critical manufacturing bottleneck. We have previously reported that Fab refolding involves the formation of an intermediate. To further decode the refolding pathway, we have mapped the covalent and non-covalent interactions during in-vitro refolding of individual light chain (LC), heavy chain (HC), and intact Fab. Intrinsic fluorescence analysis was performed to map the non -covalent interactions, whereas time-dependent disulfide mapping was performed using LC-MS/MS analysis under non-reducing and reducing atmospheres. Refolding of purified LC, HC, and intact Fab (Biosimilar rHu Ranibi-zumab) was investigated in the study. Under the reducing condition, LC, HC, and intact Fab required around 96, 30, and 70 h, respectively, whereas, under non-reducing conditions, they required only 48, 10, and 48 h, respectively, to acquire the native conformation. The disulfide bond mapping revealed that the bond between LC_Cys23/Cys88 is more unstable. The peptides mapped with the inter-chain disulfide bond were identified at 48 h during the refolding and can be considered as the rate-limiting step in (Fab) refolding. We have also studied a new refolding strategy involving assembly of separately refolded LC and HC into Fab molecule. In this case the Fab refolding yield was low (18.0 +/- 1.36\%), indicating inefficient assembly of refolded LC and HC chain into native Fab molecule.
}, keywords = {Antibody fragment, Disulfide bond formation, In-vitro refolding, Light and heavy chain, rHu Ranibizumab}, issn = {1369-703X}, doi = {10.1016/j.bej.2022.108644}, author = {Gani, Kayanat and Chirmade, Tejas and Ughade, Santosh and Thulasiram, Hirekodathakallu and Bhambure, Rahul} } @article {48011, title = {Understanding unfolding and refolding of the antibody fragments (Fab). II. Mapping intra and inter-chain disulfide bonds using mass spectrometry}, journal = {Biochemical Engineering Journal}, volume = {182}, year = {2022}, month = {MAY}, pages = {108439}, type = {Article}, abstract = {
Disulfide bond formation in recombinant protein therapeutics has a significant impact on the integrity and biological activity of the drug product. Formation of the disulfide linkage is the key rate-limiting step in in vitro refolding and overall manufacturing of the antibody fragments (Fab). This investigation is focused on mapping the intra, and inter-chain disulfide bonds in the in vitro refolded antibody fragments by using mass spectrometry (MS). Biosimilar rHu Ranibizumab and rHu Certolizumab expressed using E. coli were selected for the study. Both Fabs contain ten cysteine residues leading to two intra-chain disulfide bonds on each subunit and a single interchain disulfide linkage. rHu Certolizumab has an additional cysteine which is unpaired and used for pegylation. The amino acid sequence in the disulfide-bonded peptides was confirmed by Collision-induced dissociation (CID), Electron transfer dissociation (ETD) and High-energy collision dissociation (HCD). The light chain (LC) intra-chain disulfide is formed between Cys23-Cys88 and Cys134-Cys194 in both the Fabs. The heavy chain (HC) intra-chain disulfides are formed between Cys22-Cys96 and Cys150-Cys206 in rHu Ranibizumab. LC and HC subunits of rHu Ranibizumab are covalently linked by disulfide linkage formed between Cys214 of LC and Cys226 of HC. This study suggests that information from multiple MS platforms and orthogonal methods for peptide fragmentation can be effectively used to map disulfide linkages in biosimilar therapeutic proteins.
}, keywords = {Antibody fragments (Fab), Collision-induced dissociation, Electron transfer dissociation, High-energy collision dissociation, in vitro refolding, Ranibizumab}, issn = {1369-703X}, doi = {10.1016/j.bej.2022.108439}, author = {Nainwal, Neeraj and Chirmade, Tejas and Gani, Kayanat and Rana, Sunil and Bhambure, Rahul} } @article {47732, title = {Unraveling the reaction mechanism of selective C9 monomeric phenols formation from lignin using Pd-Al2O3-activated biochar catalyst}, journal = {Bioresource Technology}, volume = {344}, year = {2022}, month = {JAN}, pages = {126204}, type = {Article}, abstract = {The conversion of biomass-derived lignin to valuable monomeric phenols at high selectivity is of paramount importance for sustainable biorefineries. In this study, a novel Pd-Al2O3 supported on activated biochar catalyst is developed for lignin hydrogenolysis. The catalyst characterization revealed that the (1 1 1) planes of both of Pd-0 and Al2O3 were exposed to the surface. The maximum lignin conversion of 70.4\% along with high liquid yield (similar to 57 wt\%) was obtained at 240 degrees C, 3 h and 3 MPa H-2 pressure. The total monomeric phenols yield in the liquid was 51.6 wt\%, out of which C9 monomeric guaiacols constituted similar to 30.0 wt\% with 38.0\% selectivity to 4-propyl guaiacol. Using the reaction intermediate, coniferyl alcohol, chemoselective hydrogenation of C-alpha=C-beta is proved to occur over the Pd site, while dehydroxylation of C-gamma-OH is shown to occur over the alumina site. An impressive carbon atom economy of 60\% was achieved for the production of monomeric phenols.}, keywords = {Hydrogenolysis, lignin, Mechanism, Pd-Al/activated biochar, Propanol guaiacol, Propyl guaiacol}, issn = {0960-8524}, doi = {10.1016/j.biortech.2021.126204}, author = {Gurrala, L. and Kumar, M. M. and Yerrayya, Attada and Kandasamy, Prabu and Castano, Pedro and Raja, T. and Pilloni, Giovanni and Paek, C. and Vinu, R.} } @article {48200, title = {Unravelling faradaic electrochemical efficiencies over Fe/Co spinel metal oxides using surface spectroscopy and microscopy techniques}, journal = {Nanoscale}, volume = {14}, year = {2022}, month = {NOV }, pages = {15928-15941}, type = {Article}, abstract = {
Cobalt and iron metal-based oxide catalysts play a significant role in energy devices. To unravel some interesting parameters, we have synthesized metal oxides of cobalt and iron (i.e. Fe2O3, Co3O4, Co2FeO4 and CoFe2O4), and measured the effect of the valence band structure, morphology, size and defects in the nanoparticles towards the electrocatalytic hydrogen evolution reaction (HER), the oxygen evolution reaction (OER) and the oxygen reduction reaction (ORR). The compositional variations in the cobalt and iron precursors significantly alter the particle size from 60 to \<10 nm and simultaneously the shape of the particles (cubic and spherical). The Tauc plot obtained from the solution phase ultraviolet (UV) spectra of the nanoparticles showed band gaps of 2.2, 2.3, 2.5 and 2.8 eV for Fe2O3, Co3O4, Co2FeO4 and CoFe2O4, respectively. Further, the valence band structure and work function analysis using ultraviolet photoelectron spectroscopy (UPS) and core level X-ray photoelectron spectroscopy (XPS) analyses provided better structural insight into metal oxide catalysts. In the Co3O4 system, the valence band structure favors the HER and Fe2O3 favors the OER. The composites Co2FeO4 and CoFe2O4 show a significant change in their core level (O 1s, Co 2p and Fe 2p spectra) and valence band structure. Co3O4 shows an overpotential of 370 mV against 416 mV for Fe2O3 at a current density of 2 mA cm(-2) for the HER. Similarly, Fe2O3 shows an overpotential of 410 mV against the 435 mV for Co3O4 at a current density of 10 mA cm(-2) for the OER. However, for the ORR, Co3O4 shows 70 mV improvement in the half-wave potential against Fe2O3. The composites (Co2FeO4 and CoFe2O4) display better performance compared to their respective parent oxide systems (i.e., Co3O4 and Fe2O3, respectively) in terms of the ORR half-wave potential, which can be attributed to the presence of the oxygen vacancies over the surface in these systems. This was further corroborated in density functional theory (DFT) simulations, wherein the oxygen vacancy formation on the surface of CoFe2O4(001) was calculated to be significantly lower (similar to 50 kJ mol(-1)) compared to Co3O4 (001). The band diagram of the nanoparticles constructed from the various spectroscopic measurements with work function and band gap provides in-depth understanding of the electrocatalytic process.
}, issn = {2040-3364}, doi = {10.1039/d2nr04170g}, author = {Kashyap, Varchaswal and Pandikassala, Ajmal and Singla, Gourav and Khan, Tuhin Suvra and Haider, M. Ali and Vinod, C. P. and Kurungot, Sreekumar} } @article {48095, title = {Use of isoperibolic reaction calorimeter for the study of reaction kinetics of acetic anhydride hydrolysis reaction: effect of acetic anhydride and water ratio}, journal = {Chemical and Process Engineering-Inzynieria Chemiczna I Procesowa}, volume = {43}, year = {2022}, month = {DEC}, pages = {255-264}, type = {Article; Proceedings Paper}, abstract = {
Reaction kinetics of acetic anhydride hydrolysis reaction is being studied at a fixed reaction temperature and ambient pressure using an isoperibolic reaction calorimeter. Temperature versus time data along with heat and mass balance is used to determine the kinetics parameters i.e. activation energy and Arrhenius coefficient. It has been studied with the varying volumetric ratio of acetic anhydride and water; and kinetics parameters were compared and plotted for each ratio. Such a study has not been done previously to determine the kinetics dependency on varying the acetic anhydride water ratio. As the acetic anhydride hydrolysis reaction is exothermic in nature, the present study will help to decide the safe and suitable operating conditions such as concentration and temperature for conducting this reaction at plant scale. The kinetic data presented can be used further for the mathematical modeling and simulation of such exothermic hydrolysis reactions.
}, keywords = {acetic anhydride, Hydrolysis, kinetics, reaction calorimeter, Water}, issn = {0208-6425}, doi = {10.24425/cpe.2022.140829}, author = {Kumar, Rajendra and Tiwari, Anurag Kumar} } @article {48162, title = {Versatile chemistry of six-membered NHC with boranes: bromination at sp(3) borane, activation of the B-H bond of HBpin, and ring expansion of NHC}, journal = {Dalton Transactions}, volume = {51}, year = {2022}, month = {OCT}, pages = {14452-14457}, type = {Article}, abstract = {
The NHC.borane chemistry has been majorly restricted to imidazol-2-ylidene classes of carbenes. In our previous communication, we reported the synthesis of 6-SIDipp center dot BH3 [6-SIDipp = 1,3-di(2,6-diisopropylphenyl) tetrahydropyrimidine-2-ylidene] and its electrophilic substitution reaction with iodine. Here, we have shown selective bromination of a 6-SIDipp stabilized sp(3) B-H bond. Treatment of 1.2 equivalents of N-bromosuccinamide with 6-SIDipp center dot BH3 gives a mixture of mono- and disubstituted products 6-SIDipp center dot BH2Br (1) and 6-SIDipp center dot BHBr2 (2). However, the reactions with alkyl bromides or carbon tetrabromide resulted in 6-SIDipp center dot BH2Br (1) selectively. Exploration of the chemistry of 6-SIDipp with BHCl2 and 9-BBN (9-borabicyclo[3.3.1]nonane) led to mono-6-SIDipp adducts 3 and 6a. Furthermore, 6a undergoes ring expansion to afford a seven-membered product, 6b, under mild conditions. Unlike BHCl2 or 9-BBN, the B-H bond of HBpin undergoes oxidative addition upon reaction with 6-SIDipp, epitomizing the first example (7) of a B-H bond insertion at NHCs. The analogous reactivity with HBcat led to a tetra-hydropyrimidinium salt with B(cat)(2) as a counteranion (8).
}, issn = {1477-9226}, doi = {10.1039/d2dt01707e}, author = {Kundu, Gargi and Dixit, Ruchi and Tothadi, Srinu and Vanka, Kumar and Sen, Sakya S.} } @article {48416, title = {Viscoelastic covalent organic nanotube fabric via macroscopic entanglement}, journal = {Journal of the American Chemical Society}, volume = {144}, year = {2022}, month = {SEP }, pages = {16052-16059}, type = {Article}, abstract = {
Covalent organic nanotubes (CONTs) are one-dimensional porous frameworks constructed from organic building blocks via dynamic covalent chemistry. CONTs are synthesized as insoluble powder that restricts their potential applications. The judicious selection of 2,2{\textquoteright}-bipyridine-5,5{\textquoteright}-dicarbaldehyde and tetraaminotriptycene as building blocks for TAT-BPy CONTs has led to constructing flexible yet robust and self-standing fabric up to 3 mu m thickness. The TAT-BPy CONTs and TAT-BPy CONT fabric have been characterized by solid-state one-dimensional (1D) C-13 CP-MAS, two-dimensional (2D) C-13-H-1 correlation NMR, 2D H-1-H-1 DQ-SQ NMR, and 2D N-14-H-1 correlation NMR spectroscopy. The mechanism of fabric formation has been established by using high-resolution transmission electron microscopy and scanning electron microscopy techniques. The as-synthesized viscoelastic TAT-BPy CONT fabric exhibits high mechanical strength with a reduced modulus (E-r) of 8 (+/- 3) GPa and hardness (H) of 0.6 (+/- 0.3) GPa. Interestingly, the viscoelastic fabric shows time-dependent elastic depth recovery up to 50-70\%.
}, issn = {0002-7863}, doi = {10.1021/jacs.2c06133}, author = {Koner, Kalipada and Das, Susobhan and Mohata, Shibani and Duong, Nghia Tuan and Nishiyama, Yusuke and Kandambeth, Sharath and Karak, Suvendu and Reddy, C. Malla and Banerjee, Rahul} } @article {48436, title = {Viscoelastic liquid from regenerated silk fibroin in the silk i conformation: a writeable and shapeable material}, journal = {ACS Applied Polymer Materials}, volume = {4}, year = {2022}, month = {JUN}, pages = {4699{\textendash}4708}, type = {Article}, abstract = {
Regenerated silk fibroin (RSF) has acquired enormous attention because of its exceptional toughness, strength, and biocompatible nature. These properties make RSF a potential candidate for the fabrication of different types of materials. However, processing even a dilute aqueous solution of RSF leads to a conformational transformation from a random coil/helix-rich (silk I) to a beta-sheetrich (silk II) state. As a consequence, RSF tends to form aggregates and loses its toughness. Working in a direction to address this problem, an aqueous solution of regenerated silk fibroin has been modified with a dual layer of polyethylenimine (PEI) and a PEG-based polymer surfactant (PS). Upon freeze-drying, the RSF-polymer complex forms a solvent-free RSF bioconjugate system and exhibits a soft solid to liquid melting transition at similar to 45 degrees C. The sequential modification with PEI and PS preserves the native-like random coil conformation of RSF up to at least 8 months of storage by not allowing interchain interactions that can lead to aggregation. Rheological and small-angle X-ray scattering measurements show that the solvent-free system is viscoelastic and exhibits a higher order microstructure mediated by the packing of the PS chains, respectively. Temperature-dependent soft solid-liquid-like dual behavior offers applications in injection-based writing, compression molding, and shaping RSF bioconjugates into various types of geometries. Furthermore, the mechanical properties of the RSF bioconjugate system can be modulated by crosslinking with glutaraldehyde vapor at 50 degrees C.
}, keywords = {RSF liquid, RSF soft solid, silk I conformation, silk liquid, viscoelastic}, issn = {2637-6105}, doi = {10.1021/acsapm.2c00290}, author = {Kumar, Raj and Joseph, Emmanuel and Chaudhari, Atul and Nisal, Anuya and Sharma, Kamendra P.} } @article {48078, title = {Visible light-promoted, photocatalyst-free C(sp(2))-H bond functionalization of indolizines via EDA complexes}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {MAY}, pages = {e202200261}, type = {Article}, abstract = {
The catalyst and additive-free, photo-driven cross dehydrogenative coupling (CDC) reaction initiated by electron donor-acceptor (EDA) complexes between electron rich indolizines and electron poor quinones has been demonstrated. This green transformation reveals the advantages of operational simplicity, mild reaction conditions and good functional group tolerances.
}, keywords = {Blue LED, CDC, EDA, Indolizine, Quinone}, issn = {1434-193X}, doi = {10.1002/ejoc.202200261}, author = {Mane, Kishor D. and Rupanawar, Bapurao D. and Suryavanshi, Gurunath} } @article {47827, title = {Vitrimers based on bio-derived chemicals: overview and future prospects}, journal = {Chemical Engineering Journal}, volume = {433}, year = {2022}, month = {APR}, pages = {133261}, type = {Article}, abstract = {The perspective of using recyclable and biobased materials in the vitrimeric concept is attractive, in view of the regulatory guidelines and pressing need to reduce CO2-emissions. The expansion of viable bio-based polymeric materials is gaining increased attention to achieve sustainable development goals. Although durability, cost, and performance still limit their real life applications, these limitations can be overcome through state-of-the-art bio-vitrimeric materials displaying thermoset like mechanical and thermal properties as well as thermoplastic like malleable and thus recyclable properties. Bio-derived chemicals based vitrimers can be of advantage, where material design is made from scratch, allowing to plan material properties in line with their future life cycle from the very beginning. This article emphasizes the current needs of vitrimers based on bio-derived chemicals, including their recycling, reprocessing, and self-healing properties, along with their advantages and potential obstacles from todays{\textquoteright} perspective. The article also identifies potential bio-derivatives as attractive building blocks for vitrimers because of their potential for sustainability.}, keywords = {Recycling, Self-healing, Sustainable materials, Vitrimers}, issn = {1385-8947}, doi = {10.1016/j.cej.2021.133261}, url = {https://www.sciencedirect.com/science/article/pii/S1385894721048361}, author = {Balaji Krishnakumar and Andrea Pucci and Prakash P. Wadgaonkar and Indresh Kumar and Wolfgang H. Binder and Sravendra Rana} } @article {48437, title = {Water-controlled keto-enol tautomerization of a prebiotic nucleobase}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {JUL}, pages = {5735{\textendash}5743}, type = {Article}, abstract = {
Barbituric acid is believed to be a proto-RNA nucleobase that was used for biological information transfer on prebiotic earth before DNA and RNA in their present forms evolved. Nucleobases have various tautomeric forms and the relative stability of these forms is critical to their biological function. It has been shown that barbituric acid has a tri-keto form in the gas phase and an enol form in the solid state. However, its dominant tautomeric form in aqueous medium that is most relevant for biology has been investigated only to a limited extent and the findings are inconclusive. We have used multiple approaches, namely, molecular dynamics, quantum chemistry, NMR, and IR spectroscopy to determine the most stable tautomer of barbituric acid in solution. We find a delicate balance in the stability of the two tautomers, tri-keto and enol, which is tipped toward the enol as the extent of solvation by water increases.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.2c02507}, author = {Datar, Avdhoot and Paithankar, Harshad and Deb, Pranab and Chugh, Jeetender and Bagchi, Sayan and Mukherjee, Arnab and Hazra, Anirban} } @article {48140, title = {Wearable fabric supercapacitors based on CNTs and polyhedral ZnO with a wide potential window}, journal = {International Journal of Energy Research}, volume = {46}, year = {2022}, month = {MAY}, pages = {8186-8200}, type = {Article}, abstract = {
Wearable electronic devices such as health monitors, sensors, and e-skin can be powered by lightweight, high-power supercapacitors. Using a binder-free and low-temperature hydrothermal method, polyhedral ZnO nanoparticles were grown on carbon nanotube (CNT)-decorated cotton fabric, which is friendly to human skin and highly wearable, inexpensive, and thus commercially viable. The concentration of the starting material, zinc acetate, was varied to optimize the electrochemical performance. The evenly spaced polyhedral ZnO facilitated efficient permeation of the electrolyte into the active material. The fabric filaments were decorated with CNTs to enhance electron transfer and the overall electrochemical processes. The symmetric cell comprised of cotton fabric decorated with ZnO polyhedron/CNT showed no discernible change in the cyclic voltammetry curves even after 500 bending cycles, demonstrating the mechanical durability of the electrode. The potential window of 1.6 V using a Na2SO4/K2SO4 aqueous dual-ion electrolyte improved the long-term electrochemical stability and increased the energy storage capacity. The capacitance retention was 94\% after 5000 cycles at a current density of 1 A center dot g(-1), indicating long-term electrochemical stability. A specific capacitance of 375 F center dot g(-1) at a current density of 5 A center dot g(-1) and energy density of 33.3 Wh center dot kg(-1) at a power density of 2000 W center dot kg(-1) were recorded for the optimized electrode. Highlights Polyhedral ZnO was grown on cotton fabric using a hydrothermal process. The electrochemical performance was optimized by varying the zinc acetate concentration. The highest specific capacitance was 375 F center dot g(-1) at a current density of 5 A center dot g(-1). Under optimal conditions, the capacitance retention was 94\% at N = 5000 cycles. The energy density of the electrode was as high as 33.3 Wh center dot kg(-1).
}, keywords = {carbon nanotube, Cotton fabric, hydrothermal process, wearable supercapacitor, ZnO polyhedron}, issn = {0363-907X}, doi = {10.1002/er.7720}, author = {Samuel, Edmund and Joshi, Bhavana and Park, Chanwoo and Aldalbahi, Ali and El-Newehy, Mohamed and Lee, Hae-Seok and Yoon, Sam S.} } @article {48032, title = {Well-defined calcium compound catalyzes trimerization of arylisocyanates into 1,3,5-triarylisocyanurates}, journal = {ChemCatChem}, volume = {14}, year = {2022}, month = {JUN }, pages = {e202101788}, type = {Article}, abstract = {
We report the synthesis of a calcium complex (2) bearing a tetradentate monoanionic ligand with a diaminoethane core and phenolate and pyridine peripheral donors. Single crystal X-ray studies on 2 revealed that LiI was also co-crystallized, leading to a four-membered ring with four different elements. 2 was found to be an efficient catalyst for the cyclotrimerization of a variety of aromatic isocyanates under mild conditions.
}, keywords = {calcium, Cyclotrimerization, Isocyanurates, Tetradentate ligand}, issn = {1867-3880}, doi = {10.1002/cctc.202101788}, author = {Kumar, Rohit and Sharma, Vishal and Jain, Shailja and Sharma, Himanshu and Vanka, Kumar and Sen, Sakya S.} } @article {48196, title = {Well-defined hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst for superior water oxidation}, journal = {Sustainable Energy \& Fuels}, volume = {6}, year = {2022}, month = {DEC}, pages = {5491-5502}, type = {Article}, abstract = {
The development of a robust and efficient electrocatalyst for water oxidation is challenging due to the large overpotential requirement to transfer four electrons. Herein, a novel spinel-type hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst was synthesized through the facile solvothermal process and evaluated for the challenging and demanding oxygen evolution reaction (OER) in the water electrolysis process. The teddy bear sunflower-like NiCo2O4 supported on nickel foam (NF) delivers a current density of 50 mA cm(-2) at a small water oxidation overpotential (eta(50) = 319 mV) which is significantly lower than that of the corresponding spherical NiO/NF (eta(50) = 338 mV), and sea-urchin like Co3O4/NF (eta(50) = 357 mV). A large specific and electroactive surface area, as well as a high TOF value exhibited by the hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst, demonstrates the potential of NiCo2O4 to catalyze the water oxidation reaction efficiently. The impact of the near-Fermi-level d-orbital states in NiCo2O4 electrocatalyst for boosting OER activity was unveiled by the density functional theory calculation. The stable performance even after 16 h and high catalyst utilization of the hierarchical teddy bear sunflower-like NiCo2O4 through the OER indicates that the catalyst is highly suitable for the large-scale water oxidation process.
}, issn = {2398-4902}, doi = {10.1039/d2se01111e}, author = {Bodhankar, Pradnya M. M. and Dhawale, Dattatray S. S. and Giddey, Sarbjit and Kumar, Ravi and Sarawade, Pradip B. B.} } @article {48335, title = {2D layered nanomaterials as fillers in polymer composite electrolytes for lithium batteries}, journal = {Advanced Energy Materials}, volume = {13}, year = {2023}, month = {APR}, type = {Review}, abstract = {
Polymer composite electrolytes (PCEs), i.e., materials combining the disciplines of polymer chemistry, inorganic chemistry, and electrochemistry, have received tremendous attention within academia and industry for lithium-based battery applications. While PCEs often comprise 3D micro- or nanoparticles, this review thoroughly summarizes the prospects of 2D layered inorganic, organic, and hybrid nanomaterials as active (ion conductive) or passive (nonion conductive) fillers in PCEs. The synthetic inorganic nanofillers covered here include graphene oxide, boron nitride, transition metal chalcogenides, phosphorene, and MXenes. Furthermore, the use of naturally occurring 2D layered clay minerals, such as layered double hydroxides and silicates, in PCEs is also thoroughly detailed considering their impact on battery cell performance. Despite the dominance of 2D layered inorganic materials, their organic and hybrid counterparts, such as 2D covalent organic frameworks and 2D metal-organic frameworks are also identified as tuneable nanofillers for use in PCE. Hence, this review gives an overview of the plethora of options available for the selective development of both the 2D layered nanofillers and resulting PCEs, which can revolutionize the field of polymer-based solid-state electrolytes and their implementation in lithium and post-lithium batteries.
}, keywords = {2D materials, clay minerals, covalent organic frameworks, metal-organic frameworks, MXene, polymer composite electrolyte, solid-state batteries}, issn = {1614-6832}, doi = {10.1002/aenm.202203326}, author = {Vijayakumar, Vidyanand and Ghosh, Meena and Asokan, Kiran and Sukumaran, Santhosh Babu and Kurungot, Sreekumar and Mindemark, Jonas and Brandell, Daniel and Winter, Martin and Nair, Jijeesh Ravi} } @article {48827, title = {3D-printed polymer composite devices based on a ferroelectric chiral ammonium salt for high-performance piezoelectric energy harvesting}, journal = {Materials Horizons}, volume = {10}, year = {2023}, month = {JUL}, pages = {3153-3161}, type = {Article}, abstract = {
Three-dimensional printing (3DP) is an emerging technology to fabricate complex architectures, necessary to realize state-of-the-art flexible and wearable electronic devices. In this regard, top-performing devices containing organic ferro- and piezoelectric compounds are desired to circumvent significant shortcomings of conventional piezoceramics, e.g. toxicity and high-temperature device processibility. Herein, we report on a 3D-printed composite of a chiral ferroelectric organic salt {[Me3CCH(Me)NH3][BF4]} (1) with a biodegradable polycaprolactone (PCL) polymer that serves as a highly efficient piezoelectric nanogenerator (PENG). The ferroelectric property of 1 originates from its polar tetragonal space group P4(2), verified by P-E loop measurements. The ferroelectric domain characteristics of 1 were further probed by piezoresponse force microscopy (PFM), which gave characteristic {\textquoteleft}butterfly{\textquoteright} and hysteresis loops. The PFM amplitude vs. drive voltage measurements gave a relatively high magnitude of the converse piezoelectric coefficient for 1. PCL polymer composites with various weight percentages (wt\%) of 1 were prepared and subjected to piezoelectric energy harvesting tests, which gave a maximum open-circuit voltage of 36.2 V and a power density of 48.1 mu W cm(-2) for the 10 wt\% 1-PCL champion device. Furthermore, a gyroid-shaped 3D-printed 10 wt\% 1-PCL composite was fabricated to test its practical utility, which gave an excellent output voltage of 41 V and a power density of 56.8 mu W cm(-2). These studies promise the potential of simple organic compounds for building PENG devices using advanced manufacturing technologies.
}, issn = {2051-6347}, doi = {10.1039/d3mh00444a}, author = {Sahoo, Supriya and Kothavade, Premkumar Anil and Naphade, Dipti R. and Torris, Arun and Praveenkumar, Balu and Zareba, Jan K. and Anthopoulos, Thomas D. and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {48317, title = {Accelerated Rauhut-Currier dimerization enabled the synthesis of (+/-)-incarvilleatone and anticancer studies}, journal = {Beilstein Journal of Organic Chemistry}, volume = {19}, year = {2023}, month = {FEB}, pages = {204-211}, type = {Article}, abstract = {
The total synthesis of racemic incarvilleatone has been achieved by utilizing unexplored accelerated Rauhut-Currier (RC) dimeriza-tion. The other key steps of the synthesis are oxa-Michael and aldol reactions in a tandem sequence. Racemic incarvilleatone was separated by chiral HPLC and the configuration of each enantiomer was determined by single-crystal X-ray analysis. In addition, a one-pot synthesis of (+/-)-incarviditone has been achieved from rac-rengyolone by using KHMDS as a base. We have also assessed the anticancer activity of all the synthesized compounds in breast cancer cells nonetheless, they exhibited very limited growth suppression activity.
}, keywords = {dimerization, incarviditone, incarvilleatone, oxa-Michael, Rauhut-Currier}, issn = {1860-5397}, doi = {10.3762/bjoc.19.19}, author = {Kotammagari, Tharun K. and Misra, Sweta and Paul, Sayantan and Kunte, Sunita and Gonnade, Rajesh G. and Santra, Manas K. and Bhattacharya, Asish K.} } @article {48753, title = {Activation of the olefinic C-H bond of NHC and NHO by perimidine-based silicon and germanium compounds}, journal = {Organometallics}, volume = {42}, year = {2023}, month = {JUL}, pages = {1909-1917}, type = {Article}, abstract = {
In this manuscript, several backbonegermylene-functionalized zwitterioniccompounds were prepared conveniently from the corresponding N-heterocycliccarbenes or N-heterocyclic olefins in a single step through backboneC-H activation. Our initial motivation was to generate a silylenefrom C10H6(Me3SiN)(2)SiHCl(2) using ItBu [ItBu= (1,3-ditert-butyl)imidazol-2-ylidene], but instead, the reactionled to deprotonation from the imidazolium backbone of ItBu, forming the imidazolium salt with a silyl backbone at the C4position (3). We presumed that the reaction proceededthrough the generation of an ephemeral silylene. We subsequently preparedthe analogous germylene (4) and reacted it with IDipp[IDipp = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene], ItBu, and IDipp=CH2. Spectroscopic and crystallographicanalysis of these complexes revealed that, in all cases, there wasdeprotonation from the backbone and formation of zwitterionic products(5-7). When the hydrogen in the NHCbackbone was replaced with methyl groups such as IDipp(Me) (1,3-bis(2,6-diisopropylphenyl)-4,5-dimethylimidazol-2-ylidene),simple adduct formation occurred, exemplified by the isolation ofIDipp(Me)\& BULL;Ge(NSiMe3)(2)C10H6 (8).
}, issn = {0276-7333}, doi = {10.1021/acs.organomet.3c00167}, author = {Gour, Kritika and Pramanik, Debjit and Dash, Soumya Ranjan and Tothadi, Srinu and Vanka, Kumar and Sen, Sakya S.} } @article {48935, title = {Active site engineering and theoretical aspects of {\textquoteleft}{\textquoteleft}Superhydrophilic{\textquoteright}{\textquoteright} nanostructure array enabling efficient overall water electrolysis}, journal = {Small}, volume = {19}, year = {2023}, month = {DEC}, type = {Article}, abstract = {
The rational design of noble metal-free electrocatalysts holds great promise for cost-effective green hydrogen generation through water electrolysis. In this context, here, the development of a superhydrophilic bifunctional electrocatalyst that facilitates both oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) in alkaline conditions is demonstrated. This is achieved through the in situ growth of hierarchical NiMoO4@CoMoO4 center dot xH(2)O nanostructure on nickel foam (NF) via a two-step hydrothermal synthesis method. NiMoO4@CoMoO4 center dot xH(2)O/NF facilitates OER and HER at the overpotentials of 180 and 220 mV, respectively, at the current density of 10 mA cm(-2). The NiMoO4@CoMoO4 center dot xH(2)O/NF parallel to NiMoO4@CoMoO4 center dot xH(2)O/NF cell can be operated at a potential of 1.60 V compared to 1.63 V displayed by the system based on the Pt/C@NF parallel to RuO2@NF standard electrode pair configuration at 10 mA cm(-2) for overall water splitting. The density functional theory calculations for the OER process elucidate that the lowest Delta G of NiMoO4@CoMoO4 compared to both Ni and NiMoO4 is due to the presence of Co in the OER catalytic site and its synergistic interaction with NiMoO4. The preparative strategy and mechanistic understanding make the windows open for the large-scale production of the robust and less expensive electrode material for the overall water electrolysis.
}, keywords = {density functional theory (DFT) study, hydrogen evolution reaction (HER), Hydrothermal synthesis, oxygen evolution reaction (OER), superhydrophilic nanostructures, synergistic interaction, water electrolysis}, issn = {1613-6810}, doi = {10.1002/smll.202304143}, author = {Barik, Sidharth and Kharabe, Geeta Pandurang and Illathvalappil, Rajith and Singh, Chandrodai Pratap and Kanheerampockil, Fayis and Walko, Priyanka S. and Bhat, Suresh K. and Devi, R. Nandini and Vinod, C. P. and Krishnamurty, Sailaja and Kurungot, Sreekumar} } @article {49135, title = {Activity performance and kinetics for glycerol carbonylation with urea over Zn-Co mixed metal oxide catalyst}, journal = {Canadian Journal of Chemical Engineering }, volume = {101}, year = {2023}, month = {APR}, pages = {2075-2093}, type = {Article}, abstract = {
Efficient carbonylation of glycerol using urea with Zn-Co mixed metal oxide (MMO) catalyst has been achieved. Various methods of catalyst preparation were explored for glycerol carbonate (GC) synthesis. The optimized method of catalyst preparation was found to be co-precipitation (CP) with a Zn:Co ratio of 70:30, achieving 81\% glycerol conversion with 97\% GC selectivity. X-ray diffraction (XRD) studies revealed the formation of ZnO, Co-3 O-4, and spinel ZnCo2O4 phases. Thermal treatment given to the catalyst allows insertion of Zn cations into Co3O4 lattice forming ZnCo2O4 phase which was also evidenced in X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy. Herein, for the first time, reaction kinetics was studied to propose the rate equation, based on which a plausible reaction pathway is proposed involving two-site adsorption of glycerol (basic site) and urea (acidic site), which undergo carbonylation followed by cyclization into GC. A recycle study and hot filtration test have proven the reusability of the catalyst.
}, keywords = {Carbonylation, cyclic carbonate, Glycerol, kinetics, mixed metal oxide}, issn = {0008-4034}, doi = {10.1002/cjce.24587}, author = {Kondawar, Sharda E. and Kasar, Gaytri B. and Khatua, Angshuman S. and Rode, V, Chandrashekhar} } @article {49125, title = {Advances in the iron-catalyzed direct functionalizations of heterocycles}, journal = {Synlett}, volume = {34}, year = {2023}, month = {APR}, pages = {683-697}, type = {Article}, abstract = {
Direct functionalization of heterocycles is an advanced strategy for diversifying privileged and biorelevant heterocycle-containing molecules. Particularly, use of the most abundant transition metal, iron, as a catalyst makes this process highly cost-effective and sustainable. Recently, some progress has been realized towards the direct functionalization of heterocycles under iron catalysis. Herein, we present the developments in the C-H bond functionalizations and related reactions of various heterocycles by abundant iron salts. This Synpacts is categorized into different sections based on heterocycles being functionalized, and each section is discussed based on the type of reaction catalyzed by iron. 1 Introduction 2 Functionalization of Indoles 2.1 Alkylation 2.2 Alkenylation 2.3 Other Reactions 3 Oxindoles and isatins 3.1 C-C Bond Formation 3.2 C-Heteroatom Bond Formation 4 Pyridines and Furans 5 Functionalization of Azoles 6 Summary and Outlook
}, keywords = {Alkylation, azoles, C-H functionalization, heterocycles, indoles, iron, Mechanism}, issn = {0936-5214}, doi = {10.1055/a-1890-8503}, author = {Pradhan, Chandini and Punji, Benudhar} } @article {49128, title = {AIDrugApp: artificial intelligence-based Web-App for virtual screening of inhibitors against SARS-COV-2}, journal = {Journal of Experimental \& Thereotical Artificial Intelligence }, volume = {35}, year = {2023}, month = {APR}, pages = {395-443}, type = {Article}, abstract = {
Currently, there is no effective cure for SARS-COVID-19 diseases. The identification of novel therapeutic targets and drug-like compounds is required for the development of anti-COVID-19 drugs. Virtual screening is currently the most significant component for identifying drug-like molecules from large datasets for drug design and development. However, there are no effective easily available and user-friendly applications for virtual screening of drug leads against SARS-COV-2. Therefore, we have developed a user-friendly web-app named {\textquoteleft}AIDrugApp{\textquoteright} for the virtual screening of inhibitor molecules against SARS-CoV-2. AIDrugApp is a novel open-access, deep learning AI-based inhibitory activity prediction and data statistics visualisation platform. Users can predict the inhibitory activities (Active/Inactive) and pIC-50 values of new compounds against SARS-CoV-2 replicase polyprotein, 3CLpro and human angiotensin-converting enzymes. It is also useful for virtual screening of chemical features of molecules towards SARS-COVID-19 clinical trial bioactivities. This paper presents the development and architecture of AIDrugApp. We also present two case studies where large sets of molecules were screened using the {\textquoteleft}Bioactivity Prediction{\textquoteright} module of our app. Screened molecules were analysed further for validation by molecular docking and ADME analysis to identify the potential drug candidates.
}, keywords = {ADME, deep neural network, drug designing, machine learning, Molecular docking, SARS-CoV-2, virtual screening, Web application}, issn = {0952-813X}, doi = {10.1080/0952813X.2022.2058619}, author = {Karade, Divya and Karade, Vikas} } @article {48779, title = {Alloying with Mn enhances the activity and durability of the CoPt catalyst toward the methanol oxidation reaction}, journal = {ACS Applied Materials \& Interfaces}, volume = {15}, year = {2023}, month = {MAY}, pages = {26554-26562}, type = {Article}, abstract = {
To improve the catalytic performance and durability ofPt catalystsused for the methanol oxidation reaction (MOR) in direct methanolfuel cells (DMFCs), alloying of Pt with other transition metals suchas Ru, Co, Ni, and Fe is considered an effective approach. Despitethe significant progress made in the preparation of bimetallic alloysand their utilization for MOR, improving the activity and durabilityof the catalysts to make them commercially viable remains a stiffchallenge. In this work, trimetallic Pt100-x (MnCo)( x ) (16 \< x \< 41) catalysts were successfully synthesized via borohydridereduction followed by hydrothermal treatment at 150 \& DEG;C. The electrocatalyticperformance of the synthesized trimetallic Pt100-x (MnCo)( x ) (16 \< x \< 41) catalysts toward MOR was studied using cyclicvoltammetry and chronoamperometry. The results affirm that all Pt100-x (MnCo)( x ) (16 \< x \< 41) alloys have superior MOR activityand durability as compared to bimetallic PtCo alloys and commerciallyavailable Pt/C (comm. Pt/C) catalysts. Among all the compositionsstudied, the Pt60Mn1.7Co38.3/C catalystexhibited superior mass activity (1.3 and 1.9 times higher than thoseof Pt81Co19/C and comm. Pt/C, respectively)toward MOR. Furthermore, all the newly synthesized Pt100-x (MnCo)( x )/C (16 \< x \< 41) catalysts showed better CO tolerance when comparedwith comm. Pt/C. This improved performance of the Pt100-x (MnCo)( x )/C (16 \< x \< 41) catalyst can be attributed to the synergisticeffect of Co and Mn on the Pt lattice.
}, keywords = {CO tolerance, direct methanol fuel cells, electrocatalysis, methanol oxidation reaction(MOR), trimetallic alloy catalysts}, issn = {1944-8244}, doi = {10.1021/acsami.3c01140}, author = {Deshpande, Pooja and Prasad, Bhagavatula L. V.} } @article {48439, title = {Amino acid abundance and composition in cell culture medium affects trace metal tolerance and cholesterol synthesis}, journal = {Biotechnology Progress}, volume = {39}, year = {2023}, month = {JAN}, type = {Article}, abstract = {
Amino acid compositions of cell culture media are empirically designed to enhance cell growth and productivity and vary both across media formulations and over the course of culture due to imbalance in supply and consumption. The interconnected nature of the amino acid transporters and metabolism suggests that changes in amino acid composition can affect cell physiology. In this study, we explore the effect of a step change in amino acid composition from a DMEM: F12-based medium to a formulation varying in relative abundances of all amino acids, evaluated at two amino acid concentrations (lean LAA vs. rich HAA). Cell growth was inhibited in LAA but not HAA. In addition to the expected effects on expression of the cell cycle, amino acid response and mTOR pathway genes in LAA, we observed an unanticipated effect on zinc uptake and efflux genes. This was accompanied by a lower tolerance to zinc supplementation in LAA but not in the other formulations. Histidine was sufficient but not necessary to prevent such zinc toxicity. Additionally, an unanticipated downregulation of genes in the cholesterol synthesis pathway was observed in HAA, accompanied by an increase in cellular cholesterol content, which may depend on the relative abundances of glutamine and other amino acids. This study shows that changes in the amino acid composition without any evident effect on growth may have profound effects on metabolism. Such analyses can help rationalize the designing of medium and feed formulations for bioprocess applications beyond replenishment of consumed components.
}, keywords = {Amino acids, cell culture medium, CHO cells, Cholesterol, zinc}, issn = {8756-7938}, doi = {10.1002/btpr.3298}, author = {Rawat, Jyoti and Bhambri, Aksheev and Pandey, Ujjiti and Banerjee, Sanchita and Pillai, Beena and Gadgil, Mugdha} } @article {49001, title = {Antibacterial and anti-HIV metabolites from marine streptomyces albus MAB56 isolated from Andaman and Nicobar Islands, India}, journal = {Applied Biochemistry and Biotechnology}, volume = {195}, year = {2023}, month = {DEC}, pages = {7738-7754}, type = {Article}, abstract = {
Marine-derived actinobacteria have tremendous potential to produce novel metabolites with diverse biological activities. The Andaman coast of India has a lot of microbial diversity, but it is still a relatively unknown ecology for isolating novel actinobacteria with beneficial bioactive compounds. We have isolated 568 actinobacterial strains from mangrove rhizosphere sediments and sponge samples. Crude extracts from 75 distinct strains were produced by agar surface fermentation and extracted using ethyl acetate. In the disc diffusion method, 25 actinobacterial strains showed antimicrobial activity; notably, the strain MAB56 demonstrated promising broad-spectrum activity. Strain MAB56 was identified as Streptomyces albus by cultural, microscopic, and molecular methods. Conditions for bioactive metabolites from MAB56 were optimized and produced in a lab-scale fermenter. Three active metabolites (C1, C2, and C3) that showed promising broad-spectrum antimicrobial activity were isolated through HPLC-based purification. Based on the UV, FT-IR, NMR, and LC-MS analysis, the chemical nature of the active compounds was confirmed as 12-methyltetradecanoic acid (C1), palmitic acid (C2), and tridecanoic acid (C3) with molecular formulae C14H28O2, C16H32O2, and C13H26O2, respectively. Interestingly, palmitic acid (C2) also exhibited anti-HIV activity with an IC50 value of \< 1 mu g/ml. Our findings reveal that the actinobacteria from the Andaman marine ecosystems are promising for isolating anti-infective metabolites.
}, keywords = {actinobacteria, Andaman Islands, anti-HIV, Antibacterial, Bioactive metabolites}, issn = {0273-2289}, doi = {10.1007/s12010-023-04493-y}, author = {Manikkam, Radhakrishnan and Murthy, Sangeetha and Palaniappan, Sivasankar and Kaari, Manigundan and Sahu, Amit Kumar and Said, Madhukar and Ganesan, Vijayalakshmi and Kannan, Sivakumar and Ramasamy, Balagurunathan and Thirugnanasambandan, Somasundaram and Dastager, Syed G. and Hanna, Luke Elizabeth and Kumar, Vanaja} } @article {48993, title = {Antimalarial activity of anacardium occidentale leaf extracts against plasmodium falciparum transketolase (PfTK)}, journal = {Acta Parasitologica}, volume = {68}, year = {2023}, month = {DEC}, pages = {832-841}, type = {Article}, abstract = {
BackgroundAs per estimates by WHO in 2021 almost half of the world{\textquoteright}s population was at risk of malaria and \> 0.6 million deaths were attributed to malaria. Therefore, the present study was aimed to explore the antimalarial activity of extracts derived from the leaves of the plant Anacardium occidentale L., which has been used traditionally for the treatment of malaria. Different extracts of A.occidentale leaves were prepared and tested for their inhibitory activity against recombinant P. falciparum transketolase (rPfTK) enzyme, in vitro. Further, growth inhibitory activity against cultivated blood stage P. falciparum parasites (3D7 strain), was studied using SYBR Green fluorescence-based in vitro assays. Acute toxicity of the hydro alcoholic extracts of leaves of A. occidentale (HELA) at different concentrations was evaluated on mice and Zebra fish embryos. HELA showed 75.45 +/- 0.35\% inhibitory activity against the recombinant PfTk and 99.31 +/- 0.08\% growth inhibition against intra-erythrocytic stages of P. falciparum at the maximum concentration (50 mu g/ml) with IC50 of 4.17 +/- 0.22 mu g/ml. The toxicity test results showed that the heartbeat, somite formation, tail detachment and hatching of embryos were not affected when Zebra fish embryos were treated with 0.1 to 10 mu g/ml of the extract. However, at higher concentrations of the extract, at 48 h (1000 mu g/ml) and 96 h (100 mu g/ml and 1000 mu g/ml, respectively) there was no heartbeat in the fish embryos. In the acute oral toxicity tests performed on mice, the extract showed no toxicity up to 300 mg/kg body weight in mice.ConclusionThe hydro-alcoholic extract of leaves of A. occidentale L. showed potent antimalarial activity against blood stage P. falciparum. Based on the observed inhibitory activity on the transketolase enzyme of P. falciparum it is likely that this enzyme is the target for the development of bioactive molecules present in the plant extracts. The promising anti-malarial activity of purified compounds from leaves of A. occidentale needs to be further explored for development of new anti-malarial therapy.
}, keywords = {Anacardium occidentale L, Antimalarial activity, malaria, Plasmodium falciparum, Transketolase}, issn = {1230-2821}, doi = {10.1007/s11686-023-00718-6}, author = {Kaushik, Meenakshi and Hoti, Sugeerappa L. and Saxena, Jitendra Kumar and Hingamire, Tejashri and Shanmugam, Dhanasekaran and Joshi, Rajesh K. and Metgud, Sharada C. and Ungar, Banappa and Singh, Ishwar and Hegde, Harsha V.} } @article {48326, title = {Antiviral and ROS scavenging potential of Carica papaya Linn and Psidium guajava leaves extract against HIV-1 infection}, journal = {BMC Complementary Medicine and Therapies}, volume = {23}, year = {2023}, month = {MAR}, pages = {82}, type = {Article}, abstract = {
Antiretroviral therapy is the only treatment option for HIV-infected patients; however, it has certain drawbacks in terms of developing multiple toxic side effects. Thus, there is a continuous need to explore safe and efficacious anti-retroviral agents. Carica papaya Linn and Psidium guajava are known for their various biological activities. In this study, we characterized the bioactive fractions of methanolic leaves extract from both plants using the High-resolution electrospray ionization mass spectrometry (HR-ESI-MS) technique, followed by the investigation of their potential as anti-HIV-1 and antioxidant agents through in vitro mechanistic assays. The anti-HIV-1 activity was examined in TZM-bl cells through luciferase gene assay against two different clades of HIV-1 strains, whereas the intracellular ROS generation was analyzed by Fluorescence-Activated Cell Sorting. Additionally, the mechanisms of action of these phyto-extracts were determined through the Time-of-addition assay. The characterization of Carica papaya Linn and Psidium guajava leaves extract through HR-ESI-MS fragmentation showed high enrichment of various alkaloids, glycosides, lipids, phenolic compounds, terpenes, and fatty acids like bioactive constituents. Both the phyto-extracts were found to be less toxic and exhibited potent antiviral activity against HIV-1 strains. Furthermore, the phyto-extracts also showed a decreased intracellular ROS in HIV-1 infected cells due to their high antioxidant potential. Overall, our study suggests the anti-HIV-1 potential of Carica papaya Linn and Psidium guajava leaves extract due to the synergistic action of multiple bioactive constituents.
}, keywords = {anti-HIV-1 activity, Anti-retroviral, Bioactive constituents, Carica papaya Linn, Cytotoxicity, HR-ESI-MS, Psidium guajava, reactive oxygen species}, doi = {10.1186/s12906-023-03916-x}, author = {Jadaun, Pratiksha and Shah, Prachibahen and Harshithkumar, R. and Said, Madhukar S. and Bhoite, Shubhangi P. and Bokuri, Sowmya and Ravindran, Selvan and Mishra, Neetu and Mukherjee, Anupam} } @article {48810, title = {Aptamer tethered bio-responsive mesoporous silica nanoparticles for efficient targeted delivery of paclitaxel to treat ovarian cancer cells}, journal = {Journal of Pharmaceutical Sciences}, volume = {112}, year = {2023}, month = {MAY}, pages = {1450-1459}, type = {Article}, abstract = {
Ovarian cancer is the leading cause of cancer deaths in female patients. The current therapeutics in ovarian cancer are limited and inefficient in curing the disease. To tackle this, we have synthesized tetrasulfide deriv-ative of silica doped, biodegradable, glutathione-responsive targeted mesoporous silica nanoparticles modi-fied with heterobifunctional polyethylene glycol as a linker and mucin-1 aptamer for triggered paclitaxel delivery to the ovarian cancer cells. Degradable mesoporous silica nanoparticles were synthesized by a modi-fied sol-gel method with tetraethyl orthosilicate and Bis (triethoxysilylpropyl) tetrasulfide. The degradable mesoporous silica nanoparticles were characterized by dynamic light scattering, Fourier-transform infrared spectroscopy, Scanning electron microscopy and Transmission electron microscopy. The degradable mesopo-rous silica nanoparticles had good paclitaxel encapsulation efficiency and glutathione-responsive paclitaxel release ability. The glutathione utilization assay and visual destruction observed within 10 days in transmis-sion electron microscopy images confirmed the degradation of the mesoporous silica nanoparticles in the tumor cell environment. The targeted degradable mesoporous silica nanoparticles were efficiently taken up by ovarian cancer cell lines OVACAR-3 and PA-1. The cytotoxicity of bare mesoporous silica nanoparticles evaluated on NIH-3T3 cell line showed good biocompatibility (\>90\% cell viability). Significant toxicity on OVACAR-3 (IC50 25.66 nM) and PA-1 (IC50 42.93 nM) cell lines was observed when treated with paclitaxel-loaded targeted degradable mesoporous silica nanoparticles. Results of this study demonstrated that mucin-1 targeted, glutathione-responsive mesoporous silica nanoparticles loaded with paclitaxel had a significant antitumor effect on ovarian cancer cells. All these findings demonstrated that developed nano-formulation could be suitable for ovarian cancer treatment. \& COPY; 2023 American Pharmacists Association. Published by Elsevier Inc. All rights reserved.
}, keywords = {Degradable, GSH, Mesoporous silica nanoparticles, Mucin-1, Ovarian cancer, Paclitaxel, Stimuli-responsive}, issn = {0022-3549}, doi = {10.1016/j.xphs.2023.01.011}, author = {Salve, Rajesh and Kumar, Pramod and Chaudhari, Bhushan P. and Gajbhiye, Virendra} } @article {48766, title = {Atomically dispersed manganese on graphene nanosheets as biocompatible nanozyme for glutathione detection in liver tissue lysate using microfluidic paper-based analytical devices}, journal = {ACS Applied Materials \& Interfaces}, volume = {15}, year = {2023}, month = {OCT }, pages = {47902-47920}, type = {Article}, abstract = {
Recently, single atom catalysts (SACs) featuring M-N-x (M = metal) active sites on carbon support have drawn considerable attention due to their promising enzyme-like catalytic properties. However, typical synthesis methods of SACs often involve energy-intensive carbonization processes. Herein, we report a facile one-pot, low-temperature, wet impregnation method to fully utilize M-N-4 sites of manganese phthalocyanine (MnPc) by decorating molecular MnPc over the sheets of graphene nanoplatelets (GNP). The synthesized MnPc@GNP exhibits remarkable peroxidase-mimic catalytic activity toward the oxidation of chromogenic 3,3 {\textquoteleft},5,5({\textquoteright})-tetramethylbenzidine (TMB) substrate owing to the efficient utilization of atomically dispersed Mn and the high surface-to-volume ratio of the porous catalyst. A nanozyme-based colorimetric sensing probe is developed to detect important biomarker glutathione (GSH) within only 5 min in solution phase based on the ability of GSH to effectively inhibit the TMB oxidation. The high sensitivity and selectivity of the developed colorimetric assay enable us to quantitatively determine GSH concentration in different biological fluids. This work, for the first time, reports a rapid MnPc@GNP nanozyme-based colorimetric assay in the solid substrate by fabricating microfluidic paper-based analytical devices (mu PADs). GSH is successfully detected on the fabricated mu PADs coated with only 6.0 mu g of nanozyme containing 1.6 nmol of Mn in the linear range of 0.5-10 mu M with a limit of detection of 1.23 mu M. This work also demonstrates the quantitative detection of GSH in mice liver tissue lysate using mu PADs, which paves the way to develop mu PADs for point-of-care testing.
}, keywords = {colorimetricsensing, Glutathione, mu PADs, nanozyme, single atom catalyst, tissue lysate}, issn = {1944-8244}, doi = {10.1021/acsami.3c08762}, author = {Baruah, Diksha J. and Thakur, Ashutosh and Roy, Esha and Roy, Kallol and Basak, Sumanjita and Neog, Dipankar and Bora, Himangsu K. and Konwar, Rituraj and Chaturvedi, Vikash and Shelke, Manjusha V. and Das, Manash R.} } @article {48807, title = {Automated myocardial infarction and angina detection using second derivative of photoplethysmography}, journal = {Physical and Engineering Sciences in Medicine}, volume = {46}, year = {2023}, month = {SEP}, pages = {1259-1269}, type = {Article}, abstract = {
Photoplethysmography (PPG) based healthcare devices have gained enormous interest in the detection of cardiac abnormalities. Limited research has been implemented for myocardial infarction (MI) detection. Moreover, PPG-based detection of angina is still a research gap. PPG signals are not always informative. Therefore, this research work presents the use of PPG signals and their second derivative to evaluate myocardial infarction and angina using a novel set of morphological features. The obtained morphological features are fed onto the feed-forward artificial neural network for the identification of the type of MI and unstable angina (UA). The initial experiments have been carried out on non-ambulatory (public) subjects for feature extraction and later evaluated on ambulatory (self-generated) databases. The intended method attains accuracy, sensitivity, and specificity of 98\%, 97\%, 98\% on the public database and 94\%, 94\%, 94\% on the self-generated database. The result shows that the proposed set of features can detect MI and UA with significant accuracy.
}, keywords = {Artificial neural network, Myocardial infarction detection, PPG, SDPPG, Unstable angina detection}, issn = {2662-4729}, doi = {10.1007/s13246-023-01293-w}, author = {Neha, H. K. and Sardana, H. K. and Dahiya, N. and Dogra, N. and Kanawade, R. and Sharma, Y. P. and Kumar, S.} } @article {48704, title = {Baby step in assembling and integrating the components of an artificial photosynthesis device with forced heterojunctions towards improved efficiency}, journal = {Journal of Materials Chemistry A}, volume = {11}, year = {2023}, month = {JUL }, pages = {15168-15182}, type = {Article}, abstract = {
How to achieve unassisted, economical, scalable, and sustainable artificial photosynthesis for liquid fuels/products with improved solar-to-fuel efficiency (STFE) to address a carbon-neutral economy remains a big question. To a large degree, the extent of charge separation at heterojunction interfaces and charge utilization determine the STFE. Towards this, BiVO3 is assembled from ionic-precursors into TiO2 pores, and integrated structurally and electronically with TiO2 on calcination as BiVO4 quantum dots (BVQDs). BVQDs in TiO2 (BVT) pores lead to an all-inorganic system with a sub-quadrillion number of heterojunctions in a 1 cm(2) device (contains similar to 25 mu g of BiVO4 (similar to 2.5 wt\%) in the nanopores of similar to 975 mu g of TiO2 (similar to 97.5 wt\%)) and facilitate artificial photosynthesis. We demonstrate 31-38\% STFE with a photon to chemical conversion turn over frequency (ToF(P2C)) of 2.73 s(-1) with a 1 cm(2) wireless BiVO4-TiO2 artificial leaf (BVT-AL) device for HCHO and CH3OH. The sequential nature of CO2 reduction to HCHO and then to CH3OH is evident from the reaction results. (CO2)-C-13 isotopic labeling experiments confirm that the input CO2 is the source for product formation. A large increase in the photocurrent density and incident photon-to-current efficiency (IPCE) of BVT, over 100\% for the BiVO4 photoanode in visible light, demonstrates and supports efficient visible light absorption, charge separation and migration to the redox sites. A device has been demonstrated to show sustainable activity in direct sunlight, and addresses scalability from 1 to 9 cm(2). Assuming no change (50\% decrease) in the STFE, a 6.74 m(2) device is expected to convert 1 (0.5) kg h(-1) CO2 into C1-oxygenates in sunlight. DFT calculations carried out with anatase TiO2 (101) and BiVO4 (121) interfaces support many of the experimental findings, including electron flow from the latter to the former, and interaction of the oxygen of TiO2 with BiVO4 and vice versa at the interface towards forced heterojunctions.
}, issn = {2050-7488}, doi = {10.1039/d3ta01850d}, author = {Salgaonkar, Kranti N. and Bajpai, Himanshu and Mhamane, Nitin B. and Nalajala, Naresh and Chauhan, Inderjeet and Thakkar, Kavita and Joshi, Kavita and Gopinath, Chinnakonda S.} } @article {48804, title = {Bacopa monnieri reduces Tau aggregation and Tau-mediated toxicity in cells}, journal = {International Journal of Biological Macromolecules}, volume = {234}, year = {2023}, month = {APR}, pages = {123171}, type = {Article}, abstract = {
Alzheimer{\textquoteright}s disease is a neurodegenerative disease characterized by progressive memory loss and behavioral impairments. In the present study, the ethanolic extract of Bacopa monnieri was studied for its potency to inhibit Tau aggregation and rescuing of the viability of Tau-stressed cells. Bacopa monnieri was observed to inhibit the Tau aggregation in vitro. The cells exposed to Bacopa monnieri were also observed to have a low level of ROS and caspase-3 activity. The immunoblot and immunofluorescence analysis showed that Bacopa monnieri acts as an antioxidant and restored the Nrf2 levels in Neuro2a cells. Bacopa monnieri treatment to Neuro2a cells was observed to reduce the phospho-Tau load in formaldehyde-stressed cells. Furthermore, the treatment of Bacopa monnieri reduced the phosphorylation of GSK-3 beta in formaldehyde-stressed cells. Ran and NUP358 are the key proteins involved in nuclear transport. It was observed that formaldehyde treatment impaired the nuclear transport by missorting the NUP358 arrangement in Neuro2a cells. On the contrary, Bacopa monnieri treatment restored the NUP358 arrangement in cells. The overall results of the present study suggested that Bacopa monnieri could be considered a potent herb against Tau phosphorylation and Tau aggregation, which projects it as a promising formulation for Alzheimer{\textquoteright}s disease.
}, keywords = {Bacopa monnieri, GSK-3 beta, Nrf2, Nuclear transport, NUP358, Tau Aggregation, Tau phosphorylation}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2023.123171}, author = {Dubey, Tushar and Kushwaha, Preeti and Thulasiram, H. V. and Chandrashekar, Madhura and Chinnathambi, Subashchandrabose} } @article {48473, title = {Bacterial communities and diversity of western ghats soil: a study of a biodiversity hotspot}, journal = {Current Microbiology}, volume = {80}, year = {2023}, month = {APR}, pages = {108}, type = {Article}, abstract = {
The Western Ghats is one of India{\textquoteright}s mega-diversity hotspots and an ecologically and geologically important area for the diversity of endemic plants and animals. The present study provides insights into the aerobic bacterial diversity and composition of the soils of North Western Ghats located in Maharashtra state (NWGM), India. The samples for the culture-dependent study were collected from 6 different locations namely Malshej Ghat, Bhimashankar, Lonavala, Mulshi, Tail-Baila, and Mahabaleshwar. A total of 173 isolates were obtained from the different samples, which belonged to Proteobacteria (43\%), Firmicutes (36\%), and Actinobacteria (19\%). Sequences of 15 strains shared \<= 98.7\% similarity (a species cut-off) which represent potential novel species. Metagenomic analysis revealed the presence of Actinobacteria and Proteobacteria as the most dominant phyla at both MB and MG. However, both sites showed variation in the composition of rare phyla and other dominant phyla. This difference in bacterial community composition could be due to differences in altitude or other physicochemical properties. The functional prediction from the amplicon sequencing showed the abundance of carbohydrate, protein, and lipid metabolism which was corroborated by screening the isolated bacterial strains for the same. The present study has a unique take on microbial diversity and defines the importance of community assembly processes such as drift, dispersal, and selection. Such processes are relatively important in controlling community diversity, distribution, as well as succession. This study has shown that the microbial community of NWGM is a rich source of polysaccharide degrading bacteria having biotechnological potential.
}, issn = {0343-8651}, doi = {10.1007/s00284-023-03207-1}, author = {Ghare, Uma and Narvekar, Simran and Lodha, Tushar and Mallebhari, Rubiya and Dastager, Syed and Barvkar, Vitthal T. and Dhotre, Dhiraj and Karmalkar, Nitin R. and Pable, Anupama A.} } @article {48816, title = {BAHD-type acyltransferase concludes the biosynthetic pathway of non-bitter glycoalkaloids in ripe tomato fruit}, journal = {Nature Communications}, volume = {14}, year = {2023}, month = {JUL}, pages = {4540}, type = {Article}, abstract = {
During tomato fruit ripening, bitter and toxic steroidal glycoalkaloids (SGAs) are converted to nonbitter and less toxic forms, but proposed acylating enzyme in pathway remain unknown. Here, authors report BAHD-type acyltransferase that catalyze acylation step in biosynthesis of non-bitter SGAs in tomato. Tomato is the highest value fruit and vegetable crop worldwide, yet produces \& alpha;-tomatine, a renowned toxic and bitter-tasting anti-nutritional steroidal glycoalkaloid (SGA) involved in plant defense. A suite of modifications during tomato fruit maturation and ripening converts \& alpha;-tomatine to the non-bitter and less toxic Esculeoside A. This important metabolic shift prevents bitterness and toxicity in ripe tomato fruit. While the enzymes catalyzing glycosylation and hydroxylation reactions in the Esculeoside A pathway have been resolved, the proposed acetylating step remains, to date, elusive. Here, we discovered that GAME36 (GLYCOALKALOID METABOLISM36), a BAHD-type acyltransferase catalyzes SGA-acetylation in cultivated and wild tomatoes. This finding completes the elucidation of the core Esculeoside A biosynthetic pathway in ripe tomato, allowing reconstitution of Esculeoside A production in heterologous microbial and plant hosts. The involvement of GAME36 in bitter SGA detoxification pathway points to a key role in the evolution of sweet-tasting tomato as well as in the domestication and breeding of modern cultivated tomato fruit.
}, doi = {10.1038/s41467-023-40092-5}, author = {Sonawane, Prashant D. and Gharat, Sachin A. and Jozwiak, Adam and Barbole, Ranjit and Heinicke, Sarah and Almekias-Siegl, Efrat and Meir, Sagit and Rogachev, Ilana and O{\textquoteright}Connor, Sarah E. and Giri, Ashok P. and Aharoni, Asaph} } @article {48928, title = {Batch and continuous flow mechanochemical synthesis of organic compounds including APIs}, journal = {Reaction Chemistry and Engineering }, volume = {9}, year = {2023}, month = {DEC }, pages = {10-25}, type = {Review}, abstract = {
Mechanochemistry is becoming an enabling technology for the synthesis of organic and inorganic compounds as well as for the synthesis of polymers as it underlines sustainability in a significant manner. Continuous mechanochemical synthesis further adds value to the approach through consistency, smaller footprint, and better energy efficiency. This review gives an indepth view of the present status of this subject along with critical engineering aspects that one needs to measure and monitor as eventually synthesis needs to be transformed into a process. The examples covered herein include the synthesis of organic compounds, viz., APIs, agrochemical intermediates, catalysts, and polymers. In the end, we also discuss the safety aspects of mechanochemical synthesis and recommendations for exploring this field further. Mechanochemistry is becoming an enabling technology for the synthesis of organic and inorganic compounds as well as for the synthesis of polymers as it underlines sustainability in a significant manner.
}, keywords = {acids, Amides, Force, solvent}, issn = {2058-9883}, doi = {10.1039/d2re00521b}, author = {Atapalkar, Ranjit S. and Kulkarni, Amol A.} } @article {48465, title = {Benign strategy toward mesoporous carbon coated Sb nanoparticles: a high-performance Li-ion/Na-ion batteries anode}, journal = {Solid State Ionics}, volume = {396}, year = {2023}, month = {AUG}, pages = {116243}, type = {Article}, abstract = {
Antimony (Sb)-based anodes can offer excellent gravimetric capacity (-660 mAhg(1)) in lithium-ion/sodium-ion batteries (LIBs/SIBs) fabricated using carbonate-based electrolytes complexed with lithium/sodium salt. However, high first-cycle irreversible loss (35-40\%) and gradual capacity fade (25-30\%/cycle) originate from solid electrolyte interphase (SEI), and severe volumetric stress (-300\%) associated with alloyed phase(s) impede reallife applications. Herein, we devise a benign strategy to develop mesoporous carbon coating onto antimony nanoparticles (Sb@C) based core-shell architecture for LIBs/SIBs anode. In particular, -30-50 nm thick mesoporous carbon spheres (-1 +/- 0.5 mu m) were obtained from resorcinol-formaldehyde (RF)-based polycondensation reaction by sol-gel chemistry engulfing Sb nanoparticles by suitably controlling Cetyltrimethylammonium bromide (CTAB)-induced steric stabilization and pH modulation during synthesis. The core-shell Sb@C helps faster Li+/Na+-ion migration preventing the structural collapse of Sb during electrochemical cycling and thereby improving the capacity fade. Electrochemical results demonstrate Sb@C can deliver a specific capacity of -536 mAhg(-1) and - 291 mAhg(-1) at 0.1C current rate in LIBs and SIBs, respectively, up to 200 cycles. Electrochemical impedance spectroscopy (EIS) indicates lower charge transfer (Rct) and SEI resistance (RSEI) of Sb@C cycled electrode than the bare Sb-NPs was the probable reason for improved Li/Na-ion storage in Sb@C anode. A detailed galvanostatic intermittent titration technique (GITT) and internal resistance measurements during 1st and 2nd cycles shed light on distinguishably different Li-ion/Na-ion storage behavior. The bulk Li+/Na+-ion diffusion coefficients found diminishes at reaction voltages (0.9 V/0.6 V for lithiation and 0.6 V/0.4 V for sodiation) corresponding with alloyed phase(s) concurrent with a drop in internal resistance at the quasi-opencircuit voltage (QOCV) during 1st and 2nd discharge cycle. On the contrary, de-alloying phenomena from the fully lithiated/sodiated phase(s) display an entirely opposite trend. The Li+ diffusion coefficient reaches minima at -1.1 V with a sudden jump in the internal resistance at QOCV during 1st and 2nd charge cycle. However, Na+ diffusion coefficient gradually drops along with a steep increase in the internal resistance, indicating partial Naion trapping and irreversible capacity loss.
}, keywords = {anode, Antimony, lithium-ion batteries, mesoporous carbon, Sodium-ion batteries}, issn = {0167-2738}, doi = {10.1016/j.ssi.2023.116243}, author = {Dashairya, Love and Chaturvedi, Vikash and Kumar, Abhishek and Mohanta, Tandra Rani and Shelke, Manjusha and Saha, Partha} } @article {48685, title = {BF3.Et2O-catalyzed selective C-4 alkylation of isoquinolin1(2H)-ones employing p-quinone methides}, journal = {Chemistry-an Asian Journal}, volume = {18}, year = {2023}, month = {Sep}, type = {Article}, abstract = {
The direct C-4 alkylation of isoquinolin-1(2H)-one moiety is a challenging transformation in organic synthesis. Here we present a practical and efficient synthesis of C-4 alkylated isoquinolin-1(2H)-ones through conjugate addition of isoquinolin-1(2H)-ones to p-quinone methides for the first time. The process is facilitated by Lewis acid catalysis and this operationally straightforward, mild, metal-free and one-pot transformation provides a wide range of C-4 alkylated isoquinolin-1(2H)ones at ambient temperature in good to excellent yields.
}, issn = {1861-4728}, doi = {10.1002/asia.202300546}, author = {More, Devidas A. and Ghotekar, Ganesh S. and Muthukrishnan, M.} } @article {48709, title = {Bi(III)-catalyzed synthesis of substituted furans from hydroxy-oxetanyl ketones: application to unified total synthesis of shikonofurans J, D, E, and C}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {MAY}, pages = {7328-7346}, type = {Article}, abstract = {
We report an improved synthetic protocol for hydroxymethyl-derivedpolysubstituted furans employing Bi-(III)-catalyzed dehydrative cycloisomerizationof alpha-hydroxy oxetanyl ketones. This procedure provides rapidaccess (within 5 min) to highly substituted furans with exceptionalfunctional group diversity, excellent yields, generality, scalability,and operationally simple reaction conditions. Further, it demonstratedthe utility of this method in the first enantioselective total synthesisof furyl-hydroquinone-derived biologically potent natural productsshikonofurans J, D, E, and C in seven linear steps, starting fromreadily available building blocks of 2,5-dihydroxy acetophenone and3-oxetanone employing chiral-phosphoric acid (TRIP)-catalyzed asymmetricprenylation as a key step to induce the chirality.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c00549}, author = {Kataria, Priyanka and Sahoo, Shubhranshu Shekhar and Kontham, Ravindar} } @article {48743, title = {Bimetallic quantum dots (Cu-Pd, Ni-Pd) catalyzed reaction of bromo arenes with alkenes and aryl boronic acids}, journal = {Indian Journal of Chemistry}, volume = {62}, year = {2023}, month = {AUG}, pages = {843-848}, type = {Article}, abstract = {
Bimetallic quantum dots (Cu-Pd and Ni-Pd) are active ligand-free catalysts for the alkenylation and arylation of aryl bromides. The catalysts are easy to synthesize by benign green protocols and characterized by various techniques. The bimetallic QD catalysts synthesized thus are superior to Pd(OAc)2 or other Pd NP catalysis of alkenylation reactions of aryl bromides with similar E-selectivity. The reaction of aryl bromide with aryl boronic acid is facile with high yields.
}, keywords = {Aryl bromides, Bimetallic QDs catalysis, Cu-Pd, Mizoroki-Heck, Ni-Pd, Suzuki coupling}, issn = {0019-5103}, doi = {10.56042/ijc.v62i8.4769}, author = {Raut, Pallavi K. and Meroliya, Heena K. and Dumbre, Swapnil R. and Patil, Vaishali N. and Solanki, Bhanupratap S. and Waghmode, Shobha A. and Iyer, Suresh} } @article {48692, title = {Binder-free and flexible VOPO4/CNT film as cathode for aqueous rechargeable Zn-metal battery}, journal = {Advanced Sustainable Systems}, volume = {7}, year = {2023}, month = {SEP}, type = {Article}, abstract = {
Aqueous rechargeable Zn-metal batteries (AZMBs) are promising energy storage aids due to their inherent safety, low cost, and competent performance, with prospects in stationary and portable applications. In this regard, one of the critical requirements is developing electrodes that can adapt to mechanical deformation without compromising the charge storage performance. The current work demonstrates the development of a binder-free and mechanically flexible composite cathode film (VP/fCNT-F, where {\textquoteleft}F{\textquoteright} stands for the film) based on VOPO4 (VP) and functionalized carbon nanotubes (fCNTs). The VP/fCNT-F film processing involves simple vacuum filtration of the composite obtained from the in-situ reaction of the fCNTs and the VP precursor in an aqueous medium. The functionalization of carbon nanotube (CNT) is important for the homogenous dispersion of VP and fCNT. The VP/fCNT-F electrode is used as a monolithic electrode in AZMB cells in combination with both liquid and quasi-solid-state gel polymer electrolytes. Besides, the utility of the VP/fCNT-F electrode in a flexible battery configuration is also demonstrated. Interestingly, in both the coin-cell and flexible configurations, the VP/fCNT-F electrode delivers a comparable discharge capacity of 90 and 78 mAh g(-1), respectively (at 0.1 A g(-1)), validating the advantage of the binder-free VP/fCNT-F electrode for AZMBs.
}, keywords = {binder-free cathodes, flexible batteries, layered VOPO4, polymer gel electrolytes, self-standing flexible films}, issn = {2366-7486}, doi = {10.1002/adsu.202300141}, author = {Dilwale, Swati and Babu, Athira and Puthiyaveetil, Priyanka Pandinhare and Kurian, Maria and Ghosh, Meena and Kurungot, Sreekumar} } @article {48749, title = {Biosynthesis of gold nanoparticles by Penicillium rubens and catalytic detoxification of ochratoxin A and organic dye pollutants}, journal = {International Microbiology}, volume = {26}, year = {2023}, month = {NOV}, pages = {765-780}, type = {Article}, abstract = {
The environmental pollution caused by chemical dyes is a growing concern nowadays. Limitations of traditional methods opened the route for nanotechnology; owing to the versatile properties of nanomaterials, gold nanoparticles (AuNPs) became a potential strategy for different applications. In the present study, biosynthesis of gold nanoparticles (BioAuNPs) was carried out by reacting chloroauric acid (HAuCl4) with cell-free filtrate of Penicillium rubens sp. nov. NCIM 1937. The AuNPs were then characterized by UV-visible spectroscopy, HR-TEM, FTIR, and DLS analysis to further examine their efficacious biosynthesis and morphological properties including size, shape, and stability. The biogenic AuNPs are polydisperse in nature, with a mean size of 14.92 +/- 5 nm. These AuNPs exhibited promising antimicrobial activity against Escherichia coli NCIM-2065, Bacillus subtilis NCIM-2010, and Penicillium verrucosum MTCC 4935. In vitro quantitative HPLC results revealed that BioAuNPs significantly inhibited the biosynthesis of ochratoxin A (OTA). Microbial fuel cells (MFCs) are intriguing for power generation and wastewater treatment since they can directly transform chemical energy stored in organic matter to electricity by extracellular electron transfer (EET) via membrane proteins. AuNPs also showed excellent potential for dye degradation of organic pollutants, viz., methylene blue (MB), phenol red (PR), bromothymol blue (BTB), Congo red (CR), and 4-nitrophenol (4-NP). All dye removal efficiencies were estimated and fitted to pseudo-first-order processes using kinetic rate constants (Ka).The present study reveals a simple, original, and eco-friendly method for the synthesis of multifunctional biogenic AuNPs that could be effective in OTA detoxification in food products and organic pollutant removal during wastewater treatment for a sustainable environment.
}, keywords = {Catalytic organic dye degradation, gold nanoparticles, Ochratoxin A, Penicillium rubens, Penicillium verrucosum}, issn = {1139-6709}, doi = {10.1007/s10123-023-00341-5}, author = {Bhandari, Yogesh and Varma, Sanjana and Sawant, Amol and Beemagani, Sreelatha and Jaiswal, Neha and Chaudhari, Bhushan P. and Vamkudoth, Koteswara Rao} } @article {48440, title = {Bismuth(III)-catalyzed cascade condensation of alkynyl alcohols with terminal alkynes: a facile construction of propargyl cyclic ethers}, journal = {Tetrahedron Letters}, volume = {114}, year = {2023}, month = {JAN }, pages = {154274}, type = {Article}, abstract = {
Herein, we report a Bi(OTf)3-catalyzed cascade condensation between alkynols (particularly pent-4-yn-1ols and hex-5-yn-1-ols) and terminal alkynes (aryl alkynes) to facile access to diverse propargyl cyclic ethers (2 alkynyl tetrahydrofurans and 2 alkynyl tetrahydropyrans). This simple and efficient cascade transformation proceeds through initial intramolecular hydroalkoxylation of alkynols to give corresponding cyclic enol ethers (via exo-dig or endo-dig mode of ring-closure) followed by hydroalkynylation. Costeffective, naturally abundant, green Lewis acid catalysis, ambient reaction conditions, short reaction times, good substrate scope, and high yields are salient features of this strategy.(c) 2022 Elsevier Ltd. All rights reserved.
}, keywords = {Alkynyl alcohols, Bismuth catalysis, Cascade condensation, Propargyl cyclic ethers, Terminal alkynes}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2022.154274}, author = {Pratapure, Madhukar S. and Kontham, Ravindar} } @article {48441, title = {Cadmium (II) Organo Tetrakis-[1,2]-Oxathiin (CdOTOT): a 3D sandwiched frameworks with efficient hydrogen production}, journal = {Journal of Catalysis}, volume = {417}, year = {2023}, month = {JAN}, pages = {341-350}, type = {Article}, abstract = {
For over a decade, the structure, reactivity, and mechanism of graphene based photocatalysts have been of great interest for hydrogen (H2) generation. Several studies have been done on the edge side groups (ESGs) of graphene oxide (GO), but the basal plane groups (BPGs)-epoxide and hydroxide have acquired far less attention. This is because the GO layers are strongly held with van der waals forces as well as H-bonding which prevents the foreign body from entering inside the layers. To overcome these problems, this study presents the successful synthesis and application of four coordinated sandwiched (FCS) Cadmium (II) Organo Tetrakis-[1,2]-Oxathiin (CdOTOT) in rGO-CdS composite (A 3D sandwiched frame-work). Additionally, experimental outcomes have been further supported using density functional theory (DFT), which suggest that CdOTOT is more stable than its precursors as well as thermodynamically favourable. The CdOTOT shows high H2 production activity -67.5 mmol/g or 13.5 mmol/g/h in presence of 1 \% Pt cocatalyst and sacrificial reagents (Na2S/Na2SO3). It is around 33 times higher than pristine CdS, and stable up to around 15 hrs without adding any cocatalyst. This mesmerising outcome is over with reported various CdS-rGO based photocatalysts. The higher activity was further explained through the proposed mechanism and observed low electronic work function of CdOTOT. This innovative and extend-able (with other metals) approach provides a revolutionary impact on numerous cutting-edge research applications like photocatalysis, water splitting, solar cell, etc.(c) 2022 Elsevier Inc. All rights reserved.
}, keywords = {2], 3D sandwiched frameworks, Basal Plane Groups (BPGs), Cadmium (II) Organo Tetrakis-[1, hydrogen production, Oxathiin (CdOTOT)}, issn = {0021-9517}, doi = {10.1016/j.jcat.2022.12.019}, author = {Kumar, Praveen and Bajpai, Himanshu and Luwang, Meitram Niraj} } @article {48490, title = {Can Li atoms anchored on boron- and nitrogen-doped graphene catalyze dinitrogen molecules to ammonia? a DFT study}, journal = {ChemPhysChem}, volume = {24}, year = {2023}, month = {JUN}, type = {Article}, abstract = {
The most successful electrochemical conversion of ammonia from dinitrogen molecule reported to date is through a Li mediated mechanism. In the framework of the above fact and that Li anchored graphene is an experimentally feasible system, the present work is a computational experiment to identify the potential of Li anchored graphene as a catalyst for N-2 to NH3 conversion as a function of (a) minimum number of Li atoms needed for anchoring on graphene sheets and (b) the role of chemical modification of graphene surfaces. The studies bring forth an understanding that Li anchored graphene sheets are potential catalysts for ammonia conversion with preferential adsorption of N-2 through end-on configuration on Li atoms anchored on doped and pristine graphene surfaces. This mode of adsorption being characteristic of Nitrogen Reduction Reaction (NRR) through enzymatic pathway, examination of the same followed by analysis of electronic properties demonstrates that tri-Li atoms (Tri Atom Catalysts, TACs) are more efficient as catalysts for NRR as compared to two Li atoms (Di Atom Catalysts, DACs). Either way, the rate determining step was found to be *NH2 -\>*NH3 step (mixed pathway) with Delta G(max)=1.02 eV and *NH2-*NH3 -\>*NH2 step (enzymatic pathway) with Delta G(max)=1.11 eV for 1B doped TAC and DAC on graphene sheet, respectively. Consequently, this work identifies the viability of Li anchored graphene based 2-D sheets as hetero-atom catalyst for NRR.
}, keywords = {computational chemistry, Graphene Sheet, heterogeneous catalysis, Li Nanoparticles, Nitrogen Reduction Reaction}, issn = {1439-4235}, doi = {10.1002/cphc.202200750}, author = {Verma, Tushar Singh and Samal, Pragnya Paramita and Selvaraj, Kaliaperumal and Krishnamurty, Sailaja} } @article {48721, title = {Can metal cations electrocatalyze sulfur redox reaction and suppress polysulfide shuttle?}, journal = {Batteries \& Supercaps}, volume = {6}, year = {2023}, month = {SEP}, type = {Article}, abstract = {
In lithium-sulfur (Li-S) batteries, sulfur undergoes various changes. It switches between cyclic structure and linear structure. The charge on the sulfur varies between a neutral state and a negative charge-bearing state. Due to these changes, the sulfur/polysulfide dissolves in the battery electrolyte. Furthermore, the kinetics of the sulfur redox reaction is sluggish. Therefore, a material that can suppress sulfur/polysulfide dissolution and electrocatalyze sulfur redox reaction is needed. We hypothesize that the polysulfide dissolution can be suppressed if the host exhibits polyvalent electrostatic attraction. Polysulfide is a negative charge-bearing molecule; hence the host must comprise multiple positive charges. Nickel cations with other heteroatoms have been explored as a host in Li-S batteries. The heteroatoms impart additional interactions. The easier way to circumvent the effect of heteroatoms is the addition of metal salts. However, metal salts can either exhibit monovalent or divalent attraction with polysulfides. Those interactions are weak and we must have polyvalent interaction. Towards this objective, we have designed and synthesized a material that comprises multiple divalent cations that is also devoid of heteroatoms. The Li-S batteries fabricated using the metal cation immobilized graphene showed a maximum specific capacity of 1022 mAh/g at 0.1 C rate. Among the metal cations, nickel cations showed better performance than cobalt cations. Thus, we demonstrate that metal cations immobilized on Graphene can efficiently electrocatalyze the sluggish sulfur redox reaction and suppress the polysulfide dissolution.
}, keywords = {electrocatalysis, graphene, lithium-sulfur batteries, metal cations, polysulfides}, doi = {10.1002/batt.202300136}, author = {Kumar, Subramani and Swain, Gitanjali and Krishnamoorthy, Kothandam} } @article {48922, title = {Carbamate-Protected (BOC and O-NB) 2-Aminopyrimidinedione-based janus G-C nucleobase motifs as building blocks for supramolecular assembly and smart polymers}, journal = {Journal of organic chemistry }, volume = {88}, year = {2023}, month = {OCT }, pages = {14953-14959}, type = {Article}, abstract = {
In this paper, we report {\textquoteleft}{\textquoteleft}carbamate protected{\textquoteright}{\textquoteright} 2-aminopyrimidinedione-based Janus G-C nucleobases (2-APD Janus G-C nucleobases) featuring polymerizable groups and self-complementary triple H-bonding motifs DDA and AAD as building blocks for developing smart polymers and self-healing materials. The carbamate-masked H-bonding motif, cleavable under acidic (BOC group) or photocleavable (O-nitrobenzyl group) conditions, would facilitate the synthesis of smart polymers by alleviating aggregation during polymerization which in turn would exclude self-assembly-assisted solubility issues. Ready accessibility in excellent yields coupled with the possibility for facile introduction of polymerizable groups would make these building blocks excellent candidates for diverse polymerization applications.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c01318}, author = {Singh, Dharmendra and Lakshmi, Durga and Meena, Chhuttan L. and Krishna, Gamidi Rama and Sanjayan, Gangadhar J.} } @article {48794, title = {Carbohydrate recognition using metal-ligand assemblies}, journal = {Organic \& Biomolecular Chemistry}, volume = {21}, year = {2023}, month = {JUL }, pages = {5492-5505}, type = {Review}, abstract = {
Carbohydrate-binding proteins, known as lectins, play a wide range of vital roles in cellular and pathological processes. Mimicking lectins to achieve specific molecular recognition of carbohydrates in organic and aqueous media using artificial receptors is challenging due to the synthetic hurdles of receptors and structural similarities between sugars. Carbohydrate recognition using non-covalent interactions remains a vast topic. This review summarises the recognition of carbohydrates using metal-ligand assemblies, including metallosupramolecules, macrocycles, and cages. It also highlights the challenges and future directions in the field.
}, issn = {1477-0520}, doi = {10.1039/d3ob00649b}, author = {Ahamed, Rafiq and Venkatesh, Jayashree and Srithar, Rakshantha and Gaikwad, Sudhakar and Pramanik, Susnata} } @article {48336, title = {Carbon black and chitin nanofibers for green tyres: preparation and property evaluation}, journal = {Carbohydrate Polymers}, volume = {310}, year = {2023}, month = {JUN}, pages = {120700}, type = {Article}, abstract = {
This research highlights the synergistic use of carbon black (CB) and chitin nanofibers (CHNFs) for developing green tyres for the first time. The CHNFs (12-30 nm) were prepared from chitin powder with the help of steam explosion and mild oxalic acid hydrolysis. The CHNFs were uniformly dispersed in natural rubber (NR) latex, dried, and mixed with CB in a two-roll mill to form NR/CB/CHNF composites. The NR/CB/CHNF composite at 1 phr CHNF loading exhibited tensile and tear strengths that were about 47 and 160 \% greater than the NR-Neat, respectively. The dynamic mechanical analysis showed that the loss tangent (tan delta) at 60 degrees C was 50 \% lower for the NR/CB/CHNF 1.0 composite than for the NR/CB50 composite. The study succeeded in developing a new green tyre tread formulation that would be helpful for attaining sustainability and a circular economy.
}, keywords = {carbon black, Chitin nanofibers, Green Tyre, natural rubber latex}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2023.120700}, author = {Mathew, Mariya and Dominic, C. D. Midhun and Neenu, K. V. and Begum, P. M. Sabura and Dileep, P. and Kumar, T. G. Ajith and Sabu, Akshay Alax and Nagane, Dhiraj and Parameswaranpillai, Jyotishkumar and Badawi, Michael} } @article {48330, title = {Carbon encapsulated NiCo2S4 nanoparticles with enhanced surface mediated charge storage for superior ultracapacitor electrodes}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {APR}, type = {Article}, abstract = {
Three different compositions of NiCo2S4 (NCS) materials were prepared using three solvents, named NCS HTDI (hydrothermal in DI water), NCS STEG (solvothermal in ethylene glycol), and a novel carbon-encapsulated NCS STFA (solvothermal in formamide). The structural and morphological properties of the prepared NCS HTDI, NCS STEG, and NCS HTDI materials were analyzed using various physical characterization techniques. As prepared, NCS materials were tested as an electrode for supercapacitor (SC) application using a 3-electrode system in a basic electrolyte (3 M KOH). NCS HTDI exhibits a specific capacitance of 2536 F g(-1), NCS STEG shows 1355 F g(-1), and NCS STFA shows 1178 F g(-1) at an input current density of 1 A g(-1). The SBN-PSC material is utilized as a counter electrode in the NCS STFA || SBN-PSC-based asymmetric SC device. The device exhibits exceptionally superior electrochemical performance with a specific capacitance of 172 F g(-1) at 10 A g(-1) input current density and 97\% capacity retention after 5000 cycles in a voltage window of 1.6 V. The results confirm the superiority of NCS STFA||SBN-PSC deviceas an excellent high-energy and high-power SC.
}, keywords = {Asymmetric supercapacitor device, NiCo2S4, pseudocapacitor, Surface charge storage}, issn = {1861-4728}, doi = {10.1002/asia.202300121}, author = {Chaturvedi, Vikash and Pawar, Meenakshi and Thripuranthaka, M. and Shivade, Rajkiran and Shelke, Manjusha V. V.} } @article {48678, title = {Catalyst-assisted selective vinylation and methylallylation of a quaternary carbon center using tert-butyl acetate}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {JUL}, pages = {9686-9703}, type = {Article}, abstract = {
The In-(OTf)(3)-catalyzed \& alpha;-vinylationof varioushydroxy-functionalized quaternary carbon centers using in situ generatedisobutylene from tert-butyl acetate is presentedas a novel synthetic methodology. Moreover, tert-butylacetate is a nonflammable feed stock and is a readily available sourcefor the in situ production of vinyl substituents, as demonstratedby the vinylation reaction with quaternary hydroxy/methoxy compounds.Moreover, an excellent selectivity for methylallylation over vinylationwas obtained with Ni-(OTf)(2) as a catalyst. In the case ofperoxyoxindole, methylallyl-functionalized 1,4-benzoxazin-3-one derivativeswere formed through the sequential rearrangement of peroxyoxindolefollowed by the nucleophilic attack by isobutylene. The detailed mechanismfor this reaction and rationalization for the selectivity are providedusing kinetics and density functional theory studies.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.2c03072}, author = {Mohanta, Nirmala and Samal, Pragnya Paramita and Pandey, Akanksha M. and Mondal, Shankhajit and Krishnamurty, Sailaja and Gnanaprakasam, Boopathy} } @article {49142, title = {Cellulase hyper-producing fungus penicillium janthinellum NCIM 1366 elaborates a wider array of proteins involved in transport and secretion, potentially enabling a diverse substrate range}, journal = {Bioenergy Research }, volume = {16}, year = {2023}, month = {MAR}, pages = {61-73}, type = {Article}, abstract = {
The efficient breakdown of lignocellulose requires the concerted activity of multiple enzymes. Previous studies on Penicillium janthinellum NCIM 1366 (PJ-1366) have revealed a more versatile repertoire of cellulases as compared to the hypercellulolytic strain Trichoderma reesei RUT-C30. Since a robust transport and secretion network is necessary to achieve proficient enzyme production, the transporters and extracellular proteins of PJ-1366 identified from its genome data were compared with those of Penicillium rolfsii (the phylogenetically closest species) and T. reesei RUT-C30 (the industrial work horse for cellulase production). Transmembrane proteins formed 20.4\%, 21.0\% and 18.2\%, respectively of the proteome of PJ-1366, P. rolfsii and T. reesei RUT-C30, and 292 of them were mapped as transporters in PJ-1366. Major facilitator superfamily transporters (264) and sugar transporters (167) are abundant in PJ-1366, which probably aid in the uptake of oligosaccharide inducers of cellulase. The number of extracellular proteins (1007) in PJ-1366 is the highest reported for a Penicillium species. Also, PJ-1366 encoded 1.5 x more proteins involved in carbohydrate metabolism than the other fungi, and its secreted CAZymes belonged to much more diverse families (73), potentially enabling the fungus to act on heterogenous substrates. Structural differences in some untranslated protein response (UPR) effectors like Pdi and Clx detected in PJ-1366 may facilitate unique modes of cellulase regulation.
}, keywords = {Cellulase, Pathway, Penicillium, regulation, Secretion, Transport}, issn = {1939-1234}, doi = {10.1007/s12155-022-10407-3}, author = {Christopher, Meera and Sreeja-Raju, Athiraraj and Kooloth-Valappil, Prajeesh and Gokhale, Digambar Vitthal and Sukumaran, Rajeev K.} } @article {48996, title = {Cerebrospinal fluid protein profiles in alzheimer{\textquoteright}s dementia patients: a bioinformatic approach}, journal = {Annals of Indian Academy of Neurology }, volume = {26}, year = {2023}, type = {Letter}, issn = {0972-2327}, doi = {10.4103/aian.aian_206_23}, author = {Misra, Anamika and Chakrabarti, Sankha S. and Gambhir, Indrajeet S. and Baghel, Meghraj S. and Patil, Yugendra R.} } @article {48726, title = {C-H functionalization of pyridines}, journal = {Organic \& Biomolecular Chemistry}, volume = {21}, year = {2023}, month = {JUL}, pages = {5671-5690}, type = {Review}, abstract = {
Pyridine and its reduced form (piperidine) are the most common nitrogen heterocycles in FDA-approved drugs. Additionally, their presence in alkaloids, ligands for transition metals, catalysts, and organic materials with various properties makes them among the most important structural cores. Despite its importance, direct and selective functionalization of pyridine remains scarce due to its electron-poor nature and nitrogen coordination power. Instead, functionalized pyridine rings were primarily constructed from suitably substituted acyclic precursors. The focus on sustainable chemistry with minimum waste generation encourages chemists to develop direct C-H functionalization. This review summarizes different approaches to tackle the reactivity and regio- and stereoselectivity aspects for direct pyridine C-H functionalization.
}, issn = {1477-0520}, doi = {10.1039/d3ob00799e}, author = {Maity, Susmita and Bera, Asish and Bhattacharjya, Ayantika and Maity, Pradip} } @article {48318, title = {Challenges and emerging strategies for next generation liposomal based drug delivery: an account of the breast cancer conundrum}, journal = {Chemistry and Physics of Lipids}, volume = {250}, year = {2023}, month = {JAN}, pages = {105258}, type = {Article}, abstract = {
The global cancer burden is witnessing an upsurge with breast cancer surpassing other cancers worldwide. Furthermore, an escalation in the breast cancer caseload is also expected in the coming years. The conventional therapeutic regimens practiced routinely are associated with many drawbacks to which nanotechnological in-terventions offer a great advantage. But how eminent could liposomes and their advantages be in superseding these existing therapeutic modalities? A solution is reflected in this review that draws attention to a decade-long journey embarked upon by researchers in this wake. This text is a comprehensive discussion of liposomes, the front runners of the drug delivery systems, and their active and passive targeting approaches for breast cancer management. Active targeting has been studied over the decade by many receptors overexpressed on the breast cancer cells and passive targeting with many drug combinations. The results converge on the fact that the actively targeted formulations exhibit a superior efficacy over their non-targeted counterparts and the all lipo-somal formulations are efficacious over the free drugs. This undoubtedly underlines the dominion of liposomal formulations over conventional chemotherapy. These investigations have led to the development of different liposomal formulations with active and passive targeting capacities that could be explored in depth. Acknowl-edging and getting a deeper insight into the liposomal evolution through time also unveiled many imperfections and unchartered territories that can be explored to deliver dexterous liposomal formulations against breast cancer and more in the clinical trial pipeline.
}, keywords = {Breast cancer, Liposomal metamorphosis, Receptor-ligand dynamics, Targeted Drug Delivery}, issn = {0009-3084}, doi = {10.1016/j.chemphyslip.2022.105258}, author = {Moudgil, Aliesha and Salve, Rajesh and Gajbhiye, Virendra and Chaudhari, Bhushan P.} } @article {49141, title = {Challenges and opportunities for production of C5 sugar fatty acid esters (SFAEs) from renewable resources}, journal = {Industrial Crops and Products}, volume = {193}, year = {2023}, month = {MAR}, pages = {116170}, type = {Article}, abstract = {
Sugar fatty acid esters represent a billion-dollar market with huge global demand. Although glucose and sucrose-based surfactants have prevailed in the chemical industry for decades, C-5-based esters are relatively unknown and have recently started to gain attention owing to their multifunctional properties. These molecules can be derived from cheap and inexpensive biomass/renewable resources and present promising potential with diverse applications as additives in various nutraceutical, pharmaceutical, and cosmeceutical formulations. However, large-scale production of C-5 sugar esters is limited, with one or two commercial plants operating worldwide. This review highlights the major challenges and prospects of biotechnological production of the C-5 sugar esters, considering the possible advancements over existing technology with various aspects of industrial bioprocessing and product recovery.
}, keywords = {Bioprocess, C-5-fatty acid esters, Lipase, solvent, xylitol}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2022.116170}, author = {Tracy, Preetanshika and Dasgupta, Diptarka and More, Snehal} } @article {48321, title = {Charge trapped CdS quantum dot embedded polymer matrix for a high speed and low power memristor}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {FEB }, pages = {3737-3744}, type = {Article}, abstract = {
The data storage requirement in the digital world is increasing day by day with the advancement of the internet of things. In this respect, nonvolatile resistive random-access memory is an option that provides high density and low power data storage capabilities. In this work, zero-dimensional colloidal CdS quantum dots and a polymer composite at an appropriate ratio were used to fabricate a memristive device. Comparison with a pristine CdS quantum dot-based device reveals that a surrounding matrix around the quantum dots is needed for observing memristive behavior. The quantum dots embedded in the polymer matrix device showed extremely stable electrical switching behavior that can be operated for more than 300 cycles and 60 000 seconds. Moreover, the device needs extremely low power to operate at a very high speed. The smooth surface morphology dictates a charge trapping mechanism for the switching phenomenon; however, an interplay between different charge transport mechanisms leads to the fast switching and high on-off ratio of the device.
}, issn = {1463-9076}, doi = {10.1039/d2cp05014e}, author = {Betal, Atanu and Bera, Jayanta and Sharma, Ashish and Rath, Arup K. K. and Sahu, Satyajit} } @article {48818, title = {Chemical bridge-mediated heterojunction electron transport layers enable efficient and stable perovskite solar cells}, journal = {ACS Applied Materials and Interfaces}, volume = {15}, year = {2023}, month = {JUN}, pages = {29597-29608}, type = {Article}, abstract = {
Perovskite solar cells (PSCs) emerged as potential photovoltaicenergy-generating devices developing in recent years because of theirexcellent photovoltaic properties and ease of processing. However,PSCs are still reporting efficiencies much lower than their theoreticallimits owing to various losses caused by the charge transport layerand the perovskite. In this regard, herein, an interface engineeringstrategy using functional molecules and chemical bridges was appliedto reduce the loss of the heterojunction electron transport layer.As a functional interface layer, ethylenediaminetetraacetic acid (EDTA)was introduced between PCBM and the ZnO layer, and as a result, EDTAsimultaneously formed chemical bonds with PCBM and ZnO to serve asa chemical bridge connecting the two. DFT and chemical analyses revealedthat EDTA can act as a chemical bridge between PCBM and ZnO, passivatedefect sites, and improve charge transfer. Optoelectrical analysisproved that EDTA chemical bridge-mediated charge transfer (CBM-CT)provides more efficient interfacial charge transport by reducing trap-assistedrecombination losses at ETL interfaces, thereby improving device performance.The PSC with EDTA chemical bridge-mediated heterojunction ETL exhibiteda high PCE of 21.21\%, almost no hysteresis, and excellent stabilityto both air and light.
}, keywords = {charge transfer, chemical bridge, electron transport layer, ethylenediaminetetraacetic acid, Perovskite solar cells, trap-assisted recombination}, issn = {1944-8244}, doi = {10.1021/acsami.3c04852}, author = {Patil, Pramila and Maibam, Ashakiran and Sangale, Sushil S. and Mann, Dilpreet Singh and Lee, Hyun-Jung and Krishnamurty, Sailaja and Kwon, Sung-Nam and Na, Seok-In} } @article {49004, title = {Chemically gradient hydrogen-bonded organic framework crystal film}, journal = {Angewandte Chemie-International Edition}, volume = {62}, year = {2023}, month = {JUL }, type = {Article}, abstract = {
Hydrogen-bonded organic frameworks (HOFs) are ordered supramolecular solid structures, however, nothing much explored as centimetre-scale self-standing films. The fabrication of such crystals comprising self-supported films is challenging due to the limited flexibility and interaction of the crystals, and therefore studies on two-dimensional macrostructures of HOFs are limited to external supports. Herein, we introduce a novel chemical gradient strategy to fabricate a crystal-deposited HOF film on an in situ-formed covalent organic polymer film (Tam-Bdca-CGHOF). The fabricated film showed versatility in chemical bonding along its thickness from covalent to hydrogen-bonded network. The kinetic-controlled Tam-Bdca-CGHOF showed enhanced proton conductivity (8.3x10(-5) S cm(-1)) compared to its rapid kinetic analogue, Tam-Bdca-COP (2.1x10(-5) S cm(-1)), which signifies the advantage of bonding-engineering in the same system.
}, keywords = {Chemical Gradience, Crystal Films, Free-Standing Films, hydrogen-bonded organic framework, Interfacial Chemistry, proton conductivity}, issn = {1433-7851}, doi = {10.1002/anie.202304313}, author = {Mohammed, Abdul Khayum and Raya, Jesus and Pandikassala, Ajmal and Addicoat, Matthew A. and Gaber, Safa and Aslam, Mohamed and Ali, Liaqat and Kurungot, Sreekumar and Shetty, Dinesh} } @article {48268, title = {Chemically modified graphene sheets as potential sensors for organophosphate compounds(pesticide): A DFT study}, journal = {Applied Surface Science}, volume = {619}, year = {2023}, month = {MAY}, pages = {156745}, type = {Article}, abstract = {
Owing to the extensive use of pesticides in agriculture and the threat posed to the environment and humankind, attention is drawn toward the need for its remediation from various sources, in particular from water. The adsorption characteristics of hydrophobic graphene and its BN doped counterparts are evaluated using DFT methodology, to assess their sensing potential towards notable pesticide molecules (Organophosphate pesticides (OPs) such as chlorpyriphos, parathion, methyl-parathion, and fenitrothion). To accomplish this, various elec-tronic properties such as band structure, DOS, Bader charge analysis, and CDD have been calculated. Interest-ingly, exothermic interactions (-0.1 eV to-2 eV) have been noted for all the OPs with NB doped single vacancy defect induced graphene surfaces. With an exception of FTN, all the other OPs showed significant changes in the electronic properties of surfaces as apparent from the change in band gap and nature of the band from indirect to direct. The appreciable adsorption energy, higher charge transfer, and notable variation in the band gap are the decisive factors behind the strong interaction exhibited by NB doped surfaces especially dg-(NB-2)2 (except FTN). These findings demonstrate the suitability of NB doped single vacancy defect induced graphene sheets for the detection of the studied OPs.
}, keywords = {Adsorption, BN doped graphene surfaces, Charge density difference, Density functional theory, Organophosphate pesticides}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2023.156745}, author = {Shivankar, Bhavana R. and Singh, Chandrodai Pratap and Krishnamurty, Sailaja} } @article {48293, title = {Chemodivergent coupling of azoarenes with benzyl alcohols via a borrowing hydrogen strategy using a well-defined nickel catalyst}, journal = {Catalysis Science \& Technology}, volume = {13}, year = {2023}, month = {MAY }, pages = {2705-2713}, type = {Article}, abstract = {
Chemodivergent (de)hydrogenative coupling of azoarenes with benzyl alcohols is achieved via the N=N bond activation using an inexpensive and well-defined (6-OH-bpy)NiCl2 catalyst. This protocol highlights the construction of C-N bonds via a borrowing hydrogen strategy that offers substituted imines and amines. A range of azo compounds couple with various substituted benzyl alcohols in a tandem hydrogenation/dehydrogenation process. The nickel catalyst along with the K2CO3 or (KOBu)-Bu-t base governed the selectivity in imine and amine formation. A preliminary mechanistic study establishes the crucial role of metal-ligand cooperation (MLC) comprising the distinct radical pathways.
}, issn = {2044-4753}, doi = {10.1039/d3cy00090g}, author = {Bansal, Sadhna and Gonnade, Rajesh G. and Punji, Benudhar} } @article {49126, title = {Chloroperoxidase applications in chemical synthesis of industrial relevance}, journal = {Biocatalysis and Biotransformation}, volume = {41}, year = {2023}, month = {NOV }, pages = {403-420}, type = {Article}, abstract = {
Biocatalysts can accelerate the catalysis of a chemical reaction that is difficult to synthesize with typical chemical methods. The global enzyme market size is predicted to expand at a CAGR of 6.5\% from 2021 to 2028. Enzymatic reactions are highly chemo, regio, and stereoselective and produce various fine chemicals such as drugs, agrochemicals, and fragrance molecules. Peroxidases (PO) (EC 1.11.1.x) are a large class of enzymes that play an important role in various biological processes. Chloroperoxidase (CPO, EC 1.1.1.10) is a versatile fungal haem-thiolate protein that is useful in the asymmetric synthesis of chiral building blocks and has an important role in a number of biological processes. CPO{\textquoteright}s main biological role is chlorination, although it also catalyses haem PO, catalase (CAT), and reactions similar to cytochrome P450. However, CPO performs both oxidation and stereo-specific halogenation of chemical molecules. The haem and vanadium POs are produced by Caldariomyces fumago, and Curvularia inaequalis, respectively, and are capable of halogenating the flavanones, naringenin, and hesperetin, at C-6 and C-8 in the presence of either Cl- or Br-. In this review, we discussed the various applications of CPO including synthesis of epoxides, drugs, halogenation of thymol, nitriles, the Aza-Achmatowicz reaction, and biomedical applications such as cancer and biosensors. In light of these novel features, we have provided a detailed review of CPOs and their applications in various stereoselective chemical transformations of industrial relevance.
}, keywords = {active pharmaceutical ingredients, Biotransformation, Caldariomyces fumago, chemo, Chloroperoxidase, regio, stereoselectivity}, issn = {1024-2422}, doi = {10.1080/10242422.2022.2107919}, author = {Bhandari, Yogesh and Sajwan, Hemlata and Pandita, Parul and Koteswara Rao, Vamkudoth} } @article {48728, title = {Chromatography assisted in-vitro refolding and purification of recombinant peptibody: recombinant romiplostim a case study}, journal = {International Journal of Biological Macromolecules}, volume = {249}, year = {2023}, month = {SEP }, pages = {126037}, type = {Article}, abstract = {
In-vitro protein refolding is one of the key rate-limiting unit operations in manufacturing of fusion proteins such as peptibodies expressed using E. coli. Dilution-assisted refolding is the most commonly used industrial practice to achieve the soluble, native functional form of the recombinant protein from the inclusion bodies. This study is focused on developing a chromatography-assisted in-vitro refolding platform to produce the biologically active, native form of recombinant peptibody. Recombinant Romiplostim was selected as a model protein for the study. A plug flow tubular reactor was connected in series with capture step affinity chromatography to achieve simultaneous in-vitro refolding and capture step purification of recombinant Romiplostim. Effect of various critical process parameters like fold dilution, temperature, residence time, and Cysteine: DTT ratio was studied using a central composite based design of experiment strategy to achieve a maximum refolding yield of selected peptibody. Under optimum refolding conditions, the maximum refolding yield of 57.0 \& PLUSMN; 1.5 \% and a purity of over 79.73 \& PLUSMN; 3.4 \% were achieved at 25-fold dilution, 15 degrees C temperature, 6 h residence time with 6 mM and 10 mM of cysteine and DTT, respectively. The formation of native peptibody structure was examined using various orthogonal analytical tools to study the protein{\textquoteright}s primary, secondary, and tertiary structure. The amino acid sequence for the disulfide-linked peptide was mapped using collision-induced dissociation (CID) to confirm the formation of interchain disulfide bonds between Cys7-Cys7 and Cys10-Cys10 similarly for intra-chain disulfide bonds between Cys42-Cys102, and Cys148-Cys206. The developed protocol here is a valuable tool to identify high-yield scalable refolding conditions for multi-domain proteins involving inter-domain disulfide bonds.
}, keywords = {CE-SDS, Disulfide bonds, In-vitro refolding, Peptibody, Romiplostim}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2023.126037}, author = {Rana, Sunil and Ughade, Santosh and Kumthekar, Rupali and Bhambure, Rahul} } @article {48954, title = {Cloning and expression of antibody fragment (Fab) II: Effect of expression hosts on light and heavy chain gene expression}, journal = {Biochemical Engineering Journal }, volume = {200}, year = {2023}, month = {NOV}, type = {Journal Article}, abstract = {
Protein expression stoichiometry of individual subunits plays a critical role in the formation of multi-domain functional therapeutic proteins like antibody fragments. In this study, we have evaluated light to heavy chain ratio (LC: HC) of rHu Ranibizumab expressed using duet expression vector in six E. coli strains. The LC: HC ratio at the protein level was determined using RP-HPLC whereas transcript abundance of LC and HC at the mRNA level was determined using RTqPCR. Protein level study as well as the transcript abundance profiles of the LC and HC genes were observed to be differentially expressed across the E. coli strains. BL21 STAR (DE3) and Origami 2 strains resulted in a nearly equal expression ratio of LC and HC genes. Untargeted shotgun proteomics analysis was performed to identify the differentially expressed proteins. Total 1083 proteins were identified in the spectral IDA library, while 244 and 149 proteins were differentially expressed in Origami 2 and BL21 STAR (DE3) respectively. These proteins are associated with translation and nucleotide biosynthesis pathways. Ob-tained results provide insights into the impact of different E.coli host strains on LC: HC ratio, the probable reasons behind the unbalanced gene ratio, and provide useful transcriptomic and proteomics analysis protocols.
}, keywords = {E.coli host strains, Expression stoichiometry, Proteome analysis, rHu biosimilar Ranibizumab, Transcript abundance}, issn = {1369-703X}, doi = {10.1016/j.bej.2023.109094}, author = {Mehta, Deepa and Chirmade, Tejas and Nainwal, Neeraj and Bhambure, Rahul} } @article {48459, title = {CO2 electrolysis towards large scale operation: rational catalyst and electrolyte design for efficient flow-cell}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {JUN}, pages = {6774-6795}, type = {Article}, abstract = {
The electrochemical CO2 reduction reaction (CO2RR) to renewable fuels/chemicals is a potential approach towards addressing the carbon neutral economy. To date, a comprehensive analysis of key performance indicators, such as an intrinsic property of catalyst, reaction environment and technological advancement in the flow cell, is limited. In this study, we discuss how the design of catalyst material, electrolyte and engineering gas diffusion electrode (GDE) could affect the CO2RR in a gas-fed flow cell. Significant emphasis is given to scale-up requirements, such as promising catalysts with a partial current density of \>= 100 mA cm(-2) and high faradaic efficiency. Additional experimental hurdles and their potential solutions, as well as the best available protocols for data acquisition for catalyst activity evaluation, are listed. We believe this manuscript provides some insights into the making of catalysts and electrolytes in a rational manner along with the engineering of GDEs towards CO2RR.
}, issn = {1359-7345}, doi = {10.1039/d3cc01231j}, author = {Patra, Kshirodra Kumar and Gopinath, Chinnakonda S.} } @article {48696, title = {Co3O4 for sustainable CO2 reduction and possible fine-tuning towards selective CO production}, journal = {Chemical Engineering Journal}, volume = {471}, year = {2023}, month = {SEP}, pages = {144459}, type = {Article}, abstract = {
Two main challenges involved in heterogeneous catalytic CO2 reduction are: (a) decreasing the consumption of H2 to the minimum required level with possibly the maximum CO2 conversion, and (b) concurrently enhancing the selectivity of the desired CO, at the cost of methane. Towards meeting these two challenges, Co3O4 spinel has been identified as a potential catalyst and it exhibits predominant CO selectivity \> 673 K at atmospheric pressure. CO2 conversion begins \> 523 K, with 100\% CO selectivity observed \> 673 K with CO2:H2 = 3:2. Current work shows a sustainable catalytic CO2 conversion to 100\% CO selectivity with Co3O4-Nanocube (NC). Critically, CO selectivity and yield is observed to increase at the cost of methane with smaller amount of H2. 1:1 and 3:2 CO2:H2 ratio exhibits 88-100\% CO selectivity with 24-32.5\% CO2 conversion between 623 and 823 K. Irrespective of the input CO2:H2, ratio of CO2:H2 uptake changes from around 1:3 at 523 K to 1:1-1.5 at 823 K with concurrent production of significant methane to predominant CO, respectively. Surface electronic state changes was explored by near ambient pressure photoelectron spectroscopy, and the results suggests that Co3O4 is the active phase that promotes CO2 reduction selectively to CO. Broadening observed with the vibrational feature of the CO2 molecules at high temperature underscores the heterogeneous character of the catalyst surface, under operating conditions, due to changing electron density. By optimizing the gas hourly space velocity (GHSV), H2-lean CO2:H2 ratio, and the reaction temperature/pressure, 100\% CO selectivity could be broadened to a range of operating conditions.
}, keywords = {Carbon neutral economy, heterogeneous catalysis, RWGS, SDG, Surface Science}, issn = {1385-8947}, doi = {10.1016/j.cej.2023.144459}, author = {Ranjan, Ravi and Tekawadia, Jyoti and Jain, Ruchi and Mhamane, Nitin B. and Raja, Thirumalaiswamy and Gopinath, Chinnakonda S.} } @article {48309, title = {Cobalt-manganese modified theophrastite phase of nickel hydroxide nanoflower arrays on nickel foam as a self-standing bifunctional electrode for overall water electrolysis}, journal = {Sustainable Energy \& Fuels}, volume = {7}, year = {2023}, month = {MAY}, pages = {2428-2440}, type = {Article}, abstract = {
Designing and developing self-supported electrodes for water electrolysis is attractive as compared to conventional catalyst-coated electrodes. Herein, a (Co0.3Mn0.1Ni0.6)(OH)(2)/NF nanocomposite is prepared by anchoring (Co0.3Mn0.1Ni0.6)(OH)(2)via simple one-pot hydrothermal synthesis on nickel foam. The presence of Mn induces the external electronic structure of Co(OH)(2), and this also improves the electrochemically active surface area (ECSA). These favor better accessibility of active sites and increased intrinsic activity for the OER and HER. (Co0.3Mn0.1Ni0.6)(OH)(2)/NF has shown promising electrochemical activity toward the OER and HER in a 1 M KOH electrolyte, with an overpotential of 270 mV for the OER and 163 mV for the HER to deliver 10 mA cm(-2) current density. The overall water splitting was performed by employing (Co0.3Mn0.1Ni0.6)(OH)(2)/NF as both the cathode and anode by displaying a voltage of 1.62 V at 10 mA cm(-2), which is comparable to that extracted from a similar system based on the state-of-the-art Pt/C@NF cathode and RuO2@NF anode (1.60 V at 10 mA cm(-2)) standard electrode pair. Interestingly, at high current densities, the (Co0.3Mn0.1Ni0.6)(OH)(2)/NF//(Co0.3Mn0.1Ni0.6)(OH)(2)/NF system displayed better overall water splitting performance (1.78 V at 100 mA cm(-2)) compared to its Pt/C@NF//RuO2@NF (1.89 V at 100 mA cm(-2)) counterpart while displaying a stable output during the evolution period that lasted for 24 h. The amounts of H-2 and O-2 produced are estimated to be 701.2 and 358.6 mmol, respectively, at a time interval of 1 h; these amounts correspond to an similar to 1 : 2 ratio of O-2 and H-2, respectively. This study confirms the capability for employing (Co0.3Mn0.1Ni0.6)(OH)(2)/NF as a bi-functional and self-standing electrode for the realistic demonstrations of overall water splitting applications.
}, issn = {2398-4902}, doi = {10.1039/d3se00233k}, author = {Kharabe, Geeta Pandurang and Illathvalappil, Rajith and Barik, Sidharth and Kanheerampockil, Fayis and Walko, Priyanka S. and Bhat, Suresh K. and Devi, R. Nandini and Kurungot, Sreekumar} } @article {48793, title = {Cocrystal approach to modulate the photoluminescent properties of a GFP chromophore analogue: role of halogen/hydrogen bonding in achieving a wide range of solid-state fluorescence emissions}, journal = {Crystal Growth \& Design}, volume = {23}, year = {2023}, month = {JUN }, pages = {5052-5065}, type = {Article}, abstract = {
Fine-tuning the photophysical properties of fluorescentorganicsolids is essential to attain multicolor displays and meet the demandfor futuristic light-emitting materials. Here, we report the tunableluminescence of a green fluorescent protein (GFP) chromophore analogue,3,4,5-TIA (A), based on the formation of two-component molecular cocrystalswith six different coformers. Coformers selected to synthesize thebinary cocrystals include 1,4-diiodotetrafluorobenzene (B), perfluoronaphthalene(C), 1,4-dibromotetrafluorobenzene (D), 2,3,5,6-tetrafluoroterephthalicacid (E), benzene-1,2,4,5-tetracarbonitrile (F), and benzene-1,2,4,5-tetracarboxylicacid (G). Interestingly, the cocrystals A center dot C and A center dot Fshowed molecular crystal polymorphism with a slight variation in fluorescence,revealing an aggregation-induced emission (AIE). A crystal structureanalysis showed the interplay of hydrogen bonding, halogen bonding,and aromatic pi-stacking interactions in associating neutralsolid components in the cocrystal. All of the novel cocrystals displayeda wide range of photoluminescence ranging from blue to dark orange.The time-dependent density functional theory (TD-DFT) calculationsindicate the changes in the energy level structures (HOMO to LUMO)in cocrystals that resulted in variations in fluorescence emission.The study aims to further understand the structure-propertyrelationship between molecular arrangement and photoluminescence. Cocrystals of a GFPc analogue with differentcoformers displayeda wide range of fluorescence emissions ranging from blue to dark orangewith varying quantum yields. With similar geometries of pi-stackinginteractions, hydrogen and halogen bonding have played a vital rolein fine-tuning the photoluminescence; halogen bonding leads to a blueshift, and hydrogen bonding results in a red shift.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.3c00307}, author = {Mali, Bhupendra P. and Dash, Soumya Ranjan and Annadhasan, Mari and Biswas, Anupam and Manoj, Kochunnoonny and Vanka, Kumar and Gonnade, Rajesh G.} } @article {48812, title = {Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration}, journal = {CrystEngComm}, volume = {25}, year = {2023}, month = {OCT }, pages = {5565-5574}, type = {Article}, abstract = {
A multi-kinase inhibitor, pazopanib (PAZ) is cocrystallized with cyclooxygenase (COX) inhibitor fenamic acids to investigate the dissolution rate and inhibition of cell migration in VEGF-triggered HUVEC cells to test the efficacy of stoichiometric drug-drug combinations. Crystallization experiments at the sub-milligram level in an acetonitrile-methanol mixture yielded two drug-drug salt forms of PAZ with flufenamic acid (FFA) and niflumic acid (NFA) as PAZ+center dot FFA-center dot ACN (an acetonitrile solvate named as form I) and PAZ+center dot NFA-. Structures of the crystal forms were characterized by single crystal X-ray diffraction (SC-XRD) method. Crystal structures revealed that the presence of a 2-aminopyrimidine group in PAZ is a strong partner for the carboxyl group in all solid forms, forming an acidMIDLINE HORIZONTAL ELLIPSISpyrimidine heterosynthon with COX inhibitor fenamic acids. To perform dissolution experiments and cell line analysis, the scale-up of both salt forms were done in the acetonitrile-methanol mixture through crystallization, which showed a polymorphic transformation in the case of PAZ+center dot FFA-center dot ACN (an acetonitrile solvate named form II). The thermodynamic stability of PAZ+center dot FFA-center dot ACN (form II) and PAZ+center dot NFA- were analysed using slurry experiment under ambient conditions in pH 1.2 (0.1 N HCl) buffer medium and the residual solid phase was characterized by powder XRD, which showed that PAZ+center dot FFA-center dot ACN (form II) was a metastable solid form while PAZ+center dot NFA- was a stable solid form. The dissolution experiments at gastric pH 1.2 showed that the rate of dissolution of PAZ+center dot FFA-center dot ACN was 10 times higher than PAZ+center dot NFA-. The cell migration assay suggested that PAZ+center dot FFA-center dot ACN inhibited similar to 25\% and PAZ+center dot NFA- inhibited similar to 20\% migration of HUVEC cells compared to PAZ alone. These investigations suggested that the drug-drug salts PAZ+center dot FFA- and PAZ+center dot NFA- would be potential combo drug candidates for clinical trials. Multi-drug crystalline salts of pazopanib with fenamic acids exhibit enhanced dissolution and 20\% higher inhibition in the migration of HUVEC cells compared to the reference drug.
}, doi = {10.1039/d3ce00773a}, author = {Rai, Sunil K. and Gunnam, Anilkumar and Roy, Debopriya and Rajput, Raveena and Kulkarni, Kiran and Nangia, Ashwini K.} } @article {48442, title = {Cofilin-membrane interactions: electrostatic effects in phosphoinositide lipid binding}, journal = {ChemPhysChem}, volume = {24}, year = {2023}, month = {FEB }, type = {Article}, abstract = {
The actin cytoskeleton interacts with the cell membrane primarily through the indirect interactions of actin-binding proteins such as cofilin-1. The molecular mechanisms underlying the specific interactions of cofilin-1 with membrane lipids are still unclear. Here, we performed coarse-grain molecular dynamics simulations of cofilin-1 with complex lipid bilayers to analyze the specificity of protein-lipid interactions. We observed the maximal interactions with phosphoinositide (PIP) lipids, especially PIP2 and PIP3 lipids. A good match was observed between the residues predicted to interact and previous experimental studies. The clustering of PIP lipids around the membrane bound protein leads to an overall lipid demixing and gives rise to persistent membrane curvature. Further, through a series of control simulations, we observe that both electrostatics and geometry are critical for specificity of lipid binding. Our current study is a step towards understanding the physico-chemical basis of cofilin-PIP lipid interactions.
}, keywords = {complex membrane, lipid clustering, Martini coarse-grain simulations, Molecular dynamics simulations, Protein-lipid interactions}, issn = {1439-4235}, doi = {10.1002/cphc.202200509}, author = {Prakash, Shikha and Krishna, Anjali and Sengupta, Durba} } @article {48795, title = {COF-supported zirconium oxyhydroxide as a versatile heterogeneous catalyst for Knoevenagel condensation and nerve agent hydrolysis}, journal = {iScience}, volume = {26}, year = {2023}, month = {NOV}, pages = {108088}, type = {Article}, abstract = {
A composite of catalytic Lewis acidic zirconium oxyhydroxides (8 wt \%) and a covalent organic framework (COF) was synthesized. X-ray diffraction and infrared (IR) spectroscopy reveal that COF{\textquoteright}s structure is pre-served after loading with zirconium oxyhydroxides. Electron microscopy confirms a homogeneous distri-bution of nano-to sub-micron-sized zirconium clusters in the COF. 3D X-ray tomography captures the micron-sized channels connecting the well-dispersed zirconium clusters on the COF. The crystalline ZrOx(OH)(y)@COF{\textquoteright}s nanostructure was model-optimized via simulated annealing methods. Using 0.8 mol \% of the catalyst yielded a turnover number of 100-120 and a turnover frequency of 160-360 h(-1) for Knoevenagel condensation in aqueous medium. Additionally, 2.2 mol \% of catalyst catalyzes the hy-drolysis of dimethyl nitrophenyl phosphate, a simulant of nerve agent Soman, with a conversion rate of 37\% in 180 min. The hydrolytic detoxification of the live agent Soman is also achieved. Our study unveils COF-stabilized ZrOx(OH)(y) as a new class of zirconium-based Lewis + Bronsted-acid catalysts.
}, doi = {10.1016/j.isci.2023.108088}, author = {Shekhar, Pragalbh and Devulapalli, Venkata Swaroopa Datta and Reji, Reshma and Singh, Himan Dev and Jose, Aleena and Singh, Piyush and Torris, Arun and Vinod, Chatakudath P. and Tokarz III, John A. and Mahle, John J. and Peterson, Gregory W. and Borguet, Eric and Vaidhyanathan, Ramanathan} } @article {48489, title = {Comparative evaluation of advanced oxidation processes (AOPs) for reducing SARS-CoV-2 viral load from campus sewage water}, journal = {Journal of Environmental Chemical Engineering}, volume = {11}, year = {2023}, month = {JUN}, pages = {109673}, type = {Article}, abstract = {
Presence of SARS-CoV-2 in wastewater is a major concern as the wastewater meets rivers and other water bodies and is used by the population for various purposes. Hence it is very important to treat sewage water in an efficient manner in order to reduce the public health risk. In the present work, various advanced oxidation processes (AOPs) have been evaluated for disinfection of SARS-CoV-2 from sewage water collected from STP inlet of academic institutional residential. The sewage water was subjected to ten AOPs, which include Ozone (O3), Hydrodynamic cavitation (HC), Ultraviolet radiation (UV), and their hybrid combinations like HC/O3, HC/O3/ H2O2, HC/H2O2, O3/UV, UV/H2O2, UV/H2O2/O3, and O3/H2O2 to reduce SARS-CoV-2 viral load. Further, AOP treated sewage water was subjected to total nucleic acid isolation followed by RT-qPCR for viral load estimation. The sewage water treatment techniques were evaluated based on their viral concentration-reducing efficiency. It was found that ozone and ozone-coupled hybrid AOPs showed the most promising result with more than 98 \% SARS-CoV-2 viral load reducing efficiency from sewage water. Interestingly, the best six AOPs used in this study significantly reduced both the SARS-CoV-2 and PMMoV (faecal indicator) viral load and improved water quality in terms of increasing DO and decreasing TOC.
}, keywords = {AOPs and hybrid AOPs, Hydrodynamic cavitation, Ozonation, PMMoV, SARS-CoV-2, Sewage water treatment}, issn = {2213-2929}, doi = {10.1016/j.jece.2023.109673}, author = {Pramanik, Rinka and Bodawar, Narendra and Brahme, Aashay and Kamble, Sanjay and Dharne, Mahesh} } @article {47350, title = {Comparative studies of the influence of particle size on various pretreatments of rice husk by assessment of chemical and structural components and wastewater characteristics of liquid fraction}, journal = {Biomass Conversion and Biorefinery}, volume = {13}, year = {2023}, month = {APR}, type = {Article}, abstract = {
The dilute acid (DA), steam explosion (SE), and a 2-step: steam explosion followed by alkali (SEA) were evaluated for pretreatment of rice husk. The maximum hemicellulose and lignin removal via degradation and dissolution was observed for SEA pretreatment, enabling higher cellulose enrichment (up to 44\% w/w) and recovery (up to 78\%). The hemicellulose solubilization was \>90\% for all the pretreatments, while maximum lignin removal (up to 62\%) was observed for SEA pretreatment. The particle size in the range of 0.3-0.6 mm enabled higher pretreatment efficiencies in terms of cellulose enrichment. The liquid fraction obtained after DA pretreatment indicated higher COD values (20800-24440 mg/L) as compared to SEA (7800-11400 mg/L) due to lower cellulose recoveries in DAP (54-68\%). SEM analysis of the biomass indicated disrupted regions with multiple pores. FTIR analysis revealed cleavage of lignin side chains, and XRD analysis confirmed the increase in cellulose crystallinity post-pretreatment.
}, keywords = {Lignocellulosic crop residues, Liquid-waste characterization, Particle size, Rice husk biomass, Steam explosion pretreatment}, issn = {2190-6815}, doi = {10.1007/s13399-021-01565-z, Early Access Date = JUN 2021}, author = {Shahabazuddin, Mohmmad and Banuvalli, Bhavana Karibasappa and Mulik, Nagesh and Pande, Ashwini and Bokade, Vijay and Mudliar, Sandeep Narayan} } @article {48978, title = { Comparative study of the correlation between the structure and the dynamics for systems interacting via attractive and repulsive potentials}, journal = {Journal of Chemical Physics }, volume = {159}, year = {2023}, month = {SEP }, type = {Article}, abstract = {
We present the study of the structure-dynamics correlation for systems interacting via attractive Lennard-Jones (LJ) and its repulsive counterpart, the Weeks-Chandler-Andersen (WCA) potentials. The structural order parameter (SOP) is related to the microscopic mean-field caging potential. At a particle level, the SOP shows a distribution. Although the two systems have similar pair structures, their average SOP differs. However, this difference alone is insufficient to explain the well known slowing down of the dynamics in the LJ system at low temperatures. The slowing down can be explained in terms of a stronger coupling between the SOP and the dynamics. To understand the origin of this system specific coupling, we study the difference in the microscopic structure between the hard and soft particles. We find that for the LJ system, the structural differences of the hard and soft particles are more significant and have a much stronger temperature dependence compared to the WCA system. Thus, the study suggests that attractive interaction creates more structurally different communities. This broader difference in the structural communities is probably responsible for stronger coupling between the structure and dynamics. Thus, the system specific structure-dynamics correlation, which also leads to a faster slowing down in the dynamics, appears to have a structural origin. A comparison of the predictive power of our SOP with the local energy and two body excess entropy in determining the dynamics shows that in the LJ system, the enthalpy plays a dominant role and in the WCA system, the entropy plays a dominant role, and our SOP can capture both these contributions.
}, issn = {0021-9606}, doi = {10.1063/5.0165417}, author = {Sharma, Mohit and Nandi, Manoj Kumar and Bhattacharyya, Sarika Maitra} } @article {48302, title = {Comparison of the solid-state and submerged fermentation derived secretomes of hyper-cellulolytic Penicillium janthinellum NCIM 1366 reveals the changes responsible for differences in hydrolytic performance}, journal = {Bioresource Technology}, volume = {371}, year = {2023}, month = {MAR}, pages = {128602}, type = {Article}, abstract = {
better hydrolytic performance along with a higher initial rate of reaction. Secretome analyses of the SSF and SmF enzymes using LC/MS-MS, indicated that while the type of proteins secreted were similar in both modes, the abundance of specific beta glucosidases, lytic polysaccharide monooxygenases and hemicellulolytic enzymes were very high in SSF resulting in efficient initiation, low accumulation of cellobiose and high initial reaction rates. Key enzymes that catalyse lignocellulose breakdown under SSF and SmF are therefore different and the fungus may be speculated to have regulation mechanisms that aid differential expression under different culti
}, keywords = {Cellulase, Solid -state fermentation}, issn = {0960-8524}, doi = {10.1016/j.biortech.2023.128602}, author = {Sankar, Meena and Mathew, Reshma M. and Puthiyamadam, Anoop and Sreeja-Raju, Athiraraj and Christopher, Meera and Gokhale, Digambar Vitthal and Sukumaran, Rajeev K.} } @article {48687, title = {On the competition between six-membered and five-membered NHC towards alane centered ring expansion}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {JUL}, pages = {8540-8543}, type = {Article}, abstract = {
The combination of 6-SIDipp center dot AlH3 (1) and 5-IDipp resulted in the ring expansion of 6-NHC, while the five-membered NHC remained unchanged, which was subsequently explained by DFT studies. Besides, the substitution chemistry of 1 was also studied with TMSOTf and I-2, which gave rise to the substitution of a hydride by triflate or iodide ligands.
}, issn = {1359-7345}, doi = {10.1039/d3cc02063k}, author = {Balayan, Kajal and Sharma, Himanshu and Vanka, Kumar and Ravindranathan, Sapna and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {48666, title = {Composites of HKUST-1@nanocellulose for gas-separation and dye-sorption applications}, journal = {CHEMISTRY-A EUROPEAN JOURNAL}, volume = {29}, year = {2023}, month = {JUN}, type = {Article}, abstract = {
In this study, composites of HKUST-1 MOF with nanocellulose, HKUST-1@NCs, have been prepared and explored for CO2/N-2 gas-separation and dye-sorption based applications. Our biopolymer-MOF composites are prepared via a copper ion pre-seeding method, in which, the HKUST-1 crystallites are grown in situ on the Cu-seeded and carboxylate anchored NC fibers for a better interfacial integration between the MOF and the polymer matrices. Static gas sorption studies show the capability of one of our HKUST-1@NC composites to reach similar to 300 \% enhancement in the CO2/N-2 sorption selectivity compared to the corresponding MOF alone - blank reference sample prepared at similar conditions. The same composite, C100, in the bulk powder form, shows a remarkable IAST sorption selectivity of 298 (CO2/N-2) at 298 K and 1 bar for the CO2/N-2 (15/85, v/v) gas mixture. The relative position of the C100, in the bound plot visualizations of the CO2/N-2 separation trade-off factors indicate a significant potential. The HKUST-1@NC composites have also been processed along with a polymeric cellulose acetate (CA) matrix as HKUST-1@NC@CA films to study them as free-standing mixed-matrix membranes. The CO2/N-2 sorption selectivity, at 298 K and 1 bar is 600 for one such membrane, C-120@CA, as bulk sample studied by the static gas sorption. The composite, C120, exhibits a good uptake with an enhancement of 11 \% for alizarin and 70 \% for Congo red in comparison to the uptakes of the corresponding blank reference HKUST-1 sample, B120.
}, keywords = {CO2 separation, dye sorption, MOFs, nanocellulose composites, sustainable polymers}, issn = {0947-6539}, doi = {10.1002/chem.202300674}, author = {Muhamed, Shamna and Sunny, Blesson and Kunjattu, Shebeeb H. and Alagarsamy, Thirumurugan} } @article {48480, title = {Comprehensive analysis of physiological and metabolomic responses to drought reveals specific modulation of acquired tolerance mechanisms in rice}, journal = {Physiologia Plantarum}, volume = {175}, year = {2023}, month = {MAY}, pages = {e13917}, type = {Article}, abstract = {
Mild stresses induce {\textquoteleft}{\textquoteleft}acquired tolerance traits{\textquoteright}{\textquoteright} (ATTs) that provide tolerance when stress becomes severe. Here, we identified the genetic variability in ATTs among a panel of rice germplasm accessions and demonstrated their relevance in protecting growth and productivity under water-limited conditions. Diverse approaches, including physiological screens, association mapping and metabolomics, were adopted and revealed 43 significant marker-trait associations. Nontargeted metabolomic profiling of contrasting genotypes revealed 26 {\textquoteleft}{\textquoteleft}tolerance-related-induced{\textquoteright}{\textquoteright} primary and secondary metabolites in the tolerant genotypes (AC-39000 and AC-39020) compared to the susceptible one (BPT-5204) under water-limited condition. Metabolites that help maintain cellular functions, especially Calvin cycle processes, significantly accumulated more in tolerant genotypes, which resulted in superior photosynthetic capacity and hence water use efficiency. Upregulation of the glutathione cycle intermediates explains the ROS homeostasis among the tolerant genotypes, maintaining spikelet fertility, and grain yield under stress. Bioinformatic dissection of a major effect quantitative trait locus on chromosome 8 revealed genes controlling metabolic pathways leading to the production of osmolites and antioxidants, such as GABA and raffinose. The study also led to the identification of specific trait donor genotypes that can be effectively used in translational crop improvement activities.
}, issn = {0031-9317}, doi = {10.1111/ppl.13917}, author = {Doddaraju, Pushpa and Dharmappa, Prathibha M. and Thiagarayaselvam, Aarthy and Vijayaraghavareddy, Preethi and Bheemanahalli, Raju and Basavaraddi, Priyanka A. and Malagondanahalli, Mohan Kumar V. and Kambalimath, Sumanth and Thulasiram, Hirekodathakallu V. and Sreeman, Sheshshayee M.} } @article {48319, title = {Comprehensive molecular and clinical investigation of approved Anti-HCV drugs repurposing against SARS-CoV-2 infection: a glaring gap between benchside and bedside medicine}, journal = {Vaccines}, volume = {11}, year = {2023}, month = {MAR}, pages = {515}, type = {Article}, abstract = {
The limited availability of effective treatment against SARS-CoV-2 infection is a major challenge in managing COVID-19. This scenario has augmented the need for repurposing anti-virals for COVID-19 mitigation. In this report, the anti-SARS-CoV-2 potential of anti-HCV drugs such as daclatasvir (DCV) or ledipasvir (LDP) in combination with sofosbuvir (SOF) was evaluated. The binding mode and higher affinity of these molecules with RNA-dependent-RNA-polymerase of SARS-CoV-2 were apparent by computational analysis. In vitro anti-SARS-CoV-2 activity depicted that SOF/DCV and SOF/LDP combination has IC50 of 1.8 and 2.0 mu M, respectively, comparable to remdesivir, an approved drug for COVID-19. Furthermore, the clinical trial was conducted in 183 mild COVID-19 patients for 14 days to check the efficacy and safety of SOF/DCV and SOF/LDP compared to standard of care (SOC) in a parallel-group, hybrid, individually randomized, controlled clinical study. The primary outcomes of the study suggested no significant difference in negativity after 3, 7 and 14 days in both treatments. None of the patients displayed any worsening in the disease severity, and no mortality was observed in the study. Although, the post hoc exploratory analysis indicated significant normalization of the pulse rate showed in SOF/DCV and SOF/LDP treatment vs. SOC. The current study highlights the limitations of bench side models in predicting the clinical efficacy of drugs that are planned for repurposing.
}, keywords = {antiviral, COVID-19, daclatasvir, ledipasvir, SARS-CoV-2, sofosbuvir}, doi = {10.3390/vaccines11030515}, author = {Bansode, Sneha and Singh, Pawan Kumar and Tellis, Meenakshi and Chugh, Anita and Deshmukh, Narendra and Gupta, Mahesh and Verma, Savita and Giri, Ashok and Kulkarni, Mahesh and Joshi, Rakesh and Chaudhary, Dhruva} } @article {49130, title = {Comprehensive molecular docking and dynamic simulations for drug repurposing of clinical drugs against multiple cancer kinase targets}, journal = {Journal of Biomolecular Structure and Dynamics}, volume = {41}, year = {2023}, month = {NOV }, pages = {7735-7743}, type = {Article}, abstract = {
Drug repurposing is a method to identify novel therapeutic agents from the existing drugs and clinical compounds. In the present comprehensive work, molecular docking, virtual screening and dynamics simulations were carried out for ten cancer types viz breast, colon, central nervous system, leukaemia, melanoma, ovarian, prostate, renal and lung (non-small and small cell) against validated eighteen kinase targets. The study aims to understand the action of chemotherapy drugs mechanism through binding interactions against selected targets via comparative docking simulations with the state-art molecular modelling suits such as MOE, Cresset-Flare, AutoDock Vina, GOLD and GLIDE. Chemotherapeutic drugs (n = 112) were shortlisted from standard drug databases with appropriate chemoinformatic filters. Based on docking studies it was revealed that leucovorin, nilotinib, ellence, thalomid and carfilzomib drugs possessed potential against other cancer targets. A library was built to enumerate novel molecules based on the scaffold and functional groups extracted from known drugs and clinical compounds. Twenty novel molecules were prioritised further based on drug-like attributes. These were cross docked against 1MQ4 Aurora-A Protein Kinase for prostate cancer and 4UYA Mitogen-activated protein kinase for renal cancer. All docking programs yielded similar results but interestingly AutoDock Vina yielded the lowest RMSD with the native ligand. To further validate the final docking results at atomistic level, molecular dynamics simulations were performed to ascertain the stability of the protein-ligand complex. The study enables repurposing of drugs and lead identification by employing a host of structure and ligand based virtual screening tools and techniques. Communicated by Ramaswamy H. Sarma
}, keywords = {chemotherapeutic drugs, Drug repurposing, Molecular docking, molecular simulation (MD), structure-based drug designing (SBDD), virtual screening}, issn = {0739-1102}, doi = {10.1080/07391102.2022.2124453}, author = {Shaikh, Nilofer and Linthoi, R. K. and Swamy, V, K. and Karthikeyan, Muthukumarasamy and Vyas, Renu} } @article {47596, title = {Comprehensive review on catalytic O-alkylation of phenol and hydroquinone}, journal = {Catalysis Reviews-Science and Engineering}, volume = {65}, year = {2023}, month = {APR}, pages = {455-500}, type = {Review}, abstract = {
The alkylation process involves two competitive paths of O- and C-alkylation and achieving better selectivity for desired products is a very challenging problem. The development of new process for synthesis of O-methylated products of phenol and dihydric phenols is a subject of high industrial and academic interest. Alkyl phenyl ethers, especially anisole and 4-methoxyphenol, have captivated significant interest due to their increasing applications in pharmaceutical industries. The main emphasis of the present review is to explore the recent development in two catalytic O-alkylation processes. The first process is O-methylation of phenol into anisole and another is selective mono O-methylation of hydroquinone into 4-methoxyphenol. The present article covers O-alkylation methods with methanol and dimethyl carbonate as alkylating agent over various acidic and basic catalytic systems. The catalyst systems analyzed involves Bronsted and Lewis acidic and basic ionic liquids, conventional acids, metal oxides, solid acid and basic catalysts, hydrotalcites, various zeolites and heteropolyacids. The mechanistic behavior of alkylation reactions in presence of different catalytic system is reviewed critically which is important to design new and/or modified catalyst in order to maximize the yield of desired product. Additionally, an influence of reaction parameters, role of catalyst and their active sites on product distribution is described. The review paper gives useful insight for researchers in the field of catalysis and reaction engineering of alkylation reactions. Understandings of the reaction pathways will help in developing reliable kinetic models necessary for process scale-up to industrial scale reactor system.
}, keywords = {Dimethyl carbonate, Hydroquinone, Methanol, O-alkylation, phenol}, issn = {0161-4940}, doi = {10.1080/01614940.2021.1930490}, author = {Bhongale, Priyanka and Joshi, Sunil and Mali, Nilesh} } @article {48985, title = {Comprehensive study on solomonamides: total synthesis, stereochemical revision, and SAR studies toward identification of simplified lead}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {DEC }, pages = {17088-17133}, type = {Article}, abstract = {
Solomonamides, a pair of macrocyclic peptide natural products originating from marine sources, have garnered significant attention within the synthetic community owing to their marked anti-inflammatory efficacy and intricate molecular architectures. In this paper, we present a very detailed investigation into solomonamides, including the challenges associated with the total synthesis, the evolution of our synthetic strategies, structural reassignment, synthesis of all possible stereoisomeric macrocycles, biological assessment, structure-activity relationship (SAR) studies, etc. Within the ambit of this total synthesis, diverse strategies for macrocyclization were rigorously explored, encompassing the Friedel-Crafts acylation, cyclization involving the aniline NH2 moiety, macrolactamization utilizing Gly-NH2, and Heck macrocyclization methodologies. In addition, an array of intriguing chemical transformations were devised, including but not limited to photo-Fries rearrangement, Wacker oxidation, ligand-free Heck macrocyclization, oxidative cleavage of indole, synthesis of contiguous stereocenters via substrate/reagent-controlled protocols, and simultaneous making and breaking of olefinic moieties. The findings of this investigation revealed a structurally simplified lead compound. Remarkably, the lead compound, while possessing structural simplification in comparison to the intricate solomonamide counterparts, demonstrates equipotent in vivo anti-inflammatory efficacy.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c01987}, author = {Jachak, Gorakhnath R. and Kashinath, K. and Vasudevan, N. and Athawale, Paresh R. and Choudhury, Rahul and Dange, Santoshkumar S. and Agarwal, Heena and Barthwal, Manoj Kumar and Reddy, D. Srinivasa} } @article {48283, title = {Computational insights into the iron-catalyze d magnesium-me diate d hydroformylation of alkynes}, journal = {Journal of Organometallic Chemistry}, volume = {986}, year = {2023}, month = {FEB}, pages = {122621}, type = {Article}, abstract = {
Iron is one of the most abundant transition metals in the earth{\textquoteright}s crust. It has attracted a lot of attention due to its low toxicity, bio-compatibility, and high natural abundance. Iron-catalyzed hydroamination, hydroalkoxylation, hydrocarboxylation, hydrosilylation, hydroboration, hydrophosphination, hydromagnesiation, and carbonylation reactions have therefore been developed over the past decades. However, despite many experimental and theoretical studies, a complete mechanistic understanding of iron-catalyzed hydrofunctionalisation at the molecular level has not yet been achieved. In this work, through density functional theory (DFT) calculations, we have shown the most feasible path for the hydroformylation of alkynes for an experimentally studied system. We have looked at the iron salt as a precatalyst without any external donor ligand, and the calculations revealed that hydrometalation followed by beta-hydride elimination was favorable over the direct migration of the beta-hydrogen to carbon. Furthermore, our calculations show that the solvent plays an important role in the hydromagnesiation reaction. Furthermore, we have employed an explicit solvent model, where the attachment of one molecule of solvent to the iron center was seen to stabilize the transition states significantly.(c) 2023 Elsevier B.V. All rights reserved.
}, keywords = {Computational study, Ethylene Assisted Catalysis, EtMgBr Assistance, Explicit Role of Solvent, Hydroformylation, Iron Catalyst}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2023.122621}, author = {Sharma, Himanshu and Tewari, Tanuja and Chikkali, Samir H. and Vanka, Kumar} } @article {48730, title = {Concise approach for the synthesis of the tetracyclic framework of Lycibarbarines A and B}, journal = {Tetrahedron Letters}, volume = {121}, year = {2023}, month = {MAY }, type = {Article}, abstract = {
A simple approach for the construction of the tetracyclic spiroketal skeleton of Lycibarbarine A and B has been described. Employing a solvent free condition for epoxide opening with tetrahydroquinoline as a key reaction to couple both the fragments, an oxidation followed by TBAF-mediated silyl deprotection spiroketalization establishes the complete tetracyclic core present in these natural products. (c) 2023 Elsevier Ltd. All rights reserved.
}, keywords = {Chiral pool approach, D -Glyceraldehyde, Tetracyclic spiroketal, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2023.154493}, author = {Shet, Manoj N. and Nechooli, Hemanth K. and Ramana, Chepuri V.} } @article {48264, title = {Construction of the quinobenzoxazine core via gold-catalyzed dual annulation of azide-tethered alkynones with anthranils}, journal = {Organic \& Biomolecular Chemistry}, volume = {21}, year = {2023}, month = {MAR }, pages = {2127-2137}, type = {Article}, abstract = {
A new catalytic method for the construction of the quinobenzoxazine core has been developed employing the gold-catalyzed cyclization of o-azidoacetylenic ketones in the presence of anthranils. The overall process comprises of a gold-catalyzed 6-endo-dig cyclisation of o-azidoacetylenic ketone leading to a alpha-imino gold carbene and subsequent carbene transfer to anthranil leading to the 3-aryl-imino-quinoline-4-one intermediate, which undergoes 6 pi-electrocyclization and aromatization to form the central quinobenzoxazine core. This transformation provides a new approach to a diverse array of quinobenzoxazine structures, in addition to being scalable and having mild reaction conditions.
}, issn = {1477-0520}, doi = {10.1039/d3ob00098b}, author = {Halnor, Swapnil V. V. and Dhote, Pawan S. S. and Ramana, Chepuri V. V.} } @article {48813, title = {Continuous hydrogenation of cinnamaldehyde: gas-liquid-liquid-solid helical coil reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {62}, year = {2023}, month = {AUG }, pages = {19250-19261}, type = {Article}, abstract = {
The advantages and challenges of using the gas-liquid-liquid-solid(GLLS) hydrogenation system are discussed in this work using the caseof selective hydrogenation of cinnamaldehyde to cinnamyl alcohol (animportant ingredient in the perfume and flavoring industry). The fourphases in this system include gas (hydrogen)-liquid (organic, reactant+ solvent)-liquid (aqueous KOH)-solid (5\% Pt/C catalyst). The additionof second liquid phase, i.e., aqueous KOH significantly increasesselectivity toward cinnamyl alcohol compared to the conventional three-phasehydrogenation. The four-phase GLLS reactions were carried out andoptimized in a continuous helical coil reactor. The role of key aspectssuch as gas solubility, kinetics, flow hydrodynamics, axial dispersion,and mass transfer on the performance of a continuous GLLS reactoris presented and discussed in this work. The presented results anddiscussion will be useful for addressing conflicting demands likelong residence time, low axial dispersion, and high mass transfer.The experimental studies and results of the developed mathematicalmodel indicate that the continuous GLLS helical coil reactor outperformsthe batch operation. The production rates (kg day(-1)) of cinnamyl alcohol achieved in continuous operation were at leastdouble in comparison to batch operation, with 32\% less consumptionof precious catalyst (per kg of product). The presented results will open up new opportunities for enhancing selectivity and overall performanceof hydrogenations via introducing a second immiscible liquid phaseand designing continuous tubular reactors for the same.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c00841}, author = {Khan, Muzammil Y. and Joshi, Sunil S. and Ranade, Vivek V.} } @article {48263, title = {Controlled reduction of isocyanates to formamides using monomeric magnesium}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {FEB}, pages = {2255-2258}, type = {Article}, abstract = {
This work describes a transition metal-free methodology involving an efficient and controlled reduction of isocyanates to only formamide derivatives using pinacolborane (HBpin) as the hydrogenating agent and a bis(phosphino)carbazole ligand stabilized magnesium methyl complex (1) as the catalyst. A large number of substrates undergo selective hydroboration and give exclusively N-boryl formamides.
}, issn = {1359-7345}, doi = {10.1039/d3cc00036b}, author = {Kumar, Rohit and Sharma, Vishal and Banerjee, Subhrashis and Vanka, Kumar and Sen, Sakya S.} } @article {48316, title = {Controlled synthesis of thermosensitive tunable porous film of (pNIPAM)-b-(PCL) copolymer for sustain drug delivery}, journal = {Journal of Applied Polymer Science}, volume = {140}, year = {2023}, month = {MAY}, pages = {e53854}, type = {Article}, abstract = {
There have been reports on different types of porous polymer films for various applications. The designing of such porous films with uniform properties is a challenging task. In this work, tunable porous thin films of poly(N-isopropylacrylamide) (pNIPAM) and polycaprolactone (PCL), that is, (pNIPAM)-b-(PCL) has been fabricated and its sustained drug delivery applications have been reported. First, the (pNIPAM)-b-(PCL) has been synthesized through the addition polymerization of pNIPAM and PCL. Then the synthesized (pNIPAM)-b(PCL) has been used to design porous thin film with varying temperatures without using any external template, below and above the lower critical solution temperatures (LCST) of pNIPAM. Pore size in (pNIPAM)-b-(PCL) films has been tuned by varying the temperature from similar to 10 to 40 degrees C. Then the developed thermosensitive porous film has been taken and seeded with the K562 (chronic myeloid leukemia blood cancer) and HepG2 (hepatocarcinoma) cells and the skin cancer cells (B16-F10) killing efficiency of anticancer drug (e.g., doxorubicin hydrochloride, DOX) loaded (pNIPAM)-b-(PCL) film has been studied. It is found that the DOX-loaded (pNIPAM)-b-(PCL) can efficiently kill the skin cancer cells. The porous polymer thin film reported in this work can be a versatile platform for the loading of drugs and it can be used for the various therapeutic applications.
}, keywords = {Biomaterials, Biomedical Applications, drug delivery systems, films, nanostructured polymers}, issn = {0021-8995}, doi = {10.1002/app.53854}, author = {Amgoth, Chander and Patra, Sukanya and Wasnik, Kirti and Maity, Pradip and Paik, Pradip} } @article {48772, title = {Conversion of benzyl phenyl ether to monoaromatics in high-temperature aqueous ethanol solution under high-pressure carbon dioxide conditions}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {JUL}, pages = {12561-12569}, type = {Article}, abstract = {
Solvolysis of benzyl phenyl ether (BPE), which is a model compound of lignin ether linkage, was studied in an aqueous ethanol solution, which can be obtained from bioethanol, under high-pressure carbon dioxide conditions. A batch study revealed that BPE solvolysis to monoaromatics (benzyl ethyl ether (BEE), benzyl alcohol (BA), and phenol (Ph)) proceeded in aqueous ethanol solution over 523 K and the addition of high-pressure carbon dioxide enhanced the initial solvolysis rate and suppressed the side reaction (hydrogenolysis to toluene (TL)). The ethanol molar fraction (ethanol-water volume ratio) is the key factor for the solvolysis reaction, and the highest monoaromatic yield of 72.9\% (BEE 10.7\%, BA 19.3\%, Ph 37.9\%, and TL 5.1\%) was obtained in aqueous ethanol solution (2 cm(3) : 1 cm(3) = water:ethanol) at 598 K for 3 h under a pressure of 18 MPa of carbon dioxide. The solvolysis reaction proceeded continuously to produce monoaromatics with a flow system. A monoaromatic yield of 76.7\% (BEE 8.6\%, BA 19.7\%, Ph 39.6\%, and TL 8.9\%) was obtained, and the formation rates were 2.7 x 10(-4) mmol min(-1) for BEE, 6.2 x 10(-4) mmol min(-1) for BA, and 12.4 x 10(-4) mmol min(-1) for Ph at 598 K under flowing water (26 mmol min(-1)), ethanol solution (4.1 mmol min(-1)), carbon dioxide (1.2 mmol min(-1)), and BPE (15.6 x 10(-4) mmol min(-1)) under a total pressure of 40 MPa.
}, issn = {1144-0546}, doi = {10.1039/d3nj01773g}, author = {Taniguchi, Kenkichi and Kusumawati, Etty N. and Nanao, Hidetaka and Rode, Chandrashekhar V. and Sato, Osamu and Yamaguchi, Aritomo and Shirai, Masayuki} } @article {48745, title = {Covalent organic framework cladding on peptide-amphiphile-based biomimetic catalysts}, journal = {Journal of the American Chemical Society}, volume = {145}, year = {2023}, month = {JUN }, pages = {12793-12801}, type = {Article}, abstract = {
Peptide-based biomimetic catalysts are promising materialsforefficient catalytic activity in various biochemical transformations.However, their lack of operational stability and fragile nature innon-aqueous media limit their practical applications. In this study,we have developed a cladding technique to stabilize biomimetic catalystswithin porous covalent organic framework (COF) scaffolds. This methodologyallows for the homogeneous distribution of peptide nanotubes insidethe COF (TpAzo and TpDPP) backbone, creating strong noncovalent interactionsthat prevent leaching. We synthesized two different peptide-amphiphiles,C10FFVK and C10FFVR, with lysine (K) and arginine(R) at the C-termini, respectively, which formed nanotubular morphologies.The C10FFVK peptide-amphiphile nanotubes exhibit enzyme-likebehavior and efficiently catalyze C-C bond cleavage in a buffermedium (pH 7.5). We produced nanotubular structures of TpAzo-C10FFVK and TpDPP-C10FFVK through COF claddingby using interfacial crystallization (IC). The peptide nanotubes encasedin the COF catalyze C-C bond cleavage in a buffer medium aswell as in different organic solvents (such as acetonitrile, acetone,and dichloromethane). The TpAzo-C10FFVK catalyst,being heterogeneous, is easily recoverable, enabling the reactionto be performed for multiple cycles. Additionally, the synthesis ofTpAzo-C10FFVK thin films facilitates catalysis inflow. As control, we synthesized another peptide-amphiphile, C10FFVR, which also forms tubular assemblies. By depositingTpAzo COF crystallites on C10FFVR nanotubes through IC,we produced TpAzo-C10FFVR nanotubular structuresthat expectedly did not show catalysis, suggesting the critical roleof the lysines in the TpAzo-C10FFVK.
}, issn = {0002-7863}, doi = {10.1021/jacs.3c03562}, author = {Kumar Mahato, Ashok and Pal, Sumit and Dey, Kaushik and Reja, Antara and Paul, Satyadip and Shelke, Ankita and Ajithkumar, Thalasseril G. and Das, Dibyendu and Banerjee, Rahul} } @article {48833, title = {Covalent organic framework thin-film photodetectors from solution-processable porous nanospheres}, journal = {Journal of the American Chemical Society}, volume = {145}, year = {2023}, month = {JAN}, pages = {1649-1659}, type = {Article}, abstract = {
The synthesis of homogeneous covalent organic framework (COF) thin films on a desired substrate with decent crystallinity, porosity, and uniform thickness has great potential for optoelectronic applications. We have used a solution-processable sphere transmutation process to synthesize 300 +/- 20 nm uniform COF thin films on a 2 x 2 cm2 TiO2-coated fluorine-doped tin oxide (FTO) surface. This process controls the nucleation of COF crystallites and molecular morphology that helps the nanospheres to arrange periodically to form homogeneous COF thin films. We have synthesized four COF thin films (TpDPP, TpEtBt, TpTab, and TpTta) with different functional backbones. In a close agreement between the experiment and density functional theory, the TpEtBr COF film showed the lowest optical band gap (2.26 eV) and highest excited-state lifetime (8.52 ns) among all four COF films. Hence, the TpEtBr COF film can participate in efficient charge generation and separation. We constructed optoelectronic devices having a glass/FTO/TiO2/COF-film/Au architecture, which serves as a model system to study the optoelectronic charge transport properties of COF thin films under dark and illuminated conditions. Visible light with a calibrated intensity of 100 mW cm-2 was used for the excitation of COF thin films. All of the COF thin films exhibit significant photocurrent after illumination with visible light in comparison to the dark. Hence, all of the COF films behave as good photoactive substrates with minimal pinhole defects. The fabricated out-of-plane photodetector device based on the TpEtBr COF thin film exhibits high photocurrent density (2.65 +/- 0.24 mA cm-2 at 0.5 V) and hole mobility (8.15 +/- 0.64 x10-3 cm2 V-1 S-1) compared to other as synthesized films, indicating the best photoactive characteristics.
}, issn = {0002-7863}, doi = {10.1021/jacs.2c09838}, author = {Bag, Saikat and Sasmal, Himadri Sekhar and Chaudhary, Sonu Pratap and Dey, Kaushik and Blaette, Dominic and Guntermann, Roman and Zhang, Yingying and Poloz, Miroslav and Kuc, Agnieszka and Shelke, Ankita and Vijayaraghavan, Ratheesh K. and Ajithkumar, Thalasseril G. and Bhattacharyya, Sayan and Heine, Thomas and Bein, Thomas and Banerjee, Rahul} } @article {48261, title = {Covalently interconnected layers in g-C3N4: toward high mechanical stability, catalytic efficiency and sustainability}, journal = {Applied Catalysis B: Environmental}, volume = {322}, year = {2023}, month = {MAR}, pages = {122069}, type = {Article}, abstract = {
The grim prospects for the industrial utilization of g-C3N4 nanosheets arise from multi-step processing resulting in low material yields and poor visible light response due to quantum confinement. Herein, we introduce a strategy for linking the adjacent layers of g-C3N4 covalently to realize a high surface area without excess mass loss in a one-step process by introducing diethylene glycol as a precursor that produces-(CH2)2-O-(CH2)2-linkers in-situ. Their presence increases interlayer spacing and introduces surface curvatures, discouraging the stacking of a larger number of layers to produce nanosheets with-3 times higher surface area. Interestingly, unlike other layered materials, the linkers also provide extraordinary mechanical stability against exfoliating forces. In addition, the process instills sub-bandgap states and a considerable visible light response at 500 nm to slow down the picosecond exciton recombination dynamics, resulting in-5 times enhancement in H2 generation efficiency from photocatalytic water-splitting over the bulk sample.
}, keywords = {Layer-linkers, Sustainable synthesis, Transient absorption spectroscopy, water-splitting}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2022.122069}, author = {Roy, Raj Sekhar and Mondal, Sanjit and Mishra, Samita and Banoo, Maqsuma and Sahoo, Lipipuspa and Kumar, Amit and Vinod, C. P. and De, Arijit K. and Gautam, Ujjal K.} } @article {49008, title = {Critical review on amorphous-crystalline heterostructured electrocatalysts for efficient water splitting}, journal = {Materials Chemistry Frontiers}, volume = {7}, year = {2023}, month = {DEC}, pages = {6254-6280}, type = {Review}, abstract = {
Introducing complementary active materials in tandem as heterostructures of various shapes and sizes can significantly improve the physicochemical properties of the developed materials. Recently, the use of amorphous materials in conjunction with crystalline moieties as highly efficient electrocatalysts for water-splitting electrolyzers has surged rapidly. Excellent bifunctional activity for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) can be achieved from amorphous-crystalline-based materials owing to their remarkably conductive crystalline phase as well as their long-range disordered amorphous phase. In addition, the high specific surface area, disordered structure, and enhanced structural stability can accommodate various defects and strains that develop during in situ electrochemical reactions. Consequently, amorphous materials can be used as both surface-confined and volume-confined electrocatalysts. Although crystalline materials have better electronic properties as well as higher thermal and mechanical stability, they suffer from limited activity due to only surface-confined electrocatalysis. In this regard, the judicious integration of crystalline and amorphous active materials suitable for the OER and HER can tremendously enhance their bifunctional electrocatalytic activities owing to their synergistic effects. The variety in the choice of amorphous and crystalline counterparts presents ample opportunities for further exploration of the development of amorphous-crystalline heterostructured materials with unique properties. However, considering the recent massive developments in the understanding and protocols for fabricating such heterostructures, a critical review is vital for further advancement in this direction. Although some review papers have focused only on amorphous materials, including their synthesis methods, properties, and applications, no critical review that provides an overview emphasizing amorphous-crystalline heterostructures for electrocatalytic water-splitting applications has been published. In this regard, this review aims to present comprehensive details on the recent developments in the fabrication of different amorphous-crystalline heterostructures, the choice of the composition of each component, and the resulting physicochemical properties for the OER, HER, and overall water-splitting. It provides an in-depth understanding of amorphous-crystalline material synthesis protocols, their selection rationale, and their targeted physicochemical properties. This review also provides thought-provoking ideas and long-term perspectives for future research. This review presents comprehensive details on recent developments in the fabrication of different amorphous-crystalline heterostructures, their compositions, and the resulting physicochemical properties for OER, HER, and overall water splitting.
}, doi = {10.1039/d3qm00940h}, author = {Singh, Manjinder and Cha, Dun Chan and Singh, Thangjam Ibomcha and Maibam, Ashakiran and Paudel, Dasu Ram and Nam, Dong Hwan and Kim, Tae Hyeong and Yoo, Sunghoon and Lee, Seunghyun} } @article {48963, title = {Cyclohexylamine -an efficient organocatalyst for the synthesis of 2-amino-4H-chromene derivatives by multicomponent reactions of salicylaldehydes, active methylene compounds and nitroalkanes}, journal = {Arkivoc}, year = {2023}, pages = {202312118}, type = {Article}, abstract = {
Cyclohexylamine was found to be an efficient organocatalyst for the synthesis of structurally diverse 2-amino4H-chromenes by multicomponent reaction of (substituted) salicylaldehydes, active methylene compounds and nitroalkanes at ambient temperature and under solvent-free conditions. The synthesis of a variety of 2amino-4H-chromenes was achieved using the reaction of (substituted) salicylaldehydes with two different C-H acids. The present protocol, which employed commercially available cyclohexylamine as an organocatalyst, offered the advantages of operational simplicity and avoidance of conventional purification methods and the obtained products were essentially pure.
}, keywords = {2-Amino-4H-chromene, active methylene compound, cyclohexylamine, organocatalyst}, issn = {1551-7004}, doi = {10.24820/ark.5550190.p012.118}, author = {Mitragotri, Satish D. and Khyadage, Poonam H. and Chorghade, Diksha S. and Kulkarni, Makarand A. and Wadagaonkar, Prakash P.} } @article {48825, title = {Dabrafenib-panobinostat salt: improving the dissolution rate and inhibition of BRAF melanoma cells}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {MAY }, pages = {18255-18265}, type = {Article}, abstract = {
Cocrystallization of the drug-drug salt-cocrystal of the histone deacetylase inhibitor (HDACi) panobinostat (PAN) and b-rapidly accelerated fibrosarcoma (BRAF) inhibitor dabrafenib (DBF) afforded single crystals of a two-drug salt stabilized by N+-H center dot center dot center dot O and N+-H center dot center dot center dot N- hydrogen bonds between the ionized panobinostat ammonium donor and dabrafenib sulfonamide anion acceptor in a 12-member ring motif. A faster dissolution rate for both drugs was achieved through the salt combination compared to the individual drugs in an aqueous acidic medium. The dissolution rate exhibited a peak concentration (Cmax) of approximately 310 mg cm-2 min-1 for PAN and 240 mg cm-2 min-1 for DBF at a Tmax of less than 20 min under gastric pH 1.2 (0.1 N HCl) compared to the pure drug dissolution values of 10 and 80 mg cm-2 min-1, respectively. The novel and fast-dissolving salt DBF-center dot PAN+ was analyzed in BRAFV600E melanoma cells Sk-Mel28. DBF-center dot PAN+ reduced the dose-response from micromolar to nanomolar concentrations and lowered IC50 (21.9 +/- 7.2 nM) by half compared to PAN alone (45.3 +/- 12.0 nM). The enhanced dissolution and lower survival rate of melanoma cells show the potential of novel DBF-center dot PAN+ salt in clinical evaluation.
}, issn = {2470-1343}, doi = {10.1021/acsomega.3c01881}, author = {Rai, Sunil K. and Marverti, Gaetano and Gunnam, Anilkumar and Allu, Suryanarayana and Nangia, Ashwini K.} } @article {48299, title = {D-A-D-based unsymmetrical thiosquaraine dye for the dye-sensitized solar cells(dagger)}, journal = {Photochemistry and Photobiology}, volume = {99}, year = {2023}, month = {MAR}, pages = {529-537}, type = {Article}, abstract = {
In dye-sensitized solar cell, modulating the electronic properties of the sensitizer by varying the donor, pi-spacer, acceptor and anchoring groups help optimizing the structure of the dye for better device performance. Here, a donor-acceptor-donor-based unsymmetrical thiosquaraine sensitizer (SQ5S) has been designed and synthesized. Photophysical, electrochemical, theoretical and photovoltaic characterizations of SQ5S dye have been compared with its oxygen analog, SQ5. The incorporation of the sulfur atom in the acceptor unit of SQ5S dye showed an intense peak at 688 nm, which was 38 nm of red-shifted and showed the panchromatic light harvesting response with the onset of 850 nm compared with SQ5 dye. The LUMO and HOMO energy levels are well aligned with the conduction band of TiO2 and the redox potential of electrolyte for the charge injection and the dye-regeneration processes, respectively. Photovoltaic efficiency of 1.51\% (V-OC 610 mV, J(SC) 3.07 mA cm(-2), ff 81\%) has been achieved for SQ5S dye, whereas SQ5 showed the device performance of 5.43\% (V-OC 723 mV, J(SC) 9.3 mA cm(-2), ff 80\%). The decreased device performance for the dye SQ5S has been attributed to the favorable intersystem crossing process associated with the photoexcited SQ5S that reduces the driving force for the charge injection process.
}, issn = {0031-8655}, doi = {10.1111/php.13769}, author = {Jadhav, Avinash P. and Singh, Ambarish Kumar and Maibam, Ashakiran and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {48823, title = {Design and development of multi-functional graphitic carbon nitride heterostructures embedded with copper and iron oxide nanoparticles as versatile sensing platforms for environmental and agricultural applications}, journal = {Ceramics International}, volume = {49}, year = {2023}, month = {JUN}, pages = {20688-20698}, type = {Article}, abstract = {
In the recent past, agrotechnology has witnessed a tremendous change due to the advent of technologies employed towards enhancing the yield and quality of the crops. The application of nanotechnology in agriculture is promoting sustainable practices and smart farming. Currently, nanomaterial-based sensors are gaining considerable attention in agrotechnology, such sensors can detect the environmental conditions and support for crop growth and enhances the agricultural yield. Graphiticcarbon nitride (g-C3N4), a soft polymer belongs to a class of 2-D semiconductors which are affordable, metal-free, indispensable for sensing applications due to significant changes in their conductivity upon exposure to analyte molecules in nano-regime. Further, this g-C3N4 can be combined with other nano metal oxides to form nanocomposites with remarkable properties and superior performance. In this work we report development of high-performance sensors based on graphitic carbon nitride embedded with copper and iron oxide nanoparticles. These heterostructures offers tremendous improvement in the physical and chemical properties due to the synergetic interactions between various phases. The chemiresistive sensor fabricated from these nanocomposites exhibit excellent sensitivity towards monitoring methane gas @ ppb level, relative humidity (\% RH), and soil moisture content. Owing to their excellent sensitivity, stability and selectivity, this graphitic carbon nitride embedded with Cu and Fe oxide nanoparticles could be potentially used as multifunctional sensors towards environmental monitoring and greenhouse conditions in agricultural applications.
}, keywords = {Agricultural sensors, CuO nanoparticles, Environmental monitoring, FeO nanoparticles, Graphitic carbon nitride}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2023.03.200}, author = {Khasim, Syed and Pasha, Apsar and Dastager, Syed G. and Panneerselvam, Chellasamy and Hamdalla, Taymour A. and Al-Ghamdi, S. A. and Alfadhli, S. and Makandar, Mohammad Basha and Albalawi, Jalal Bassam and Darwish, A. A. A.} } @article {48300, title = {Design and synthesis of 1,3-diynes as potent antifungal agents against aspergillus fumigatus}, journal = {ChemMedChem}, volume = {18}, year = {2023}, month = {MAY }, type = {Article}, abstract = {
Eugenol and isoeugenol, secondary metabolites isolated from the plant Myristica fragrans have displayed antifungal activities against Aspergillus fumigatus (IC50 1900 mu M). Compounds having conjugated unsaturation have been of great use as antifungals i. e. amphotericin B, nystatin and terbinafine etc. Hence, in the present study, we have designed and synthesised 1,3-diynes by utilizing Glaser-Hay and Cadiot-Chodkiewicz coupling reactions to furnish possible antifungal agents. Synthesis of 1,6-diphenoxyhexa-2,4-diyne derivatives was achieved by Cu(I) catalysed coupling of propargylated eugenol, isoeugenol, guaiacol, vanillin and dihydrogenated eugenol or eugenol in good to excellent yields. All the synthesized compounds were evaluated against pathogenic fungus A. fumigatus. Among all the synthesized compounds, one of the compounds was found to be exhibiting promising antifungal activity with IC50 value of 7.75 mu M thereby suggesting that this type of scaffold could pave the way for developing new antifungal agents. The most active compound was found to be low cytotoxic when assayed against L-132 cancer cell line. Effect of the most active compound on ergosterol biosynthesis has also been studied. Also, the most active compound exhibited significant anti-biofilm activity although the concentration was found to be higher than its anti-fungal activity. Morphological changes in the biofilm were remarkable under confocal laser scanning microscopy.
}, keywords = {1, 3-Diynes, Antifungal agents, Aspergillus fumigatus, Cadiot-Chodkiewicz, Glaser-Hay}, issn = {1860-7179}, doi = {10.1002/cmdc.202300013}, author = {Goswami, Lakshmi and Gupta, Lovely and Paul, Sayantan and Vijayaraghavan, Pooja and Bhattacharya, Asish K.} } @article {49145, title = {Design and synthesis of novel quinazolinyl-bisspirooxindoles as potent anti-tubercular agents: an ultrasound-promoted methodology}, journal = {Molecular Diversity }, volume = {27}, year = {2023}, month = {JUN}, pages = {1427-1436}, type = {Article}, abstract = {
The essential need for the potent anti-tubercular (anti-TB) agents with high selectivity and safety profile prompted us to synthesize a new series of quinazolinyl-bisspirooxindoles. The title compounds were synthesized by one-pot multicomponent [3 +2] cycloaddition reaction under ultrasonication. Further, in vitro anti-TB activity was evaluated against Mycobacterium tuberculosis H37Rv. Among the screened compounds, two compounds (4q and 4x) showed potent activity with MIC value 1.56 mu g/mL and four compounds exhibited significant activity (MIC =3.125 mu g/mL), and also cytotoxicity studies against RAW 264.7 cell lines reveal that most active compounds were less toxic to humans. In addition, in order to demonstrate the inhibitory properties, molecular docking studies were carried out and the results showed that the target compounds have good binding energy and better binding affinity within the active pocket, thus these compounds may consider to be as potent inhibitors toward selective targets.
}, keywords = {anti-tubercular activity, bisspirooxindoles, Cytotoxicity screening, Molecular docking studies, ultrasonication}, issn = {1381-1991}, doi = {10.1007/s11030-022-10500-x}, author = {Allaka, Bhargava Sai and Basavoju, Srinivas and Rekha, Estharla Madhu and Sriram, Dharmarajan and Krishna, Gamidi Rama} } @article {48303, title = {Design and synthesis of photocrosslinker and light blocker based on L-Amino acid polyester and their application in solvent-free resin formulation for DLP/SLA 3D printing}, journal = {Polymers}, volume = {270}, year = {2023}, month = {MAR }, pages = {125781}, type = {Article}, abstract = {
Customising material design for new technological applications like additive manufacturing (AM) is a challenging yet promising approach to create a palette of materials suitable for developing eco-friendly products. LGlutamic acid and L-aspartic acid based aliphatic, photocurable polyester crosslinkers were designed and developed and incorporated into a solvent-free photocurable resin formulation with hydroxyl (ethyl)methacrylate (HEMA). Proof-of-concept 3D printing of clear and transparent objects was demonstrated using digital light processing (DLP) and Stereolithography (SLA) techniques. Resolution of the 3D printed objects could be improved by incorporating a Dansyl labelled L-glutamic acid polyester, which not only aided in modulating the viscosity of the resin formulation but could also function as a light blocker, thereby avoiding polymerization of unwanted areas while 3D printing. The curing kinetics of the photocurable formulation was analyzed using photo differential Scanning Calorimetry. Enzymatic degradability studies of 3D printed films were undertaken in PBS buffer containing esterase enzyme and compared with 3D printed samples using HEMA and a commercial crosslinker (Trimethylolpropane triacrylate (TMPTA)). Scanning electron microscopy (SEM) was used to evaluate the morphology of the 3D printed films before and after enzymatic degradation in the PBS buffer for 60 days. The 3D printed amino acid crosslinked films of HEMA presented high degree of degradation in contrast to the near total absence of any degradation in the 3D printed film crosslinked using TMPTA. The availability of new photocurable formulations that are enzymatically degradable are highly sought after for 3D printing applications.
}, keywords = {3D printing, Crosslinker, L -Amino acid Polyester, Light blocker, Photocurable}, issn = {0032-3861}, doi = {10.1016/j.polymer.2023.125781}, author = {Kamble, Ganesh N. and Joshi, Dheeraj Chandra and Asha, S. K.} } @article {48474, title = {Design and synthesis of piano-stool ruthenium(II) complexes and their studies on the inhibition of amyloid ? (1-42) peptide aggregation}, journal = {International Journal of Biological Macromolecules}, volume = {239}, year = {2023}, month = {JUN }, pages = {124197}, type = {Article}, abstract = {
Misfolding , protein aggregation have been linked to numerous human neurodegenerative disorders such as Alzheimer{\textquoteright}s, prion , Parkinson{\textquoteright}s diseases. Ruthenium (Ru) complexes have received considerable attention in studying protein aggregation due to their interesting photophysical and photo properties. In this study, we have synthesized the novel Ru complexes ([Ru(p-cymene)Cl(L-1)][PF6](Ru-1), and [Ru(p-cymene)Cl(L-2)][PF6](Ru-2)) and investigated their inhibitory activity against the bovine serum albumin (BSA) aggregation and the A beta 1-42 peptides amyloid formation. Several spectroscopic methods were used to characterize these complexes, and the molecular structure of the complex was determined by X-ray crystallography. Amyloid aggregation and inhi-bition activities were examined using the Thioflavin-T (ThT) assay, and the secondary structures of the protein were analyzed by circular dichroism (CD) spectroscopy and transmission electron microscopy (TEM). The cell viability assay was carried out on the neuroblastoma cell line, revealing that the complex Ru-2 showed better protective effects against A beta 1-42 peptide toxicity on neuro-2a cells than the complex Ru-1. Molecular docking studies elucidate the binding sites and interactions between the Ru-complexes and A beta 1-42 peptides. The exper-imental studies revealed that these complexes significantly inhibited the BSA aggregation and A beta 1-42 amyloid fibril formation at 1:3 and 1:1 molar concentrations, respectively. Antioxidant assays demonstrated that these complexes act as antioxidants, protecting from amyloid-induced oxidative stress. Molecular docking studies with the monomeric A beta 1-42 (PDB: 1IYT) show hydrophobic interaction, and both complexes bind preferably in the central region of the peptide and coordinate with two binding sites of the peptide. Hence, we suggest that the Ru-based complexes could be applied as a potential agent in metallopharmaceutical research against Alzheimer{\textquoteright}s disease.
}, keywords = {Aggregation, Amyloid ?(1-42) peptide, DFT computation, Fibrillization, Molecular docking, Ruthenium complexes}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2023.124197}, author = {Singh, Sain and Navale, Govinda R. and Agrawal, Sonia and Singh, Haobam Kisan and Singla, Labhini and Sarkar, Dhiman and Sarma, Manabendra and Choudhury, Anghuman Roy and Ghosh, Kaushik} } @article {48822, title = {Design, synthesis, and in vitro biological evaluation of ROS-generating phenanthridin-trione-epoxide conjugates as agents against mycobacterium tuberculosis}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {JUL }, pages = {e202300416}, type = {Article}, abstract = {
Tuberculosis (TB) is one of the devasting infectious diseases and continues to spread among people despite having several specific drugs. Total eradication of TB is one of the shared interests of both the World Health Organization (WHO) and India globally. A library of antitubercular 6-((1-(aryl/heteroaryl)-1H-1,2,3-triazol-4-yl)methyl)oxireno[2,3-b] phenanthridine-5,7,9(6H,7aH,8aH)-trione (6 a-e) has been prepared in five steps including click chemistry and tested against active and dormant strains of Mycobacterium tuberculosis H37Ra using XRMA protocol. The result showed the inhibitory potential of 6 d IC50 at 0.74 \& mu;g/mL concentration against active strain and at 0.9 \& mu;g/mL against the dormant strain of Mtb. ROS generating ability of the compounds has been confirmed by luminol, H2O2, and glutathione assays. The molecular docking with the thioredoxin protein of Mtb showed a docking score of -9.6 Kcal/mol. To understand the mechanism with the thioredoxin protein of Mtb, the adduct formation of compounds with cystine was confirmed with HPLC. The involvement of lead molecules with existing drugs can be helpful in the eradication of tuberculosis.
}, keywords = {antimycobacterial agents, Computational docking, Cystine adduct, Epoxy-Phenanthridinone-triazoles, ROS generation}, issn = {2365-6549}, doi = {10.1002/slct.202300416}, author = {Mamgain, Ritu and Swami, Sagar and Sarkar, Dhiman and Srivastava, Pratibha} } @article {48288, title = {Designing an industrially viable bimetallic catalyst for the polyol synthesis}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {APR}, pages = {7548-7555}, type = {Article}, abstract = {
Designing new catalysts for the hydrogenation of sugars is important since the conventional catalyst RANEY (R) Ni faces issues such as leaching, operation under severe conditions (similar to 100 bar H-2) to achieve better yields and formation of complexes of Ni with polyols. To overcome these issues and to have an industrially acceptable methodology, bimetallic catalysts with varying metal loadings (Ru = 1.5 and 2 wt\% and Co = 1.5, 3, and 4 wt\%) were synthesized in the current work and their hydrogenation activities were evaluated for the synthesis of sugar alcohols from various sugars. It was revealed that the nature of the support plays an important role in deciding the selectivity and activity of the catalyst and amongst all the supports, basic alumina showed the best activity due to its contribution to the ring opening of sugars. C5 and C6 sugars were successfully hydrogenated to their respective sugar alcohols under low H-2 pressures (15 bar) and it was observed that as compared to the monometallic (1.5)Ru/Al-Basic catalyst, the bimetallic (1.5)Ru(3)Co/Al-Basic catalyst showed enhancement in the activity by almost 1.5 times. The improvement in the activity is suggested to be due to (i) observance of the synergistic effect between the base metal (Ru) and the promoter metal (Co); (ii) effect of basicity of the support; and (iii) electronic effect of Ru and Co. Recyclability of the catalysts and their efficiency to hydrogenate higher concentration substrate solutions (10-20 wt\%) make the overall process industrially attractive.
}, issn = {1144-0546}, doi = {10.1039/d3nj00044c}, author = {Kadam, Jyoti R. and Khan, Tufeil Sartaj and Dhepe, Paresh L.} } @article {48715, title = {Developing a feeding assay system for evaluating the insecticidal effect of phytochemicals on Helicoverpa armigera}, journal = {Jove-Journal of Visualized Experiments}, volume = {195}, year = {2023}, month = {MAY}, pages = {e65278}, type = {Article}, abstract = {
Helicoverpa armigera, a lepidopteran insect, is a polyphagous pest with a worldwide distribution. This herbivorous insect is a threat to plants and agricultural productivity. In response, plants produce several phytochemicals that negatively impact the insect{\textquoteright}s growth and survival. This protocol demonstrates an obligate feeding assay method to evaluate the effect of a phytochemical (quercetin) on insect growth, development, and survival. Under controlled conditions, the neonates were maintained until the second instar on a pre-defined artificial diet. These second-instar larvae were allowed to feed on a control and quercetin-containing artificial diet for 10 days. The insects{\textquoteright} body weight, developmental stage, frass weight, and mortality were recorded on alternate days. The change in body weight, the difference in feeding pattern, and developmental phenotypes were evaluated throughout the assay time. The described obligatory feeding assay simulates a natural mode of ingestion and can be scaled up to a large number of insects. It permits one to analyze phytochemicals{\textquoteright} effect on the growth dynamics, developmental transition, and overall fitness of H. armigera. Furthermore, this setup can also be utilized to evaluate alterations in nutritional parameters and digestive physiology processes. This article provides a detailed methodology for feeding assay systems, which may have applications in toxicological studies, insecticidal molecule screening, and understanding chemical effects in plant-insect interactions.
}, issn = {1940-087X}, doi = {10.3791/65278}, author = {Mohite, Sharada D. and Patil, Yogita P. and Nichit, Vikram J. and Joshi, Rakesh S.} } @article {48443, title = {Developing a mealybug pheromone monitoring tool to enhance IPM practices in New Zealand vineyards}, journal = {Journal of Pest Science}, volume = {96}, year = {2023}, month = {JAN}, pages = {29-39}, type = {Article}, abstract = {
Mealybugs are phloem-feeding insects found on many crops worldwide. In New Zealand vineyards, they transmit the economically important Grapevine leafroll-associated virus 3 (GLRaV-3). For some mealybug species, synthetic sex pheromones have been commercialised, and are used as monitoring tools. The mealybugs Pseudococcus longispinus and Pseudococcus calceolariae are major pests in many New Zealand vineyards. We present work on the development of a combined P. longispinus and P. calceolariae pheromone lure. The optimal dose for monitoring P. longispinus was found to be 10 mu g of the (S)-(+)-enantiomer, either alone or in the racemic mixture. Addition of the corresponding alcohol did not improve trap catch of P. longispinus. Both the P. longispinus and the P. calceolariae pheromone lures remained active in the field for 90 days. Combining the 2 species{\textquoteright} pheromones had no negative effects on male mealybug trap catch for either species. We conclude that the pheromone ester alone is the best lure for the male P. longispinus. Combining the two mealybug species{\textquoteright} pheromones into a single lure provides the New Zealand viticultural industry with an efficient monitoring tool. Late-vintage deployment of baited lures will provide information on mealybug abundance and local distribution that will inform the scope of future insecticide programmes, to target areas based on need rather than an area-wide application by default.
}, keywords = {Citrophilus mealybug, Integrated pest management (IPM), Long-tailed mealybug, monitoring, Pseudococcus calceolariae, Pseudococcus longispinus}, issn = {1612-4758}, doi = {10.1007/s10340-022-01504-5}, author = {Sullivan, Nicola J. and Bell, Vaughn A. and Butler, Ruth C. and Wallis, Roger and Ramesh, Remya and Reddy, D. Srinivasa and Twidle, Andrew M. and Bunn, Barry and Unelius, C. Rikard and Manning, Lee-Anne M. and Suckling, David M.} } @article {48915, title = {Development of multipurpose biomass-derived adsorbents using Coccinia grandis for removal of contaminants}, journal = {Clean Technologies and Environmental Policies }, volume = {25}, year = {2023}, month = {DEC}, pages = {3393-3405}, type = {Article}, abstract = {
The present study is an attempt to develop newer multipurpose biomass-derived adsorbents for water and wastewater treatment; biomass that are easily available, renewable and most importantly, sustainable. A model adsorbent was developed using Coccinia grandis (CG, Ivy gourd) and further modified by impregnating copper nanoparticles (CG-Cu). The adsorbent characterization was done for evaluating surface morphology, surface area and metal modification. The utility of the newer adsorbents was established for the removal of different contaminants such as dyes (cationic Malachite Green, anionic Congo Red and fluorescent cationic Rhodamine B), Active Pharmaceutical Ingredient pollutant (Ciprofloxacin) and also for the removal of pathogenic bacteria, Gram-negative Escherichia coli. Both CG and CG-Cu bio-nanocomposite were highly effective in removal of different contaminants, 99\% dye removal for Malachite Green, with a high adsorption capacity of 49 mg/g, higher than that for commercial activated charcoal whereas for all other dyes, the performance of CG-Cu was similar. The isotherm studies indicated multilayer adsorption, in general. A good adsorption capacity of 10.8 mg/g was also observed for the removal of ciprofloxacin. The combined effect of the bio-nanocomposite, CG-Cu was impressive and 100\% disinfection was achieved within 10 min, due to the antimicrobial activity of Cu and oxidation effect of reactive oxygen species enhancing the disinfection.Graphical abstractMultipurpose biomass derived adsorbents using Coccinia grandis for removal of contaminants
}, keywords = {Adsorption, Biomass, Disinfection, dye removal, nanomaterial, Separation}, issn = {1618-954X}, doi = {10.1007/s10098-023-02598-w}, author = {Raj, Surabhi S. and Mane, Maya B. and Thanekar, Pooja and Balapure, Kshama and Bhandari, Vinay M.} } @article {48736, title = {Differential membrane curvature induced by distinct protein conformers}, journal = {Soft Matter}, volume = {19}, year = {2023}, month = {JUN }, pages = {4021-4028}, type = {Article}, abstract = {
Membrane topology changes are associated with various cellular processes and are modulated by synergistic effects between lipid composition and membrane-associated proteins. However, how protein shape or conformational dynamics couples to membrane molecular properties remains unclear. In this work, we aim to investigate this coupling behavior using the curvature-inducing protein caveolin-1. We considered distinct protein conformers of the helical hairpin protein corresponding to different protein shapes, such as the wedge and the banana-shaped conformers. The different protein conformers were simulated in a coarse-grain representation in the presence of cholesterol-sphingomyelin rich membrane. We observed that membrane curvature is dependent on protein shape and is the lowest for the wedge conformer and maximal for the banana conformer. The differences in the net stress between the two membrane leaflets, calculated from the lateral pressure profile distributions in lipid bilayers for different protein conformers, show a similar trend. In conjunction, we show that cholesterol and sphingomyelin clustering in the membrane is modulated by protein shape. Overall, our results provide molecular-level insights into the coupling between membrane topology, protein shape and lipid clustering in cell membranes.
}, issn = {1744-683X}, doi = {10.1039/d3sm00218g}, author = {Malshikare, Hrushikesh and Prakash, Shikha and Sengupta, Durba} } @article {48679, title = {Direct amidation of acids in a screw reactor for the continuous flow synthesis of amides}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {JUL }, pages = {9231-9234}, type = {Article}, abstract = {
A simple and efficient solvent-free protocol for continuous flow synthesis of amides at room temperature is developed using easily available starting materials. N-(3-Dimethylaminopropyl)-N \& PRIME;-ethylcarbodiimide hydrochloride (EDC.HCl) was used as the reagent for the formation of an amide bond without using any metal catalyst or additives. A jacketed screw reactor when operated over a residence time of 30 300 s helped achieve almost complete conversion. This approach is extended for the synthesis of 36 derivatives and 2 bioactive molecules using different substrates having different aliphatic mono and di-acids as well as aromatic acids, including aromatic hetero-acid compounds and phenyl hydrazine. The target amide was scaled up to 100 g with an average 90\% yield.
}, issn = {1359-7345}, doi = {10.1039/d3cc02402d}, author = {Atapalkar, Ranjit S. and Kulkarni, Amol A.} } @article {48741, title = {Direct conversion of N-acetyl-d-glucosamine to N-containing heterocyclic compounds 3-acetamidofuran and 3-acetamido-5-acetyl Furan}, journal = {Waste and Biomass Valorization}, volume = {14}, year = {2023}, month = {DEC}, pages = {4201-4214}, type = {Article}, abstract = {
Purpose Effectual waste utilization from plant as well as marine biomass has gained tremendous importance with reference to sustainability. The valorization of marine biomass produces value added compounds containing not only C, H, O but also renewable N atom in the skeleton which widens the scope for its exploration which may prove to be economically beneficial to the society. Heterogeneous catalytic transformation of marine biomass i.e. N-acetyl glucosamine (NAG) to N-substituted aromatic heterocyclic furan derivatives is reported for the very first time. Cost effective and stable metal oxide catalysts were deployed for the transformation. Catalyst screening study showed that La2O3 was found to be an excellent catalyst for N-acetyl glucosamine (NAG) dehydration which mainly produced 3-acetamidofuran (3AF). Methods The physicochemical properties of the metal oxide catalyst were investigated by various techniques such as XRD, FTIR, MeOH-FTIR, TPD, SEM, N-2 sorption studies and HR-TEM analysis for structure activity relationship. Results The effect of various reaction parameters such as catalyst concentration, reaction temperature, reaction time and solvent effect on dehydration of N-acetyl glucosamine has been studied in detail for higher yields. The results revealed that the presence of weak basic sites which are Bronsted in nature and nano pores present on the surface were responsible for improved dehydration of the chitin biomass to selectively yield 3-acetamidofuran (3AF). La2O3 catalyst showed optimum 50\% 3AF yield from N-acetyl glucosamine at 180 degrees C in 3 h. Conclusion Efficacious exploitation of marine biomass to value added chemicals using heterogeneous catalysts can be extensively exploited. Separation of N-substituted heterocyclic aromatics is the most innovative aspect of the current study. Thus, utilization of heterogeneous catalyst and renewable biomass as a raw material indicates a transition towards more sustainable and greener approach.{GRAPHICAL ABSTRACT
}, keywords = {3-acetamido-5-acetylfuran, 3-acetamidofuran, dehydration, heterogeneous catalysis, Lanthanum oxide, N-acetyl-D-glucosamine, renewable feedstock}, issn = {1877-2641}, doi = {10.1007/s12649-023-02127-2}, author = {Shaikh, Samrin S. and Patil, Chetana R. and Lucas, Nishita and Bokade, Vijay V. and Rode, Chandrashekhar V.} } @article {48757, title = {Direct deoxygenation of α-hydroxy and α,β-dihydroxy ketones using a silyl lithium reagent}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {SEP}, pages = {14227-14235}, type = {Article}, abstract = {
A reliable method for the one-step direct deoxygenation of alpha-hydroxy ketones has been developed using a silyl lithium reagent and acetic anhydride. The method is metal-catalyst-free and does not require prefunctionalization of the hydroxy group prior to its removal. Deoxygenation of different primary, secondary, and tertiary alcohols was carried out with up to 98\% isolated yield. Additionally, double deoxygenation was achieved when the present method was applied to alpha,beta-dihydroxy ketones to access the corresponding enones in a single step.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c01613}, author = {Zade, Vishal M. and Gangnale, Laxmikant D. and Athawale, Paresh R. and Reddy, D. Srinivasa} } @article {48990, title = {Discovery of SARS-CoV-2 inhibitors featuring novel histidine α-nitrile motif}, journal = {Chemistry and Biodiversity }, volume = {20}, year = {2023}, month = {DEC}, type = {Article}, abstract = {
As COVID-19 infection caused severe public health concerns recently, the development of novel antivirals has become the need of the hour. Main protease (Mpro) has been an attractive target for antiviral drugs since it plays a vital role in polyprotein processing and virus maturation. Herein we report the discovery of a novel class of inhibitors against the SARS-CoV-2, bearing histidine alpha-nitrile motif embedded on a simple dipeptide framework. In-vitro and in-silico studies revealed that the histidine alpha-nitrile motif envisioned to target the Mpro contributes to the inhibitory activity. Among a series of dipeptides synthesized featuring this novel structural motif, some dipeptides displayed strong viral reduction (EC50=0.48 mu M) with a high selectivity index, SI\>454.54. These compounds also exhibit strong binding energies in the range of -28.7 to -34.2 Kcal/mol. The simple dipeptide structural framework, amenable to quick structural variations, coupled with ease of synthesis from readily available commercial starting materials are the major attractive features of this novel class of SARS-CoV-2 inhibitors. The histidine alpha-nitrile dipeptides raise the hope of discovering potent drug candidates based on this motif to fight the dreaded SARS-CoV-2.
}, keywords = {dipeptide inhibitors, histidine alpha-nitrile, M-pro (main protease), molecular dynamics, SARS-CoV-2}, issn = {1612-1872}, doi = {10.1002/cbdv.202300957}, author = {Gone, Nilu Vijay and Enayathullah, Mohammed Ghalib and Thomas, Jessie and Rathee, Parth and Prabhakar, Rajeev and Bokara, Kiran Kumar and Sanjayan, Gangadhar J.} } @article {48951, title = {Distortion-induced interfacial charge transfer at single cobalt atom secured on ordered intermetallic surface enhances pure oxygen production}, journal = {ACS Nano}, volume = {17}, year = {2023}, month = {NOV }, pages = {23169-23180}, type = {Journal Article}, abstract = {
In this work, atomic cobalt (Co) incorporation into the Pd2Ge intermetallic lattice facilitates operando generation of a thin layer of CoO over Co-substituted Pd2Ge, with Co in the CoO surface layer functioning as single metal sites. Hence the catalyst has been titled Co-1-CoO-Pd2Ge. High-resolution transmission electron microscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy confirm the existence of CoO, with some of the Co bonded to Ge by substitution of Pd sites in the Pd2Ge lattice. The role of the CoO layer in the oxygen evolution reaction (OER) has been verified by its selective removal using argon sputtering and conducting the OER on the etched catalyst. In situ X-ray absorption near-edge structure and extended X-ray absorption fine structure spectroscopy demonstrate that CoO gets transformed to CoOOH (Co3+) in operando condition with faster charge transfer through Pd atoms in the core Pd2Ge lattice. In situ Raman spectroscopy depicts the emergence of a CoOOH phase on applying potential and shows that the phase is stable with increasing potential and time without getting converted to CoO2. Density functional theory calculations indicate that the Pd2Ge lattice induces distortion in the CoO phase and generates unpaired spins in a nonmagnetic CoOOH system resulting in an increase in the OER activity and durability. The existence of spin density even after electrocatalysis is verified from electron paramagnetic resonance spectroscopy. We have thus successfully synthesized intermetallic supported CoO during synthesis and rigorously verified the role played by an intermetallic Pd2Ge core in enhancing charge transfer, generating spin density, improving electrochemical durability, and imparting mechanical stability to a thin CoOOH overlayer. Differential electrochemical mass spectrometry has been explored to visualize the instantaneous generation of oxygen gas during the onset of the reaction.
}, keywords = {DEMS, interfacial charge transfer, Intermetallic, long-termstability, operando spectroscopic techniques, Oxygen Evolution Reaction, structuraldistortion}, issn = {1936-0851}, doi = {10.1021/acsnano.3c09680}, author = {Mondal, Soumi and Riyaz, Mohd and Bagchi, Debabrata and Dutta, Nilutpal and Singh, Ashutosh Kumar and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48722, title = {Divergent synthesis of oxepino-phthalides and [5,5]-oxaspirolactones through [2+2+2]- and [2+3]-annulation of alkynyl alcohols with a-ynone-esters}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {AUG }, pages = {12597-12612}, type = {Article}, abstract = {
Unmasking the synthetic potential of alkyne functional group of alkynyl alcohols as surrogates of carbonyl compounds, herein we present the first Bronsted acid (TfOH)-catalyzed [2 + 2 + 2]-annulation of 4-pentyn-1-ols (possessing terminal alkyne) with a-ynone-esters to access tricyclic tetrahydro-oxepino-phthalides. Besides, an unprecedented synthesis of a-acetoaryl or a-alkynyl [5,5]-oxaspirolactones has been demonstrated by employing 4-pentyn-1-ols (possessing an internal alkyne) as an annulation partner, which proceeds through a divergent [2 + 3]-annulation pathway.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c01301}, author = {Kambale, Digambar A. and Borade, Balasaheb R. and Vinodkumar, Ramavath and Kontham, Ravindar} } @article {48705, title = {Does variation in composition affect dynamics when approaching the eutectic composition?}, journal = {Journal of Chemical Physics}, volume = {158}, year = {2023}, month = {MAR}, pages = {114203}, type = {Article}, abstract = {
Deep eutectic solvent is a mixture of two or more components, mixed in a certain molar ratio, such that the mixture melts at a temperature lower than individual substances. In this work, we have used a combination of ultrafast vibrational spectroscopy and molecular dynamics simulations to investigate the microscopic structure and dynamics of a deep eutectic solvent (1:2 choline chloride: ethylene glycol) at and around the eutectic composition. In particular, we have compared the spectral diffusion and orientational relaxation dynamics of these systems with varying compositions. Our results show that although the time-averaged solvent structures around a dissolved solute are comparable across compositions, both the solvent fluctuations and solute reorientation dynamics show distinct differences. We show that these subtle changes in solute and solvent dynamics with changing compositions arise from the variations in the fluctuations of the different intercomponent hydrogen bonds.
}, issn = {0021-9606}, doi = {10.1063/5.0139153}, author = {Chatterjee, Srijan and Chowdhury, Tubai and Bagchi, Sayan} } @article {48694, title = {Domain shuffling and site-saturation mutagenesis for the enhanced inhibitory potential of amaranthaceae α-amylase inhibitors}, journal = {Protein Journal}, volume = {42}, year = {2023}, month = {OCT}, pages = {519-532}, type = {Article}, abstract = {
Amaranthaceae a-amylase inhibitors (AAIs) are knottin-type proteins with selective inhibitory potential against coleopteran a-amylases. Their small size and remarkable stability make them exciting molecules for protein engineering to achieve superior selectivity and efficacy. In this report, we have designed a set of AAI pro- and mature peptides chimeras. Based on in silico analysis, stable AAI chimeras having a stronger affinity with target amylases were selected for characterization. In vitro studies validated that chimera of the propeptide from Chenopodium quinoa a-AI and mature peptide from Beta vulgaris a-AI possess 3, 7.6, and 4.26 fold higher inhibition potential than parental counterparts. Importantly, recombinant AAI chimera retained specificity towards target coleopteran a-amylases. In addition, to improve the inhibitory potential of AAI, we performed in silico site-saturation mutagenesis. Computational analysis followed by experimental data showed that substituting Asparagine at the 6th position with Methionine had a remarkable increase in the specific inhibition potential of Amaranthus hypochondriacus a-AI. These results provide structural-functional insights into the vitality of AAI propeptide and a potential hotspot for mutagenesis to enhance the AAI activity. Our investigation will be a toolkit for AAI{\textquoteright}s optimization and functional differentiation for future biotechnological applications.
}, keywords = {\& alpha, -Amylase, -Amylase inhibitors, Amaranthaceae, Coleoptera, Peptide, Pest control}, issn = {1572-3887}, doi = {10.1007/s10930-023-10148-y}, author = {Rane, Ashwini S. and Nair, Vineetkumar S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {48771, title = {Donor strapped perylene bisimide macrocycle and its lemniscate dimer with extended charge separation}, journal = {Inorganic Chemistry Frontiers}, volume = {10}, year = {2023}, month = {OCT }, pages = {5099-5107}, type = {Article}, abstract = {
Macrocyclic structures are fascinating due to their unique design and capability to place chromophores in specific orientations, resulting in exciting optoelectronic properties. However, the synthetic challenges limit the broad exploration of such systems. Herein, we report a thiophene-diacetylene-based ring strapped perylene bisimide macrocycle and its notably different electron transfer features. Single-crystal analysis of the macrocycle pointed to the nearly orthogonal placement of donor-acceptor units, facilitating better electronic communication between them. Interestingly, introduction of an alkyl substituent on the peripheral thiophene ring opened the possibility of forming a higher oligomer macrocycle consisting of two strapped perylene bisimide units. Diffusion and two-dimensional NMR experiments provided insight into the structure of the figure-eight-shaped lemniscate dimer. Transient absorption measurements showed faster electron transfer and extended stabilization of the charge-separated state. The thiophene-diacetylene-based ring is a better donor unit to facilitate rapid electron transfer and extended charge separation in the macrocycle and its lemniscate dimer. The new macrocycle design enables the formation of higher analogs equally capable of stabilizing the charge-separated state. Donor-acceptor (D-A) macrocycle designs position the respective units to achieve ultrafast electron transfer precisely and an extended charge-separated state. Here, we report a D-A macrocycle and its lemniscate dimer molecule with exciting electron transfer features.
}, issn = {2052-4129}, doi = {10.1039/d3qo01060k}, author = {Veer, Sairam Dnyaneshwar and Goswami, Tanmay and Ravindranathan, Sapna and Gonnade, Rajesh and Kharbanda, Nitika and Ghosh, Hirendra N. and Babu, Sukumaran Santhosh} } @article {48734, title = {Donor-acceptor-based two-dimensional polymer as a supercapacitor electrode with long cycling stability}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {OCT }, pages = {18049-18054}, type = {Article}, abstract = {
The high demand for energy and energy-storage devices urged organic 2D polymers as a potential candidate in this area. One of the major attractions of 2D polymers in electrochemical applications is their long cycling stability due to their rigid and porous structure. Herein, we developed a 2D polymer comprised of donor-acceptor units exhibiting reasonably good performance as a supercapacitor. The 2D polymer displayed a maximum specific capacitance of 218 F g-1 at a current rate of 0.1 A g-1, a higher power density of 4648.35 W kg-1, and an energy density of 7.05 W h kg-1. In a cycling stability test, it demonstrated a capacitance retention of 70\% over 10 000 continuous charge-discharge cycles at a current rate of 2.5 A g-1. Such long cycling stability was attributed to the donor-acceptor units and the crystalline nature of the polymer. The sensible selection of the building blocks of the 2D polymers is crucial for the performance and hence provides scope for improvement. An organic donor-acceptor-based 2D polymer, a promising candidate for energy storage devices, displays a specific capacitance of 218 F g-1, a power density of 4648.35 W kg-1, an energy density of 7.05 W h kg-1, and a capacitance retention of 70\% over 10 000 cycles.
}, issn = {1144-0546}, doi = {10.1039/d3nj02510a}, author = {Bhagyasree, T. M. and Puthiyaveetil, Priyanka Pandinhare and Kumar, Viksit and Asokan, Kiran and Sreekumar, K. and Babu, Sukumaran Santhosh} } @article {48796, title = {Double encapsulation of liquid active compounds using nanoclay reinforced polyurea microcapsules}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {679}, year = {2023}, month = {DEC}, pages = {132547}, type = {Article}, abstract = {
In recent years, there has been growing interest in the double encapsulation of drugs, agrochemicals, and fragrances, aiming to achieve the highest encapsulation efficiency and preserve the activity of the encapsulated core over an extended duration. However, when active ingredients in liquid form are double encapsulated, preventing the rupture of primary microcapsules during the second encapsulation process and the leakage of the encapsulated core are major challenges. This report describes a method that utilizes polyurea and starch for successful double encapsulation of dimethyl phthalate (DMP), a liquid insect-repellent, as a model active component. We demonstrate that the incorporation of 3 wt\% montmorillonite (MMT) nanoclay strengthens the polyurea wall of the primary microcapsule and prevents its rupture during double encapsulation with starch. This process facilitates the uniform distribution of polyurea microcapsules within the starch matrix and significantly improves the mechanical integrity of the nanocomposite microcapsules embedded in starch. The double-encapsulated system developed in this study significantly reduces the release rate of encapsulated DMP.
}, keywords = {Controlled release, Double encapsulation, Microcapsules, Microencapsulation, Nanocomposites, Starch matrix}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2023.132547}, author = {Aher, Yogeshwar P. and Torris, Arun and Adhikari, Benu and Shukla, Ravi and Shanmuganathan, Kadhiravan} } @article {48267, title = {Dual activity cavitation reactors for increased efficacy in degradation of refractory pollutants-A case study on cephalexin degradation}, journal = {Chemical Engineering Research \& Design}, volume = {192}, year = {2023}, month = {APR}, pages = {310-322}, type = {Article}, abstract = {
The present work discloses a new form of cavitation processes using reactors of dual activity for increased efficiency. A proof of concept is established for the degradation of a refractory pollutant-cephalexin using both conventional and dual function cavitation reactors for the first time using acoustic and hydrodynamic cavitation (HC). A vortex diode as a cavitating device was employed for HC using aluminium as a non-catalytic and copper as dual function device for providing additional catalytic effect. The process in-tensification using hydrogen peroxide (H2O2) coupled with the dual function devices was highly effective. A negligible degradation with only HC and 81\% for HC coupled with H2O2 in 60 min for Al-vortex diode compared to 100\% degradation in only 5 min for the copper device clearly demonstrates the order of magnitude enhancements establishing dual function due to catalytic activity. Also, pH modification (pH 11) yields enhancement over 300\% for Cu-vortex diode. The use of dual function reactors drastically reduces H2O2 do-sage. The overall enhancements in the per pass degradation and cavitation yields were huge, similar to 3000\% and 1450\% respectively, highlighting the potential of the dual function ca-vitation reactors in real-life applications, not just for increased efficiencies but also for significantly reduced costs.(c) 2023 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Advanced oxidation, Degradation, pollution, Technology, Wastewater treatment}, issn = {0263-8762}, doi = {10.1016/j.cherd.2023.02.037}, author = {Dixit, Divya and Thanekar, Pooja and Bhandari, Vinay M.} } @article {48301, title = {Dual routes toward observation of a trans-H2/hydride complex in an iridium pincer system and hydrogenation catalytic activity}, journal = {Organometallics}, volume = {42}, year = {2023}, month = {MAR}, pages = {441-456}, type = {Article}, abstract = {
The Abstraction of chloride from a six- coordinate complex, trans-[ Ir(H)(Cl)((iPr)4)(POCOP)(PPh3)] (1) [((iPr)4)(POCOP) = 2,6-bis(di-iso-propylphosphinito)benzene,kappa(3)-C6H3-1,3-[OP(Pr-i)(2 )](2)], using NaBAr4f leads to the generation of a dinitrogen complex, trans-[Ir(H)(N-2)((iPr)4)(POCOP)(PPh3)][BAr4f] (6). Addition of H-2 to [Ir(H)(N-2)((iPr)4)(POCOP)(PPh3)](+) (6) under extremely mild conditions (1 bar, 298 K) resulted in the reversible coordination of H-2 to generate the cis-[Ir(H)(eta H-2-(2))((iPr)4)(POCOP)(PPh3)](+) (cis-11) complex. The cis-[Ir(H)(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)](+) complex (cis-11) isomerized to a trans isomer, trans-[Ir(H)(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)](+) (trans-11), at 253 K. The isomerization process has been studied and supported by computations. Employing an alternative route, protonation of the trans-[Ir(H)(2)((iPr)4)(POCOP)(PPh3)] complex (2) at 183 K resulted in the formation of an identical, trans-[Ir(H)(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)](+) complex (trans-11); upon warming the sample, the trans-H-2/hydride complex isomerized to the cis isomer above 253 K. Two independent routes to obtain trans-[Ir(H)(eta(2)-H-2)((iPr)4)(POCOP)(PPh3)](+) (trans-11) species have been established. Reaction of trans-[Ir(H)(N-2)((iPr)4)(POCOP)(PPh3)][BAr4f] (6) with C2H4 gave the cis-[Ir(H)(eta(2)-C2H4)((iPr)4)(POCOP)(PPh3)](+) complex (cis-15), which also undergoes isomerization to yield an equilibrium mixture of cis/trans-[Ir(H)(eta(2)-C2H4)((iPr)4)(POCOP)(PPh3)](+) complexes (cis-15 and trans-15) at 253 K. The trans-[Ir(H)(N-2)((iPr)4)(POCOP)(PPh3)](+) complex (6) is an excellent catalyst for hydrogenation of ethylene to ethane under very mild conditions.
}, issn = {0276-7333}, doi = {10.1021/acs.organomet.2c00641}, author = {Agrawal, Nisha K. and Dash, Soumya R. and Vanka, Kumar and Jagirdar, Balaji R.} } @article {48787, title = {Dual-mode porous and highly graphitized 3D nitrogen-doped carbon network as an advance anode material for sodium-ion batteries}, journal = {Journal of Physical Chemistry C}, volume = {127}, year = {2023}, month = {JUL}, pages = {14053-14064}, type = {Article}, abstract = {
The practical application of hard carbons as the mostappealinganode material for sodium-ion batteries is hampered by their poorcycling and rate performances, emanating from poor electrochemicalstability, low electroconductivity, and sluggish Na+ transport.Designing a single remedial method for these challenges often involvescomplex and energy-intensive processes, contradicting the core conceptof cost-effectiveness for practical energy storage technology. Herein,we employed trifunctional silica (SiO2): as colloidal silicato ice template micron-sized pores, as a hard template for nanopores,and as a catalyst for the graphitization of carbon for the synthesisof a highly graphitized, efficiently nitrogen-doped, high-surface-area,three-dimensional porous carbon network (3D PNC) with dual-mode porosity(nanopores and micron-sized pores). As an anode material, the obtained3D PNC exhibits a reversible capacity of 262 mAh g(-1) at a current density of 100 mA g(-1), an ultrahighrate capability of 173 mAh g(-1) at 1 A g(-1), and a stable cycling life of 1000 cycles at a high current densityof 100 mA g(-1) with almost 100\% capacity retention.The galvanostatic intermittent titration technique (GITT) revealsfacile sodium diffusion kinetics with an average diffusion coefficientof an order of \& SIM;10(-9) (cm(2) s(-1)), which is fairly low compared to most reported HCanodes for SIBs. This work demonstrates how a merger of two or moresynthesis methodologies can be employed for the advanced microstructureengineering of carbon materials, opening up new avenues for the rationaldesign of anode materials in SIBs.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.3c01773}, author = {Dar, Mudasir and Suresh, Karthika and Majid, Kowsar and Wahid, Malik} } @article {48675, title = {Dynamic heterogeneity in polydisperse systems: a comparative study of the role of local structural order parameter and particle size}, journal = {Journal of Chemical Physics}, volume = {159}, year = {2023}, month = {JUL}, pages = {044501}, type = {Article}, abstract = {
In polydisperse systems, describing the structure and any structural order parameter (SOP) is not trivial as it varies with the number of species we use to describe the system, M. Depending on the degree of polydispersity, there is an optimum value of M = M-0 where we show that the mutual information of the system increases. However, surprisingly, the correlation between a recently proposed SOP and the dynamics is highest for M = 1. This effect increases with polydispersity. We find that the SOP at M = 1 is coupled with the particle size, s, and this coupling increases with polydispersity and decreases with an increase in M. Careful analysis shows that at lower polydispersities, the SOP is a good predictor of the dynamics. However, at higher polydispersity, the dynamics is strongly dependent on s. Since the coupling between the SOP and s is higher for M = 1, it appears to be a better predictor of the dynamics. We also study the Vibrality, an order parameter independent of structural information. Compared to SOP, at high polydispersity, we find Vibrality to be a marginally better predictor of the dynamics. However, this high predictive power of Vibrality, which is not there at lower polydispersity, appears to be due to its stronger coupling with s. Therefore, our study suggests that for systems with high polydispersity, the correlation of any order parameter and s will affect the correlation between the order parameter and dynamics and need not project a generic predictive power of the order parameter.
}, issn = {0021-9606}, doi = {10.1063/5.0156794}, author = {Patel, Palak and Sharma, Mohit and Bhattacharyya, Sarika Maitra} } @article {48916, title = {Dynamics of drop formation in the presence of interfacial mass transfer}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {AUG}, pages = {12627-12639}, type = {Article}, abstract = {
The dynamics of drop formation have been investigated in the presence of interfacial mass transfer through controlled flow visualization experiments. The mixtures of n-hexane (solvent) and acetone (solute) were used as a dispersed phase, having different initial compositions varying over a broad range. Drops were formed at the submerged position in the continuous phase (water) at the same operating flow conditions. The unsteady force balance model is developed to analyze the implications of the simultaneously occurring interfacial transfer of the solute on the formation dynamics in real time, and predictions are validated with experimental results. Based on initial compositions, the analysis of the transient drop shape shows a sharp transition in the drop formation regime. At lower initial solute concentrations, i.e., phi(0) \< 0.2, axisymmetric drop formation occurs and the interfacial solute transfer has negligible effects on the formation dynamics. Over an intermediate range of solute concentrations, i.e., 0.2 \< phi(0) \< 0.5, Marangoni instability is triggered along the evolving interface, and therefore, the interface deformations and contractions occur during the drop formation. At phi(0) = 0.5, the drop takes highly nonaxisymmetric shapes and remains away from equilibrium until its detachment from an orifice. For phi(0) \> 0.5, the spontaneous ejection of plumes of the solute results in the rapid generation of multiple droplets of smaller size. This work shows that higher solute concentration gradients not only lead to faster solute transport but also induce strong interfacial instability simultaneously. Thus, the coupled effects of transient change in composition and fluid properties govern the drop size and its formation time in such systems under non-equilibrium.
}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c01309}, author = {Khan, Muzammilanwar S. and Kulkarni, Amol A.} } @article {48830, title = {Early cellular events and potential regulators of cellulase induction in Penicillium janthinellum NCIM 1366}, journal = {Scientific Reports}, volume = {13}, year = {2023}, month = {MAR}, pages = {5057}, type = {Article}, abstract = {
Cellulase production by fungi is tightly regulated in response to environmental cues, and understanding this mechanism is a key pre-requisite in the efforts to improve cellulase secretion. Based on UniProt descriptions of secreted Carbohydrate Active enZymes (CAZymes), 13 proteins of the cellulase hyper-producer Penicillium janthinellum NCIM 1366 (PJ-1366) were annotated as cellulases- 4 cellobiohydrolases (CBH), 7 endoglucanases (EG) and 2 beta glucosidases (BGL). Cellulase, xylanase, BGL and peroxidase activities were higher for cultures grown on a combination of cellulose and wheat bran, while EG was stimulated by disaccharides. Docking studies indicated that the most abundant BGL- Bgl2- has different binding sites for the substrate cellobiose and the product glucose, which helps to alleviate feedback inhibition, probably accounting for the low level of glucose tolerance exhibited. Out of the 758 transcription factors (TFs) differentially expressed on cellulose induction, 13 TFs were identified whose binding site frequencies on the promoter regions of the cellulases positively correlated with their abundance in the secretome. Further, correlation analysis of the transcriptional response of these regulators and TF-binding sites on their promoters indicated that cellulase expression is possibly preceded by up-regulation of 12 TFs and down-regulation of 16 TFs, which cumulatively regulate transcription, translation, nutrient metabolism and stress response.
}, issn = {2045-2322}, doi = {10.1038/s41598-023-32340-x}, author = {Christopher, Meera and Sreeja-Raju, Athiraraj and Abraham, Amith and Gokhale, Digambar Vitthal and Pandey, Ashok and Sukumaran, Rajeev K.} } @article {48257, title = {Effect of acidity and mesoporosity in H-USY on conversion of wheat straw to ethyl levulinate (Biofuel additive)}, journal = {Journal of the Indian Chemical Society}, volume = {100}, year = {2023}, month = {FEB}, pages = {100883}, type = {Article}, abstract = {
Cold flow properties of biodiesel can be improved by addition of additives especially ethyl levulinate (EL up to 20\%). There are very limited information on synthesis of EL from actual raw biomass like wheat straw over heterogeneous catalyst. The present article elaborated on optimization of Acidity to Mesoporosity ratio in H-USY, which is crucial for its application in conversion of raw wheat straw to selective formation of EL in one-step. The acidity and mesoporosity is monitor by systematic post treatment of desilication and dealumination. Optimum acidity/mesoporosity ratio of 3.6 in HUSY resulted in to maximum EL yield of 24.5\%, which is probably the highest so far.
}, keywords = {Acidity, Biofuel additive, Dealumination, Desilication, ethyl levulinate, H-USY, Mesoporosity, Wheat straw}, issn = {0019-4522}, doi = {10.1016/j.jics.2023.100883}, author = {Heda, Jidnyasa and Niphadkar, Prashant and Nandanwar, Sachin and Bokade, Vijay} } @article {48762, title = {Effect of charge and solvation shell on non-radiative decay processes in s-block cationic metal ion water clusters}, journal = {Journal of Chemical Physics}, volume = {159}, year = {2023}, month = {AUG }, pages = {054304}, type = {Article}, abstract = {
Intermolecular Coulombic decay or electron transfer-mediated decay are the autoionization processes through which a molecule can relax. This relaxation is only possible if the inner valence{\textquoteright}s ionization potential (IP) exceeds the system{\textquoteright}s double ionization potential (DIP). To study the effects of charge and solvation shell, we have calculated the IP, DIP values, and lifetime of Na-2s and Mg-2s temporary bound states in various optimized structures of Na+-(H2O)(n) and Mg2+-(H2O)(n) (n = 1-5) micro-solvated clusters, where n water molecules are distributed in a way that some are directly bound to the metal ion and the rest to the water molecules. The first and second solvation shells are the names for the former and the latter water-binding positions, respectively. For a given n, the lifetime of decaying states is longer when water molecules are in the second solvation shell. We found that the Mg-2p state can decay for all n values in Mg2+-(H2O)(n) clusters, whereas the Na-2p state{\textquoteright}s decay is possible for n \>= 2 in Na+-(H2O)(n) clusters. Our findings highlight the influence of metal ions{\textquoteright} charge, different solvation shell structures, and the number of water molecules on the decay rate. These systems are relevant to the human body, which makes this study significant.
}, issn = {0021-9606}, doi = {10.1063/5.0153598}, author = {Kumar, Ravi and Ghosh, Aryya and Vaval, Nayana} } @article {48731, title = {Effect of microwave heating on the residence time distribution in a tubular reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {62}, year = {2023}, month = {AUG }, pages = {19381-19389}, type = {Article}, abstract = {
Microwave(MW) heating has been revolutionary in various applications,including chemical synthesis. A nonconventional heating approach reducesthe reaction time significantly. For a continuous flow tubular reactorunder microwaves, the temperature would change from the inlet to theoutlet depending on the dielectric constant of the reaction mass,which would further change the physical properties, viz., the densityand viscosity of the material. Such changes in the physical propertieswould lead to nonideal flows and would affect the conversion as wellas selectivity for reactions. In order to understand the extent ofsuch a nonideality, here for the first time we have done systematicstudies of the residence time distribution in a helical coil reactor.The axial dispersion model has been modified to take into accountthe temperature-dependent physical properties of the fluid. The empiricalcorrelation for the dispersion number is obtained over the range of450 \& LE; P (W) \& LE; 1200 and 60 \& LE; T (\& DEG;C) \& LE; 150. This study will help model thereaction kinetics as well as reactor design under microwave specificallyfor heat sensitive reactions where variations in the overall residencetime would affect the yield and selectivity of the end product.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c01243}, author = {Sonawane, Jayesh R. and Kulkarni, Amol A.} } @article {48444, title = {Effect of protonation and deprotonation on electron transfer mediated decay and interatomic coulombic decay}, journal = {ChemPhysChem}, volume = {24}, year = {2023}, month = {JAN}, type = {Article}, abstract = {
Electronically excited atoms or molecules in an environment are often subject to interatomic/intermolecular Coulombic decay (ICD) and/or electron transfer mediated decay (ETMD) mechanisms. A few of the numerous variables that can impact these non-radiative decay mechanisms include bond distance, the number of nearby atoms or molecules, and the polarisation effect. In this paper, we have studied the effect of protonation and deprotonation on the ionization potential (IP), double ionization potential (DIP), and lifetime (or decay width) of the temporary bound state in these non-radiative decay processes. We have chosen LiH-NH3 and LiH-H2O as test systems. The equation of motion coupled cluster singles and doubles method augmented by complex absorbing potential (CAP-EOM-CCSD) has been used in calculating the energetic position of the decaying state and the system{\textquoteright}s decay rate. Deprotonation of LiH-NH3/LiH-H2O either from the metal center (LiH) or from ammonia/water lowers the IP and DIP compared to the neutral systems. In contrast, protonation increases these quantities compared to neutral systems. The protonation closes the inner valence state relaxation channels for ICD/ETMD. For example, the decay of the O-2s/N-2s state stops in protonated systems (LiH2+-H2O, LiH2+-NH3, and LiH-NH4+). Our study also shows that the efficiency, i. e., the rate of ICD/ETMD, can be altered by protonation and deprotonation. It is expected to have implications for chemical and biological systems.
}, issn = {1439-4235}, doi = {10.1002/cphc.202200340}, author = {Kumar, R. and Vaval, N.} } @article {48821, title = {The effect of substituents on the aggregation-induced emission of 9,10-phenanthraquinone-hydrazones}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {AUG }, pages = {15066-15075}, type = {Article}, abstract = {
Organic luminophores, particularly \& pi;-conjugated systems, have become crucial in modern optoelectronic devices that utilise luminescence as an output signal, requiring aggregate or solid-states, such as nanoparticles, thin films, or crystals. Herein, we report the one-step synthesis of six hydrazone derivatives using condensation reactions between 9,10-phenanthrenedione and different aromatic hydrazines, comprising electron-donating/electron-withdrawing groups and a quinoline moiety. The introduction of a conjugated \& pi;-system leads to complete co-planarization of molecules resulting in large bathochromic shifts in their absorption profile, the maximum red-shifts ever observed for the hydrazones. These hydrazones are weakly fluorescent in dilute acetonitrile solutions. However, they exhibit enhanced emissions of up to 300-fold in aggregated states. Dynamic light scattering (DLS) and scanning electron microscopy (SEM) studies support nanoaggregate formation. All the compounds exhibit red to NIR emissions in their crystalline state with as high as 75\% quantum efficiency.
}, issn = {1144-0546}, doi = {10.1039/d3nj02198j}, author = {Kumar, M. Naveen and Lyngkhoi, Deikrisha Lyngdoh and Gaikwad, Sudhakar and Samanta, Debabrata and Khatua, Snehadrinarayan and Pramanik, Susnata} } @article {48777, title = {Effective distribution of gold nanorods in ordered thick mesoporous silica: a choice of noninvasive theranostics}, journal = {ACS Applied Materials \& Interfaces}, volume = {15}, year = {2023}, month = {OCT }, pages = {47615-47627}, type = {Article}, abstract = {
Porous silica coated gold nanorod core-shell structures demonstrate a multifunctional role in bioimaging, drug delivery, and cancer therapeutics applications. Here, we address a new approach for effective distribution of gold nanorods (GNRs) in a mesoporous silica (MS) shell, viz., one nanorod in one silica particle (GMS). We have studied that silica coating presents major advantages for the better biocompatibility and stability of GNRs. In this study, two different thicknesses of silica shell over GNRs have been discussed as per the application{\textquoteright}s need; GNRs in thin silica (11 nm) are fit for phototherapy and bioimaging, whereas thick and porous silica (51 nm) coated gold nanorods are suitable for triggered drug delivery and theranostics. However, effective distribution of GNRs in ordered architecture of thick mesoporous silica (MS, more than 50 nm thickness) with high surface area (more than 1000 m(2)/g) is not well understood so far. Here, we present methodical investigations for uniform and highly ordered mesoporous silica coating over GNRs with tunable thickness (6 to 51 nm). Judicious identification and optimization of different reaction parameters like concentrations of silica precursor (TEOS, 1.85-43.9 mM), template (CTAB, 0.9-5.7 mM), effect of temperature, pH (8.6-10.8), stirring speed (100-400 rpm), and, most importantly, the mode of addition of TEOS with GNRs have been discussed. Studies with thick, porous silica coated GNRs simplify the highest ever reported surface area (1100 m(2)/g) and cargo capacity (57\%) with better product yield (g/batch). First and foremost, we report a highly scalable (more than 500 mL) and rapid direct deposition of an ordered MS shell around GNRs. These engineered core-shell nanoparticles demonstrate X-ray contrast property, synergistic photothermal-chemotherapeutics, and imaging of tumor cell (96\% cell death) due to released fluorescent anticancer drug molecules and photothermal effect (52 degree celsius) of embedded GNRs. A deeper insight into their influence on the architectural features and superior theranostics performances has been illustrated in detail. Hence, these findings indicate the potential impact of individual GMS for image guided combination therapeutics of cancer.
}, keywords = {CombinationTherapy, Contrast Agent, Core-ShellStructure, GoldNanorods, Imaging, Mesoporous silica, Nanoparticles, TheranosticsIntervention}, issn = {1944-8244}, doi = {10.1021/acsami.3c06108}, author = {Prasad, Rajendra and Selvaraj, Kaliaperumal} } @article {48688, title = {Effective valorization of blackstrap molasses to poly gamma glutamic acid (γ-PGA) using L-glutamic acid independent feeding approach and its significance as drought mitigator in wheat plant}, journal = {Industrial Crops and Products}, volume = {202}, year = {2023}, month = {OCT}, pages = {116985}, type = {Article}, abstract = {
One of the finest approaches towards sustainable waste management is its effective valorization to value-added products (VAPs). Waste valorization is garnering considerable attention since it delivers substantial advantages, including environmental stability and a sustainable and viable platform for producing different VAPs. One such VAP is the poly gamma glutamic acid (\& gamma;- PGA), an extortionate biopolymer known to date. Its exorbitant cost is the main barrier preventing \& gamma;- PGA from becoming commercially viable. Hence, the key to the successful commercialization of \& gamma;- PGA is its sustainable and cost-effective production. In the present study, the ability of Bacillus paralicheniformis NCIM 5769 to utilize molasses for \& gamma;-PGA production with minimal nutrients was investigated. Results showed that 30\% molasses combined with 2\% ammonium nitrate was the optimal medium for \& gamma;-PGA production. Additionally, the anti-drought activity of the synthesized \& gamma;-PGA was evaluated on wheat plants showing significantly higher shoot length, biomass content, and germination rate compared to the control group. These findings suggest that \& gamma;-PGA produced from molasses has the potential to be used as a drought mitigator in wheat plant, thereby achieving the mission of circular economy and sustainable development goal (SGD) 12, i.e. pursuing sustainability patterns for consumption \& production.
}, keywords = {Anti-drought, circular economy, Poly gamma glutamic acid, Sustainable, Waste valorization}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2023.116985}, author = {Nair, Pranav G. and Dharne, Mahesh S.} } @article {48294, title = {Efficient and convenient heterogeneous Cu/MCM-41 catalyst for the synthesis of 7,10,11,12-tetrahydrobenzo[c]acridin-8(9H)-one derivatives}, journal = {Research on Chemical Intermediates}, volume = {49}, year = {2023}, month = {APR}, pages = {1581-1600}, type = {Article}, abstract = {
An efficient and convenient method for synthesis of 7,10,11,12-tetrahydrobenzo[c]acridin-8(9H)-one derivatives using Cu/MCM-41 (20 mg) as heterogeneous catalyst. The advantages have an excellent product yield within a short time and easy work-up procedure, and the products have directly recrystallized from hot methanol with cost-effective catalyst. One-pot three-component reaction from aromatic aldehydes, cyclic 1,3-dicarbonyl compounds, and 1-naphthyl amine has been carried under ethanol as a solvent with reflux condition. Moreover, the catalyst can be recovered conveniently and reused efficiently, and recyclable. [GRAPHICS] .
}, keywords = {Benzo[c]acridine, dimedone, Heterogeneous Cu/MCM-41 catalyst, Multicomponent one-pot reaction}, issn = {0922-6168}, doi = {10.1007/s11164-023-04962-3}, author = {Dhengale, Shankar D. and Bhosale, Tanaji R. and Shinde, Sachin B. and Rode, Chandrashekhar V. and Kolekar, Govind B. and Anbhule, Prashant V.} } @article {48958, title = {Efficient olefin epoxidation with high turnover rates over ordered mesoporous silica nanoparticles with uniform manganese sites}, journal = {Microporous and Mesoporous Materials }, volume = {362}, year = {2023}, month = {DEC}, type = {Journal Article}, abstract = {
Olefin epoxidation has been studied over a series of mesoporous manganese silicate nanoparticles and tBuOOH. Partial substitution of Si by Mn in silica framework leads to highly dispersed, distorted Mn(III) sites, confirmed by various physicochemical analyses. High conversion and stable styrene oxide, stilbene oxide and epoxy cyclohexane yield have been achieved with MS75 with 1:1.5 ratio of olefin: oxidant. However, at faster reaction rates lower styrene oxide yield is observed at lower Mn-containing catalyst (MS100). High TON, TOF over manganese sites shows accessible monomeric Mn sites. Attributed to high reactant density at redox-active Mn silicate sites due to facile diffusion across shallow pore depth channels of nanoparticulate om-MSx and surface hydrophobic characteristics. The catalysts were found to be stable under recycling and filtration experiments. The excellent stability against leaching of active manganese species indicates stable sites and good textural properties in om-MSx, essential for extended activity.
}, keywords = {epoxidation, Manganese silicates, Mesoporous silica nanoparticles, Ordered mesoporous silica, pH adjustment}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2023.112800}, author = {Negi, Sanjay Singh and Khatri, Prateek and Singh, Anand Pal} } @article {48909, title = {Efficient synthesis of optically active herbicide (S)-metolachlor via reductive ring opening of 2-methoxymethylaziridine}, journal = {Arkivoc}, year = {2023}, month = {JUL}, type = {Article}, abstract = {
An efficient synthesis of a well known chiral herbicide, (S)-metolachlor has been described using 2methoxymethylaziridine ring formation and reductive ring opening as key steps using commercially available (R)-epichlorohydrin. The present protocol delivers the required enantiomer of metolachlor in overall yield of 50.8\% and high enantiopurity (\>99\%).
}, keywords = {Aziridine, Epoxide, Epoxide ring opening, herbicide synthesis, Metolachlor}, issn = {1551-7004}, doi = {10.24820/ark.5550190.p011.954}, author = {Nalla, Viswanadh and Mujahid, Mohammad and Sasikumar, Murugesan and Mujumdar, Prashant and Muthukrishnan, Murugan} } @article {48949, title = {Electrocatalytic hydrogen evolution mediated by an organotelluroxane macrocycle stabilized through secondary interactions}, journal = {Dalton Transaction }, volume = {52}, year = {2023}, month = {NOV }, pages = {17242-17248}, type = {Journal Article}, abstract = {
A discrete liphophilic organotelluroxane macrocycle has been found to catalyse the hydrogen evolution reaction (HER) by proton reduction efficiently. The macrocycle is synthesized via chloride abstraction from bis(p-methoxyphenyl) tellurium dichloride (p-MeOC6H5)2TeCl2 (1) by silver salts AgMX4 (MX4 = BF4-, and ClO4-) resulting in in situ generated di-cationic tetraorganoditelluroxane units; two such units are held together by two weak anions mu 2-MX4, bridging to form 12-membered di-cationic macrocycles [((p-MeO-C6H4)2Te)2(mu-O)(mu 2-F2BF2)2]2+ (2) and [((p-MeO-C6H4)2Te)2(mu-O)(mu 2-O2ClO2)2]2+ (3) stabilized via Te-(mu 2-BF4/ClO4), with secondary interactions. The charge is balanced by the presence of two more anions, one above and another below the plane of the macrocycle. Similar reaction at higher temperatures leads to the formation of telluronium salts R3TeX [X = BF4- (4), ClO4- (5)] as a major product. The BF4- anion containing macrocycle and telluronium salt were monitored using 19F NMR. HRMS confirmed the structural stability of all the compounds in the solution state. The organotelluroxane macrocycle 2 has been found to act as an efficient electrocatalyst for proton reduction in an organic medium in the presence of p-toluene sulfonic acid as a protic source. A discrete liphophilic organotelluroxane macrocycle has been found to catalyse hydrogen evolution reaction (HER) by proton reduction efficiently.
}, keywords = {Anion Transport, Proton-Reduction}, issn = {1477-9226}, doi = {10.1039/d3dt02746e}, author = {Narsimhulu, Gujju and Samuel, Calvin and Palani, Sathishkumar and Dasari, Sai Hemant Kumar and Krishnamoorthy, Kothandam and Baskar, Viswanathan} } @article {48327, title = {Electrocatalytic nitrogen reduction on defective graphene modulated from single atom catalyst to aluminium clusters}, journal = {Applied Surface Science}, volume = {623}, year = {2023}, month = {JUN }, pages = {157024}, type = {Article}, abstract = {
Density Functional Theory (DFT) investigation on the most earth-abundant Al-based catalysts, has been conducted detailing its electronic properties and catalytic efficacy for nitrogen reduction at ambient condition. The Al-based catalysts have been modulated to perform as par a highly performing, but rare, Ru-single atom catalytic center by varying number of Al atoms, shape, and size. The coalesce of band-center, work function and electronic properties in metal atom catalysts along with N-N bond activation has been demonstrated to be responsible for an efficient nitrogen reduction reaction (NRR) with Delta Gmax of 0.78 eV in Al5 supported on N-doped double vacancy graphene (Al5@N4-DVG) catalyst. Electron localization function analysis has shown a weak physisorption of N2 in the Al-based catalysts. Projected Density of States (PDOS) illustrates the enhancement of aluminium electron density in Al5@N4-DVG led to enhanced orbital densities overlap of Alp and Np electrons. The Bader charge analysis and electronic analysis of the intermediates show efficient electron gain on the N atoms, leading to formation of NH3 from the NxHy intermediates in Al5@N4-DVG catalyst.
}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2023.157024}, author = {Maibam, Ashakiran and Krishnamurty, Sailaja and BabaRao, Ravichandar} } @article {48676, title = {Electrode|electrolyte interface enhancement in quasi-solid-state zinc-air batteries through an anion conducting polymer electrolyte interlayer by in situ polymerization}, journal = {Journal of Materials Chemistry A}, volume = {11}, year = {2023}, month = {JUL}, pages = {14776-14787}, type = {Article}, abstract = {
This work introduces a novel concept of electrode|electrolyte interface enhancement using an ultraviolet (UV) light-assisted in situ polymerization strategy to improve the performance of quasi-solid-state zinc-air batteries (ZABs). The suitability of the UV polymerization strategy to process a mechanically stable OH- conducting anion exchange polymer electrolyte membrane (AEPEM) reinforced by a glass fiber (GF) separator is also reported. The in situ polymerized ionomer-skin/interlayer (a thin anion-conducting polymer coating over the air-cathode of ZAB) acts as a buffer layer to narrow down the performance gap generally observed between ZABs possessing quasi-solid-state electrolytes and standard liquid electrolytes, respectively. For instance, when combined with the in situ polymerization strategy, a rechargeable ZAB (rZAB) based on an AEPEM-GF composite membrane delivered a high power density of 140 mW cm(-2), higher than that of the one without an in situ polymerized ionomer interlayer (120 mW cm(-2)). Notably, in a flexible rZAB configuration, this new strategy resulted in enhanced rate capability and cycling stability for 14 h at an operating current density of 2 mA cm(-2).
}, issn = {2050-7488}, doi = {10.1039/d3ta02320f}, author = {Kurian, Maria and Vijayakumar, Vidyanand and Manna, Narugopal and Kanheerampockil, Fayis and Bhat, Suresh and Kurungot, Sreekumar} } @article {48695, title = {Electronic fingerprints for diverse interactions of methanol with various Zn-based systems}, journal = {Surface Science}, volume = {736}, year = {2023}, month = {OCT}, pages = {122350}, type = {Article}, abstract = {
We have investigated various Zn-based catalysts for their interaction with methanol (MeOH). MeOH is one of the most critical molecules being studied extensively, and Zn-based catalysts are widely used in many industrially relevant reactions involving MeOH. We note that the same element (Zn and O, in the present study) exhibits different catalytic activity in different environments. The changing environment is captured in the underlying electronic structure of the catalysts. In the present work, we compared the electronic structure of Zn-based systems, i.e., ZnAl2O4 and ZnO along with oxygen preadsorbed Zn (O-Zn) and metallic Zn. We demonstrate the one-to-one correlation between the pDOS of the bare facet and the outcome of that facet{\textquoteright}s interaction (i.e. either adsorption or dissociation of MeOH) with MeOH. These findings would pave the way towards the in-silico design of catalysts.
}, keywords = {DFT, Electronic properties, Methanol, Zn-based systems, ZnO}, issn = {0039-6028}, doi = {10.1016/j.susc.2023.122350}, author = {Mehta, Shweta and Joshi, Kavita} } @article {48494, title = {Electrostatic modulation of intramolecular and intermolecular interactions during the formation of an amyloid-like assembly}, journal = {Biochemistry}, volume = {62}, year = {2023}, month = {MAY}, pages = {1890-1905}, type = {Article}, abstract = {
The mechanism of protein aggregation can be broadly viewedas ashift from the native-state stabilizing intramolecular to the aggregated-phasesustaining intermolecular interactions. Understanding the role ofelectrostatic forces on the extent of modulation of this switch hasrecently evolved as a topic of monumental significance as proteinaggregation has lately been connected to charge modifications of anaging proteome. To decipher the distinctive role of electrostaticforces on the extremely complicated phase separation landscape, weopted for a combined in vitro-in silico approach to ascertainthe structure-dynamics-stability-aggregabilityrelationship of the functional tandem RRM domains of the ALS-relatedprotein TDP-43 (TDP-43(tRRM)), under a bivariate solutioncondition in terms of pH and salt concentration. Under acidic pH conditions,the native TDP-43(tRRM) protein creates an aggregation-proneentropically favorable partially unfolded conformational landscapedue to enthalpic destabilization caused by the protonation of theburied ionizable residues and consequent overwhelming fluctuationsof selective segments of the sequence leading to anti-correlated movementsof the two domains of the protein. The evolved fluffy ensemble witha comparatively exposed backbone then easily interacts with incomingprotein molecules in the presence of salt via typical amyloid-aggregate-likeintermolecular backbone hydrogen bonds with a considerable contributionoriginating from the dispersion forces. Subsequent exposure to excesssalt at low pH conditions expedites the aggregation process via anelectrostatic screening mechanism where salt shows preferential bindingto the positively charged side chain. The applied target observable-specificapproach complementarity unveils the hidden information landscapeof an otherwise complex process with unquestionable conviction.
}, issn = {0006-2960}, doi = {10.1021/acs.biochem.3c00014}, author = {Pillai, Meenakshi and Das, Atanu and Jha, Santosh Kumar} } @article {48748, title = {Elevated level of glycated KQTALVELVK peptide of albumin is associated with the risk of diabetic nephropathy}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {JUN }, pages = {20654-20660}, type = {Article}, abstract = {
Diabetic nephropathyis a leading cause of end-stagerenal disease.Hence, early detection of diabetic nephropathy is essential to mitigatethe disease burden. Microalbuminuria, the currently used diagnosticmarker of diabetic nephropathy, is not efficient in detecting it atan early stage. Therefore, we explored the utility of glycated humanserum albumin (HSA) peptides for risk prediction of diabetic nephropathy.Three glycation-sensitive HSA peptides, namely, FKDLG-EENFK,KQTAL-VELVK, and KVPQVST-PTLVEVSR, with deoxyfructosyllysine(DFL) modification were quantified by targeted mass spectrometry (MS)in a study population comprising healthy and type II diabetes subjectswith and without nephropathy. Mass spectrometry, receiver operatingcharacteristic (ROC) curve, and correlation analysis revealed thatthe DFL-modified KQTALVELVK peptide was better than other glycatedHSA peptides and HbA(1c) for identifying diabetic nephropathy.DFL-modified KQTALVELVK could be a potential marker for risk predictionof diabetic nephropathy.
}, issn = {2470-1343}, doi = {10.1021/acsomega.3c01219}, author = {Chaurasiya, Arvindkumar H. and Jaiswal, Meera R. and Bayatigeri, Santhakumari and Kahar, Shweta and Tiwari, Shalbha and Unnikrishnan, Ambika G. and Kulkarni, Mahesh J.} } @article {48836, title = {Emergent stability in complex network dynamics}, journal = {Nature Physics}, volume = {19}, year = {2023}, month = {JUL}, pages = {1033+}, type = {Article}, abstract = {
The stable functionality of networked systems is a hallmark of their natural ability to coordinate between their multiple interacting components. Yet, real-world networks often appear random and highly irregular, raising the question of what are the naturally emerging organizing principles of complex system stability. The answer is encoded within the system{\textquoteright}s stability matrix-the Jacobian-but is hard to retrieve, due to the scale and diversity of the relevant systems, their broad parameter space and their nonlinear interaction dynamics. Here we introduce the dynamic Jacobian ensemble, which allows us to systematically investigate the fixed-point dynamics of a range of relevant network-based models. Within this ensemble, we find that complex systems exhibit discrete stability classes. These range from asymptotically unstable (where stability is unattainable) to sensitive (where stability abides within a bounded range of system parameters). Alongside these two classes, we uncover a third asymptotically stable class in which a sufficiently large and heterogeneous network acquires a guaranteed stability, independent of its microscopic parameters and robust against external perturbation. Hence, in this ensemble, two of the most ubiquitous characteristics of real-world networks-scale and heterogeneity-emerge as natural organizing principles to ensure fixed-point stability in the face of changing environmental conditions. Despite looking highly irregular, most real-world networks exhibit natural stability to external perturbations. A study of the properties of the stability matrix of networks now sheds light on the principles underlying this emerging stability.
}, issn = {1745-2473}, doi = {10.1038/s41567-023-02020-8}, author = {Meena, Chandrakala and Hens, Chittaranjan and Acharyya, Suman and Haber, Simcha and Boccaletti, Stefano and Barzel, Baruch} } @article {48942, title = {Emerging trends in olefin polymerization: a perspective}, journal = {Journal of macromolecular science part A- pure and applied chemistry }, volume = {60}, year = {2023}, month = {NOV}, pages = {731-750}, type = {Article}, abstract = {
The seemingly matured field of olefin polymerization still poses several challenges and holds enormous potential to meet contemporary material requirements. In this feature article, we examine the progress of olefin polymerization in the last two decades. Among the several emerging trends, we identify four most impactful discoveries, namely, (i) disentangled ultra-high molecular weight polyethylene (dUHMWPE), (ii) disubstituted functional olefin copolymerization, (iii) incorporation of bioderived comonomers in polyolefins, and (iv) application of above (ii, iii) functional polyolefins as compatibilizers. The dUHMWPE has attracted significant attention and heterogeneous Ziegler-type catalysts, homogenous metallocene, and post-metallocene catalysts have been reported to produce disentangled ultrahigh molecular weight polyethylene. Insertion copolymerization of difunctional disubstituted olefins has been reported only recently and ortho-phosphinobenzene sulfonate palladium catalyst outperforms the other catalysts. Interestingly, insertion copolymerization of bioderived olefins has witnessed a surge in the number of reports. Sugar and plant oil-derived olefins have been copolymerized with ethylene to obtain relatively hydrophilic polyethylene. The functional polyethylene is finding a new application as compatibilizer or displays better adhesion to surfaces. Thus, the feature article offers a succinct account of emerging trends in polyolefins, identifies the most impactful contributions, and debates the application potential of these new materials.
}, keywords = {compatibilizer, Functional polyethylene, Insertion (co)polymerization, renewable monomers, uHMWPE}, issn = {1060-1325}, doi = {10.1080/10601325.2023.2269971}, author = {Birajdar, Rajkumar S. and Bodkhe, Dnyaneshwar and Gupta, Poonam and Shaikh, Maulali H. and Ramekar, Rohan and Chikkali, Samir H.} } @article {48729, title = {Enantioselective intramolecular decarboxylative C-H bond func-tionalization of quinazolinones with amino acids by visible light photoredox catalysis}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {JUL}, type = {Article}, abstract = {
The direct visible light-mediated intramolecular decarboxylative C-H functionalization of Csp(2)-H bond adjacent to the nitrogen of a heteroarene has been achieved by iridium-catalyzed photodecarboxylative radical cyclization. This method offers rapid entry to the synthesis of quinazolinone scaffolds from easily accessible starting materials. The newly developed protocol is mild, operationally simple, oxidant free and general. The utility of this unique Csp(3)-Csp(2) bond forming reaction has been demonstrated in the syntheses of Circumdatin, Sclerotigenine and Benzomalvin A class of quinazolinone natural products and their congeners. The present work represents an interesting example of use of memory of chirality in decarboxylative C-C bond forming enantioselective photoredox reaction.
}, keywords = {C-H functionalization, memory of chirality, Minisci reaction, photodecarboxylative cyclization, photoredox catalysis, quinazolinone alkaloid, Radical}, issn = {1861-4728}, doi = {10.1002/asia.202300235}, author = {Sonavane, Sameer R. and Mhaske, Santosh B.} } @article {49124, title = {Enantioselective synthesis of (+)-Sedridine, (-)-Allosedridine and their N-Methyl analogs via Maruoka-Keck allylation and CBS reduction}, journal = {Natural Product Research }, volume = {37}, year = {2023}, month = {OCT}, pages = {3388-3394}, type = {Article}, abstract = {
A simple synthetic approach has been developed for the enantioselective total synthesis of (+)-Sedridine, (-)-Allosedridine and their analogs such as (+)-N- Methyl Sedridine and (-)-N-Methylallosedridine. The synthesis was achieved by using commercially available starting materials via Maruoka-Keck allylation, Wacker oxidation, and CBS reduction. The synthetic root provides a good diastereomeric ratio and high yields.
}, keywords = {CBS reduction, Maruoka-Keck allylation, Piperidine, Wacker oxidation}, issn = {1478-6419}, doi = {10.1080/14786419.2022.2076229}, author = {Bhoite, Shubhangi P. and Suryavanshi, Gurunath} } @article {48913, title = {Enhanced degradation of metformin using surface-coated vortex diodes}, journal = {Chemical engineering and processing-process intensification }, volume = {193}, year = {2023}, month = {NOV}, type = {Article}, abstract = {
The present work successfully demonstrates, for the first time, complete degradation of metformin using newer surface-coated vortex diode (SCVD) with copper and nickel coating to provide catalytic activity in the conventional hydrodynamic cavitation (HC) for significantly enhanced degradation efficiency. The SCVDs have dual functionality and the efficacy of catalytic cavitation reactors get enhanced using process intensifications of the type H2O2 addition, pH modification, and combined approach of HC+ pH+ H2O2 apart from the advantage of low pressure drop for the vortex flow based cavitation in vortex diode (Delta P of 1 bar). Complete, 100\%, degradation of metformin (MTF) was achieved within 5 min with integration of optimized H2O2 dose and exceptionally high synergistic index value over 300, indicating extraordinary synergy for both Cu and Ni-SCVD. Acidic condition promote degradation and a complete degradation with a high 43-48\% mineralization was observed using HC+ pH 4+ (1:200) H2O2 with less intermediates formation. The SCVDs reveal remarkable enhancement of similar to 9800\% in per-pass degradation and 1400-3400\% in cavitational yield as compared to conventional cavitation process under similar conditions. The newer SCVDs with catalytic activity can provide more cost-effective solutions for industrial and real-life applications.
}, keywords = {Cavitation, Oxidation, pollution, Technology, Wastewater treatment}, issn = {0255-2701}, doi = {10.1016/j.cep.2023.109572}, author = {Dixit, Divya and Thanekar, Pooja and Bhandari, Vinay M.} } @article {48755, title = {Enhancing diradical character of chichibabin{\textquoteright}s hydrocarbon through fluoride substitution}, journal = {ChemPlusChem}, volume = {88}, year = {2023}, month = {AUG}, pages = {e202300273}, type = {Article}, abstract = {
In this work, 5-SIDipp [SIDipp=1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] (1) derived Chichibabin{\textquoteright}s hydrocarbon with an octafluorobiphenylene spacer (3) has been reported. The addition of two equivalents of 5-SIDipp with decafluorobiphenyl in presence of BF3 gives the double C-F bond activated imidazolium salt with two tetrafluoroborate anions, 2. Further reduction of 2 gives the fluorine substituted 5-SIDipp based Chichibabin{\textquoteright}s hydrocarbon, 3. Quantum chemical calculations suggested a singlet state of 3 with a singlet-triplet energy gap (?ES-T) of 3.7 kcal mol(-1), which is substantially lower with respect to the hydrogen substituted NHC-based Chichibabin{\textquoteright}s hydrocarbons (10.7 kcal mol(-1), B3LYP). As a result, the diradical character (y) of 3 (y=0.62) is also noticeably higher than the hydrogen substituted CHs (y=0.41-0.43). The ?ES-T was found to be higher in CASSCF (22.24 kcal mol(-1)) and CASPT2 (11.17 kcal mol(-1)) for 3 and the diradical character (d) is 44.6 \%.
}, keywords = {C-F Bond Activation, Chichibabin \& PRIME, DFT, N-Heterocyclic carbene, s Hydrocarbon}, issn = {2192-6506}, doi = {10.1002/cplu.202300273}, author = {Kundu, Gargi and Dash, Soumya Ranjan and Kumar, Ravi and Vanka, Kumar and Ghosh, Aryya and Sen, Sakya S.} } @article {48702, title = {Equilibrium adsorption of nitrogen, oxygen, and argon on silver-exchanged hierarchical ETS-10}, journal = {Journal of Chemical and Engineering Data}, volume = {68}, year = {2023}, month = {JUL}, pages = {2159-2172}, type = {Article}, abstract = {
Silver-exchanged hierarchical ETS-10(Ag-H-ETS-10) was synthesizedusing Ag+ exchange with hierarchical Engelhard titanosilicate(H-ETS-10) using silver nitrate solution. The physical propertiesof the adsorbent were analyzed using X-ray diffraction (XRD), BETsurface area, nitrogen adsorption-desorption, pore volume,energy dispersive spectroscopy (EDS), and high resolution-transmissionelectron microscopy (HR-TEM). N-2 physisorption data confirmedthat a micro-mesoporous (bimodal) structure was created in the Ag-H-ETS-10.The equilibrium adsorbent data of pure gases N-2, O-2, and Ar were investigated in the temperature range from 288to 318 K up to 10 bar. The equilibrium adsorption capacity of Ag-H-ETS-10was found to be 1.12 mmol g(-1) for N-2,0.87 mmol g(-1) for O-2, and 1.09 mmol g(-1) for Ar at 298 K and \& SIM;10 bar. \& SIM;20\% higheradsorption capacity was found for N-2 and Ar in Ag-H-ETS-10compared to Ag-ETS-10. The higher sorption capacity was attributedto the formation of a bimodal structure and \& pi;-complexation interactionby the Ag cation, which allows a multilayer of N-2 and Armolecules. The Sips isotherm model was well fitted for the Ag-H-ETS-10experimental data among Langmuir, Freundlich, Toth, and Temkin models.The measured equilibrium adsorption data for Ag-H-ETS-10 can be usefulfor the O-2 purification process.
}, issn = {0021-9568}, doi = {10.1021/acs.jced.3c00124}, author = {Shrotri, Aadesh R. and Niphadkar, Prashant S. and Bokade, Vijay V. and Nandanwar, Sachin U.} } @article {48975, title = {Etherification of biomass-derived glycerol to oxygenated fuel additives using dodecatungstophosphoric-silica-supported catalyst: characterization and kinetic studies}, journal = {Biomass Conversion and Biorefinery }, volume = {13}, year = {2023}, month = {NOV}, pages = {16285-16295}, type = {Article}, abstract = {
Commercial biodiesel production is becoming popular due to its sustainability and reduced greenhouse gas emissions in comparison to fossil fuels. Biodiesel production involves the co-generation of crude glycerol that is not directly viable. Valorization of glycerol is essential from techno-economic perspective to achieve goals of circular economy. In this study, the glycerol etherification was carried out using tert-butyl alcohol in presence of dodecatungstophosphoric/silica (DTP/SiO2) catalyst for production of tert-butyl glycerol ethers that can be used as fuel additives. A series of DTP/SiO2 catalysts were prepared with various compositions by impregnating heteropoly acids (HPA, H3PW12O40). The product analysis was performed to monitor mono-, di-, and tri-tert-butyl glycerol ethers. The kinetic studies were conducted based on Langmuir-Hinshelwood model. The rate constants were determined from experimental data by regression analysis. The catalysts were characterized by X-ray diffraction, SEM/EDX, and thermogravimetric analysis. Varying DTP loadings resulted in different catalytic activities. Activation energy (38.23 kJ/mol), activation enthalpy (25.94 kJ/mol), activation entropy (-163.8 J/mol/K), and Gibbs free energy of activation (88.67 kJ/mol) were attained for DTP/SiO2 (20\%) catalyst that exhibited the best selectivity for di-tert-butyl glycerol ethers.
}, keywords = {Catalytic, etherification, fuel additives, Hinselwood, Impregnation, kinetics, Langmuir}, issn = {2190-6815}, doi = {10.1007/s13399-023-04880-9}, author = {Magar, Subhash B. and Kapoor, Ashish and Jana, Sumit Kumar and Pal, Dan Bahadur and Rode, Chandrashekhar V.} } @article {48988, title = {Evaluation of Fe3O4 incorporated functionalized carbon nanotube self-standing buckypaper as electrodes for solid-state symmetric supercapacitor}, journal = {Journal of Energy Storage }, volume = {73}, year = {2023}, month = {DEC }, pages = {109-101}, type = {Article}, abstract = {
Iron (II, III) oxide and carbonaceous materials drawn considerable attention in energy storage owing to their special features. In this study, simple reverse co-precipitation, acid functionalization and vacuum filtration methods adopted to synthesis Fe3O4 nanoparticles of size 11 nm and -COOH acid functionalized multi-wall carbon nanotubes (FMWCNT). And further used them to prepare and optimize Fe3O4 in FMWCNT as 15 wt\% and 25 wt\% self-standing buckypapers of around 30-mu m thickness as electrodes for solid-state symmetric capacitor in the form of coin cell. The results show that 15 wt\% and 25 wt\% of Fe3O4-FMWCNT buckypapers hybrid nanostructures have Fe3O4 nanoparticles successfully incorporated in FMWCNT. The 25 wt\% Fe3O4-FMWCNT electrodes with charge transfer resistance of 140 Ohm showed high areal specific capacitance (Cs) 78.5 mF/cm2 and retained 80 \% of its Cs until 800 cycles even at high current density of 1 mA/cm2, scan rate of 100 mV/s whereas 15 wt\% Fe3O4-FMWCNT showed low Cs of 47 mF/cm2 and retained 80 \% of its Cs over 5000 cycles whereas only FMWCNT show Cs is 36 mF/cm2 with 54 Ohm. Finally, a solid-state symmetric supercapacitor coin cell with self-standing 25 wt\% Fe3O4-FMWCNT buckypaper showed an excellent power density of 129.5 mW cm-3 and energy density of 3.6 mWh cm-3 is the innovation of the current work. This is mainly attributed to the combined effect of pseudocapacitive behavior from Fe3O4 by faradaic reaction with additional charge transfer resistance and electric double layer (EDLC) behavior from FMWCNTs by non-faradaic of electronic, ionic transport during charging-discharging. As-made solid-state symmetric supercapacitor appears as a high-performance storage device without extra support of current collectors for practical applications and for fabri-cation of planar capacitors.
}, keywords = {Buckypaper, Power density, specific capacitance, Symmetric supercapacitor}, issn = {2352-152X}, doi = {10.1016/j.est.2023.109101}, author = {Bhaviripudi, Vijayabhaskara Rao and Dwivedi, Pravin K. and Pabba, Durga Prasad and Aepuru, Radhamanohar and Nakate, Umesh T. and Espinoza-Gonzalez, Rodrigo and Shelke, V, Manjusha} } @article {48682, title = {Evaluation of the adhesive properties of vanillin-derived polyhydroxy urethanes}, journal = {Journal of Applied Polymer Science}, volume = {140}, year = {2023}, month = {Dec}, pages = {e54647}, type = {Article}, abstract = {
Poly(hydroxy urethanes) (PHUs) have been considered attractive and safer variants of conventional polyurethanes (PUs). To improve the prerequisites of green and sustainable chemistry herein, we propose the synthesis and utilization of cyclic carbonate monomers majorly derived from vanillin, a lignin derivative, and CO2 for the development of PHUs. Kinetic evaluation on the polymerization temperature ascertained 80 degrees C as the optimum condition for PHU synthesis. The structural evaluation of PHUs was carried out by various spectroscopic techniques, such as FTIR, (HNMR)-H-1, and C-13-NMR, molar masses were determined by gel permeation chromatography (Mn varied between 2500 and 11,100 g/mol), and thermal properties evaluated by differential scanning calorimeter (Tg in the ranges of 28-42 degrees C), and thermogravimetric analysis (stable above 180 degrees C). Since the PHUs are enriched with pendant hydroxyl groups on their backbone which can promote adhesion, lap shear studies on the aluminum substrate exhibited a maximum shear strength of 1.65 +/- 0.37 MPa. This study demonstrates an attractive and environment-friendly pathway for developing novel PHUs network using renewable biobased resources and further explores its applicability as adhesives.
}, keywords = {adhesive, biobased cyclic dicarbonate, diamines, poly(hydroxyurethane)s, Vanillin}, issn = {0021-8995}, doi = {10.1002/app.54647}, author = {Ghuge, Gorakh Hiraman and Kambikanam, Karthika Vayalachery and Nair, Kiran Sukumaran} } @article {49133, title = {Evolutionary conservation of protein dynamics: insights from all-atom molecular dynamics simulations of {\textquoteleft}peptidase{\textquoteright} domain of Spt16}, journal = {Journal of Biomolecular Structure and Dynamics}, volume = {41}, year = {2023}, month = {MAR }, pages = {1445-1457}, type = {Article}, abstract = {
Protein function is encoded in its sequence, manifested in its three-dimensional structure, and facilitated by its dynamics. Studies have suggested that protein structures with higher sequence similarity could have more similar patterns of dynamics. However, such studies of protein dynamics within and across protein families typically rely on coarse-grained models, or approximate metrics like crystallographic B-factors. This study uses mu s scale molecular dynamics (MD) simulations to explore the conservation of dynamics among homologs of similar to 50 kDa N-terminal module of Spt16 (Spt16N). Spt16N from Saccharomyces cerevisiae (Sc-Spt16N) and three of its homologs with 30-40\% sequence identities were available in the PDB. To make our data-set more comprehensive, the crystal structure of an additional homolog (62\% sequence identity with Sc-Spt16N) was solved at 1.7 angstrom resolution. Cumulative MD simulations of 6 mu s were carried out on these Spt16N structures and on two additional protein structures with varying degrees of similarity to it. The simulations revealed that correlation in patterns of backbone fluctuations vary linearly with sequence identity. This trend could not be inferred using crystallographic B-factors. Further, normal mode analysis suggested a similar pattern of inter-domain (inter-lobe) motions not only among Spt16N homologs, but also in the M24 peptidase structure. On the other hand, MD simulation results highlighted conserved motions that were found unique for Spt16N protein, this along with electrostatics trends shed light on functional aspects of Spt16N. Communicated by Ramaswamy H. Sarma.
}, keywords = {Backbone fluctuations, FACT complex, histone binding, interdomain motion, M24 peptidase}, issn = {0739-1102}, doi = {10.1080/07391102.2021.2021990}, author = {Gaur, Neeraj K. and Ghosh, Biplab and Goyal, Venuka Durani and Kulkarni, Kiran and Makde, Ravindra D.} } @article {48998, title = {Exceptional cyclability of thermally stable PVdF-co-HFP/SiO2 nanocomposite polymer electrolytes for sodium ion batteries}, journal = {Journal of Energy Storage}, volume = {73}, year = {2023}, month = {DEC }, type = {Article}, abstract = {
Thermally stable composite polymer electrolyte (CPE) devising PVdF-co-HFP polymer with in-situ generated silica (SiO2) as filler is synthesised via non-solvent- induced phase inversion technique. The filler loading of in-situ synthesised silica in PVdF-co-HFP is varied from 0 to 9 wt\% and its morphological, thermal and electrochemical characterization is carried out. Among the different composite electrolytes, the PVdF-co-HFP containing 6 wt\% SiO2 shows the uniform microporous structure with a highest porosity (84 \%), surface area (784.14 m(2) g(-1)), electrolyte uptake (262 \%) and electrolyte retention value (0.48). The incorporation of in-situ SiO2 on CPE shows not only the enhancement in thermal stability but also reduced thermal shrinkage with an increase in the filler content. The electrochemical studies of PVdF-co-HFP containing 6 wt\% SiO2 shows a higher ionic conductivity (0.71 mS cm(-1)) and potential stability \>4.5 V verses Na/Na+. The Na-ion half-cells assembled with PVdF-co-HFP/SiO2 composite electrolyte show a specific capacity of similar to 120 mAh g(-1) at 0.3C rate in room temperature and a stable cycle performance with a Coulombic efficiency of around 100 \% for 200 cycles.
}, keywords = {Composite electrolytes, Coulombic efficiency, polymer electrolytes, Sodium ion batteries, specific capacity, thermal stability}, issn = {2352-152X}, doi = {10.1016/j.est.2023.109026}, author = {Das, Akhila and Melepurakkal, Amrutha and Sreeram, Pranav and Gireesh, K. T. and Balakrishnan, Neethu T. M. and Fatima, M. J. Jabeen and Pullanchiyodan, Abhilash and Ahn, Jou-Hyeon and V. Shelke, Manjusha and Raghavan, Prasanth} } @article {48964, title = {Excitation wavelength-dependent multi-coloured and white-light emissive pyrene-based hydrazones: suppression of Kasha{\textquoteright}s rule}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {NOV }, pages = {14122-14125}, type = {Article}, abstract = {
Multi-coloured and white-light emissions from pyrene-based hydrazones are described. They exhibit excitation wavelength-dependent emissions in solution due to the suppression of Kasha{\textquoteright}s rule. Interestingly, in dimethylformamide, 1-3 emit light that covers all the regions of primary colours as a function of excitation wavelength, and 1 and 2 emit white light (lambda ex = 420 nm) in isopropanol. Multi-coloured and white-light emissions from pyrene-based hydrazones are described.
}, issn = {1359-7345}, doi = {10.1039/d3cc04584f}, author = {Kumar, M. Naveen and Lyngkhoi, Deikrisha Lyngdoh and Gaikwad, Sudhakar and Samanta, Jayanta and Ahamed, Rafiq and Khatua, Snehadrinarayan and Pramanik, Susnata} } @article {48747, title = {Exploration of different solid variants of the anticancer medication Panobinostat (PNB) with improved physicochemical attributes}, journal = {Journal of Molecular Structure}, volume = {1292}, year = {2023}, month = {NOV }, pages = {136086}, type = {Article}, abstract = {
Panobinostat (PNB), is a medication used for the treatment of multiple myeloma. It is a BCS Class II drug with strong permeability and poor solubility. Therefore, it is highly desirable to investigate novel PNB variants with improved physiochemical properties. In this regard, several solid forms of PNB have been produced employing mechanochemistry and solution crystallisation techniques using a variety of GRAS (Generally Recognized as Safe) salt formers, notably oxalic acid (OA), fumaric acid (FA), maleic acid (MA), and succinic acid (SA). Powder X-Ray Diffraction (PXRD), Single Crystal X-Ray Diffraction (SCXRD), and thermal analysis such as Thermogravimetric analysis (TGA) and Differential Scanning Calorimetry (DSC) were used to characterize all the synthesised molecular adducts. Hirshfeld surfaces and fingerprint plots demonstrate that the molecular entities are stabilized by O \& BULL;\& BULL;\& BULL;H, C \& BULL;\& BULL;\& BULL;H, C \& BULL;\& BULL;\& BULL;C and H \& BULL;\& BULL;\& BULL;H intermolecular interactions. Moreover, the solubility of parent PNB and its molecular adducts in pH 1.2/pH 6.8 was evaluated at room temperature. In every instance, an increase in the solubility of molecular salts relative to the parent medication is seen, notably PNB.MA exhibits enhanced solubility of 0.294 mg/ml, a 73fold increase over the parent PNB. Furthermore, it is observed that this upsurge in solubility of all the forms is static at pH 1.2. A thorough analysis of the recovered residue after solubility showed that most of the molecular adducts were stable at pH 6.8 and did not display any phase change or dissociation (with the exception of PNB.MA), but at pH 1.2 they transferred into a new stable form and extensive analysis confirmed that it converted into PNB.Cl salt. To the best of our knowledge, this is the first report on novel solid forms of PNB with enhanced physicochemical properties which implies that the obtained PNB molecular adduct may help in the development of improved PNB formulations.
}, keywords = {Hydrogen bond, Molecular adducts, solubility, Solvates}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2023.136086}, author = {Kenguva, Gowtham and Giri, Lopamudra and Rout, Smruti Rekha and Acharya, Achyuta Nanda and Dandela, Rambabu} } @article {48710, title = {Exploring SiliaCat Pd-DPP as a recyclable heterogeneous catalyst for the multi-batch direct heteroarylation polymerization for P(NDI2OD-T2)}, journal = {Polymer Chemistry}, volume = {14}, year = {2023}, month = {JUN}, pages = {2803-2819}, type = {Article}, abstract = {
Donor-acceptor (D-A) conjugated polymers like P(NDI2OD-T2) are important constituents of the active layer of energy conversion devices like all-polymer solar cells. A cost-effective and environmentally amiable pathway for the synthesis of this and similar D-A polymers is highly desirable for the large-scale production of these materials. In this report we have combined two cost-effective approaches, namely, direct heteroarylation polymerization (DHAP) and a recyclable heterogeneous catalyst (SiliaCat Pd-DPP), for the multi-batch synthesis of P(NDI2OD-T2). The general applicability of the approach was first established with a series of conjugated small molecules based on naphthalene diimide and bithiophene derivatives (N1 to N6). The Meitlis hot filtration test and inductively coupled plasma-optical emission spectroscopy (ICP-OES) were conducted to estimate the quantity of leached palladium in the final reaction product. Catalyst recyclability up to five cycles was demonstrated for N1 with \<2 ppm leached palladium impurity. A comparison was made with the homogeneous catalyst Pd(2)dba(3) which indicated the presence of much higher levels of palladium impurity in the final product. The polymerization of P(NDI2OD-T2) was demonstrated using the regular monomers (NDIOD-Br-2 and bithiophene) and also using a modified monomer with activated bithiophene (naphthalene diimide substituted bithiophene) under DHAP conditions employing SiliaCat Pd-DPP as the recyclable heterogeneous catalyst. The modified monomer proved to be amenable to DHAP polymerization using SiliaCat Pd-DPP as the heterogeneous catalyst, which could be consecutively reused four times with reproducible molecular weights in the range of M-n/M-w: 27.1/49.0 to 33.5/61.3.
}, issn = {1759-9954}, doi = {10.1039/d3py00183k}, author = {Kakde, Navnath R. and Asha, S. K.} } @article {48445, title = {Expounding lemonal terpenoids as corrosion inhibitors for copper using DFT based calculations}, journal = {Applied Surface Science}, volume = {614}, year = {2023}, month = {MAR}, pages = {156066}, type = {Article}, abstract = {
The most important bottleneck in identifying an innovative and yet viable corrosion inhibitor for copper surfaces is discerning the chemical interactions at the interface of adsorbate and adsorbent. The present work, primarily, discerns the interface chemistry of green corrosion inhibitors, viz., lemonal terpenoids, with the copper surfaces for the first time. The interface chemistry is evaluated for distinct facets of copper, modelled by periodic surfaces to finite sized aggregates, with two stereoisomers viz., citral and neral through density functional calculations. The adsorption/ interaction properties between the surface and the corrosion inhibiting molecule are analysed through the electronic properties such as density of states, charge density difference plots and Bader charges where in distinct bonding mechanisms are identified as a function of varying facets. Apart from the adsorption properties, molecular packing properties are of paramount importance towards the design of an efficient corrosion inhibitor for a surface. Hence, we also analyse the intermolecular stacking energies between the inhibitors when packed among themselves in vacuum and when adhered on to metal surfaces. The studies bring forth an understanding that lemon terpenoids are highly potential corrosion inhibitors for copper surfaces, particularly, for Cu (110) surfaces both in neutral and protonated form.
}, keywords = {Copper surface, Density Functional Theory (DFT), Green corrosion inhibitors, Interface chemistry, Lemonal terpenoids, Molecular stacking}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2022.156066}, author = {Samal, Pragnya Paramita and Singh, Chandrodai Pratap and Krishnamurty, Sailaja} } @article {48980, title = {Facile one-pot synthesis of Cu x O/TiO2 photocatalysts by regulating Cu oxidation state for efficient solar H2 production}, journal = {ACS Applied Energy Materials }, volume = {7}, year = {2023}, month = {DEC }, pages = {104-116}, type = {Article}, abstract = {
Development of highly efficient CuxO/TiO2 photocatalysts by regulating the oxidation state of Cu exclusively in either single or mixed oxidation state(s) is desirable but difficult to achieve without employing any external reagents. The present work describes a one-pot synthesis strategy to obtain CuxO/TiO2 photocatalysts with Cu in +1 and/or +2 by using a suitable combination of ethylene diamine tetra acetic acid (EDTA) and ethylene diamine, carefully varying the Cu content, and heat treatment process. CuxO/TiO2 nanocomposite catalysts were characterized thoroughly by physicochemical methods. Textural analysis indicates a high dispersion of CuxO on porous TiO2 with p-n heterojunctions between them in CuxO/TiO2 catalysts. UV-visible spectral analysis suggests the presence of CuxO on TiO2 with significantly extended absorption from the UV to the visible region. X-ray photoelectron spectroscopy (XPS) analysis indicates a strong synergetic interaction between TiO2 and CuxO due to the comparable CB potential and p-n heterojunction at the interface among them. Photoelectrochemical studies demonstrate excellent charge-carrier separation efficiency, low charge-transfer resistance, and high double-layer capacitance with Cu2O/TiO2 photocatalysts. Photocatalytic efficacy of a CuxO/TiO2 nanocomposite in thin-film form has been demonstrated for solar hydrogen generation in sunlight. The incorporation of Cu+ in TiO2 largely improves the H-2 production, and all of the CuxO/TiO2 nanocomposites in thin-film form exhibited higher efficiency compared to their particulate/suspension counterpart. Among the composite catalysts, TiCu-1 in thin-film form, with Cu exclusively in +1 oxidation state, exhibited a high hydrogen production rate of 7.06 mmol/hg, which is 6 times higher than its suspension counterpart; also catalysts containing mixed Cu-oxidation states exhibited about 60-70\% activity as that of TiCu-1. The superior performance of Cu2O/TiO2 nanocomposites in thin-film form was due to their enhanced light harvesting ability, high mass transfer rate, and easy accessibility of the reactant species to the active sites.
}, keywords = {heterojunction, Photocatalysis, Solar hydrogen, thin film, titania}, issn = {2574-0962}, doi = {10.1021/acsaem.3c02272}, author = {Rajendran, Sivaraj and Mani, Sunesh S. and Nivedhitha, Thazhath R. and Asoka, Anantha Krishnan and Arun, Pushkaran S. and Mathew, Thomas and Gopinath, Chinnakonda S.} } @conference {48799, title = {Fast normalization and despeckled method for skin optical coherence tomography image via deep learning}, booktitle = {Photonics in Dermatology and Plastic Surgery 2023}, year = {2023}, month = {JUL}, publisher = {SPIE}, organization = {SPIE}, address = {1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA}, abstract = {
Optical coherence tomography (OCT) is well-known for its high-resolution, non-invasive imaging modality with many medical uses, including skin imaging. Nevertheless, speckle noise limits the analytical capabilities of this imaging tool, causing deterioration in contrast and less exact detection of tissue microstructural heterogeneity. To address this issue, we proposed OCT despeckling approach by combing it with normalization to reduce the speckle noise more effectively. The proposed method contains multiple steps including phase correlation for alignment of misaligned frames, frame averaging which minimizes speckle noise, region-wise pixels normalization that helps to normalize intensity pixels, a modified BM3D filtering to suppress the white and speckle, and contrast enhancement to improve the contrast appropriately. To establish the approach, we applied 130 distinct B-scan skin OCT images and validate and evaluate the performance using qualitatively and quantitatively. Although the output obtained by the algorithm is promising, the method is time-consuming because of a series of steps. To reduce the time complexity, we also develop a supervised deep learning model by mapping between noisy-despeckled image pairs. The effectiveness and applicability of our DL approach were assessed using 130 skin OCT B-scans from various body areas taken from 45 healthy people between the ages of 20 and 60. With the support of the experimental results, we demonstrate that our DL model is capable to normalize and despeckling OCT images simultaneously.
}, keywords = {CNN, deep learning, denoising, Optical coherence tomography, speckle}, isbn = {978-1-5106-5809-7; 978-1-5106-5810-3}, doi = {10.1117/12.2651211}, author = {Rahaman, Jarjish and Lukas, Brandon and May, Julia and Puyana, Carolina and Tsoukas, Maria and Avanaki, Kamran}, editor = {Choi, B and Zeng, H} } @article {48266, title = {FeCl2-catalyzed rearrangement of aryl peroxyoxindole into 1,3-benzooxazin-4-One}, journal = {Advanced Synthesis \& Catalysis}, volume = {365}, year = {2023}, month = {FEB}, pages = {515-521}, type = {Article}, abstract = {
We report an FeCl2-catalyzed radical rearrangement of aryl peroxyoxindoles into 1,3-benzooxazin-2-ones to obtain a variety of aryl substituted 1,3-benzooxazin-4-ones in moderate to good yields. Mechanistically, this skeletal rearrangement of peroxyoxindoles proceeded via radical pathway and was well supported with a series of experimental findings and DFT studies.
}, keywords = {1, 3-Benzooxazin-4-one, FeCl2, Peroxyoxindole, rearrangement, Ring expansion}, issn = {1615-4150}, doi = {10.1002/adsc.202201308}, author = {Mohanta, Nirmala and Samal, PragnyaParamita and Krishnamurty, Sailaja and Gnanaprakasam, Boopathy} } @article {49140, title = { Ferroelectric aminophosphonium cyanoferrate with a large electrostrictive coefficient as a piezoelectric nanogenerator}, journal = {Angewandte Chemie-International Edition}, volume = {62}, year = {2023}, month = {JAN }, type = {Article}, abstract = {
Hybrid materials possessing piezo- and ferroelectric properties emerge as excellent alternatives to conventional piezoceramics due to their merits of facile synthesis, lightweight nature, ease of fabrication and mechanical flexibility. Inspired by the structural stability of aminophosphonium compounds, here we report the first A(3)BX(6) type cyanometallate [Ph-2((PrNH)-Pr-i)(2)P](3)[Fe(CN)(6)] (1), which shows a ferroelectric saturation polarization (P-s) of 3.71 mu C cm(-2). Compound 1 exhibits a high electrostrictive coefficient (Q(33)) of 0.73 m(4) C-2, far exceeding those of piezoceramics (0.034-0.096 m(4) C-2). Piezoresponse force microscopy (PFM) analysis demonstrates the polarization switching and domain structure of 1 further confirming its ferroelectric nature. Furthermore, thermoplastic polyurethane (TPU) polymer composite films of 1 were prepared and employed as piezoelectric nanogenerators. Notably, the 15 wt \% 1-TPU device gave a maximum output voltage of 13.57 V and a power density of 6.03 mu W cm(-2).
}, keywords = {Cyanometallates, energy conversion, H-bonding, hybrid composites, Phosphorus}, issn = {1433-7851}, doi = {10.1002/anie.202214984}, author = {Vijayakanth, Thangavel and Sahoo, Supriya and Kothavade, Premkumar and Sharma, Vijay Bhan and Kabra, Dinesh and Zareba, Jan K. K. and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {48699, title = {Ferroelectric polarization and iron substitution synergistically boost electrocatalytic oxygen evolution reaction in bismuth oxychloride nanosheets}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {AUG }, pages = {11414-11425}, type = {Article}, abstract = {
Ferroelectric materials have gained significant interestin variouskinds of water splitting, but the study of ferroelectric materialsfor electrocatalytic water splitting is in its infancy. Ferroelectricmaterials have spontaneous polarization below their Curie temperaturedue to dipolar alignment, which results in surface charges. In 2Dferroelectric materials, spontaneous polarization depends on thickness.Herein, we report that thickness-dependent ferroelectric polarizationin 2D nanosheets can also accelerate the oxygen evolution reaction(OER) along with the tailored active surface area of exposed crystallinefacets, which improves the electrocatalytic activity relatively. Iron-substitutedBiOCl nanosheets of varying thickness are fabricated by varying thepH using a facile coprecipitation method. The substituted iron enhancespolarization and electrochemical active sites on the surface. Thefindings in this study show that the exposed (001) facet and higherthickness of the nanosheets have high ferroelectric polarization and,in turn, superior electrocatalytic activity and remarkable stability,requiring low overpotentials (348 mV and 270 mV at 100 mA/cm(2) and 10 mA/cm(2)) in alkaline (1.0 M KOH) electrolyte. Asthe thickness of the nanosheets is decreased from 140 to 34 nm, theelectrocatalytic performance of iron-substituted BiOCl nanosheetsstarts to reduce due to the lower Coulomb-Coulomb interactionand the increasing depolarization.
}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c01272}, author = {Singh, Dinesh and Joshi, Bhavana and Poddar, Pankaj} } @article {48329, title = {Few-layer graphene lithiophilic and sodiophilic diffusion layer on porous stainless steel as lithium and sodium metal anodes}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {APR }, type = {Article}, abstract = {
In order to subdue the obvious problem of uneven electric field distribution on regularly used copper/aluminum current collectors for alkali metal batteries, graphene on porous stainless steel (pSS_Gr) was fabricated using the ion etching technique that is employed as an effective host for lithium and sodium metal anodes. The binder-free pSS_Gr demonstrated stable Li plating and stripping at areal current and capacity of 6 mA cm(-2) and 2.54 mAh cm(-2), respectively, for over 1000 cycles with 98\% coulombic efficiency (C.E.). Also, in the case of Na metal anode, the host has shown stable performance at 4 mA cm(-2) and 1 mAh cm(-2) over 1000 cycles with similar to 100\% C.E.. Further, a full cell composed of Li-plated pSS_Gr as an anode and LiFePO4 as a cathode is electrochemically tested at 50 mA g(-1) current density with stable 100 cycles.
}, keywords = {Few layer graphene, Free-standing, Li and Na metal functional host, Na depth profiles, post-cycling XPS}, issn = {1861-4728}, doi = {10.1002/asia.202300068}, author = {Patrike, Apurva and Wasnik, Kundan and Shelke, Manjusha V.} } @article {48295, title = {Food-grade xylitol production from corncob biomass with acute oral toxicity studies}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {39}, year = {2023}, month = {APR}, pages = {102}, type = {Article}, abstract = {
Xylitol, a sugar substitute, is widely used in various food formulations and finds a steady global market. In this study, xylitol crystals were produced from corncob by fermentation (as an alternative to the chemical catalytic process) by a GRAS yeast Pichia caribbica MTCC 5703 and characterized in detail for their purity and presence of any possible contaminant that may adversely affect mammalian cell growth and proliferation. The acute and chronic oral toxicity trials demonstrated no gross pathological changes with average weekly weight gain in female Wistar rats at high xylitol loading (LD50 \> 10,000 mg/kg body weight). The clinical chemistry analysis supported the evidence of no dose-dependent effect by analyzing blood biochemical parameters. The finding suggests the possible application of the crystals (\> 98\% purity) as a food-grade ingredient for commercial manufacture pending human trials.
}, keywords = {Acute oral toxicity, Corncob, Fermentation, Shelf life analysis, xylitol}, issn = {0959-3993}, doi = {10.1007/s11274-023-03542-2}, author = {Dasgupta, Diptarka and Ahuja, Vishal and Singh, Raghuvir and More, Snehal and Mudliar, Sandeep and Kumar, Madan} } @article {48943, title = {Functionalized CNT-azobenzene-PVA-based self-healing aqueous gel as a conductive photo-responsive actuator}, journal = {Journal of materials chemistry C}, volume = {11}, year = {2023}, month = {DEC }, pages = {16571-16577}, type = {Article}, abstract = {
Conductive gels have gained attention from researchers owing to potential applications in flexible displays, implantable medical devices, touch panels, wearable electronic skin, sensors, soft robotics, etc. Photo-responsive conductance switching gels can make their way into various applications, including contact-free remote-controlled manipulation of the materials, implantable synthetic organs, and optical switches. Herein, we report an aqueous gel with boronic acid containing azobenzene crosslinker as the light-responsive part that can undergo reversible cis-trans isomerization on irradiation with UV-vis light and catechol functionalized single-walled carbon nanotube as a conductive part producing a self-healing aqueous gel with PVA. The 3D crosslinked gel network formed through the formation of boronic ester and hydrogen bonding between hydroxyl and boronic acid groups was confirmed using scanning electron microscopy, X-ray microtomography, and rheological experiments. Rheology results show that gel is a viscoelastic material with immediate self-healing properties. The presence of functionalized SWCNT in the gel matrix enhances the stability and results in a conductivity of up to 3.5 S cm-1 with a loading of 5 wt\%. The gel network exhibits a photoresponsive conductance switching from 10 to 60 mu A with UV and visible light irradiation, respectively. The molecular level motions during the isomerization of azobenzene lead to macroscopic dynamic changes that can find applications in soft actuators. The photoresponsive conductivity switching and dynamic movements of the films make the present material suitable for contact-free switching applications. Responsive conductive gels have gained attention owing to potential applications in flexible displays, implantable medical devices, touch panels, wearable electronic skin, sensors, soft robotics, and related areas.
}, keywords = {Cyclodextrins, Supramolecular Hydrogels,}, issn = {2050-7526}, doi = {10.1039/d3tc02942e}, author = {Narayanan, Aswini and Bhagyasree, T. M. and Torris, Arun and Babu, Sukumaran Santhosh} } @article {48258, title = {Functionalized Mo2BX2 (X = H, OH, O) MBenes as a promising sensor, capturer and storage material for environmentally toxic gases: A case study of 1T and 2H phase}, journal = {Applied Surface Science}, volume = {615}, year = {2023}, month = {APR }, pages = {156299}, type = {Article}, abstract = {
MBenes analogous to MXenes, exfoliated from the bulk MAB phase (M = transition metal, A = IIIA and IVA group, and B = boron) have appeared as promising two dimensional (2D) materials due to their intriguing properties. Here, we report the 2D 1T-2H-phase of Mo2B with their functionalized derivatives Mo2BX2 (X= H, OH, O) and investigate their structural, electronic, and adsorption behavior of toxic gases using the first-principles calculations. This study finds that pristine and functionalized MBenes have dynamic and thermal stability and possess metallic nature in both phases. Based on adsorption behavior and comparison with other 2D materials, we find that pristine MBenes are a desirable adsorbent for NO2, SO2, and CO2 capture. In contrast, the moderate adsorption energies for functionalized MBenes-NH3 systems reveal good sensitivity for NH3 gas detection in both phases. In particular, 2H-Mo2BH2 has higher CT (-0.11e) and appropriate adsorption energy (-0.30 eV), leads a shorter recovery time. Further, DOS calculations reveal that the electrical conducting behavior of MBenes makes them suitable for NH3 detection with a short recovery time. Our results would provide the first insight into the surface-functionalized effect on the structural and electronic properties of the MBenes, and shed light on the application of MBenes for the sensing and catalyst of typical toxic and greenhouse gases, respectively.
}, keywords = {Adsorption energy, First-principles study, Functionalization, Gas sensing, MBenes}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2022.156299}, author = {Shukla, Aarti and Sharma, Gautam and Krishnamurty, Sailaja} } @article {48338, title = {G4-binding drugs, chlorpromazine and prochlorperazine, repurposed against COVID-19 infection in hamsters}, journal = {Frontiers in Molecular Biosciences}, volume = {10}, year = {2023}, month = {MAR }, pages = {1133123}, type = {Article}, abstract = {
The COVID-19 pandemic caused by SARS-CoV-2 has caused millions of infections and deaths worldwide. Limited treatment options and the threat from emerging variants underline the need for novel and widely accessible therapeutics. G-quadruplexes (G4s) are nucleic acid secondary structures known to affect many cellular processes including viral replication and transcription. We identified heretofore not reported G4s with remarkably low mutation frequency across \>5 million SARS-CoV-2 genomes. The G4 structure was targeted using FDA-approved drugs that can bind G4s - Chlorpromazine (CPZ) and Prochlorperazine (PCZ). We found significant inhibition in lung pathology and lung viral load of SARS-CoV-2 challenged hamsters when treated with CPZ or PCZ that was comparable to the widely used antiviral drug Remdesivir. In support, in vitro G4 binding, inhibition of reverse transcription from RNA isolated from COVID-infected humans, and attenuated viral replication and infectivity in Vero cell cultures were clear in case of both CPZ and PCZ. Apart from the wide accessibility of CPZ/PCZ, targeting relatively invariant nucleic acid structures poses an attractive strategy against viruses like SARS-CoV-2, which spread fast and accumulate mutations quickly.
}, keywords = {Conserved motif, FDA-approved drugs, G-quadruplex binding drugs, hamster model of COVID-19, RNA G-quadruplex}, doi = {10.3389/fmolb.2023.1133123}, author = {Roy, Shuvra Shekhar and Sharma, Shalu and Rizvi, Zaigham Abbas and Sinha, Dipanjali and Gupta, Divya and Rophina, Mercy and Sehgal, Paras and Sadhu, Srikanth and Tripathy, Manas Ranjan and Samal, Sweety and Maiti, Souvik and Scaria, Vinod and Sivasubbu, Sridhar and Awasthi, Amit and Harshan, Krishnan H. and Jain, Sanjeev and Chowdhury, Shantanu} } @article {48337, title = {Gas sensors and factors influencing sensing mechanism with a special focus on MOS sensors}, journal = {Journal of Materials Science}, volume = {58}, year = {2023}, month = {JAN}, pages = {559-582}, type = {Review}, abstract = {
Industrialization and its progress are very important for the economy and to move towards prosperity, stimulating innovation and creating jobs. Nonetheless, industrialization has negative impacts, if not done judiciously, such as pollution, increased greenhouse gas emissions, and global warming. Therefore, amenity-with-security is of fundamental significance in a new and dynamic lifestyle. A gas sensor is one of the crucial devices for monitoring and subsequently preserving the clean atmosphere among a number of other safety technologies. In-depth assessments of gas sensors and their necessity in the environment (air) pollution are provided in the current review. With a special emphasis on metal oxide semiconductor (MOS)-based gas sensors, the review includes a thorough study of gas sensors and the factors relating to sensing mechanisms. It not only describes the basic concepts and brief history of gas sensors, but also highlights the schemes responsible for improving the gas sensing properties and state-of-art literature review. These schemes include (1) surface engineering/morphological tuning and (2) bulk and surface doping. To keep scientific rigour and in-depth analyses, this review focuses on these two schemes only. In the doping area, the emphasis is given on graphene loading, decorated with nanoparticles of noble metals, spillover mechanism, and heterojunction (p-n, n-n, and p-p) formation. The conclusion summarizes the most optimized MOS gas sensors with enhanced gas sensing capabilities. The emphasis is given to formulate the article in such a way that it will be useful for the beginners who wish to explore the gas sensor research field, as well as to the established researchers to further improve the sensing capabilities of MOS gas sensors.
}, issn = {0022-2461}, doi = {10.1007/s10853-022-08072-0}, author = {Nadargi, Digambar Y. Y. and Umar, Ahmad and Nadargi, Jyoti D. D. and Lokare, Smita A. A. and Akbar, Sheikh and Mulla, Imtiaz S. S. and Suryavanshi, Sharad S. S. and Bhandari, Nagesh L. L. and Chaskar, Manohar G. G.} } @article {48298, title = {Genetic diversity of toxigenic Fusarium verticillioides associated with maize grains, India}, journal = {Genetics and Molecular Biology}, volume = {46}, year = {2023}, month = {MAY}, pages = {e20220073}, type = {Article}, abstract = {
In the present investigation, prevalence, genetic diversity, and mycotoxin producing potential of Fusarium species associated with maize grain samples were studied from different geographical regions of India. The highest prevalence of Fusarium verticillioides was recorded as 88.52\%, followed by F. coffeatum, F. foetens, and F. euwallaceae, 6.55\%, 3.27\%, and 1.63\%, respectively. We isolated 54 strains of F. verticillioides, and their genetic diversity was studied by inter simple sequence repeats (ISSR). The ISSR fingerprints (AG) 8C and (AG) 8G showed 252 and 368 microsatellite sites in the genome of F. verticillioides and resulted in 99-100\% repeatability and reproducibility. The Simpson (SID) and Shannon (H) indices (0.78 and 2.36) suggest that F. verticillioides strains exhibit moderate to high diversity. Molecular detection of fumonisin B1 (FB1) biosynthetic genes (FUM1 and FUM13) involved in FB1 production in F. verticillioides was confirmed by polymerase chain reaction (PCR). Furthermore, 91\% of the strains were positive for FB1 production, which was affirmed by liquid chromatography with tandem mass spectrometry (LC-MS-MS). In-vitro appurtenance of F. verticillioides spores exhibited a high to moderate effect on the growth and development of the maize. The current finding demonstrated that most F. verticillioides strains showed a wide range of genetic diversity with varied toxigenic and pathogenic potentials. In conclusion, for the first time, F. coffeatum, F. foetens, and F. euwallaceae species were reported from maize grain samples in India. They were positive for FB1 and negatively affecting grain quality, which is a major concern in food safety.
}, keywords = {diversity, Food safety, Fusarium verticillioides, Mycotoxin, pathogenicity}, issn = {1415-4757}, doi = {10.1590/1678-4685-GMB-2022-0073}, author = {Navale, Vishwambar D. and Sawant, Amol M. and Vamkudoth, Koteswara Rao} } @article {48446, title = {Genomic determinants of entomopathogenic fungi and their involvement in pathogenesis}, journal = {Microbial Ecology}, volume = {85}, year = {2023}, month = {JAN}, pages = {49-60}, type = {Article}, abstract = {
Entomopathogenic fungi offer an effective and eco-friendly alternative to curb insect populations in biocontrol strategy. The evolutionary history of selected entomopathogenic fungi indicates their ancestral relationship with plant endophytes. During this host shifting, entomopathogenic fungi must have acquired multiple mechanisms, including a combination of various biomolecules that make them distinguishable from other fungi. In this review, we focus on understanding various biochemical and molecular mechanisms involved in entomopathogenesis. In particular, we attempt to explain the indispensable role of enlarged gene families of various virulent factors, viz. chitinases, proteases, lipases, specialized metabolites, and cytochrome P450, in entomopathogenesis. Our analysis suggests that entomopathogenic fungi recruit a different set of gene products during the progression of pathogenesis. Knowledge of these bio-molecular interactions between fungi and insect hosts will allow researchers to execute pointed efforts towards the development of improved entomopathogenic fungal strains.
}, keywords = {Biocontrol, Chitinases, Endophytic fungi, Entomopathogenic fungi, Hydrolytic enzymes, Insect pests}, issn = {0095-3628}, doi = {10.1007/s00248-021-01936-z}, author = {Vidhate, Ravindra P. and Dawkar, Vishal V. and Punekar, Sachin A. and Giri, Ashok P.} } @article {48995, title = {Genomic surveillance reveals early detection and transition of delta to omicron lineages of SARS-CoV-2 variants in wastewater treatment plants of Pune, India}, journal = {Environmental Science and Pollution Research }, volume = {30}, year = {2023}, month = {DEC}, pages = {118976-118988}, type = {Article}, abstract = {
The COVID-19 pandemic has emphasized the urgency for rapid public health surveillance methods to detect and monitor the transmission of infectious diseases. The wastewater-based epidemiology (WBE) has emerged as a promising tool for proactive analysis and quantification of infectious pathogens within a population before clinical cases emerge. In the present study, we aimed to assess the trend and dynamics of SARS-CoV-2 variants using a longitudinal approach. Our objective included early detection and monitoring of these variants to enhance our understanding of their prevalence and potential impact. To achieve our goals, we conducted real-time quantitative polymerase chain reaction (RT-qPCR) and Illumina sequencing on 442 wastewater (WW) samples collected from 10 sewage treatment plants (STPs) in Pune city, India, spanning from November 2021 to April 2022. Our comprehensive analysis identified 426 distinct lineages representing 17 highly transmissible variants of SARS-CoV-2. Notably, fragments of Omicron variant were detected in WW samples prior to its first clinical detection in Botswana. Furthermore, we observed highly contagious sub-lineages of the Omicron variant, including BA.1 (similar to 28\%), BA.1.X (1.0-72\%), BA.2 (1.0-18\%), BA.2.X (1.0-97.4\%) BA.2.12 (0.8-0.25\%), BA.2.38 (0.8-1.0\%), BA.2.75 (0.01-0.02\%), BA.3 (0.09-6.3\%), BA.4 (0.24-0.29\%), and XBB (0.01-21.83\%), with varying prevalence rates. Overall, the present study demonstrated the practicality of WBE in the early detection of SARS-CoV-2 variants, which could help track future outbreaks of SARS-CoV-2. Such approaches could be implicated in monitoring infectious agents before they appear in clinical cases.
}, keywords = {Bioinformatics pipeline, COVID-19, Early warning, India, Next-generation sequencing, Omicron, Public health, SARS-CoV-2, wastewater, Wastewater-based epidemiology}, issn = {0944-1344}, doi = {10.1007/s11356-023-30709-z}, author = {Rajput, Vinay and Pramanik, Rinka and Malik, Vinita and Yadav, Rakeshkumar and Samson, Rachel and Kadam, Pradnya and Bhalerao, Unnati and Tupekar, Manisha and Deshpande, Dipti and Shah, Priyanki and Shashidhara, L. S. and Boargaonkar, Radhika and Patil, Dhawal and Kale, Saurabh and Bhalerao, Asim and Jain, Nidhi and Kamble, Sanjay and Dastager, Syed and Karmodiya, Krishanpal and Dharne, Mahesh} } @article {48447, title = {Governing dynamics and preferential binding of the AXH domain influence the aggregation pathway of Ataxin-1}, journal = {Proteins-Structure Function and Bioinformatics}, volume = {91}, year = {2023}, month = {MAR}, pages = {380-394}, type = {Article}, abstract = {
The present state of understanding the mechanism of Spinocerebellar Ataxia-1, a fatal neurodegenerative disease linked to the protein Ataxin-1 (ATXN1), is baffled by a set of self-contradictory, and hence, inconclusive observations. This fallacy poses a bottleneck to the effective designing of curable drugs as the field is currently missing the specific druggable site. To understand the fundamentals of pathogenesis, we tried to decipher the intricacies of the extremely complicated landscape by targeting the relevant species that supposedly dictate the structure-function paradigm. The atomic-level description and characterization of the dynamism of the systems reveal the existence of structural polymorphism in all the leading stakeholders of the overall system. The very existence of conformational heterogeneity in every species creates numerous possible combinations of favorable interactions because of the variability in segmental cross-talks and hence claims its role in the choice of routes between functional activity and dysfunctional disease-causing aggregation. Despite this emergent configurational diversity, there is a common mode of operative intermolecular forces that dictates the extent of stability of all the multimeric complexes due to the localized population of a specific type of residue. The present research proposes a dynamic switch mechanism between aggregability and functional activity, based on the logical interpretation of the estimated variables, which is practically dictated by the effective concentration of the interacting species involved in the cell.
}, keywords = {Ataxin-1, molecular dynamics simulation, neurodegenerative diseases, Protein aggregation, protein misfolding disorders}, issn = {0887-3585}, doi = {10.1002/prot.26436}, author = {Tammara, Vaishnavi and Das, Atanu} } @article {48739, title = {Green adeptness in synthesis of non-toxic copper and cobalt oxide nanocomposites with multifaceted bioactivities}, journal = {Cancer Nanotechnology}, volume = {14}, year = {2023}, month = {DEC}, pages = {79}, type = {Article}, abstract = {
Background: In the present era, we are facing different health problems mainly concerning with drug resistance in microorganisms as well as in cancer cells. In addition, we are also facing the problems of controlling oxidative stress and insect originated diseases like dengue, malaria, chikungunya, etc. originated from mosquitoes. In this investigation, we unfurled the potential of Achatina fulica mucus in green synthesis of mucus mediated copper oxide bio-nanocomposites (SM-CuONC) and cobalt oxide bio-nanocomposites (SM-Co3O4NC). Herein we carried out the physico-chemical characterization like UV-Vis spectra, X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM), Transmission electron microscopy (TEM), Energy Dispersive X-ray Analysis (EDAX) and X-ray photoelectron spectroscopy (XPS) of as synthesized bio-nanocomposites. Both the bio-nanocomposites were tested for their potential as antimicrobial activity using well diffusion assay, anticancer activity by MTT assay, antioxidant activity by phosphomolybdenum assay and mosquito larvicidal activity.Results: The results of this study revealed that, SM-CuONC and SM-Co3O4NC were synthesized successfully using A. fulica mucus. The FESEM and TEM data reveal the formation of nanoparticles with quasi-spherical morphology and average particle size of similar to 18 nm for both nanocomposites. The EDAX peak confirms the presence of elemental copper and cobalt in the analyzed samples. The X-ray diffraction analysis confirmed the crystalline nature of the CuO and Co3O4. The result of anti microbial study exhibited that, SM-CuONC showed maximum antimicrobial activity against Escherichia coli NCIM 2065 and Aspergillus fumigatus NCIM 902 which were noted as 2.36 +/- 0.31 and 2.36 +/- 0.59 cm resp. at 60 mu g/well concentration. The result of anticancer activity for SM-CuONC was exhibited as, 68.66 +/- 3.72, 62.66 +/- 3.61 and 71.00 +/- 2.36 percent kill, while SM-Co3O4NC exhibited 61.00 +/- 3.57, 72.66 +/- 4.50 and 71.66 +/- 4.22 percent kill against Human colon cancer (HCT-15), Cervical cancer (HeLa), and Breast cancer (MDA-MB-231) cell lines, respectively, at 20 mu g/well concentration. Both the nanocomposites also exhibited better antioxidant activity. Total antioxidant activity for SM-CuONC at 50 mu g/ml concentration was found to be highest as 55.33 +/- 3.72 while that of SM-Co(3)O(4)Ns was 52.00 +/- 3.22 mM of ascorbic acid/mu g respectively. Both bio-nanocomposites also exhibited 100\% mosquito larvicidal activity at concentration ranging from 40 to 50 mg/l. During cytotoxicity study it is noted that at 5 mu g/well concentration, SM-CuO and SM-Co3O4NCs suspension showed more than 97\% viability of normal (L929) cell lines. We also studied phytotoxicity of both bio-nanocomposites on Triticum aestivum. In this study, 100\% seed germination was observed when seeds are treated with SM-CuONC and SM-Co3O4NC at 500 mg/l and 250 mg/l concentration respectively.Conclusions: This study concludes that in future as synthesized SM-CuONC and SM-Co3O4NC can be used in pharmaceutical, health care system for betterment and welfare of human life as both bio-nanocomposites exhibits better antimicrobial, anticancer, antioxidant and mosquito larvicidal potential.
}, keywords = {Achatina fulica mucus, Bio-nanocomposites, Biological activities, Characterization, Toxicity}, issn = {1868-6958}, doi = {10.1186/s12645-023-00226-2}, author = {Mane, Pramod C. and Kadam, Deepali D. and Khadse, Ashok N. and Chaudhari, Aditya R. and Ughade, Supriya P. and Agawane, Sachin B. and Chaudhari, Ravindra D.} } @article {48669, title = {Green, practical \& scalable approach towards the synthesis of valuable α-keto amides using a metal-free catalyst under solvent-free conditions}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {OCT}, pages = {19679-19687}, type = {Article}, abstract = {
alpha-Ketoamides are very important motifs as they are present in many natural products, drugs \& biologically important molecules. We synthesized a very simple, cheap, eco-friendly \& reusable glucose-based carbonaceous material (GCM), which showed high performance as a catalyst in the oxidative cross-dehydrogenative coupling (CDC) reaction of alpha-ketoaldehydes with amines for the synthesis of alpha-ketoamides. The GCM catalyst was also very efficient for one-pot two-step synthesis of alpha-ketoamides from alpha-ketoalcohols as well. The GCM catalyst was able to catalyze alcohol oxidation in alpha-ketoalcohols followed by CDC reaction with amines to form alpha-ketoalcohols. The reactions were found to proceed smoothly at a low temperature of 50 degrees C using a green \& economical metal-free catalyst under base-free, ligand-free \& solvent-free reaction conditions to get the corresponding alpha-ketoamides in good to excellent yields. The results demonstrated that the GCM catalyst showed acidic as well as superior oxidising catalytic activity due to the presence of a carboxylic acid (-COOH) and hydroxyl (-OH)-enriched carbonaceous framework, which enabled the synthesis of important alpha-ketoamide motifs. The applicability of the catalyst was also evaluated for the synthesis of an anti-HIV agent drug molecule. Greener, cheaper \& eco-friendly GCM catalyst as well as catalytic process for synthesis of alpha-Keto Amides.
}, issn = {1144-0546}, doi = {10.1039/d3nj03087c}, author = {Bankar, Shubham R. and Ghadge, Sambhaji S. and Jadhav, Vrushali H.} } @article {48824, title = {Green synthesis of GO-loaded Ag/ZnO nanocomposites for methyl orange degradation}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {34}, year = {2023}, month = {JUL}, pages = {1568}, type = {Article}, abstract = {
Nature is a perfect laboratory for creating novel nanomaterials for a variety of applications. A robust green synthesis approach to GO-loaded Ag/ZnO nanocomposite materials using medicinal plant extraction and their potential application in methyl orange dye degradation are reported. The straightforward technique employs zinc and silver nitrate precursors in an aqueous solution of medicinal plant extract, causing the precipitation process. Prior to photocatalytic investigations, the physico-chemical properties of the material are analysed using TG-DTA, XRD, FE-SEM, TEM, EDAX and BET. The developed material showcase hexagonal wurtzite structure of ZnO, with face-centered-cubic phase of Ag and AgCl. All the samples exhibit aggregated, irregular rounded grains, as expected in the precipitation synthesis process. Pristine ZnO showed 15.5\% degradation efficiency towards methyl orange, which was further improved by doping Ag from 0.5 to 2 mol\%. The catalyst with 1 mol\% Ag doping resulted in the better photocatalytic activity (26.30\%), which has again improved by loading the GO (27.46\%). The outcome of this study provides the new insights to GO-loaded Ag/ZnO nanocomposites by green synthesis route, in view of photocatalytic applications.
}, issn = {0957-4522}, doi = {10.1007/s10854-023-10979-6}, author = {Nadargi, Digambar Y. and Nadargi, Jyoti D. and Tamboli, Mohaseen S. and Tamboli, Asiya M. and Mulla, Imitaz S. and Umar, Ahmad and Truong, Nguyen Tam Nguyen and Suryavanshi, Sharad S.} } @article {48791, title = {H-atom site exchange in an iridium trans-dihydrogen/hydride complex, trans-[Ir(H)(?2-H2)(iPr)4(POCOP)(DMAP)]+}, journal = {Dalton Transactions}, volume = {52}, year = {2023}, month = {OCT }, pages = {13858-13863}, type = {Article}, abstract = {
Treatment of trans-[Ir(H)(N)(2)((iPr)4)(POCOP)(DMAP)][BAr4f] (2) with H-2 (1 bar) under ambient conditions (298 K) results in the formation of a trans-[Ir(H)(?(2)-H-2)((iPr)4)(POCOP)(DMAP)][BAr4f] (3) complex. Complex 3 exhibits H-atom site exchange between the bound H-2 and the hydride ligands which are mutually trans to one another. A plausible mechanism of this exchange involves metal-ligand cooperativity as studied by computations.
}, issn = {1477-9226}, doi = {10.1039/d3dt02366d}, author = {Agrawal, Nisha K. and Gayathridevi, S. and Dash, Soumya R. and Vanka, Kumar and Jagirdar, Balaji R.} } @article {48815, title = {Hierarchical covalent organic framework-foam for multi-enzyme tandem catalysis}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN }, pages = {6643-6653}, type = {Article}, abstract = {
Covalent organic frameworks (COFs) are ideal host matrices for biomolecule immobilization and biocatalysis due to their high porosity, various functionalities, and structural robustness. However, the porosity of COFs is limited to the micropore dimension, which restricts the immobilization of enzymes with large volumes and obstructs substrate flow during enzyme catalysis. A hierarchical 3D nanostructure possessing micro-, meso-, and macroporosity could be a beneficial host matrix for such enzyme catalysis. In this study, we employed an in situ CO2 gas effervescence technique to induce disordered macropores in the ordered 2D COF nanostructure, synthesizing hierarchical TpAzo COF-foam. The resulting TpAzo foam matrix facilitates the immobilization of multiple enzymes with higher immobilization efficiency (approximately 1.5 to 4-fold) than the COF. The immobilized cellulolytic enzymes, namely beta-glucosidase (BGL), cellobiohydrolase (CBH), and endoglucanase (EG), remain active inside the TpAzo foam. The immobilized BGL exhibited activity in organic solvents and stability at room temperature (25 degrees C). The enzyme-immobilized TpAzo foam exhibited significant activity towards the hydrolysis of p-nitrophenyl-beta-d-glucopyranoside (BGL@TpAzo-foam: K-m and V-max = 23.5 +/- 3.5 mM and 497.7 +/- 28.0 mu M min(-1)) and carboxymethylcellulose (CBH@TpAzo-foam: K-m and V-max = 18.3 +/- 4.0 mg mL(-1) and 85.2 +/- 9.6 mu M min(-1) and EG@TpAzo-foam: K-m and V-max = 13.2 +/- 2.0 mg mL(-1) and 102.2 +/- 7.1 mu M min(-1)). Subsequently, the multi-enzyme immobilized TpAzo foams were utilized to perform a one-pot tandem conversion from carboxymethylcellulose (CMC) to glucose with high recyclability (10 cycles). This work opens up the possibility of synthesizing enzymes immobilized in TpAzo foam for tandem catalysis.
}, issn = {2041-6520}, doi = {10.1039/d3sc01367g}, author = {Paul, Satyadip and Gupta, Mani and Dey, Kaushik and Mahato, Ashok Kumar and Bag, Saikat and Torris, Arun and Gowd, E. Bhoje and Sajid, Hasnain and Addicoat, Matthew A. and Datta, Supratim and Banerjee, Rahul} } @article {48670, title = {High open-circuit voltage in lead sulfide quantum dot solar cells via solution-phase ligand exchange with low electron affinity cadmium halides}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {11}, year = {2023}, month = {AUG}, pages = {17282-17291}, type = {Article}, abstract = {
The deployment of colloidal quantum dots (QDs) in building high-performance solar cells and other optoelectronic applications relies on the passivation of unsaturated surface atoms through ligand engineering to attain a trap-free energy bandgap and strong QD coupling while maintaining the quantum confinement effect. Despite major advancements in surface passivation strategies, the open circuit voltage (V-oc) of lead sulfide (PbS) QD solar cells is limited by undesirable sub-bandgap states and high-bandtail states. The most advanced solution-phase ligand exchange strategy for PbS QDs depends on lead halide ligands, which improved the photocurrent and fill factor in QD solar cells significantly, but only an incremental change in V-oc is observed. Here we showcase a solution-phase hybrid ligand passivation strategy for PbS QDs using shallow electron affinity cadmium halide and thiol ligands. The cadmium halide ligand treatment results in the sub-monolayer substitution of surface Pb atoms by Cd atoms. The photophysical properties of QDs improve significantly to show intense band edge emission, diminished trap emission and reduced Urbach tail states. The photovoltaic devices built using cadmium halide-treated QDs show low reverse saturation current, which helps to attain a record 0.7 V V-oc (for a 1.28 eV bandgap) and 12.3\% PCE.
}, issn = {2050-7488}, doi = {10.1039/d3ta02191b}, author = {Dambhare, Neha V. and Biswas, Arindam and Sharma, Anjali and Shinde, Dipak Dattatray and Mahajan, Chandan and Mitra, Anurag and Rath, Arup K.} } @article {48829, title = {High rate, high temperature, dendrite free plating/stripping of Li in 3-dimensional honeycomb boron carbon nitride to realize an ultrastable lithium metal anode}, journal = {Journal of Energy Storage}, volume = {68}, year = {2023}, month = {SEP}, pages = {107547}, type = {Article}, abstract = {
Lithium (Li) metal could be the anode of choice for energy dense Li-batteries owing to its high theoretical specific capacity. However, low coulombic efficiency and poor safety on account of the occurrence of the Li-dendrites during charging-discharging pose a bottleneck for practical applications. In this work, we report a high-rate plating and stripping of Li through host engineering to realize ultrastable Li metal anode (LMA). Benchmark plating/stripping efficiency could be achieved via uniquely structured, highly ordered honeycomb boron carbon nitride (HBCN) as a functional scaffold. Boron and nitrogen doping, large surface area and ordered mesoporous structure induce homogeneous solid electrolyte interface (SEI) layer formation and provide numerous nucleation sites with subsequent dendrite-free growth with 99.98 \% coulombic efficiency at 8 mA cm(-2) high current and 10 mAh cm(-2) capacity over 3000 cycles. Via post-cycling advanced characterizations techniques of Ex-situ XPS, 3D X-ray micro-tomography analyses and FESEM, we demonstrate the formation of a stable SEI layer and morphological changes that occurred during Li plating cycles in the HBCN structure. Computational studies validate the high lithium plating-stripping efficacy of HBCN to its highly ordered porous nature, exothermic Li-binding and upshift in the Fermi levels. When tested at elevated temperature (50 degrees C), a stable Li plating-stripping in HBCN is realised at 4 mA cm(-2) current and 10 mAh cm(-2) capacity values with similar to 100 \% C.E. Furthermore, we report the results of testing a Li metal cell comprised of Li deposited HBCN anode and LiFePO4 (LFP) cathode.
}, keywords = {Boron carbon nitride, Dendrite-free Li metal anode, Functional scaffold, High temperature plating/stripping of Li, Molecular planarity parameter, X-ray micro-tomography}, issn = {2352-152X}, doi = {10.1016/j.est.2023.107547}, author = {Patrike, Apurva and Karbhal, Indrapal and Wasnik, Kundan and Torris, Arun and Maibam, Ashakiran and Krishnamurty, Sailaja and Shelke, V, Manjusha} } @article {48314, title = {Highly interconnected porous monolithic and beaded polymers using high internal phase emulsion polymerization: tuning porous architecture through synthesis variables}, journal = {Polymer International}, volume = {72}, year = {2023}, month = {APR}, pages = {451-466}, type = {Article}, abstract = {
Open porous polymeric materials have gained popularity due to their exceptional properties and applications in tissue engineering scaffolds, drug delivery, enzyme immobilization and catalysis support. This study developed a novel two-stage approach to create networked, crosslinked poly(2-hydroxyethyl methacrylate-co-N,N{\textquoteright}-methylenebisacrylamide) HEMA-MBA beads. The first part involves producing an oil-in-water-in-oil high internal phase emulsion (HIPE). This is followed by suspension polymerization using a redox initiator pair. In this study, a mixed surfactant combination with low and high hydrophilicity-lipophilicity balance surfactants was identified and successfully utilized to prepare a stable oil-in-water-in-oil HIPE. The effect of crosslinker concentration (i.e. crosslink density), surfactant concentration and monomer-to-porogen ratio on pore architecture and surface area were successfully evaluated. In addition, a new protocol was developed to synthesize HEMA-MBA monoliths using an oil-in-water HIPE method at ambient temperature using a redox initiator pair. The effect of crosslink density and oil phase on pore architecture and surface area was evaluated. Key variables affecting the morphology of porous HEMA-MBA beads and monoliths were identified and quantified, allowing future development of porous HEMA-based polymer beads and monoliths with tunable morphologies which are suitable for numerous applications, especially in the biomedical field. (c) 2022 Society of Industrial Chemistry.
}, keywords = {HIPE polymerization, porosity, porous polymers, redox polymerization, Suspension polymerization}, issn = {0959-8103}, doi = {10.1002/pi.6489}, author = {Ponrathnam, Timothy and Behere, Isha and Ponrathnam, Surendra and Ingavle, Ganesh} } @article {48323, title = {Histidinal-based potent antimalarial agents}, journal = {ChemMedChem}, volume = {18}, year = {2023}, month = {MAY }, type = {Article}, abstract = {
Herein we report the synthesis and evaluation of peptide-histidinal conjugated drug scaffolds, which have the potential to target the hemoglobin-degrading proteases falcipain-2/3 from the human malaria parasite. Scaffolds with various substitutions were tested for antimalarial activity, and compounds 8 g, 8 h, and 15 exhibited EC50 values of similar to 0.018 mu M, similar to 0.069 mu M, and similar to 0.02 mu M, respectively. Structure-based docking studies on falcipain-2/3 proteases (PDB:2GHU and PDB:3BWK) revealed that compounds 8 g, 8 h, and 15 interact strongly with binding sites of falcipain-2/3 in a substrate-like manner. In silico ADME studies revealed that the molecules of interest showed no or minimal violations of drug-likeness parameters. Further, phenotypic assays revealed that compound 8 g and its biotinylated version inhibit hemoglobin degradation in the parasite food vacuole. The identification of falcipain-2/3 targeting potent inhibitors of the malaria parasite can serve as a starting point for the development of lead compounds as future antimalarial drug candidates.
}, keywords = {artemisinin, chloroquine, digestive vacuole, docking, falcipains, falciparum, P}, issn = {1860-7179}, doi = {10.1002/cmdc.202200709}, author = {Meena, Chhuttan L. and Hingamire, Tejashri and Gupta, Tanya and Deshmukh, Bhagyashree and Karmodiya, Krishanpal and Joshi, Rakesh and Shanmugam, Dhanasekaran and Sanjayan, Gangadhar J.} } @article {48946, title = {Hydrodynamics, residence time distribution, and mass transfer in spiral coils in series}, journal = {Industrial and Engineering Chemistry Research }, volume = {62}, year = {2023}, month = {DEC }, pages = {21822-21834}, type = {Journal Article}, abstract = {
Here, we report the analysis of flow field, residence time distribution (RTD), and mass transfer for the novel design of a spiral coil reactor (SCR) consisting of five spiral coils connected in series. Each coil comprises 8 turns with minimum and maximum radii of curvatures of 15 and 45 mm, respectively. The SCR is made up of an SS 316 tube (1/8 in. approximate to 3.175 mm O.D. and 1.8 mm I.D.), with a total length of 3.89 m. Experiments, as well as three-dimensional (3D) CFD simulations, are carried out to study the effects of the flow rate (61 \<= Re-in \<= 1839) on spatial variations in velocity and pressure distribution within the individual coils of the reactor. The flow regime is observed to undergo a transition from stable laminar flow for a lesser Dean number (De \< 50) to dominant secondary flow vortices for De \> 80. During the flow from the inner to the outer turns of the coil, the tangential velocity increases with a decreasing curvature ratio (delta), and the opposite occurs during the flow from the outer to the inner turns of the coil. Experimental RTD results show that the extent of axial dispersion decays exponentially with increasing Re and remains constant for Re \> 500. For liquid-liquid two-phase flow, the spiral coils in series offer a mass transfer coefficient comparable to those of static mixers and agitated contactors but with significantly lesser power consumption per unit volume. This work gives new insights into the design of a spiral coil reactor suitable to carry out single-phase and multiphase reactions efficiently as possibly the most space-filling option of tubular reactors with excellent transport characteristics.
}, keywords = {Gas- Liquid, heat transfer coefficient, Liquid Taylor Flow}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c02859}, author = {Khan, Muzammilanwar S. and Deore, Hital S. and Kulkarni, Amol A.} } @article {48774, title = {Hydrogen from catalytic non-thermal plasma-assisted steam methane reforming reaction}, journal = {International Journal of Hydrogen Energy}, volume = {48}, year = {2023}, month = {JUL}, pages = {24328-24341}, type = {Article}, abstract = {
Steam methane reforming reaction was carried out in a dielectric barrier plasma reactor. A systematic study is conducted to understand the influence of input power, flow rate, and water for the conversion, yield, and selectivity of the reaction over strategically designed catalysts. In particular, the production rate and selectivity of the products (H2, CO and C2 hydrocarbons) are monitored. CeO2 was used as packing material, mixed with oxides of manganese or copper and their combination. The optimum Cu/CeO2 catalyst illustrated the production rate of 248.7 mmolg-1h-1 and 11.25 mmolg-1h-1 for H2, and CO, respectively at specific energy input of 19.8 JL-1. DFT calculations exhibit apparent change in electronic structure of the CeO2 after inclusion of oxides of manganese and copper that enhance interaction with methane. Based on these findings, a plausible mechanism is elucidatedSteam methane reforming reaction was carried out in a dielectric barrier plasma reactor. A systematic study is conducted to understand the influence of input power, flow rate, and water for the conversion, yield, and selectivity of the reaction over strategically designed catalysts. In particular, the production rate and selectivity of the products (H2, CO and C2 hydrocarbons) are monitored. CeO2 was used as packing material, mixed with oxides of manganese or copper and their combination. The optimum Cu/CeO2 catalyst illustrated the production rate of 248.7 mmolg-1h-1 and 11.25 mmolg-1h-1 for H2, and CO, respectively at specific energy input of 19.8 JL-1. DFT calculations exhibit apparent change in electronic structure of the CeO2 after inclusion of oxides of manganese and copper that enhance interaction with methane. Based on these findings, a plausible mechanism is elucidated which can help to design catalyst for other applications in non-thermal plasma atmosphere. \& COPY; 2023 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {DFT, Dielectric barrier discharge, Non-thermal plasma, selectivity, Specific energy input, Steam methane reforming}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2023.03.281}, author = {Bajpai, Abhinav and Mehta, Shweta and Joshi, Kavita and Kumar, Sushant} } @article {48271, title = {Hydrogenation of levulinic acid to gamma-valerolactone over nickel supported organoclay catalyst}, journal = {Catalysis Today}, volume = {408}, year = {2023}, month = {JAN }, pages = {36-49}, type = {Article}, abstract = {
In this work, a series of Ni/Organoclay catalysts with different Nickel loadings were prepared by the wetimpregnation method for the catalytic hydrogenation of levulinic acid (LA) to gamma-valerolactone (GVL). Reaction parameters such as reaction temperature, pressure, solvent effect, and wt\% of catalyst were optimized to get excellent conversion of levulinic acid selectively to gamma-valerolactone. Ni/Organoclay with 30\% Nickel loading exhibited 100\% conversion of LA with 100\% selectivity towards GVL at 140 degrees C and 3.0 MPa H2 pressure using 1,4-dioxane as a solvent in 5 h. Different bulk and surface characterization techniques such as XRD, BET, FE-SEM, HR-TEM, XPS, XRF, NH3-TPD, and H2-Chemisorption were used to characterize the Ni/Organoclay catalyst. BET and NH3-TPD analysis showed that the pre-treatment of bentonite with surfactant (CTAB) improved the pore volume, surface area, and acidity of Organoclay which assisted in improving the conversion and selectivity of LA and GVL respectively.
}, keywords = {?-Valerolactone (GVL), Bentonite, Hydrogenation, Levulinic acid (LA), Nickel, organoclay}, issn = {0920-5861}, doi = {10.1016/j.cattod.2022.10.004}, author = {Kamble, Paresh A. and Vinod, C. P. and Rathod, Virendra K. and Kantam, Mannepalli Lakshmi} } @article {48448, title = {Hydroxide ion-conducting viologen-bakelite organic frameworks for flexible solid-state zinc-air battery applications}, journal = {Nanoscale Horizons}, volume = {8}, year = {2023}, month = {JAN }, pages = {224-234}, type = {Article}, abstract = {
Adaptable polymer-based solid-state electrolytes can be a game-changer toward safe, lightweight flexible batteries. We present a robust Bakelite-type organic polymer covalently decked with viologen, triazine, and phenolic moieties. Its flexible structure with cationic viologen centers incorporates counter-balancing free hydroxide ions into the polymeric framework. By design, the aromatic groups and heteroatoms in the framework can be activated under an applied potential to prompt a push-pull drive, setting off the towing of hydroxide ions via weak electrostatic, van der Waals, and hydrogen-bond interactions. The frontier orbitals from a DFT-modeled structure certify this. The hydroxyl-polymer requires minimal KOH wetting to maintain a humid environment for Grotthuss-type transport. The hydroxide ion conductivity reaches a value of 1.4 x 10(-2) S cm(-1) at 80 degrees C and 95\% RH, which is retained for over 15 h. We enhanced its practical utility by coating it as a thin solid-state separator-cum-electrolyte on readily available filter paper. The composite exhibits a conductivity of 4.5 x 10(-3) S cm(-1) at 80 degrees C and 95\% RH. A zinc-air battery (ZAB) constructed using this polymer-coated paper as electrolyte yields a maximum power density of 115 mW cm(-2) and high specific capacitance of 435 mA h g(-1). The power density recorded for our ZAB is among the best reported for polymer electrolyte-based batteries. Subsequently, the flexible battery fabricated with IISERP-POF11_OH@FilterPaper exhibits an OCV of 1.44 V, and three batteries in series power a demo traffic signal. To underscore the efficiency of hydroxide ion transport through the complex multifunctional backbone of the polymer, we calculated the diffusion coefficient for OH- (Exp: 2.9 x 10(-5) cm(2) s(-1); Comp. 5.2 x 10(-6) cm(2) s(-1)) using electrochemical methods and MD simulations. Climbing-edge NEB calculations reveal a large energy barrier of 2.11 eV for Zn2+ to penetrate the polymer and identify hydroxide ions within the polymer, suggesting no undesirable Zn2+ crossover. Our findings assert the readily accessible C-C-linked cationic polymer{\textquoteright}s capacity as a solid-state electrolyte for ZABs and any anion-conducting membrane.
}, issn = {2055-6756}, doi = {10.1039/d2nh00455k}, author = {Rase, Deepak and Illathvalappil, Rajith and Singh, Himan Dev and Shekhar, Pragalbh and Leo, Liya S. and Chakraborty, Debanjan and Haldar, Sattwick and Shelke, Ankita and Ajithkumar, Thalasseril G. and Vaidhyanathan, Ramanathan} } @article {48754, title = {Identification of G-quadruplex structures in MALAT1 lncRNA that interact with nucleolin and nucleophosmin}, journal = {Nucleic Acids Research}, volume = {51}, year = {2023}, month = {SEP}, pages = {9415-9431}, type = {Article}, abstract = {
Nuclear-retained long non-coding RNAs (lncRNAs) including MALAT1 have emerged as critical regulators of many molecular processes including transcription, alternative splicing and chromatin organization. Here, we report the presence of three conserved and thermodynamically stable RNA G-quadruplexes (rG4s) located in the 3 \& PRIME; region of MALAT1. Using rG4 domain-specific RNA pull-down followed by mass spectrometry and RNA immunoprecipitation, we demonstrated that the MALAT1 rG4 structures are specifically bound by two nucleolar proteins, Nucleolin (NCL) and Nucleophosmin (NPM). Using imaging, we found that the MALAT1 rG4s facilitate the localization of both NCL and NPM to nuclear speckles, and specific G-to-A mutations that disrupt the rG4 structures compromised the localization of both NCL and NPM in speckles. In vitro biophysical studies established that a truncated version of NCL (\& UDelta;NCL) binds tightly to all three rG4s. Overall, our study revealed new rG4s within MALAT1, established that they are specifically recognized by NCL and NPM, and showed that disrupting the rG4s abolished localization of these proteins to nuclear speckles
}, issn = {0305-1048}, doi = {10.1093/nar/gkad639}, author = {Ghosh, Arpita and Pandey, Satya Prakash and Joshi, Dheeraj Chandra and Rana, Priya and Ansari, Asgar Hussain and Sundar, Jennifer Seematti and Singh, Praveen and Khan, Yasmeen and Ekka, Mary Krishna and Chakraborty, Debojyoti and Maiti, Souvik} } @article {48761, title = {Identification of new modulator of DNA repairing pathways based on natural product ({\textpm})-peharmaline A}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {91}, year = {2023}, month = {AUG}, pages = {117365}, type = {Article}, abstract = {
The complex heterogenic environment of tumour mass often leads to drug resistance and facilitate chemo insensitivity triggering more malignant phenotypes among cancer patients. Major DNA-damaging cancer drugs have been consistently proven unsuccessful in terms of elevating chemo-resistance. (\& PLUSMN;)-peharmaline A, a hybrid natural product isolated from seeds of Peganum harmala L. possesses significant cytotoxic activities. Herein, we have described the design, and synthesis of a novel library of close and simplified analogues around the anticancer natural product (\& PLUSMN;)-peharmaline A and investigated their cytotoxic activities, which led to the identification of three structurally simplified lead compounds exhibiting better potency than parent natural product. Among them, demethoxy analogue of peharmaline A was further investigated for its anticancer potential eliciting demethoxy analogue as potent DNA-damage inducing agent attenuating the expression of the proteins responsible for the DNA damage repair. Therefore, this demethoxy analogue warrants detailed investigations for the confirmations of the molecular mechanism-based studies responsible for its anticancer activity.
}, keywords = {DNA damage, EMT, Pictet, Spengler reaction, Structure-activity relationship, Total synthesis}, issn = {0968-0896}, doi = {10.1016/j.bmc.2023.117365}, author = {Kulkarni, Akshay S. and Dash, Anshurekha and Shingare, Rahul D. and Chand, Jagdish and Manhas, Diksha and Singh, Aman and Nandi, Utpal and Goswami, Anindya and Reddy, D. Srinivasa} } @article {48449, title = {Identification of potential microRNAs regulating metabolic plasticity and cellular phenotypes in glioblastoma}, journal = {Molecular Genetics and Genomics}, volume = {298}, year = {2023}, month = {JAN}, pages = {161-181}, type = {Article}, abstract = {
MicroRNAs (miRNAs) play important role in regulating cellular metabolism, and are currently being explored in cancer. As metabolic reprogramming in cancer is a major mediator of phenotypic plasticity, understanding miRNA-regulated metabolism will provide opportunities to identify miRNA targets that can regulate oncogenic phenotypes by taking control of cellular metabolism. In the present work, we studied the effect of differentially expressed miRNAs on metabolism, and associated oncogenic phenotypes in glioblastoma (GBM) using patient-derived data. Networks of differentially expressed miRNAs and metabolic genes were created and analyzed to identify important miRNAs that regulate major metabolism in GBM. Graph network-based approaches like network diffusion, backbone extraction, and different centrality measures were used to analyze these networks for identification of potential miRNA targets. Important metabolic processes and cellular phenotypes were annotated to trace the functional responses associated with these miRNA-regulated metabolic genes and associated phenotype networks. miRNA-regulated metabolic gene subnetworks of cellular phenotypes were extracted, and important miRNAs regulating these phenotypes were identified. The most important outcome of the study is the target miRNA combinations predicted for five different oncogenic phenotypes that can be tested experimentally for miRNA-based therapeutic design in GBM. Strategies implemented in the study can be used to generate testable hypotheses in other cancer types as well, and design context-specific miRNA-based therapy for individual patient. Their usability can be further extended to other gene regulatory networks in cancer and other genetic diseases.
}, keywords = {Cellular phenotypes, Functional analysis, Glioblastoma metabolism, microRNA, miRNA-based therapy, Network analysis, Transcriptome}, issn = {1617-4615}, doi = {10.1007/s00438-022-01966-3}, author = {Bhowmick, Rupa and Sarkar, Ram Rup} } @article {48742, title = {i-Indigo-based self-assembled microparticles and their conversion to nanoparticles}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {AUG }, pages = {e202300859}, type = {Article}, abstract = {
Microscopic particles (MPs) are used to scatter and reflect UV light. It is well established that inorganic MPs such as TiO2 and ZnO produce carcinogens. Therefore, organic MPs are explored for UV absorption. Conjugated chromophores with differing lipophilicity usually self-assemble into nanoscopic structures. In our previous experiments, unsymmetrical i-Indigo was found to self-assemble into 500 nm particles. We hypothesized that the size of the self-assembled particles can be increased by increasing the lipophilicity difference between the side chains. Toward this objective, we have chosen the i-Indigo core with TEG and alkyl chains as side chains. As a result, the i-Indigo molecules were found to self-assemble into 3 \& mu; spheres in solution. By substituting side chains with different lipophilicity, i-Indigo microparticles with the size of 5 \& mu; are prepared. A careful analysis showed that the spheres are similar to a soccer ball, and they deflate upon drying on the substrate surface. The judiciously chosen side chain binds with a metal-ion (Cs+) and forms nanoscopic assemblies. After Cs+ binding, the size of the particles is decreased drastically to 100 nm. The simple addition of ions converts microscopic assemblies into nanoscopic assemblies.
}, keywords = {Isoindigo, microparticles, Nanoparticles, Self-assembly, UV absorber}, issn = {2365-6549}, doi = {10.1002/slct.202300859}, author = {Singh, Anup Kumar and Swain, Gitanjali} } @article {48458, title = {Imine oxidation catalyzed by zinc hydroxyapatite: kinetic studies}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {MAY}, pages = {e202203503}, type = {Article}, abstract = {
The synthesis of N,N-diphenylformamide from N-benzylideneaniline and urea hydrogen peroxide is investigated using a zinc hydroxyapatite (ZnHAP) catalyst. It was found that the catalyst resulted in the highest activity of 91 \% conversion and 40 \% selectivity at 130 degrees C in 2 h. A kinetic model was validated by Langmuir-Hinshelwood-Hougen-Watson (LHHW) at different temperatures and the absence of mass transfer resistance was proved by the Weisz Prater criterion. Effect of different catalysts, catalyst loading, temperature, mole-ratio, and speed of stirring was studied. The as-synthesized catalyst is characterized by FTIR, BET nitrogen adsorption-desorption, TEM, EDX, TPD-NH3, XPS, ICP-MS and XRD. ZnHAP catalyst was found to be stable up to three recycles with no loss in activity.
}, keywords = {heterogeneous catalysis, hydroxyapatite, imines, Oxidation, Reaction kinetics}, issn = {2365-6549}, doi = {10.1002/slct.202203503}, author = {Vishwakarma, Rakhi and Vinod, C. P. and Rathod, Virendra K. and Kantam, Mannepalli Lakshmi} } @article {48727, title = {Improving hydrodynamic cavitation using newer surface-coated cavitation reactors}, journal = {Chemical Engineering Research \& Design}, volume = {199}, year = {2023}, month = {NOV}, pages = {238-251}, type = {Article}, abstract = {
Surface-coated cavitation devices, vortex diode (SCVD) have been reported for the first time for enhancing efficiency of hydrodynamic cavitation (HC). Two surface-coated cavitation reactors using coating of copper and nickel (-50 mu m) were evaluated, also comparing results with conventional reactor vortex diode. The proof of concept is successfully demonstrated for complete degradation of two model organic pollutants, antibioticscephalexin (CFX) and ciprofloxacin (CIP). The surface-coated reactors provide dual activity, and the catalytic effect is highly pronounced with process intensification using H2O2 and/ or pH alternations. Integration of SCVD, pH and H2O2 was the most effective strategy. Complete degradation of the antibiotics was achieved within minutes with H2O2 (-1000 molar ratio) for both Cu and Ni-surface-coated cavitation reactors compared to lower degradation of-19\% for CFX and-37\% for CIP using only HC. An excellent enhancement of over 300\% for CFX degradation at pH 11 and-170\% for CIP degradation at pH 4 was obtained. Huge enhancements in per-pass degradation and cavitational yields (up to 400 times) clearly highlight the utility of the surface-coated cavitation reactors in various applications and for cost-effectiveness.(c) 2023 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Hydrodynamic cavitation, Oxidation, pollution, Reactor, Technology, Wastewater treatment}, issn = {0263-8762}, doi = {10.1016/j.cherd.2023.10.002}, author = {Dixit, Divya and Thanekar, Pooja and Bhandari, Vinay M.} } @article {48680, title = {In silico identification and characterization of the SNPs in the human ASTL gene and their probable role in female infertility}, journal = {Frontiers in Cell and Developmental Biology}, volume = {11}, year = {2023}, month = {JUN}, pages = {1151672}, type = {Article}, abstract = {
Ovastacin (ASTL), a zinc metalloprotease, is released from a fertilized egg during exocytosis of cortical granules which occurs minutes after the sperm and egg fuse. ASTL cleaves ZP2, one of the four primary glycoproteins of human zona pellucida, and this cleavage prevents polyspermy, causes zona pellucida hardening, and also protects the pre-implantation embryo. Any perturbation in the activity of ASTL can thus disturb this process and may lead to infertility without changing the gross morphology of the oocyte. A small amount of ASTL is also released by unfertilized oocytes but its catalytic activity is absent as it is bound by its inhibitor, Fetuin-B (FETUB). Pre-mature release of ASTL when FETUB is absent also causes infertility. To identify and understand the structural and functional effects of deleterious SNPs of ASTL on its interaction with ZP2 and FETUB and hence on fertility, a total of 4,748 SNPs from the dbSNP database were evaluated using a variety of in silico tools. All of the 40 shortlisted nsSNPs were present in the catalytic domain of the protein. Comparison of the wild type with mutants using MutPred2 suggests an alteration in the catalytic activity/zinc binding site in many SNPs. Docking studies show the involvement of hydrophobic interactions and H bonding between ASTL and ZP2 and also between ASTL and FETUB. Four positions in ASTL involved in the hydrophobic interactions (P-105 and D-200 between ASTL and ZP2; D-198 and L-278 etween ASTL and FETUB) and 5 in H bonding (E-75 and R-159 between ASTL and ZP2; and K-93, R-159, and C-281 between ASTL and FETUB) have SNP{\textquoteright}s associated with them validating their importance. Interestingly, a cluster of multiple SNPs was found in the motif (DRD200)-D-198, which is also a well-conserved region among several species. Statistical Coupling Analysis (SCA) suggested that the deleterious SNPs were present in the functionally important amino acid positions of ASTL and are evolutionarily coupled. Thus, these results attempt to identify the regions in ASTL, mutations in which can affect its binding with ZP2 or FETUB and cause female infertility.
}, keywords = {ASTL, female infertility, fertilization, omics, ovastacin, single nucleotide polymorphism}, issn = {2296-634X}, doi = {10.3389/fcell.2023.1151672}, author = {Suri, Kapali and Rajput, Neha and Sharma, Priya and Omble, Aishwarya D. and Kulkarni, Kiran and Gahlay, Gagandeep K.} } @article {48912, title = {In vitro anticancer evaluation of enceleamycin A and its underlying }, journal = {RSC Advances }, volume = {13}, year = {2023}, month = {NOV }, pages = {34183-34193}, type = {Article}, abstract = {
It has become more crucial than ever to find novel anticancer compounds due to the rise in cancer mortality and resistance to the present chemotherapeutic drugs. Naphthoquinones are regarded as privileged structures for their ability to inhibit various cancers. The current study examined three novel furo-naphthoquinones (Enceleamycins A-C) previously isolated from Amycolatopsis sp. MCC 0218 for their anticancer potential. Enceleamycin A demonstrated considerable cytotoxicity for triple-negative breast cancer (TNBC) MDA-MB-231 cells with an IC50 value of 1.25 mu g mL(-1) (3.78 mu M). It also showed the ability to inhibit MDA-MB-231 cell migration. Enceleamycin A raises intracellular ROS levels in TNBC cells, ultimately leading to apoptotic cell death, as demonstrated by Annexin V/PI staining. The molecular docking and simulation investigation revealed better binding affinity of Enceleamycin A with AKT2, which plays a vital role in breast cancer{\textquoteright}s invasiveness and chemo-resistance. Enceleamycin A inhibits the AKT2 enzyme in vitro with an IC50 value of 0.736 mu g mL(-1) (2.22 mu M), further validating the docking study. The in silico physicochemical and pharmacokinetics characteristics of Enceleamycin A demonstrated its drug-likeness. Intriguingly, Enceleamycin A is non-hemolytic in nature. Taken together, Enceleamycin A could be a candidate molecule for treating TNBC cells by targeting the AKT2 signaling pathway.
}, keywords = {Assay, cancer, Derivatives, Naphthoquinones, Plays}, doi = {10.1039/d3ra06204j}, author = {Khan, Abujunaid and Pradeep, S. and Dastager, Syed G.} } @article {48691, title = {Industry-oriented method for the aqueous phase oxidation of crude 5-hydroxymethyl furfural (HMF) to 2,5-furandicarboxylic acid (FDCA)}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {AUG }, pages = {15325-15335}, type = {Article}, abstract = {
Valorization of cellulose, hemicellulose, and lignin into value-added industrially relevant chemicals is important to achieve sustainability goals that various governments and industries have set. In view of this, the oxidative synthesis of 2,5-furandicarboxylic acid (FDCA) from 5-hydroxymethyl furfural (HMF) as an analogous compound to terephthalic acid in the synthesis of PEF is interesting to researchers. Though advancements in the oxidation of HMF have been made, the efficient synthesis of HMF, its storage, and isolation are great challenges due to its instability under normal conditions. While purified HMF can be used to synthesize FDCA, it is imperative to use crude HMF for the synthesis of FDCA since several techno-economical studies reveal that the purification of HMF is the most cost-intensive step. Herein, we demonstrate the oxidation of crude HMF, synthesized in the laboratory to FDCA, using nonprecious-based mixed metal oxides in the aqueous medium in the presence of oxygen/air. Among various catalysts, Cu-Mn catalyst at 120 \& DEG;C within 8 h in the presence of oxygen (10 bar) could yield 90\% FDCA. This activity was comparable with that of the commercially available and well-studied Ru/C (5 wt\%) catalyst (93\% yield). In addition, the role of HMF purity, air as an oxidant, and the influence of temperature, pressure, and time is systematically studied. It is also demonstrated that FDCA formation proceeds via HMFCA and FFCA formation. The isolation of FDCA and its purity (\>99\%) is corroborated with various techniques such as NMR, IR, and HRMS.
}, issn = {1144-0546}, doi = {10.1039/d3nj01834b}, author = {Lokhande, Priya and Sonone, Kalyani and Dhepe, Paresh L.} } @article {49005, title = {Influence of van der waals interactions between the alkyl chains of surface ligands on the size and size distribution of nanocrystals prepared by the digestive ripening process}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {NOV}, pages = {17733-17744}, type = {Article}, abstract = {
Thermal heating of polydispersed nanocrystals (NCs) with surface-active organic ligands in a solvent leads to the formation of monodispersed NCs, and this process is known as digestive ripening (DR). Here, by performing DR on Au NCs using different-chain-length amine and thiol ligands, we evidently show that ligands with C-12 chain length result in the formation of NCs with narrow size distributions when compared to C-8, C-16, and C-20 chain length ligands. Furthermore, our findings also show that in the case of alkyl thiol, the NC size remains more or less the same, while the size distribution gets altered significantly with the chain length. On the other hand, both size and size distribution are affected significantly when the alkyl amine chain length is varied. Fourier transform infrared (FTIR) studies indicate that the van der Waals (vdW) interactions are weakest when the amine with C-12 carbon chain is used as the DR agent, while in the case of thiols, molecules with C-8 and C-12 chain lengths have nearly the same vdW interactions (with C-12 slightly weaker than C-8), which are weaker than those of C-16 and C-20. Molecular dynamics (MD) simulation results corroborate the experimental observations and suggest that due to more defects in the alkyl chain, the C-8 and C-12 (amine as well as thiol) ligands are disordered and less stable on Au(111) and Au(100) surfaces. This could result in efficient etching and redeposition, making the ligands with C-8 and C-12 chain lengths the better DR agents.
}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c02316}, author = {Shimpi, Jayesh R. and Thomas, Rinto and Meena, Santosh Kumar and Prasad, Bhagavatula L. V.} } @article {48808, title = {Inhibition of amyloid β1-42 peptide aggregation by newly designed cyclometallated palladium complexes}, journal = {International Journal of Biological Macromolecules}, volume = {248}, year = {2023}, month = {SEP }, pages = {125847}, type = {Article}, abstract = {
Uncontrolled amyloid aggregation is a frequent cause of neurodegenerative disorders such as prions and Alzheimer{\textquoteright}s disease (AD). As a result, many drug development approaches focus on evaluating novel molecules that can alter self-recognition pathways. Herein, we designed and synthesized the cyclometallated pyrene (Pd-1 and Pd-3) and anthracene (Pd-2) based palladium complexes ([Pd((L-1)Cl] Pd-1, [Pd(L-2)Cl](Pd-2), and [Pd(L-3)Cl] (Pd-3)). This study explores the effect of these complexes on the aggregation, fibrillation, and amyloid formation of bovine serum albumin (BSA) and A beta(1-42) peptide. Several spectroscopic methods were used to characterize all the Pd-complexes, and the molecular structure of Pd -3 was determined by X-ray crystallography. The secondary structures were studied using circular dichroism (CD) and transmission electron microscopy (TEM), while am-yloid aggregation and inhibitory activities were investigated using the Thioflavin-T (ThT) fluorescence assay. Molecular docking of the Pd-complex (Pd-3) was done using fibril (PDB: 2BEG) and monomeric (PDB: 1IYT) peptides using Auto-dock Vina. As a result, the hydrogen bonding and hydrophobic interaction between the aromatic rings of the Pd-complexes and the amino acids of amyloid-beta peptides significantly reduced the pro-duction of ordered beta-sheets of amyloid fibrils and protein aggregation in the presence of Pd-2 and Pd-3 complexes.
}, keywords = {A beta(1-42) peptide, Aggregation and molecular docking, Palladium complex}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2023.125847}, author = {Saini, Rahul and Navale, Govinda R. and Singh, Sain and Singh, Haobam Kisan and Chauhan, Rahul and Agrawal, Sonia and Sarkar, Dhiman and Sarma, Manabendra and Ghosh, Kaushik} } @article {49127, title = {Inhibitory effect of curcumin-artemisinin co-amorphous on Tau aggregation and Tau phosphorylation}, journal = {Colloid and Surfaces B-Biointerfaces}, volume = {221}, year = {2023}, month = {JAN}, type = {Article}, abstract = {
Tau is a natively unfolded microtubule-associated protein. Tau neurofibrillary tangles are one of the hallmarks of Alzheimer{\textquoteright}s disease. The post-translational modifications of Tau lead to its pathological state. Phosphorylation is the key post-translational modification associated with Tauopathy. Curcumin is a polyphenolic compound pre-sent in the rhizomes of Curcuma longa. Curcumin has been reported to have remarkable medicinal properties in several diseases, but its poor solubility limits its therapeutic potency. Artemisinin is a sesquiterpene lactone, which has been known sience ancient times for its applications as a treatment for various diseases such as malaria, cancer, autoimmune disease, etc. In the present study, the potency of crystalline curcumin, crystalline artemisinin, and Cur-Art co-amorphous dispersion were evaluated against Tau pathology. The in-vitro ThS/ANS fluorescence and electron microscopy results suggested that curcumin and Cur-Art efficiently inhibited Tau aggregation. Furthermore, exposure to curcumin and Cur-Art co-amorphous restored the impaired nuclear transport in formaldehyde-stressed cells. Curcumin was also found to modulate the phosphorylation of Tau, which indicated the neuroprotective potency. Thus, curcumin and Cur-Art co-amorphous exhibit therapeutic potential against Tau protein in Alzheimer{\textquoteright}s disease.
}, keywords = {artemisinin, curcumin, Phosphorylation, Tau Aggregation}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2022.112970}, author = {Dubey, Tushar and Sonawane, Shweta Kishor and Mannava, M. K. Chaitanya and Nangia, Ashwini K. and Chandrashekar, Madhura and Chinnathambi, Subashchandrabose} } @article {48684, title = {Insights into adsorption of various gases on extra-framework cations of zeolite: a dispersion corrected DFT study on zeolite cluster models with Li plus , Na plus and K plus ions}, journal = {Microporous and Mesoporous Materials}, volume = {361}, year = {2023}, month = {Nov}, pages = {112739}, type = {Article}, abstract = {
Design of an economical and sustainable gas separation material is relevant in several industrial processes. Zeolites with tunable pore sizes are ideal molecular sieves of many gases. The adsorption centers of these molecular sieves are extra-framework Lewis acid centers. In this study, we attempt to delineate the electronic properties of such centers (Li+, Na+ and K+) and their sorption properties towards N2, O2, CO, CO2 and H2. Negative framework of zeolites are modeled using different cluster models that present distinct electronic environment and role of this environment on the Lewis acidity of the cation. The sorption property towards different gases is evaluated using dispersion corrected DFT studies. The results obtained are benchmarked for one of the studied model using CCSD calculations. The results indicate that while the local environment modulates the adsorption properties, the relative adsorption properties between different ions follow the same order irrespective of the type of negative framework modeled. This reveals that intrinsic atomic properties of the charge compensating cations drive the sorption properties of the zeolites. Adsorption energies compounded with the analysis of IR stretching frequencies of the adsorbed gases reveals that Li centers shows molecular adsorption (charge donation to the cationic centers) towards N2 as compared to O2 and towards CO2/CO as compared to H2, demonstrating the applicability of Li-Zeolites as ideal membranes for oxygen concentrators and syngas separation. These adsorption studies are ratified by the BOMD simulations at 300 K, where H2 and O2 desorbs while N2, CO and CO2 remains adsorbed to the cationic site.
}, keywords = {BOMD simulation, CO/CO2/H2 separation, Extra-framework cation, N2/O2 separation, zeolites}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2023.112739}, author = {Devasia, George and Kumar, Ravi and Vaval, Nayana and Krishnamurty, Sailaja} } @article {48686, title = {Insights into the synthesis and kinetics of silver-on-silica core-shell particles}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {JUL}, pages = {9681-9692}, type = {Article}, abstract = {
In this study, a heterogeneous nucleation and growthmodel hasbeen developed to explore the formation mechanism of silver-depositedsilica core-shell particles based on the reaction kinetics.To validate the core-shell model, the time-dependent experimentaldata were quantitatively examined and in situ reduction,nucleation, and growth rates were estimated by optimizing the concentrationprofiles of reactants and deposited silver particles. Using this model,we also attempted to predict the change in the surface area and diameterof core-shell particles. The concentration of the reducingagent, metal precursor, and reaction temperature were found to havea strong influence on the rate constants and morphology of core-shellparticles. Higher rates of nucleation and growth often produced thick,asymmetric patches that covered the entire surface, whereas lowerrates produced sparsely deposited silver particles with a sphericalshape. The result revealed that by simply tuning the process parametersand controlling the relative rates, the morphology of deposited silverparticles and the surface coverage can be controlled while retainingthe spherical shape of the core. The present study aims to offer comprehensivedata pertaining to the nucleation, growth, and coalescence processesof core-shell nanostructures which will aid in the developmentand understanding of the principles that govern the formation of nanoparticle-coatedmaterials.
}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c00624}, author = {Jundale, Rajashri B. and Bari, Atul H. and Kulkarni, Amol A.} } @article {48315, title = {Interactive study of Au-20 nanocluster and methyl substituted amide linked tyrosine/tryptophan to develop representative model for studying protein-nanoparticle interaction}, journal = {Journal of Molecular Structure}, volume = {1272}, year = {2023}, month = {JAN}, pages = {134177}, type = {Article}, abstract = {
Investigations on UV-vis, steady-state fluorescence and synchronous fluorescence properties of human hemoglobin (HHb) reveals greater spectral shifts in peaks arising due to alterations in microenvironment of Tyr-compared to Trp-during interactions with gold nanoparticle (GNP). Besides, interactions of Au-20 nanocluster with modified Tyr/Trp (possessing methyl substituted amide bonds) by quantum chemical calculations demonstrate significant role of amide bonds and the spectral shift, binding energy and alteration in bond distances appear to be higher for modified Tyr-compared to modified Trp. Moreover, close resemblance of frequency shift of modified Tyr/Trp-in presence of Au 20 is observed with respect to the experimental FT-IR study of HHb upon interaction with GNP, suggesting participation of amide bonds in both cases. Furthermore, CD DFT calculations using optimized helical stretch of HHbin presence of Au-20 and experimental CD results of HHb in presence of GNP further indicate participation amide bonds and biocompatibility of GNP. Apparently, the theoretical and experimental interactions are going in good agreement with each other. Overall, the study of interactions of modified Tyr/Trp-as representative models of protein microenvironment and Au-20 nanocluster as prototype of GNP to develop models for exploring protein nanoparticle interactions has been highlighted. (C) 2022 Elsevier B.V. All rights reserved.
}, keywords = {amide bonds, Au-20 nanocluster, Gold nanoparticle, Human hemoglobin, Modified Tyr/Trp}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2022.134177}, author = {Sen Banerjee, Nineesha and Ghosh, Deborin and Mitra, Ishani and Paul, Somnath and Show, Bibhutibhushan and Ganguly, Tapan and Chakraborty, Madhurima} } @article {48969, title = {Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties}, journal = {Chemical Science }, volume = {14}, year = {2023}, month = {DEC }, pages = {13755-13764}, type = {Article}, abstract = {
We report the first examples of intramolecular phosphine-stabilized tetra-coordinated germanium(iv) di-cationic compounds: [(L2Ge)-Ge-iPr][CF3SO3](2)3iPr and [(L2Ge)-Ge-Ph][CF3SO3](2)3Ph (L-iPr = 6-(diisopropylphosphanyl)-1,2-dihydroacenaphthylene-5-ide; L-Ph = 6-(diphenylphosphanyl)-1,2-dihydroacenaphthylene-5-ide). The step wise synthetic strategy involves the isolation of neutral and mono-cationic Ge(iv) precursors: [(L2GeCl)-Ge-iPr][X] (X = GeCl(3)1iPr, OTf 2iPr), [(L2GeCl2)-Ge-Ph] 1Ph and [(L2GeCl)-Ge-Ph][OTf] 2Ph. Both 3iPr and 3Ph exhibit constrained spiro-geometry. DFT studies reveal the dispersion of di-cationic charges over P-Ge-P sites. Anion or Lewis base binding occurs at the Ge site resulting in relaxed distorted trigonal bipyramidal/tetrahedral geometry. 3iPr and 3Ph activate the Si-H bond initially at the P-site. The hydride ultimately migrates to the Ge-site rapidly giving [(L2GeH)-Ge-Ph][CF3SO3] 3PhH, while sluggishly forming [(L2GeH)-Ge-iPr][CF3SO3] 3iPrH. Compounds 3iPr and 3Ph were tested as catalysts for the hydrosilylation of aromatic aldehydes. While catalytic hydrosilylation proceeded via the initial Et3Si-H bond activation in the case of 3iPr, compound 3Ph as a catalyst showed a masked Frustrated Lewis Pair (FLP) type reactivity in the catalytic cycle.
}, issn = {2041-6520}, doi = {10.1039/d3sc03717g}, author = {Peddi, Balakrishna and Khan, Souvik and Gonnade, Rajesh G. and Yildiz, Cem B. and Majumdar, Moumita} } @article {48450, title = {Intrinsic charge polarization in Bi19S27Cl3 nanorods promotes selective C-C coupling reaction during photoreduction of CO2 to ethanol}, journal = {Advanced Materials}, volume = {35}, year = {2023}, month = {FEB}, type = {Article}, abstract = {
Obtaining multi-carbon products via CO2 photoreduction is a major catalytic challenge involving multielectron-mediated C-C bond formation. Complex design of multicomponent interfaces that are exploited to achieve this chemical transformation, often leads to untraceable deleterious changes in the interfacial chemical environment affecting CO2 conversion efficiency and product selectivity. Alternatively, robust metal centers having asymmetric charge distribution can effectuate C-C coupling reaction through the stabilization of intermediates, for desired product selectivity. However, generating inherent charge distribution in a single component catalyst is a difficult material design challenge. Here, a novel photocatalyst, Bi19S27Cl3, is presented which selectively converts CO2 to a C-2 product, ethanol, in high yield under visible light irradiation. Structural analysis through transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy reveals the presence of charge polarized bismuth centers in Bi19S27Cl3. The intrinsic electric field induced by charge polarized bismuth centers renders better separation efficiency of photogenerated electron-hole pair. Furthermore, charge polarized centers yield better adsorption of CO* intermediate and accelerate the rate determining C-C coupling step through the formation of OCCOH intermediate. Formation of these intermediates is experimentally mapped by in situ Fourier-transform infrared spectroscopy and further confirmed by theoretical calculation.
}, keywords = {C-C coupling, charge polarization, CO2 reduction, Ethanol, Photocatalysis}, issn = {0935-9648}, doi = {10.1002/adma.202205994}, author = {Das, Kousik and Das, Risov and Riyaz, Mohd and Parui, Arko and Bagchi, Debabrata and Singh, Ashutosh Kumar and Singh, Abhishek Kumar and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48461, title = {Investigating the ferrimagnetic behaviour of trigonal 3C Fe7S8 nanoparticles}, journal = {Bulletin of Materials Science}, volume = {46}, year = {2023}, month = {MAY}, pages = {108}, type = {Article}, abstract = {
The magnetic properties of trigonal 3C Fe7S8 nanoparticles, synthesized via the thermal decomposition method, are investigated using temperature-dependent zero-field cooled (ZFC) and field-cooled (FC) magnetization (M-T) curves. The M-T data, recorded at 100 and 1000 Oe, reveal magnetic ordering with high Curie transition temperature (T-C \> 300 K) in the specimen. The magnetization vs. applied magnetic field (M-H) data measured in the temperature range from 7 to 300 K show that the compound exhibits ferrimagnetic ordering. The values of coercivity (H-C), saturation magnetization (M-60 kOe) and remanent magnetization (M-R) appear to increase at lower measuring temperatures. As the result of increasing M-60 kOe at lower measuring temperatures, within the temperature range of 7 to 300 K, the maximum energy product (BHmax) has the highest value of 128 kG Oe at 7 K.
}, keywords = {anisotropy, energy product, Fe7S8, ferrimagnetism, Pyrrhotites, trigonal phase}, issn = {0250-4707}, doi = {10.1007/s12034-023-02943-1}, author = {Jyotsna, Shubhra and Poddar, Pankaj} } @article {48339, title = {Investigation and analysis of structural and electrochemical properties of highly ionic conductive La2-xSrxSn2O7-delta electrolyte for SOFC applications}, journal = {Chemical Papers}, volume = {77}, year = {2023}, month = {MAY}, pages = {2697-2705}, type = {Article}, abstract = {
This study primarily focused on the investigation, synthesis and analysis of lanthanum and tin pyrochlores electrolytes for solid oxide fuel cell (SOFC) applications. Ceramic samples with diverse compositions of La2-xSrxSn2O7-delta (x = 0.05, 0.1, 0.15, 0.2, 0.25, and 0.3) were synthesized by using solid-state reaction (SSR) methods. The prepared La2-xSrxSn2O7-delta samples were characterized by using X-ray diffraction, scanning electron microscopy and electrochemical impedance spectroscopy measurements. The results were further interpreted regarding the formation of high oxygen vacancy and structural disorder in the La2-xSrxSn2O7-delta matrix. The doping of lanthanum (La3+) by strontium (Sr2+) had a beneficial and remarkable effect on the structural and electrical properties: the increase in dopant (Sr) concentration decreased the lattice parameters of the crystalline phase and enhanced the creation of oxygen vacancies, which consequently increased the ionic conductivity and decreased the activation energy. Thus, it could be understood that the studied new La2-xSrxSn2O7-delta electrolyte would be one of the potential candidates for intermediate temperature SOFC applications.
}, keywords = {Electrolyte, Impedance spectroscopy, Ionic conductivity, Pyrochlore, SOFC}, issn = {0366-6352}, doi = {10.1007/s11696-022-02659-2}, author = {Melit, Fatima and Bounar, Nedjemeddine and Shaikh, Shabana P. S. and Deshpande, Manish and Steil, Marlu Cesar} } @article {48471, title = {Investigation of Al2O3 induced variations in the structural parameters in strontium borosilicate glasses using solid state NMR}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {MAY }, pages = {13550-13559}, type = {Article}, abstract = {
The physical properties of oxide glasses are crucially dependent on the atomistic structural speciation. In this study, we investigate the variation in the local ordering in the glass network of strontium borosilicate glasses (34.82 SrO, 51.84 B2O3, 13.34 SiO2 in mol\%) with a progressive substitution of B2O3 by Al2O3 and estimate the structural parameters: the oxygen packing fraction, and the average network coordination number. The coordination of the network forming cations at various glass compositions is determined using B-11, Al-27, and Si-29 solid-state nuclear magnetic resonance (SSNMR). The SSNMR reveals that at the higher substitution of B2O3 by Al2O3 in the glass composition, the coordination network of Al3+ exists predominantly in the 4 coordinated state, the network forming B3+ cations transform from a tetrahedral BO4 to a trigonal BO3 structure, and the Q(4) form of silicates is dominant. The average coordination number and the oxygen packing fraction were calculated using the parameters obtained from the SSNMR results, and it is observed that the average coordination number decreases, and the oxygen packing fraction increases on incorporating Al. It is interesting to note that some of the thermophysical properties of these compositions closely follow the pattern shown by the average coordination number and the oxygen packing fraction.
}, issn = {1463-9076}, doi = {10.1039/d3cp00751k}, author = {Illath, Kavya and Ojha, Prasanta K. and Rath, Sangram K. and Ajithkumar, T. G.} } @article {49131, title = {Investigation of cold-active and mesophilic cellulases: opportunities awaited}, journal = {Biomass Conversion and Biorefinery}, volume = {13}, year = {2023}, month = {JUL}, pages = {8829-8852}, type = {Review}, abstract = {
In the recent decade, the global demand and fuel prices have urged a need to track down an alternate resource. Second-generation (2G) biofuel from the lignocellulosic biomass (LCB) is trending as the fundamental alternative resource. Although LCB is the most abundantly available renewable resource, its commercialization into 2G biofuel technology is a major challenge. Efficient LCB hydrolysis requires a proper lignocellulolytic enzyme cocktail. In view to addressing this problem, several researchers are investigating for efficient enzymes to hydrolyze LCB. To date, there are very few commercial enzymes that aid in the breakdown of LCB, and these enzymes are traditionally isolated from culturable microbes. As only 1\% of the microbes can be cultivated in the laboratory, the potentials of the uncultured remain under-explored. In the recent decade, advances in metagenomics using next-generation sequencing (NGS) technologies have revealed the vast diversity of hydrolytic enzymes and multiple domain proteins in the ecosystem. Aiming this, we focus our review on investigating efficient cold-active and mesophilic cellulases from the metagenome. India is an agro-based country with various climatic regions, ranging from warm and humid in the south to mild or moderate and cold or snowy in the Himalayan north; therefore, both cold-active and mesophilic cellulases are needed for LCB to ethanol. Along with downsizing, the conversion cost of LCB to fermentable sugars not only increases the enzymatic conversion but also increases the fermentation efficiency, which ultimately helps to commercialize the second-generation biofuel technology. Metagenomics is an evolving concept, and it has opened new horizons for the discovery of micro-organisms and new enzymes.
}, keywords = {cellulases, Glycosyl hydrolase, Lignocellulosic biomass, Metagenomics, simultaneous saccharification and fermentation}, issn = {2190-6815}, doi = {10.1007/s13399-021-02047-y}, author = {Chavan, Sambhaji and Shete, Ashvini and Mirza, Yasmin and Dharne, Mahesh S.} } @article {48259, title = {Investigation of the effect of zeolite supports and the role of W-species for one-pot catalytic conversion of cellulose to ethylene glycol: theoretical \& experimental studies.}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {FEB }, type = {Article}, abstract = {
Endeavors were made to study the influence of various zeolite (HY, NaY, NaZSM-5 and HZSM-5) supports with (Al)-Ni-W metal combination catalysts for the ethylene glycol (EG) production, selectively from cellulose. From the experimental results ZSM-5 (NaZSM-5/73.3\% \& HZSM-5/67.7\%) support is superior over HY \& NaY support in selective EG production from cellulose. It was understood that W- species with oxygen vacancies (WO3-x, XPS analysis) plays an important role in producing the glycolaldehyde (GA) intermediate (via C-C cleavages), which on hydrogenation over Ni- sites selectively produce EG. Further, the studies based on the Density Functional Theory (DFT) were conducted to substantiate the involvement of the WO3-x species in the reaction. The adsorption energies and structural changes establish that the C-2-C-3 bond of the glucose elongates and thereby activates on adsorbing to WO3-x sites supporting the formation of GA. Activation of GA on Ni- sites is distinguished by an increase of 0.1 angstrom in C=O bond length, which facilitates the hydrogenation of C=O resulting in EG. The reaction pathway is explained through an analysis of CDD and DOS.
}, keywords = {Cellulose hydrogenolysis, DFT studies, ethylene glycol, zeolites}, issn = {1861-4728}, doi = {10.1002/asia.202201202}, author = {Sreekantan, Sreejith and Singh, Chandrodai Pratap and Krishnamurty, Sailaja and Marimuthu, Banu} } @article {48693, title = {Iron-catalysed highly selective hydroalkoxycarbonylation of alkynes using CO as C1 source}, journal = {Catalysis Science \& Technology}, volume = {13}, year = {2023}, month = {OCT }, pages = {5549-5555}, type = {Article}, abstract = {
Though precious and rare, late-transition metals have been extensively used in metal-catalysed carbonylation reactions in organic transformations. On the other hand, base metals are abundant and cheap, but their practical utilization in carbonylation reactions is rarely explored. Here, we report iron-catalysed hydroalkoxycarbonylation of alkynes to alpha,beta-unsaturated esters in one pot. A readily available iron precursor [Fe2(CO)9] in the presence of a diimine ligand L7 catalyzes the conversion of alkynes to alpha,beta-unsaturated esters under 10 bar CO pressure. This operationally simple protocol tolerates various functional groups and allows facile access to about 40 alpha,beta-unsaturated esters. The synthetic utility of the reaction has been demonstrated by scaling up the reaction to 1 g and by preparing sunscreen/antifungal agents. The kinetic study suggests that the reaction is an approximate 1st order with respect to the iron catalyst, and the initial rate of the reaction is 3.6 x 10-2 M h-1. Mechanistic investigations using NMR spectroscopy indicated the existence of an [Fe-H] intermediate, and control experiments using a radical trapping reagent and EPR revealed the absence of any radical species in the reaction. Precious and rare, late transition metals have been extensively used in carbonylation. An earth abundant iron-catalyst is reported here for hydroalkoxycarbonylation of alkynes in the presence of CO as C1 source.
}, issn = {2044-4753}, doi = {10.1039/d3cy00843f}, author = {Tewari, Tanuja and Kumar, Rohit and Chikkali, Samir H.} } @article {48924, title = {Iron-catalyzed alkoxylation, dehydrogenative-polymerization and tandem hydrosilylative-alkoxylation}, journal = {Chemistry- a european journal }, volume = {29}, year = {2023}, month = {AUG }, type = {Article}, abstract = {
Alkoxylation, hydrosilylative-alkoxylation, and dehydrogenative-polymerization are some of the most widely used transformations in synthetic chemistry. However, these transformations are traditionally catalyzed by precious, and rare late-transition metals. Presented here is a molecularly defined iron complex that catalyzes alkoxylation, tandem hydrosilylative-alkoxylation, and dehydrogenative polymerization of silanes under mild conditions. The iron complex [Fe(CO)(4)(H)(SiPh3)] 1 catalyzes a direct Si-O coupling reaction between an array of silanes and alcohols to produce desired alkoxysilanes in excellent yield, with H-2 as the only byproduct. The iron catalyst tolerates various functional groups and provides access to 20 alkoxysilanes, including essential molecules such as \& beta;-citronellol and cholesterol. Further, complex 1 catalyzes the polymerization of renewable diol and silane monomer to produce a renewable and degradable poly(isosorbide-silyl ether). Remarkably, complex 1 catalyzes a tandem hydrosilylative-alkoxylation of alkynes under mild conditions to yield unsaturated silyl ethers. The synthetic utility has been demonstrated by gram-scale alkoxylation and hydrosilylative-alkoxylation reactions.
}, keywords = {alkoxylation, dehydrogenative polymerization, earth abundant catalysts, hydrosilylative-alkoxylation, Iron Catalyst}, issn = {0947-6539}, doi = {10.1002/chem.202301375}, author = {Sen, Anirban and Kumar, Rohit and Tewari, Tanuja and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {48311, title = {Iron-catalyzed magnesium-mediated formal hydroformylation of alkynes and alkenes}, journal = {ChemCatChem}, volume = {15}, year = {2023}, month = {FEB }, type = {Article}, abstract = {
Alkynes and alkenes are routinely converted to corresponding synthetically versatile aldehydes using rhodium-catalyzed hydroformylation. However, rhodium is rare, precious, costly, and depleting at a considerably high rate. Reported here is iron-catalyzed, magnesium-mediated, formal hydroformylation of alkynes and alkenes in the absence of syngas. Readily available FeCl2 in the presence of alkyl magnesium halide, and dimethyl formamide, catalyzes hydroformylation of various alkynes and selectively produces alpha,beta-unsaturated aldehydes in good to excellent conversion. Mechanistic investigations revealed the presence of vinyl magnesium intermediate, the kinetic study disclosed the first-order dependence of the reaction on iron loading, and the control experiment authenticated the iron catalyst{\textquoteright}s homogeneous nature. The scope of this methodology was amplified, and 20 alkenes were examined. [Fe(acac)(3)] in the presence of ligand, alkyl magnesium halide, and dimethyl formamide catalyzed the hydroformylation of alkenes and displayed good to excellent conversion. An earth-abundant iron catalyst offering a syngas cylinder-free safe alternative to high-pressure hydroformylation has been reported.
}, keywords = {aldehydes, alkenes, Alkynes, Hydroformylation, iron catalysis}, issn = {1867-3880}, doi = {10.1002/cctc.202201394}, author = {Tewari, Tanuja and Kumar, Rohit and Chikkali, Samir H.} } @article {48957, title = {Iron-catalyzed regioselective C-H alkylation of indoles: an additive-free approach in renewable solvent}, journal = {Green Chemistry }, volume = {25}, year = {2023}, month = {NOV }, pages = {9733-9743}, type = {Journal Article}, abstract = {
Alkylated indoles are important motifs in various biologically active molecules and drug candidates. Herein, we report a mild and efficient iron-catalyzed protocol for synthesizing alkylated indoles via C-H bond alkylation of indoles with unactivated alkenes, demonstrating a high level of regioselectivity. The reaction occurs under additive-free, solvent-free (or trace green solvent, 2-MeTHF) and less energy-intensive conditions using a sustainable metal catalyst and provides easy access to privileged alkylated indoles with anti-Markovnikov selectivity. Alkylation is compatible with important functionalities, such as fluoro, chloro, trifluoromethyl, alkenyl, ether, thioether, silyl, and siloxane, including heteroaryl, pyridinyl, carbazolyl, and indolyl moieties (45 examples, up to 96\% yield). The developed protocol is very simple, straightforward, and fully accords with the principles of green chemistry. A detailed mechanistic investigation manifests the facile indole{\textquoteright}s C-H activation at the Fe(0) center, reversible 1,2-insertion of the alkene into the Fe-H bond of a metallacycle, and a turnover-limiting reductive elimination. Alkylated indoles are important motifs in various biologically active molecules and drug candidates.
}, keywords = {Aromatic Ketones, Green, organic synthesis}, issn = {1463-9262}, doi = {10.1039/d3gc03709f}, author = {Pradhan, Chandini and Jagtap, Rahul A. and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Punji, Benudhar} } @article {48464, title = {Isolation and biochemical characterization of acid phytase from aspergillus niger and its applications in dephytinization of phytic acid in poultry feed ingredients}, journal = {Microbiology}, volume = {92}, year = {2023}, month = {APR}, pages = {221-229}, type = {Article}, abstract = {
Acidic phytase (PHY-B) was isolated from Aspergillus niger BIONCL8 strain, and assessed its application for the dephytinization of poultry feed ingredients. Aspergillus niger BIONCL8 strain was identified by precise molecular methods by targeting internal transcribed spacer (ITS) region of the fungi and molecular detection of PHY gene in the strain was confirmed by sequence analysis with respect to PHY production. The enzyme was isolated and purified by DEAE Sephadex A-50 and Bio-Gel P-60 Gel ion-exchange chromatography. The estimated molecular weight of the protein was 65 kDa on SDS-PAGE, it had a specific activity of 21.18 U/mg. The molecular weight of the protein was confirmed by matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS). The peptide sequence of PHY-B was identified using high resolution-mass spectrometry (LC-HR-MS), and its physicochemical parameters were studied. The PHY was stable at acidic pH 2.1, most active at 40 degrees C and was stable up to 80 degrees C, retaining 30\% residual activity after 1 h of incubation. The PHY activity was enhanced in the presence of Mg2+ and EDTA, and activity was inhibited in the presence of Hg2+ and K+. The K-m and V-max of PHY were recorded as 3.35 mM and 1.27 U/mg, respectively. The PHY was shown to play a significant role in decreasing PA content in various poultry feed ingredients, ranging from 48.14 to 82.14\%. The novel features of the enzyme can be used to decrease the PA content in feed ingredients and increase the bioavailability of nutrients to non-ruminant animals.
}, keywords = {Aspergillus niger, dephytinization, high resolution-mass spectrometry, ion-exchange chromatography, matrix-assisted laser desorption ionization time-of-flight mass spectrometry, Phytase}, issn = {0026-2617}, doi = {10.1134/S0026261722601452}, author = {Bhandari, Y. and Sonwane, B. and Vamkudoth, K. R.} } @article {48717, title = {Isolation and molecular characterization of indigenous penicillium chrysogenum/rubens strain portfolio for penicillin V production}, journal = {Microorganisms}, volume = {11}, year = {2023}, month = {APR}, pages = {1132}, type = {Article}, abstract = {
Beta (beta)-lactam antibiotic is an industrially important molecule produced by Penicillium chrysogenum/rubens. Penicillin is a building block for 6-aminopenicillanic acid (6-APA), an important active pharmaceutical intermediate (API) used for semi-synthetic antibiotics biosynthesis. In this investigation, we isolated and identified Penicillium chrysogenum, P. rubens, P. brocae, P. citrinum, Aspergillus fumigatus, A. sydowii, Talaromyces tratensis, Scopulariopsis brevicaulis, P. oxalicum, and P. dipodomyicola using the internal transcribed spacer (ITS) region and the beta-tubulin (BenA) gene for precise species identification from Indian origin. Furthermore, the BenA gene distinguished between complex species of P. chrysogenum and P. rubens to a certain extent which partially failed by the ITS region. In addition, these species were distinguished by metabolic markers profiled by liquid chromatography-high resolution mass spectrometry (LC-HRMS). Secalonic acid, Meleagrin, and Roquefortine C were absent in P. rubens. The crude extract evaluated for PenV production by antibacterial activities by well diffusion method against Staphylococcus aureus NCIM-2079. A high-performance liquid chromatography (HPLC) method was developed for simultaneous detection of 6-APA, phenoxymethyl penicillin (PenV), and phenoxyacetic acid (POA). The pivotal objective was the development of an indigenous strain portfolio for PenV production. Here, a library of 80 strains of P. chrysogenum/rubens was screened for PenV production. Results showed 28 strains capable of producing PenV in a range from 10 to 120 mg/L when 80 strains were screened for its production. In addition, fermentation parameters, precursor concentration, incubation period, inoculum size, pH, and temperature were monitored for the improved PenV production using promising P. rubens strain BIONCL P45. In conclusion, P. chrysogenum/rubens strains can be explored for the industrial-scale PenV production.
}, keywords = {beta-tubulin gene, high-performance liquid chromatography, internal transcribed spacer region, Penicillium chrysogenum/rubens, phenoxymethyl penicillin}, doi = {10.3390/microorganisms11051132}, author = {Sawant, Amol M. and Navale, Vishwambar D. and Vamkudoth, Koteswara Rao} } @article {48939, title = {Isomer effect on energy storage of π-extended S-shaped double[6]heterohelicene}, journal = { Angewandte chemie-international edition}, volume = {62}, year = {2023}, month = {NOV}, type = {Article}, abstract = {
Recently, chiral and nonplanar cutouts of graphene have been the favorites due to their unique optical, electronic, and redox properties and high solubility compared with their planar counterparts. Despite the remarkable progress in helicenes, pi-extended heterohelicenes have not been widely explored. As an anode in a lithium-ion battery, the racemic mixture of pi-extended double heterohelical nanographene containing thienothiophene core exhibited a high lithium storage capability, attaining a specific capacity of 424 mAh g-1 at 0.1 A g-1 with excellent rate capability and superior long-term cycling performance over 6000 cycles with negligible fade. As a first report, the pi-extended helicene isomer (PP and MM), with the more interlayer distance that helps faster diffusion of ions, has exhibited a high capacity of 300 mAh g-1 at 2 A g-1 with long-term cycling performance over 1500 cycles compared to the less performing MP and PM isomer and racemic mixture (150 mAh g-1 at 2 A g-1). As supported by single-crystal X-ray analysis, a unique molecular design of nanographenes with a fixed (helical) molecular geometry, avoiding restacking of the layers, renders better performance as an anode in lithium-ion batteries. Interestingly, the recycled nanographene anode material displayed comparable performance. A pi-extended double heterohelical nanographene of thienothiophene core fused with two hexabenzocoronene units exhibits excellent performance as an anode in a lithium-ion battery. The isomer (PP and MM) with more interlayer distance exhibited a high lithium storage capability compared to the other isomer and racemic mixture. Helical nanographene anodes display excellent rate capability, superior long-term cycling performance, and recyclability.image
}, keywords = {Battery, graphene, Li-ion battery, nanographene, Organic Electrode Material}, issn = {1433-7851}, doi = {10.1002/anie.202311657}, author = {Kumar, Viksit and Bharathkumar, H. J. and Dongre, Sangram D. and Gonnade, Rajesh and Krishnamoorthy, Kothandam and Babu, Sukumaran Santhosh} } @article {48285, title = {Late-stage C(sp(2))-H arylation of artemisinic acid and arteannuin B: effect of olefin migration towards synthesis of C-13 arylated artemisinin derivatives}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {APR }, type = {Article}, abstract = {
In recent years, C-H bond functionalization has emerged as a pivotal tool for late-stage functionalization of complex natural products for the synthesis of potent biologically active derivatives. Artemisinin and its C-12 functionalized semi-synthetic derivatives are well-known clinically used anti-malarial drugs due to the presence of the essential 1,2,4-trioxane pharmacophore. However, in the wake of parasite developing resistance against artemisinin-based drugs, we conceptualized the synthesis of C-13 functionalized artemisinin derivatives as new antimalarials. In this regard, we envisaged that artemisinic acid could be a suitable precursor for the synthesis of C-13 functionalized artemisinin derivatives. Herein, we report C-13 arylation of artemisinic acid, a sesquiterpene acid and our attempts towards synthesis of C-13 arylated artemisinin derivatives. However, all our efforts resulted in the formation of a novel ring-contracted rearranged product. Additionally, we have extended our developed protocol for C-13 arylation of arteannuin B, a sesquiterpene lactone epoxide considered to be the biogenetic precursor of artemisinic acid. Indeed, the synthesis of C-13 arylated arteannuin B renders our developed protocol to be effective in sesquiterpene lactone as well.
}, keywords = {Arteannuin B, Artemisinic acid, artemisinin, C-H functionalization, Pd-catalysis}, issn = {1861-4728}, doi = {10.1002/asia.202300162}, author = {Paul, Sayantan and Ghodake, Balaji M. M. and Bhattacharya, Asish K. K.} } @article {48341, title = {Lead-free solid state mechanochemical synthesis of Cs2NaBi1-XFeXCl6 double perovskite: reduces band gap and enhances optical properties}, journal = {Inorganic Chemistry}, volume = {62}, year = {2023}, month = {MAR}, pages = {4861-4871}, type = {Article}, abstract = {
Efficient and stable lead-free halide double perovskites (DPs) have attracted great attention for the future generation of electronic devices. Herein, we have developed a doping approach to incorporate Fe3+ ions into the Cs2NaBiCl6 crystal unit and reveal a crystallographic and optoelectronic study of the Cs2NaBi1-xFexCl6 double perovskite. We report a simple solid-state mechanochemical method that has a solvent-free, one-step, green chemistry approach for the synthesis of Cs2NaBi1-xFexCl6 phosphor. The analysis of powder X-ray diffraction (XRD) data determines the contraction of the lattice due to the incorporation of Fe3+ cations, and this effect is well supported by X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FE-SEM), Raman spectroscopy, and solid-state nuclear magnetic resonance spectroscopy (ss-NMR). The band gap is reduced with increasing Fe content owing to the strong overlap of the Fe-3d orbitals with Cl-3p orbitals and shift of the valence band maxima (VBM) toward higher energies, as confirmed by ultraviolet photoelectron spectroscopy (UPS) and density functional theory (DFT) analyses. Photoluminescence (PL) studies of Cs2NaBi1-xFexCl6 phosphors exhibit a large Stokes shift, broadband emission, and increased PL intensity more than ten times for 15\% of Fe content phosphor with enhancement in the average decay lifetimes (up to 38 ns) compared to pristine Cs2NaBiCl6 DP. These results indicate that the transition of dark self-trapping of excitons (STEs) into bright STEs enhances yellow emission. XRD, UV, and thermo-gravimetric analysis (TGA) confirmed that the Cs2NaB1-xFexCl6 DPs have good structural and thermal stabilities. Our findings indicate that the doping of Fe3+ cations into the Cs2NaBiCl6 lattice is a constructive strategy to enhance significantly the optoelectronic properties of these phosphors.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c04149}, author = {Udavant, Rohini and Thawarkar, Sachin and Rondiya, Sachin and Shelke, Ankita and Aher, Rahul and Ajithkumar, Thalasseril G. and Cross, Russell W. and Dzade, Nelson Y. and Jadkar, Sandesh} } @article {48959, title = {Ligand-free one-pot synthesis of Ru/W18O49 self-assembled hierarchical coral-like nanostructures for selective conversion of glucose into glycols}, journal = {ACS Applied Nano Materials }, volume = {6}, year = {2023}, month = {DEC }, pages = {22635-22642}, type = {Journal Article}, abstract = {
In this study, we report a simple inorganic route for the synthesis of Ru/W18O49 self-assembled coral-like nanostructures, with the following advantages: It is one step and requires no surfactant or stabilizing agent; Ru loading is easily tuned, and the as-synthesized nanomaterials can be used as a catalyst without any further processing. The preliminary investigations of the catalytic performance of these as-synthesized Ru/W18O49 nanomaterials appear quite promising for converting glucose to glycols. The total glycol selectivity of 82.6\% with 100\% conversion of glucose was obtained over 0.03 wt \% Ru loading on tungsten nanostructures, which turns out to be the lowest Ru loading\% on support reported to date to achieve the highest total glycol selectivity among the previously reported catalyst based on Ru-nano/composite materials. Additionally, preliminary results show that the concentration of Ru on W18O49 significantly affects the selectivity of the glycol production. Thus, our methodology will open up a wide range of opportunities regarding the choice of metals, stoichiometric/nonstoichiometric WOx (x=1-3) as support, and the viability of further catalytic manipulations. A probable catalytic mechanism for this catalytic process is also proposed.
}, keywords = {glycols, Nanostructure, One-pot synthesis, ruthenium (Ru), selective conversion of glucose, tungsten oxide (W18O49)}, doi = {10.1021/acsanm.3c04200}, author = {Patil, Manoj Krishnat and Gaikwad, Supriya Hanmant and Kirali, Arun Arunima Balachandran and Marimuthu, Banu and Mukherjee, Shatabdi Porel} } @article {48914, title = {Linear polymer comprising dual functionalities with hierarchical pores for lithium ion batteries}, journal = {Chemelectrochem}, volume = {10}, year = {2023}, month = {OCT }, type = {Article}, abstract = {
Organic materials with carbonyl, azo, nitrile and imine moieties are widely used in lithium batteries. The solubility of these materials in battery electrolytes is an issue. Aggregation of the organic molecules can suppress the solubility, but the accessibility of lithium-ion is hindered. Therefore, insoluble porous organic materials are desired. Herein, we synthesized a linear polymer with carbonyl and azo functionalities. Due to the presence of easily isomerizable azo moiety, a porous polymer was obtained. The polymer showed nano and micropores. The battery with the porous polymer showed an impressive specific capacity of 400 mA h/g at 0.2 A/g. If the battery is pre-conditioned, the specific capacity increased to 615 mA h/g at the same current density. The post-mortem analysis of the battery confirmed that the polymer didn{\textquoteright}t dissolve in the battery electrolyte. The control material is a small molecule with carbonyl and azo moieties that showed a poor specific capacity of 40 mA h/g indicating the necessity to have a hierarchically porous dual-functional polymer. Polymers for batteries: A linear polymer with micro and Nano pores with azo and carbonyl functionalities renders increased accessibility to Li ions after preconditioning. During charge-discharge experiment Azo-Carb-PDI electrode had impressive discharge capacity of 469 mA h/g after 500 cycle which is almost 15 times higher than the monomer (Azo-PDI-Azo, 30 mA h/g after 100 cycle).image
}, keywords = {azo polymer, carbonyl, Li-ion battery, porous polymer, Rylene-imide}, issn = {2196-0216}, doi = {10.1002/celc.202300389}, author = {Aher, Jagadish D. and Palani, Sathishkumar and Krishnamoorthy, Kothandam} } @article {48991, title = {Liquid-liquid equilibria of ternary mixtures containing Aniline plus Toluene plus water at elevated temperatures: measurements and correlation}, journal = {Separation Science and Technology }, volume = {58}, year = {2023}, month = {NOV }, pages = {2718-2725}, type = {Article}, abstract = {
Liquid-liquid equilibrium (LLE) data for the ternary system, Aniline + Toluene + Water, was measured at different temperatures of 298.15 K, 313.15 K and 323.15 K under atmospheric pressure with the help of High-Performance Liquid Chromatography (HPLC) analysis and Karl-Fischer technique. The efficiency of Toluene to extract Aniline from aqueous phase was then quantified in terms of the distribution coefficient and separation factor based on the tie line data. The system showed very good separation ability quantified in terms of high values of distribution factor (average around 7) and separation factors (as high as 1000). The experimental tie line data was verified by Hand and Othmer-Tobias equations. The LLE data was also correlated using NRTL and UNIQUAC models and both of them were able to represent the behavior of the system accurately when tested against experimental results. Toluene has been demonstrated to be very efficient to extract Aniline from reaction mixture, which is typically a by-product in hydrogenation of nitrobenzene, a process commercially used to produce p-Aminophenol in industry.
}, keywords = {Aniline, LLE, NRTL, Tie line, Toluene, UNIQUAC}, issn = {0149-6395}, doi = {10.1080/01496395.2023.2232104}, author = {Gaikwad, Shashank G. and Pathak, Abhishek A. and Mote, Dhananjay R. and Gogate, Parag R. and Singh, Shivani and Modhera, Bharat} } @article {48284, title = {Low-temperature preferential CO oxidation in a hydrogen-rich stream over Pt-NaY and modified Pt-NaY catalysts for fuel cell application}, journal = {Fuel Cells}, volume = {23}, year = {2023}, month = {FEB}, pages = {15-28}, type = {Article}, abstract = {
Preferential oxidation of CO (CO-PROX) in the hydrogen-rich stream has been carried out over Pt-NaY catalysts containing various Pt loadings along with Fe, Co, and Au. Catalysts have been characterized with inductively coupled plasma-atomic emission spectroscopy, Brunauer, Emmett, and Teller surface area, X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, temperature programmed reduction, and Pt dispersion. CO-PROX activities and CO oxidation selectivities are observed to increase with an increase in Pt content. Pt-NaY catalyst with 0.75 wt.\% Pt loading shows maximum CO-PROX activity at low temperatures. An increase in space velocity decreases the CO and O-2 conversions, but CO oxidation selectivity increases. A decrease in activity is observed when reformat gas contains around 20\% H2O. During the stability test, no change in CO and O-2 conversions is observed, but a small increase in the CO oxidation selectivity is noticed after 10 h indicating that the Pt-NaY catalyst is a promising candidate for CO-PROX reaction in a hydrogen-rich stream. The Pt-Fe-NaY catalyst shows better activity than the Pt-NaY catalyst but starts deactivating after 10 h. However, activity is observed to decrease over Pt-Co-NaY and Pt-Au-NaY catalysts. Pt-Fe-NaY catalyst with 0.75 and 0.35 wt.\% Pt and Fe, respectively, shows better CO-PROX activity at a temperature of 75 degrees C.
}, keywords = {catalysis, CO oxidation, experimental results, flow bed, Fuel Cell Applications, Hydrogen, X-ray photoelectron spectroscopy}, issn = {1615-6846}, doi = {10.1002/fuce.202200134}, author = {Malwadkar, Sachin and Bera, Parthasarathi and Satyanarayana, Chilukuri V. V.} } @article {48790, title = {Luminescent 3D printed poly(lactic acid) nanocomposites with enhanced mechanical properties}, journal = {Polymer Engineering and Science}, volume = {63}, year = {2023}, month = {JUL}, pages = {2059-2072}, type = {Article}, abstract = {
The three-dimensional (3D) printing of functional composite materials has gained tremendous interest in recent years. Nevertheless, research on 3D printing of luminescent composite materials is very limited, and the mechanical properties of such 3D-printed composites are poor. Herein, we report the preparation and characterization of a poly(lactic acid) (PLA) composite that, when 3D printed, exhibits enhanced toughness and high solid-state fluorescence quantum yield. Incorporation of only 1 wt\% pyrene butyric acid modified cellulose nanofibers (PBA-m-CNF) and l0 wt\% thermoplastic polyurethane (TPU) into PLA led to 223\% increase in toughness and 21\% increase in tensile modulus of PLA. Scanning electron microscopy (SEM) and X-ray microcomputed tomography (mu-CT) analysis of the fractured cross-sections of 3D printed composites revealed a ductile failure mode. The PLA/PBA-m-CNF1/TPU10 3D printed composite also exhibited a high solid-state fluorescence quantum yield of 38.35\%. To the best of our knowledge, this is the first report to show both enhanced mechanical properties and high solid-state fluorescence emission for 3D printable PLA. Such functional PLA composites could have potential applications in the fabrication of complex-shaped sensors, optical light pipes, etc.
}, keywords = {3D printing, Composite, fluorescence, Nanocellulose, poly(lactic acid), toughness}, issn = {0032-3888}, doi = {10.1002/pen.26345}, author = {Kothavade, Premkumar Anil and Yadav, Prashant and Nidhankar, Aakash D. and Torris, Arun and Pol, Harshawardhan and Kafi, Abdullah and Bateman, Stuart and Sukumaran, Santosh Babu and Shanmuganathan, Kadhiravan} } @article {48735, title = {Made to measure squaramide COF cathode for zinc dual-ion battery with enriched storage via redox electrolyte}, journal = {Advanced Energy Materials}, volume = {13}, year = {2023}, month = {SEP}, type = {Article}, abstract = {
Aqueous rechargeable batteries are promising grid-scale energy storage devices because of their affordability, operational safety, and environmental benignity. Among these, Zn-ion batteries (ZIBs) have unfolded new horizons. Designing superior cathodes for ZIBs is crucial. Covalent organic frameworks (COFs) can be made redox active with a high storage surface. Here, for the first time, a chelating COF with redox-active ZnI2 in a ZnSO4(aq) electrolyte is combined. Including iodide harvests an approximately threefold enhancement in capacity from 208 to 690 mAh g(-1) at 1.5 A g(-1), the highest among all the COF-derived ZIBs. Remarkably, a charge-discharge curve at 1.3 V exhibits very limited dropout voltage and super-flat platform, with a remarkable capacity of 600 mAh g(-1) at 5 A g(-1) stable up to 6000 cycles, confirming that the polyiodide generation and storage are sustainable. The COF{\textquoteright}s dual-ion storage (Zn2+ and polyidode) delivers a ZIB with the highest energy density. Spectro-electrochemical measurements coupled with X-ray photoelectron spectroscopy unambiguously unveil the existence of multiple polyiodide species, with I-3(-) and IO3- ions as the prominent species. The latter gets reduced at the COF electrode under an applied potential, leaving I-3(-) as the major species stored on the COF. The prospect of COF-polyiodide((aq)) is a windfall for metal-ion batteries.
}, keywords = {covalent organic frameworks, flexible batteries, polyiodide, redox electrolytes, Zn ion batteries}, issn = {1614-6832}, doi = {10.1002/aenm.202301049}, author = {Kushwaha, Rinku and Jain, Chitvan and Shekhar, Pragalbh and Rase, Deepak and Illathvalappil, Rajith and Mekan, Deep and Camellus, Augastus and Vinod, Chathakudath Prabhakaran and Vaidhyanathan, Ramanathan} } @article {48707, title = {Mapping time dependent disulfide bond formation during in-vitro refolding of recombinant peptibody: a Fc-fusion protein}, journal = {Biochemical Engineering Journal}, volume = {197}, year = {2023}, month = {AUG}, pages = {108969}, type = {Article}, abstract = {
Disulfide bonds are commonly found in covalent interactions, which play a vital role in establishing the three-dimensional structure of proteins and maintaining their biological activity. This investigation is focused on time dependant mapping of intra and inter-disulfide bonds during in-vitro refolding of recombinant peptibody using LC-ESI-MS/MS. The selected recombinant peptibody is a homodimeric, aglycosylated Fc-fusion protein expressed in E. coli. The amino acid sequence in the disulfide bond containing peptides was confirmed at MS/MS level using the CID-based fragmentation approach. During in-vitro refolding of peptibody, a peptide with inter -chain disulfide bond is observed post 4 h, with low area intensity, and it reached a maximum in 96 h. How-ever, maximum area intensity was reached for the intra-chain disulfide bond in 72 h. Since cysteine residues responsible for intra-chain disulfide bonds are present in complex part of the Fc domain, formation of intra-chain disulfide bonds may be an overall rate-limiting step in recombinant Romiplostim refolding. Proper folding and contributions by non-covalent interactions will be required to form intra-chain disulfide bond. Monitoring time -based formation of such non-covalent interactions was carried out using intrinsic fluorescence during protein refolding. Observations from intrinsic fluorescence show that 4-6 h is most crucial time for domain formation. Observations from this study will help characterize structural integrity and quality during process and product development for consistent product quality.
}, keywords = {Disulfide bond formation, In -vitro refolding, Intrinsic fluorescence, Mass spectroscopy, Peptibody, Time based mapping}, issn = {1369-703X}, doi = {10.1016/j.bej.2023.108969}, author = {Kumthekar, Rupali and Rana, Sunil and Ughade, Santosh and Bhambure, Rahul} } @article {48756, title = {Mechanistic insights into near ambient pressure activity of intermetallic NiZn/TiO2 catalyst for CO2 conversion to methanol}, journal = {ChemCatChem}, volume = {15}, year = {2023}, month = {JAN }, type = {Article}, abstract = {
Ni-Zn pair is predicted through descriptor-based studies to be conducive for CO2 hydrogenation. In this study, NiZn (1 : 1) intermetallics supported on TiO2 is identified as a potential candidate for near ambient pressure activity. The effect of reduction temperature on the catalyst textural properties as well as on CO2 to methanol reduction are explored. Structural and microscopic studies provide clear evidence of phase evolution of NiZn alloy with increasing reduction temperatures, along with phase variations of Zn based oxides. Interface between NiZn intermetallics and ZnO nanoparticles observed at reduction temperature of 550 degrees C, seems to play a crucial role in making this system most active and selective to methanol. In addition, in-situ IR studies provide mechanistic insights and indicates the formation of methanolic species even at ambient pressure.
}, keywords = {CCUS, CO2, In-situ IR, Methanol, near ambient pressure}, issn = {1867-3880}, doi = {10.1002/cctc.202201150}, author = {Dongapure, Pavan and Tekawadia, Jyoti and Thundiyil, Shibin and Caha, Ihsan and Deepak, Francis Leonard and Devi, R. Nandini} } @article {49132, title = {Mechanistic insights on anserine hydrolyzing activities of human carnosinases}, journal = {Biochemica ET Biophysica Acta- General Subjects }, volume = {1867}, year = {2023}, month = {MAR}, type = {Article}, abstract = {
Anserine and carnosine represent histidine-containing dipeptides that exert a pluripotent protective effect on human physiology. Anserine is known to protect against oxidative stress in diabetes and cardiovascular diseases. Human carnosinases (CN1 and CN2) are dipeptidases involved in the homeostasis of carnosine. In poikilothermic vertebrates, the anserinase enzyme is responsible for hydrolyzing anserine. However, there is no specific anserine hydrolyzing enzyme present in humans. In this study, we have systematically investigated the anserine hydrolyzing activity of human CN1 and CN2. A targeted multiple reaction monitoring (MRM) based approach was employed for studying the enzyme kinetics of CN1 and CN2 using carnosine and anserine as substrates. Surprisingly, both CN1 and CN2 can hydrolyze anserine effectively. The observed catalytic turnover rate (Vmax/[E]t) was 21.6 s-1 and 2.8 s-1 for CN1 and CN2, respectively. CN1 is almost eight-fold more efficient in hydrolyzing anserine compared to CN2, which is comparable to the efficiency of the carnosine hydrolyzing activity of CN2. The Michaelis constant (Km) value for CN1 (1.96 mM) is almost three-fold lower compared to CN2 (6.33 mM), representing higher substrate affinity for anserine-CN1 interactions. Molecular docking studies showed that anserine binds at the catalytic site of the carnosinases with an affinity similar to carnosine. Overall, the present study elucidated the inherent promiscuity of human carnosinases in hydrolyzing anserine using a sensitive LCMS/MS approach.
}, keywords = {Anserine, Carnosinase, Carnosine, Diabetes, LC-MS, MS, Multiple reaction monitoring (MRM), Promiscuity}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2022.130290}, author = {Pandya, Vaibhav Kumar and Shankar, S. Shiva and Rajesh, S. and Rathore, Rajeshwari and Kumaran, Sangaralingam and Kulkarni, Mahesh J.} } @article {48697, title = {Mechano-immunology in microgravity}, journal = {Life Sciences in Space Research}, volume = {37}, year = {2023}, month = {MAY}, pages = {50-64}, type = {Review}, abstract = {
Life on Earth has evolved to thrive in the Earth{\textquoteright}s natural gravitational field; however, as space technology advances, we must revisit and investigate the effects of unnatural conditions on human health, such as gravitational change. Studies have shown that microgravity has a negative impact on various systemic parts of humans, with the effects being more severe in the human immune system. Increasing costs, limited experimental time, and sample handling issues hampered our understanding of this field. To address the existing knowledge gap and provide confidence in modelling the phenomena, in this review, we highlight experimental works in mechanoimmunology under microgravity and different computational modelling approaches that can be used to address the existing problems.
}, keywords = {Computational modelling, Immune system, Mechano-immunology, Mechanotransduction, Microgravity}, issn = {2214-5524}, doi = {10.1016/j.lssr.2023.03.001}, author = {Murali, Anirudh and Sarkar, Ram Rup} } @article {48775, title = {MeGen-generation of gallium metal clusters using reinforcement learning}, journal = {Machine Learning-Science and Technology}, volume = {4}, year = {2023}, month = {JUN }, pages = {025032}, type = {Article}, abstract = {
The generation of low-energy 3D structures of metal clusters depends on the efficiency of the search algorithm and the accuracy of inter-atomic interaction description. In this work, we formulate the search algorithm as a reinforcement learning (RL) problem. Concisely, we propose a novel actor-critic architecture that generates low-lying isomers of metal clusters at a fraction of computational cost than conventional methods. Our RL-based search algorithm uses a previously developed DART model as a reward function to describe the inter-atomic interactions to validate predicted structures. Using the DART model as a reward function incentivizes the RL model to generate low-energy structures and helps generate valid structures. We demonstrate the advantages of our approach over conventional methods for scanning local minima on potential energy surface. Our approach not only generates isomer of gallium clusters at a minimal computational cost but also predicts isomer families that were not discovered through previous density-functional theory (DFT)-based approaches.
}, keywords = {gallium clusters, reinforcement learning, structure generation}, doi = {10.1088/2632-2153/acdc03}, author = {Modee, Rohit and Verma, Ashwini and Joshi, Kavita and Priyakumar, U. Deva} } @article {48733, title = {Metabolites from lactococcus lactis subsp. lactis: isolation, structure elucidation, and antimicrobial activity}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {SEP}, pages = {36628-36635}, type = {Article}, abstract = {
Herein, we disclose the identification of novel metabolites from a potential probiotic strain, Lactococcus lactis subsp. lactis, obtained from traditional dairy milk samples collected in Maharashtra, India (in January 2021). Isolated metabolites include pyrazin-2-carboxamide [1, pyrazinamide, a potential antitubercular drug], 3,5-dihydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one (2, DDMP), 2,4-di-tert-butylphenol (3), and hexadecanoic acid (4, palmitic acid). The chemical structures of these metabolites were elucidated through extensive 1D NMR (H-1 and C-13) and 2D NMR (HSQC, HMBC, and NOESY) analyses, high-resolution mass spectrometry, high-performance liquid chromatography, and single-crystal X-ray crystallography. Furthermore, these novel metabolites exhibited potent inhibitory activities against various bacteria, fungi, and yeast strains with minimum inhibitory concentrations ranging between 1.56 and 25 mu g/mL, and compounds 1 and 3 were found to be most active against a wide range of microbial strains tested.
}, issn = {2470-1343}, doi = {10.1021/acsomega.3c01662}, author = {Navale, Vishwambar D. and Borade, Balasaheb R. and Rama Krishna, Gamidi and Vamkudoth, Koteswara Rao and Kontham, Ravindar} } @article {48698, title = {Metal- and photocatalyst-free, visible-light-initiated C3 a-aminomethylation of quinoxalin-2(1H)-ones via electron donor-acceptor complexes}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {AUG }, pages = {13339-13350}, type = {Article}, abstract = {
We report a metal- and photocatalyst-free C3 a-aminomethylation of quinoxalin-2(1H)-ones with N-alkyl-N-methylanilines. The reaction proceeds through the formation of a photoactivated electron donor-acceptor complex between quinoxalin-2(1H)-ones and N-alkyl-N-methylanilines. The present method provides a mild and environmentally friendly protocol that exhibits good atom economy and excellent functional group tolerance to obtain a library of biologically significant C3 a-aminomethylated quinoxalin-2(1H)-ones in good yields.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c01249}, author = {More, Devidas A. and Shirsath, Sachin R. and Muthukrishnan, M.} } @article {48820, title = {Metal deficiency tailored by the 18-electron rule stabilizes metal-based inorganic compounds}, journal = {Chemistry of Materials}, volume = {35}, year = {2023}, month = {JUL}, pages = {6050-6058}, type = {Article}, abstract = {
The 18-electron (18-e(-)) rule is typicallyrestrictedto predicting the stability of transition-metal-based complexes. Herein,we report the use of the 18-e(-) to predict the stabilityin a family of intermetallics MNiSn (M = V, Cr, Fe, and Co) crystallizingin the Co1.75Ge structure type. Site deficiencies at theM site obtained from single-crystal X-ray diffraction are understoodas attaining a stable noble gas electronic configuration. The densityfunctional theory -based structure calculation confirms that the deficientstructure is more stable than the ideal occupation available at thecrystal lattice. MnNiSn, which crystallizes in the half-Heusler crystalstructure, depicts the role of covalent radii of the constituent elementsin determining the crystal structure. Using X-ray absorption spectroscopyand X-ray photoelectron spectroscopy, the local structure of the above-mentionedcompounds was also elucidated, supporting the role of deficiency tunedvalence fluctuation to attain a 18-e(-) configurationthat eventually leads to the formation of stable compounds.
}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.3c01142}, author = {Singh, Ashutosh Kumar and Mumbaraddi, Dundappa and Mishra, Vidyanshu and Roy, Soumyabrata and Vinod, C. P. and Peter, Sebastian C.} } @article {48708, title = {Metal-catalyzed plastic depolymerization}, journal = {Cell Reports Physical Science}, volume = {4}, year = {2023}, month = {MAY}, pages = {101341}, type = {Review}, abstract = {
Polymers have become an indispensable part of our daily lives, and today we produce around 370 MT of plastic per year. Only about 20\% of it is being recycled, and the rest, 80\%, is unleashed into the environment without appropriate treatment. This calls forth the evaluation of strategies available for mitigating the menace of {\textquoteleft}{\textquoteleft}after-use{\textquoteright}{\textquoteright}plastic waste. Various approaches have evolved over a decade and are at different levels of development. Plastic depolymerization and upcycling are considered some of the most prominent and long-term solutions. The metal-catalyzed depolymerization of plastic waste to chemical feedstocks has emerged as one of the promising ways to address global plastic pollution. Therefore, this review aims to examine the available metal-catalyzed depolymerization methods, notify recent progress, pinpoint current gaps, and gauge the potential of this strategy. Both homogeneous and heterogeneous catalysts have been reported to depolymerize various polymers over the last decade. Considerable advances have been reported in the metal-mediated depolymerization of polyolefins, polyesters, polycarbonates, polyurethanes, polyamides, and polyethers. The depolymerization of the above polymers produces the monomers or intermediates, which can be used again for polymerization and thus brings the waste polymers back into circularity. The overview debates the usage of high temperaagents, etc., in metal-catalyzed depolymerization. Thus, this review summarizes the current understanding of the fundamental science of metal-catalyzed plastic depolymerization, the remaining scientific challenges, and the potential opportunities.
}, doi = {10.1016/j.xcrp.2023.101341}, author = {Khopade, Kishor V. and Chikkali, Samir H. and Barsu, Nagaraju} } @article {48770, title = {Metal-free isoamyl nitrite mediated efficient synthesis of 1,2,4-oxadiazoles}, journal = {Tetrahedron Letters}, volume = {125}, year = {2023}, month = {JUL}, pages = {154616}, type = {Article}, abstract = {
We report herein, a metal-free isoamyl nitrite mediated efficient synthesis of 1,2,4-oxadiazoles by one pot cycloaddition reaction of aldoximes with nitriles. The structure of the 1,2,4-oxadiazole derivatives was confirmed by studies of spectral analysis. Current methodology provides a novel pathway to access 1,2,4-oxadiazole derivatives.\& COPY; 2023 Elsevier Ltd. All rights reserved.
}, keywords = {1, 2, 4-Oxadiazole, Aldoxime, Cycloaddition, Isoamyl nitrite}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2023.154616}, author = {Galave, Sharad A. and Kadam, Kishorkumar S. and Sonawane, Amol D. and Pansare, Vaibhav R. and Garud, Dinesh R.} } @article {49007, title = {Metal-organic framework-derived mesoporous B-doped CoO/Co@N-doped carbon hybrid 3D heterostructured interfaces with modulated cobalt oxidation states for alkaline water splitting}, journal = {Small}, volume = {19}, year = {2023}, month = {AUG}, type = {Article}, abstract = {
Heteroatom-doped transition metal-oxides of high oxygen evolution reaction (OER) activities interfaced with metals of low hydrogen adsorption energy barrier for efficient hydrogen evolution reaction (HER) when uniformly embedded in a conductive nitrogen-doped carbon (NC) matrix, can mitigate the low-conductivity and high-agglomeration of metal-nanoparticles in carbon matrix and enhances their bifunctional activities. Thus, a 3D mesoporous heterostructure of boron (B)-doped cobalt-oxide/cobalt-metal nanohybrids embedded in NC and grown on a Ni foam substrate (B-CoO/Co@NC/NF) is developed as a binder-free bifunctional electrocatalyst for alkaline water-splitting via a post-synthetic modification of the metal-organic framework and subsequent annealing in different Ar/H-2 gas ratios. B-CoO/Co@NC/NF prepared using 10\% H-2 gas (B-CoO/Co@NC/NF [10\% H-2]) shows the lowest HER overpotential (196 mV) and B-CoO/Co@NC/NF (Ar), developed in Ar, shows an OER overpotential of 307 mV at 10 mA cm(-2) with excellent long-term durability for 100 h. The best anode and cathode electrocatalyst-based electrolyzer (B-CoO/Co@NC/NF (Ar)(+)//B-CoO/Co@NC/NF (10\% H-2)(-)) generates a current density of 10 mA cm(-2) with only 1.62 V with long-term stability. Further, density functional theory investigations demonstrate the effect of B-doping on electronic structure and reaction mechanism of the electrocatalysts for optimal interaction with reaction intermediates for efficient alkaline water-splitting which corroborates the experimental results.
}, keywords = {3D heterostructures, B-doped metal-oxides, electrocatalysts, hydrogen evolution reactions, metal-organic frameworks, oxygen evolution reactions}, issn = {1613-6810}, doi = {10.1002/smll.202301405}, author = {Cha, Dun Chan and Singh, Thangjam Ibomcha and Maibam, Ashakiran and Kim, Tae Hyeong and Nam, Dong Hwan and BabaRao, Ravichandar and Lee, Seunghyun} } @article {48468, title = {Microglia degrade Tau oligomers deposit via purinergic P2Y12-associated podosome and filopodia formation and induce chemotaxis}, journal = {Cell and Bioscience}, volume = {13}, year = {2023}, month = {MAY}, pages = {95}, type = {Article}, abstract = {
BackgroundTau protein forms neurofibrillary tangles and becomes deposited in the brain during Alzheimer{\textquoteright}s disease (AD). Tau oligomers are the most reactive species, mediating neurotoxic and inflammatory activity. Microglia are the immune cells in the central nervous system, sense the extracellular Tau via various cell surface receptors. Purinergic P2Y12 receptor can directly interact with Tau oligomers and mediates microglial chemotaxis via actin remodeling. The disease-associated microglia are associated with impaired migration and express a reduced level of P2Y12, but elevate the level of reactive oxygen species and pro-inflammatory cytokines.ResultsHere, we studied the formation and organization of various actin microstructures such as-podosome, filopodia and uropod in colocalization with actin nucleator protein Arp2 and scaffold protein TKS5 in Tau-induced microglia by fluorescence microscopy. Further, the relevance of P2Y12 signaling either by activation or blockage was studied in terms of actin structure formations and Tau deposits degradation by N9 microglia. Extracellular Tau oligomers facilitate the microglial migration via Arp2-associated podosome and filopodia formation through the involvement of P2Y12 signaling. Similarly, Tau oligomers induce the TKS5-associated podosome clustering in microglial lamella in a time-dependent manner. Moreover, the P2Y12 was evidenced to localize with F-actin-rich podosome and filopodia during Tau-deposit degradation. The blockage of P2Y12 signaling resulted in decreased microglial migration and Tau-deposit degradation.ConclusionsThe P2Y12 signaling mediate the formation of migratory actin structures like- podosome and filopodia to exhibit chemotaxis and degrade Tau deposit. These beneficial roles of P2Y12 in microglial chemotaxis, actin network remodeling and Tau clearance can be intervened as a therapeutic target in AD.
}, keywords = {Filopodia, microglia, migration, Podosome, Tau Oligomers}, doi = {10.1186/s13578-023-01028-0}, author = {Chinnathambi, Subashchandrabose and Das, Rashmi} } @article {48493, title = {Microporous 3D-structured hierarchically entangled graphene-supported Pt3Co alloy catalyst for PEMFC application with process-friendly features}, journal = {ACS Applied Materials \& Interfaces}, volume = {15}, year = {2023}, month = {JUN }, pages = {28023-28035}, type = {Article}, abstract = {
To improve the oxygen reduction reaction(ORR) performance in aproton-exchange membrane fuel cell (PEMFC) cathode with respect tomass activity and durability, a suitable electrocatalyst design strategyis essentially needed. Here, we have prepared a sub-three nm-sizedplatinum (Pt)-cobalt (Co) alloy (Pt3Co)-supportedN-doped microporous 3D graphene (Pt3Co/pNEGF) by usingthe polyol synthesis method. A microwave-assisted synthesis methodwas employed to prepare the catalyst based on the 3D porous carbonsupport with a large pore volume and dense micro-/mesoporous surfaces.The ORR performance of Pt3Co/pNEGF closely matches withthe state-of-the-art commercial Pt/C catalyst in0.1 M HClO4, with a small overpotential of 10 mV. The 3Dmicroporous structure of the N-doped graphene significantly improvesthe mass transport of the reactant and thus the overall ORR performance.As a result of the lower loading of Pt in Pt3Co/pNEGF ascompared to that in Pt/C, the alloy catalyst achieved 1.5 times highermass activity than Pt/C. After 10,000 cycles, the difference in theelectrochemically active surface area (ECSA) and half-wave potential(E (1/2)) of Pt3Co/pNEGF is foundto be 5 m(2) g(Pt) (-1) (Delta ECSA)and 24 mV (Delta E (1/2)), whereas, forPt/C, these values are 9 m(2) g(Pt) (-1) and 32 mV, respectively. Finally, in a realistic perspective, single-celltesting of a membrane electrode assembly (MEA) was made by sandwichingthe Pt3Co/pNEGF-coated gas diffusion layers as the cathodedisplayed a maximum power density of 800 mW cm(-2) under H-2-O-2 feed conditions with aclear indication of helping the system in the mass-transfer region(i.e., the high current dragging condition). The nature of the I-V polarization shows a progressivelylower slope in this region of the polarization plot compared to asimilar system made from its Pt/C counterpart and a significantlyimproved performance throughout the polarization region in the caseof the system made from the Pt3Co/NEGF catalyst (withoutthe microwave treatment) counterpart. These results validate the betterprocess friendliness of Pt3Co/pNEGF as a PEMFC electrode-specificcatalyst owing to its unique texture with 3D architecture and well-definedporosity with better structural endurance.
}, keywords = {microwave synthesis, N-doped porous 3D graphene, ORR, PEMFC, polyol synthesis, Pt3Co alloy}, issn = {1944-8244}, doi = {10.1021/acsami.3c03372}, author = {Manna, Narugopal and Singh, Mayank and Kurungot, Sreekumar} } @article {48803, title = {Mitigating dendrite formation on a Zn electrode in aqueous zinc chloride by the competitive surface chemistry of an imidazole additive}, journal = {ACS Applied Materials and Interfaces}, volume = {15}, year = {2023}, month = {MAY}, pages = {23093-23103}, type = {Article}, abstract = {
Electrochemical energy storage systems are critical in several ways for a smooth transition from nonrenewable to renewable energy sources. Zn-based batteries are one of the promising alternatives to the existing state-of-the-art Li-ion battery technology, since Li-ion batteries pose significant drawbacks in terms of safety and cost-effectiveness. Zn (with a reduction potential of -0.76 V vs SHE) has a significantly higher theoretical volumetric capacity (5851 mAh/cm3) than Li (2061 mAh/cm3), and it is certainly far less expensive, safer, and more earth-abundant. The formation of dendrites, hydrogen evolution, and the formation of a ZnO passivation layer on the Zn anode are the primary challenges in the development and deployment of rechargeable zinc batteries. In this work, we examine the role of imidazole as an electrolyte additive in 2 M ZnCl2 to prevent dendrite formation during zinc electrodeposition via experimental (kinetics and imaging) and theoretical density functional theory (DFT) studies. To characterize the efficacy and to identify the appropriate concentration of imidazole, linear sweep voltammetry (LSV) and chronoamperometry (CA) are performed with in situ monitoring of the electrodeposited zinc. The addition of 0.025 wt \% imidazole to 2 M ZnCl2 increases the cycle life of Zn-symmetric cells cycled at 1 mA/cm2 for 60 min of plating and stripping dramatically from 90 to 240 h. A higher value of the nucleation overpotential is noted in the presence of imidazole, which suggests that imidazole is adsorbed at a competitively faster rate on the surface of zinc, thereby suppressing the zinc electrodeposition kinetics and the formation. X-ray tomography reveals that a short circuit caused by dendrite formation is the main plausible failure mechanism of Zn symmetric cells. It is observed that the electrodeposition of zinc is more homogeneous in the presence of imidazole, and its presence in the electrolyte also inhibits the production of a passivating coating (ZnO) on the Zn surface, thereby preventing corrosion. DFT calculations conform well with the stated experimental observations.
}, keywords = {dendrite, Density functional theory, exchange current density, Imidazole, X-ray computed tomography, zinc metal electrodeposition}, issn = {1944-8244}, doi = {10.1021/acsami.3c01310}, author = {Rana, Ashutosh and Thakare, Anup and Kumar, Nikhil and Mukherjee, Buddhadev and Torris, Arun and Das, Bidisa and Ogale, Satishchandra and Banerjee, Abhik} } @article {48765, title = {MnXWO4 nanostructure-based catalysts for single-step oxidation of cyclohexane and methane to oxygenates}, journal = {ACS Applied Nano Materials}, volume = {6}, year = {2023}, month = {APR}, pages = {7245-7258}, type = {Article}, abstract = {
Activation of the C-H bond in cyclohexane (CYH) and methane is a crucial step to obtain desirable oxygenated products using nanostructured catalyst and is a great challenge and an efficient route to mitigate the inauspicious effects of climate change. The active sites were identified using XRD, HR-TEM, SEM, N2 sorption analysis, TPR, Raman, XPS, TGA, in situ DRIFT, XAS, etc. In optimal reaction conditions, 46\% of CYH was converted into adipic acid (AA) on MnxWO4 nanostructures within 6 h. The recyclability test confirmed the catalyst heterogeneity, which revealed no appreciable loss of catalytic activity even after three consecutive reactions. In situ DRIFT study reveals that CYH is oxidized to cyclohexanone and cyclohexanol (KA oil) and is further oxidized to AA via carboxylate intermediates. DFT studies disclosed that MnOx species are responsible for the C-H activation of CYH, and the Mn2+/Mn3+ redox centers play a vital role in the absorption of KA oil to form AA. Herein, we demonstrated the significant role of the {\textquoteleft}{\textquoteleft}MnOx{\textquoteright}{\textquoteright} species and that adequate Lewis and Bronsted acidic sites, redox centers of (Mn2+/Mn3+), and lattice oxygen are accountable for the CYH conversion toward the AA. Additionally, we have reported the oxidation of methane to methanol (146 mu mole per gram of catalyst) in the presence of water at 75 degrees C without over-oxidation products.
}, keywords = {Adipic Acid, C-H bond activation, Cyclohexane oxidation, methane activation, MnOx chain, Redox center}, doi = {10.1021/acsanm.3c00319}, author = {Prabu, Marimuthu and Manikandan, Marimuthu and Samal, Pragnya Paramita and Gurrala, Lakshmi Prasad and Mekala, Siva Prasad and Archana, Ramakrishnan and Nayak, Chandrani and Bhattacharyya, D. and Jha, S. N. and Krishnamurty, Sailaja and Raja, Thirumalaiswamy} } @article {49137, title = {Modular TiO2-squaraine dyes/electrolyte interface for dye-sensitized solar cells with cobalt electrolyte}, journal = {Chemphotochem}, volume = {7}, year = {2023}, month = {APR}, type = {Article}, abstract = {
Strategies to diminish both charge recombination and aggregation of dyes on the photoanode by functionalizing the sensitizer with alkyl groups is the best approach to achieve high dyesensitized solar cell (DSSC) efficiency. Development of such a photoanode with NIR-active dyes which is compatible with a cobalt electrolyte is important to enhance the photovoltaic performance. In this report, alkyl-group-wrapped donor-acceptor-donor (D-A-D) based unsymmetrical squaraine dyes have been used for DSSC device characterization with a cobalt electrolyte. Surface passivation of photoanode was varied systematically by the extent of functionalization with alkyl groups to avoid charge recombination. DSSC device performance of 5.92\% was achieved for an alkyl-group-wrapped squaraine dye with a cobalt electrolyte. Hence, appending the alkyl groups on the donor unit of squaraine dyes helps passivating the photoanode, whereas introducing hydrophilic groups provides a leaky surface where oxidized electrolyte species reach the titanium-metal-oxide surface which promotes the charge recombination process.
}, keywords = {counter-electrode, DSSC device efficiency, Dye-sensitized solar cells, Electrolytes, unsymmetrical squaraine dye}, issn = {2367-0932}, doi = {10.1002/cptc.202200171}, author = {Singh, Ambarish Kumar and Sudhakar, Vediappan and Javaregowda, Bharathkumar H. and Bisht, Rajesh and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {48711, title = {Molecular mechanism of PSMa3 aggregation: a new view}, journal = {Journal of Physical Chemistry B}, volume = {127}, year = {2023}, month = {SEP}, pages = {8317-8330}, type = {Article}, abstract = {
The emergence of a novel cross-alpha fibrillar structure, unlike the commonly observed sequence-independent cross-beta one, of a 22-residue bacterial virulent amphipathic alpha-helical peptide of the phenol soluble modulin (PSM) family, PSM alpha 3, with many deleterious effects on human life, has infused uncertainty to the paradigm of the intrinsically polymorphic, multivariate, multiphasic, and cross-sequence-cross-disease entangled protein aggregation landscape and hence on the identity of the therapeutic target. We, here, deconvolute the factors contributing to the genesis and hence the transition of lower to higher order aggregates of PSM alpha 3 in its natural state and three noncanonical designed variants using conventional and enhanced sampling approach-based atomistic simulations. PSM alpha 3 shows structural polymorphism with nominal alpha-helicity, substantial beta-propensity, and dominant random-coil features, irrespective of the extent of aggregation. Moreover, the individual features of the overall amphipathicity operate alternatively depending on the extent and organization of aggregation; the dominance gradually moves from charged to hydrophobic residues with the progressive generation of higher order aggregates (dimer to oligomer to fibril) and with increasing orderedness of the self-assembled construct (oligomer vs dimer/fibril). Similarly, the contribution of interchain salt bridges decreases with increasing order of aggregation (dimer to oligomer to fibril). However, the intrachain salt bridges consistently display their role in all phases of aggregation. Such phase-independent features also include equivalent roles of electrostatic and van der Waals forces on intrachain interactions, sole contribution of van der Waals forces on interchain cross-talk, and negligible peptide-water relationship. Finally, we propose a conjugate peptide-based aggregation suppressor having a single-point proline mutation.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.3c03806}, author = {Tammara, Vaishnavi and Das, Atanu} } @article {48719, title = {Molecular mechanisms underlying nanowire formation in pristine phthalocyanine}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {NOV}, pages = {30259-30268}, type = {Article}, abstract = {
Understanding the molecular processes of nanowire self-assembly is crucial for designing and controlling nanoscale structures that could lead to breakthroughs in functional materials. In this work, we focus on pristine phthalocyanines as a representative example of mesogenic supramolecular assemblies and have analyzed the formation of nanowires using classical molecular dynamics simulations. In the simulations, the molecules spontaneously form multi-columnar structures resembling supramolecular polymers that subsequently grow into more ordered aggregates. These self-assemblies are concentration dependent, leading to the formation of multi-columnar, dynamic aggregates at higher concentrations and nanowires at lower concentrations. The multi-columnar assemblies on a whole are more disordered than the nanowires, but have locally ordered domains of parallel facing molecules that can fluctuate while maintaining their overall shape. The nanowire formation at lower concentrations involves the initial interaction and clustering of randomly oriented phthalocyanine molecules, followed by the merging of small clusters into elongated segments and the eventual formation of a stable nanowire. We observe three main conformers in these self-assemblies, the parallel, T-shaped and edge-to-edge stacking of the phthalocyanine dimers. We calculate the underlying free energy landscape and show that the parallel conformers form the most stable configuration which is followed by the T-shaped and edge-to-edge dimer configurations. The findings provide insights into the mechanisms and pathways of nanowire formation and a step towards the understanding of self-assembly processes in supramolecular mesogens. Understanding the molecular processes of nanowire self-assembly of phthalocyanine molecules.
}, issn = {1463-9076}, doi = {10.1039/d3cp03512c}, author = {Pinjari, Aadil and Saraf, Deepashri and Sengupta, Durba} } @article {48778, title = {Morphology-dependent catalysis by Co3O4 nanostructures in atmospheric pressure carbon dioxide hydrogenation}, journal = {Journal of Physical Chemistry C}, volume = {127}, year = {2023}, month = {JUL}, pages = {13055-13064}, type = {Article}, abstract = {
In this work, three Co3O4 nanostructureswith different morphologies (cubes, rods, and sheets) were synthesizedusing a hydrothermal method and tested for the CO2 hydrogenationreaction. The physicochemical properties of the structured Co3O4 were well characterized by X-ray diffraction(XRD), Raman spectroscopy, field-emission scanning electron microscopy(FESEM), transmission electron microscopy (TEM), high-resolution transmissionelectron microscopy (HRTEM), hydrogen temperature-programmed reduction(H-2-TPR), and X-ray photoelectron spectroscopy (XPS) techniques.Based on the characterization, cube, rod, and sheet Co3O4 nanostructures were found to expose the (100), (110),and (112) planes, respectively. The effect of cobalt oxide morphologieswith different exposed surfaces on the activity and selectivity towardCO(2) hydrogenation reaction in a plug-flow reactor operatedbetween 200 and 400 \& DEG;C under atmospheric pressure conditionswas explored. The results establish a correlation of the catalyticactivity with morphological structures in the order rods \> sheets\> cubes. H-2-TPR and XPS studies demonstrated that thehighreducibility of Co3O4 rod makes it an excellentcatalyst for CO2 hydrogenation.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.3c02857}, author = {Gupta, Sharad and Jain, Preeti and Jagadeesan, Dinesh and Vinod, C. P.} } @article {48701, title = {Multi-bandgap quantum dots ensemble for near-infrared photovoltaics}, journal = {Energy Technology}, volume = {11}, year = {2023}, month = {JUN}, type = {Article}, abstract = {
Narrow bandgap quantum dots (QDs) are an important class of materials for near-infrared (NIR) optoelectronic devices owing to their size-tunable bandgap and chemical root processing. In photovoltaic applications, NIR QDs could be particularly useful to complement the sub-bandgap transmission loss of NIR solar radiation from perovskite and c-Si solar cells. However, insufficient carrier extraction thickness associated with the narrow NIR excitonic bandwidth of QDs limits the conversion efficacy of the broad NIR solar spectrum. Here, we utilize a multi-bandgap QD ensemble which widens the NIR absorption bandwidth to mimic the broad solar spectrum. A solution-phase ligand passivation strategy is used to control doping properties and energy level alignment of multi-bandgap QDs. We successfully developed bulk-heterojunction solar cells using the multi-bandgap QD ensemble, which yields higher carrier extraction thickness and broader NIR absorption. The gain from NIR absorption and carrier transport resulted in higher short-circuit current generation and power conversion efficiency (PCE) in solar cell devices. The champion device shows 8.73\% PCE under 1.5 AM solar illumination and 7.44\% and 5.05\% PCE for the NIR photons transmitted from perovskite and c-Si layers.
}, keywords = {bulk-heterojunctions, multi-bandgap, near-infrared, quantum dots, solar cells, surface passivation}, issn = {2194-4288}, doi = {10.1002/ente.202201375}, author = {Mahajan, Chandan and Dambhare, Neha V. and Biswas, Arindam and Sharma, Anjali and Shinde, Dipak Dattatray and Rath, Arup K.} } @article {48921, title = {Multicomponent solvate crystals of 3,5-dinitrobenzoic acid and acetamide and CSD analysis of solvates}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {JUN }, pages = {24644-24653}, type = {Article}, abstract = {
Twelve multicomponent solvate crystals (cocrystal solvates) of 3,5-dinitrobenzoic acid and acetamide were synthesized via slow evaporation method. All crystalline materials were characterized by single-crystal X-ray diffraction. All cocrystal solvates are isostructural, and crystal packing forms continuous channels where some solvent molecules are connected via weak intermolecular interactions with 3,5dinitrobenzoic acid and acetamide. All multicomponent solvate crystals encompass amide-amide dimer homo synthons and form R22 (8) motifs. Moreover, the phase purity of solvate crystals was analyzed by powder Xray diffraction. Further, most of the cocrystal solvates were analyzed by nuclear magnetic resonance and differential scanning calorimetry. Cambridge structural database analysis categorizes solvate propensity in single-crystal structures. The importance of hydrogen bond donor/ acceptor nature, size, and shape of solvents is also discussed in the context of crystallization and crystal packing.
}, keywords = {Co-Crystals, Design, Host Guest Complex, solvent}, issn = {2470-1343}, doi = {10.1021/acsomega.3c03091}, author = {Shaikh, Tabrez Rafique and Shelke, Nikita and Tothadi, Srinu} } @article {48732, title = {Multipurpose cellulases of Promicromonospora sp. VP111, with broad substrate specificity and tolerance properties}, journal = {Journal of Basic Microbiology}, volume = {63}, year = {2023}, month = {JUL}, pages = {790-800}, type = {Article}, abstract = {
Cellulolytic actinobacterium, Promicromonospora sp. VP111 concomitantly produced cellulases (CELs), xylanase and pectinase when grown on commercial cellulose and untreated agricultural lignocellulosic residues (wheat straw and sugarcane bagasse). Secreted CELs hydrolyzed (enhanced with Co2+ ion) multiple cellulosic substrates, including sodium carboxymethyl cellulose (Na-CMC), Whatman filter paper no. 1, microcrystalline cellulose (avicel), p-nitrophenyl-beta-D-glucopyranoside (pNPG), laminarin, and cellulose powder. The CELs showed stabilities in the presence of various chemicals, including glucose (0.2 M), detergents (1\%, w/v or v/v), denaturants (1\%, w/v or v/v), and sodium chloride (NaCl, 30\%, w/v). The CELs were fractionated using ammonium sulfate precipitation and dialysis. Activities (\%) of fractionated CELs were retained at 60 degrees C for endoglucanase/carboxymethyl cellulase (CMCase) (88.38), filter paper cellulase (FPase) (77.55), and beta-glucosidase (90.52), which indicated of thermo-stability. Similarly, the activities (\%) for CMCase (85.79), FPase (82.48), and beta-glucosidase (85.92) at pH 8.5 indicated of alkaline-stability. Kinetic factors, K-m and V-max for endoglucanase component of fractionated CELs were 0.014 g/l and 158.23 mu M glucose/min/mL, respectively. Fractionated CELs yielded activation energies (kJ/mol) of 17.933, 6.294, and 4.207 for CMCase, FPase, and beta-glucosidase activities, respectively in linear thermostable Arrhenius plots. Thus, this study reports on the multipurpose CELs from an untreated agricultural residue utilizing Promicromonospora in relation to broad substrate specificity, halo-tolerance, alkaline-tolerance, detergent-tolerance, thermo-tolerance, organic solvent-tolerance, and end product-tolerance.
}, keywords = {cellulases, cellulose, Endoglucanase, Lignocellulose, Promicromonospora sp, VP111}, issn = {0233-111X}, doi = {10.1002/jobm.202200679}, author = {Thomas, Lebin and Ram, Hari and Singh, Ved P.} } @article {49134, title = {Multistep molecular mechanism of amyloid-like aggregation of nucleic acid-binding domain of TDP-43}, journal = {Proteins- Structure Function and Bioinformatics}, volume = {91}, year = {2023}, month = {MAY}, pages = {649-664}, type = {Article}, abstract = {
TDP-43 protein is associated with many neurodegenerative diseases and has been shown to adopt various oligomeric and fibrillar states. However, a detailed kinetic understanding of the structural transformation of the native form of the protein to the fibrillar state is missing. In this study, we delineate the temporal sequence of structural events during the amyloid-like assembly of the functional nucleic acid-binding domain of TDP-43. We kinetically mapped the aggregation process using multiple probes such as tryptophan and thioflavin T (ThT) fluorescence, circular dichroism (CD), and dynamic light scattering (DLS) targeting different structural events. Our data reveal that aggregation occurs in four distinct steps-very fast, fast, slow, and very slow. The {\textquoteleft}{\textquoteleft}very fast{\textquoteright}{\textquoteright} change results in partially unfolded forms that undergo conformational conversion, oligomerization and bind to ThT in the {\textquoteleft}{\textquoteleft}fast step{\textquoteright}{\textquoteright} to form higher order intermediates (HOI). The temporal sequence of the formation of ThT binding sites and conformational conversion depends upon the protein concentration. The HOI further undergoes structural rearrangement to form protofibrils in the {\textquoteleft}{\textquoteleft}slow{\textquoteright}{\textquoteright} step, which, consequently, assembles in the {\textquoteleft}{\textquoteleft}very slow{\textquoteright}{\textquoteright} step to form an amyloid-like assembly. The spectroscopic properties of the amyloid-like assembly across the protein concentration remain similar. Additionally, we observe no lag phase across protein concentration for all the probes studied, suggesting that the aggregation process follows a linear polymerization reaction. Overall, our study demonstrates that the amyloid-like assembly forms in multiple steps, which is also supported by the temperature dependence of the kinetics.
}, keywords = {aggregation pathway, amyloid-like assembly, conformational conversion, kinetics, oligomers}, issn = {0887-3585}, doi = {10.1002/prot.26455}, author = {Pillai, Meenakshi and Jha, Santosh Kumar} } @article {48767, title = {MXene surface terminations: a perspective}, journal = {Journal of Physical Chemistry C}, volume = {127}, year = {2023}, month = {OCT }, pages = {20197-20206}, type = {Article}, abstract = {
Two-dimensional (2D) transition metal carbides and nitrides are among the newest, and probably largest, families of 2D materials that have been discovered. They have shown promise in many applications, such as electromagnetic shielding, energy storage devices like batteries and supercapacitors, transparent conductive electrodes, as catalysts for hydrogen production, and several others. Their general formula is Mn+1XnTz (n = 1-4) or M1.33XTz, where M is an early transition metal, X is carbon and/or nitrogen, and T-z represents various terminations present upon etching the Al layer. The first MXene discovered, Ti3C2Tz, was synthesized by etching aluminum (Al) from the nanolaminated MAX phase Ti3AlC2 using hydrofluoric acid (HF). Since the discovery of Ti3C2Tz in 2011, more than 30 other MXene chemistries have been reported with different M and X elements. It has been observed that, as expected, changing the MXene chemistry also influences the properties in the range of applications listed above, allowing us to tailor them according to what suits the application of interest the best. Unlike the success in tailoring the M and X elements over the years, attempts to engineer T-z was, until recently, a challenge. A series of recent discoveries and an improved understanding of MXene surface properties has now rendered the customization of T-z possible. This progress added a new {\textquoteleft}{\textquoteleft}knob{\textquoteright}{\textquoteright} that can be turned to further tune MXene properties. The majority of this Perspective is focused on surface terminations: their engineering, characterization, and effect on MXene properties.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.3c04324}, author = {Natu, Varun and Barsoum, Michel W.} } @article {48781, title = {Nanopore sequencing of RAGE gene polymorphisms and their association with type 2 diabetes}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {JUL}, pages = {25727-25738}, type = {Article}, abstract = {
The receptor foradvanced glycation end products (RAGE)is a transmembraneprotein that interacts with its ligands, advanced glycation end products(AGEs). AGEs are elevated in diabetes and diabetic complications,leading to increased oxidative stress and activation of pro-inflammatorypathways facilitated by AGE-RAGE signaling. Polymorphisms inthe RAGE gene can potentially affect AGE-RAGEinteraction and its downstream signaling, which plays a crucial rolein the progression of diabetes and its complications. In this study,we used nanopore sequencing for genotyping of RAGE polymorphism and identified a maximum number of 33 polymorphisms,including two previously unreported novel mutations in a cohort ofhealthy, type 2 diabetics without nephropathy and type 2 diabeticswith nephropathy in order to identify associations. Two novel RAGE polymorphisms in the intron 8 and 3 \& PRIME;UTR regionat genomic locations 32181834 and 32181132, respectively, were detectedwith a low frequency. For four previously reported polymorphisms,cross-validation by PCR-RFLP showed 99.75\% concordance with nanoporesequencing. Analysis of genotype distribution and allele frequenciesrevealed that five single nucleotide polymorphisms, i.e., rs1800625,rs3131300, rs3134940, rs2070600, and rs9391855, were associated withan increased risk for type 2 diabetes.
}, issn = {2470-1343}, doi = {10.1021/acsomega.3c00297}, author = {Chaurasiya, Arvindkumar H. and Khilari, Ajinkya A. and Kazi, Rubina and Jaiswal, Meera R. and Bhoite, Gouri M. and Padwal, Meghana K. and Momin, Abdulrahaman A. and Shanmugam, Dhanasekaran and Kulkarni, Mahesh J.} } @article {48834, title = {Nanosilica from Averrhoa bilimbi juice pre-treated rice husk: preparation and characterization}, journal = {Journal of Cleaner Production}, volume = {413}, year = {2023}, month = {AUG }, pages = {137476}, type = {Article}, abstract = {
The preparation of nanosilica from rice husk without using any concentrated mineral acids is a novel concept. This work proposes a bioleaching strategy to remove metallic impurities from rice husk for the preparation of nanosilica. Herein, nanosilica (BJRHS) was prepared by calcinating Averrhoa bilimbi juice pre-treated rice husks in a muffle furnace. The chemical and atomic structures of commercial precipitated silica (CS), rice husk ash (RHA), and BJRHS were analyzed using different analytical techniques. The optimal leaching time, calcination temperature, and calcination time were 1 h, 500 degrees C, and 6 h respectively. The particle size of BJRHS was found to be 6-12 nm, which is less than that of RHA and CS. The BET surface area of BJRHS (204 m2/g) was found to be greater than RHA (110.5 m2/g) and CS (172.1 m2/g). Mesoporous nanosilica with excellent surface area and purity was produced sustainably from rice husk which could be recommended to use in the field of catalysis, polymer technology, etc.
}, keywords = {Averrhoa bilimbi juice, Bioleaching, Nanosilica, rice husk}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2023.137476}, author = {Dominic, C. D. Midhun and Neenu, K. V. and Begum, P. M. Sabura and Joseph, Rani and Rosa, Derval dos Santos and Duan, Yongxin and Balan, Aiswarya and Ajithkumar, T. G. and Soumya, Mary and Shelke, Ankita and Parameswaranpillai, Jyotishkumar and Badawi, Michael} } @article {48272, title = {Nanostructured Co-doped BiVO4 for efficient and sustainable photoelectrochemical chlorine evolution from simulated sea-water}, journal = {Dalton Transactions}, volume = {52}, year = {2023}, month = {FEB}, pages = {2051-2061}, type = {Article}, abstract = {
The co-production of hydrogen and chlorine from sea-water splitting could be a potential, sustainable and attractive route by any method. However, challenges to overcome are many, and critically, the sustainability and operating potential of the electrocatalyst are important. In this work, we report on Co-doping in the BiVO4 (Co-BV) crystal lattice and employed the same as the photoanode; Co-BV exhibits a photocurrent of 190 mu A cm(-2) at 1.1 V vs. RHE (the reversible hydrogen electrode) in the acidic sodium chloride solution (pH 2.3) under one sun illumination. The best-performing photoanode, with 0.05 mol\% of Co doping (0.05 Co-BV), selectively produced active chlorine with 92\% faradaic efficiency at 1.1 V vs. RHE by successfully suppressing the kinetically sluggish oxygen evolution reaction (OER) and the stability of the catalyst was demonstrated for up to 20 h. This is the lowest operating potential reported for the chlorine evolution reaction (CER), thus far. The overpotential required for CER with 0.05 Co-BV is lower than that of OER, which leads to selective CER at 1.1 V (vs. RHE). Co-doping into the BiVO4 lattice decreases the charge transfer resistance and enhances the CER kinetics due to its structural and electronic integration with the BV lattice. We demonstrate that Co-doping also improves the lifetime of the charge carrier and enhances the current density of CER and sustainability of the catalyst.
}, issn = {1477-9226}, doi = {10.1039/d2dt03369k}, author = {Chauhan, Inderjeet and Patra, Kshirodra Kumar and Bajpai, Himanshu and Mhamane, Nitin B. and Salgaonkar, Kranti N. and Gopinath, Chinnakonda S.} } @article {48760, title = {NHC-catalyzed enantioselective synthesis of tetracyclic δ-lactones by (4+2) annulation of ortho-quinodimethanes with activated ketones}, journal = {Organic Letters}, volume = {25}, year = {2023}, month = {OCT }, pages = {7852-7857}, type = {Article}, abstract = {
The N-heterocyclic carbene (NHC)-catalyzed generation of ortho-quinodimethanes (o-QDMs) from 9H-fluorene-1-carbaldehydes followed by the interception with activated ketones resulting in the enantioselective synthesis of tetracyclic delta-lactones is presented. High diastereoselectivity of products, remote C-(sp(3))-H functionalization, broad substrate scope, and mild reaction conditions are the notable features of the present (4 + 2) annulation.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.3c03076}, author = {Sarkar, Deeptanu and Barik, Shilpa and Shee, Sayan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48752, title = {N-heterocyclic carbene-catalyzed atroposelective synthesis of N-N axially chiral 3-amino quinazolinones}, journal = {ACS Catalysis}, volume = {13}, year = {2023}, month = {JUN }, pages = {8752-8759}, type = {Article}, abstract = {
Although the atroposelective synthesisof biaryls and related compoundsbearing axially chiral C-C bonds is well-known, the synthesisof axially chiral C-N bond-containing compounds is relativelyless explored, and the construction of axially chiral N-N bondshas received only scant attention. Demonstrated herein is the N-heterocycliccarbene (NHC)-catalyzed selective amidation reaction, leading to theatroposelective synthesis of N-N axially chiral 3-amino quinazolinones.The NHC-catalyzed reaction of quinazolinones containing a free N-Hmoiety with \& alpha;,\& beta;-unsaturated aldehydes under oxidativeconditions furnished the atropisomeric quinazolinone derivatives undermild conditions and broad scope. Preliminary studies on experimentaland density functional theory-based N-N rotational barrierdetermination are also presented.
}, keywords = {amino quinazolinones, asymmetriccatalysis, axial chirality, N-heterocycliccarbenes, organocatalysis}, issn = {2155-5435}, doi = {10.1021/acscatal.3c01709}, author = {Balanna, Kuruva and Barik, Soumen and Barik, Shilpa and Shee, Sayan and Manoj, Niket and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48313, title = {Nitric acid free cyclohexane to adipic acid production using nickel and vanadium incorporated AlPO-5 molecular sieve}, journal = {Molecular Catalysis}, volume = {540}, year = {2023}, month = {APR }, pages = {113051}, type = {Article}, abstract = {
Rationally designing a stable and sustainable metal oxide supported over the molecular sieve catalysts for oxidizing cyclohexane (CYH) to adipic acid (AA) is vital in industrial applications. The in-situ hydrothermal synthesis method successfully incorporated vanadium and nickel into the aluminium phosphate-5 (AlPO-5) molecular sieves (MFI structure). The XPS and NH3 TPD analysis disclosed that the addition of Ni into V-AlPO-5 stabilizes the ratio of V4+/V5+, creating strong acidic sites and the formation of NiOOH, which are a vital role for the selective CYH oxidation to AA. An in-situ DRIFT study reveals that nickel takes part in the formation of dicarboxylate ions as an intermediate to form AA. Our catalytic studies profoundly suggested that the Ni0.1V0.2AlPO-5 catalyst used for CYH oxidation gives better selectivity towards AA (53\%) in the presence of oxygen at an appropriate amount of solvent without an initiator or promoter within a short time (3h).
}, keywords = {Adipic Acid, Cyclohexane oxidation, In situ DRIFT, NiOOH, NiVAlPO-5, Ratios ofV4+, V5+}, issn = {2468-8231}, doi = {10.1016/j.mcat.2023.113051}, author = {Prabu, Marimuthu and Sharma, Shweta and Raja, Abhishekram and Archana, Ramakrishnan and Samruddhi, Mane and Raja, Thirumalaiswamy} } @article {48667, title = {Non-confined gamma monoclinic sulfur cathode in carbonate electrolyte based room temperature K-S batteries}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {11}, year = {2023}, month = {JUL}, pages = {15924-15930}, type = {Article}, abstract = {
Potassium-sulfur cells have garnered a lot of interest in grid storage chemistry due to the high abundance of both elements and hence their low cost. However, their development is hindered by the polysulfide shuttle effect and their dependency on electrolytes with limited commercial viability. The inability to use carbonate electrolytes is due to the irreversible reaction between it and PS, rendering the cell useless in the first few cycles. Here we expand our use of monoclinic \& gamma;-sulfur in carbon nanofibers (\& gamma;S-CNFs) to the potassium-sulfur, K-S, chemistry. Herein we show that using \& gamma;-S enables the cells to run for 500 cycles at \& SIM;900 mA h g(-1) in commercial carbonate electrolytes. We further attempt to understand the role of \& gamma;S-CNFs in K-S cells with electrochemical characterization and postmortem spectroscopy. As far as we are aware this is the first application of \& gamma;-S in K-S cells. Its outstanding performance should lead to new avenues for the development of this promising chemistry.
}, issn = {2050-7488}, doi = {10.1039/d3ta01751f}, author = {Pai, Rahul and Cardoza, Neal Amadeus and Natu, Varun and Barsoum, Michel W. and Kalra, Vibha} } @article {48828, title = {Non-Markov models of single-molecule dynamics from information-theoretical analysis of trajectories}, journal = {Journal of Chemical Physics}, volume = {159}, year = {2023}, month = {AUG }, pages = {064104}, type = {Article}, abstract = {
Whether single-molecule trajectories, observed experimentally or in molecular simulations, can be described using simple models such as biased diffusion is a subject of considerable debate. Memory effects and anomalous diffusion have been reported in a number of studies, but directly inferring such effects from trajectories, especially given limited temporal and/or spatial resolution, has been a challenge. Recently, we proposed that this can be achieved with information-theoretical analysis of trajectories, which is based on the general observation that non-Markov effects make trajectories more predictable and, thus, more {\textquoteleft}{\textquoteleft}compressible{\textquoteright}{\textquoteright} by lossless compression algorithms. Toy models where discrete molecular states evolve in time were shown to be amenable to such analysis, but its application to continuous trajectories presents a challenge: the trajectories need to be digitized first, and digitization itself introduces non-Markov effects that depend on the specifics of how trajectories are sampled. Here we develop a milestoning-based method for information-theoretical analysis of continuous trajectories and show its utility in application to Markov and non-Markov models and to trajectories obtained from molecular simulations.
}, issn = {0021-9606}, doi = {10.1063/5.0158930}, author = {Song, Kevin and Park, Raymond and Das, Atanu and Makarov, Dmitrii E. and Vouga, Etienne} } @article {48947, title = {Norbornenyl-pendant aromatic (co)poly(ether ether ketone)s}, journal = {Journal of macromolecular science part A- pure and applied chemistry}, volume = {60}, year = {2023}, month = {NOV }, pages = {790-800}, type = {Journal Article}, abstract = {
4, 4{\textquoteright}-(Bicyclo (2.2.1) hept-5-en-2 yl methylene) bis (2-methoxyphenol) (BPA-NB) was utilized as a step-growth monomer for the synthesis of (co)poly(ether ether ketone)s (PEEK-NBs) via nucleophilic aromatic substitution polycondensation. A homo and five PEEK-NBs were synthesized by polycondensation of 4, 4{\textquoteright}-difluorobenzophenone with BPA-NB and various compositions of BPA-NB and bisphenol-A, respectively. H-1 NMR spectroscopy confirmed the chemical structure and composition of PEEK-NBs. Inherent viscosity and number-average molecular weight values of PEEK-NBs were in the range 0.64 to 0.78 dL g(-1) and 62,670 to 84,470 g mol(-1), respectively, indicating the formation of polymers of reasonably high molecular weight. It was easy to dissolve PEEK-NBs in common organic solvents such as chloroform, dichloromethane, and tetrahydrofuran. Tough, transparent, and flexible films of PEEK-NBs could be cast from chloroform solution. X-Ray diffraction studies indicated amorphous nature of PEEK-NBs. Glass transition temperature (T-g) values, determined by DSC analysis, of PEEK-NBs were in the range 163 to190 degrees C and T-g values increased with the increase in mol \% of BPA-NB. The post-polymerization modification of a representative PEEK-NB was demonstrated using two azido compounds, namely, 4-(azidomethyl)-7-methoxy-2H-chromen-2-one and 9-(azidomethyl)anthracene, via metal-free azide-alkene 1,3-dipolar cycloaddition reaction to obtain copoly(ether ether ketone)s appended with coumarinyl and anthracenyl moieties, respectively.
}, keywords = {(Co)poly(ether ether ketone)s, azide-alkene click reaction, norbornenyl groups, post-polymerization modification}, issn = {1060-1325}, doi = {10.1080/10601325.2023.2261462}, author = {Talanikar, Aniket A. and Nagane, Samadhan S. and Wadgaonkar, Prakash P. and Rashinkar, Gajanan S.} } @article {48475, title = {Novel Biogenic Synthesis of Pd/TiO@BC as an electrocatalytic and possible energy storage materials}, journal = {Ceramics International}, volume = {49}, year = {2023}, month = {MAY}, pages = {15874-15883}, type = {Article}, abstract = {
The standard approach towards synthesizing nanomaterials exercising chemical or physical techniques generally costs more and necessitates using toxic chemicals, which negatively affect the environment. For the first time, an investigation of a basic green synthesis approach for Phyto fabrication of Pd/TiO@BC nanocomposite via biomass of rice husk (Oryza sativa L) is conducted to sustain the green chemistry for synthesis of less toxic chemicals. XRD analysis revealed that the structure of Phyto synthesized Pd/TiO@BC is crystalline, while UV, FTIR, SEM and EDX analyses marked the victorious nanocomposite biosynthesis. We have investigated the electrocatalytic and biomedical applications of the novel nanocomposite Pd/TiO@BC at different environmental conditions. Testing the potential electrochemical properties of Pd/TiO@BC to eliminate the Congo red (CR) dye from wastewater marked its high removal efficiency, which attained 90\% owing to the higher electron efficiency. Its sensitivity for CR was also examined, and acceptable degradation activity was observed. These Pd/TiO@BC proved to be beneficial in various fields, including electrochemistry, catalysis sensors, wastewater treatment, and nano-devices, and in the transformation of hazardous particles into less harmful substances. Its great potential for use as a supercapacitor is promised by its feature, including durability and compact stability. Significant guidelines could be extracted from the results, which are helpful in material size, synthesis, selection, and configuration design for various energy storage gadgets. The synthesis of high performance and economical materials through green chemistry is a novel approach towards effective energy storage and alteration procedure operation.
}, keywords = {Electro catalytic, Energy storage, Oryza sativa L biochar, Pd, PdNPs and TiONPs, TiO@BC}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2023.01.182}, author = {Khasim, Syed and Dastager, Syed G. and Alahmdi, Mohammed Issa and Hamdalla, Taymour A. and Panneerselvam, Chellasamy and Makandar, Mohammad Basha} } @article {48982, title = {Novel finding: 2,4-Di-tert-butylphenol from streptomyces bacillaris ANS2 effective against mycobacterium tuberculosis and cancer cell lines}, journal = {Applied Biochemistry and Biotechnology }, volume = {195}, year = {2023}, month = {NOV}, pages = {6572-6585}, type = {Article}, abstract = {
The aim of the present study is to identify actinobacteria Streptomyces bacillaris ANS2 as the source of the potentially beneficial compound 2,4-di-tert-butylphenol, describe its chemical components, and assess its anti-tubercular (TB) and anti-cancer properties. Ethyl acetate was used in the agar surface fermentation of S. bacillaris ANS2 to produce the bioactive metabolites. Using various chromatographic and spectroscopy analyses, the potential bioactive metabolite separated and identified as 2,4-di-tert-butylphenol (2,4-DTBP). The lead compound 2,4-DTBP inhibited 78\% and 74\% of relative light unit (RLU) decrease against MDR Mycobacterium tuberculosis at 100ug/ml and 50ug/ml concentrations, respectively. The Wayne model was used to assess the latent/dormant potential in M. tuberculosis H37RV at various doses, and the MIC for the isolated molecule was found to be 100ug/ml. Furthermore, the molecular docking of 2,4-DTBP was docked using Autodock Vinasuite onto the substrate binding site of the target Mycobacterium lysine aminotransferase (LAT) and the grid box was configured for the docking run to cover the whole LAT dimer interface. At a dosage of 1 mg/ml, the anti-cancer activity of the compound 2,4-DTBP was 88\% and 89\% inhibited against the HT 29 (colon cancer) and HeLa (cervical cancer) cell lines. According to our literature survey, this present finding may be the first report on anti-TB activity of 2,4-DTBP and has the potential to become an effective natural source and the promising pharmaceutical drug in the future.
}, keywords = {2, 4-Di-tert-butylphenol, anti-cancer, Anti-tubercular, Molecular docking, Streptomyces bacillaris}, issn = {0273-2289}, doi = {10.1007/s12010-023-04403-2}, author = {Kaari, Manigundan and Joseph, Jerrine and Manikkam, Radhakrishnan and Kalyanasundaram, Revathy and Sivaraj, Anbarasu and Anbalmani, Sivarajan and Murthy, Sangeetha and Sahu, Amit Kumar and Said, Madhukar and Dastager, Syed G. and Ramasamy, Balagurunathan} } @article {48750, title = {Novel shear thickening fluids possessing high shear rates using monodispersed silica nanoparticles and PEG}, journal = {Polymer Bulletin}, volume = {80}, year = {2023}, month = {DEC}, pages = {13069-13098}, type = {Article}, abstract = {
Higher shear rate possessing homogeneous shear thickening fluids were synthesized using monodispersed silica nanoparticles and polyethylene glycol (PEG). Novel homogeneous methodology was developed for the synthesis of shear thickening fluids using monodispersed silica nanoparticles and PEG. Shear rate of shear thickening fluids (STF) was determined using rheometer at room temperature. The normal shear rate was observed in the range of 100 to 1200 s(-1), whereas higher shear rate 2000 s(-1) was obtained using monodispersed silica nanoparticles, PEG and shear rate enhancer. Monodispersed silica nanoparticles were synthesized in a typical one-pot using modified Stober{\textquoteright}s method at room temperature. Precursors were used for the synthesis of monodispersed silica nanoparticles such as tetraethyl orthosilicate (TEOS), ethanol, deionized water and ammonia as catalyst. Particle size of monodispersed silica nanoparticles was in the range of 100-1200 nm, and particle size distribution was varied from 0.000 to 0.221. Synthesis of monodispersed silica nanoparticles was studied by various parameters, namely effect of TEOS concentration, grade of ethyl alcohol, ammonia concentration and water concentration. TEOS concentration effect shows particle size and particle size distribution increases with increase in concentration of TEOS. Even though concentration of TEOS was increased up to 5 times the observation was same for all particle sizes such as 100, 300 and 500 nm. Particularly in the case of 300 nm monodispersed silica nanoparticle synthesis, as TEOS concentration was increased from 1 to 5X (5 times) the particle size was increased from 331.7, 447.8, 497.0, 512.0 and 531.7 nm and particle size distribution was 0.005, 0.000, 0.006, 0.007 and 0.089, respectively. The effect of grade of ethyl alcohol illustrates that Indian rectified spirit shows almost similar results with respect to China make ethyl alcohol. Comparative study of China and Indian rectified spirit shows silica nanoparticle size was 174.6 and 174.2 nm, and particle size distribution was 0.065 and 0.071, respectively. Ammonia concentration effect explains particle size and particle size distribution increases with increase in concentration of ammonia. Water concentration effect shows particle size and particle size distribution increases with increase in concentration of ammonia. Comparative data of water concentration effect for 1316 and 1974 mL shows particle size were 321.7 and 488.0 nm, and particle size distribution was 0.083 and 0.05, respectively, under similar conditions. Morphological studies displayed the shape of the silica nanoparticles was spherical, monodispersed and isolated. A typical TEM image of monodispersed silica nanoparticles for 500 nm was observed with extremely low polydispersity, i.e., 0.000. It is very difficult to get such a type of excellent photograph of monodispersity by Stober{\textquoteright}s method particularly on large scale. Rheology study of homogeneous shear thickening fluids studied by varying the parameters such as composition of silica nanoparticles with PEG, effect of amount of solvent, effect of refluxing time, effect of additive with respect to the mol. wt. of PEG and effect of additive such as Tannin. All these parameters of STF explored with respect to the shear rate and shear viscosity. Effect of ethanol amount on STF demonstrates the shear rate increases with increase in amount of solvent. Effect of refluxing time on STF exhibits the shear rate increases with increase in refluxing time. Effect of composition based on 500 nm monodispersed silica nanoparticles and PEG 200 with respect to 60:40, 65:35 and 70:30 composition was studied and the results predict that shear rate increases with increase in silica percentage in composition, i.e., 118, 265 and 1200 s(-1) for 60:40, 65:35 and 70:30 composition, respectively, whereas maximum viscosity decreases with increase in silica content, i.e., 2.559, 1.420 and 1.200 Pa.s for 60:40, 65:35 and 70:30 composition, respectively. Effect of additive on shear rate and shear viscosity illustrates that shear rate decreases with increase in additive percentage in composition, whereas maximum viscosity increases with increase in additive content. Effect of additives on shear rate and shear viscosity was performed using 65:35 composition with respect to PEG 200 along with PEG 6000 shows shear rate was decreased from 142 to 6.42 s(-1) and maximum viscosity was increased from 56.1 to 571.0 Pa.s when the quantity of PEG 6000 was doubled. In general, additive decreases shear rate and increases shear viscosity (maximum). But effect of Tannin as an additive on 500 nm monodispersed silica nanoparticles with PEG 200 using 70:30 composition showed enormous increase in shear rate, i.e., 2000 s(-1). This is anomalous behavior of additive was observed.
}, keywords = {Monodispersed silica nanoparticles, Nanocomposite, Polyethylene glycol, Shear rate, Shear thickening fluid}, issn = {0170-0839}, doi = {10.1007/s00289-023-04696-7}, author = {Chavan, Nayaku and Dhage, Atul and Wale, Apparav and Thorave, Asmita and Rajdeo, Kishor and Kamble, Sanjay and Ponrathnam, Surendra and Tambe, Sanjeev and Verma, Sanjeevkumar} } @article {48451, title = {Oligothiophene-ring-strapped perylene bisimides: functionalizable coaxial donor-acceptor macrocycles}, journal = {Angewandte Chemie-International Edition}, volume = {62}, year = {2023}, month = {JAN}, type = {Article}, abstract = {
Aesthetic designs from nature enable new knowledge to be gained and, at the same time, inspire scientific models. In this context, multicomponent macrocycles embody the advantage of precisely positioning the structural units to achieve efficient communication between them. However, the construction of a functionalizable macrocycle for ultrafast charge separation and stabilization has not been attempted. Herein, we report the synthesis, crystal structure, and transient absorption of a new functionalizable macrocycle consisting of an oligothiophene-ring-strapped perylene bisimide. Transient absorption results point to a sequential improvement in charge separation and stabilization from the macrocycle to the corresponding linear dimer and 2D polymer due to the unique design. Our macrocycle design with a supportive spatial arrangement of the donor and acceptor units will inspire the development of more complex synthetic systems with exciting electron-transfer and charge-separation features.
}, keywords = {Charge Separation, Donor-Acceptor Systems, Electron Transfer, Macrocycles, Perylene Bisimides}, issn = {1433-7851}, doi = {10.1002/anie.202212934}, author = {Dnyaneshwar Veer, Sairam and Chandrakant Wakchaure, Vivek and Asokan, Kiran and Dixit, Ruchi and Goswami, Tanmay and Saha, Ramchandra and Gonnade, Rajesh and Ghosh, Hirendra N. and Santhosh Babu, Sukumaran} } @article {48784, title = {One-pot synthesized efficient molybdenum-niobium-oxide nanocatalyst for selective C-O and C-N coupling reactions at mild conditions}, journal = {Catalysis Communications}, volume = {183}, year = {2023}, month = {OCT}, pages = {106766}, type = {Article}, abstract = {
An efficient molybdenum-niobium-oxide nanomaterial was synthesized by a one-pot hydrothermal method for selective C-O (glycerol ketalization) and C-N coupling (benzylamine oxidation) reactions. The catalytically favourable properties, such as defective metal sites, truncated surfaces, and uniform metal dispersion in the MoO3-Nb2O5 nanorods, calcined at 500 degrees C (MoNb OPS-5), were confirmed by Raman, HR-TEM, and STEM-EDX, respectively. Because of improved Lewis/Bronsted acidic strength, the MoNb OPS-5 catalyst showed higher activity in glycerol ketalization and benzylamine oxidation at mild conditions, giving superior selectivity to solketal (97\%) and dibenzylimine (99\%), respectively. The MoNb OPS-5 catalyst showed high structural stability and considerable good reusability efficacy.
}, keywords = {C-O and C-N coupling, Glycerol and benzylamine, Mo-Nb-O nanocatalyst, nanocatalysts, One-pot hydrothermal synthesis}, issn = {1566-7367}, doi = {10.1016/j.catcom.2023.106766}, author = {Kalbande, Pavan Narayan and Singh, Nittan and Swapna, Bhattu and Umbarkar, Shubhangi and Sudarsanam, Putla} } @article {48817, title = {Opaque cell-specific proteome of Candida albicans ATCC 10231}, journal = {Medical Mycology}, volume = {61}, year = {2023}, month = {JUL}, pages = {myad062}, type = {Article}, abstract = {
Candida albicans, a polymorphic opportunistic pathogen of humans, can exist in different morphological forms like yeast, hyphae, pseudohyphae, chlamydospores, and white and opaque cells. Proteomic analysis of opaque form of C. albicans ATCC 10231 is carried out in the present study using microflow liquid chromatography-tandem mass spectrometry and validated using expression analysis of selected genes using reverse transcription quantitative real-time PCR and mitochondrial membrane potential assay. This is the first report identifying opaque cell-specific proteins of C. albicans. A total of 188 proteins were significantly modulated under opaque form compared to white cells, of which 110 were upregulated, and 78 were downregulated. It was observed that oxidative phosphorylation (OxPhos) and oxidative stress are enhanced in C. albicans cells growing under opaque form as proteins involved in OxPhos (Atp1, Atp3, Atp16, Atp7, Cox6, Nuc2, Qcr7, and Sdh12) and oxidative stress response (Gcs1, Gtt11, Gpx2, Sod1, Ccp1, and Lys7) were significantly upregulated. The maximum upregulation of 23.16- and 13.93-fold is observed in the cases of Ccp1 and Nuc2, respectively. The downregulation of proteins, namely Als1, Csh1, Sap9, and Rho1, determining cell surface chemistry indicates modulation in cell wall integrity and reduced adhesion of opaque cells compared to white cells. This study is significant as it is the first draft of the proteomic profile of opaque cells that suggests enhanced OxPhos, oxidative stress, and modulation in cell surface chemistry indicating reduced adhesion and cell wall integrity, which could be associated with reduced virulence in opaque form. However, a deeper investigation is needed to explore it further. Lay Summary Opaque form is one of the least studied morphological forms of Candida albicans. To the best of our knowledge, this is the first report providing opaque cell-specific proteome. It suggests enhanced oxidative phosphorylation, oxidative stress, and modulation in cell surface chemistry, which could be associated with reduced virulence in opaque form.
}, keywords = {albicans, C, LC-MS, MS, opaque, Oxidative stress, OxPhos, protein}, issn = {1369-3786}, doi = {10.1093/mmy/myad062}, author = {Abdulghani, Mazen and Telang, Saraswati and Desai, Manisha and Kadam, Shivdas and Kazi, Rubina and Shelar, Amruta and Patil, Rajendra and Maurya, Radheshyam and Zore, Gajanan} } @article {48290, title = {Organic field effect transistors comprising copolymers synthesized without structure-directing moieties with enhanced carrier mobility}, journal = {ACS Applied Electronic Materials}, volume = {5}, year = {2023}, month = {APR}, pages = {2338-2344}, type = {Article}, abstract = {
Conjugated materials are synthesized by C-C bond formation reactions. Trimethyltin and boronic acid are two widely used structure-directing moieties. While using the ethynyl moiety as a part of the monomer, additional structure-directing moieties are not needed. However, ethynylene will be part of the conjugated material. Often, the polymers with an ethynylene moiety negatively impact the polymers{\textquoteright} properties. However, the ethynylene moiety could minimize the dihedral angle if the monomer has steric functionalities. For example, BODIPY is an attractive monomer due to its high molar extinction coefficient, partial quinoidal character, and high quantum yield. However, materials based on BODIPY exhibited poor charge carrier mobility due to steric hindrance generated by four methyl groups. Herein, we copolymerize BODIPY with ethynylene comprising i-indigo and thieno-i-indigo. The copolymer with thieno-i-indigo showed increased molecular weight and significantly reduced band gap compared to the copolymer with i-indigo. The copolymer with i-indigo showed immeasurably low hole transport mobility. On the other hand, the copolymer with thieno-i-indigo exhibited 0.003 cm2V(-1) s(-1). These measurements were made using field effect transistors. We also measured the charge carrier mobility using the space charge-limited current method. Both copolymers exhibited a mobility of 10(-3) cm(2) V-1 s(-1).
}, keywords = {acetylene linkage, BODIPY, field effect transistor, iso-indigo, Sonogashira coupling, thienoisoindigo}, doi = {10.1021/acsaelm.3c00160}, author = {Swain, Gitanjali and Javaregowda, Bharathkumar H. and Dambhare, Neha V. and Krishnamoorthy, Kothandam} } @article {48681, title = {Organocatalysed one-pot three component synthesis of 3,3'-disubstituted oxindoles featuring an all-carbon quaternary center and [spiro 2H-pyran-3,4'-indoline]}, journal = {RSC Advances}, volume = {13}, year = {2023}, month = {APR}, pages = {13206-13212}, type = {Article}, abstract = {
A simple and efficient methodology for the one-pot synthesis of 3,3 {\textquoteleft}-disubstituted oxindoles featuring an all-carbon quaternary center has been demonstrated through l-proline catalysed three-component reaction based on sequential Knoevenagel condensation/Michael addition and also one-pot synthesis of spiro[2H-pyran-3,4 {\textquoteleft}-indoline] through consecutive Knoevenagel condensation/Michael addition/reduction/cyclization reactions from readily available isatin derivatives, malononitrile, and ketones. The present methodology presents several advantages, including simple reaction set-up, short reaction times, and easy to work-up. Also, this strategy offers broad substrate scope with excellent yields and high atom economy, under mild reaction conditions.
}, doi = {10.1039/d3ra00510k}, author = {Nichinde, Chandrakant B. and Patil, Baliram R. and Chaudhari, Suryakant S. and Mali, Bhupendra P. and Gonnade, Rajesh G. and Kinage, Anil K.} } @article {48260, title = {Organophosphites: an addition to the arsenal of organocatalysts}, journal = {European Journal of Organic Chemistry}, volume = {26}, year = {2023}, month = {JAN}, type = {Review}, abstract = {
Organophosphites are nucleophilic in nature and can act as a good leaving group owing to the stability of the phosphite anion. This dual reactivity makes them good candidates for nucleophilic organocatalysis. However, phosphites were introduced only in 2004 as the umpolung catalyst for acylsilane substrates utilizing sequential Brook rearrangements. Very recently, phosphites have been reported to catalyze aza-rearrangements and radical reactions. In this review, we discuss the reactivity parameters to understand its lack of use, as well as the potential for catalysis.
}, keywords = {acylradical, azaacyl equivalent, cylanion, organocatalysis, phosphite}, issn = {1434-193X}, doi = {10.1002/ejoc.202201238}, author = {Baral, Nilofar and Rani, Soniya and Saikia, Pinku and Maity, Pradip} } @article {48811, title = {Origin of optoelectronic contradictions in 3,4-cycloalkyl[c]-chalcogenophenes: a computational study}, journal = {Polymers}, volume = {15}, year = {2023}, month = {NOV}, pages = {4240}, type = {Article}, abstract = {
The planar morphology of the backbone significantly contributes to the subtle optoelectronic features of pi-conjugated polymers. On the other hand, the atomistic tuning of an otherwise identical pi-backbone could also impact optoelectronic properties systematically. In this manuscript, we compare a series of 3,4-cycloalkylchalcogenophenes by tuning them atomistically using group-16 elements. Additionally, the effect of systematically extending these building blocks in the form of oligomers and polymers is studied. The size of the 3,4-substitution affected the morphology of the oligomers. In addition, the heteroatoms contributed to a further alteration in their geometry and resultant optoelectronic properties. The chalcogenophenes, containing smaller 3,4-cycloalkanes, resulted in lower bandgap oligomers or polymers compared to those with larger 3,4-cycloalkanes. Natural bonding orbital (NBO) calculations were performed to understand the disparity alongside the contour maps of frontier molecular orbitals (FMO).
}, keywords = {chalcogenophene, DFT calculation, Morphology, optoelectronic properties, steric effect}, doi = {10.3390/polym15214240}, author = {Masilamani, Ganesh and Krishna, Gamidi Rama and Debnath, Sashi and Bedi, Anjan} } @article {48292, title = {Oxidation of ethylene by Cu/TiO2: reducibility of Cu2+ in TiO2 as a possible descriptor of catalytic efficiency}, journal = {Catalysis Science \& Technology}, volume = {13}, year = {2023}, month = {APR}, pages = {2330-2339}, type = {Article}, abstract = {
Catalytic oxidation using non-noble metal-based catalysts is a promising approach to mitigate pollution due to VOCs in the air. In this work, mesoporous Cu/TiO2 catalysts containing different concentrations of Cu2+ (0.2, 1, 3, and 4 wt\% Cu w.r.t. Ti) were synthesized using the sol-gel technique. The catalysts were characterized using inductively coupled plasma-optical emission spectrometry, XRD, Raman spectroscopy, N-2 physisorption, cyclic voltammetry, H-2-TPR and electron microscopy to understand the structure and composition. The thermal catalytic gas phase oxidation of ethylene was studied by heating a mixture of ethylene (1.5 vol\%) and air (5.9 vol\%) in the presence of the Cu/TiO2 samples in the temperature range of 298 to 773 K. Cu/TiO2 showed a higher catalytic activity compared to TiO2 for the thermal oxidation of ethylene, indicating a strong promotion by doped copper ions. A volcanic behaviour in the catalytic activity was observed with different concentrations of Cu doping, with 1\% Cu/TiO2 showing a 99.5\% ethylene conversion at 673 K and 100\% selectivity to CO2. The activity of 1\% Cu/TiO2 remained consistent without deactivation for 24 h. At low dopant concentrations of Cu (0.2 and 1\% Cu/TiO2), the reduction of Cu2+ to Cu+ was observed. An interplay of oxygen vacancies (O-V), Cu+, Cu2+ and Ti4+ may be involved in controlling the activity. DRIFT studies indicated the formation of surface bidendate carbonate as a possible intermediate.
}, issn = {2044-4753}, doi = {10.1039/d2cy02170f}, author = {Rajendran, K. and Sharma, Mandeep and Jaison, Augustine and Ankitha, Menon and Tiwari, Ankit D. and Vinod, C. P. and Jagadeesan, Dinesh} } @article {48270, title = {Palladium-catalyzed chemoselective oxygenation of C(sp2)-H and C(sp3)-H bonds in isatins}, journal = {Organic Letters}, volume = {25}, year = {2023}, month = {MAR}, pages = {1862-1867}, type = {Article}, abstract = {
The palladium-catalyzed chemoselective C(sp2)-H and C(sp3)-H bond oxygenation of substituted isatin derivatives is reported. This mild protocol exhibits the C5 C(sp2)-H oxygenation of isatins through electrophilic intermolecular C-H palladation in concentrated solutions using PhI(OAc)2 or Selectfluor as an oxidant, whereas it exhibits- N-CH3 C(sp3)-H oxygenation in dilute solutions via carbonyl-assisted intramolecular palladation in the presence of K2S2O8. This oxygenation reaction provides a direct and unified approach for synthesizing diverse oxygenated isatins with sensitive functionalities, including biorelevant compounds.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.3c00342}, author = {Vijaykumar, Muniyappa and Pradhan, Chandini and Gonnade, Rajesh G. and Punji, Benudhar} } @article {48460, title = {Palladium-catalyzed oxidative cyclization of ?-allenols in the presence of TBN: access to 3(2H)-furanones}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {APR}, pages = {4112-4122}, type = {Article}, abstract = {
A new palladium-catalyzed oxidative cyclization of alpha-allenols is described. The readily accessible alpha-allenols participate in intra-molecular oxidative cyclization in the presence of TBN to grant access to multisubstituted 3(2H)-furanones, which are common motifs in several biologically important natural products and pharmaceuticals.
}, keywords = {Alternatively, conditions, cumbersome workup, intramolecular electrophilic, multiple reaction steps, noted examples}, issn = {0022-3263}, doi = {10.1021/acs.joc.2c024574112}, author = {Ghotekar, Ganesh S. and Shinde, Ravi A. and Saswade, Sagar S. and Muthukrishnan, M.} } @article {48671, title = {Palladium-catalyzed polar solvent empowered synthesis of hyper-branched ethylene oligomers and their applications}, journal = {Polymer Chemistry}, volume = {14}, year = {2023}, month = {JUL}, pages = {3239-3251}, type = {Article}, abstract = {
In this contribution, we report the synthesis of two naphthoxy imine ligands, 2-(((2,6-dibenzhydryl-4-methoxyphenyl)imino)methyl)naphthalen-1-ol (L1) and 2-(((2,6-diisopropylphenyl)imino)methyl)naphthalen-1-ol (L2), with different steric and electronic features. L1 and L2 were treated with [(TMEDA)PdMe2] to obtain the corresponding neutral palladium(ii) complexes Cat.1 and Cat.2 in excellent yields. The identity of Cat.1 and Cat.2 was unambiguously ascertained using a combination of spectroscopic and analytical methods, including single-crystal X-ray diffraction. When exposed to 5 bar ethylene pressure, Cat.1 produced hyperbranched ethylene oligomers. The microstructure analysis of ethylene oligomers confirmed the existence of methyl, ethyl, propyl, and sec-butyl branches, with a molecular weight (M-n) of 500-1400 g mol(-1), a PDI of 1.46-2.10, and 67-106 branches per 1000 carbon atoms. The use of a polar solvent, tetrahydrofuran, led to a remarkable 3-fold increase in oligomerization activity without compromising the branching and molecular weight. The resultant hyperbranched ethylene oligomers were selectively monofunctionalized using industrially practiced hydroformylation, ozonolysis, and epoxidation, almost quantitatively. The hydroxy functionalized ethylene oligomer (F4) (5 wt\%) was melt-compounded with LLDPE and Nylon-6 to produce a tough yet flexible blend with a higher strain-to-failure as compared to an uncompatibilized blend.
}, issn = {1759-9954}, doi = {10.1039/d3py00311f}, author = {Birajdar, Rajkumar S. and Gonnade, Rajesh G. and Pol, Harshawardhan V. and Prabhu, M. Basava and Rokade, Dhammaraj and Nandimath, Sheetal and Chikkali, Samir H.} } @article {48968, title = {Palmitoylation of the glucagon-like peptide-1 receptor modulates cholesterol interactions at the receptor-lipid microenvironment}, journal = {Journal of Physical Chemistry B}, volume = {127}, year = {2023}, month = {DEC }, pages = {11000-11010}, type = {Article}, abstract = {
The G protein-coupled receptor (GPCR) superfamily of cell surface receptors has been shown to be functionally modulated by post-translational modifications. The glucagon-like peptide receptor-1 (GLP-1R), which is a drug target in diabetes and obesity, undergoes agonist-dependent palmitoyl tail conjugation. The palmitoylation in the C-terminal domain of GLP-1R has been suggested to modulate the receptor-lipid microenvironment. In this work, we have performed coarse-grain molecular dynamics simulations of palmitoylated and nonpalmitoylated GLP-1R to analyze the differential receptor-lipid interactions. Interestingly, the placement and dynamics of the C-terminal domain of GLP-1R are found to be directly dependent on the palmitoyl tail. We observe that both cholesterol and phospholipids interact with the receptor but display differential interactions in the presence and absence of the palmitoyl tail. We characterize important cholesterol-binding sites and validate sites that have been previously reported in experimentally resolved structures of the receptor. We show that the receptor acts like a conduit for cholesterol flip-flop by stabilizing cholesterol in the membrane core. Taken together, our work represents an important step in understanding the molecular effects of lipid modifications in GPCRs.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.3c05930}, author = {Naglekar, Amit and Chattopadhyay, Amitabha and Sengupta, Durba} } @article {48476, title = {Parallel evolution of cannabinoid biosynthesis}, journal = {Nature Plants}, volume = {9}, year = {2023}, month = {MAY}, pages = {817+}, type = {Article}, abstract = {
This study reveals a cannabinoid biosynthetic pathway in Helichrysum umbraculigerum, a plant genetically distant from Cannabis, providing a potential source of new cannabinoids and metabolic engineering tools. Modulation of the endocannabinoid system is projected to have therapeutic potential in almost all human diseases. Accordingly, the high demand for novel cannabinoids stimulates the discovery of untapped sources and efficient manufacturing technologies. Here we explored Helichrysum umbraculigerum, an Asteraceae species unrelated to Cannabis sativa that produces Cannabis-type cannabinoids (for example, 4.3\% cannabigerolic acid). In contrast to Cannabis, cannabinoids in H. umbraculigerum accumulate in leaves{\textquoteright} glandular trichomes rather than in flowers. The integration of de novo whole-genome sequencing data with unambiguous chemical structure annotation, enzymatic assays and pathway reconstitution in Nicotiana benthamiana and in Saccharomyces cerevisiae has uncovered the molecular and chemical features of this plant. Apart from core biosynthetic enzymes, we reveal tailoring ones producing previously unknown cannabinoid metabolites. Orthology analyses demonstrate that cannabinoid synthesis evolved in parallel in H. umbraculigerum and Cannabis. Our discovery provides a currently unexploited source of cannabinoids and tools for engineering in heterologous hosts.
}, issn = {2055-026X}, doi = {10.1038/s41477-023-01402-3}, author = {Berman, Paula and de Haro, Luis Alejandro and Jozwiak, Adam and Panda, Sayantan and Pinkas, Zoe and Dong, Younghui and Cveticanin, Jelena and Barbole, Ranjit and Livne, Rotem and Scherf, Tali and Shimoni, Eyal and Levin-Zaidman, Smadar and Dezorella, Nili and Petrovich-Kopitman, Ekaterina and Meir, Sagit and Rogachev, Ilana and Sonawane, Prashant D. and Aharoni, Asaph} } @article {48308, title = {Pd loaded bismuth ferrite: a versatile perovskite for dual applications as acetone gas sensor and photocatalytic dye degradation of malachite green}, journal = {Ceramics International}, volume = {49}, year = {2023}, month = {FEB}, pages = {5738-5747}, type = {Article}, abstract = {
Herein we report the palladium loaded bismuth ferrite for its bidirectional application as acetone gas sensor and photocatalytic dye degradation of malachite green. The motivation for loading Pd on bismuth ferrite (BFO) is due to its fascinating catalytic redox reactions causing faster adsorption and desorption of the oxygen molecules over the metal oxide. The planned perovskites were developed via surfactant assisted sol-gel auto-combustion route, and characterized their physico-chemical properties using XRD, SEM, TEM, HRTEM, EDAX, XPS and BET. The developed BFO showed the best selectivity towards acetone, whose response was 69\% at 300 degrees C operating temperature for 500 ppm gas concentration. By tuning the surface area and catalytic behavior using CTAB and Pd loading, respectively, the enhancement in the gas response properties of BFO was achieved to 95\% with the response and recovery time of 75 s and 104 s. The 1 wt\% Pd loaded BFO showed the highest response (95\%) in comparison to rest of the Pd loadings (0.5, 1.5 and 2.0 wt\%). Moreover, the sunlight driven photocatalytic dye degradation of malachite green is carried out at 1 h exposure time. Here as well, 1 wt\% Pd loaded BFO exhibited the maximum dye degradation efficiency of 51\%. The results of this study demonstrate the developed perovskites have a significant potential for the use in dual applications such as acetone gas sensor and MG photocatalysis.
}, keywords = {Acetone sensor, Bismuth ferrite, Palladium loading, Photo dye -degradation}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2022.10.153}, author = {Ghadage, Pandurang and Kodam, Pavan and Nadargi, Digambar and Patil, Suraj and Tamboli, Mohaseen and Bhandari, Nagesh and Mulla, Imtiaz and Park, Chinho and Suryavanshi, Sharad} } @article {48723, title = {Pd nanoparticles supported on N-incorporated hybrid organosilica as an active and selective low-temperature phenol hydrogenation catalyst}, journal = {ACS Applied Nano Materials}, volume = {6}, year = {2023}, month = {JUN}, pages = {11500-11512}, type = {Article}, abstract = {
A heterogeneous Pd-NPMO hybrid-silicacatalyst is synthesized andits application for aqueous phase selective hydrogenation of phenolto cyclohexanone at near ambient temperature (40 degrees C) and underatmospheric hydrogen pressure is demonstrated. The homogeneously distributedPd nanoparticles on N-bridged hybrid mesoporous organosilica showedremarkable activity and selectivity for cyclohexanone compared tothe unmodified Pd-SBA-15 catalyst. Control experiments strongly claimthe role of nitrogen domains in the organic framework of hybrid silicasupport in stabilizing small Pd nanoparticles and possibly modifyingthe Pd sites responsible for catalysis to activate the substrate moleculesin water. The hybrid silica catalyst was stable and reused severaltimes without any significant drop-in activity, proving the heterogeneityof the bifunctional Pd catalyst. Based on the density functional theorystudy and experimental interventions, a possible reaction mechanismfor the low-temperature phenol hydrogenation explaining the role oforganic domains in the hybrid-silica framework is proposed.
}, keywords = {cyclohexanone, Hybrid silica, palladium nanoparticles, Periodic mesoporous organosilica, phenol hydrogenation}, doi = {10.1021/acsanm.3c01540}, author = {Betsy, K. J. and Bajpai, Priyam and Lazar, Anish and Vanka, Kumar and Vinod, C. P.} } @article {48783, title = {Pd(II)-catalyzed tandem cycloannulative-alkenylation of o-alkynyl-phenols/anilines with (E)-β-Iodovinyl sulfones: a direct strategy to construct 3-(Vinyl sulfonyl)benzoheterole derivatives}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {JUN }, pages = {8889-8903}, type = {Article}, abstract = {
Benzoheterolesand vinyl sulfones are the most promisingpharmaceuticalrelevance motifs, yet the hybrid analogues of these scaffolds stillneed to be explored. We report herein a general and highly efficientPd(OAc)(2)-catalyzed intramolecular cyclization and vinylationof o-alkynylphenols/o-alkynylanilineswith (E)-beta-iodovinyl sulfones under mild reactionconditions. A direct C(sp(2))-C(sp(2)) cross-couplingis enabled for the diversity-oriented synthesis of vinyl sulfone-tetheredbenzofurans and indoles in good to high yields with excellent stereoselectivity.Notably, this tandem process was consistent at the gram scale, andin situ, generation of 2-(phenylethynyl)phenol has also been utilizedin a scalable synthesis. Late-stage synthetic transformations werealso further explored, including isomerization and desulfonylative-sulfenylation.Moreover, several control experiments were accomplished, and we proposeda plausible mechanism based on existing experimental results.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c00671}, author = {Reddy, Raju Jannapu and Sharadha, Nunavath and Krishna, Gamidi Rama} } @article {48712, title = {Permeable polymersomes from temperature and pH dual stimuli-responsive PVCL-b-PLL block copolymers for enhanced cell internalization and lysosome targeting}, journal = {Biomaterials Advances}, volume = {151}, year = {2023}, month = {AUG}, pages = {213454}, type = {Article}, abstract = {
A series of dual stimuli-responsive block copolymers comprising temperature-responsive poly(N-vinyl-caprolactam) (PVCL) and biodegradable pH-responsive poly(L-lysine) (PLL) of varying chain length were syn-thesized by a combination of free radical polymerization and ring opening polymerization. The block copolymers formed micelles and vesicles (polymersomes) in response to temperature and pH, respectively, in aqueous so-lution. The nanoassemblies were characterized by transmission electron microscopy and dynamic light scattering techniques. Encapsulation of both hydrophobic and hydrophilic dyes in the polymersomes was shown. Doxo-rubicin (DOX) was loaded in the polymersomes and its controlled release in response to the two stimuli, inde-pendently and jointly, was studied. The drug was found to be released due to stimuli-induced increased permeability without disassembly of the polymersomes. A significant increase in the cellular uptake of the drug-loaded polymersomes at hyperthermia conditions was demonstrated at 41 degrees C and release of the drug upon localization in lysosomes was observed. Cellular internalization pathway of the polymersomes was investigated by competitive inhibition assay and a combination of endocytic pathways dominated by caveolae-mediated mechanism was found to be operative.
}, keywords = {block copolymers, Controlled release, drug delivery, endocytosis, Polymersomes, Stimuli-responsive}, doi = {10.1016/j.bioadv.2023.213454}, author = {Surapaneni, Sai Geetika and Choudhari, Shakeb N. and Avhad, Shankarrao V. and Ambade, Ashootosh V.} } @article {48926, title = { Phased short-interfering RNA siRD29(-) regulates GIBBERELLIN 3-OXIDASE 3 during stolon-to-tuber transitions in potato}, journal = {Plant Physiology }, volume = {193}, year = {2023}, month = {NOV }, pages = {2555-2572}, type = {Article}, abstract = {
Phased short-interfering RNAs (phasiRNAs) fine tune various stages of growth, development, and stress responses in plants. Potato (Solanum tuberosum) tuberization is a complex process, wherein a belowground modified stem (stolon) passes through developmental stages like swollen stolon and minituber before it matures to a potato. Previously, we identified several phasiRNA-producing loci (PHAS) from stolon-to-tuber transition stages. However, whether phasiRNAs mediate tuber development remains unknown. Here, we show that a gene encoding NB-ARC DOMAIN-CONTAINING DISEASE RESISTANCE PROTEIN (StRGA4; a PHAS locus) is targeted by Stu-microRNA482c to generate phasiRNAs. Interestingly, we observed that one of the phasiRNAs, referred as short-interfering RNA D29(-), i.e. siRD29(-), targets the gibberellin (GA) biosynthesis gene GIBBERELLIN 3-OXIDASE 3 (StGA3ox3). Since regulation of bioactive GA levels in stolons controls tuber development, we hypothesized that a gene regulatory module, Stu-miR482c-StRGA4-siRD29(-)-StGA3ox3, could govern tuber development. Through transient expression assays and small RNA sequencing, generation of siRD29(-) and its phase was confirmed in planta. Notably, the expression of StGA3ox3 was higher in swollen stolon compared to stolon, whereas siRD29(-) showed a negative association with StGA3ox3 expression. Antisense (AS) lines of StGA3ox3 produced more tubers compared to wild type. As expected, StRGA4 overexpression (OE) lines had high levels of siRD29(-) and mimicked the phenotypes of StGA3ox3-AS lines, indicating the functionality of this module in potato. In vitro tuberization assays (with or without a GA inhibitor) using StGA3ox3 antisense lines and overexpression lines of StGA3ox3 or StRGA4 revealed that StGA3ox3 controls the tuber stalk development. Taken together, our findings suggest that a phasiRNA, siRD29(-), mediates the regulation of StGA3ox3 during stolon-to-tuber transitions in potato. A phasiRNA module, Stu-miR482c-StRGA4-siRD29(-), regulates the expression of a gibberellin biosynthesis gene StGA3ox3 during stolon-to-tuber transitions in potato.
}, issn = {0032-0889}, doi = {10.1093/plphys/kiad493}, author = {Malankar, Nilam and Kondhare, Kirtikumar and Saha, Kishan and Mantri, Mohit and Banerjee, Anjan} } @article {48950, title = {Phenol hydrogenation to cyclohexanol catalysed by palladium supported on CuO/CeO2}, journal = {Chemistry-an asian jounrnal}, volume = {18}, year = {2023}, month = {JUN }, type = {Journal Article}, abstract = {
Hydrogenation of phenol to cyclohexanone/cyclohexanol is an important reaction in production of nylon-6, nylon-66 and in petroleum industry. Liquid phase phenol hydrogenation over Pd-CuO/CeO2 was carried out under mild conditions. Palladium impregnated over CuO/CeO2 synthesized by co-precipitation method showed excellent catalytic activity for phenol hydrogenation (99\% conversion with 80\% cyclohexanol yield) at 90 degrees C and 10 bar H-2 pressure in water. Commercial 10\%Pd/C showed only 8\% phenol conversion under identical conditions. The detailed characterization revealed significant improvement in surface area of ceria after addition of CuO and decrease in crystallite size with creation of defects in CeO2 lattice. XPS analysis showed Pd loading on CuO/CeO2 to cause hydrogen spillover on the surface leading to increase in the oxygen vacancies. The interaction of phenol with catalyst surface studied by detailed FTIR analysis, revealed activation of phenol on oxygen vacancy of ceria as phenoxide ion with perpendicular orientation of aromatic ring on catalyst surface.
}, keywords = {Cyclohexanol, Hydrogen spillover, oxygen vacancies, Pd-CuO/CeO2, phenol hydrogenation}, issn = {1861-4728}, doi = {10.1002/asia.202300119}, author = {Kasabe, Mirabai M. and Kotkar, Vaibhav R. and Dongare, Mohan K. and Umbarkar, Shubhangi B.} } @article {48976, title = {Photocatalytic C-N bond construction toward high-value nitrogenous chemicals}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {DEC }, pages = {14341-14352}, type = {Article}, abstract = {
The construction of carbon-nitrogen bonds is vital for producing versatile nitrogenous compounds for the chemical and pharmaceutical industries. Among developed synthetic approaches to nitrogenous chemicals, photocatalysis is particularly prominent and has become one of the emerging fields due to its unique advantages of eco-sustainable characteristics, efficient process integration, no need for high-pressure H2, and tunable synthesis methods for developing advanced photocatalytic materials. Here, the review focuses on potential photocatalytic protocols developed for the construction of robust carbon-nitrogen bonds in discrepant activation environments to produce high-value nitrogenous chemicals. The photocatalytic C-N bond construction strategies and involved reaction mechanisms are elucidated. This review focuses on potential photocatalytic protocols developed for the construction of robust carbon-nitrogen bonds in discrepant activation environments to produce high-value nitrogenous chemicals.
}, issn = {1359-7345}, doi = {10.1039/d3cc04771g}, author = {Li, Jie and Liu, Tengyu and Singh, Nittan and Huang, Zhuochun and Ding, Yan and Huang, Jinshu and Sudarsanam, Putla and Li, Hu} } @article {48469, title = {Photocatalytic setup for in situ and operando ambient-pressure X-ray photoelectron spectroscopy at MAX IV Laboratory}, journal = {Journal of Synchrotron Radiation}, volume = {30}, year = {2023}, month = {MAY}, pages = {613-619}, type = {Article}, abstract = {
The Ambient-Pressure X-ray Photoelectron Spectroscopy (APXPS) endstation at the SPECIES beamline at MAX IV Laboratory has been improved. The latest upgrades help in performing photo-assisted experiments under operando conditions in the mbar pressure range using gas and vapour mixtures whilst also reducing beam damage to the sample caused by X-ray irradiation. This article reports on endstation upgrades for APXPS and examples of scientific cases of in situ photocatalysis, photoreduction and photo-assisted atomic layer deposition (photo-ALD).
}, keywords = {APXPS, photo-ALD, Photocatalysis, solar simulator}, issn = {0909-0495}, doi = {10.1107/S1600577523002801}, author = {Klyushin, Alexander and Ghosalya, Manoj and Kokkonen, Esko and Eads, Calley and Jones, Rosemary and Nalajala, Naresh and Gopinath, Chinnakonda S. and Urpelainen, Samuli} } @article {48785, title = {Photogating induced high sensitivity and speed from heterostructure of few-layer MoS2 and reduced graphene oxide-based photodetector}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {NOV}, pages = {30419-30427}, type = {Article}, abstract = {
Over the past few years, two-dimensional transition metal dichalcogenides (2D-TMDC) have attracted huge attention due to their high mobility, high absorbance, and high performance in generating excitons (electron and hole pairs). Especially, 2D molybdenum disulfide (MoS2) has been extensively used in optoelectronic and photovoltaic applications. Due to the low photo-to-dark current ratio (I-photo/dark) and low speed, pristine MoS2-based devices are unsuitable for these applications. So, they need some improvements, i.e., by adding layers or decorating with materials of complementary majority charges. In this work, we decorated pristine MoS2 with reduced graphene oxide (rGO) and got improved dark current, I-photo/dark, and response time. When we compared the performance of pristine MoS2 based device and rGO decorated MoS2 based device, the rGO/MoS2-based device showed an improved performance of responsivity of 3.36 A W-1, along with an I-photo/dark of about 154. The heterojunction device exhibited a detectivity of 4.75 x 10(12) Jones, along with a very low response time of 0.184 ms. The stability is also outstanding having the same device performance even after six months.
}, issn = {1463-9076}, doi = {10.1039/d3cp03518b}, author = {Das, Chayan and Kumar, Ashok and Kumar, Suresh and Dambhare, Neha V. and Kumar, Mahesh and Rath, Arup K. and Sahu, Satyajit} } @article {48320, title = {Photoinduced CO2 and N2 reductions on plasmonically enabled gallium oxide}, journal = {Journal of Colloid and Interface Science}, volume = {629}, year = {2023}, month = {JAN}, pages = {654-666}, type = {Article}, abstract = {
Ag-containing ZnO/ b-Ga2O3 semiconductor, which exhibit reduced bandgap, increased light absorption, and hydrophilicity, have been found to be useful for photocatalytic CO2 reduction and N2 fixation by water. The charge-separation is facilitated by the new interfaces and inherent vacancies. The Ag@GaZn demonstrated the highest photocurrent response, about 20-and 2.27-folds that of the Ga and GaZn sam-ples, respectively. CO, CH4, and H2 formed as products for photo-reduction of CO2. Ag@GaZn catalyst exhibited the highest AQY of 0.121 \% at 400 nm (31.2 W/m2). Also, Ag@GaZn generated 740 lmolg-1 of NH4+ ions, which was about 18-folds higher than Ga sample. In situ DRIFTS for isotopic-labelled 13CO2 and 15N2 reaffirmed the photo-activity of as-synthesized catalysts. Density functional theory pro-vided insight into the relative affinity of different planes of heterostructures towards H2O, CO2 and N2 molecules. The structure-photoactivity rationale behind the intriguing Ag@GaZn sample offers a funda-mental insight into the role of plasmonic Ag and design principle of heterostructure with improved pho-toactivity and stability.(c) 2022 Elsevier Inc. All rights reserved.
}, keywords = {CO2 reduction, DRIFTS density functional theory, hydrophilicity, Photocurrent response}, issn = {0021-9797}, doi = {10.1016/j.jcis.2022.09.097}, author = {Ojha, Niwesh and Thakkar, Kavita and Bajpai, Abhinav and Joshi, Kavita and Kumar, Sushant} } @article {48328, title = {Photoplethysmograph based arrhythmia detection using morphological features}, journal = {Biomedical Signal Processing and Control}, volume = {81}, year = {2023}, month = {MAR}, pages = {104422}, type = {Article}, abstract = {
Photoplethysmography (PPG) is a non-invasive optical technique that is used for the detection of cardiovascular diseases. The paroxysmal nature of arrhythmic events and the lack of timely recorded data emphasize the need to develop an automated method for the identification of arrhythmias. The literature shows the detection of a single type of arrhythmia using PPG. However, limited research has been carried out for the detection of multiple types of arrhythmia. In this research work, a new set of morphological features have been proposed for the automated detection of multiple arrhythmias using rule-based and statistical learning-based approaches. The proposed work has been implemented on the retrospective dataset and validated on the prospective dataset. The results show that the rule-based arrhythmia detection method is equipollent to the statistical learning approach with an accuracy of 98.43\%/94.16\% on the retrospective dataset and 94.16\%/93\% on the prospective dataset.
}, keywords = {Arrhythmia, Machine learning algorithms, Photoplethysmography, Signal processing}, issn = {1746-8094}, doi = {10.1016/j.bspc.2022.104422}, author = {Neha and Sardana, H. K. and Kanawade, R. and Dogra, N.} } @article {48797, title = {Photo-stable, 1D-nanofilaments TiO2-based lepidocrocite for photocatalytic hydrogen production in water-methanol mixtures}, journal = {Matter}, volume = {6}, year = {2023}, month = {SEP}, pages = {2853-2869}, type = {Article}, abstract = {
Water and sunlight are the cleanest, most renewable, and abundant resources on Earth. Developing inexpensive, scalable photocatalysts that are highly stable for hydrogen (H-2) production has long been a cherished dream of humanity. Herein, we report on one-dimensional lepidocrocite-based sub-nanofilaments (NFs), approximate to 5 x 7 \& Aring;(2) in cross-section, that generate H-2 from 80:20 v/v water/methanol mixtures when illuminated by simulated sunlight. The NFs were stable in the mixtures for times \>4,300 h, 300 h of which were under irradiation. Apparent quantum yields as high as 11.7\% were obtained. Based on deuterated water results, we conclude that water is the H-2 source. Further, no carbon dioxide (CO2) due to photocatalytic degradation of methanol was detected. Therefore, the NFs have strong green credentials and lucrative economic prospects for large scale up. We expect these NFs will lead to new lines for developing cheap and ultra-stable materials to produce H-2 photochemically for a long time.
}, issn = {2590-2393}, doi = {10.1016/j.matt.2023.05.026}, author = {Badr, Hussein O. and Natu, Varun and Neatu, Stefan and Neatu, Florentina and Kuncser, Andrei and Rostas, Arpad M. and Racey, Matthew and Barsoum, Michel W. and Florea, Mihaela} } @article {48744, title = {Physiologically-based pharmacokinetic model for tuberculosis drug disposition at extrapulmonary sites}, journal = {CPT-Pharmacometrics \& Systems Pharmacology}, volume = {12}, year = {2023}, month = {SEP}, pages = {1274-1284}, type = {Article}, abstract = {
Tuberculosis (TB) is a leading cause of mortality attributed to an infectious agent. TB primarily targets the lungs, but in about 16\% cases can affect other organs as well, giving rise to extrapulmonary TB (EPTB). However, an optimal regimen for EPTB treatment is not defined. Although the recommended treatment for most forms of EPTB is the same as pulmonary TB, the pharmacokinetics of EPTB therapy are not as well studied. To address this gap, we formulate a whole-body physiologically-based pharmacokinetic (PBPK) model for EPTB that for the first time includes the ability to simulate drug concentrations in the pleura and lymph node, the most commonly affected sites of EPTB. Using this model, we estimate the time-dependent concentrations, at potential EPTB infection sites, of the following four first-line anti-TB drugs: rifampicin, ethambutol, isoniazid, and pyrazinamide. We use reported plasma concentration kinetics data to estimate model parameters for each drug and validate our model using reported concentration data not used for model formulation or parameter estimation. Model predictions match the validation data, and reported pharmacokinetic parameters (maximum plasma concentration, time to reach maximum concentration) for the drugs. The model also predicts ethambutol, isoniazid, and pyrazinamide concentrations in the pleura that match reported experimental values from an independent study. For each drug, the predicted drug concentrations at EPTB sites are compared with their critical concentration. Simulations suggest that although rifampicin and isoniazid concentrations are greater than critical concentration values at most EPTB sites, the concentrations of ethambutol and pyrazinamide are lower than their critical concentrations at most EPTB sites.
}, issn = {2163-8306}, doi = {10.1002/psp4.13008}, author = {Ramachandran, Aparna and Gadgil, Chetan J.} } @article {48700, title = {PIDA-mediated N-N bond formation to access pyrazolidine-3,5-diones: a novel process for uricosuric agents G-25671 and sulfinpyrazone}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {JUN }, pages = {8242-8245}, type = {Article}, abstract = {
Traditionally, toxic and expensive hydrazine building blocks are required to construct pharmaceutically important pyrazolidine-3,5-diones. Herein, we have described a novel method for their synthesis based on metal-free oxidative dehydrogenative N-N bond formation by PIDA-mediated reaction of easily accessible dianilide precursors. The developed mild reaction protocol features a good functional group tolerance and scalability. The application of this method is demonstrated by offering a unique route for the synthesis of uricosuric agents G-25671 and sulfinpyrazone from inexpensive starting material aniline via smooth functionalization of the well-designed diversity-oriented cyclopropyl key intermediate.
}, issn = {1359-7345}, doi = {10.1039/d3cc02078a}, author = {Halder, Priyanka and Mhaske, Santosh B.} } @article {48759, title = {Polyethylene-grafted sheet-like silsesquioxane nanocomposites with unprecedented adhesion to polar substrates}, journal = {ACS Applied Polymer Materials}, volume = {5}, year = {2023}, month = {JUL}, pages = {5972-5983}, type = {Article}, abstract = {
Polyethylene is a highly apolar polymer with very pooradhesionto most substrates, necessitating the use of tie layers. Therefore,the synthesis of functional polyethylene is a long-standing challengein catalytic ethylene polymerization. Here, we report the preparationof a nanocomposite comprising polyethylene covalently grafted ontosheet-like silsesquioxanes, with unprecedented adhesion to metal andglass. A norbornene-grafted, layered Mg-silsesquioxane is treatedwith Grubbs second-generation catalyst (G-II), and the identity ofcovalently tethered G-II is unambiguously ascertained. Covalentlytethered G-II catalyzes the ring opening metathesis polymerizationof cyclooctene to poly(cyclooctene). The resulting poly(cyclooctene)is catalytically hydrogenated to yield polyethylene. This polyethylenenanocomposite exhibited a bonding strength of the order of 100 MPaon stainless steel and aluminum, 10-fold higher than reported forengineered polyethylene copolymers. The nanocomposite exhibits anincrease in the polar component of surface energy, yet remains compatibleand cocrystallizes with a polyethylene matrix.
}, keywords = {adhesion, clay, Nanocomposite, Polyethylene, silsesquioxane}, issn = {2637-6105}, doi = {10.1021/acsapm.3c00649}, author = {Sharma, Vivek and Paulbudhe, Uday and Bachhar, Nirmalya and Chikkali, Samir H. and Kumaraswamy, Guruswamy} } @article {47411, title = {Poly-gamma-glutamic acid biopolymer: a sleeping giant with diverse applications and unique opportunities for commercialization}, journal = {Biomass Conversion and Biorefinery}, year = {2023}, month = {APR}, type = {Review}, abstract = {
Poly-gamma-glutamic acid (gamma-PGA) is a biodegradable, non-toxic, ecofriendly, and non-immunogenic biopolymer. Its phenomenal properties have gained immense attention in the field of regenerative medicine, the food industry, wastewater treatment, and even in 3D printing bio-ink. The gamma-PGA has the potential to replace synthetic non-degradable counterparts, but the main obstacle is the high production cost and lower productivity. Extensive research has been carried out to reduce the production cost by using different waste; however, it is unable to match the commercialization needs. This review focuses on the biosynthetic mechanism of gamma-PGA, its production using the synthetic medium as well as different wastes by L-glutamic acid-dependent and independent microbial strains. Furthermore, various metabolic engineering strategies and the recovery processes for gamma-PGA and their possible applications are discussed. Finally, highlights on the challenges and unique approaches to reduce the production cost and to increase the productivity for commercialization of gamma-PGA are also summarized.
}, keywords = {Commercialization, Multi-nutritious, Poly-gamma-glutamic acid, Waste valorization}, issn = {2190-6815}, doi = {10.1007/s13399-021-01467-0, Early Access Date = APR 2021}, author = {Nair, Pranav and Navale, Govinda R. and Dharne, Mahesh S.} } @article {48919, title = {Polymerizable solvent-free organic liquids: a new approach for large area flexible and foldable luminescent films}, journal = { Angewandte chemie-international editon }, volume = {62}, year = {2023}, month = {AUG}, type = {Article}, abstract = {
The high demand for light-emitting and display devices made luminescent organic materials as attractive candidates. Solvent-free organic liquids are one of the promising emitters among them due to the salient features. However, the inherent limitations of forming sticky and noncurable surfaces must be addressed to become an alternate emitter for large-area device applications. Herein, we functionalized solvent-free organic liquids having monomeric emission in bulk with polymerizable groups to improve the processability. The polymerizable group on carbazole, naphthalene monoimide, and diketopyrrolopyrrole-based solvent-free liquid emitters enabled on-surface polymerization. These emitters alone and in combinations can be directly coated on a glass substrate without the help of solvents. Subsequent photo or thermal polymerization leads to stable, non-sticky, flexible, foldable, and free-standing large-area films with reasonably high quantum yield. Our demonstration of the tunable and white light-emitting films using polymerizable solvent-free liquids might be a potential candidate in flexible/foldable/stretchable electronics. The new concept of polymerizable liquid can be extended to other functional features suitable for futuristic applications.
}, keywords = {Energy Transfer, polymerization, Solvent-Free Organic Liquids, Thin-Film, White Light}, issn = {1433-7851}, doi = {10.1002/anie.202307381}, author = {Wakchaure, Vivek Chandrakant and Veer, Sairam Dnyaneshwar and Nidhankar, Aakash D. and Kumar, Viksit and Narayanan, Aswini and Babu, Sukumaran Santhosh} } @article {48805, title = {Polymerized stimuli-responsive microgels for the removal of organic dye from water}, journal = {Journal of Molecular Liquids}, volume = {375}, year = {2023}, month = {APR }, pages = {121267}, type = {Article}, abstract = {
Polymerized hydrogel materials (PGM) containing uniform-sized stimuli-responsive microgel particles could be promising alternatives for solution-based microgels to remove organic dyes from water. In the current work, PGM is prepared using Poly(N-isopropylacrylamide-co-acrylic acid) based anionic microgels and their ability for uptake and release studies with an oppositely charged dye, methylene blue (MB) is carried out using UV-vis spectroscopy. The mechanism of dye adsorption is understood at a single particle level using light scattering, and zeta potential and the contributions from different molecular interactions among dye molecules and constituting entities of microgels are obtained from molecular docking studies. The maximum dye uptake by PGM is around 80 \% in the swollen state (at pH 7 and 20 degrees C). In contrast, the dye release studies in the deswollen state (at pH 3 and 50 degrees C) show a decrease in the release efficiency from 87 \% to 63 \% of the total dye adsorbed in 4-repeated cycles. The adsorption isotherm follows a sigmoidal (S) model that has been majorly used in different multi-layer adsorption systems. Extensive dynamic and static light scattering studies demonstrate a deswelling of hydrody-namic radius and core-shell radius of microgels at low temperatures (20 degrees C) induced by dye adsorption. At higher temperatures, the dye-adsorbed microgels have a higher hydrodynamic radius than the pure microgels due to the remaining dye molecules within the microgel that do not release even in the deswollen state. Molecular docking studies show that electrostatic interaction dominates between COO- and MB and van der Waals/hydrophobic dominates for MB-NIPAM and MB-COOH docking complex respectively. Our work covering adsorption/desorption properties of the material to the single-particle level can provide a better understanding in formulating reusable smart materials for the remediation of different water pollutants.(c) 2023 Elsevier B.V. All rights reserved.
}, keywords = {dynamic light scattering, Molecular docking, PNIPAM microgels, Removal of organic pollutants, Stimuli -responsive microgels}, issn = {0167-7322}, doi = {10.1016/j.molliq.2023.121267}, author = {Pany, Biswajit and Majundar, Amrito Ghosh and Mohanty, Madhuchhanda and Fyis, K. P. and Dey, Tanima and Tripathy, Gautam and Bhat, Suresh and Yamanaka, Junpei and Mohanty, Priti S.} } @article {48479, title = {Polymorph II of hydroxyurea 150 years after its first synthesis}, journal = {Crystengcomm}, volume = {25}, year = {2023}, month = {MAY}, pages = {2712-2716}, type = {Article}, abstract = {
A new polymorph of hydroxyurea (HU) was crystallized 150 years after its first synthesis. Due to its medicinal use in neoplastic diseases and sickle cell anemia, a high throughput screen of HU binary cocrystals was attempted. Instead of a cocrystal, an isoenergetic form II crystallized concomitantly with urea in methanol.
}, doi = {10.1039/d3ce00163f}, author = {Rai, Sunil K. and Tothadi, Srinu and Arhangelskis, Mihails and George, Christy P. and Gonnade, Rajesh G. and Nangia, Ashwini K.} } @article {48800, title = {Possible handle for broadening the catalysis regime towards low temperatures: proof of concept and mechanistic studies with CO oxidation on surface modified Pd-TiO2}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {AUG }, pages = {22040-22054}, type = {Article}, abstract = {
The present work demonstrates the effect of temperature-dependent surface modification (SM) treatment and its influence in broadening the catalysis regime with Pd-TiO2 catalysts prepared by various methods. Due to SM induced changes, a shift in the onset of CO oxidation activity as well as broadening of the oxidation catalysis regime by 30 to 65 K to lower temperatures is observed compared to the temperature required for virgin counterparts. SM carried out at 523 K for Pd-Photo-TiO2 exhibits the lowest onset (10\% CO2 production - T-10) and T-100 for CO oxidation at 360 and 392 K, respectively, while its virgin counterpart shows T-10 and T-100 at 393 and 433 K, respectively. The SMd Pd-TiO2 catalysts were investigated using X-ray photoelectron spectroscopy (XPS), ultra-violet photoelectron spectroscopy (UPS) and atomic force microscopy (AFM). It is observed that diffusion of atomic oxygen into Pd-subsurfaces leads to SM and changes the nature of the surface significantly. These changes are demonstrated by work function (\& phi;), surface potential, catalytic activity, and correlation among them. UPS results demonstrate the maximum increase in \& phi; by 0.5 eV for Pd-Photo-TiO2 after SM, compared to all other catalysts. XPS study shows a moderate to severe change in the oxidation states of Pd due to atomic oxygen diffusion into the subsurface layers of Pd. Kelvin probe force microscopy (KPFM) study also reveals corroborating evidence that the surface potential increases linearly with increasing temperature deployed for SM up to 523 K, followed by a marginal decrease at 573 K. The \& phi; measured by KPFM and UPS shows a similar trend and correlates well with the changes in catalysis observed. Our results indicate that there is a strong correlation between surface physical and chemical properties, and \& phi; changes could be considered as a global marker for chemical reactivity.
}, issn = {1463-9076}, doi = {10.1039/d3cp01122d}, author = {Mhamane, Nitin B. B. and Panchal, Suresh and Kolekar, Sadhu K. K. and Ranjan, Ravi and Salgaonkar, Kranti N. N. and Burange, Anand S. S. and Nalajala, Naresh and Datar, Suwarna and Gopinath, Chinnakonda S. S.} } @article {49129, title = {Post-refolding stability considerations for optimization of in-vitro refolding: L-asparaginase as a case study}, journal = {Biotechnology Journal }, volume = {18}, year = {2023}, month = {APR}, type = {Article}, abstract = {
BackgroundL-Asparaginase is an essential enzyme for the food and biopharmaceutical industry. The stability, however, of L-asparaginase is widely known to be an issue. Commercial manufacturing of any biopharmaceutical involves hold-ups during processing, and can result in product loss if stability is an issue, as is the case with L-asparaginase. This interplay of product intermediate stability and process design is the focus of this investigation. Methods and ResultsIn this study, we propose a strategy to simultaneously increase the refolding yield and stability of refolded L-asparaginase so as to improve overall process yield. Using one variable at a time (OVAT) experiments, urea (6 M), solubilized inclusion bodies (15 mg/ml), refolding method (step dilution), and pH (8.6) were identified as significant process parameters. A design of experiment (DOE)-based optimization was then performed for the refolding step. The net outcome was more than a three-fold increase in enzyme recovery (i.e., 4.90 IU/ml) compared to unoptimized conditions (i.e., 1.26 IU/ml). Further, the L-asparaginase process intermediate was found to be stable for more than a week at room temperature and 2-8 degrees C, while the unoptimized sample was stable at 2-8 degrees C but did not show any activity at room temperature after 72 h. ConclusionsThe current study elucidates how process intermediate stability needs to be given due consideration during process optimization, particularly for products such as L-asparaginase which are labile.
}, keywords = {design of experiment, L-asparaginase, refolding, stability}, issn = {1860-6768}, doi = {10.1002/biot.202200505}, author = {Mihooliya, Kanti Nandan and Nitika, Nitika and Bhambure, Rahul and Rathore, Anurag S. S.} } @article {48792, title = {Potential of Y. lipolytica epoxide hydrolase for efficient production of enantiopure (R)-1,2-octanediol}, journal = {AMB Express}, volume = {13}, year = {2023}, month = {JUL }, pages = {77}, type = {Article}, abstract = {
The recombinant Yleh from a tropical marine yeast Yarrowia lipolytica NCIM 3589 exhibited a high epoxide hydrolase activity of 9.34 +/- 1.80 mu mol min(-1) mg(-1) protein towards 1,2-epoxyoctane (EO), at pH 8.0 and 30 degrees C. The reaction product was identified as 1,2-Octanediol (OD) by GC-MS using EO and H2O18 as substrate, affirming the functionality of Yleh as an epoxide hydrolase. For EO, the K-m, V-max, and k(cat)/K-m values were 0.43 +/- 0.017 mM, 0.042 +/- 0.003 mM min(-1), and 467.17 +/- 39.43 mM(-1) min(-1), respectively. To optimize the reaction conditions for conversion of racemic EO by Yleh catalyst to enantiopure (R)-1,2-octanediol, initially, Response Surface Methodology was employed. Under optimized reaction conditions of 15 mM EO, 150 mu g purified Yleh at 30 degrees C a maximal diol production of 7.11 mM was attained in a short span of 65 min with a yield of 47.4\%. Green technology using deep eutectic solvents for the hydrophobic substrate (EO) were tested as co-solvents in Yleh catalyzed EO hydrolysis. Choline chloride-Glycerol, produced 9.08 mM OD with an increased OD yield of 60.5\%. Thus, results showed that deep eutectic solvents could be a promising solvent for Yleh-catalyzed reactions making Yleh a potential biocatalyst for the biosynthesis of enantiopure synthons. [GRAPHICS] .
}, keywords = {Deep Eutectic solvents, Optimization, Recombinant epoxide hydrolase, Response surface methodology, Yarrowia lipolytica}, issn = {2191-0855}, doi = {10.1186/s13568-023-01584-1}, author = {Godase, Vijaya P. P. and Kumar, V. Ravi and Kumar, Ameeta Ravi} } @article {48470, title = {Potential role of lewis acid-base adducts in enhancing stereoselectivity in ziegler-natta catalysts: a DFT study}, journal = {Journal of Physical Chemistry C}, volume = {127}, year = {2023}, month = {APR}, pages = {7220-7229}, type = {Article}, abstract = {
Ziegler-Natta (Z-N) systems have been well established as heterogeneous catalysts that produce isotactic polypropylene and polyethylene with great efficiency. Such systems benefit considerably from donors (Lewis bases), whose addition significantly improves the stereoselectivity of polymerization. There is a consensus that the primary role of the external donors is to coordinate at the vacant site created by the extraction of internal donors and thus maintain the stereoselectivity. However, the bite difference between internal donors such as phthalates or succinate derivatives and external donors such as alkoxysilanes raises the question of how external donors can effectively replace internal donors. In order to investigate this, we have chosen four external alkoxysilane donors: (1) diisopropyl dimethoxysilane, (2) dicyclopentyl dimethoxysilane, (3) disec-butyl dimethoxysilane, and (4) sec-butyl(methyl) dimethoxysilane. DFT studies reveal that the bite difference problem can be overcome by the favorable formation of adducts between the alkoxysilane external donors and AlEt2Cl in the Z-N systems. These adducts tend to coordinate in the vicinity of the active site. Furthermore, our findings demonstrate the potential of these Lewis acid-base adducts to enhance the stereoselectivity of Z-N catalysts significantly.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.3c00814}, author = {Raj, K. Vipin and Gupta, Virendra Kumar and Vanka, Kumar} } @article {48312, title = {PPO-ZIF MMMs possessing metal-polymer interactions for propane/ propylene separation}, journal = {Journal of Membrane Science}, volume = {668}, year = {2023}, month = {FEB}, pages = {121208}, type = {Article}, abstract = {
An assertive formation of ZIF-based mixed matrix membranes (MMMs) with polyphenylene oxide (PPO), a high permeability polymer as a host, is presented. The interfacial interactions between the filler particles and polymer matrix are established by DSC and XPS analyses. The ZIF loading could be achieved up to 40\% without hampering the stability of the resulting MMMs. These membranes were evaluated for pure gas permeability, specifically aiming at C3H6/C3H8 separation, a highly desired application in industry. The ZIF-PPO hybrids display promising pure gas as well as mixed gas permeation performance. The 40\% ZIF-8 and ZIF-67 loaded membrane display promising C3H6/C3H8 selectivity of 27.5 and 25, with a permeability of 12 and 13 barrer, respectively. The enhanced selectivity is attributed to the absence of defects eliminated due to metal-polymer interactions. The permeation study of a 30\% ZIF-8 loaded membrane while varying transmembrane pressure and long-time exposure (150 h) of propylene at 60 psi indicated the excellent stability of the membrane. The sorption analysis further confirmed the molecular sieving characteristics of the ZIF@PPO MMMs. The mixed gas permeation performance showed promising results of high permeability as well as maintaining selectivity over a wide range of compositions.
}, keywords = {Interfacial interactions, Mixed matrix membrane, Olefin-paraffin separation, poly(phenyleneoxide), Zeolitic imidazole framework}, issn = {0376-7388}, doi = {10.1016/j.memsci.2022.121208}, author = {Kunjattu, H. Shebeeb and Kharul, Ulhas K.} } @article {49144, title = {Progressions in cathodic catalysts for oxygen reduction and hydrogen evolution in bioelectrochemical systems: Molybdenum as the next-generation catalyst}, journal = {Catalysis Reviews- Science and Engineering}, volume = {65}, year = {2023}, month = {JUL }, pages = {986-1078}, type = {Review}, abstract = {
Oxygen reduction reactions (ORRs) are unanimously a key factor of system performances in bioelectrochemical systems (BESs), low-temperature fuel cells, and generally in several electrochemical platforms. Platinum (Pt)-based catalyst is the finest electrocatalyst for ORR in BESs; however, it is constrained by its low abundance, high price, and poor catalytic durability in an electrochemical setup for cathodic reaction kinetics. In recent years, significant efforts in trimming the metal-based catalyst up to nanoscale to cater high performance of ORR have been explored. Still, there are many opportunities to improve catalyst performance at cathode through proper selection of an efficient low-cost metal-based ORR catalyst. Molybdenum (Mo) with its multi-dimensional form as 2D and 3D layers and synergistic combination with other non-metals offers prospects of extraordinary performance as low-cost metal-based ORR catalyst over the Pt in delivering enhanced ORR potential. The present review throws light on current requirements of a sturdier catalyst material and thus provides a comprehensive review on the continuing efforts in exploring the possibility of Mo as a low-cost metal-based ORR catalyst. This literature analysis would enlighten the significance of ORR in BESs, followed by the electrochemistry of Mo-based cathodic catalyst, its underlying mechanism and performance limiting factors in the operation of ORR. Moreover, the extensive and systematic acumen in the context of Mo-based catalytic formulations for increased ORR potentials including nano-composite Mo-cathode catalyst; development of Mo-catalyst with varied configurations; carbon-supported Mo-catalyst; morphological changes; surface area modifications; and Mo-coupling with other transition metal and its derivatives were discussed in great detail to provide prospective application of Mo-based catalyst. Lastly, numerous opportunities and projections for future research in fabrication, juxtaposition, and implementation of Mo-based cathodic catalysts and consequent recommendations were discussed as conclusive remarks for bringing out the state-of-the-art review on this subject.
}, keywords = {Bioelectrochemical system, catalytic formulations, H-2-evolution reaction, Mo-based cathodic catalyst, multifunctional catalysts, oxygen reduction reaction}, issn = {0161-4940}, doi = {10.1080/01614940.2021.2003085}, author = {Mishra, Puranjan and Sudarsanam, Putla and Mahapatra, Durga Madhab and Elmekawy, Ahamad and Pant, Deepak and Singh, Lakhveer} } @article {48789, title = {Promoting effect of titanium on C-O hydrogenolysis of erythritol to 1,4-butanediol over Pt/W/Ti-SBA-15 catalysts}, journal = {Applied Catalysis A-General}, volume = {666}, year = {2023}, month = {SEP }, pages = {119425}, type = {Article}, abstract = {
The C-O hydrogenolysis of erythritol was investigated using Pt/W/Ti-SBA-15 catalysts (4 wt\% Pt, 1 wt\% W and Si/Ti molar ratio = 50, 33, 20 and 10). Ti-incorporation enhanced the hydrogenolysis activity and the yield of 1,4-butanediol (1,4-BDO). A catalyst with Si/Ti = 20 afforded erythritol conversion of 94 mol\% with 1,4-BDO yield of 32.6 mol\% and total BDOs yield of 51.7 mol\% at 190 degrees C, 50 bar H2 and 12 h. For the catalyst with no titanium (Pt/W/SBA-15), a double the time was required to achieve such yield. There observed electronic connectivity amongst Ti, Pt and W. For the catalyst with Si/Ti = 20, a greater amount of interfacial Pt-O-W(Ti) sites with Pt in + 2 oxidation state was present. The enhanced catalytic performance of these catalysts was corresponded to dispersed Pt (that facilitate hydrogen activation and spillover) and acidic interfacial Pt-O-W sites (that promote the adsorption and hydrogenolysis of erythritol to diols).
}, keywords = {Biomass conversion, Erythritol, Hydrogenolysis, Polyols, Promotional effect of Ti, Terminal diol, Ti-SBA-15-supported Pt/W catalysts}, issn = {0926-860X}, doi = {10.1016/j.apcata.2023.119425}, author = {Bhowmik, Susmita and Akula, Venugopal and Sethia, Govind and Marimuthu, Banu and Darbha, Srinivas} } @article {48324, title = {Pt-anchored-zirconium phosphate nanoplates as high-durable carbon-free oxygen reduction reaction electrocatalyst for PEM fuel cell applications}, journal = {Advanced Sustainable Systems}, volume = {7}, year = {2023}, month = {FEB}, type = {Article}, abstract = {
Commercially available platinum-supported carbon (Pt/C) catalysts are the most widely used oxygen reduction reaction (ORR) electrocatalysts in polymer electrolyte membrane fuel cells (PEMFCs). However, inadequate active triple-phase boundary formation and carbon oxidation in Pt/C during PEMFC operation shorten its lifetime and efficiency. In this direction, a new class of carbon-free electrocatalysts for ORR is prepared by dispersing Pt nanoparticles on ZrP (Zirconium phosphates) nanoplates. In one case (ZrP@Pt), the Pt nanoparticles are found to be closely distributed and completely covering the ZrP nanoplates, whereas in the second case (Pt/ZrP), the Pt nanoparticles selectively restrict dispersion along the edges of the support. ZrP as the support displays an intrinsic proton conductivity of approximate to 0.5 x 10(-4) S cm(-1) at 70 degrees C, with an activation energy (E-a) of 0.19 eV. Pt/ZrP shows better durability after 3000 start-stop cycles. The mass activity of Pt/ZrP is increased by 4.6 times compared to Pt/C, which exhibits a loss in mass activity by 1.37 times. The single-cell level validation of ZrP@Pt, Pt/ZrP, and Pt/C as the electrocatalysts in PEMFC at an operating potential of 0.60 V shows the achievable current densities of 0.600, 0.890, and 0.890 A cm(-2).
}, keywords = {carbon-free electrocatalysts, fuel cells, oxygen reduction reaction, zirconium phosphate}, issn = {2366-7486}, doi = {10.1002/adsu.202200330}, author = {Kumar, Sachin and Yoyakki, Athira and Pandikassala, Ajmal and Soni, Roby and Kurungot, Sreekumar} } @article {48740, title = {Quantum dot (Aun/Agn, n=3-8) capped single lipids: interactions and physicochemical properties}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {AUG}, pages = {22294-22303}, type = {Article}, abstract = {
Realizing the potential of nano-hybrid biomaterials in various applications (nanoprobes to drug delivery), special attention has been devoted towards their synthesis and development. Nonetheless, several questions pertaining to the interface chemistry between the constituent entities (biomolecules and organic/inorganic part) of these hybrids, still remain unresolved. Keeping these unsolved issues in mind, the present theoretical investigation focuses on determining the electronic/physicochemical properties and interactions within gold and silver quantum dot-capped single lipid molecules. Quantum dots of varying sizes and shapes have been chosen and then coupled with lipid molecules (1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC), 1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine (DMPE), 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol, sodium salt (DMPG)), at the choline/glycerol, carboxylate and phosphate site. It has been identified that Au Qds interact strongly as compared to Ag clusters. In addition to the type, the shape and size of the Qd also influences their attachment with lipids. Among various sites, the phosphate site provides a considerably stronger platform for the coupling of Qds. On the other hand, attachment at the choline site leads to significantly lower interaction energies. The trend noted in interaction energies coincides with the structure-electronic property analysis (interatomic bond distances, charge transfer, PO2- stretching frequencies), which further helps in deducing the nature of interactions. The molecular dynamics simulations performed on selected Qd-lipid complexes established that the Qd interacting with lipids at the phosphate site remains fairly stable at room temperature without undergoing fragmentation into individual components. On the other hand, at the choline site, the Qd-to-lipid coupling is unstable and therefore they experience disintegration at 300 K temperature. Additionally, a unique glycerol-to-phosphate site crossover is evidenced, which reaffirms that the phosphate site is selectively preferred by Qds for binding with lipid molecules.
}, issn = {1463-9076}, doi = {10.1039/d3cp01131c}, author = {Maneri, Asma H. H. and Varode, Shruti Suhas and Maibam, Ashakiran and Ranjan, Priyatosh and Krishnamurty, Sailaja and Joshi, Krati} } @article {48703, title = {Radical cascade cyclization of unactivated alkene-tethered indoles with aryldiazonium salt and sodium metabisulfite to access Azo- and Sulfonylated-2,3-Dihyro-1H-pyrrolo[1,2-a]indoles}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {JUN}, pages = {9123-9129}, type = {Article}, abstract = {
A method for the construction ofheterocyclic scaffold2,3-dihyro-1H-pyrrolo[1,2-a]indolesvia arylsulfonylradical-triggered cascade cyclization of unactivated alkene-tetheredindoles in the absence of any external photocatalyst has been developed.This protocol features easily accessible starting materials such assodium metabisulfite and aryldiazonium tetrafluoroborates at roomtemperature and offers good functional group compatibility, enablingthe introduction of various functionalized sulfonyl and azo groupsinto pyrrolo[1,2-a]indoles.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c00759}, author = {Kumar, Pawan and Rai, Archana and Kumar, Manish and Krishna, Gamidi Rama and Das, Utpal} } @article {48718, title = {Rapid bioinspired N-acyliminium ion strategy for the ABC core of the stemona alkaloids}, journal = {Asian Journal of Organic Chemistry}, volume = {12}, year = {2023}, month = {SEP}, type = {Article}, abstract = {
A concise and highly diastereoselective bioinspired key cationic cyclization strategy for the asymmetric synthesis of the tricyclic core of the (-)-stemoamide, together with 8,9-bis-epi-stemoamide has been described. The key N-acyliminium ion precursors were accessed from L-tartaric acid and L-malic acid respectively. The use of ethyl acetoacetate derived bifunctional allylidenetriphenylphosphorane reagent in the early stage of the synthetic strategy is advantageous for the rapid construction of highly functionalized key pyrrolo[1,2-\& alpha;]azepine frameworks.
}, keywords = {alkaloids, Biomimetic synthesis, Claisen rearrangement, cyclization, Regioselectivity}, issn = {2193-5807}, doi = {10.1002/ajoc.202300331}, author = {Chavan, Subhash P. and Kalbhor, Dinesh B. and Gonnade, Rajesh G.} } @article {48289, title = {Reaction pathways and kinetics of N-acetyl-d-glucosamine hydrolysis in sub- and supercritical water}, journal = {New Journal of Chemistry}, volume = {8}, year = {2023}, month = {MAY }, pages = {1097-1108}, type = {Article}, abstract = {
Subcritical and supercritical water hydrolysis of N-acetyl-d-glucosamine (NAG) to value-added chemicals has been studied in detail. Experiments were carried out using a continuous flow reactor by varying temperature (250-400 degrees C), pressure (5-25 MPa) and residence time (2-60 s). A wide product distribution was obtained during the reactions, including solid, liquid and gaseous compounds, sensitive to the state of water: sub- or supercritical. Subcritical conditions promoted the formation of solid compounds, whereas gasification was favored in supercritical water. The prominent products present in the liquid fraction were glycolic acid, acetic acid, formic acid, 5-HMF and acetamide. The formation of a few distinct nitrogen-containing heterocyclic compounds was observed only in supercritical water. Following instantaneous deacetylation of NAG, several oxidation, reduction and secondary reactions occur during hydrolysis of NAG in subcritical and supercritical water. A kinetic model for the prediction of yields of acetic acid, glycolic acid and formic acid is developed. The network of reactions showed specifc deviations from conventional understanding. The current findings show that it is possible to develop a suitable process to make a set of value-added chemicals from chitinous biomass.
}, issn = {2058-9883}, doi = {10.1039/d3re00046j}, author = {Kulkarni, Sphurti P. P. and Joshi, Sunil S. S. and Kulkarni, Amol A. A.} } @article {48782, title = {Recyclable Pd nanoparticles immobilized on amine functionalized LDH for the Suzuki-Miyaura cross-coupling reaction}, journal = {Chemical Papers}, volume = {77}, year = {2023}, month = {SEP}, pages = {5555-5569}, type = {Article}, abstract = {
In the present work, we invented a Pd nanoparticle immobilized on an amine-functionalized LDH catalyst (PdNP@NH2LDH-Al-MCM-41) for cross-coupling reactions. The palladium was grafted onto the support by treating the Pd(OAc)(2) with NH2-LDH-Al-MCM-41 in acetone at room temperature. The prepared catalyst was characterized by FT-IR, SEM, TGA, TEM, and XPS techniques. The TEM characterization of the catalyst showed the uniform distribution of PdNPs with sizes ranging from 3 to 6 nm located inside the mesoporous. The Suzuki-Miyaura cross-coupling reaction was used to demonstrate the catalytic efficiency of the prepared PdNPs@NH2-LDH-Al-MCM-41 catalyst. The prepared and analyzed catalyst showed good to excellent activity in the Suzuki-Miyaura cross-coupling reaction of various aryl bromides with different aryl boronic acids in ethanol at 80 degrees C. The catalyst showed TON up to similar to 47 and TOF similar to 47 h(-1). The catalytic results exhibited that the catalyst is completely recoverable with simple filtration. The catalytic efficiency shows a slight decrease in activity for the Suzuki-Miyaura cross-coupling reactions even after five repeated recycles. TEM images of the freshly prepared and reused catalysts (after five catalytic cycles) showed palladium nanoparticles remain unchanged at the end of the reactions. [GRAPHICS] .
}, keywords = {LDH, PdNPs, Recyclability, Suzuki-Miyaura coupling}, issn = {0366-6352}, doi = {10.1007/s11696-023-02885-2}, author = {Patil, Seema P. P. and Jadhav, Sanjay N. N. and Inamdar, Firoz A. A. and Ameen, Mohd Aatif and Rode, Chandrashekhar V. V. and Rajmane, Archana S. S. and Kumbhar, Arjun S. S.} } @article {48955, title = {Regioselective synthesis of benzannulated [5,6]-oxaspirolactones via Cu(II)-catalyzed cycloisomerization of 2-(5-Hydroxyalkynyl)benzoates}, journal = {Journal of Organic Chemistry }, volume = {88}, year = {2023}, month = {NOV}, pages = {16915-16933}, type = {Article}, abstract = {
Spiroketals and oxaspirolactones are widely found in biologically active natural products, serving as important structural motifs. In this study, we present a Cu-(II)-catalyzed cascade cycloisomerization of 2-(5-hydroxyalkynyl)-benzoates, enabling the regioselective synthesis of benzannulated [5,6]-oxaspirolactones containing an isochromen-1-one moiety. This strategy offers a rapid and efficient approach to access a diverse array of benzannulated [5,6]-oxaspirolactones. The methodology presented here showcases a broad substrate scope, delivering good yields and scalability up to gram scale. The structures of the oxaspirolactones were unequivocally confirmed through single-crystal X-ray analysis and by analogy using H-1 and C-13-{H-1} NMR data.
}, keywords = {Construction, Isocumarins, Strategies}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c01751}, author = {Thorat, Sagar S. and Shimpi, Sagar P. and Sambherao, Pooja I. and Krishna, Gamidi Rama and Kontham, Ravindar} } @article {48763, title = {Regulation of trehalose metabolism in insects: from genes to the metabolite window}, journal = {Glycobiology}, volume = {33}, year = {2023}, month = {MAY }, pages = {262-273}, type = {Review}, abstract = {
Trehalose is a major circulatory sugar in the haemolymph of insects. It provides instant energy and protection against stress. Trehalose metabolism is associated with insect growth and development. The architecture and spatio-temporal expression dynamics of trehalose metabolism and transport genes are key for regulation. These genes are controlled by various transcription factors, largely linked to nutrition, insect development, and metamorphosis. Also, trehalose levels are affected by substrate affinities and modifications of enzymes involved in the pathway. A feedback mechanism involving the precursors and products can regulate trehalose metabolism. Further, the neuroendocrine system controls trehalose levels under normal and stressed conditions by producing different hormones. Hypotrehalosemic hormones work under surplus energy conditions to activate haemolymph trehalose uptake and degradation. In contrast, hypertrehalosemic hormones stimulate trehalose production in the fat body and its transport to the haemolymph. However, trehalose metabolism regulation in insects needs to be studied in detail. This review discusses aspects of trehalose synthesis, transport, and degradation dynamics in developmental transition and stress response. Unraveling the epigenetic factors, transcriptional control and chemical or genetic modulators can provide further insights into the intricate regulation of trehalose in a development- and tissue-specific manner. This molecular information about effectors and regulators of trehalose metabolism can be applied in developing diverse biotechnological applications.
}, keywords = {Hormone, Insect development, Metabolic regulation, Stress, trehalose}, issn = {0959-6658}, doi = {10.1093/glycob/cwad011}, author = {Tellis, Meenakshi B. and Kotkar, Hemlata M. and Joshi, Rakesh S.} } @article {48334, title = {Relativistic coupled-cluster study of SrF for low-energy precision tests of fundamental physics}, journal = {Theoretical Chemistry Accounts}, volume = {142}, year = {2023}, month = {FEB}, pages = {15}, type = {Article}, abstract = {
SrF, being a laser-coolable molecule, can be an interesting system for spectroscopic tests of fundamental physics. We present an electronic structure study of this molecule within the four-component relativistic coupled-cluster singles and doubles (RCCSD) framework and employ the RCCSD-based methods to compute its molecular-frame dipole moment and core properties such as hyperfine structure coupling constant and molecular P, T-odd electronic structure parameters that are of great importance for the high-precision tests of fundamental physics. The impact of basis set size, Hamiltonian and nuclear model on the property calculation of SrF is also investigated. The computed results are in good agreement with the available experimental values. The present study shows that the SrF molecule could be useful for high-precision molecular experiments to explore physics beyond the Standard Model of elementary particles.
}, keywords = {Coupled cluster theory, CP violation, Hyperfine structure, Molecular spectroscopy, Relativistic effects}, issn = {1432-881X}, doi = {10.1007/s00214-023-02953-6}, author = {Talukdar, Kaushik and Buragohain, Haimyapriya and Nayak, Malaya K. K. and Vaval, Nayana and Pal, Sourav} } @article {49143, title = {Repurposing small molecules of Tephrosia purpurea against SARS-CoV-2 main protease}, journal = {Journal of Biomolecular Structure and Dynamics}, volume = {41}, year = {2023}, month = {SEP}, pages = {6822-6833}, type = {Article}, abstract = {
Coronavirus infection is a communicable disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) which emerged as a global pandemic with deteriorating effect on the world{\textquoteright}s population. Main protease (M-pro) of SARS-CoV-2 plays a significant role in the viral replication, transcription and disease propagation as well as a potential candidate for drug discovery and development for COVID-19 infection. The current study employed state of art structure-based drug discovery to decipher the role of phytochemicals of Tephrosia purpurea against M-pro. Tephrosia purpurea is being used as a traditional medicinal plant for the treatment of cough, breathlessness and fever as per the Indian Materia Medica. Screening of the phytochemicals of Tephrosia purpurea against M-pro was performed using molecular docking approach to identify the top 5 hits (+)-tephrorin B, deguelin, vitamin p, lanceolarin and 3beta-hydroxy-20(29)-lupene with binding energy of -8.4, -8.1, -8.0, -7.8, and -7.8 kcal/mol, respectively. Furthermore, identified top 5 hits were subjected to drug-likeness and toxicity prediction as well as MM-GBSA calculation. Out of the five molecules four molecules were predicted not to comprise any mutagenic and carcinogenic effects. Top two molecules based on the drug-likeness properties for oral bio-availability were further analysed by molecular dynamics simulation at 100 ns timescale. It was observed from the dynamic behaviour of the two complexes that the addition of these molecules changed the conformation and stability of the apo protein; thus may act as inhibitors for M-pro. Communicated by Ramaswamy H. Sarma
}, keywords = {molecular dynamics, SARS-CoV-2, Tephrosia purpurea}, issn = {0739-1102}, doi = {10.1080/07391102.2022.2112616}, author = {Sahoo, Rosaleen and Sahu, Parameswar and Swargam, Sandeep and Kumari, Indu and Behera, Banshidhar} } @article {48814, title = {Response of cardiac pulse parameters in humans at various inclinations via 360{\textdegree} rotating platform for simulated microgravity perspective}, journal = {NPJ Microgravity}, volume = {9}, year = {2023}, month = {JUL}, pages = {54}, type = {Article}, abstract = {
On the Earth, the human body is designed and adapted to function under uniform gravitational acceleration. However, exposure to microgravity or weightlessness as experienced by astronauts in space causes significant alterations in the functioning of the human cardiovascular system. Due to limitations in using real microgravity platforms, researchers opted for various ground-based microgravity analogs including head-down tilt (HDT) at fixed inclination. However, in the present study, an investigation of response of various cardiac parameters and their circulatory adaptation in 18 healthy male subjects was undertaken by using an indigenously developed 360 \& DEG; rotating platform. Cardiac pulse was recorded from 0 \& DEG; to 360 \& DEG; in steps of 30 \& DEG; inclination using piezoelectric pulse sensor (MLT1010) and associated cardiac parameters were analyzed. The results showed significant changes in the pulse shape while an interesting oscillating pattern was observed in associated cardiac parameters when rotated from 0 \& DEG; to 360 \& DEG;. The response of cardiac parameters became normal after returning to supine posture indicating the ability of the cardiovascular system to reversibly adapt to the postural changes. The observed changes in cardiac parameters at an inclination of 270 \& DEG;, in particular, were found to be comparable with spaceflight studies. Based on the obtained results and the proposed extended version of fluid redistribution mechanism, we herewith hypothesize that the rotation of a subject to head down tilt inclination (270 \& DEG;) along with other inclinations could represent a better microgravity analog for understanding the cumulative cardiac response of astronauts in space, particularly for short duration space missions.
}, doi = {10.1038/s41526-023-00301-3}, author = {Jagtap, Sagar and Kumar, Ajay and Mahale, Bhoopesh and Dixit, Jyotsana and Kalange, Ashok E. and Kanawade, Rajesh and Gangal, Shashikala and Vidyasagar, Pandit} } @article {48751, title = {Review on catalytic hydrogenation of biomass-derived furfural to furfuryl alcohol: recent advances and future trends}, journal = {Energy \& Fuels}, volume = {37}, year = {2023}, month = {JUL}, pages = {11475-11496}, type = {Review}, abstract = {
Biomass is one of the highly abundantrenewable resourcesavailablethat can be converted into several high-value-added products, includingchemicals, biofuels, and advanced materials. To achieve net-zero emissionsand improve biomass application, researchers around the world haverecently focused on expanding biomass processing techniques to value-addedproducts with the eventual goal of industrializing some of the products.In this review, we summarize lignocellulosic biomass derived furfural(FA) and its subsequent hydrogenation to furfuryl alcohol (FAL). Thiswork reviews the various types of hydrogenation catalysts and theirutility in the production of value-added products from FA. There willbe an increase in the demand for selective catalysts and process technologies,as well as an increase in the challenges during valorization, as theusage of biomass to achieve carbon neutrality increases. The reviewaims to provide a concise overview of the advancements in this fieldand the potential for sustainable FAL production. In this paper, wepresent a simple strategy for selecting catalyst systems and associatedprocess parameters that facilitate the highly efficient and selectivevalorization of FA to chemicals or fuel (bioadditives) for industrialuse.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.3c01174}, author = {Racha, Arundhathi and Samanta, Chanchal and Sreekantan, Sreejith and Marimuthu, Banu} } @article {48438, title = {Review on electrospun nanofibers for multiple biomedical applications}, journal = {Polymers for Advanced Technologies}, volume = {34}, year = {2023}, month = {JAN}, pages = {44-63}, type = {Review}, abstract = {
Electrospinning is a well-known technique since 1544 to fabricate nanofibers using different materials like polymers, metals oxides, proteins, and many more. In recent years, electrospinning has become the most popular technique for manufacturing nanofibers due to its ease of use and economic viability. Nanofibers have remarkable properties like high surface-to-volume ratio, variable pore size distribution (10-100 nm), high porosity, low density, and are suitable for surface functionalization. Therefore, electrospun nanofibers have been utilized for numerous applications in the pharmaceutical and biomedical field like tissue engineering, scaffolds, grafts, drug delivery, and so on. In this review article, we will be focusing on the versatility, current scenario, and future endeavors of electrospun nanofibers for various biomedical applications. This review discusses the properties of nanofibers, the background of the electrospinning technique, and its emergence in chronological order. It also covers the various types of electrospinning methods and their mechanism, further elaborating the factors affecting the properties of nanofibers, and applications in tissue engineering, drug delivery, nanofibers as biosensor, skin cancer treatment, and magnetic nanofibers.
}, keywords = {biomaterial, drug delivery, electrospinning, Nanofiber, tissue engineering}, issn = {1042-7147}, doi = {10.1002/pat.5896}, author = {Patel, Pratikshkumar R. and Gundloori, Rathna Venkata Naga} } @article {48925, title = {Rh-catalyzed asymmetric hydroformylation of olefins using phosphorus ligands}, journal = {Journal of chemical sciences }, volume = {135}, year = {2023}, month = {NOV }, pages = {108}, type = {Article}, abstract = {
Easily accessible BINOL-based monodentate phosphite ligand L1 and hybrid ligand L2 have been synthesized in good yield by following a one-pot, two-step protocol. A single 31P resonance at 146.6 ppm confirmed the formation of L1. Subsequent 1-2D NMR and mass spectrometric analysis authenticated the existence of L1. These ligands afforded excellent activity and regio-selectivity in the Rh-catalyzed AHF of styrenic substrates. L1 showed excellent regioselectivity but did not discriminate between the two enantiomers, while L2 displayed an enantiomeric excess (ee) of up to 20\%. In our attempts to understand the reasons for low ee, the coordination behavior of L2 was investigated. The coordination study revealed that L2 coordinates with the Rh as a monodentate ligand, although there are two P-sites. It was found that only the phosphine arm was coordinated to the Rh and the phosphite arm stayed away from the Rh core at the ambient temperature, leading to moderate ee.Graphical abstractOne-step synthesis of a phosphite (L1) and a phosphine-phosphite (L2) ligand and their implication in the asymmetric hydroformylation of olefins with excellent regioselectivity (\>95\%) and moderate enantioselectivity (up to 20\%) is reported.
}, keywords = {catalysis, coordination, Hydroformylation, Phosphine-phosphite ligand, Phosphite ligand}, issn = {0974-3626}, doi = {10.1007/s12039-023-02227-5}, author = {Kumar, Rohit and Sen, Anirban and Chikkali, Samir H.} } @article {48677, title = {Rh-catalyzed C-H functionalization of the (Pyrazol-5-yl)pyridine core of GBT-440}, journal = {Synthesis-Stuttgart}, volume = {55}, year = {2023}, month = {NOV }, pages = {3600-3609}, type = {Article}, abstract = {
The Rh-catalyzed cross dehydrogenative coupling (CDC)/alkylation of the pyrazolylpyridine unit of GBT-440 proceeded smoothly under ambient conditions and selectively on the pyrazole unit while directed by the pyridine. The scope of these reactions was established by employing simple as well as conjugated olefins for CDC and various diazo esters and the TIPS-EBX reagent for alkylation. At the outset, a focused small molecule library around the bis-heterocyclic core of GBT440 was developed via C-H functionalization.
}, keywords = {C-H activation, cross dehydrogenative coupling, diazo ester, GBT-440, Rh catalysis, TIPS-EBX}, issn = {0039-7881}, doi = {10.1055/a-2116-6734}, author = {Kalshetti, Rupali G. and Halnor, Swapnil V. and Ramana, Chepuri V.} } @article {48310, title = {Rheology and processing study on controlling material and process defects in polymer melt extrusion film casting using polymer blends}, journal = {Journal of Plastic Film \& Sheeting}, volume = {39}, year = {2023}, month = {APR}, pages = {211-240}, type = {Article}, abstract = {
The primary objective of this research paper is to control the material and process defects in polymer melt extrusion film casting (EFC) process for linear chain architecture polyethylene (PE) resins through polymer blending methodology. Extrusion film casting is a well-known industrially important manufacturing process that is used to manufacture thousands of tons of polymer/plastic films/sheets and coated products. In this research, the necking defect in an EFC process has been studied experimentally for a linear low density polyethylene (LLDPE) resin and attempts have been made to control its necking by blending in a long chain branched (LCB) low density polyethylene (LDPE) resin. The blending methodology is based on the understanding that a LDPE resin displays enhanced resistance to necking as compared to the LLDPE resin. It is found that added LDPE resin enhances necking resistance for the primary LLDPE resin. Further, as the LDPE concentration increases in the blend formulation, the necking is further reduced as compared to pure LLDPE. Analogous to past studies on EFC of linear and long chain branched architecture containing PEs, it is observed that as the LDPE is increased in the blend formulations, the formulations displayed enhanced melt elasticity and extensional strain hardening in rheological studies. It is concluded from this study that polyethylene resins having linear chain architecture can be made amenable to enhanced resistance to necking using appropriate amount of a long chain branched resins. Finally, process defects such as the draw resonance onset could be shifted to higher draw ratios as the LDPE level is increased in the LLDPE-LDPE blend formulation.
}, keywords = {Draw resonance, Extrusion, Film, linear chain, long-chain branched, melt elasticity, Necking, onset, strain hardening}, issn = {8756-0879}, doi = {10.1177/87560879221150764}, author = {Rokade, Dhammaraj and Patil, Prashant and Nandimath, Sheetal and Pol, Harshawardhan} } @article {48973, title = {Rhizospheric bacillus spp. exhibit miticidal efficacy against oligonychus coffeae (Acari: Tetranychidae) of tea}, journal = {Microorganisms}, volume = {11}, year = {2023}, month = {NOV}, pages = {2691}, type = {Article}, abstract = {
Oligonychus coffeae (Acari: Tetranychidae), popularly known as red spider mite (RSM) is one of the major pests of commercial tea (Camellia sinensis (L.) O. Kuntze) plantation world over. Many attempts have been made in the past to control this devastating pest using a variety of microbial bioagents, however, area-wise field success is very limited. We carried out an in vitro study to explore the potential of rhizospheric Bacillus spp. (B. amyloliquefaciens BAC1, B. subtilis LB22, and B. velezensis AB22) against O. coffeae through adulticidal and ovicidal activity. The 100\% adult and egg mortality was observed with bacterial suspension (1 x 10(9 )CFU/mL) by B. velezensis AB22, showing the lowest LC50 values for both adults and eggs of O. coffeae, i.e., 0.28 x 10(5) and 0.29 x 10(5), respectively. The study also throws some insights into the underlying mechanism through electron microscopy study and identification of some putative pesticidal metabolites from all the species. The three Bacillus species were observed to have four commonly secreted putative bioactive secondary metabolites, brevianamide A, heptadecanoic acid, thiolutin, and versimide responsible for their bio-efficacy against O. coffeae. The outcome of our study provides a strong possibility of introducing Bacillus spp. as a biological miticide and developing synthetic metabolites mimicking the mechanistic pathway involved in microbial bioefficacy.
}, keywords = {Bacillus spp., Biocontrol, organic tea, Secondary metabolites}, doi = {10.3390/microorganisms11112691}, author = {Bora, Popy and Gogoi, Sukanya and Deshpande, Mukund Vinayak and Garg, Pankaj and Bhuyan, Rana P. and Altaf, Nilofar and Saha, Nikita and Borah, Sapna Mayuri and Phukon, Mousumi and Tanti, Nabajit and Saikia, Bishal and Ahmed, Shenaz Sultana and Borah, Sanjib Ranjan and Dutta, Ashish and Sarmah, Bidyut Kumar} } @article {48472, title = {Rivaroxaban eutectics with improved solubility, dissolution rates, bioavailability and stability}, journal = {Crystengcomm}, volume = {25}, year = {2023}, month = {JUN }, pages = {3253-3263}, type = {Article}, abstract = {
Rivaroxaban (RXB) is a direct factor Xa inhibitor used for the treatment of deep vein thrombosis (DVT, a blood clot in the leg) and pulmonary embolism (PE, a blood clot in the lung) and to prevent blood clots in atrial fibrillation following hip or knee surgery. However, RXB suffers from poor solubility that hinders its broader application. Although its cocrystals are reported for solubility enhancement, the methodology used to prepare multi-component crystals is complex. Also, it uses hazardous solvents to develop cocrystals. We have prepared eutectics of RXB with caffeic acid (CAA), coumaric acid (CA), fumaric acid (FA), succinic acid (SA), mandelic acid (MA) and trimesic acid (TA) and analyzed them using hot stage microscopy (HSM), differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), and fourier transform infrared spectroscopy (FTIR) techniques. The saturation solubility and dissolution rate profiles were also obtained to investigate the effect of eutectics on these parameters. Amongst all the coformers tested, coformers CAA, CA, and FA showed significant enhancement in the solubility of RXB. The powder dissolution rate of the eutectics showed considerable enhancement compared to that of RXB. In vivo pharmacokinetic study was carried out for RXB-CAA, RXB-CA and RXB-FA in rats and compared with RXB, which showed 1.5 and 1.4 times enhancement in relative bioavailability for RXB-CAA and RXB-CA, respectively. Stability studies were carried out as per ICH guidelines for all the eutectics, which revealed excellent stability over six months under accelerated (40 degrees C and 75\%) conditions and twelve months under long-term (30 degrees C and 60\% RH) conditions. The DFT studies carried out using the B3LYP/TZVP level of theory revealed higher Gibbs free interaction energy (Delta G(int)) for homosynthons (drugMIDLINE HORIZONTAL ELLIPSISdrug and coformerMIDLINE HORIZONTAL ELLIPSIScoformer) than heterosynthons (drugMIDLINE HORIZONTAL ELLIPSIScoformer).
}, doi = {10.1039/d3ce00261f}, author = {Shaligram, Parth S. and George, Christy P. and Sharma, Himanshu and Mahadik, Kakasaheb R. and Patil, Sharvil and Vanka, Kumar and Arulmozhi, S. and Gonnade, Rajesh G.} } @article {48287, title = {Robust optimization and characterization of MCM-41 nanoparticle synthesis using modified sol-gel method}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {MAR}, pages = {e202204968}, type = {Article}, abstract = {
Mesoporous silica nanoparticles (MSN) for drug delivery application requires great expertise to synthesize small sized monodisperse particles. We aimed at synthesizing and optimizing MCM-41 particles with the modified Stober{\textquoteright}s method by adjusting factors such as concentrations of cetyltrimethylammonium bromide (CTAB), sodium hydroxide (NaOH) and water (H2O) with respect to tetraethyl orthosilicate (TEOS), and a process parameter (stirring). We comprehended that the reactants determined the shape and size of both the particles and pores. Upon extensive characterization we report the synthesis of spherical particles of similar to 70 nm size in a monodisperse population; the structures had hexagonal ordered pores of diameter 3.071 nm and volume 3.124 cm(3)/g; the total surface area of 3410.648 m(2)/g of the particles was covered with silanol groups that aid in functionalization; the particles exhibited great thermal stability. Thus, the extensive optimization fabricated robust MCM-41 particles fit for drug delivery application.
}, keywords = {characterization technique, dynamic light scattering (DLS), mesoporous materials, Nanoparticles, sol gel processes}, issn = {2365-6549}, doi = {10.1002/slct.202204968}, author = {Shende, Rajnigandha A. and Chaudhari, Bhushan P.} } @article {49006, title = {Robust zeolitic tetrazole framework for electrocatalytic dopamine detection with high selectivity}, journal = {Inorganic Chemistry}, volume = {62}, year = {2023}, month = {NOV }, pages = {20236-20241}, type = {Article}, abstract = {
A novel zeolitic tetrazolate framework (ZTF-8) has been synthesized by solvent-free heat-assisted (70 C-degrees) mechanochemical grinding of zinc acetate and 5-methyl tetrazole in the presence of NaOH powder. The structure of ZTF-8 adopts the zeolitic sodalite (SOD) topology with uncoordinated N-heteroatom sites and resembles the structure of the well-known zeolitic imidazole framework ZIF-8. ZTF-8 is exceptionally stable in 0.1 M aqueous acid and base solutions for 60 days at 25 C-degrees. The unique structure with uncoordinated N-heteroatom active sites and exceptional stability of ZTF-8 facilitated the electrocatalytic oxidation of dopamine to dopamine quinone at neutral pH. Without any postsynthetic modification, ZTF-8 is directly used for the facile electrochemical detection of dopamine over a wide range of concentrations (5-550 mu M) with a high sensitivity (2410.8 mu A mM-1 cm-2). It also demonstrated promising selectivity over other interferents of similar oxidation potential, such as ascorbic acid and uric acid. The DFT study revealed that the ZTF-8 framework has a higher binding energy (-145.07 kJ/mol) and stronger interaction with dopamine than its isostructural ZIF-8 structure (-130.42 kJ/mol).
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.3c03189}, author = {Sarfudeen, Shafeeq and Sruthi, Vadakke Purakkal and Maibam, Ashakiran and Panda, Premchand and Jhariat, Pampa and Senthilkumar, Sellappan and BabaRao, Ravichandar and Panda, Tamas} } @article {48478, title = {Role of ions and their transporters in combating salt stress in Pandanus odorifer (Forssk.) Kuntze}, journal = {Acta Physiologiae Plantarum}, volume = {45}, year = {2023}, month = {MAY}, pages = {66}, type = {Article}, abstract = {
Soil salinity is a major environmental constraint causing huge losses in crop production. Pandanus odorifer (Forssk.) Kuntze is an aromatic monocot plant species belonging to the family Pandanaceae, which grows naturally on the saline soils along the coasts of Asia, Southeast Asia, and Polynesia. The plants are dioecious and highly fertile, and the consistent saline sprays, strong winds, and severe soil salinity hardly affect their growth and fertility. Hence, understanding the mechanism of high salinity tolerance in P. odorifer could provide major advances in overcoming salinity stress in crop plants. In the present study, we analyzed control (0 M NaCl) and treated (1 M NaCl treatment for 3 weeks) plants of P. odorifer to understand the role of ion distribution, ion transport, and related mechanisms under salt stress. Using a combination of ionomics and transcriptomics approaches, we identified the molecular mechanisms contributing to the high salinity stress in P. odorifer. Under NaCl stress, there was a significant increase in Na, Cl, and other ions in leaves, while the concentrations of Si, Fe, Ni, and Ti decreased. Similarly, in roots, the levels of Na, Mg, Cd, and Cr were significantly high, while the levels of other ions decreased. Most of the genes related to ion transport and homeostasis, such as NHX1, CLC-C, SOS1, HAK, and ABC transporters, were upregulated in 1 M NaCl stress conditions. This study revealed that vacuolar sequestration of Na+ and the distribution of ions in the roots and shoots play significant roles in the salt-stress tolerance mechanism of P. odorifer.
}, keywords = {Ion transport, Ionomics, Pandanus, Salinity tolerance, Transcriptomics, Vacuolar sequestration}, issn = {0137-5881}, doi = {10.1007/s11738-023-03541-8}, author = {Rashmi, Deo and Ansari, Waquar A. and Kadoo, Narendra Y. and Barvkar, Vitthal T. and Deshmukh, Rupesh and Nadaf, Altafhusain B.} } @article {48333, title = {Salicylaldehydate coordinated two-dimensional-conjugated metal-organic frameworks}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {FEB }, pages = {2608-2611}, type = {Article}, abstract = {
A novel class of copper-based 2D-c-MOF was synthesized from 1,3,5-triformylphloroglucinol using green mechano-chemistry. Herein, metal coordination with the salicylaldehyde functional moiety was explored for the first time in MOFs. Moreover, an intrinsic semiconductive copper-based SA-MOF thin film was fabricated using an in situ salt-free method at room temperature.
}, issn = {1359-7345}, doi = {10.1039/d2cc06283f}, author = {Mohammed, Abdul Khayum and Pena-Sanchez, Pilar and Pandikassala, Ajmal and Gaber, Safa and AlKhoori, Ayesha A. and Skorjanc, Tina and Polychronopoulou, Kyriaki and Kurungot, Sreekumar and Gandara, Felipe and Shetty, Dinesh} } @article {48462, title = {Scalable optical fiber reactor for photocatalytic H2 production: addressing scattering issues}, journal = {International Journal of Hydrogen Energy}, volume = {48}, year = {2023}, month = {MAY}, pages = {17086-17096}, type = {Article}, abstract = {
Scattering is one of the main challenges in scaling up photocatalytic water splitting using the most prevalent powder catalysts. This can be overcome by decoupling the reaction medium from light transmission, as in the case of optical fibers. Here we explore utilizing optical fibers coated with 5 wt\% CuO supported on TiO2 for photocatlytic H2 production from water-methanol mixtures. CuO/TiO2 is a well studied photo catalyst in which photoreduced Cu species are known to act as sensitizers for inducing visible light activity. Lower activity of sequentially coated systems indicates that appropriate interfaces of active Cu and TiO2 with water are desirable. The scalability of such optical fiber-based systems along with potential in non-potable turbid water media are demonstrated. Maximum activity of 22 mmoles of H2 in 8 h was obtained with 50 mg of catalyst coated on optical fibers, which increases linearly with increase in fiber numbers, whereas, drastic reduction in activity is observed in powder catalyst upon increasing the catalyst quantity. A one-to-one comparison of 700 mg of catalyst in powder form and coated on optical fibers indicates more than one order enhancement in activity in the optical fiber based system. In addition, -70\% retention in activity in highly turbid non-potable water was observed as compared to powdered system which shows complete reduction in the activity by 99.99\%. (c) 2023 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {CuO, Optical fibers, photocatalytic water splitting, TiO2, Total internal reflection, Visible light utilisation}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2023.01.148}, author = {Walko, Priyanka S. and Devi, R. Nandini} } @article {48683, title = {Scalable synthesis of dodecanethiol-capped bismuth nanoparticles by a solvent-free solid-state grinding method for reduction of 4-nitrophenol to 4-aminophenol}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {Aug}, pages = {11888-11897}, type = {Article}, abstract = {
Thiol-capped metal nanoparticles have two constituents:an inorganicmetal and an organic molecule as a shell. Both characters are inbuiltin the structure of the metal thiolate. Herein, we have investigatedbismuth dodecanethiolate as a precursor for the synthesis of dodecanethiol-cappedbismuth nanoparticles (Bi NPs) by a solid-state grinding method. Byusing sodium borohydride and bismuth dodecanethiolate, crystallinebismuth nanoparticles are synthesized in a solvent-free environmentat room temperature (24 \& PLUSMN; 4 \& DEG;C). Bi NPs are tested for catalyticactivity by reducing 4-nitrophenol (4-NP) to 4-aminophenol (4-AP)with an excess of NaBH4. Dodecanethiol-capped bismuth nanoparticlesexhibit an efficient reduction of 4-NP to 4-AP within 12 min. Additionally,these nanoparticles remain catalytically active for up to three cycles.
}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c01694}, author = {Singh, Dinesh and Poddar, Pankaj} } @article {48764, title = {Scalable synthesis of silacyclohexanones and ready access to silicon building blocks}, journal = {Organic Letters}, volume = {25}, year = {2023}, month = {SEP }, pages = {6881-6885}, type = {Article}, abstract = {
A simple and efficient two-step method for the synthesis of silacyclohexanones starting from bis(bromoethylsilanes) using TosMIC is presented. The prepared silacyclohexanones were transformed to nine different heterocycles with silicon incorporation. In addition, the developed methodology was used for the synthesis of a sila analogue of the HDAC6 inhibitor tubastatin A.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.3c02561}, author = {Ramesh, Eagala and Nandawadekar, Laxman D. and Rao, Ramana Sreenivasa and Reddy, D. Srinivasa} } @article {48780, title = {Seasonal dynamics and tree foliar habit drive the rhizobacterial diversity in congeneric Ficus species from Northern Western Ghats, India}, journal = {Rhizosphere}, volume = {28}, year = {2023}, month = {DEC}, pages = {100790}, type = {Article}, abstract = {
Tree species, annual climatic cycle, and geochemical properties influence the tree rhizospheric microbiome. However, its understanding in the moist deciduous forest of Northern Western Ghats (NWG), India, is limited. Moreover, the effects of foliar habits of trees and seasonal variations on rhizobacterial communities across congeneric tree species are unexplored. Hence, we employed high throughput 16 S rRNA gene sequencing to examine the effects of foliar habits of congeneric tree species and seasonal influences on the rhizobacterial community. For this study, rhizospheric soil from Ficus arnottiana (deciduous) and Ficus talboti (evergreen) trees from NWG, India, was collected during three seasons (summer, monsoon, and winter) and subjected to high throughput sequencing. A total of 3031 amplicon sequence variants (ASV) were observed, of which 1257 and 1181 ASV were unique to F. arnottiana and F. talboti, respectively, and 593 ASV were common to both species. The phyla Actinobacteria, Proteobacteria, Acidobacteria, and Chloroflexi were ubiquitous and contributed \>90\% to the rhizobacterial community. Some bacterial phyla were exclusively associated with either of the tree species and seasons. Different bacterial phyla performed similar functions in different seasons, indicating their functional redundancy and emphasizing their resilience and adaptability across seasons. It was observed that seasonal dynamics mainly drove the rhizobacterial diversity; however, it was also influenced by the foliar habits of the trees and geochemical properties. The study enhances the understanding of congeneric tree microbiomes and offers valuable insights into their potential applications through microbiome engineering.
}, keywords = {Amplicon variants, Bacterial diversity, Ficus arnottiana, Ficus talboti, Rhizosphere}, doi = {10.1016/j.rhisph.2023.100790}, author = {Salunkhe, Vaishnavi H. and Kunte, Pooja S. and Paul, Dhiraj and Kasodekar, Amol K. and Kadoo, Narendra Y.} } @article {48273, title = {Selective and generic photocatalytic oxidation of alcohol with Pd-TiO2 thin films: butanols to butanal/butanone with different morphologies of Pd and 0.5 theta(Pt)-Pd counterparts}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {MAR}, type = {Article}, abstract = {
The present study reports on the photocatalytic oxidation of butanols to butanal/butanone using thin film form of facet-dependent nano-Pd supported on commercial TiO2 under one-sun condition and demonstrates the generic nature. Pd-nanocube (Pd-NC(100)), Pd-truncated octahedron (Pd-TO (100) and (111)), polycrystalline (Pd-PC), and their counterparts with half-a-monolayer Pt-coated on Pd (0.5 theta(Pt)-Pd)) have been used as co-catalyst. A potentially scalable thin film form of Pd/TiO2 photocatalyst, prepared by drop-casting method, has been employed to study oxidation of n-butanol, 2-butanol, and iso-butanol to corresponding aldehyde/ketone. 100\% selectivity is demonstrated to respective aldehyde/ketone with any catalyst used in the present study with varying degree of butanols conversion by NMR. 0.5 theta(Pt)-Pd-TO/TiO2 shows the highest conversion of 2-butanol to butanone (13.6\% in 4 h). Continuous 10 h of reaction with the most active 0.5 theta(Pt)-Pd-TO/P25 catalyst demonstrates 31\% conversion of 2-butanol to butanone, and catalyst recyclability has been demonstrated. The present protocol can be scalable to large scales to maximize the conversion in direct sunlight. Due to its generic nature, the current method can also be applied to many other alcohols and substrate molecules.
}, keywords = {energy conversion, Nanomaterials, Oxidation, Photocatalysis, Sustainability}, issn = {1861-4728}, doi = {10.1002/asia.202201239}, author = {Salgaonkar, Kranti N. and Kale, Sandip R. and Nalajala, Naresh and Mansuri, Sayana and Gopinath, Chinnakonda S.} } @article {48674, title = {Selective and robust Ru catalyst for the aqueous phase aerobic oxidation of furfural to 2-furoic acid}, journal = {ACS Applied Materials \& Interfaces}, volume = {15}, year = {2023}, month = {SEP }, pages = {47004-47015}, type = {Article}, abstract = {
Synthesis of 2-furoic acid (FURA) via oxidation of furfural (FAL) is vital in evolving the biorefinery concept as FURA has numerous important applications in the pharmaceuticals and optic areas. Though few works on this reaction are done, those are marred with shortcomings such as the nonrecyclability of catalyst, dilute solutions, lower yields, or use of H2O2 as an oxidizing agent. Herein, we report catalytic aqueous phase oxidation of FAL to FURA using molecular oxygen as an oxidizing agent. For the synthesis of FURA, various catalysts with a combination of metal (Pt, Pd, Ru) and supports (carbon, Al2O3) were prepared and characterized by multiple techniques (X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Brunauer-Emmett-Teller (BET), X-ray photoelectron spectroscopy (XPS)). Oxidation of FAL carried out over 5 wt \% Ru/C catalyst in the presence of Na2CO3 yielded 83\% of FURA at 120 degrees C and 15 bar oxygen pressure. The catalyst could show potential for reusability as similar activity was achieved after subjecting the spent catalyst to mild reduction treatment (150 degrees C). Studies on the effects of temperature, pressure, and time could help accomplish enhanced yields of FURA. Additionally, learning about the effect of base (weak/strong/solid) revealed that due to the weak basicity of Na2CO3, higher yields could be achieved by maintaining approximately a pH of 11, which is optimal for suppressing side reactions. Under the given conditions, FURA is stable (\>90\%) and also adsorption studies divulge that it is immediately removed from the catalyst surface, and hence higher yields could be achieved in our catalytic system. Using the initial rates methodology, an activation energy of 21.91 kJ mol(-1) was derived and also a high turn over frequency (TOF) (85.9 h(-1)) was observed under optimized conditions.
}, keywords = {2-furoic acid (FURA), Biomass conversion, furfural (FAL), heterogeneous catalyst, Oxidation, ruthenium on carbon etc}, issn = {1944-8244}, doi = {10.1021/acsami.3c09965}, author = {Lokhande, Priya and Dhepe, Paresh L.} } @article {48466, title = {Selective one pot multicomponent green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives utilizing enhanced Lewis acidic sites of Surfactant-assisted ZnO catalyst}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {MAY}, pages = {e202300736}, type = {Article}, abstract = {
Five different ZnO nanocrystallites (ZnO-1 to ZnO-5) were successfully synthesized by a surfactant-assisted hydrothermal technique using various surfactants. All the ZnO nanocrystallites are thoroughly characterized by XRD, IR, UV-DRS spectroscopy and FESEM-EDS analysis. Among the synthesized ZnO nanocrystallites, the CTAB-assisted synthesized ZnO-4 exhibited a fine disc-like morphology with a minimum crystallite size (23 nm). Subsequent to reaction optimization studies, the ZnO-4 is utilized as an efficient catalyst for one pot-three component green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indoles (4a-4p) via. condensation of a variety of indoles, aromatic aldehydes and aromatic thiols at room temperature in water. The single-crystal X-ray structure of 3-[(phenyl)(phenylthio)methyl]-1H-indole (4a) is also been reported (CCDC 2170437). The Lewis acidic property of the catalyst-supported probable mechanism is well proposed subsequent to pyridine-IR studies of the ZnO catalysts. Indeed, CTAB-assisted synthesized ZnO-4 was found to be most effective and selective Lewis acid catalyst for the synthesis of a variety of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives in water at ambient temperature with merits like higher yields, lower reaction time, catalyst recovery and reuse.
}, keywords = {3-[(aryl)(arylthio)methyl]-1H-indole, green synthesis, Lewis acidity, Single crystal, ZnO}, issn = {2365-6549}, doi = {10.1002/slct.202300736}, author = {Sangale, Vijay B. B. and Jagtap, Rohidas M. M. and Mali, Bhupendra P. P. and Gonnade, Rajesh G. G. and Pardeshi, Satish K. K.} } @article {48768, title = {Selective oxidation of 5-HMF to DFF over alkali promoted Mn nanocomposite}, journal = {Applied Catalysis A-General}, volume = {659}, year = {2023}, month = {JUN}, pages = {119180}, type = {Article}, abstract = {
Various compositions of Cs promoted Mn catalysts were synthesized and investigated for selective oxidation of 5HMF to DFF, among which Mn-Cs(80:20) was found to be most efficient giving 91 \% conversion of 5-HMF and 99 \% selectivity to DFF. Detail characterization like N2-sorption, BET surface area, TG-DTA, XRD, XPS, FE-SEM-EDX, TEM, HR-TEM, CO2-TPD, H2-TPR, O2-TPO, FTIR, Raman spectra and CH3OH-IR were done to establish structureactivity correlation. Enhanced surface area, porosity, thermal stability, dual morphologies were observed due to inclusion of Cs in Mn lattice domain which further enhanced the crystallinity, and oxygen diffusion on the surface. Mixed morphologies comprising nanoparticles (4-5 nm) and nanocubes (50-60 nm) were observed with enhanced redox potential and reduced work function due to weakening of Mn-O bonds. Significant increase in the basicity of catalyst, interfacial redox properties and lattice oxygen led to highly efficient oxidation of 5-HMF to DFF via Mars-van Krevelen mechanism at relatively milder conditions i.e. T = 90 degrees C and PO2= 200 psig. The catalyst was easily recyclable up to 7 times with minor loss in activity which was regenerated heat treatment protocol.
}, keywords = {5-HMF, Biomass, heterogeneous catalyst, polyurethane, Selective oxidation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2023.119180}, author = {Solanki, Bhanupratap Singh and Roh, Hyun-Seog and V. Rode, Chandrashekhar} } @article {48994, title = {Self-assembled amino acid microstructures as biocompatible physically unclonable functions (BPUFs) for authentication of therapeutically relevant hydrogels}, journal = {Macromolecular Bioscience }, volume = {23}, year = {2023}, month = {NOV}, type = {Article}, abstract = {
Counterfeited biomedical products result in significant economic losses and pose a public health hazard for over a million people yearly. Hydrogels, a class of biomedical products, are being investigated as alternatives to conventional biomedical products and are equally susceptible to counterfeiting. Here, a biocompatible, physically unclonable function (BPUF) to verify the authenticity of therapeutically relevant hydrogels are developed. The principle of BPUF relies on the self-assembly of tyrosine into fibril-like structures which are incorporated into therapeutically relevant hydrogels resulting in their random dispersion. This unclonable arrangement leads to distinctive optical micrographs captured using an optical microscope. These optical micrographs are transformed into a unique security code through cryptographic techniques which are then used to authenticate the hydrogel. The temporal stability of the BPUFs are demonstrated and additionally, exploit the dissolution propensity of the structures upon exposure to an adulterant to identify the tampering of the hydrogel. Finally, a platform to demonstrate the translational potential of this technology in validating and detecting tampering of therapeutically relevant hydrogels is developed. The potential of BPUFs to combat hydrogel counterfeiting is exemplified by its simplicity in production, ease of use, biocompatibility, and cost-effectiveness.
}, keywords = {anti-counterfeiting, hydrogels, physically unclonable functions, Self-assembly, translational}, issn = {1616-5187}, doi = {10.1002/mabi.202300091}, author = {Akavaram, Vishwas and Kumar, Kush and Sriram, Shreya and Narra, Saisrinath and Kumawat, Akshant and Meena, Santosh Kumar and Pushpavanam, Karthik} } @article {48689, title = {Self-powered wearable breath sensor cum nanogenerator using AuNR-rGO-PVDF nanocomposite}, journal = {IEEE Sensors Journal}, volume = {23}, year = {2023}, month = {APR }, pages = {6473-6480}, type = {Article}, abstract = {
Breathing is the most important function of living being. It is well known that breath contains 90\% humidity along with various gases and volatile organic compounds (VOCs). These gases are released during various metabolic activities in the body. These gases present in the breath can act as biomarkers to showcase healthiness or abnormalities in the body. Therefore, breath sensors are the need of time to detect diseases at early stages and in noninvasive way. Herein, we report, simple breath sensor using Au nanorods (AuNRs) and its nanocomposite with reduced graphene oxide (rGO) and polyvinylidene fluoride (PVDF). The nanocomposites system is designed in such a way that each component has its advantages for breath sensing. Here, AuNR being a good humidity sensitive material detects the breath efficiently. The ss phased PVDF being a very good ferroelectric material, contributes for voltage generation during sensing and enables the device to be self powered. The highly conducting rGO increases the sensitivity and voltage generation by facilitating the electron transport in the nanocomposite system. The nanocomposite was optimized with respect to PVDF, rGO and Au concentration. The as-synthesized materials were characterized by physiochemical characterization techniques such as field emission scanning electron microscopy (FESEM), X-ray diffraction analysis (XRD), UV-Visible spectroscopy, Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). The ss phase formation of the PVDF was confirmed from the XRD peak at 20.41 degrees. SEM results revealed that AuNR have length 15-20 nm and aspect ratio similar to 3-4. Breath sensing tests were carried out for as synthesized nanocomposite material. The nanocomposite exhibited high sensitivity towards breath and generated the voltage of similar to 0.7 V within 0.8 s.
}, keywords = {Au nanorods (AuNRs), breath analyzer, breath sensor, nanogenerator}, issn = {1530-437X}, doi = {10.1109/JSEN.2023.3240744}, author = {Bang, Amruta D. and Ghalawat, Monika and Poddar, Pankaj and Kulkarni, Sulabha K. and Adhyapak, Parag V.} } @article {48305, title = {Settling and spreading behaviour of particle clusters in quiescent liquids in confined vessels}, journal = {Particuology}, volume = {83}, year = {2023}, month = {DEC}, pages = {91-100}, type = {Article}, abstract = {
Here we report experiments on particle cluster settling at high Reynolds number in quiescent liquid contained in a vessel. The particles were observed to spread at the vessel bottom surface in a nearcircular annular shape after settling irrespective of the shape of the vessel cross-section and particle shape, size, and types. Effect of different parameters such as mass, type and aspect ratio of the particles, height, and viscosity of liquid was investigated on spreading behaviour. Formation of the hemispherical bottom cap of the cluster that bounces upon hitting the vessel bottom surface was found to be responsible for the final circular annular shape of the settled structure. Particle leakage from the cluster was seen in the form of a tail. In the liquid having viscosity beyond 100 cP, cluster breakage was observed that resulted in hindered settling and asymmetric shapes of finally settled particles. The observations are useful to understand the overall area over which settling and spreading of such clusters can be observed. (c) 2023 Published by Elsevier B.V. on behalf of Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sciences.
}, keywords = {Particle cluster, Settling, spreading, Temporal evolution}, issn = {1674-2001}, doi = {10.1016/j.partic.2023.01.019}, author = {Pal, Sayan and Kulkarni, Amol A.} } @article {49000, title = {Shape-controlled MoO3/MnO x nanocatalyst for the selective synthesis of 2-phenylquinoxaline drug motifs}, journal = {ACS Applied Nano Materials}, volume = {6}, year = {2023}, month = {DEC }, pages = {23442-23453}, type = {Article}, abstract = {
We have developed a highly effective shape-controlled MoO3/MnOx nanocatalyst for the selective synthesis of 2-phenylquinoxaline drug motifs at room temperature without any external oxidant. Electron microscopy images reveal that the MnOx material contains rod-shaped particles (length: 500-1000 nm and width: 150-200 nm) and the MoO3 species are uniformly dispersed in the MoO3/MnOx material. The MoO3/MnOx nanocatalyst calcined at 500 degrees C (MoO3/MnOx-5) contains abundant strong acid sites and an optimum ratio of Mn4+/Mn3+, which are responsible for the C-N cross-coupling reaction between 2-phenylethylamine and o-phenylenediamine, giving higher yields (\>96\%) of 2-phenylquinoxaline at mild conditions. The broad scope of this catalytic strategy at room temperature and without an external oxidant was confirmed by achieving \>90\% yields of functional 2-phenylquinoxalines from C-N cross-coupling of various o-phenylenediamines and 2-phenylethylamines. The outstanding reusability efficiency of the MoO3/MnOx-5 nanocatalyst up to five cycles without the need for a regeneration step as well as the effective scalability highlighted the practicability of the MoO3/MnOx-based catalytic protocol for carbon-heteroatom coupling reactions at room temperature and without an external oxidant. Using computational studies, the possible reasons for the selective synthesis of 2-phenylquinoxaline over the MoO3/MnOx-5 nanocatalyst were elucidated.
}, keywords = {cascade C-N cross-coupling, DFT studies, room temperature andopen air, shape-controlled MoO3/MnOx nanocatalyst, structure-activity correlation}, doi = {10.1021/acsanm.3c04820}, author = {Singh, Nittan and Putla, Suresh Babu and Pratap Singh, Chandrodai and Kalbande, Pavan Narayan and Choudhary, Priyanka and Krishnamurty, Sailaja and Krishnan, Venkata and Bhatte, Kushal and Sudarsanam, Putla} } @article {48492, title = {Shapeshifter TDP-43: molecular mechanism of structural polymorphism, aggregation, phase separation and their modulators}, journal = {Biophysical Chemistry}, volume = {295}, year = {2023}, month = {APR}, pages = {106972}, type = {Review}, abstract = {
TDP-43 is a nucleic acid-binding protein that performs physiologically essential functions and is known to un-dergo phase separation and aggregation during stress. Initial observations have shown that TDP-43 forms het-erogeneous assemblies, including monomer, dimer, oligomers, aggregates, phase-separated assemblies, etc. However, the significance of each assembly of TDP-43 concerning its function, phase separation, and aggregation is poorly known. Furthermore, how different assemblies of TDP-43 are related to each other is unclear. In this review, we focus on the various assemblies of TDP-43 and discuss the plausible origin of the structural het-erogeneity of TDP-43. TDP-43 is involved in multiple physiological processes like phase separation, aggregation, prion-like seeding, and performing physiological functions. However, the molecular mechanism behind the physiological process performed by TDP-43 is not well understood. The current review discusses the plausible molecular mechanism of phase separation, aggregation, and prion-like propagation of TDP-43.
}, keywords = {Amyloid versus non-amyloid, Coacervation, Environmental conditions, Prion-like seeding, Structural heterogeneity, Thermodynamic and kinetic mechanism}, issn = {0301-4622}, doi = {10.1016/j.bpc.2023.106972}, author = {Doke, Abhilasha A. and Jha, Santosh Kumar} } @article {48291, title = {Short review on recent advances in porous adsorbents for separation of oxygen from atmospheric air}, journal = {Asia-Pacific Journal of Chemical Engineering}, volume = {18}, year = {2023}, month = {MAR}, type = {Review}, abstract = {
Pure oxygen demand is continuously increasing worldwide due to wide applications including medical and industrial. Pressure swing adsorption (PSA) is one of the promising techniques to separate O-2 from atmospheric air. The porous solid adsorbent is a key element in the PSA to trap nitrogen (N-2) and release O-2. Several adsorbents including low silica X (LSX), zeolite 5A, ion-exchanged LSX (Li-LSX, AgLi-LSX, Ca-LSX), Engelhard titanosilicate (Na-ETS-10, Ag-ETS-10), and SSZ-13 have been investigated for adsorption of N-2 from the air. This review article is a summarization of recent research work published on O-2 separation using different porous adsorbents via PSA. This review also emphasizes on the best porous sorbent for purification of O-2 by sorption of N-2 and Ar. The adsorption capacities with experimental conditions are also rigorously discussed. The review also proposed future trends and prospects for O-2 separation. This review will be helpful to choose remarkable adsorbent for the generation pure O-2.
}, keywords = {13X zeolite, adsorbent, ETS-10, oxygen, Separation}, issn = {1932-2135}, doi = {10.1002/apj.2896}, author = {Shrotri, Aadesh R. R. and Niphadkar, Prashant S. S. and Bokade, Vijay V. V. and Utgikar, Vivek P. P. and Nandanwar, Sachin U. U.} } @article {48738, title = {Six-membered NHC stabilized monomeric zinc complexes}, journal = {European Journal of Inorganic Chemistry}, volume = {26}, year = {2023}, month = {JUL}, pages = {e202300167}, type = {Article}, abstract = {
This paper describes the rare use of a 6-membered saturated N-heterocyclic carbene (NHC) known as 1,3-di(2,6-diisopropylphenyl) tetrahydropyrimidine-2-ylidene (abbreviated as 6-SI-Dipp) as a ligand in zinc chemistry. We report on the investigation of the reactions between 6-SI-Dipp and ZnX2, which resulted in a range of new monomeric 6-SIDipp center dot ZnX2 complexes (X=Et (1), Cl (2), Br (3), and I (4)). We also prepared a new NHC zinc complex where the two substituents of the zinc atom are different, 6-SIDipp center dot Zn(Et)Br (7) through the reaction of the proligand [6-SIDippH]Br with ZnEt2. We have observed that the reactions of complex 1 with sulfur and HBpin led to the removal of the ZnEt2 moiety, resulting in the formation of a C=S double bond and a B H activation product, respectively. Lastly, the reaction of 1 with five-membered NHCs led to the exchange of carbene and the formation of either 5-IDipp center dot ZnEt2 (8) or 5-SIDipp center dot ZnEt2 (9).
}, keywords = {Lewis adduct, NHC, X-ray diffraction, zinc}, issn = {1434-1948}, doi = {10.1002/ejic.202300167}, author = {Gour, Kritika and Kundu, Gargi and Dash, Soumya Ranjan and Vanka, Kumar and Tothadi, Srinu and Sen, Sakya S.} } @article {48297, title = {Size does matter: antibacterial activities and cytotoxic evaluation of polymorphic CuO nanostructures}, journal = {Journal of Materials Science}, volume = {58}, year = {2023}, month = {FEB}, pages = {2782-2800}, type = {Article}, abstract = {
Nanostructured materials play a significant role in antibacterial activities. However, understanding the geometrical influence at the nanoscale in terms of size- and shape-correlated physical properties on antibacterial activities is very essential. Herein, we report the antibacterial influence of various copper oxide nanostructures (CuO NS) such as nanoparticles (NPs) (\< 10 nm), nanospheres (NSs) (50-100 nm), and porous nanoflowers (NFs) (asymptotic to 350 nm). The XRD confirmed the crystalline nature of CuO NPs without impurities. The antibacterial activities of CuO NPs were investigated by the microplate dilution method and confocal laser scanning microscopic (CLSM) imaging. NPs having a diameter less than 10 nm exhibited significant damage to the bacterial cell membrane than NSs and NFs. Interestingly, NPs illustrated relatively low antibacterial activity against Gram-negative bacteria (Pseudomonas aeruginosa and Acinetobacter baumannii) than Gram-positive bacteria (Staphylococcus aureus and Staphylococcus epidermidis). Acinetobacter baumannii was found to be more susceptible to the NPs than other bacterial strains, attributed to its increased membrane permeability. The death phase was observed at a concentration of 15.6 mu g mL(-1) and 3.9 mu g mL(-1) for P. aeruginosa and A. baumannii, respectively, when treated with CuO NP after the 8 h of incubation. Similarly, for S. aureus and S. epidermidis, the death phase was observed at the concentration of 31.2 mu g mL(-1) and 250 mu g mL(-1), respectively. Furthermore, as the cell cytotoxicity measurements against human fibroblast L9239 cells revealed that CuO NPs were safe. The morphological and cell viability assay demonstrated 100\% cell survival, when treated with NPs and NSs (5, 10, and 25 mu g mL(-1)), signifies no cytotoxicity. Therefore, CuO nanoparticles can be used for clinical and therapeutic applications.
}, issn = {0022-2461}, doi = {10.1007/s10853-023-08157-4}, author = {Desai, Dnyanada G. and Navale, Govinda R. and Late, Dattatray J. and Dharne, Mahesh S. and Walke, Pravin S.} } @article {48831, title = {Solvation structure and dynamics of a small ion in an organic electrolyte}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {440}, year = {2023}, month = {JUN}, pages = {114666}, type = {Article}, abstract = {
Organic carbonates are commonly used as electrolytes in commercial lithium-ion batteries. A detailed interpretation of the solvation structure and dynamics of the electrolyte around ions is necessary to understand the charge/discharge process in batteries. This work combines infrared absorption spectroscopy with quantum chemical calculations and molecular dynamics simulations to decipher the solvation structure of propylene carbonate, a cyclic carbonate, around the dissolved thiocyanate ion. Two dimensional infrared spectroscopy and polarization-selective pump probe spectroscopies have been utilized to extract the timescales of solvent fluctuation and the solute reorientational dynamics. The similarity in the slow timescales for the solute and the solvent dynamics signifies that similar processes control both dynamics.
}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2023.114666}, author = {Kore, Shivshankar and Sahoo, Rudhi Ranjan and Santra, Binit and Sarkar, Archishman and Chowdhury, Tubai and Deshmukh, Samadhan H. and Hazarika, Sulagna and Chatterjee, Srijan and Bagchi, Sayan} } @article {48322, title = {Spatio-temporal variation of the microbiome and resistome repertoire along an anthropogenically dynamic segment of the Ganges River, India}, journal = {Science of the Total Environment}, volume = {872}, year = {2023}, month = {MAY}, pages = {162125}, type = {Article}, abstract = {
Aquatic ecosystems are regarded as a hub of antibiotic and metal resistance genes. River Ganges is a unique riverine system in India with socio-cultural and economic significance. However, it remains underexplored for its microbiome and associated resistomes along its anthropogenically impacted course. The present study utilized a nanopore sequenc-ing approach to depict the microbial community structure in the sediments of the river Ganges harboring antibiotic and metal resistance genes (A/MRGs) in lower stretches known for anthropogenic impact. Comprehensive microbiome analyses revealed resistance genes against 23 different types of metals and 28 classes of antibiotics. The most dominant ARG category was multidrug resistance, while the most prevalent MRGs conferred resistance against copper and zinc. Seasonal differences dismally affected the microbiota of the Ganges. However, resistance genes for fosmidomycin and tetracycline varied with season ANOVA, p \< 0.05. Interestingly, 333 and 334 ARG subtypes were observed at all the locations in pre-monsoon and post-monsoon, respectively. The taxa associated with the dominant ARGs and MRGs were Pseudomonas and Burkholderia, which are important nosocomial pathogens. A substantial phage diversity for pathogenic and putrefying bacteria at all locations attracts attention for its use to tackle the dissemination of antibiotic and metal-resistant bacteria. This study suggests the accumulation of antibiotics and metals as the driving force for the emergence of resistance genes and the affiliated bacteria trafficking them. The present metagenomic as-sessment highlights the need for comprehensive, long-term biological and physicochemical monitoring and mitigation strategies toward the contaminants associated with ARGs and MRGs in this nationally important river.
}, keywords = {Antibiotics (ARGs), Bacteriophages, Heavy metals (MRGs), Metagenomics, Microbiome, River Ganges}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2023.162125}, author = {Samson, Rachel and Rajput, Vinay and Yadav, Rakeshkumar and Shah, Manan and Dastager, Syed and Khairnar, Krishna and Dharne, Mahesh} } @article {48452, title = {Speed breeding opportunities and challenges for crop improvement}, journal = {Journal of Plant Growth Regulation}, volume = {42}, year = {2023}, month = {JAN}, pages = {46-59}, type = {Article}, abstract = {
Crop improvement in light of the rapidly changing climate and the increasing human population continues to be one of the primary concerns for researchers across the globe. The rate at which current crop improvement programs are progressing is essentially inadequate to meet the food demand. There is an urgent need for redesigning the crops for climate resilience and sustainable yield and nutrition. The rate of crop improvement is largely impeded owing to the long generation time taken by crop plants during the breeding process. As a solution in this direction, speed breeding is now being practiced at a large scale to reduce generation time to accommodate multiple generations of crops per year. To enhance the efficiency of breeding, researchers are now adopting an integrated approach where speed breeding is used along with modern plant breeding and genetic engineering technologies. In the present review, we have summarized the technological aspects, opportunities, and limitations associated with speed breeding. The application of speed breeding such as mapping population development, haplotype-based breeding, transgenic breeding, and genome-edited line advancement has also been discussed. Speed breeding is a promising technology that expedites the goals of food and industrial crop improvement by reducing the breeding cycles for establishing nutritional security and sustainable agriculture.
}, keywords = {Genome editing, Genomic selection, Haplotype breeding, Speed breeding, Transgenic breeding}, issn = {0721-7595}, doi = {10.1007/s00344-021-10551-8}, author = {Sharma, Shivani and Kumar, Amit and Dhakte, Priyanka and Raturi, Gaurav and Vishwakarma, Gautam and Barbadikar, Kalyani M. and Das, B. K. and Shivaraj, S. M. and Sonah, Humira and Deshmukh, Rupesh} } @article {48965, title = {Squarate-tethered enantiomeric Imido-Pd(II) cages for recognition and separation of chiral organic molecules}, journal = {Inorganic Chemistry }, volume = {62}, year = {2023}, month = {NOV }, pages = {19375-19381}, type = {Article}, abstract = {
Chiral coordination cages have emerged as an efficient platform for enantioselective processes via host-guest interactions. Here, we report an enantiomeric pair of tetrahedral cages of formula [(Pd-3[PO(N(*CH(CH3)Ph)(3)])(4)(C4O4)(6)] supported by chiral tris(imido)phosphate trianions and squarate (C4O4)(2-) linkers. These cages exhibit unusual coordination isomerism for Pd(II)-linker bonds compared with the other Pd(II) cages of this family. Further, they were employed for the recognition and separation of small chiral molecules containing various functionalities. High enantioselectivities of 67 and 41 were found in the case of R-4-hydroxydihydrofuran-2(3H)-one and S-epichlorohydrin, recognized by the R-isomer of the cage. Chiral separation studies showed remarkable enantiomeric excess values of 93 and 85\% for S-epichlorohydrin and R-4-benzyl-2-oxazolidinone, respectively, from their racemic mixtures. These studies showcase the potential of coordination cages for enantioselective applications.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.3c03105}, author = {Jose, Cavya and Sarkar, Meghamala and Rajasekar, Prabhakaran and Tewari, Tanuja and Boomishankar, Ramamoorthy} } @article {48941, title = {Steric and electronic effect in unsymmetrical squaraine dyes for dye-sensitized solar cells}, journal = {Journal of physical chemistry C }, volume = {127}, year = {2023}, month = {NOV}, pages = {22473-22488}, type = {Journal Article}, abstract = {
Functionalizing the light harvesting sensitizers with additional electron-donating or -withdrawing groups is a potential approach to modulate the photophysical and electrochemical properties which in-turn optimizes the driving force associated with the charge injection and dye-regeneration processes at the dye-TiO2/electrolyte interface and the photovoltaic device performance in dye-sensitized solar cells (DSSCs). Furthermore, modulated electronic levels of the dyes provide an opportunity to reduce the overpotential associated with the dye-regeneration process and make the dye-TiO2 interface compatible with various electrolytes. Furthermore, an in-built steric feature by means of introducing linear/branched alkyl groups in the sensitizer is important in controlling the aggregation of dyes on the TiO2 surface. Hence, to integrate both steric and electronic properties, a series of alkyl group-wrapped unsymmetrical squaraine dyes (SQ-X) with electron-donating and -withdrawing groups have been designed, synthesized, and utilized for DSSC device fabrication. These dyes are functionalized with alkyl groups at both sp(3)-C and N-atoms of the indoline donor moiety at the nonanchoring side to have a similar steric feature. Photophysical and electrochemical studies revealed that the HOMO and LUMO energy levels of the SQ-X series of dyes have been modulated systematically with sufficient driving forces for both charge injection and dye-regeneration processes with iodolyte (I-/I-3(-)) electrolyte. In the presence of electron-donating groups in SQ-X (where X = -NPh2 and -OMe), the HOMO energy levels are less positive than SQ-H, whereas the presence of electron-withdrawing groups such as -CO2Me, -CN, and -NO2 pushed the HOMO energy levels toward more positive potentials. Enhanced photovoltaic performances have been obtained for the dyes containing electron-donating groups, where the dye with the -NPh2 group showed a maximum of eta 7.03\% (V-OC 708 mV, J(SC) 13.16 mA cm(-2), and ff 78\%). The dye with the strong electron-withdrawing group -NO2 showed an efficiency of 1.49\% (V-OC = 634 mV, J(SC) = 3.13 mA cm(-2), and ff 75\%). As the dyes with the electron-withdrawing group possess deep positive HOMO energy levels, the DSSC device characterization has been investigated with the Cu+/2+ redox shuttle. The reduced device performance of electron-withdrawing-group-containing dyes is due to the unfavored charge distribution in the LUMO compared to the presence of electron-donating-group-containing dyes, and it was supported by the difference in the charge injection efficiency.
}, keywords = {cobalt, Donor, Dynamics, Organic dyes}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.3c05222}, author = {Nawghare, Indrajeet S. and Singh, Ambarish Kumar and Maibam, Ashakiran and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {48477, title = {Strategies and practical approaches for stable and high energy density sodium-ion battery: a step closer to commercialization}, journal = {Materials Today Sustainability}, volume = {22}, year = {2023}, month = {JUN}, pages = {100385}, type = {Article}, abstract = {
Sodium-ion batteries (SIBs) are reckoned as a potential alternative to Li-ion batteries (LIBs). Currently, the limited supply of precursors and the cost of LIBs have regenerated research and development interest in SIBs. Due to differences in the chemistry of lithium (Li) and sodium (Na), optimized methods for LIBs cannot be blindly applied to develop SIBs. Along with the judicial selection of electrode materials, electrolytes, and interfaces are very crucial for safe, high-power, and long-lasting batteries. The initial part of this review deals with the challenges faced in commercializing SIB full cells. Subsequently, the strategies to improve the energy density of SIB full cells through electrode modifications and electrolyte engineering are described in detail. This review comprehensively represents notable insights into the large-scale commercialization of potential sodium-ion batteries in the full cell.(c) 2023 Elsevier Ltd. All rights reserved.
}, keywords = {Cathode additives, Electrolyte additives, Na compensation, Self -sacri ficial salts, Sodium -ion battery}, issn = {2589-2347}, doi = {10.1016/j.mtsust.2023.100385}, author = {Yadav, P. and Patrike, A. and Wasnik, K. and Shelke, V. and Shelke, M.} } @article {48984, title = {Sulfonated zinc phthalocyanine coating as an efficient and ecofriendly corrosion inhibitor for copper surfaces: an in silico led design and its experimental validation}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {NOV }, pages = {17295-17307}, type = {Article}, abstract = {
The current study highlights the successful integration of an in silico design with experimental validation to create a highly effective corrosion inhibitor for copper (Cu) surfaces. The synthesized sulfonated zinc phthalocyanine (Zn-Pc) is electrochemically characterized and demonstrates an impressive 97\% inhibition efficiency, comparable to the widely used industrial corrosion inhibitor, BTA, for Cu surfaces. The corrosion inhibition is comprehensively analyzed through potentiodynamic polarization and impedance spectroscopy techniques, supported by their respective equivalent circuits. Furthermore, the sample undergoes thorough characterization using scanning electron microscopy, energy-dispersive X-ray analysis, X-ray photoelectron spectroscopy, contact angle measurements, and atomic force microscopy. Density functional theory calculations reveal that sulfonated Zn-Pc exhibits the highest interaction energy, underscoring its exceptional inhibition properties. These results open possibilities for utilizing computational methods to design and optimize corrosion inhibitors for protection of Cu surfaces.
}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c02393}, author = {Dekshinamoorthy, Amuthan and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Khatri, Praveen K. and Jain, Suman Lata and Ray, Anjan and Vijayaraghavan, Saranyan} } @article {48776, title = {Surface functionalization of inorganic nanoparticles with ligands: a necessary step for their utility}, journal = {Chemical Society Reviews}, volume = {52}, year = {2023}, month = {APR}, pages = {2573-2595}, type = {Review}, abstract = {
The importance of organic ligands in protecting inorganic nanoparticles and thus imparting the needed stabilization as colloidal dispersions was realised many years ago. Currently, the rational preparation of such nanoparticles with designed organic molecules/ligands resulting in the formation of functional nanoparticles (FNPs) that are tuned for a specific application is an area of immense research interest. The preparation of such FNPs for a desired application requires a clear understanding of the interactions at the nanoparticle (NP)-ligand and ligand-solvent interfaces, and demands a deep appreciation of the surface science and coordination chemistry. In this tutorial review, we briefly explore the evolution of surface-ligand chemistry and inform the readers that, apart from protecting the surface, ligands can modulate the physico-chemical properties of the underlying inorganic NPs as well. This review further presents the design principles for the rational preparation of such FNPs, where one or more ligand shells can be added to the nanoparticle surface, thereby improving the adaptability and amenability of the NP exterior towards the environment in which they are present, as required for a specific application.
}, issn = {0306-0012}, doi = {10.1039/d1cs00876e}, author = {Bhattacharjee, Kaustav and Prasad, Bhagavatula L. V.} } @article {48463, title = {Surface-induced demixing of self-assembled isomeric mixtures of citral}, journal = {Journal of Molecular Liquids}, volume = {381}, year = {2023}, month = {JUL }, pages = {121803}, type = {Article}, abstract = {
The self-assembly of organic molecules and their interactions with metal surfaces have been of considerable interest, both for developing novel functional materials and for understanding fundamental design principles of nanostructures. In this study, we investigate the solution and surface-induced self-assembly of two stereoisomers of citral molecules (geranial and neral) using atomistic molecular dynamics simulations. We demonstrate that the morphology of the aggregates in water is concentration dependent (ranging from distorted spherical to slab-like aggregates) but independent of isomer effects. The isomeric mixtures of citral indicate homogeneous mixing based on differential density maps and high values of Shannon entropy. Interestingly, surface-confinement of citral aggregates on a Cu(111) surface leads to phase segregation and demixing of the two isomers that is more apparent in the surface-bound monolayer in comparison to the adjacent layers. Positional ordering and formation of domains are observed over a series of isomeric citral mixtures with varying compositions, as indicated by high differential density and low values of Shannon entropy. Our work provides new insights into molecular self-assembly of organic molecules in nanostructures and metal-organic overlayers.(c) 2023 Elsevier B.V. All rights reserved.
}, keywords = {Citral, Isomers, Metal-organic interactions, molecular dynamics, Self-assembly, Shannon entropy}, issn = {0167-7322}, doi = {10.1016/j.molliq.2023.121803}, author = {Saraf, Deepashri and Prakash, Shikha and Pinjari, Aadil and Pujari, Bhalchandra and Sengupta, Durba} } @article {48724, title = {Sustainable and cleaner production of poly-gamma-glutamic acid (γ-PGA) biopolymer using floral waste and its anti-staling properties}, journal = {Journal of Cleaner Production}, volume = {425}, year = {2023}, month = {NOV }, pages = {138709}, type = {Article}, abstract = {
The framework of sustainable development (SD) hinges on 17 different ideals established by the United Nations. This call for SD can be addressed by the circular bio-economy concept, which not only ensures effective waste management but also encourages its valorization and repurposing, hence fostering both ecological and economic stability. One-third of the world{\textquoteright}s floral production is in jeopardy, and because there are no potential solutions for sustaining floral waste, it inevitably ends up in landfills and riverine systems, which is detrimental to the environment. Therefore, in the present study, floral waste that was destined for landfills or water bodies was productively valorized to poly gamma glutamic acid (gamma-PGA), a high value biopolymer, with a yield of 40 g/L and productivity of 1.6 g/L/h employing an L-glutamic acid (L-GA) independent feeding approach. When gamma-PGA was coated onto Vitis vinifera grapes, it exhibited excellent moisture retention, reduced microbial contamination, and preserved the grapes{\textquoteright} aesthetic characteristics and nutrient content. The weight loss study demonstrated that grapes coated with 1\% and 2\% gamma-PGA experienced significantly lower weight loss (13\% and 14\% respectively) compared to the control group (21.6\%). Moreover, a 5-min dip coating time proved to be the most effective in reducing weight loss to 12.43\%. Over a period of 14 days, the control group exhibited a remarkably high weight loss (41\%) in contrast to the treated group, which showed significantly lower weight loss (16\%). Our work is a fine example of how the circular bio-economy and waste valorization may be used to achieve the long-term objectives of sustainable development, economic stability, and food security.
}, keywords = {Bio-economy, Floral waste, L-GA independent, Poly-gamma-glutamic acid, Valorization}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2023.138709}, author = {Nair, Pranav G. and Dharne, Mahesh S.} } @article {48826, title = {Synthesis, biological evaluation and docking studies of silicon incorporated diarylpyrroles as MmpL3 inhibitors: an effective strategy towards development of potent anti-tubercular agents}, journal = {European Journal of Medicinal Chemistry}, volume = {259}, year = {2023}, month = {NOV }, pages = {115633}, type = {Article}, abstract = {
Growing global demand for new molecules to treat tuberculosis has created an urgent need to develop novel strategies to combat the menace. BM212 related compounds were found to be potent anti-TB agents and they inhibit mycolic acid transporter, MmpL3, a known potent drug target from Mycobacterium tuberculosis. In order to enhance their inhibitory potency, several silicon analogues of diarylpyrroles related to BM212 were designed, synthesized, and evaluated for anti-tubercular activities. In Alamar blue assay, most of the silicon-incorporated compounds were found to be more potent than the parent compound (BM212), against Mycobacterium tuberculosis (MIC = 1.7 \& mu;M, H37Rv). Docking results from the crystal structure of MmpL3 and silicon analogues as pharmacophore model also strongly correlate with the biological assays and suggest that the incorporation of silicon in the inhibitor scaffold could enhance their potency by stabilizing the hydrophobic residues at the binding pocket. The best docking hit, compound 12 showed an MIC of 0.1 \& mu;M against H37Rv with an acceptable in vitro ADME profile and excellent selectivity index. Overall, the present study indicates that, the designed silicon analogues, especially compound 12 could be a good inhibitor for an intrinsically flexible drug-binding pocket of MmpL3 and has potential for further development as anti-tubercular agents.
}, keywords = {antibiotic, BM212, docking studies, MmpL3 inhibitor, Silicon analogue, tuberculosis}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2023.115633}, author = {Vasudevan, N. and Motiwala, Zenia and Ramesh, Remya and Wagh, Sachin B. and Shingare, Rahul D. and Katte, Revansiddha and Anand, Amitesh and Choudhary, Sushil and Kumar, Ajay and Gokhale, Rajesh S. and Kulkarni, Kiran A. and Reddy, D. Srinivasa} } @article {48433, title = {Synthesis, characterization and post-modification of aromatic (Co)polyesters possessing pendant maleimide groups}, journal = {High Performance Polymers}, volume = {35}, year = {2023}, month = {SEP}, type = {Article}, abstract = {
A new series of (co)polyesters possessing pendent maleimide groups was synthesized by low temperature solution polycondensation of 4, 4{\textquoteright}-(5-maleimidopentane-2, 2-diyl) diphenol (BPA-MA) with isophthalic acid chloride (IPC), terephthalic acid chloride (TPC) and a mixture of TPC and IPC (50:50\ mol \%). Copolyesters were also synthesized by polycondensation of varying compositions of BPA-MA and bisphenol-A (BPA) with IPC. The chemical structures and compositions of (co)polyesters were confirmed by NMR spectroscopy. Inherent viscosity values and number-average molecular weights of (co)polyesters were in the range 0.50{\textendash}0.76\ dL/g and 17,700-32,100\ g/mol, respectively, indicating the formation of reasonably high molecular weight polymers. (Co)polyesters were readily soluble in common organic solvents and could be cast into tough, transparent and flexible films from chloroform solutions. (Co)polyesters exhibited 10\% weight loss and glass transition temperatures in the range 464{\textendash}468 and 142{\textendash}178{\textdegree}C, respectively. A representative copolyester possessing pendant maleimide groups was chemically modified\ via\ metal-free azide-maleimide 1,3-dipolar cycloaddition click reaction with two azido compounds, namely, (azidomethyl)benzene (Bz-N3) and 1-(azidomethyl)-pyrene (Py-N3) to yield corresponding modified copolyesters in a quantitative manner.
}, author = {Jadhav, Uday A. and Nagane, Samadhan S. and Wadgaonkar, Prakash P.} } @article {48832, title = {Synthesis, characterization, crystal structure, in silico and computational studies on a novel Schiff base derived from α-chlorocinnamaldehyde and 4-aminoantipyrine}, journal = {Journal of Molecular Structure}, volume = {1289}, year = {2023}, month = {OCT}, pages = {135928}, type = {Article}, abstract = {
Schiff base, 4-(((1E,2Z)-2-chloro-3-phenylallylidene)amino)-1,5-dimethyl-2-phenyl-1,2 -dihydro-3H-pyrazol-3-one (1) was synthesized by condensation reaction of 4-aminoantipyrine and \& alpha;-chlorocinnamaldehyde. The compound was characterized using Fourier-transform infrared spectroscopy (FT-IR), ultraviolet (UV)-visible spectroscopy, proton and carbon nuclear magnetic resonance spectroscopy (1H/13C NMR) and single-crystal X-ray diffraction analysis (SC-XRD). Density functional theory (DFT) was used to compute molecular parameters and also compared them with experimental data. The X-ray diffraction data revealed that the compound crys-tallizes as a monoclinic crystal system with a space group of C2/c and Z = 8, and is stabilized by C12-H12MIDLINE HORIZONTAL ELLIPSISO1, and C8-H8AMIDLINE HORIZONTAL ELLIPSISO1 intramolecular hydrogen bonds. The presence of a distinctive azomethine C = N bond length N3-C12 of 1.283(3) \& ANGS;, and 1640 cm-1 stretching vibration in the FT-IR spectrum are evidence of the formation of a Schiff base. The computational result indicates that the ionization energy (IE), and electron affinity (EA) values for the molecule are 4.025 and 2.110 eV, respectively. The positive value of EA suggests that the addition of an electron to the molecule would be an exothermic process. The evaluated energy is relatively low and is an expression of the ease of electron transfer from the highest occupied molecular orbital (HOMO) to the lowest unoccupied molecular orbital (LUMO). Hirsfeld surface map over dnorm and curvedness surface indicated the presence of 7C-7C stacking while the shape factor index suggests donor and acceptor intermolecular C-H-7C. Analysis of Hirsfeld surfaces concerning the fingerprint indicated a minimal contribution from the de -di pair and reveals H{\textendash}H as a major contribution to the Hirsfeld surface. However, the molecular packing did not confirm H{\textendash}H as a significant contributor the packing. Docking calculations on the compound showed average theoretical binding energies toward aromatase (-5.99 \& PLUSMN; 0.34 kcal/mol) and fibroblast growth factor receptor (FGFR) (-17.57 \& PLUSMN; 6.85 kcal/mol), indicating binding interactions with both protein targets.
}, keywords = {Computational studies, molecular modeling, Schiff base, X-ray crystallography}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2023.135928}, author = {Adimudo, Hillary Chijioke and Agu, Chidike Justus and Okenyeka, Obinna U. and Eddy, Nnabuk O. and Dim, Ebubechukwu Nnamdi and Dege, Necmi and Bonardd, Sebastian and Vanka, Kumar and Ibezim, Akachukwu and Idika, Digbo Iku and Diaz, David Diaz and Obasi, Nnamdi Lawrence} } @article {48304, title = {Synthesis of 3 alkyl and 1,3-Bis(alkyl)indolizine amides from a-bromohydroxamates}, journal = {Tetrahedron Letters}, volume = {118}, year = {2023}, month = {MAR}, pages = {154386}, type = {Article}, abstract = {
A simple and catalyst-free method has been developed for the synthesis of hindered indolizine amide derivatives from functionalized alkyl bromides. The reaction of a variety of indolizine derivatives with azaoxyallyl cations generated in situ from a-bromoamides afforded a wide range of synthetically important mono- and di-alkylated indolizine amide derivatives in good to excellent yields.@2023 Elsevier Ltd. All rights reserved.
}, keywords = {a -Bromohydroxamates, Amides, HFIP, Indolizine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2023.154386}, author = {Mane, Kishor D. and Bagwe, Sagar S. and More, Satish G. and Suryavanshi, Gurunath} } @article {49138, title = {Synthesis of advanced asbestos-free material using rice husk ash and marble waste for thermal insulation applications}, journal = {Biomass Conversion and Biorefinery}, volume = {13}, year = {2023}, month = {JUL}, pages = {8985-8998}, type = {Article}, abstract = {
The importance and utilization of advanced thermal insulating materials increase due to their broad and irreplaceable energy conservation role. This paper describes the novel way of achieving insulating material. In two waste by-products, namely rice husk ash (RHA), agriculture waste, and marble waste powder (MWP), industrial waste has been utilized to make asbestos-free advanced material for thermal insulation. A novel method for making asbestos-free advanced material for thermal insulation using RHA and marble waste{\textquoteright}s inherent characteristics has developed mechano-chemical for appropriate physico-chemical consolidation, densification, and ceramic processing route. The Si and Ca sources undergo a series of chemical transformations accompanied by mass transfer and thermal reactions during the synthesis process. The formation of this silicate compound occurs due to the presence of higher contents of CaO in marble waste powder (MWP) and silica in rice husk ash (RHA), resulting in thermal insulating characteristics in the advanced thermal insulation material (ATIM). Raman spectra of ATIM after heating at 1100 degrees C were mainly amorphous, which had a broad peak at 1072 cm(-1). This shows thermal transformation occurs after the heating process, the admixture of tailored powder, and fly ash (FA). The density of the ATIM is found to be 1150 kg/m(3). The phase transformation (glass transition temperature) was found in all the samples between 600 and 800 degrees C. The mechanical properties, namely the compressive strength and impact strength evaluation test, showed that the material meets the standard specifications for ceramic tiles. The thermal conductivity (W/mK) was calculated from different temperature 30, 50, 100,150, and 200 degrees C and found to be 0.571, 0.541, 0.516, 0.498, and 0.477, respectively. According to the test results, it is concluded that ATIM from MWP, RHA, and FA were excellent insulating components. The novel feature of the reported process is the development of non-toxic and asbestos-free thermal insulating low-cost material wherein chemically designed and mineralogically formulating desired phases lead to the homogeneous and effective thermal insulating matrix. The process is feasible, simple, cheap, and highly energy-efficient, increases production efficiency, and is environmentally friendly. The widespread use of advanced material for a broad application spectrum ranges from aerospace, automobile, electronics, transportation, construction, to other industries.
}, keywords = {Asbestos, Fly ash, Marble waste, Material, Rice husk ash, Thermal insulation}, issn = {2190-6815}, doi = {10.1007/s13399-021-01950-8}, author = {Verma, Sarika and Bajpai, Harsh and Suresh, S. and Mili, Medha and Gupta, Ritesh Kumar and Shetty, Rohit and Kamble, Sanjay and Khan, Mohd. Akram and Hashmi, S. A. R. and Srivastava, A. K.} } @article {48713, title = {Synthesis of N-functionalized 2,3-disubstituted benzofurans/naphthofurans from para-quinone methides and isocyanides via the [4+1] annulation pathway}, journal = {Organic Chemistry Frontiers}, volume = {10}, year = {2023}, month = {JUL}, pages = {3746-3751}, type = {Article}, abstract = {
A scandium triflate catalyzed [4 + 1] cycloaddition reaction of 2-hydroxy-substituted para-quinone methides and isocyanides has been developed. This operationally simple, efficient and practical protocol provides straightforward access to a variety of N-functionalized 2,3-disubstituted benzofuran/naphthofuran derivatives with broad functional group compatibility and good scalability.
}, issn = {2052-4129}, doi = {10.1039/d3qo00048f}, author = {Kale, Someshwar B. and Kumar, Manish and Shinde, Dinesh R. and Krishna, Gamidi Rama and Das, Utpal} } @article {48977, title = {Synthesis of novel rhodamine type anthrone Spiro-lactam (ASL) analogues and evaluation of antiviral activity against dengue and chikungunya viruses}, journal = {European Journal of Medicinal Chemistry }, volume = {261}, year = {2023}, month = {DEC }, type = {Article}, abstract = {
A series of Rhodamine type Anthrone-Spirolactam (ASL) derivatives Benzylimin-Anthrone-Spirolactam (ASL-1 to ASL-10) and Benzamide-Anthrone-Spirolactam (ASL-11 and ASL-12) were synthesized via a simple condensation reaction between Anthrone Spiro-lactamine (2) and various aromatic aldehyde and acyl chlorides respectively. Since rhodamine-based compounds were reported to have antiviral activity, the ASL derivatives were examined for in vitro antiviral activity against dengue and chikungunya viruses. Among all the analogues, ASL-3, ASL-6, ASL-7, ASL-8, ASL-9 and ASL-10 were the most potent against dengue virus (DENV) and exerted around one log reduction in virus titre under post -treatment conditions. At the same time ASL-3 was effective under cotreatment conditions. Two analogues ASL-6 and ASL-12 exerted anti-chikungunya virus (CHIKV) activity under post -treatment conditions. In silico docking studies revealed that the ASL derivatives interacted with the proteins of DENV and CHIKV. Together, the results suggest the anti-DENV and CHIKV activity of ASL derivatives which may be exploited further for therapeutic purposes.
}, keywords = {Anthrone Spiro-lactam, Chikungunya virus, dengue virus, Rhodamine}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2023.115849}, author = {Darole, Ratanamala S. and Bagad, Pooja K. and Gonnade, Rajesh G. and Alagarasu, Kalichamy and Punekar, Madhura and Shukla, Shridhar and Parashar, Deepti and Senthilkumar, Beeran} } @article {48453, title = {Synthesis of N-oxyethylene substituted imidazolium-based zwitterions as a recyclable solvent for cellulose dissolution}, journal = {Cellulose}, volume = {30}, year = {2023}, month = {JAN}, pages = {87-109}, type = {Article}, abstract = {
Cellulose is a readily available, renewable, and natural biomaterial that has the potential to replace synthetic fibres. However, their processing to shaped materials such as fibre or film is still complex and restricted due to its insolubility in most conventional solvents. Herein, we present the synthesis and cellulose dissolution characteristics of a new class of recyclable zwitterions composed of tethered N-oxyethylene substituted imidazolium cation and alkyl carboxylate anion. Investigations on cellulose dissolution showed that increasing the alkyl chain length of carboxylate anion and introduction of oxyethylene unit on imidazolium ring led to better cellulose dissolution ability, and up to 12\% (w/w) cellulose could be dissolved in aqueous zwitterions at 105 degrees C. The thermal behavior of zwitterions and their cellulose solutions was characterized by TGA and found to be more stable than the NMMO and Lyocell solutions. Rheological characterization of cellulose solutions revealed viscoelastic behavior and zero shear viscosity of 6-12\% (w/w) cellulose solution in hexanoate containing aqueous zwitterion was 555 to 5900 Pa.s at 120 degrees C. The characteristics of cellulose solution indicate its potential for processing to cellulose fibre by extrusion through a tiny spinneret. Physico-chemical analysis of regenerated cellulose indicates that zwitterions cause no adverse effect on cellulose structure and morphology during dissolution. The zwitterions are recovered after the cellulose regeneration process, and the recovery was found to be 99.6\% after purification using the ion-exchange method.
}, keywords = {Carboxylate anion, Cellulose dissolution, Oxyethylene unit, Regenerated cellulose, Rheology, zwitterions}, issn = {0969-0239}, doi = {10.1007/s10570-022-04883-1}, author = {Jadhav, Sachin and Ganvir, Vivek and Singh, Madan Kumar and Shanmuganathan, Kadhiravan} } @article {48720, title = {Synthesis of Si(IV)- and Ge(II)-substituted amines, hydrazone, and hydrazine from hypersilyl germylene}, journal = {Organometallics}, volume = {42}, year = {2023}, month = {OCT}, pages = {2983-2990}, type = {Article}, abstract = {
This study investigates the reactivity of a hypersilyl germylene [PhC-(NtBu)(2)GeSi-(SiMe3)(3)] (1) with various organic compounds including azides, diazoalkanes, 1,2-diphenylhydrazine, and trifluoroacetophenone. The reactivity observed in these reactions is driven by the insertion of the organic fragment between a silicon and germanium bond. This leads to the formation of novel compounds, including an amine featuring three different substituents from three different elements of group 14. When reacting with Me3SiCHN2, we observed the insertion of the diazoalkane fragment in an end-on fashion into the Ge-Si bond. An analogous trend was observed in reactions with 1,2-diphenylhydrazine and trifluoroacetophenone, where the N-N and C-O fragments were inserted into the Ge-Si bond. Multinuclear NMR and single-crystal X-ray diffraction analyses were conducted to characterize the newly synthesized compounds.
}, issn = {0276-7333}, doi = {10.1021/acs.organomet.3c00318}, author = {Ajithkumar, V. S. and Ghanwat, Pratiksha B. and Raj, K. Vipin and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {48672, title = {Systematic study of rare-earth ions size-dependent structural phase transition from monazite to zircon-type in rare earth chromates using Raman spectroscopy}, journal = {Journal of Raman Spectroscopy}, volume = {54}, year = {2023}, month = {JUL}, pages = {793-801}, type = {Article}, abstract = {
Rare earth chromates (RCrO4) undergo monazite to zircon-type structural phase transition due to a decreased rare-earth ion size. They also exhibit an intermediate mixed phase. However, there is no systematic study on the influence of structural distortion on their phononic behavior, which is quite sensitive to subtle environmental variations. A change in the room temperature phononic spectrum was studied in the family of RCrO4 compounds, where R was varied from La to Yb using Raman modes. With an increase in the atomic number from Nd to Yb for zircon-type phases, the external translational and rotational modes were observed to shift towards lower and higher wavenumbers, respectively. At the same time, all internal vibrational modes shifted towards higher phonon energies. A comparison between Raman modes for monazite, intermediate, and zircon-type RCrO4 phases showed a gradual shift in the internal modes towards a higher wavenumber. The confirmation of the change in Raman modes with the decreasing radius was found by comparing the rare-earth elements in DyCrO4 and LaCrO4 with non-rare-earth elements in YCrO4.
}, keywords = {monazite-type, Raman spectroscopy, rare earth chromates (RCrO4), YCrO4, zircon type}, issn = {0377-0486}, doi = {10.1002/jrs.6542}, author = {Ughade, Supriya and Poddar, Pankaj} } @article {48953, title = {Tailoring COFs: transforming nonconducting 2D layered COF into a conducting quasi-3D architecture via interlayer knitting with polypyrrole}, journal = {Journal of the American Chemical Society}, volume = {146}, year = {2023}, month = {DEC}, pages = {487-499}, type = {Journal Article}, abstract = {
Improving the electronic conductivity and the structural robustness of covalent organic frameworks (COFs) is paramount. Here, we covalently cross-link a 2D COF with polypyrrole (Ppy) chains to form a quasi-3D COF. The 3D COF shows well-defined reflections in the SAED patterns distinctly indexed to its modeled crystal structure. This knitting of 2D COF layers with conjugated polypyrrole units improves electronic conductivity from 10(-9) to 10(-2 )S m(-1). This conductivity boost is affirmed by the presence of density of states near the Fermi level in the 3D COF, and this elevates the COF{\textquoteright}s valence band maximum by 0.52 eV with respect to the parent 2D pyrrole-functionalized COF, which agrees well with the opto-electro band gaps. The extent of HOMO elevation suggests the predominant existence of a polaron state (radical cation), giving rise to a strong EPR signal, most likely sourced from the cross-linking polypyrrole chains. A supercapacitor devised with COF20-Ppy records a high areal capacitance of 377.6 mF cm(-2), higher than that of the COF loaded with noncovalently linked polypyrrole chains. Thus, the polypyrrole acts as a {\textquoteleft}{\textquoteleft}conjugation bridge{\textquoteright}{\textquoteright} across the layers, lowering the band gap and providing polarons and additional conduction pathways. This marks a far-reaching approach to converting many 2D COFs into highly ordered and conducting 3D ones.
}, keywords = {covalent organic frameworks, Electrical conductivity}, issn = {0002-7863}, doi = {10.1021/jacs.3c09937}, author = {Jain, Chitvan and Kushwaha, Rinku and Rase, Deepak and Shekhar, Pragalbh and Shelke, Ankita and Sonwani, Disha and Ajithkumar, Thalasseril G. and Vinod, Chathakudath Prabhakaran and Vaidhyanathan, Ramanathan} } @article {48819, title = {Tale of two waves: Delineating diverse genomic and transmission landscapes driving the COVID-19 pandemic in Pune, India}, journal = {Journal of Infection and Public Health}, volume = {16}, year = {2023}, month = {AUG}, pages = {1290-1300}, type = {Article}, abstract = {
Background: Modern response to pandemics, critical for effective public health measures, is shaped by the availability and integration of diverse epidemiological outbreak data. Tracking variants of concern (VOC) is integral to understanding the evolution of SARS-CoV-2 in space and time, both at the local level and global context. This potentially generates actionable information when integrated with epidemiological outbreak data.Methods: A city-wide network of researchers, clinicians, and pathology diagnostic laboratories was formed for genome surveillance of COVID-19 in Pune, India. The genomic landscapes of 10,496 sequenced samples of SARS-CoV-2 driving peaks of infection in Pune between December-2020 to March-2022, were determined. As a modern response to the pandemic, a {\textquoteleft}{\textquoteleft}band of five{\textquoteright}{\textquoteright} outbreak data analytics approach was used. This integrated the genomic data (Band 1) of the virus through molecular phylogenetics with key outbreak data including sample collection dates and case numbers (Band 2), demographics like age and gender (Band 3-4), and geospatial mapping (Band 5).Results: The transmission dynamics of VOCs in 10,496 sequenced samples identified B.1.617.2 (Delta) and BA(x) (Omicron formerly known as B.1.1.529) variants as drivers of the second and third peaks of infection in Pune. Spike Protein mutational profiling during pre and post-Omicron VOCs indicated differential rank ordering of high-frequency mutations in specific domains that increased the charge and binding properties of the protein. Time-resolved phylogenetic analysis of Omicron sub-lineages identified a highly divergent BA.1 from Pune in addition to recombinant X lineages, XZ, XQ, and XM. Conclusions: The band of five outbreak data analytics approach, which integrates five different types of data, highlights the importance of a strong surveillance system with high-quality meta-data for understanding the spatiotemporal evolution of the SARS-CoV-2 genome in Pune. These findings have important implica-tions for pandemic preparedness and could be critical tools for understanding and responding to future outbreaks.\& COPY; 2023 Published by Elsevier Ltd on behalf of King Saud Bin Abdulaziz University for Health Sciences. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
}, keywords = {COVID-19, Delta, Omicron, SARS-CoV-2 genomic surveillance, Variant of concern, Whole Genome Sequencing (WGS)}, issn = {1876-0341}, doi = {10.1016/j.jiph.2023.06.004}, author = {Niveditha, Divya and Khan, Soumen and Khilari, Ajinkya and Nadkarni, Sanica and Bhalerao, Unnati and Kadam, Pradnya and Yadav, Ritu and Kanekar, Jugal B. and Shah, Nikita and Likhitkar, Bhagyashree and Sawant, Rutuja and Thakur, Shikha and Tupekar, Manisha and Nagar, Dhriti and Rao, Anjani G. and Jagtap, Rutuja and Jogi, Shraddha and Belekar, Madhuri and Pathak, Maitreyee and Shah, Priyanki and Ranade, Shatakshi and Phadke, Nikhil and Das, Rashmita and Joshi, Suvarna and Karyakarte, Rajesh and Ghose, Aurnab and Kadoo, Narendra and Shashidhara, L. S. and Monteiro, Joy Merwin and Shanmugam, Dhanasekaran and Raghunathan, Anu and Karmodiya, Krishanpal} } @article {48769, title = {Taming the parent oxoborane}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN}, pages = {5894-5898}, type = {Article}, abstract = {
Despite recent advancements in the chemistry of multiply bound boron compounds, the laboratory isolation of the parent oxoborane moiety, HBO has long remained an unsolved and well-recognized challenge. The reaction of 6-SIDipp(.)BH3 [6-SIDipp = 1,3-di(2,6-diisopropylphenyl)tetrahydropyrimidine2-ylidene] with GaCl3 afforded an unusual boron-gallium 3c-2e compound (1). The addition of water to 1 resulted in the release of H-2 and the formation of a rare acid stabilized neutral parent oxoborane, LB(H)]O (2). Crystallographic and density functional theory (DFT) analyses support the presence of a terminal B=O double bond. Subsequent addition of another equivalent of water molecule led to hydrolysis of the B-H bond to the B-OH bond, but the {\textquoteleft}B=O{\textquoteright} moiety remained intact, resulting in the formation of the hydroxy oxoborane compound (3), which can be classified as a monomeric form of metaboric acid.
}, issn = {2041-6520}, doi = {10.1039/d3sc01544k}, author = {Kundu, Gargi and Amrutha, P. R. and Raj, K. Vipin and Tothadi, Srinu and Vanka, Kumar and Sen, Sakya S.} } @article {49083, title = {Targeted metabolite profiling and de novo transcriptome sequencing reveal the key terpene synthase genes in medicinally important plant, Couroupita guianensis Aubl}, journal = {Plant Genetic Resources-Characterization and Utilization}, volume = {21}, year = {2023}, month = {DEC}, pages = {558-570}, type = {Article}, abstract = {
The Lecythidaceae family tree, Couroupita guianensis Aubl, popularly known as Nagpushpa, is a widely cultivated ornamental tree with several uses in traditional medicine. The tree is revered as highly sacred in Indian traditional culture due to its uniquely shaped, fragrant flowers. Considering the significance, we were prompted to carry out the metabolite and transcriptome analysis of Nagapushpa. The flower, petals, stamen, stem and leaf of C. guianensis were metabolically profiled, and it was discovered that the flower tissue contained the highest terpenoid reservoir. A number of terpenoid pathway transcripts were also found in the flower tissue after transcriptome profiling. KEGG pathway mapping was carried out to correlate transcript sequences with the biosynthesis of different types of terpenes. We were able to clone three full-length terpene synthase gene candidates, i.e. monoterpene ocimene synthase, diterpene ent-kaurene synthase and sesquiterpene farnesene synthase. The transcript expression of selected terpene synthase genes was also verified in flower tissue. These cloned sequences were used for in silico structural investigations and protein function prediction at the level of 3D structure. The data presented in this study provide a comprehensive resource for the metabolic and transcriptomic profiles of C. guianensis. The study paves the way towards the elucidation of terpene biosynthetic pathway in C. guianensis and heterologous production of useful terpenoids in the future.
}, keywords = {Couroupita guianensis Aubl, flower, Metabolite profiling, terpene synthases, Transcriptomics}, issn = {1479-2621}, doi = {10.1017/S1479262123000953}, author = {Thulasiram, Hirekodathakallu V. and Karegaonkar, Shrikant Jagannathrao and Sharma, Poojadevi and Kumar, Ashish and Ramkumar, Sudha and Pandreka, Avinash} } @article {48786, title = {Tau aggregates improve the Purinergic receptor P2Y12-associated podosome rearrangements in microglial cells}, journal = {Biochimica Et Biophysica Acta-Molecular Cell Research}, volume = {1870}, year = {2023}, month = {JUN}, pages = {119477}, type = {Article}, abstract = {
Alzheimer{\textquoteright}s disease (AD) is a progressive neurodegenerative disease that is associated with protein misfolding, plaque accumulation, neuronal dysfunction, synaptic loss, and cognitive decline. The pathological cascade of AD includes the intracellular Tau hyperphosphorylation and its subsequent aggregation, extracellular Amyloid-\& beta; plaque formation and microglia-mediated neuroinflammation. The extracellular release of aggregated Tau is sensed by surveilling microglia through the involvement of various cell surface receptors. Among all, purinergic P2Y12R signaling is involved in microglial chemotaxis towards the damaged neurons. Microglial migration is highly linked with membrane-associated actin remodeling leading to the phagocytosis of extracellular Tau species. Here, we studied the formation of various actin structures such as podosome, lamellipodia and filopodia, in response to extracellular Tau monomers and aggregates. Microglial podosomes are colocalized with actin nucleator protein WASP, Arp2 and TKS5 adaptor protein during Tau-mediated migration. Moreover, the P2Y12 receptors were associated with F-actin-rich podosome structures, which signify the potential of Tau aggregates in microglial chemotaxis through the involvement of actin remodeling.
}, keywords = {Alzheimer {\textquoteleft}s disease, Filopodia, microglia, Podosome, Tau aggregates}, issn = {0167-4889}, doi = {10.1016/j.bbamcr.2023.119477}, author = {Chinnathambi, Subashchandrabose and Das, Rashmi and Desale, Smita Eknath} } @article {48454, title = {Template directed synthesis of boron carbon nitride nanotubes (BCN-NTs) and their evaluation for energy storage properties}, journal = {Advanced Materials Interfaces}, volume = {10}, year = {2023}, month = {JAN}, type = {Article}, abstract = {
A unique approach has been applied for the synthesis of 1D boron carbon nitride nanotubes (BCN-NTs) using MnO2 nanowires as templates. BCN-NTs have been evaluated in Na-ion batteries, Li-ion batteries, and supercapacitors as electrode material and exhibited excellent and stable electrochemical performance. BCN-NTs as an anode for Na-ion battery has been shown to be highly stable up to 3000 cycles with capacity retention of 95 mAh g(-1), at a high current density of 1 A g(-1). In the case of the Li-ion battery, these BCN-NTs show a specific capacity of 563 mAh g(-1) at a current density of 50 mA g(-1). Finally, when used as an electrode for a supercapacitor, BCN-NTs display a specific capacity of 221 F g(-1) at a current density of 3 A g(-1) and 168 F g(-1) even at a very high current density of 30 A g(-1) exemplifying the excellent rate performance. The multifunctionality and stable performance of BCN-NTs among various electrochemical energy storage systems highlight the robustness of the material and make it an excellent candidate for scalable production and commercialization.
}, keywords = {1D-nanostructure, boron carbon nitride nanotubes (BCN-NTs), Co-doping, Li-ion battery, Na-ion battery, Supercapacitors}, issn = {2196-7350}, doi = {10.1002/admi.202201560}, author = {Karbhal, Indrapal and Chaturvedi, Vikash and Yadav, Poonam and Patrike, Apurva and Shelke, Manjusha V.} } @article {48737, title = {Tetraalkylammonium-based dicationic ionic liquids (ILs) for CO2 capture}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {JUL }, pages = {12944-12954}, type = {Article}, abstract = {
This investigation includes the synthesis and characterization of a new series of ionic liquids (ILs) based on the tetraalkylammonium dication for the absorption of CO2, a step towards the development of more efficient and sustainable technologies. It was possible to synthesize amine-substituted PEG diacrylate by modifying poly(ethylene glycol) (PEG), which was then quaternized with 1-bromopentane to produce the IL PDBr. The other IL products, PDNTf2, PDBF4 and PDPF6, were synthesized via the metathesis of PDBr with the appropriate salt. The synthesized products were characterized using various techniques, such as FTIR, H-1 and C-13 NMR, elemental analysis, and density and viscosity meters, and evaluated as potential sorbents for CO2 capture. DSC and TGA were used to examine the thermal properties of the ILs. As observed from their thermal degradation behavior, the ILs exhibited two-stage disintegration with thermal stability up to 150 \& DEG;C. The pressure drop method was used to study the sorption capacity of the ILs towards CO2. The sorption investigation showed that when the pressure is increased, the CO2 absorption increases. Equilibrium is reached in 40 minutes, demonstrating a rapid absorption rate. The IL with the [BF4](-) anion (PDBF4) demonstrated a maximum sorption capacity of 0.577 mole fraction of CO2, and can be regenerated and reused efficiently with less than 0.5\% variation from its original absorption capacity. The CO2 absorption capacity for the ILs with other anions follows the trend: Br \& AP; NTf2 \< PF6 \< BF4. This work shows that tetraalkylammonium-based dicationic ILs are adaptable, making them a suitable material for many applications, including sustainable CO2 capture technology.
}, issn = {1144-0546}, doi = {10.1039/d3nj01552a}, author = {Kulkarni, Prashant S. and Ranjane, Prathamesh and Mishra, Karun and Sundararajan, Swati and Kamble, Sanjay} } @article {48307, title = {TGF-beta 1 signalling in Alzheimer{\textquoteright}s pathology and cytoskeletal reorganization: a specialized Tau perspective}, journal = {Journal of Neuroinflammation}, volume = {20}, year = {2023}, month = {MAR}, pages = {72}, type = {Review}, abstract = {
Microtubule-associated protein, Tau has been implicated in Alzheimer{\textquoteright}s disease for its detachment from microtubules and formation of insoluble intracellular aggregates within the neurons. Recent findings have suggested the expulsion of Tau seeds in the extracellular domain and their prion-like propagation between neurons. Transforming Growth Factor-beta 1 (TGF-beta 1) is a ubiquitously occurring cytokine reported to carry out immunomodulation and neuroprotection in the brain. TGF-beta-mediated regulation occurs at the level of neuronal survival and differentiation, glial activation (astrocyte and microglia), amyloid production-distribution-clearance and neurofibrillary tangle formation, all of which contributes to Alzheimer{\textquoteright}s pathophysiology. Its role in the reorganization of cytoskeletal architecture and remodelling of extracellular matrix to facilitate cellular migration has been well-documented. Microglia are the resident immune sentinels of the brain responsible for surveying the local microenvironment, migrating towards the beacon of pertinent damage and phagocytosing the cellular debris or patho-protein deposits at the site of insult. Channelizing microglia to target extracellular Tau could be a good strategy to combat the prion-like transmission and seeding problem in Alzheimer{\textquoteright}s disease. The current review focuses on reaffirming the role of TGF-beta 1 signalling in Alzheimer{\textquoteright}s pathology and cytoskeletal reorganization and considers utilizing the approach of TGF-beta-triggered microglia-mediated targeting of extracellular patho-protein, Tau, as a possible potential strategy to combat Alzheimer{\textquoteright}s disease.
}, keywords = {Alzheimer{\textquoteright}s disease, Cytoskeleton reorganization, Extracellular Tau, microglia, TGF-beta, TGF-beta 1}, doi = {10.1186/s12974-023-02751-8}, author = {Kapoor, Mahima and Chinnathambi, Subashchandrabose} } @article {48809, title = {Theory-directed designing of an intrinsic-activity-modulated metal-doped copper oxide electrode for nitrate to ammonia synthesis}, journal = {ACS Applied Energy Materials}, volume = {6}, year = {2023}, month = {MAY}, pages = {6111-6119}, type = {Article}, abstract = {
Synthesis of ammonia via electrochemical reduction ofnitrate isone of the most sustainable routes both for environmental protectionas well as energy saving initiatives. However, this process is limitedto the development of high-performance free-standing catalytic electrodeswith improved selectivity and Faradaic efficiency. Herein, we reporttheory-guided designing and fabrication of free-standing non-noblemetal (Mn, Fe, and Co)-doped copper oxide (CuO) electrodes by usinga simple and scalable electrode preparation method. The density functionaltheory (DFT)-based calculations show that the doped-Co sites in theCu surface facilitate the generation and supply of H+ tothe adsorbed NO3 (-) during the reductionprocess; as a result, the Co-CuO catalyst displays higher selectivitytoward nitrate reduction. The Co-doped Cu electrode (Co-CuO)delivers a higher NH3 yield (5492 mu g cm(-2)) at a reduction potential of -0.91 V vs RHE while maintaininga Faradaic efficiency of \>95\%. The alloying of Co to the coppermetalnot only facilitates the proton donation to the adsorbed reactant(NO3 (-)) but also tunes the Cu d-center,resulting in the active site modulation responsible for the activationof catalysts.
}, keywords = {Active sites, ammonia synthesis, electrocatalysis, Faradaic efficiency, High selectivity, metal-doped electrode}, issn = {2574-0962}, doi = {10.1021/acsaem.3c00617}, author = {Tyagi, Nitin Kumar and Mahapatra, Bikash K. and Ghimire, Suvash and Manna, Narugopal and Kumar, Deepak and Kumar, Vijay and Mukhopadhyay, Kausik and Singh, Santosh K.} } @article {48758, title = {Thermally activated delayed fluorescent solvent-free organic liquid hybrids for tunable emission applications}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {JUL }, type = {Article}, abstract = {
The synthetic feasibility and excellent luminescence features of organic molecules attracted much attention and were eventually found useful in lighting applications. In this context, a solvent-free organic liquid having attractive thermally activated delayed fluorescence features in bulk along with high processability has prime importance. Herein, we report a series of naphthalene monoimide-based solvent-free organic liquids exhibiting cyan to red thermally activated delayed fluorescence with luminescence quantum yields up to 80\% and lifetimes between 10 to 45 mu s. An effective approach explored energy transfer between liquid donors with various emitters exhibiting tunable emission colors, including white. The high processability of liquid emitters improved the compatibility with polylactic acid and was used for developing multicolor emissive objects using 3D printing. Our demonstration of the thermally activated delayed fluorescence liquid will be much appreciated as a processable alternate emissive material suitable for large-area lighting, display, and related applications.
}, keywords = {3D printing, Energy Transfer, OLED, Organic Liquids, TADF}, issn = {1861-4728}, doi = {10.1002/asia.202300276}, author = {Nidhankar, Aakash D. D. and Goudappagouda and Kothavade, Premkumar D. and Dongre, Sangram D. and Veer, Sairam Dnyaneshwar and Dash, Soumya Ranjan and Rajeev, Kavya and Unni, K. N. Narayanan and Shanmuganathan, Kadhiravan and Babu, Sukumaran Santhosh} } @article {48332, title = {Thermally constructed stable Zn-doped NiCoOx-z alloy structures on stainless steel mesh for efficient hydrogen production via overall hydrazine splitting in alkaline electrolyte}, journal = {Journal of Colloid and Interface Science}, volume = {640}, year = {2023}, month = {JUN }, pages = {737-749}, type = {Article}, abstract = {
Hydrogen has a high energy density of approximately 120 to 140 MJ kg(-1), which is very high compared to other natural energy sources. However, hydrogen generation through electrocatalytic water splitting is a high electricity consumption process due to the sluggish oxygen evolution reaction (OER). As a result, hydrogen generation through hydrazine-assisted water electrolysis has recently been intensively investigated. The hydrazine electrolysis process requires a low potential compared to the water electrolysis process. Despite this, the utilization of direct hydrazine fuel cells (DHFCs) as portable or vehicle power sources necessitates the development of inexpensive , effective anodic hydrazine oxidation catalysts. Here, we prepared oxygen-deficient zinc-doped nickel cobalt oxide (Zn-NiCoOx-z) alloy nanoarrays on stainless steel mesh (SSM) using a hydrothermal synthesis method followed by thermal treatment. Furthermore, the prepared thin films were used as electrocatalysts , the OER and hydrazine oxidation reaction (HzOR) activities were investigated in three-and two-electrode systems. In a three-electrode system, Zn-NiCoOx-z/SSM HzOR requires-0.116 V (vs RHE) potential to achieve a 50 mA cm(-2) current density, which is dramatically lower than the OER potential (1.493 V vs RHE). In a two-electrode system (Zn-NiCoOx-z/SSM(-)IIZn-NiCoOx-z/SSM(+)), the overall hydrazine splitting potential (OHzS) required to reach 50 mA cm(-2) is only 0.700 V, which is dramatically less than the required potential for overall water splitting (OWS). These excellent HzOR results are due to the binder-free oxygen-deficient Zn-NiCoOx-z/ SSM alloy nanoarray, which provides a large number of active sites and improves the wettability of cat-alysts after Zn doping. (C) 2023 Elsevier Inc. All rights reserved.
}, keywords = {Hydrazine Oxidation Reaction, hydrogen evolution reaction, Oxygen Evolution Reaction, Oxygen-Deficient Materials, Zinc Doping}, issn = {0021-9797}, doi = {10.1016/j.jcis.2023.02.142}, author = {Kashale, Anil Ashok and Rasal, Akash Sanjay and Hsu, Fei-Chien and Chen, ChangChun and Kulkarni, Sayali Nitin and Chang, Chun Hao and Chang, Jia-Yaw and Lai, Yuekun and Chen, I. -Wen Peter} } @article {48725, title = {Thermodynamic modulation of folding and aggregation energy landscape by DNA binding of functional domains of TDP-43}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1871}, year = {2023}, month = {JUL }, pages = {140916}, type = {Article}, abstract = {
TDP-43 is a vital nucleic acid binding protein which forms stress-induced aberrant aggregates in around 97\% cases of ALS, a fatal neurodegenerative disease. The functional tandem RRM domain of the protein (TDP-43tRRM) has been shown to undergo amyloid-like aggregation under stress in a pH-dependent fashion. However, the underlying thermodynamic and molecular basis of aggregation and how the energy landscape of folding, stability, and aggregation are coupled and modulated by nucleic acid binding is poorly understood. Here, we show that the pH stress thermodynamically destabilizes the native protein and systematically populates the unfoldedlike aggregation-prone molecules which leads to amyloid-like aggregation. We observed that specific DNA binding inhibits aggregation and populates native-like compact monomeric state even under low-pH stress as measured by circular dichroism, ANS binding, size exclusion chromatography, and transmission electron microscopy. We show that DNA-binding thermodynamically stabilizes and populates the native state even under stress and reduces the population of unfolded-like aggregation-prone molecules which leads to systematic aggregation inhibition. Our results suggest that thermodynamic modulation of the folding and aggregation energy landscape by nucleic-acid-like molecules could be a promising approach for effective therapeutic intervention in TDP-43-associated proteinopathies.
}, keywords = {Amyloid-like aggregation, Nucleic acid binding, RNA recognition motifs (RRMs), TDP-43, Thermodynamic stability}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2023.140916}, author = {Patni, Divya and Jha, Santosh Kumar} } @article {48986, title = {Ti3C2Tx-Nb2Mo3O14 composite as novel anode to realize high power density combined with high stability in a hybrid lithium-ion capacitor}, journal = {Energy Technology }, volume = {11}, year = {2023}, month = {DEC}, type = {Article}, abstract = {
Lithium-ion capacitors (LICs), with their higher energy density at high power capability, stand out as the future generation of energy-storage devices. Herein, the nanocomposite of Ti3C2Tx MXene with Nb2Mo3O14 is prepared by a one-step hydrothermal method and studied as an electrode material for LIC. The asfabricated composite MXene niobium molybdenum oxide (MXNMO) achieves a high reversible capacity of 205 mAh g(-1) at 100 mA g(-1) current density with outstanding cyclability. Further, asymmetric LIC full-cell device composed of MXNMO anode with supercapacitor grade activated carbon as a cathode delivers an energy density of 37.8 Wh kg(-1) (0.25 A g(-1)) and a higher power density of 4244 W kg(-1) (5 A g(-1)) along with the excellent durability showing 85\% capacitance retention over 4000 cycles at 0.5 A g(-1).
}, keywords = {lithium-ion capacitors, MXene, niobium molybdenum oxides, pseudocapacitive anode materials}, issn = {2194-4288}, doi = {10.1002/ente.202300298}, author = {Pawar, Meenakshi D. and Thripuranthaka, Marulasiddappa and Patrike, Apurva and Deshmukh, Ashvini B. and Chaturvedi, Vikash and Krishnan, Arun and Shivade, Rajkiran and Shelke, Manjusha V.} } @article {48262, title = {Ti-iminocarboxylate catalyzed polymerization of ethylene to highly crystalline, disentangled, ultrahigh molecular weight polyethylene}, journal = {European Polymer Journal}, volume = {182}, year = {2023}, month = {JAN }, pages = {111725}, type = {Article}, abstract = {
Disentangled ultrahigh molecular weight polyethylene (d-UHMWPE) is a niche, highly sought-after, and an emerging class of polyethylene. However, the synthesis of d-UHMWPE is uncommon and is equally challenging. Here, we report a Ti-iminocarboxylate complex that produces d-UHMWPE under ambient polymerization conditions. Treatment of tetrakis(dimethylamido-titanium) [Ti(NMe2)4] with 2-((4-methoxybenylidene)amino)benzoic acid produced a novel titanium complex Cat.1 [bis-dimethylamido-Ti-(bis-iminocarboxylate)]. The identity of Cat.1 was unambiguously ascertained using a combination of 1-2D NMR spectroscopy and mass analysis. Cat.1 was activated using various cocatalysts, and MMAO (modified methylaluminoxane) outperformed the others. Screening of polymerization parameters suggested an Al/Ti ratio of 1000, 4 bar ethylene pressure, 35 degrees C temperature, and a polymerization time of 30 min as the optimal condition. Under the optimized polymerization conditions, Cat.1 polymerizes ethylene to ultrahigh molecular weight polyethylene with a weight average molecular weight (Mw) of 2.5 x 106 g/mol. The thermal behavior of the thus prepared material disclosed a highly crystalline [crystallinity chi (DSC) 96 \%], strictly linear polyethylene. Detailed thermal analysis of the nascent polyethylene using a specifically designed DSC method revealed the existence of a high melting peak at 139-140 degrees C, which is a hallmark of disen-tangled UHMWPE. Thus, a homogeneous, single-site ethylene polymerization catalyst has been developed, which upon activation with MMAO produced highly crystalline d-UHMWPE.
}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2022.111725}, author = {Bodkhe, Dnyaneshwar V. and Chikkali, Samir H.} } @article {48342, title = {Titanium trisulfide nanosheets and nanoribbons for field emission- based nanodevices}, journal = {ACS Applied Nano Materials}, volume = {6}, year = {2023}, month = {JAN}, pages = {44-49}, type = {Article}, abstract = {
The field emission (FE) properties of TiS3 nanosheets and nanoribbons, synthesized by direct sulfuration of bulk titanium, are investigated. The nanosheets show an enhanced FE behavior with a low turn-on field of similar to 0.3 V/ mu m, required for drawing an emission current density of similar to 10 mu A/cm2. Interestingly, the TiS3 nanosheet emitter delivered a large emission current density of similar to 0.9 mA/ cm2 at a relatively low applied electric field of similar to 0.4 V/mu m. We have estimated the values of the field enhancement factor (beta), which are found to be similar to 5 x 104 for the TiS3 nanosheet emitter and similar to 4 x 103 for the nanoribbon emitter. We attribute the superior FE performance to the presence of atomically sharp edges and the reduced thickness of TiS3, as reflected in the high value of beta. In fact, the nanosheet sample presents a higher density of ultrathin layers (similar to 12 nm-thick), and thus, they have a larger edge to volume ratio than the nanoribbon samples (which are similar to 19 nm-thick). The superior FE behavior of TiS3 nanosheets over nanoribbons makes them a propitious field emitter and can be utilized for various FE-based applications, demanding large emission currents and lower operational voltages. Moreover, the FE current stability recorded on these samples confirms their promising performance. Thus, the present investigation brings out a great promise of TiS3 nanosheets and nanoribbons as field emitters for vacuum nanoelectronics devices.
}, keywords = {Current stability, field emission, nanoribbon, nanosheets, TiS3}, doi = {10.1021/acsanm.2c03460}, author = {Pawbake, Amit S. and Khare, Ruchita T. and Island, Joshua O. and Flores, Eduardo and Ares, Jose R. and Sanchez, Carlos and Ferrer, Isabel J. and Pawar, Mahendra and Frank, Otakar and More, Mahendra A. and van der Zant, Herre S. J. and Castellanos-Gomez, Andres and Late, Dattatray J.} } @article {48773, title = {Topological phases in nanoparticle monolayers: can crystalline, hexatic, and isotropic-fluid phases coexist in the same monolayer?}, journal = {Soft Matter}, volume = {19}, year = {2023}, month = {OCT }, pages = {7271-7280}, type = {Article}, abstract = {
Topological phases are stable configurations of matter in 2-dimensions (2D) formed via spontaneous symmetry breaking. These play a crucial role in determining the system properties. Though a number of fundamental studies on topological phase transitions and topological defect dynamics have been conducted with model colloidal systems (typically microns in size), the same is lacking on nanoparticle monolayers (NPMLs, typically made of ligand-coated sub-ten nanometer particles). Here, we show that in an evaporation-driven self-assembly process, the three topological phases, namely crystalline, hexatic, and isotropic-fluid phases, can coexist within the same NPML. We associate this coexistence with the local variation in particle size, which can be described by a unique frequency parameter (p(25)), quantifying the fraction of NPs that has size deviation greater than or equal to 25\% of the mean size (where the deviation,f is defined as f = ((|Size-mean|)/mean)). The p(25)-values for the three phases are distinctly different: crystalline arrangement occurs when p(25) \< similar to 0.02, while a hexatic phase exists for 0.02 \<= p(25) \<= 0.1. For p(25) Z 0.1, the isotropic-fluid phase occurs. Following KTHNY-theory, we further numerically extrapolate the occurrence of each phase to the accumulated excess planar strain in the NPML due to the presence of various topological defects in the structures.
}, issn = {1744-683X}, doi = {10.1039/d3sm00290j}, author = {Bhattacharjee, Kaustav and Vaidya, Salil S. and Pathak, Tushar and Shimpi, Jayesh R. and Prasad, Bhagavatula L. V.} } @article {48788, title = {Total and diverted total synthesis of pyrrolo-quinazolinone alkaloids and their analogues}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {SEP }, pages = {e202301818}, type = {Article}, abstract = {
A short and expeditious total and diverted total synthesis of luotonin, vasicinone, and their analogues has been achieved from the key tricyclic quinazolinone intermediate which was accessed from simple substituted anthranilamide obtained from the coupling of \& beta;-alanate with isatoic anhydride followed by Dieckmann condensation chemistry of the resulting diester. The tricyclic ketone exhibited interesting chemical properties, e. g. keto-enol tautomerism. Friedlander condensation and Fischer-Indolization were employed for further annulations to access polycyclic alkaloids and their analogues. A short and expeditious total and diverted total synthesis of Luotonin, Vasicinone, and their analogues has been achieved from the key tricyclic quinazolinone ketone that was accessed via Dieckmann condensation chemistry of the diester which was in turn obtained from the isatoic anhydride followed by cyclodehydration. The keto-enol tautomerism of the tricyclic ketone has been studied through 1H NMR. Friedlander condensation and Fischer-Indolization were employed for further annulations on to the tricyclic ketone to yield luotonins and nor-rutaecarpines in good yields.image
}, keywords = {Luotonin, Quinazolinone, Rutaecarpine, Total synthesis, Vasicinone}, issn = {2365-6549}, doi = {10.1002/slct.202301818}, author = {Rasapalli, Sivappa and Huang, Yanchang and Sammeta, Vamshikrishna Reddy and Alshehry, Reem and Anver, Fazmina and Shivasankar, Krishnamoorthy and Chavan, Subash P.} } @article {48801, title = {Total synthesis and absolute configuration determination of the α-glycosidase inhibitor (3S,4R)-6-Acetyl-3-hydroxy-2,2-dimethylchroman-4-yl (Z)-2-Methylbut-2-enoate from Ageratina grandifolia}, journal = {Journal of Natural Products}, volume = {86}, year = {2023}, month = {JUN}, pages = {1878-1883}, type = {Article}, abstract = {
Herein, we report the first total synthesis of \& alpha;-glycosidaseinhibitor (3R, 4S)-6-acetyl-3-hydroxy-2,2-dimethylchroman-4-yl(Z)-2-methylbut-2-enoate as well as its enantiomer.Our synthesis confirms the chromane structure separately proposedby Navarro-Vazquez and Mata, on the basis of DFT computations. Furthermore,our synthesis allowed us to determine the absolute configuration ofthe natural compound as (3S, 4R)and not (3R, 4S).
}, issn = {0163-3864}, doi = {10.1021/acs.jnatprod.3c00236}, author = {Dandawate, Monica and Choudhury, Rahul and Krishna, Gamidi Rama and Reddy, D. Srinivasa} } @article {48668, title = {Total synthesis, structure elucidation and expanded bioactivity of icosalide A: effect of lipophilicity and ester to amide substitution on its bioactivity}, journal = {Organic \& Biomolecular Chemistry}, volume = {21}, year = {2023}, month = {JUL}, pages = {5725-5731}, type = {Article}, abstract = {
The first total synthesis of icosalide A, an antibacterial depsipeptide that is unique in that it contains two lipophilic beta-hydroxy acids, has been achieved by following Fmoc solid-phase peptide synthesis in combination with solution-phase synthesis. The ambiguity in the absolute stereochemistry of icosalide A has been resolved by synthesizing the reported structures and other relevant diastereomers of icosalides and comparing their NMR data. NMR-based structure elucidation of icosalide A revealed a well-folded structure with cross-strand hydrogen bonds similar to the anti-parallel beta-sheet conformation in peptides and displayed a synergistic juxtaposition of the aliphatic sidechains. 12 analogues of icosalide A were synthesized by varying the constituent lipophilic beta-hydroxy acid residues, and their biological activities against Bacillus thuringiensis and Paenibacillus dendritiformis were explored. Most of these icosalide analogues showed an MIC of 12.5 \& mu;g mL(-1) against both bacteria. Swarming inhibition by icosalides was least in B. thuringiensis (8.3\%) compared to that in P. dendritiformis (33\%). Furthermore, this is the first report of icosalides showing assured inhibitory action (MIC between 2 and 10 \& mu;g mL(-1)) against the active stage of Mycobacterium tuberculosis and cancer cell lines such as HeLa and ThP1. This study could help optimize icosalides for anti-TB, antibacterial, and anti-cancer activities.
}, issn = {1477-0520}, doi = {10.1039/d3ob00809f}, author = {Dangi, Abha and Pande, Bharat and Agrawal, Sonia and Sarkar, Dhiman and Vamkudoth, Koteswara Rao and Marelli, Udaya Kiran} } @article {48806, title = {Transient response to perturbations in flow synthesis of citrate capped gold nanoparticles}, journal = {Biochemical Engineering Journal}, volume = {470}, year = {2023}, month = {AUG}, pages = {143890}, type = {Article}, abstract = {
This work reports the transient behavior of continuous flow synthesis of gold nanoparticles (Au NPs) when subjected to perturbations in operating conditions using controlled experiments. The intricacies are captured through a detailed mathematical model. Reversed Turkevich protocol was used for synthesis of Au NPs. The synthesis was first studied in batch mode to investigate the reaction kinetics and reproducibility of the process. The optimal set of operating conditions viz., residence time, flow rate, temperature was then used for flow synthesis in a 2 m, 1/16 \& DPRIME;Polytetrafluoroethylene (PTFE) reactor with micromixer. Reactor clogging was avoided by using segmented flow. Inline UV measurement was used for real time monitoring of the process. Transient experiments were performed by abruptly changing the operating conditions. A mathematical model was found to be accurate in predicting the transient behavior of the exit precursor concentration and the particle size for unsteady state synthesis. Even a small change in process variables for short duration was found to disturb the quality of Au NPs for a significantly longer duration. Of the three operating parameters, the effect of temperature variation was seen to have a prolonged effect where the system remained in unsteady state for long time.
}, keywords = {continuous flow synthesis, gold nanoparticles, Particle size, segmented flow, Unsteady behavior}, issn = {1385-8947}, doi = {10.1016/j.cej.2023.143890}, author = {Bari, Atul H. and Shukla, Neerja and Gavriilidis, Asterios and Kulkarni, Amol A.} } @article {48306, title = {Trehalose transporter-like gene diversity and dynamics enhances stress response and recovery in Helicoverpa armigera}, journal = {Gene}, volume = {862}, year = {2023}, month = {APR}, pages = {147259}, type = {Article}, abstract = {
Trehalose is a primary sugar and its distribution across the insect body, regulated by trehalose transporters (TRETs), is essential for sugar metabolism and energy homeostasis. The large diversity of Tret-like sugar trans-porters (ST), belonging to SLC2A transporter family, in polyphagous insects probably contributes to their extremely adaptive nature. We aim to study spatio-temporal expression dynamics and functional relevance of ST transcript variants in the lepidopteran model organism, Helicoverpa armigera. Identification of 69 putative Tret-like HaST transcript variants from databases and their digital gene expression analysis indicated tissue and development-specific expression patterns. Phylogenetic and sequence similarity network analysis of HaSTs signify evolutionary divergence, while motif and structure analysis depicted conserved signatures. In vitro gene expression validation for selected genes depicts that HaST09 and 69 are fat body and haemolymph-specific. While, HaST06, 30, 36 and 57 are developmental stage or sex-specific. HaST69 has high expression in the haemolymph of fifth instar larvae. In the presence of trehalose metabolism inhibitors and abiotic stress, HaSTs expression show dysregulation, indicating their possible association with trehalose metabolism and stress re-covery. In vivo gene silencing of HaST69 resulted in reduced trehalose accumulation in the insect body, sug-gesting its plausible role in sugar metabolism. The overall understanding of HaST diversity and expression dynamics highlights their putative roles in sugar transport during adaptation and stress recovery of insects.
}, keywords = {Gene expression, Helicoverpa armigera, Stress, Transporter-like, trehalose}, issn = {0378-1119}, doi = {10.1016/j.gene.2023.147259}, author = {Tellis, Meenakshi B. and Chaudhari, Bhagyashri Y. and Deshpande, Shweta V. and Nikam, Sanika V. and Barvkar, Vitthal T. and Kotkar, Hemlata M. and Joshi, Rakesh S.} } @article {48274, title = {Ultra-fast electro-reduction and activation of graphene for high energy density wearable supercapacitor asymmetrically designed with MXene}, journal = {Carbon}, volume = {203}, year = {2023}, month = {JAN}, pages = {191-201}, type = {Article}, abstract = {
Controlled perforation of graphene is vital to surpass the performance of supercapacitors that rely on their pristine form. However, their practical utilization has been halted by energy-inefficient and lengthy processing. Here, we are reporting a pulse Joule heating strategy for on-site reduction and activation to realize a multimodal porous framework made of perforated graphene using millisecond current pulses. The multimodal porosity and surface functionalities of graphene were regulated at an ultrafast rate by passing a transient current. Asdeveloped ready-to-use electrode composed of nano-to-macro multimodal porosity displays high areal capacitance of 380.2 mF cm-2 in symmetric two-electrode configuration, which is nearly 1.6 times higher than the nonelectro activated counterpart. Furthermore, a high-performance wearable asymmetric supercapacitor with an areal energy density of 107.8 mu Wh cm-2 was realized using this multimodal porous graphene in combination with suitable negative electrodes made of MXene. High energy density, together with stable and repeatable performance of the wearable device for 10000 cycles of charge-discharge and 5000 cycles of bending, signifies the importance of the as-developed device for practical wearable applications. Direct, simple processing of electrodes and orders of magnitude lower cost-and-processing-time can make the process appealing for practical wearable and other energy storage applications.
}, keywords = {asymmetric supercapacitor, Graphene activation, Joule heating, Solid-state supercapacitor, Wearable device}, issn = {0008-6223}, doi = {10.1016/j.carbon.2022.11.054}, author = {Karim, Golam Masud and Dutta, Pronoy and Majumdar, Abhisek and Patra, Amalika and Deb, Sujit Kumar and Das, Snehasish and Dambhare, Neha V. and Rath, Arup K. and Maiti, Uday Narayan} } @article {48455, title = {Ultrafast spectroscopy of plasmons and free carriers in 2D MXenes}, journal = {Advanced Materials}, volume = {35}, year = {2023}, month = {FEB}, type = {Article}, abstract = {
2D MXenes have diverse and chemically tunable optical properties that arise from an interplay between free carriers, interband transitions, and plasmon resonances. The nature of photoexcitations and their dynamics in three different members of the MXene family, Ti3C2, Mo2Ti2C3, and Nb2C, are investigated using two complementary pump-probe techniques, transient optical absorption, and time-resolved terahertz (THz) spectroscopy. Measurements reveal pronounced plasmonic effects in the visible and near-IR in all three. Optical excitation, with either 400 or 800 nm pulses, results in a rapid increase in lattice temperature, evidenced by a pronounced broadening of the plasmon mode that presents as a plasmon bleach in transient absorption measurements. Observed kinetics of plasmon bleach recovery provide a means to monitor lattice cooling. Remarkably slow cooling, proceeding over hundreds of picoseconds to nanoseconds time scales, implies MXenes have low thermal conductivities. The slowest recovery kinetics are observed in the MXene with the highest free carrier density, viz. Ti3C2, that supports phonon scattering by free carriers as a possible mechanism limiting thermal conductivity. These new insights into photoexcitation dynamics can facilitate their applications in photothermal solar energy conversion, plasmonic devices, and even photothermal therapy and drug delivery.
}, keywords = {2D properties, MXenes, Optical properties, plasmons, ultrafast spectroscopy}, issn = {0935-9648}, doi = {10.1002/adma.202208659}, author = {Colin-Ulloa, Erika and Fitzgerald, Andrew and Montazeri, Kiana and Mann, Javery and Natu, Varun and Ngo, Ken and Uzarski, Joshua and Barsoum, Michel W. and Titova, Lyubov V.} } @article {48467, title = {Ultrasound assisted green protocol for the synthesis of quinoxaline based bisspirooxindoles: crystal structure analysis, enone umpolung, DFT calculations, anti-cancer activity, and molecular docking studies}, journal = {Synthetic Communications}, volume = {53}, year = {2023}, month = {JUN}, pages = {835-854}, type = {Article}, abstract = {
A series of novel quinoxaline based bisspirooxindolo-pyrrolizidines were synthesized through 1,3-dipolar cycloaddition under ultrasonication with shorter reaction time and good yields. The compounds were well characterized by various spectroscopic methods and finally single crystal X-ray diffraction method (4c, 4d). DFT energy calculations confirm the regioselectivity due to enone umpolung effect. The in vitro anti-cancer activity of the synthesized compounds (4a-s) shows that the compounds 4g and 4q exhibited good anti-cancer activity with IC50 values14.51 +/- 1.1 and 11.36 +/- 0.23 mu M against DU-145 prostate cancer cell line; and 16.78 +/- 0.95 and 14.28 +/- 0.64 mu M against Hela cervical cancer cell lines when compared to the standard anti-cancer drug doxorubicin (1.75 +/- 0.06 and 1.35 +/- 0.09 mu M). In silico molecular docking studies indicated that the synthesized compounds may serve as a potential lead for the further development of novel anti-cancer agents.
}, keywords = {Anti-cancer activity, bisspirooxindoles, DFT calculations, Hirshfeld surface, ultrasonication}, issn = {0039-7911}, doi = {10.1080/00397911.2023.2199360}, author = {Baddepuri, Sravanthi and Allaka, Bhargava Sai and Gamidi, Rama Krishna and Faizan, Mohmmad and Pawar, Ravinder and Basavoju, Srinivas} } @article {48296, title = {Ultrasound assisted synthesis of spirooxindolo-1,2,4-oxadiazoles via [3+2] cycloaddition reaction and their anti-cancer activity}, journal = {ARKIVOC}, year = {2023}, month = {MAY}, pages = {S1-S46}, type = {Article}, issn = {1551-7004}, author = {Kanchrana, Madhu and Allaka, Bhargava Sai and Krishna, Gamidi Rama and Basavoju, Srinivas} } @article {48917, title = {Understanding critical aspects of liposomal synthesis for designing the next generation targeted drug delivery vehicle}, journal = {Chemistryselect}, volume = {8}, year = {2023}, month = {OCT }, type = {Article}, abstract = {
We identified process parameters of the thin film hydration technique and intrinsic factors to synthesize liposomes for drug delivery. The thin film formation step impacted the nature of the lipid layer, and we optimized 240 RPM rotation speed, 700 mm of Hg vacuum pressure, and 2 ml of chloroform as the organic solvent. The hydration step controlled the particle specifications, and we optimized 270 RPM rotation speed, PBS as the hydrating medium, and 1 h hydration time. We obtained a comparatively smaller liposomal population with a lower size distribution just after hydrating the lipid layer that required milder downsizing steps -10 extrusion passes through a single polycarbonate membrane. The intrinsic factors including the concentrations and molar ratio of lipids affected the synthesis steps and the particle specifications. Characterization of liposomes by analytical techniques confirmed the synthesis of a monodisperse population with hydrodynamic diameter\<150 nm, moderate stability, spherical morphology, and high thermal and storage stability. This comprehensive study defines the role of every parameter, provides a mechanistic insight into synthesis that is supported by experimental data, and helps tune specific parameters to synthesize liposomes for drug delivery or any application with desired specifications.
}, keywords = {carrier system, designing and characterization, drug delivery, liposomes, targeting moiety}, issn = {2365-6549}, doi = {10.1002/slct.202302435}, author = {Moudgil, Aliesha and Chaudhari, Bhushan P.} } @article {48325, title = {Understanding the mechanism of amylin aggregation: From identifying crucial segments to tracing dominant sequential events to modeling potential aggregation suppressors}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1871}, year = {2023}, month = {JAN }, pages = {140866}, type = {Article}, abstract = {
One of the most abundant, prevailing, and life-threatening human diseases that are currently baffling the scientific community is type 2 diabetes (T2D). The self-association of human amylin has been implicated in the pathogenesis of T2D, though with an inconclusive understanding of the mechanism. Hence, we focused on the characterization of the conformational ensembles of all the species that are believed to define the structural polymorphism of the aggregation process - the functional monomeric, the initially self-associated oligomeric, and the structured protofibril - by employing near-equilibrium, non-equilibrium, and equilibrium atomistic simulations on the sporadic, two familial variants (S20G and G33R), and their proline-substituted forms (S20P and G33P). The dynamic near-equilibrium assays hint toward - the abundance of helical conformation in the monomeric state, the retainment of the helicity in the initial self-associated oligomeric phase pointing toward the existence of the helix-helix association mechanism, the difference in preference of specific segments to have definite secondary structural features, the phase-dependent variability in the dominance of specific segments and mutation sites, and the simultaneous presence of generic and unique features among various sequences. Furthermore, the non-equilibrium pulling assays exemplify a generic sequential unzipping mechanism of the protofibrils, however, the sequence-dependent uniqueness comes from the difference in location and magnitude of the control of a specific terminus. Importantly, the equilibrium thermodynamic assays efficiently rank order the potential of aggregability among sequences and consequently suggests the probability of designing effective aggregation suppressors against sporadic and familial amylin variants incorporating proline as the mutation.
}, keywords = {Aggregation mechanism, Bridging information, Conformational polymorphism, Generic suppressor, Helix -driven association, Structural reorganization}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2022.140866}, author = {Ghosh, Ritama and Ghosh, Shreyan and Das, Atanu} } @article {48706, title = {Understanding the nucleation and growth kinetics of the microwave-assisted synthesis of silver nanowires}, journal = {Industrial \& Engineering Chemistry Research}, volume = {62}, year = {2023}, month = {SEP }, pages = {14199-14211}, type = {Article}, abstract = {
Here, we present a detailed study of understanding the nucleation and growth kinetics of silver nanowire synthesis under microwave irradiation. The approach includes studying the effect of various parameters (viz., microwave power, reaction temperature, reaction time, substrate concentration, etc.) on the rate of nucleation and growth, as well as on the yield and morphology of silver nanowires. It is found that microwave power is the most important factor in leading to almost complete conversion of the substrate along with high aspect ratio nanowires in a short reaction time. Based on the observations, here, we have proposed a three-step growth kinetics mechanism for the synthesis of silver nanowires under the influence of microwaves. The approach comprises the autocatalytic growth of stable multiple twin particles after the nucleation process and their unidirectional growth to form nanowires. The FW autocatalytic model and the JMAK Avrami model were used to validate the proposed mechanism of AgNW formation based on our experimental results. The model predictions match very well with the conversion and yield of AgNWs. At the optimized conditions, wires with a 42 nm diameter and 94\% yield were achieved within 4 min.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c00322}, author = {Sonawane, Jayesh R. and Patil, Suneha and Kulkarni, Amol A.} } @article {48286, title = {Understanding the stability of an unprecedented Si-Be bond within quantum confinement}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {APR}, pages = {14814-14822}, type = {Article}, abstract = {
As of today, the Si-Be bond remains underexplored in the literature, and therefore its anomalous behavior continues to be an unsolved puzzle to date. Therefore, the present study aims at evaluating the integrity of an unprecedented Si-Be bond within quantum confinement. To accomplish this, first-principles-based calculation are performed on Be-doped silicon clusters with atomic sizes 6, 7, and 10. Silicon clusters are sequentially doped with one, two, and three Be atoms, and their thermal response is registered in the temperature range of 200-1500 K, which discloses several research findings. During the course of the simulations, the clusters face various thermal events such as solid cluster phase, rapid structural metamorphosis, and fragmentation. Si-Be nanoalloy clusters are noted to be thermally stable at lower temperatures (200-700 K); however, they begins to disintegrate earlier at a temperature as low as 800 K. This lower stability is attributed to the weak nature of Si and Be heteroatomic interactions, which is corroborated from the structural and electronic property analysis of the doped clusters. In addition to this, the performance of Be-doped clusters at finite temperatures is also compared with the thermal response of two other popular systems, viz., C-and B-doped silicon clusters.
}, issn = {2470-1343}, doi = {10.1021/acsomega.3c01133}, author = {Maneri, Asma Harun and Krishnamurty, Sailaja and Joshi, Krati} } @article {48456, title = {Understanding the thermal stability of a 3d, 4d, and 5d element doped aluminium nanocluster through BOMD simulations}, journal = {Molecular Simulation}, volume = {49}, year = {2023}, month = {FEB}, pages = {245-250}, type = {Article}, abstract = {
Endohedrally doped atomic clusters have generated considerable interest among computational chemists on account of their tunable chemical properties that mimic a super atom. Such endohedrally doped clusters have also been experimentally realised in the more recent past. The present work explores the practical existence of 3d, 4d and 5d doped aluminium clusters, more specifically doped Al13 cluster, by evaluating systematically their structural stability through the first principle molecular dynamical simulations. Born-Oppenheimer Molecular Dynamics (BOMD) simulations have been carried out on Al12X atomic clusters where X = Ti, V, Fe, Co, Ni, Cu, Zn, Y, Mo, Ru, Rh and W are in endohedral position. The thermal stability of such endohedrally doped clusters is quantified through parameters such as delta(rms), MSD and is an element of(pro). Electronic structure calculations reveal that endohedral doping of only Rh, Cu and Zn is preferred in the Al-13 cluster. Other dopants prefer to remain on the surface positions. However, finite temperature calculations reveal that the Al12Zn cluster undergoes surface modifications from 300K leading to a distorted icosahedral structure. Al12Cu cluster in quartet spin state is the only thermally stable cluster with Cu remaining in the endohedral position and structure retaining icosahedral confirmation till 700K.
}, keywords = {Al-13 atomic cluster, BOMD simulations, DFT, Endohedral doping, super atom}, issn = {0892-7022}, doi = {10.1080/08927022.2022.2153151}, author = {Samudre, Nikhil S. and Singh, Chandrodai Pratap and Krishnamurty, Sailaja} } @article {48802, title = {Unleashing methylammonium-guanidinium lead iodide hybrid perovskite spherulitic microstructures: a structural and morphological investigation}, journal = {MRS Communications}, volume = {13}, year = {2023}, month = {JUN}, pages = {406-415}, type = {Article}, abstract = {
Perovskites can offer an attractive replacement option for existing commercial solar technologies. Herein microstructure plays an important role in improving the efficiency and stability of solar cells. Previously unidentified spherulitic microstructures of self-assembled polycrystalline perovskites are explored in this report. For this an intermediate phase of a promising guanidinium (GUAI)-rich perovskite has been investigated for its structural and morphological properties. This study infuses new insight into the evolution of perovskite microstructure from heterogeneity to homogeneity, as a result unravels the structure of perovskite embryonic spherulites, lamellar arrangements, transcrystalline nature, novel spherulites bridging, hole nucleation, impingement, and defects.
}, keywords = {Microstructure, Morphology, Nucleation \& growth, Perovskites, Phase transformation, X-ray diffraction (XRD)}, issn = {2159-6859}, doi = {10.1557/s43579-023-00375-w}, author = {Mukul, Monika and Kaliaperumal, Selvaraj and Rani, Mamta and Tripathi, Surya Kant} } @article {48269, title = {Unlike RNA-TBA (rTBA), iso-rTBA, the 2 {\textquoteleft}-5 {\textquoteleft}-linked RNA-thrombin-binding aptamer, is a functional equivalent of TBA}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {FEB}, pages = {1461-1464}, type = {Article}, abstract = {
An antiparallel, functional RNA G-quadruplex of the 2 {\textquoteleft}-5 {\textquoteleft}-linked thrombin-binding aptamer (iso-rTBA) is reported for the first time. It can inhibit clotting and is remarkably stable to nuclease-degradation, besides having high thermal stability. It is thus, a superior candidate to TBA, rTBA or isoTBA, for further development as an anticoagulant.
}, issn = {1359-7345}, doi = {10.1039/d2cc05718b}, author = {Wagh, Atish A. A. and Kumar, Vaijayanti A. A. and Ravindranathan, Sapna and Fernandes, Moneesha} } @article {48798, title = {Unlocking the potential of proton conductivity in guanidinium-based ionic covalent organic nanosheets (iCONs) through pore interior functionalization}, journal = {Applied Materials Today}, volume = {33}, year = {2023}, month = {AUG}, pages = {101866}, type = {Article}, abstract = {
Recently, scientists have been exploring the incorporation of proton carriers such as water and phosphoric acid (PA) into the pores and channels of porous materials to enhance proton conduction performance. Ionic covalent organic nanosheets (iCONs) have been identified as promising functional materials due to their inbuilt ionic interfaces, which can facilitate strong interaction with counter ions present inside the pore structure and thus shorten ion transport pathways. However, there is a lack of research related to proton conductivity in iCONs loaded with PA. To address this, we prepared three functionalized guanidinium-based iCONs using a solvothermal condensation reaction between guanidinium amine (TG) and functionalized terephthaldehyde (Da, Dha, and Dma). PA was also incorporated into the iCON structure via ex situ loading to observe its effects on proton conduction performance. The results showed that both the iCONs and PA-iCONs were highly stable in water, organic solvents, acidic and basic media. Amongst these PA-iCONs, one with hydroxyl-functionalization (PA-DhaTG) displayed high proton conductivity at 90 degrees C and 95\% relative humidity due to a Grotthuss mechanism for protons. These functionalized guanidinium-based iCONs could prove useful for applications in energy conversion devices.
}, keywords = {chemical stability, Functionalized pore interior, Guanidinium group, ionic covalent organic nanosheets, proton conductivity}, issn = {2352-9407}, doi = {10.1016/j.apmt.2023.101866}, author = {Kumar, Sushil and Hu, Jiahui and Pandikassala, Ajmal and Kurungot, Sreekumar and Addicoat, Matthew A. and Szekely, Gyorgy} } @article {48835, title = {Unprecedented energy storage in metal-organic complexes via constitutional isomerism}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN}, pages = {6383-6392}, type = {Article}, abstract = {
The essence of any electrochemical system is engraved in its electrical double layer (EDL), and we report its unprecedented reorganization by the structural isomerism of molecules, with a direct consequence on their energy storage capability. Electrochemical and spectroscopic analyses in combination with computational and modelling studies demonstrate that an attractive field-effect due to the molecule{\textquoteright}s structural-isomerism, in contrast to a repulsive field-effect, spatially screens the ion-ion coulombic repulsions in the EDL and reconfigures the local density of anions. In a laboratory-level prototype supercapacitor, those with beta-structural isomerism exhibit nearly 6-times elevated energy storage compared to the state-of-the-art electrodes, by delivering similar to 535 F g(-1) at 1 A g(-1) while maintaining high performance metrics even at a rate as high as 50 A g(-1). The elucidation of the decisive role of structural isomerism in reconfiguring the electrified interface represents a major step forward in understanding the electrodics of molecular platforms.
}, issn = {2041-6520}, doi = {10.1039/d3sc01692g}, author = {Kottaichamy, Alagar Raja and Deebansok, Siraprapha and Deng, Jie and Nazrulla, Mohammed Azeezulla and Zhu, Yachao and Bhat, Zahid Manzoor and Devendrachari, Mruthyunjayachari Chattanahalli and Vinod, Chathakudath Prabhakaran and Kotresh, Harish Makri Nimbegondi and Fontaine, Olivier and Thotiyl, Musthafa Ottakam} } @article {49136, title = {Unusual ligand assistance in molecular electrocatalysis via interfacial proton charge assembly}, journal = {Journal of Physical Chemistry Letters }, volume = {14}, year = {2023}, month = {JUN }, pages = {5377-5385}, type = {Article}, abstract = {
We show that the ability of the ligand to reorganizethe electricdouble layer (EDL) often dominates the electrocatalysis contrary totheir inductive effect in the spectrochemical series, leading to counterintuitiveelectrocatalysis. With water oxidation and chlorine evolution as theprobe reactions, the same catalytic entity with carboxy functionalizedligand exhibited surprisingly higher electrochemical activity in comparisonto the aggressively electron-withdrawing nitro functionalized ligands,which is contrary to their actual location in the spectrochemicalseries. Spectroscopic and electrochemical analyses suggest the enrichmentof catalytically active species in the carboxy substituted ligandvia proton charge assembly in the EDL that in turn enhances the kineticsof the overall electrochemical process. This demonstration of lessobvious ligands becoming indispensable in electrocatalysis suggestsa blind designing of ligands solely based on their inductive effectshould be reconsidered as it will prevent the utilization of the maximumpotential of the molecule in electrocatalysis.
}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.3c01262}, author = {Mukhopadhyay, Sanchayita and Kottaichamy, Alagar Raja and Chame, Pallavi Vyankuram and Ghosh, Prasenjit and Vinod, Chathakudath Prabhakaran and Makri Nimbegondi Kotresh, Harish and Kanade, Sandeep C. and Thotiyl, Musthafa Ottakam} } @article {48746, title = {Visible-light-active unsymmetrical squaraine dyes with 1 V of open-circuit voltage for dye-sensitized solar cells}, journal = {ChemPhotoChem}, volume = {7}, year = {2023}, month = {MAY}, type = {Article}, abstract = {
A series of alkyl-group-functionalized, aniline- and indoline-donor-based, unsymmetrical visible-light-active squaraine dyes, AM1-3, were designed and synthesized. Dye-sensitized solar cell (DSSC) devices were fabricated with both I-/I-3(-) and [Cu(tmby)(2)](+/2+) electrolytes. DSSC devices sensitized with the AM1 and AM2 dyes showed relatively high-power conversion efficiency of 7.44 \% and 7.22 \%, respectively with I-/I-3(-) in the absence of chenodeoxycholic acid (CDCA) than those of the AM3 dye (5.41 \%). The [Cu(tmby)(2)](+/2+) electrolyte along with poly(3,4-ethylenedioxythiophene) (PEDOT) as cathode material showed excellent open-circuit potentials (V-OC) of 1030, 1025, and 1001 mV with the DSSC efficiency of 8.05 \%, 7.96 \%, and 5.84 \%, respectively, for the AM1, AM2, and AM3 dyes in the absence of CDCA. Here, the AM1 dye exhibited the maximum DSSC efficiency of 8.05 \% and V-OC of 1030 mV, which is the highest obtained efficiency and V-OC for the visible-light active zwitterionic unsymmetrical-squaraine dye with copper-based electrolyte.
}, keywords = {Cu electrolytes, dihedral angle, Dye-sensitized solar cells, open circuit voltage, squaraine dyes}, issn = {2367-0932}, doi = {10.1002/cptc.202200328}, author = {Singh, Amrita and Kumar Singh, Ambarish and Dixit, Ruchi and Vanka, Kumar and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {48911, title = {Visible-light-active unsymmetrical squaraine dyes with pyridyl anchoring groups for dye-sensitized solar cells}, journal = {Langmuir}, volume = {40}, year = {2023}, month = {DEC }, pages = {251-263}, type = {Article}, abstract = {
Visible-light-active alkyl group-wrapped unsymmetrical squaraine dyes SD1-SD3 were synthesized, featuring an indoline donor and pyridine and carboxylic acid anchoring groups. Their photophysical, electrochemical, and photovoltaic characteristics were examined by fabricating a dye-sensitized solar cell (DSSC) device. Both carboxylic acid and pyridine anchoring groups containing squaraine dyes SD3 and SD2 possess similar photophysical and electrochemical characteristics. However, their photovoltaic performances were completely different. The SD3 dye with the carboxylic acid anchoring group displayed a DSSC device efficiency of 7.20\% (V-OC 0.81 V; J(SC) 12.29 mA/cm(2)) using iodolyte (I-/I-3(-)) electrolyte, compared to SD1 (V-OC 0.659 V; J(SC) 4.97 mA/cm(2); and eta - 2.34\%) and SD2 (V-OC 0.629 V; J(SC) 1.68 mA/cm(2); and eta - 0.84\%), which were featured with pyridyl anchoring groups. These results were attributed to dye loading on the Lewis and Br \& oslash;nsted acidic sites of TiO2 and the importance of aggregated structures for photocurrent generation. In the incident photon-to-current efficiency (IPCE) analysis, SD1 dye-sensitized devices exhibited photocurrent generation from both monomeric and aggregated dyes on the TiO2 surface. In contrast, SD2 showed photocurrent generation solely from aggregated states. Despite the introduction of long alkyl chains to reduce dye aggregation and charge recombination, the results indicated preferential charge injection from only the aggregated SD2 dye on TiO2. Fluorescence-quenching experiments indicated an efficient charge transfer from the aggregated SD2 dye to TiO2 compared to that of the monomeric dye. Cosensitization, a method to enhance the light-harvesting efficiency and photocurrent generation in DSSCs, was explored by simultaneously cosensitizing pyridyl-based dyes (SD1 and SD2) with a blue-colored carboxylic acid-based squaraine dye SD4. IPCE analysis demonstrated that both SD1 and SD4 contributed to generating a photocurrent of 9.11 mA/cm(2). The sequential cosensitization of SD1 and SD4 with the coadsorbent CDCA showed the highest performance, with a V-OC of 0.663 V, a J(SC) of 11.43 mA/cm(2), and an efficiency (eta) of 5.20\%.
}, keywords = {co-sensitization, Design, Emmision, Fluorescent Dyes, High-Efficiency, Organic Dye, Ring}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c02474}, author = {Deshmukh, Shivdeep Suresh and Maibam, Ashakiran and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {48491, title = {Wadsworth-emmons reaction by using the fluorapatite catalyst: kinetic studies}, journal = {Industrial \& Engineering Chemistry Research}, volume = {62}, year = {2023}, month = {MAY }, pages = {7901-7911}, type = {Article}, abstract = {
Wadsworth-Emmons reaction was successfully carriedout byusing the fluorapatite (FAP) catalyst. The reaction of 2-methoxybenzaldehydeand triethylphosphonoacetate using FAP afforded \& alpha;,\& beta;-unsaturatedester with 100\% conversion and 80\% selectivity. A kinetic model wasvalidated at different temperatures by Langmuir-Hinshelwood-Hougen-Watson(LHHW), and the absence of mass transfer resistance was verified bythe Weisz Prater criterion. The effect of different catalysts, temperature,catalyst loading, solvent, mole ratio, and speed of stirring was studied.The FAP catalyst was characterized by Fourier transform infrared spectroscopy,Brunauer-Emmett-Teller method, nitrogen adsorption-desorption,transmission electron microscopy, energy-dispersive X-ray spectroscopy,temperature programmed desorption (TPD-NH3), X-ray diffraction,and X-ray photoelectron spectroscopy. The FAP catalyst was found tobe stable up to three recycles with no loss in activity.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c00407}, author = {Vishwakarma, Rakhi and Vinod, Chathakudath P. and Rathod, Virendra and Kantam, Mannepalli Lakshmi} } @article {48673, title = {Wavelet coherence phase analysis decodes the universal switching mechanism of Ras GTPase superfamily}, journal = {iScience}, volume = {26}, year = {2023}, month = {JUL}, pages = {107031}, type = {Article}, abstract = {
The Ras superfamily of GTPases regulate critical cellular processes by shuttling between GTP-bound ON and GDP-bound OFF states. This switching mechanism is attributed to the conformational changes in two loops, SWI and SWII, upon GTP binding and hydrolysis. Since these conformational changes vary across the Ras superfamily, there is no generic parameter to define their functional states. A unique wavelet coherence (WC) analysis-based approach developed here shows that the structural changes in switch regions could be mapped onto the wavelet coherence phase couplings (WPCs). Thus, WPCs could serve as unique parameters to define their functional states. Disentanglement of WPCs in oncogenic GTPases shows how breakdown of structural allostery leads to their aberrant function. These observations stand out even for simulated ensemble of switch region conformers. Overall, for the first time, we show that WPCs could unravel the latent structural deviations in Ras proteins to decode their universal switching mechanism.
}, doi = {10.1016/j.isci.2023.107031}, author = {Motiwala, Zenia and Sandholu, Anand S. and Sengupta, Durba and Kulkarni, Kiran} } @article {48714, title = {"Weak" C-H{\textbullet}{\textbullet}{\textbullet}S interaction drives enantioselectivity in cinchona alkaloid complex catalyzed thiocyanation}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {JUL}, pages = {e202300321}, type = {Article}, abstract = {
The great success of asymmetric organocatalysis has made it one of the most important advancements made in chemistry in the past two decades. A significant achievement in this context is the asymmetric organocatalysis of the thiocyanation reaction. In the current study, computational studies with density functional theory have been done in order to understand an interesting experimental finding: the reversal of enantioselectivity from R to S when the electrophile is changed from beta-keto ester to oxindole for the thiocyanation reaction with the cinchona alkaloid complex catalyst. The calculations reveal an unusual fact - the principal reason for the reversal is the presence of the C-H center dot center dot center dot S noncovalent interaction, which is present only in the major transition states in each of the two nucleophile cases. Only recently has it been realized that the supposedly weak C-H center dot center dot center dot S noncovalent interaction has the properties of a hydrogen bond, and the fact that this interaction is the cause of enantioselectivity has relevance, because of the large number of asymmetric transformations involving the sulphur heteroatom.
}, keywords = {Density functional calculations, Enantioselectivity, noncovalent interactions, organocatalysis, reaction mechanisms}, issn = {1861-4728}, doi = {10.1002/asia.202300321}, author = {Banerjee, Subhrashis and Vanka, Kumar} } @article {48331, title = {Whole genome sequencing and comparative genomics of Indian isolates of wheat spot blotch pathogen bipolaris sorokiniana reveals expansion of pathogenicity gene clusters}, journal = {Pathogens}, volume = {12}, year = {2023}, month = {JAN}, pages = {1}, type = {Article}, abstract = {
Spot blotch is a highly destructive disease in wheat caused by the fungal pathogen Bipolaris sorokiniana (teleomorph, Cochliobolus sativus). It is prevalent in warm and humid areas, including Africa, Asia, Latin America, and the USA. In the present study, twelve isolates of B. sorokiniana were collected from wheat fields in three different geographical locations in India. The pathogenicity of seven sporulating isolates was assessed on {\textquoteleft}DDK 1025{\textquoteright}, a spot blotch-susceptible wheat variety under greenhouse conditions. The isolate {\textquoteleft}D2{\textquoteright} illustrated the highest virulence, followed by {\textquoteleft}SI{\textquoteright} and {\textquoteleft}BS52{\textquoteright}. These three isolates were sequenced using the Illumina HiSeq1000 platform. The estimated genome sizes of the isolates BS52, D2, and SI were 35.19 MB, 39.32 MB, and 32.76 MB, with GC contents of 48.48\%, 50.43\%, and 49.42\%, respectively. The numbers of pathogenicity genes identified in BS52, D2, and SI isolates were 2015, 2476, and 2018, respectively. Notably, the isolate D2 exhibited a relatively larger genome with expanded arsenals of Biosynthetic Gene Clusters (BGCs), CAZymes, secretome, and pathogenicity genes, which could have contributed to its higher virulence among the tested isolates. This study provides the first comparative genome analysis of the Indian isolates of B. sorokiniana using whole genome sequencing.
}, keywords = {Bipolaris sorokiniana, CAZyme, comparative genomics, spot blotch, whole genome sequencing}, doi = {10.3390/pathogens12010001}, author = {Yadav, Sagar and Raazi, Zarrine and Shivaraj, Sheelavanta Matha and Somani, Deepika and Prashant, Ramya and Kulkarni, Abhijeet and Kumar, Rajeev and Biradar, Suma and Desai, Shreenivas and Kadoo, Narendra} } @article {48962, title = {Wurtzite CuGaS2 with an in-situ-formed CuO layer photocatalyzes CO2 conversion to ethylene with high selectivity}, journal = {Angewandte chemie-international edition}, volume = {62}, year = {2023}, month = {FEB 20}, type = {Article}, abstract = {
We present surface reconstruction-induced C-C coupling whereby CO2 is converted into ethylene. The wurtzite phase of CuGaS2. undergoes in situ surface reconstruction, leading to the formation of a thin CuO layer over the pristine catalyst, which facilitates selective conversion of CO2 to ethylene (C2H4). Upon illumination, the catalyst efficiently converts CO2 to C2H4 with 75.1 \% selectivity (92.7 \% selectivity in terms of R-electron) and a 20.6 mu mol g(-1) h(-1) evolution rate. Subsequent spectroscopic and microscopic studies supported by theoretical analysis revealed operando-generated Cu2+, with the assistance of existing Cu+, functioning as an anchor for the generated *CO and thereby facilitating C-C coupling. This study demonstrates strain-induced in situ surface reconstruction leading to heterojunction formation, which finetunes the oxidation state of Cu and modulates the CO2 reduction reaction pathway to selective formation of ethylene.
}, keywords = {C-C coupling, charge polarization, CO2 reduction, Photocatalysis}, issn = {1433-7851}, doi = {10.1002/anie.202216613}, author = {Chakraborty, Subhajit and Das, Risov and Riyaz, Mohd and Das, Kousik and Singh, Ashutosh Kumar and Bagchi, Debabrata and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48690, title = {Zwitterionic disilanylium from an unsymmetrical disilene}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {FEB }, pages = {1669-1672}, type = {Article}, abstract = {
The reaction of PhC(NtBu)2SiSi(SiMe3)(3) (1) with Me3SiCH(2)Cl afforded an unsymmetrical sp(2)-sp(3) disilene, 2, with concomitant elimination of Me3SiCl. The analogous reaction with PhC(NtBu)2SiCl resulted in the oxidative addition of the C-Cl bond at the Si(II) atom (3). The reactions of 2 with sulfur and selenium led to compounds with Si=E (E=S (4) and Se (5)) double bonds. Tellurium reacted differently with 2 and furnished a zwitterionic compound, 6.
}, issn = {1359-7345}, doi = {10.1039/d2cc06954g}, author = {Bisai, Milan Kumar and Ajithkumar, V. S. and Raj, K. Vipin and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {49139, title = {Zwitterionic tetrastanna(II) cyclic crown}, journal = {European Journal of Inorganic Chemistry}, volume = {26}, year = {2023}, month = {OCT }, type = {Article}, abstract = {
A 12-membered zwitterionic tetrastanna(II) cycle 1 having a crown ether-like topology has been isolated from the deprotonation of 1,1 \& PRIME;-methylenediimidazole (B) with two equivalents of Sn[N(SiMe3)(2)](2) (A). The solid-state structure and NMR analysis confirms the tetrastanna(II) cycle 1 to be comprised of two stannate(II) and two stannyliumylidene ion pairs in alternating positions of the heterocycle. Computational analysis shows greater nucleophilicity at the proximally located stannate(II) centers. Nonetheless, the tetrastanna(II) cycle 1 remains poorly reactive due to engagement of Sn-II lone pair electrons in intramolecular donor-acceptor interactions. Simple deprotonation reaction between Sn[N(SiMe3)(2)](2) (A) and N-(diisopropylphenyl)imidazole (C) in equimolar ratio has led to a stannylene 2, involving the formation of a Sn-C covalent bond with the anionic imidazol-2-yl carbon center along with the release of NH(SiMe3)(2). Compound 2 exists as a dimer, where the unsubstituted ring nitrogen atom coordinated intermolecularly to the other stannylene center.
}, keywords = {Deprotonation, Imidazole, Macrocycle, Sn-II cation, stannylene}, issn = {1434-1948}, doi = {10.1002/ejic.202300249}, author = {Sahoo, Padmini and Chibde, Purva and Das, Satyabrata and Banerjee, Subhrashis and Mali, Bhupendra P. and Vanka, Kumar and Gonnade, Rajesh G. and Yildiz, Cem. B. and Majumdar, Moumita} } @article {49320, title = {1,6-Conjugate addition of in situ generated aryldiazenes to p-quinone methides}, journal = {Organic \& Biomolecular Chemistry}, volume = {22}, year = {2024}, month = {JUL}, pages = {5636-5645}, type = {Article}, abstract = {
Herein we report a transition-metal free, base-mediated 1,6-conjugate addition of aryldiazenes to para-quinone methides (p-QMs). Arylhydrazines were used for the in situ generation of aryldiazenes using a base-mediated protocol in the presence of air as the oxidant. The 1,6-conjugate addition of aryldiazenes to para-quinone methides via a radical mechanism is followed by an oxidative rearrangement to furnish the desired product, arylhydrazones. Interestingly, our synthetic protocol results in the formation of an aryldiazene radical, which undergoes 1,6-conjugate addition with p-QMs to furnish the arylhydrazones.
}, issn = {1477-0520}, doi = {10.1039/d4ob00618f}, author = {Mamale, Ajay G. and Paul, Sayantan and Gonnade, Rajesh G. and Bhattacharya, Asish K.} } @article {49349, title = {2,3-Difunctionalization of quinones: a gold-catalyzed cascade approach for trifluoromethyl-amination or sulfoximination}, journal = {Chemical Communications}, volume = {60}, year = {2024}, month = {AUG }, pages = {9598-9601}, type = {Article}, abstract = {
A one-pot domino protocol employing gold(i) catalysis has been developed for the cascade trifluoromethyl-amination/sulfoximination of quinones. Togni I serves as the trifluoromethyl installing precursor, while amine or sulfoximine serves as the aminating source. Preliminary investigations suggest a mutual activation of Togni I and the amine precursor, facilitating the facile difunctionalization of quinones with excellent regioselectivity. Extensive substrate scope exploration demonstrates moderate to good yields of difunctionalized products. Application to the natural product Juglone highlights its potential for late-stage modifications in medicinal chemistry and drug discovery. A one-pot domino protocol employing gold(i) catalysis has been developed for the cascade trifluoromethyl-amination/sulfoximination of quinones.
}, issn = {1359-7345}, doi = {10.1039/d4cc01891e}, author = {Sharma, Alpa and Govande, Vijaya and Mahajan, Shivangani and Sawant, Sanghapal D.} } @article {49107, title = {2-Pyridone-directed CuII-catalyzed general method of C(sp2)-H activation for C-S, C-Se, and C-N cross-coupling: easy access to aryl thioethers, selenide ethers, and sulfonamides and DFT study}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {APR }, pages = {6798-6812}, type = {Article}, abstract = {
We have demonstrated N-substituted 2-pyridones as an N,O-directing group for selective C(sp(2))-H-activated thiolation, selenylation, and sulfonamidation of ortho C-H bonds of benzamides. This method utilizes a cost-effective Cu(II)-salt catalyst instead of precious metal catalysts, achieving high yields, including gram-scale synthesis and excellent functional group tolerance. We applied this protocol to access 30 different compounds with high yields, demonstrating thiolation of fluorine-substituted benzamides as well. Density functional theory (DFT) calculations support the mechanism, including acetate-supported concerted metalation deprotonation (CMD) steps and the unique role of dimethyl sulfoxide (DMSO) solvent. The facile synthesis of pharmaceutically important sulfonamides and other compounds highlights the method{\textquoteright}s potential in chemistry and medicinal chemistry.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c00120}, author = {Pati, Tanmay K. and Molla, Sabir Ali and Ghosh, Narendra Nath and Kundu, Mrinalkanti and Ajarul, Sk and Maity, Pradip and Khamrai, Uttam and Maiti, Dilip K.} } @article {48997, title = {4-aminoantipyrine linked bis-1,2,3-triazole based probes for Cu(II) sensing}, journal = {Journal of Molecular Structure }, volume = {1297}, year = {2024}, month = {FEB }, type = {Article}, abstract = {
Herein, two molecular probes of 4-aminoantipyrine-linked bis-1,2,3-triazoles have been studied for metal ion sensing applications. The crystal structure of one of the probes named as 4,4 {\textquoteleft}-((4,4 {\textquoteleft}-(((1,5-dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4-yl) azanediyl) bis(methylene))bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene))dibenzonit rile (3b) crystalizes in Monoclinic crystal system in P 1 21/n 1 space group. Both probes responded more strongly and selectively to Cu(II) than other tested metal ions (K+, Na+, Mg2+, Ba2+, Ca2+, Cr3+, Mn2+, Co2+, Zn2+, Cd2+, Ni2+, Hg2+, and Pb2+). Job{\textquoteright}s plot suggested a 1:1 stoichiometric ratio of ligand and metal ion. Both probes showed an association constant of 2.48 x 10(3) M-1 and 3.73 x 10(3) M-1 through Benesi-Hildebrand (B-H) plot. The geometries of both probes and their complexes were optimized by DFT using B3LYP/6-311 G(d,p) and B3LYP/LanL2DZ basis sets, and properties were supported by Mulliken atomic charge and Molecular electrostatic potential. Molecular docking on both probes and their complexes with Type-II topoisomerases(PDB ID: 4G0V) protein was conducted to foretastes anticancer activity.
}, keywords = {2, 3-Triazole, 4-aminoantipyrine, and Molecular docking, Bis-1, Cu2+ Sensor, DFT, X-ray crystallography}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2023.136995}, author = {Lal, Bajrang and Kumar, Sachin and Tittal, Ram Kumar and Singh, Gurleen and Singh, Jandeep and Ghule, Vikas D. and Mathpati, Ramling S. and Sabane, Jagjivan K.} } @article {49302, title = {ABPBI-based hollow fiber membranes for forward osmosis (FO) possessing low reverse salt flux}, journal = {Desalination and Water Treatment}, volume = {320}, year = {2024}, month = {OCT}, pages = {100641}, type = {Article}, abstract = {
The poly(2,5-Benzimidazole), known for its excellent thermochemical stability, was evaluated as a membrane material for forward osmosis. The dope in methane sulfonic acid was used to make hollow fiber membranes. The availability of bound MSA in HFMs was compared with its neutral form. Aqueous solutions of two common salts reported for FO (NaCl and MgCl2) were used as a draw solution at varying concentrations. The performance was determined in terms of water flux and reverse salt flux. The long-term performance of the membrane was assessed. The heat pretreatment of membranes was beneficial in offering low reverse salt flux, a crucial parameter in FO. The heat treatment at 350 degrees C exhibited excellent performance of low-RSF, irrespective of the draw solute used. The presence of MSA in the membrane matrix was found to be beneficial. Present HFMs exhibited reverse salt flux as low as 0.003 mol m-2 h-1 using 2 mol L-1 MgCl2 as a draw solution. The water flux of present membranes was lower than that of reported FO-membranes, which is attributable to the larger thickness of the present membranes. The findings will be used to make ABPBI-based membranes in thin form to elevate the fluxes and their practical applicability.
}, keywords = {ABPBI, Forward osmosis, Hollow fiber membrane, Low reverse salt flux}, issn = {1944-3994}, doi = {10.1016/j.dwt.2024.100641}, author = {Thorat, Nitin M. and Lele, Ashish K. and Kharul, Ulhas K.} } @article {48971, title = {Access to NHC-Boryl mono- and bis-selenide and utility as mild selenium transfer reagent including to the C-F bond}, journal = {Chemistry- a european journal}, volume = {30}, year = {2024}, month = {JAN }, type = {Article}, abstract = {
Reactions of 5-SIDipp \& sdot; BH3 (5-SIDipp=1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene) (1) with diphenyldiselenide provide access to 5-SIDipp-boryl mono- (5-SIDipp \& sdot; BH2SePh) (2) and bis-selenide (5-SIDipp \& sdot; BH(SePh)2) (3). The facile cleavage of the B-Se bond makes 2 a neutral source of selenium nucleophiles in substitutions reactions with benzyl bromides, and provide access to the corresponding selenoethers. The direct transformations of one of the C(sp2)-F bonds of C5F5N and C6F5CF3 to C-Se bonds have also been achieved by the use of 2 without employing transition-metal catalysts. While it was previously established that C6F6 could undergo complete defluoroselenation under harsh conditions, we successfully achieved partial defluorination of C6F6 by employing 2 as a mild selenide transfer reagent. During the formation of C-Se bonds through the cleavage of C-F bonds, the potential by-product NHC \& sdot; BH2F undergoes ring expansion of the NHC, leading to the formation of the six-membered diaazafluoroborinane (7). Access to NHC \& sdot; boryl mono- and bis-selenides from NHC \& sdot; BH3 has been achieved. The boryl mono selenide has been demonstrated to function as a selenium transfer reagent, enabling the synthesis of selenoethers from benzyl bromide. Additionally, it can also facilitate the conversion of the challenging aromatic C-F bond to a C-Se bond, resulting in concomitant ring expansion of NHC \& sdot; haloborane.image
}, keywords = {boron, C-F Bond Activation, N-Heterocyclic carbene, Ring expansion, Selenium}, issn = {0947-6539}, doi = {10.1002/chem.202302984}, author = {Kundu, Gargi and Amrutha, P. R. and Tothadi, Srinu and Sen, Sakya S.} } @article {49314, title = {Accessing meta -enone-substituted anisoles using ArN 2 BF 4 as precatalyst via rearrangement of alkyne-tethered cyclohexadienones}, journal = {Synthesis-Stuttgart}, volume = {56}, year = {2024}, month = {AUG }, pages = {2499-2506}, type = {Article}, keywords = {alkyne-tethered cyclohexadienone, diazonium salt, rearrangement, substituted anisoles}, issn = {0039-7881}, doi = {10.1055/a-2331-9439}, author = {Rai, Archana and Das, Utpal} } @article {49393, title = {Activation of carbon disulfide by a hypersilyl germylene}, journal = {Dalton Transactions}, volume = {53}, year = {2024}, month = {JUL}, type = {Article}, abstract = {
In this work, the insertion of CS2 into the Ge-Si bond of PhC(NtBu)2Ge-Si(SiMe3)3 (1) has been investigated, resulting in the formation of PhC(NtBu)2Ge-C( 00000000 00000000 00000000 00000000 11111111 00000000 11111111 00000000 00000000 00000000 S)-S-Si(SiMe3)3 (2). Interestingly, the addition of NHC to 2 allows the release of NHCCS2 with concomitant regeneration of 1. Addition of another equivalent of 1 or an analogous hypersilyl silylene, [PhC(NtBu)2Si-Si(SiMe3)3], to 2 led to the formation of compounds with a GeS (3) or a SiS (4) bond. In this work, the insertion of CS2 into the Ge-Si bond of PhC(NtBu)2Ge-Si(SiMe3)3 (1) has been investigated, resulting in the formation of PhC(NtBu)2Ge-C(S)-S-Si(SiMe3)3 (2).
}, issn = {1477-9226}, doi = {10.1039/d4dt01573h}, author = {Ajithkumar, V. S. and Khilari, Nripen and Ghanwat, Pratiksha B. and Venugopal, Geethu and Koley, Debasis and Sen, Sakya S.} } @article {49230, title = {Adsorption based downstream processing approach for penicillin V from a Penicillium chrysogenum BIONCL I22 culture filtrate}, journal = {ACS Omega}, volume = {9}, year = {2024}, month = {JUN }, pages = {25859-25869}, type = {Article}, abstract = {
Penicillin V (phenoxy methyl penicillin) is highly sought after among natural penicillins because of its exceptional acid stability and effectiveness against common skin and respiratory infections. Given its wide-ranging therapeutic uses, there is a need to establish a greener method for its maximum recovery to reduce the carbon footprint. Here, we have identified and validated optimized operational conditions for resin-based penicillin V recovery. It was observed that Amberlite XAD4 had the highest penicillin V hydrophobic adsorption capacity among the other screened resins. Kinetic and isothermal studies using linear and nonlinear regression analysis showed that the adsorption process well fitted with pseudo-second-order kinetics (R-2 = 0.9816) and the Freundlich adsorption isotherm model (R-2 = 0.9871). Adsorption equilibrium was attained within 4 h, while maximum adsorption was observed at 3 mg/mL penicillin V concentration. Furthermore, the optimized extraction protocol was compared with the conventional butyl acetate-based downstream processing. Under optimum conditions resin-based penicillin V recovery was 2-fold higher as compared to the solvent extraction method and the resin could be reused for over six cycles without compromising the yield. These findings signify substantial progress toward the development of an environmentally sustainable approach for penicillin V recovery and a potentially viable method for extractive fermentation.
}, issn = {2470-1343}, doi = {10.1021/acsomega.4c00251}, author = {Mishal, Bela H. and Das, Sancharini and Mahajan, Vaishnavi N. and Dharne, Mahesh S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {49324, title = {Advanced 3D network of N-doped graphitic carbon with FeNi alloy embedding for high-performance rechargeable Zn-air batteries}, journal = {Advanced Sustainable Systems}, volume = {8}, year = {2024}, month = {JUL}, type = {Article}, abstract = {
Despite the significant progress in Zn-air batteries (ZABs), their widespread use in the rechargeable sector is hindered due to the scarcity of efficient bifunctional oxygen catalysts that can catalyze both the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER). To address this, an ORR/OER bifunctional electrocatalyst is designed with ultrafine alloyed FeNi nanoparticles encapsulated in a 3D interconnected N- doped carbon network structure, featuring a carbon nitride backbone enclosed in graphitic carbon. The FeNi electrocatalyst (3DFeNiPDC) showed good bifunctional activity toward both ORR and OER in the basic medium with a low overpotential value of 30 mV for ORR and 6 mV for OER compared to its state-of-the-art counterparts Pt/C, and RuO2, respectively. Utilizing 3DFeNiPDC in a rechargeable Zn-air battery (RZAB) yields an open circuit voltage (OCV) of 1.35 V, a maximum power density of 232 mW cm-2, and an energy density of 707 W h kg-1. Additionally, a flexible RZAB employing 3DFeNiPDC demonstrates an OCV of 1.4 V with various bending angles. These finding suggest 3DFeNiPDC as a viable alternative to noble metal-based RZABs, offering superior bifunctional electrocatalytic activity and stability, particularly with its enhanced air-breathing properties facilitating improved operability under practical conditions. The bifunctional electrocatalytic activity of FeNi alloy nanoparticles embedded in a 3D- interconnected N-doped graphitic carbon (3DFeNiPDC) for both oxygen reduction and oxygen evolution is studied. The 3D architecture and core-shell characteristics of FeNi alloy nanoparticles provide better activity and stability for oxygen electrocatalysis. The electrocatalytic activity of 3DFeNiPDC has been exploited for liquid-state and solid-state flexible rechargeable zinc-air batteries. image
}, keywords = {Oxygen Evolution Reaction, oxygen reduction reaction, rechargeable flexible zinc-air battery}, issn = {2366-7486}, doi = {10.1002/adsu.202400012}, author = {Pandikassala, Ajmal and Kurian, Maria and Gangadharan, Pranav K. and Torris, Arun and Kurungot, Sreekumar} } @article {49020, title = {Advancement in the C-H bond alkylation of (hetero)arenes catalyzed by the most abundant transition metal-iron}, journal = {Organic Chemistry Frontiers }, volume = {11}, year = {2024}, month = {APR }, pages = {2397-2417}, type = {Review}, abstract = {
Alkylation reaction stands as a crucial organic transformation, fostering privileged alkylated arenes and heteroarenes in molecular science. Over the past decade, the utilization of the most abundant transition metal iron for regioselective C-H bond alkylation has gained substantial prominence, offering a straightforward and sustainable approach. Noteworthy progress has been achieved in the alkylation of diverse arenes and heteroarenes involving primary, secondary, and tertiary alkyl (pseudo)halide, alkene, and alcohol coupling partners via both the mono- and bidentate-chelate strategies. This concise and focused review provides an overview of the advancement in the iron-catalyzed alkylation of arenes and heteroarenes through step-economical C-H functionalization, their novel features, proposed mechanisms, and future research directions. The review is categorized into two major sections: (i) alkylation of arenes and (ii) alkylation of heteroarenes. Each section is discussed based on the class of arenes and heteroarenes used. Advancement in the direct C-H bond alkylation of arenes and heteroarenes using the catalysts based on the most abundant transition metal, iron, is summarized.
}, issn = {2052-4129}, doi = {10.1039/d4qo00063c}, author = {Pradhan, Chandini and Punji, Benudhar} } @article {49632, title = {Advances in catalytic conversion of lignocellulosic biomass to ethylene glycol}, journal = {Catalysis Reviews-Science and Engineering}, volume = {66}, year = {2024}, month = {OCT }, pages = {1137-1207}, type = {Review}, abstract = {
Ethylene glycol (EG) is an industrial chemical with multiple applications in polymers, anti-freeze agents, coolants, desiccants and de-icing fluids. It is prepared mainly from fossil feedstock resources. However, its manufacture from renewable sources like lignocellulosic biomass is attractive from the view points of carbon-neutrality and environmental benefits. A few industries have already ventured or committed to produce biomass-derived EG (bio-EG) on a pilot to demonstration scale. At present bio-EG is more expensive than the EG made from fossil resources. Advances are happening in developing more efficient and selective catalysts for the direct conversion of raw biomass and its hydrolysis products (cellulose and glucose) into bio-EG. This review presents the recent advances in catalysts for producing bio-EG.
}, keywords = {2-diol, biomass to chemicals, ethane-1, Hydrogenolysis, Lignocellulose, Monoethylene glycol, solid catalyst}, issn = {0161-4940}, doi = {10.1080/01614940.2022.2111070}, author = {Enjamuri, Nagasuresh and Darbha, Srinivas} } @article {49276, title = {Alternative synthetic route for the pharmacophore of anticancer agent: triazolopyridazine derivative}, journal = {Tetrahedron Letters}, volume = {146}, year = {2024}, month = {AUG}, pages = {155193}, type = {Article}, abstract = {
ATAD2 has received attention as one of the potential oncogene with tumor-promoting aspects in many malignancies. ATAD2 is a highly conserved bromodomain family protein that exerts its biological functions by mainly AAA ATPase and bromodomain. Several small molecule inhibitors have been described in the literature. AZ13824374 (1) recently reported by Holt and co-workers showed promising in vitro (bio-chemical, cellular) and antiproliferative activity in range of breast cancer models. In this work, we described scalable synthetic route for triazolopyridazine derivative (2), a key intermediate of AZ13824374 (1) without using CO in the process. Triazolopyridazine helps to attain the bioactive conformation for AZ13824374 (1) through its crucial interaction with Tyr 1021 of ATAD2. Additionally, triazolopyridazine is extensively used as an intermediate for anticancer agents. This encouraged us to develop cost-effective and scalable process for it.
}, keywords = {Alternative process, Anticancer, Triazolopyridazine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2024.155193}, author = {Karche, Ranjit S. and Bankar, Shubham R. and Jadhav, Vrushali H.} } @article {49367, title = {Aluminium, nitrogen-dual-doped reduced graphene oxide Co-existing with cobalt-encapsulated graphitic carbon nanotube as an activity modulated electrocatalyst for oxygen electrocatalyst for oxygen electrochemistry applications}, journal = {Small}, volume = {20}, year = {2024}, month = {AUG}, type = {Article}, abstract = {
There is a rising need to create high-performing, affordable electrocatalysts in the new field of oxygen electrochemistry. Here, a cost-effective, activity-modulated electrocatalyst with the capacity to trigger both the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) in an alkaline environment is presented. The catalyst (Al, Co/N-rGCNT) is made up of aluminium, nitrogen-dual-doped reduced graphene oxide sheets co-existing with cobalt-encapsulated carbon nanotube units. Based on X-ray Absorption Spectroscopy (XAS) studies, it is established that the superior reaction kinetics in Al, Co/N-rGCNT over their bulk counterparts can be attributed to their electronic regulation. The Al, Co/N-rGCNT performs as a versatile bifunctional electrocatalyst for zinc-air battery (ZAB), delivering an open circuit potential approximate to 1.35 V and peak power density of 106.3 mW cm-2, which are comparable to the system based on Pt/C. The Al, Co/N-rGCNT-based system showed a specific capacity of 737 mAh gZn-1 compared to 696 mAh gZn-1 delivered by the system based on Pt/C. The DFT calculations indicate that the adsorption of Co in the presence of Al doping in NGr improves the electronic properties favoring ORR. Thus, the Al, Co/N-rGCNT-based rechargeable ZAB (RZAB) emerges as a highly viable and affordable option for the development of RZAB for practical applications. This manuscript reports the development of a new bifunctional catalyst that exhibits high activity and stability under practical operating conditions. The catalyst (Al, Co/N-rGCNT) is made up of aluminium, nitrogen-dual-doped reduced graphene oxide sheets co-existing with the in situ formed cobalt-encapsulated CNT units is synthesized by a scalable pyrolysis method in an inert Ar atmosphere. The developed electrocatalyst achieved enhanced the oxygen reduction reaction (ORR) and the oxygen evolution reaction OER activity as a result of the favorable synergistic modulations and the system can serve as a process-friendly air-electrode for rechargeable zinc-air battery (RZAB). image
}, keywords = {Al, Bifunctional catalyst, DFT study, encapsulated structure, N-dual doping, Oxygen Evolution Reaction, oxygen reduction reaction, rechargeable zinc-air battery, X-ray absorption spectroscopy}, issn = {1613-6810}, doi = {10.1002/smll.202400012}, author = {Kharabe, Geeta Pandurang and Barik, Sidharth and Veeranmaril, Sudheesh Kumar and Nair, Aathira and Illathvalappil, Rajith and Yoyakki, Athira and Joshi, Kavita and Vinod, Chathakudath Prabhakaran and Kurungot, Sreekumar} } @article {49076, title = {Aminoacylase efficiently hydrolyses fatty acid amino acid conjugates of Helicoverpa armigera potentially to increase the pool of glutamine}, journal = {Insect Biochemistry and Molecular Biology }, volume = {165}, year = {2024}, month = {FEB}, type = {Article}, abstract = {
One of the most prevalent bioactive molecules present in the oral secretion (OS) of lepidopteran insects is fatty acid amino acid conjugates (FACs). Insect dietary components have influence on the synthesis and retaining the pool of FACs in the OS. We noted differential and diet-specific accumulation of FACs in the OS of Helicoverpa armigera by using Liquid Chromatography-Quadrupole Time of Flight Mass Spectrometry. Interestingly, we identified FACs hydrolyzing enzyme aminoacylase (HaACY) in the OS of H. armigera through proteomic analysis. Next, we have cloned, expressed, and purified active recombinant HaACY in the bacterial system. Recombinant HaACY hydrolyzes all the six identified FACs in the OS of H. armigera larvae fed on host and non-host plants and releases respective fatty acid and glutamine. In these six FACs, fatty acid moieties vary while amino acid glutamine was common. Glutamine obtained upon hydrolysis of FACs by HaACY might serve as an amino acid pool for insect growth and development. To understand the substrate choices of HaACY, we chemically synthesized, purified, and characterized all the six FACs. Interestingly, rHaACY also shows hydrolysis of synthetic FACs into respective fatty acid and glutamine. Our results underline the importance of diet on accumulation of FACs and role of aminoacylase(s) in regulating the level of FACs and glutamine.
}, keywords = {Aminoacylase, Fatty acid amino acid conjugates, Glutamine, Helicoverpa armigera, Oral secretion}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2024.104070}, author = {Kallure, Gopal S. and Sahoo, Shubhranshu Shekhar and Kale, Rutuja S. and Barvkar, Vitthal T. and Kontham, Ravindar and Giri, Ashok P.} } @article {48934, title = {Aniline and indoline donors based far-red active unsymmetrical squaraine dyes for dye sensitized solar cells}, journal = {Chemphotochem}, volume = {8}, year = {2024}, month = {FEB}, type = {Article}, abstract = {
In dye-sensitized solar cells (DSSC), controlling the dye-aggregation on the metal-oxide surface by appending the alkyl groups around the donor or pi-spacer unit of the dye is a potential approach to enhance DSSC efficiency. Further, rigidification of the dye structures by cyclization modulates the photophysical properties of the sensitizer. Here a series of donor-acceptor-donor (D-A-D) type far-red active unsymmetrical squaraine dyes (SQA) have been designed and synthesized, where N,N-dimethylaniline, methylated- and branched-indoline have been used as donor units. These dyes showed absorption between 629-654 nm (lambda max) with the molar extinction coefficient of 1.49-1.94x105 M-1 cm-1. Systematic enhancements in DSSC device efficiency have been observed due to the cyclization and alkyl-groups incorporation in this set of dyes which were further enhanced with the addition of chenodeoxycholic acid (CDCA). The highest DSSC device efficiency of 4.78 \% (Jsc of 8.77 mA/cm2 and Voc of 692 mV) has been achieved for SQA3. The IPCE profile of SQA dyes indicates the contribution of aggregated structures for the photocurrent generation. Further, co-sensitization of SQA3 dye with a complementary visible light active dye AK4 showed the enhanced device efficiency of 6.27 \% with panchromatic IPCE response. Dye rigidification, and controlled aggregation of dyes on TiO2 by means of cyclization of donor unit and introducing the alkyl groups in the dye structure synergistically improve the dye-sensitized solar cell (DSSC) device performance. Donor-Acceptor-Donor (D-A-D) based unsymmetrical squaraine dye SQA3 showed the DSSC device performance of 4.78 \%.image
}, keywords = {co-sensitization, dye-sensitized solar cell, effect of alkyl chain, molecular planarity, squaraine dye}, issn = {2367-0932}, doi = {10.1002/cptc.202300160}, author = {Jadhav, Avinash P. and Singh, Ambarish Kumar and Maibam, Ashakiran and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {49654, title = {Application of eco-friendly cationic celluloses for effective sludge dewatering}, journal = {Water Air and Soil Pollution}, volume = {235}, year = {2024}, month = {JUN}, pages = {388}, type = {Article}, abstract = {
The study presents the application of cationic celluloses in sludge dewatering. The source of cellulose used in this study were microcrystalline cellulose and alkaline-treated rice straw. The cationic celluloses were synthesized in a two-step reaction involving oxidation of cellulose with sodium periodate and followed by Schiff base reaction with Girard reagent T to introduce quaternary ammonium cations. The functional groups and chemical structure were confirmed by FTIR and NMR spectroscopy. The molecular weight and cationicity index of cationic cellulose were determined. Owing to their low molecular weight, the cationic celluloses functioned as coagulants and brought about charge neutralization through electric patches. The cationic celluloses were effective in promoting rapid sludge settling and improving the sludge filterability. The cationic celluloses are eco-friendly and non-toxic alternatives to acrylamide-based flocculants.
}, keywords = {biodegradable, Cationic cellulose, coagulation, Sludge dewatering, Wastewater treatment}, issn = {0049-6979}, doi = {10.1007/s11270-024-07203-4}, author = {Menon, Snehal and Suresha, P. R. and Khairnar, Ajay and Kalyanraman, V.} } @article {49185, title = {Aqueous glycerol to glyceric acid and green hydrogen by visible-light-driven photocatalysis with Ni/Co(PO4)2-TiO2: parallel utilization of holes and electrons}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {12}, year = {2024}, month = {SEP}, pages = {14841-14853}, type = {Article}, abstract = {
Replacing the kinetically sluggish oxygen evolution reaction (OER) with the oxidation of an abundantly available organic molecule to value-added product(s) (VAPs) at low voltage along with the hydrogen evolution reaction (HER) is a big challenge in water splitting, either by electrolysis or sunlight-driven photocatalysis. Glycerol oxidation to a VAP is kinetically fast, compared to an OER, and offers hope to enhance sunlight-driven water splitting to hydrogen by the concurrent utilization of holes and electrons. Mixed bimetal phosphates of Co and Ni (CoxNiy(PO4)(2) (CoNiP)) with different Co:Ni ratios (10:0, 7:3, 5:5, 3:7, and 0:10) were integrated with TiO2 to generate final photocatalyst composites (x wt \% CoNiP with TiO2) and employed for concurrent photocatalytic HER and glycerol oxidation. Irrespective of the weight ratios of CoNiP and TiO2, any TiO2-CoNiP composite showed better photocatalytic activity for the HER and glycerol oxidation compared to virgin TiO2. The highest HER as well as selectively generated glyceric acid yield was observed to be 54 and 67 mmol/g, respectively, after 25 h of reaction under 1 sun conditions with TiO2-CoNiP-5:5. An increase in catalytic activity can be attributed to the formation of p-n heterojunctions of the constituent component along with uniform distribution of CoNiP to effectively utilize the charge carriers for redox reactions. Highly selective oxidation of glycerol to glyceric acid (85\%), along with other minor products, is also demonstrated, which offers further scope to use solar light to generate VAPs in a sustainable manner. A simple comparison of H-2 yield and all oxidized products together indicates the better utilization of holes for the latter, and hence, there is scope to increase HER and possibly the whole photocatalytic activity.
}, keywords = {biomass component, earth-abundantmaterial, energy conversion, organicvalorisation, water splitting}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c05853}, author = {Nivedhitha, Thazhath R. and Bajpai, Himanshu and Oommen, Jiffin Varghese and Abraham, Athira and Chauhan, Inderjeet and Gopinath, Chinnakonda S.} } @article {49062, title = {architecturally rational hemostat for rapid stopping of massive bleeding on anticoagulation therapy}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {121}, year = {2024}, month = {JAN}, pages = {e2316170121}, type = {Article}, abstract = {
Hemostatic devices are critical for managing emergent severe bleeding. With the increased use of anticoagulant therapy, there is a need for next- generation hemostats. We rationalized that a hemostat with an architecture designed to increase contact with blood, and engineered from a material that activates a distinct and undrugged coagulation pathway can address the emerging need. Inspired by lung alveolar architecture, here, we describe the engineering of a next- generation single - phase chitosan hemostat with a tortuous spherical microporous design that enables rapid blood absorption and concentrated platelets and fibrin microthrombi in localized regions, a phenomenon less observed with other classical hemostats without structural optimization. The interaction between blood components and the porous hemostat was further amplified based on the charged surface of chitosan. Contrary to the dogma that chitosan does not directly affect physiological clotting mechanism, the hemostat induced coagulation via a direct activation of platelet Toll - like receptor 2. Our engineered porous hemostat effectively stopped the bleeding from murine liver wounds, swine liver and carotid artery injuries, and the human radial artery puncture site within a few minutes with significantly reduced blood loss, even under the anticoagulant treatment. The integration of engineering design principles with an understanding of the molecular mechanisms can lead to hemostats with improved functions to address emerging medical needs.
}, keywords = {biomaterial, clotting, hemostasis, hemostat, trauma}, issn = {0027-8424}, doi = {10.1073/pnas.2316170121}, author = {Lee, Vivian K. and Lee, Taewoo and Ghosh, Amrit and Saha, Tanmoy and Bais, V. Manish and Bharani, Kala Kumar and Chag, Milan and Parikh, Keyur and Bhatt, Parloop and Namgung, Bumseok and Venkataramanan, Geethapriya and Agrawal, Animesh and Sonaje, Kiran and Mavely, Leo and Sengupta, Shiladitya and Mashelkar, Raghunath Anant and Jang, Hae Lin} } @article {49406, title = {Aroma Alchemy: uridine diphosphate-dependent glycosyltransferases mediated regulation of fruit aroma and flavor biosynthesis}, journal = {Phytochemistry Reviews}, year = {2024}, month = {DEC}, type = {Review; Early Access}, abstract = {
The aroma compounds contribute to fruits flavor, taste, and nutritional value. These compounds include various chemical classes such as terpenoids, lactones, ketones, esters, acids, alcohols, and their derivatives. Uridine diphosphate-dependent glycosyltransferases (UGTs) modify these compounds by covalently adding one or multiple sugar molecules. This glycosylation process converts volatile, unstable, and hydrophobic aroma compounds into hydrophilic, stable, and slow-releasing reservoirs of fruit flavor. The diversity and spatio-temporal expression patterns of UGTs play a crucial role in forming a wide range of glycosylated aroma compounds. This review focuses on aroma-related compounds in both free and glycosylated-bound forms found in commercial vital fruits. We discuss various fruit-specific UGTs and their role in the glycosylation of aroma compounds. Based on structural and functional information on UGTs, we have assessed sugar donor specificity and the residues responsible for the same. Moreover, phylogenetic analysis of characterized UGTs provides insights into their substrate preferences. We also surveyed the expression dynamics of UGTs during fruit ripening, as the switching between aglycon and glycosylated-bound forms of aroma compounds significantly impacts fruit quality. Potential applications of UGTs in the food and fragrance industry have been discussed. The information reviewed could be beneficial for developing novel methods for flavor manipulation of commercially important glycosides derived from natural resources.
}, keywords = {Aroma, Flavor, Fruit, Glycoconjugates, Glycosyltransferase, Volatile compounds}, issn = {1568-7767}, doi = {10.1007/s11101-024-10049-7}, author = {Vare, Tejas B. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {49289, title = {Aromatic (co)polycarbonates bearing pendant 2,3-dimethylmaleimido group based upon a new phthalimidine-containing "cardo" bisphenol}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {61}, year = {2024}, month = {OCT }, pages = {795-804}, type = {Article}, abstract = {
A new {\textquoteleft}{\textquoteleft}cardo{\textquoteright}{\textquoteright} bisphenol viz., 1-(2-(1,1-bis(4-hydroxyphenyl)-3-oxoisoindolin-2-yl)ethyl)-3,4-dimethyl- 1H-pyrrole-2,5-dione (PPH-MA) was synthesized in a two-step reaction sequence starting from phenolphthalein. PPH-MA was utilized as a step-growth monomer for the synthesis of a homo- and fourco-polycarbonates bearing pendant 2,3-dimethylmaleimido groups (PC-MAs) via solution polycondensation of PPH-MA or various mol \% compositions of PPH-MA and bisphenol-A, respectively, with triphosgene.H-1 NMR spectroscopy confirmed the chemical structure and composition of PC-MAs. Inherent viscosity and number average molecular weight values of PC-MAs were in the range 0.45-0.64 dL g(-1) and 18,300 - 36,200 g mol(-1), respectively, indicating the formation of polymers of medium to reasonably high molecular weights. Tough, transparent and flexible films of PC-MAs could be cast from chloroform solution. X-ray diffraction studies indicated the amorphous nature of PC-MAs. The 10\% weight loss temperature (T-10) values of PC-MAs were in the range 373-443 degrees C indicating their good thermal stability.
}, keywords = {(co)polycarbonates, 2, 3-dimethylmaleimido, phenolphthalein, phthalimidine ring, {\textquoteleft}{\textquoteleft}cardo{\textquoteright}{\textquoteright} bisphenol}, issn = {1060-1325}, doi = {10.1080/10601325.2024.2401541}, author = {Talanikar, Aniket A. and Nagane, Samadhan S. and Wadgaonkar, Prakash P. and Rashinkar, Gajanan S.} } @article {49403, title = {Aromatic (Co)polycarbonates bearing pendant norbornenyl groups: Synthesis, characterization and post-polymerization modification}, journal = {High Performance Polymers}, year = {2024}, month = {AUG}, type = {Article; Early Access}, abstract = {
A homo- and three co-polycarbonates (PC-NBs) bearing pendant norbornenyl groups were synthesized via solution polycondensation of triphosgene with 4, 4{\textquoteright}-(bicyclo (2.2.1) hept-5-en-2 yl methylene) bis (2-methoxyphenol) (BPA-NB) or various mol \% compositions of BPA-NB and bisphenol-A, respectively. 1H-NMR spectroscopy confirmed the chemical structure and composition of PC-NBs. Inherent viscosity and number-average molecular weight (Mn) values of PC-NBs were in the range 0.44 - 0.64 dL g-1 and 21,800 - 34,100 g mol-1, respectively, indicating the formation of polymers of medium to reasonably high molecular weights. Tough, transparent, and flexible films of PC-NBs could be cast from chloroform solution. X-Ray diffraction studies indicated the amorphous nature of PC-NBs. Glass transition temperature (Tg) values, determined by DSC analysis, of PC-NBs were in the range 154 - 175 degrees C and Tg values increased with the increase in mol \% of BPA-NB. The post-polymerization modification of a representative PC-NB was demonstrated using 3,6-diphenyl-1,2,4,5-tetrazine via tetrazine-ene reaction.
}, keywords = {(co)polycarbonates, norbornenyl groups, post-polymerization modification, tetrazine-ene click reaction, thermoplastics}, issn = {0954-0083}, doi = {10.1177/09540083241279209}, author = {Talanikar, Aniket A. and Nagane, Samadhan S. and Wadgaonkar, Prakash P. and Rashinkar, Gajanan S.} } @article {49104, title = {Article chitinase inhibition induces transcriptional dysregulation altering ecdysteroid-mediated control of spodoptera frugiperda development}, journal = {Iscience}, volume = {27}, year = {2024}, month = {MAR }, type = {Article}, abstract = {
Chitinases and ecdysteroid hormones are vital for insect development. Crosstalk between chitin and ecdysteroid metabolism regulation is enigmatic. Here, we examined chitinase inhibition effect on Spodopsilencing and overexpression resulted in ecdysone receptor deregulation. Transcription factors, like Neverland, and other ecdysteroid biosynthesis genes might lead to their upregulation in berberine-fed chitinase activity{\textquoteright}s impact on ecdysone biosynthesis and its transcriptional crosstalk.
}, doi = {10.1016/j.isci.2024.109280}, author = {Barbole, Ranjit S. and Sharma, Shivani and Patil, Yogita and Giri, Ashok P. and Joshi, Rakesh S.} } @article {49351, title = {Asymmetric synthesis of inositol derivatives}, journal = {Tetrahedron}, volume = {162}, year = {2024}, month = {AUG}, pages = {134113}, type = {Article}, abstract = {
Both the enantiomers of racemic 4- O -tosyl-6- O -benzyl- myo -inositol-1,3,5-orthoformate ( 2 ) were isolated by preferential crystallization and used to synthesize several enantiomeric myo -inositol derivatives - natural ononitol, natural laminitol, precursors for myo -inositol phosphates and an oxabicyclo [2.2.1] heptane derivative. This work demonstrates the potential of the enantiomeric tosylates D2 and L2 to serve as versatile starting materials for the absolute asymmetric synthesis of inositol derivatives and other natural products from symmetric myo -inositol since no optically active molecular entity was required for the resolution of 2.
}, keywords = {Asymmetric synthesis, Carbohydrate, Cyclitol, Inositol, Natural product}, issn = {0040-4020}, doi = {10.1016/j.tet.2024.134113}, author = {Patil, Nivedita T. and Sarkar, Nitai and Mysore, S. Shashidhar and Gonnade, Rajesh G.} } @article {49391, title = {Atmospheric-pressure continuous-flow methane oxidation to methanol and acetic acid using H2O2 over the Au-Fe catalyst}, journal = {ACS SUSTAINABLE CHEMISTRY \& ENGINEERING}, volume = {12}, year = {2024}, month = {MAY }, pages = {8958-8967}, type = {Journal Article}, keywords = {CO oxidation, HIGHLY SELECTIVE OXIDATION, metal-organic frameworks}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c02993}, author = {Jagtap, Anuradha V. and Kumar, Pawan and Gupta, Sharad and Nagendra, Abharana and Jha, Shambhu Nath and Bhattacharyya, D. and Ajithkumar, Thalasseril G. and Vinod, C. P.} } @article {49652, title = {Attempted synthesis of the central 2,2-disubstituted pseudoindoxyl core of Austamide via a [Au]-catalyzed nitroalkyne cycloisomerization and intramolecular [3+2]-cycloaddition}, journal = {Tetrahedron}, volume = {167}, year = {2024}, month = {NOV }, pages = {134301}, type = {Article}, abstract = {
Herein, we describe an Au-catalyzed cycloisomerization process of a nitroalkyne that was projected to construct the central 2,2-disubstituted pseudoindoxyl core of the natural product Austamide. Our intended strategy for forging the pseudoindoxyl core is based on the nitroalkyne cycloisomerization followed by a subsequent intramolecular [3 + 2] cycloaddition. However, the [3 + 2] cycloaddition occurred in an undesired manner, ultimately leading to a complex hexacyclic scaffold.
}, keywords = {Austamide, Gold catalysis, Intramolecular [3+2] cycloaddition, Nitroalkyne cycloisomerization}, issn = {0040-4020}, doi = {10.1016/j.tet.2024.134301}, author = {Halnor, Swapnil V. and Ramana, Chepuri V.} } @article {49315, title = {Bacterial nanocellulose: a versatile biopolymer production using a cost-effective wooden disc based rotary reactor}, journal = {Biopolymers}, volume = {115}, year = {2024}, month = {JUL}, type = {Article}, abstract = {
Bacterial nanocellulose (BNC) has various unique qualities, including high mechanical strength, crystallinity, and high water-holding capacity, which makes it appropriate for a wide range of industrial applications. But its lower yield coupled with its high production cost creates a barrier to its usage. In this study, we have demonstrated the better yield of BNC from an indigenous strain Komagataeibacter rhaeticus MCC-0157 using a rotary disc bioreactor (RDB) having a wooden disc. The RDB was optimized based on the type of disc material, distance between the disc, and rotation speed to get the highest yield of 13.0 g/L dry material using Hestrin-Schramm (H-S) medium. Further, the bioreactor was compared for the BNC production using reported medium, which is used for static condition; the RDB showed up to fivefold increase in comparison with the static condition reported. Komagataeibacter rhaeticus MCC-0157 was previously reported to be one of the highest BNC producing stains, with 8.37 g/L of dry yield in static condition in 15 days incubation. The designed RDB demonstrated 13.0 g/L dry yield of BNC in just 5 days. Other characteristics of BNC remain same as compared with static BNC production, although the difference in the crystallinity index was observed in RDB (84.44\%) in comparison with static (89.74\%). For the first time, wooden disc was used for rotary bioreactor approach, which demonstrated higher yield of BNC in lesser time and can be further used for sustainable production of BNC at the industrial level. image
}, keywords = {bacterial nanocellulose, rotary reactor, Sustainability, wooden disc}, issn = {0006-3525}, doi = {10.1002/bip.23577}, author = {Jagtap, Ashish and Dastager, Syed G.} } @article {48961, title = {Bacteriophages: status quo and emerging trends toward one health approach}, journal = {Science of The Total Environment}, volume = {908}, year = {2024}, month = {JAN}, type = {Review}, abstract = {
The alarming rise in antimicrobial resistance (AMR) among the drug-resistant pathogens has been attributed to the ESKAPEE group (Enterococcus faecium, Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumanii, Pseudomonas aeruginosa, Enterobacter sp., and Escherichia coli). Recently, these AMR microbes have become difficult to treat, as they have rendered the existing therapeutics ineffective. Thus, there is an urgent need for effective alternatives to lessen or eliminate the current infections and limit the spread of emerging diseases under the {\textquoteleft}{\textquoteleft}One Health{\textquoteright}{\textquoteright} framework. Bacteriophages (phages) are naturally occurring biological resources with extraordinary potential for biomedical, agriculture/food safety, environmental protection, and energy production. Specific unique properties of phages, such as their bactericidal activity, host specificity, potency, and biocompatibility, make them desirable candidates in therapeutics. The recent biotechnological advancement has broadened the repertoire of phage applications in nanoscience, material science, physical chemistry, and soft
}, keywords = {Antimicrobial resistance (AMR), Bacteriophages, One-health, Therapeutics commercialization}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2023.168461}, author = {Samson, Rachel and Dharne, Mahesh and Khairnar, Krishna} } @article {49053, title = {Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates}, journal = {Organic and biomolecular chemistry}, volume = {22}, year = {2024}, month = {FEB}, pages = {1727-1732}, type = {Article}, abstract = {
In this study, we developed a novel methodology involving a base-controlled, rongalite-mediated reductive/aldol reaction, followed by cyclization of isatylidene malononitriles/cyanoacetates, resulting in the synthesis of spiro[2,3-dihydrofuran-3,3 {\textquoteleft}-oxindole]. Additionally, we have disclosed a rongalite-mediated dimerization process for isatylidene malononitriles, yielding dispiro[cyclopent-3 {\textquoteleft}-ene]bisoxindole. The utilization of rongalite in this reaction serves a dual purpose, acting both as a reducing agent and a C1 synthon. The developed approach has several advantages like a simple reaction setup, a wide substrate scope, requiring less time, using water as a green solvent, no metal or catalyst is required and products can be easily isolated via filtration with excellent yields under mild reaction conditions. A novel methodology was developed for the synthesis of spiro[2,3-dihydrofuran-3,3 {\textquoteleft}-oxindole] and dispiro[cyclopent-3 {\textquoteleft}-ene]bisoxindole under mild reaction conditions using inexpensive reagents.
}, issn = {1477-0520}, doi = {10.1039/d3ob01794j}, author = {Chaudhari, Suryakant S. and Nichinde, Chandrakant B. and Patil, Baliram R. and Girase, Amardipsing S. and Rama Krishna, Gamidi and Kinage, Anil K.} } @article {49382, title = {Biexciton emission in CsPbBr3 nanocrystals: polar facet matters}, journal = {Nano Letters}, volume = {24}, year = {2024}, month = {AUG }, pages = {10434-10442}, type = {Article}, abstract = {
The metal halide perovskite nanocrystals exhibit a remarkable tolerance to midgap defect states, resulting in high photoluminescence quantum yields. However, the potential of these nanocrystals for applications in display devices is hindered by the suppression of biexcitonic emission due to various Auger recombination processes. By adopting single-particle photoluminescence spectroscopy, herein, we establish that the biexcitonic quantum efficiency increases with the increase in the number of facets on cesium lead bromide perovskite nanocrystals, progressing from cube to rhombic dodecahedron to rhombicuboctahedron nanostructures. The observed enhancement is attributed mainly to an increase in their surface polarity as the number of facets increases, which reduces the Coulomb interaction of charge carriers, thereby suppressing Auger recombination. Moreover, Auger recombination rate constants obtained from the time-gated photon correlation studies exhibited a discernible decrease as the number of facets increased. These findings underscore the significance of facet engineering in fine-tuning biexciton emission in metal halide perovskite nanocrystals.
}, keywords = {Auger recombination, biexciton emission, Cs-133 MAS NMR spectroscopy, Perovskites, time-gatedphoton correlation}, issn = {1530-6984}, doi = {10.1021/acs.nanolett.4c01186}, author = {Titus, Timi and Vishnu, E. Krishnan and Garai, Arghyadeep and Dutta, Sumit Kumar and Sandeep, Kuttysankaran and Shelke, Ankita and Ajithkumar, Thalasseril G. and Shaji, Anil and Pradhan, Narayan and Thomas, K. George} } @article {49419, title = {Bimetallic and plasmonic Ag and Cu integrated TiO2 thin films for enhanced solar hydrogen production in direct sunlight}, journal = {Energy Advances}, volume = {3}, year = {2024}, month = {APR}, pages = {829-840}, type = {Article}, abstract = {

Plasmonic metal nanoparticle-integrated mesoporous TiO2\ nanocomposites (Ag/TiO2, Cu/TiO2\ and Ag{\textendash}Cu/TiO2), prepared by a simple chemical reduction method, have been demonstrated to show superior activity in thin-film form for solar H2\ generation in sunlight. Integration of Ag + Cu on TiO2\ significantly enhances the solar H2\ production due to the combined SPR effect of both metal species and the possible synergistic interaction among Cu + Ag in Ag{\textendash}Cu/TiO2. TiAgCu-1 (0.75 wt\% Ag and 0.25 wt\% Cu on TiO2) showed the highest H2\ yield of 6.67 mmol h-1\ g-1\ and it is 43 times higher than that of bare TiO2. The thin-film form of TiAgCu-1 shows 5 times higher solar H2\ production than its powder counterpart. 1 wt\% of Ag or Cu on TiO2\ shows a H2\ yield of 4.6 or 2 mmol h-1\ g-1, respectively, which underscores the importance of combined or synergistic effects. The increase in solar H2\ generation in Ag{\textendash}Cu/TiO2\ is attributed to factors such as the SPR effect of Cu and Ag, and strong interaction between Ag and Cu. The high photocatalytic efficiency of the TiAgCu-1 thin film is attributed to the large dispersion of metallic species with relatively high Ag/Cu surface atomic ratio, enhanced light absorption, a heterogeneous distribution of Ag and Cu species, and high double layer capacitance. The inter particle mesoporous network increases the interfacial charge transfer and reduces the mass transfer limitations. The plausible photocatalytic reaction mechanism could involve the combination of direct electron transfer from metal (Cu/Ag) to TiO2\ as well as the significant field effect due to the Ag{\textendash}Cu alloy, which is expected to increase the electron excitation locally.

Plasmonic metal nanoparticle integrated mesoporous TiO2\ nanocomposites (Ag/TiO2, Cu/TiO2\ and Ag{\textendash}Cu/TiO2), prepared by a simple chemical reduction method, have been demonstrated to show superior activity in thin-film form for solar H2\ generation.

\
}, doi = {https://doi.org/10.1039/d4ya00056k}, author = {Mani, Sunesh S. and Rajendran, Sivaraj and Arun, Pushkaran S. and Vijaykumar, Aparna and Mathew, Thomas and Gopinath, Chinnakonda S.} } @article {49293, title = {Biobased reusable nonisocyanate polyurethane hot-melt adhesives with potential chemical degradability}, journal = {ACS Applied Polymer Materials}, volume = {6}, year = {2024}, month = {SEP}, pages = {11180-11192}, type = {Article}, abstract = {
Hot-melt adhesives (HMAs) derived from renewable resources are always attractive, as they promote less dependence on fossil resources and aid in developing environmentally friendly materials. However, developing sustainable HMAs exhibiting good adhesive performance and biodegradability remains challenging. Herein, reusable biobased HMAs with a high bio content of 88-90\%, biodegradability, and tunable adhesive nature were developed as a possible alternative to conventional petroleum-based hot-melt adhesives. Moreover, the structure-property relationship of the product was investigated in detail. By tailoring the monomer composition, NIPU-40 HMA exhibited a good bonding ability with a superior adhesion strength of 6.39 MPa. To the best of our knowledge, this is the highest adhesion strength observed when bonding with an Al substrate among the biobased thermoplastic NIPU-HMAs. Impressively, NIPU-HMAs could display excellent reusability even after three bonding and debonding cycles without a significant drop in the adhesive strength and were found to exhibit good adhesion performance under wet conditions. More importantly, the NIPU-HMAs are prone to degradation under acid-catalyzed conditions. Considering their features, these biobased NIPU thermoplastic hot-melt adhesives offer an opportunity to create environmentally friendly, degradable adhesives that possess excellent adhesive strength and can be reused multiple times.
}, keywords = {acid degradability, biobased NIPUs, cyclic carbonates, hot meltadhesives, lap shearstrength, spiro-aromatic}, issn = {2637-6105}, doi = {10.1021/acsapm.4c01526}, author = {Ghuge, Gorakh Hiraman and Torris, Arun and Nair, Kiran Sukumaran} } @article {49257, title = {Biocatalysis enables the scalable conversion of biobased furans into various furfurylamines}, journal = {NATURE COMMUNICATIONS}, volume = {15}, year = {2024}, month = {JUL }, type = {Journal Article}, keywords = {Biomass, OMEGA-TRANSAMINASE, OXIDASE, Reductive amination, SPECIFICITY}, doi = {10.1038/s41467-024-50637-x}, author = {Giri, Pritam and Lim, Seonga and Khobragade, Taresh P. and Pagar, Amol D. and Patil, Mahesh D. and Sarak, Sharad and Jeon, Hyunwoo and Joo, Sangwoo and Goh, Younghwan and Jung, Seohee and Jang, Yu-Jeong and Choi, Seung Beom and Kim, Ye Chan and Kang, Taek Jin and Heo, Yong-Seok and Yun, Hyungdon} } @article {49380, title = {Biocompatible PVAc-g--PLLA acrylate polymers for DLP 3D printing with tunable mechanical properties}, journal = {ACS APPLIED MATERIALS \& INTERFACES}, volume = {16}, year = {2024}, month = {OCT }, pages = {62594-62605}, type = {Journal Article}, keywords = {acid, copolymers, polymerization, TACONIC ANHYDRIDE}, issn = {1944-8244}, doi = {10.1021/acsami.4c11285}, author = {Pal, Shibam and Gavhane, Utreshwar Arjun and Asha, S. K.} } @article {49087, title = {Biodegradable and 3D printable lysine functionalized polycaprolactone scaffolds for tissue engineering applications}, journal = {Biomaterials Advances}, volume = {159}, year = {2024}, month = {MAY}, pages = {213816}, type = {Article}, abstract = {
Tissue engineering (TE) has sparked interest in creating scaffolds with customizable properties and functional bioactive sites. However, due to limitations in medical practices and manufacturing technologies, it is challenging to replicate complex porous frameworks with appropriate architectures and bioactivity in vitro. To address these challenges, herein, we present a green approach that involves the amino acid (L-lysine) initiated polymerization of epsilon-caprolactone (CL) to produce modified polycaprolactone (PCL) with favorable active sites for TE applications. Further, to better understand the effect of morphology and porosity on cell attachment and proliferation, scaffolds of different geometries with uniform and interconnected pores are designed and fabricated, and their properties are evaluated in comparison with commercial PCL. The scaffold morphology and complex internal micro-architecture are imaged by micro-computed tomography (micro-CT), revealing pore size in the range of similar to 300-900 mu m and porosity ranging from 30 to 70 \%, while based on the geometry of scaffolds the compressive strength varied from 143 +/- 19 to 214 +/- 10 MPa. Additionally, the degradation profiles of fabricated scaffolds are found to be influenced by both the chemical nature and product design, where Lys-PCL-based scaffolds with better porosity and lower crystallinity degraded faster than commercial PCL scaffolds. According to in vitro studies, Lys-PCL scaffolds have produced an environment that is better for cell adhesion and proliferation. Moreover, the scaffold design affects the way cells interact; Lys-PCL with zigzag geometry has demonstrated superior in vitro vitality (\>90 \%) and proliferation in comparison to other designs. This study emphasizes the importance of enhancing bioactivity while meeting morphology and porosity requirements in the design of scaffolds for tissue engineering applications.
}, keywords = {Additive manufacturing, Amino acid, Micro-computed tomography, Polycaprolactone}, doi = {10.1016/j.bioadv.2024.213816}, author = {Naik, Sonali S. and Torris, Arun and Choudhury, Namita R. and Dutta, Naba K. and Nair, Kiran Sukumaran} } @article {48960, title = {Bioprocess optimization of penicillium funiculosum NCIM 1228 for improved production and hydrolytic efficiency of cellulases on sugarcane bagasse}, journal = {Sugar Tech}, volume = {26}, year = {2024}, month = {FEB}, pages = {215-233}, type = {Journal Article}, abstract = {
The cellulase enzyme is currently the world{\textquoteright}s third largest commercial enzyme. Because of its requirement in various industries like textiles, food, waste management, pharmaceuticals, agriculture, pulp paper, biofuels, and others, its demand curve has increased sharply. The response surface methodology (RSM) approach was employed to optimize media components and process parameters in the current investigation, which successfully increased the cellulase production from Penicillium funiculosum NCIM 1228. Statistical optimization for the hyperproduction of cellulases was conducted using RSM. The Plackett-Burman design (PBD) approach was used to investigate the critical factors of the cellulase production medium. Subsequently, the Box-Behnken design (BBD) method was used to statistically estimate optimum values and conditions that substantially impacted cellulase production. The estimated optimal combinations of parameters for cellulase production were urea (0.2\%), CaCl2 (0.2\%), MgSO4 (0.05\%), peptone (1.5\%), microcrystalline cellulose (5.0\%), wheat bran (2.5\%), corn steep liquor (CSL) (2.5\%), KH2PO4 (0.15\%), inoculum (10.65\%), agitation (157 rpm), pH (5.88), and temperature (29.84 C-degrees). Conclusively, experimental validation under optimal conditions detected an increased production of 3.82- and 3.61-fold in filter paper assay (FPase) and beta-glucosidase, respectively. Additionally, 1.66- and 1.57-fold enhancement in FPase and beta-glucosidase specific activity was observed where an xylanase activity was enhanced by 3.29-fold. Furthermore, the enzyme showed 51.30 per cent hydrolysis efficiency on sugarcane bagasse lignocellulosic biomass (LCB), at a dose of 7 FPase units per g of cellulose. P. funiculosum NCIM 1228 offers the benefit of producing cellulase with an entire cellulolytic system of enzymes that can be synthesized extracellularly, thus acting as a promising biocatalyst for biofuel industries.
}, keywords = {Cellulase, Lignocellulosic biomass, Penicillium funiculosum, Response surface methodology, Submerged fermentation, Xylanase}, issn = {0972-1525}, doi = {10.1007/s12355-023-01324-6}, author = {Chavan, Sambhaji B. and Shete, Ashvini M. and Dharne, Mahesh S.} } @article {48937, title = {Bi(OTf)3-promoted cascade annulation of hydroxy-pyranones and unsaturated γ-ketoesters for the construction of polycyclic bridged pyrano-furopyranones}, journal = {Organic and biomolecular chemistry}, volume = {22}, year = {2024}, month = {JAN }, pages = {496-500}, type = {Article}, abstract = {
An efficient protocol for constructing complex three dimensional polycyclic bridged chromano-furopyranones and pyrano-furopyranones (closely related to bioactive natural products) via bismuth(III)-catalyzed cascade annulation of hydroxy-pyranones and unsaturated gamma-ketoesters is presented. This process involves intermolecular Michael addition, intramolecular hemiketalization, lactonization, formation of one C-C bond and two C-O bonds, rings, and contiguous stereocenters.
}, keywords = {1 3-Dicarbonyl Compounds, alkynols, Coumarins, Fungus}, issn = {1477-0520}, doi = {10.1039/d3ob01862h}, author = {Rathod, Akshay B. and Borade, Balasaheb R. and Sambherao, Pooja I. and Kontham, Ravindar} } @article {49068, title = {Bismuth ferrite based acetone gas sensor: evaluation of graphene oxide loading}, journal = {RSC Advances }, volume = {14}, year = {2024}, month = {JAN }, pages = {1367-1376}, type = {Article}, abstract = {
We report a BiFeO3/graphene oxide (BFO/GO) perovskite, synthesized using a CTAB-functionalized glycine combustion route, as a potential material for acetone gas sensing applications. The physicochemical properties of the developed perovskite were analysed using XRD, FE-SEM, TEM, HRTEM, EDAX and XPS. The gas sensing performance was analysed for various test gases, including ethanol, acetone, propanol, ammonia, nitric acid, hydrogen sulphide and trimethylamine at a concentration of 500 ppm. Among the test gases, the developed BFO showed the best selectivity towards acetone, with a response of 61\% at an operating temperature of 250 degrees C. All the GO-loaded BFO samples showed an improved gas sensing performance compared with pristine BFO in terms of sensitivity, the response/recovery times, the transient response curves and the stability. The 1 wt\% GO-loaded BiFeO3 sensor showed the highest sensitivity of 89\% towards acetone (500 ppm) at an operating temperature of 250 degrees C. These results show that the developed perovskites have significant potential for use in acetone gas sensing applications. CTAB-functionalized glycine combustion yields BiFeO3/graphene oxide (BFO/GO) perovskite for acetone gas detection.
}, doi = {10.1039/d3ra06733e}, author = {Ghadage, Pandurang and Shinde, K. P. and Nadargi, Digambar and Nadargi, Jyoti and Shaikh, Hamid and Alam, Mohammad Asif and Mulla, Imtiaz and Tamboli, Mohaseen S. and Park, J. S. and Suryavanshi, Sharad} } @article {49445, title = {Block copolymer self-assembly: exploitation of hydrogen bonding for nanoparticle morphology control via incorporation of triazine based comonomers by RAFT polymerization}, journal = {Small}, volume = {20}, year = {2024}, month = {OCT}, pages = {2401129}, type = {Article}, abstract = {
Synthesis of polymeric nanoparticles of controlled non-spherical morphology is of profound interest for a wide variety of potential applications. Self-assembly of amphiphilic diblock copolymers is an attractive bottom-up approach to prepare such nanoparticles. In the present work, RAFT polymerization is employed to synthesize a variety of poly(N,N-dimethylacrylamide)-b-poly[butyl acrylate-stat-GCB] copolymers, where GCB represents vinyl monomer containing triazine based Janus guanine-cytosine nucleobase motifs featuring multiple hydrogen bonding arrays. Hydrogen bonding between the hydrophobic blocks exert significant influence on the morphology of the resulting nanoparticles self-assembled in water. The Janus feature of the GCB moieties makes it possible to use a single polymer type in self-assembly, unlike previous work exploiting, e.g., thymine-containing polymer and adenine-containing polymer. Moreover, the strength of the hydrogen bonding interactions enables use of a low molar fraction of GCB units, thereby rendering it possible to use the present approach for copolymers based on common vinyl monomers for the development of advanced nanomaterials.
}, doi = { https://doi.org/10.1002/smll.202401129}, author = {Haque, Farah and Thompson, Steven W. and Ishizuka, Fumi and Kuchel, Rhiannon P. and Singh, Dharmendra and Sanjayan, Gangadhar J. and Zetterlund, Per B.} } @article {49100, title = {Boron- and oxygen-doped π-extended helical nanographene with circularly polarised thermally activated delayed fluorescence}, journal = {Chemistry-A European Journal}, volume = {30}, year = {2024}, month = {APR }, type = {Article}, abstract = {
Helical nanographenes have garnered substantial attention owing to their finely adjustable optical and semiconducting properties. The strategic integration of both helicity and heteroatoms into the nanographene structure, facilitated by a boron-oxygen-based multiple resonance (MR) thermally activated delayed fluorescence (TADF), elevates its photophysical and chiroptical features. This signifies the introduction of an elegant category of helical nanographene that combines optical (TADF) and chiroptical (CPL) features. In this direction, we report the synthesis, optical, and chiroptical properties of boron, oxygen-doped pi-extended helical nanographene. The pi-extension induces distortion in the DOBNA-incorporated nanographene, endowing a pair of helicenes, (P)-B2NG, and (M)-B2NG exhibiting circularly polarized luminescence with glum of -2.3x10-3 and +2.5x10-3, respectively. B2NG exhibited MR-TADF with a lifetime below 5 mu s, and a reasonably high fluorescence quantum yield (50 \%). Our molecular design enriches the optical and chiroptical properties of nanographenes and opens up new opportunities in multidisciplinary fields. B, O-doped pi-extended helical nanographene has been explored for its optical and chiroptical properties. The presence of helical and nanographene segments stabilize the helicity and imparts tunable optical properties. Helical nanographene display circularly polarized thermally activated delayed fluorescence. image
}, keywords = {circularly polarized luminescence, DOBNA, dual emission, nanographene, TADF}, issn = {0947-6539}, doi = {10.1002/chem.202304169}, author = {Venugopal, Geethu and Kumar, Viksit and Jadhav, Ashok Badrinarayan and Dongre, Sangram D. and Khan, Abujunaid and Gonnade, Rajesh and Kumar, Jatish and Santhosh Babu, Sukumaran} } @article {49203, title = {Breaking the inactivity of MXenes to drive Ampere-level selective oxygen evolution reaction in seawater}, journal = {MATERIALS SCIENCE \& ENGINEERING R-REPORTS}, volume = {160}, year = {2024}, month = {SEP}, pages = {100835}, type = {Review}, keywords = {2D heterostructures, Metal-organic framework, Oxygen Evolution Reaction}, issn = {0927-796X}, doi = {10.1016/j.mser.2024.100835}, author = {Gbadamasi, Sharafadeen and Loomba, Suraj and Haris, Muhammad and Khan, Muhammad Waqas and Maibam, Ashakiran and Mousavi, Seyed Mahdi and Mahmud, Sofiu and Thomsen, Lars and Tadich, Anton and BabaRao, Ravichandar and Xian, Jian and Mahmood, Nasir} } @article {49360, title = {Breaking the Pt electron symmetry and OH spillover towards ptir active center for performance modulation in direct ammonia fuel cell}, journal = {Small}, volume = {20}, year = {2024}, month = {DEC}, type = {Article}, abstract = {
The growing interest in low-temperature direct ammonia fuel cells (DAFCs) arises from the utilization of a carbon-neutral ammonia source; however, DAFCs encounter significant electrode overpotentials due to the substantial energy barrier of the *NH2 to *NH dehydrogenation, compounded by the facile deactivation by *N on the Pt surface. In this work, a unique catalyst, Pt4Ir@AlOOH/NGr i.e., Pt4Ir/ANGr, is introduced composed of PtIr alloy nanoparticles controllably decorated on the pseudo-boehmite phase of AlOOH-supported nitrogen-doped reduced graphene (AlOOH/NGr) composite, synthesized via the polyol reduction method. The detailed studies on the structural and electronic properties of the catalyst by XAS and VB-XPS reveal the possible electronic modulations. The optimized Pt4Ir/ANGr composition exhibits a significantly improved onset potential and mass activity for AOR. The DFT study confirms the OHad species spillover by AlOOH and Pt4Ir (100) facilitates the conversion of the *NH2 to *NH with minimal energy barriers. Finally, testing of DAFC at the system level using a membrane electrode assembly (MEA) with Pt4Ir/ANGr as the anode catalyst, demonstrating the suitability of the catalyst for its practical applications. This study thus uncovers the potential of the Pt4Ir catalyst in synergy with ANGr, largely addressing the challenges in hydrogen transportation, storage, and safety within DAFCs. In this article, a versatile catalyst, Pt4Ir/ANGr, is introduced composed of PtIr alloy nanoparticles decorated on AlOOH/NGr composite. The AlOOH provides an -OH-rich surface conducive to the facile adsorption and decoration of the PtIr alloy nanoparticles and OHad species spillover from AlOOH to the Pt4Ir active center during AOR, further validating the higher experimental activity obtained in Pt4Ir/ANGr. image
}, keywords = {ammonia oxidation reaction (AOR), d-band center, density functional theory (DFT) study, direct ammonia fuel cells, hydroxyl spillover effect, XAS analysis}, issn = {1613-6810}, doi = {10.1002/smll.202406589}, author = {Barik, Sidharth and Kharabe, Geeta Pandurang and Samal, Pragnya Paramita and Urkude, Rajashri R. and Kumar, Sachin and Yoyakki, Athira and Vinod, C. P. and Krishnamurty, Sailaja and Kurungot, Sreekumar} } @article {49214, title = {Bridging the gap: an investigation of biosurfactants-polymer systems}, journal = {Current Opinion in Colloid \& Interface Science}, volume = {72}, year = {2024}, month = {AUG}, pages = {101806}, type = {Review}, abstract = {
Biosurfactants (BSs) have been extensively researched due to their potential applications in various fields, including textiles, cosmetics, pharmaceuticals, agriculture, and oil remediation. These BSs possess a diverse range of physical, chemical, and biological properties. In recent years, researchers have combined these biosurfactants with both natural and synthetic polymers, resulting in the development of advanced material systems that exhibit a unique combination of properties. This review focuses on highlighting the recent advancements in these biosurfactant-polymer material systems and identifies existing gaps in the literature. The combination of biosurfactants with polymers has led to the formation of interpenetrated hydrogels, films, chemically modified surfaces, vesicles, functionalized nanofiber nonwoven mats, nano-formulations, and nano-assemblies. Some studies have also investigated the interactions between biosurfactants and polymer molecules. In most cases, non-specific, non-covalent interactions, such as electrostatic interactions, hydrogen bonding, and hydrophobic interactions have been found to govern the properties of these systems. Moreover, promising results have been achieved through the covalent modification of polymer surfaces, followed by functionalization using biosurfactant molecules. The literature demonstrates that these advanced materials could find applications in various fields, including drug delivery, bioremediation, biomedical materials, and as antimicrobial agents. These findings indicate the promising potential of biosurfactant-polymer systems for future advancements in these areas.
}, issn = {1359-0294}, doi = {10.1016/j.cocis.2024.101806}, author = {Abhyankar, Isha and Hirlekar, Swarali and Prabhune, Asmita and Nisal, Anuya} } @article {49024, title = {Bronsted acid-promoted cyclodimerization of α,β-unsaturated γ-ketoesters: construction of fused pyrano-ketal-lactones and γ-ylidene-butenolides}, journal = {ACS Omega}, volume = {9}, year = {2024}, month = {APR }, pages = {19859-19878}, type = {Article}, abstract = {
Unprecedented MsOH-promoted diastereoselective cascade dimerization and intramolecular lactonization of readily accessible alpha,beta-unsaturated gamma-ketoesters are presented. The results obtained in this work, control experiments, and density functional theory (DFT) calculations suggested that the initial enolization and E to Z isomerization/equilibration of olefin (C=C) of substrate alpha,beta-unsaturated gamma-ketoesters give a Z-isomer preferentially over an E-isomer. Subsequently, the Z-isomer undergoes intermolecular annulation with alpha,beta-unsaturated gamma-ketoesters via domino Michael addition/ketalization/lactonization steps to furnish fused tetracyclic pyrano-ketal-lactone. However, the Z-isomer prefers intramolecular trans-esterification in a competing pathway and gives bicyclic gamma-ylidene-butenolide. The key features of this work include simple Br \& oslash;nsted acid catalysis, the formation of three bonds, two rings, and three contiguous stereogenic centers in a single step, DFT calculations, and the assignment of relative stereochemistry through X-ray diffraction (XRD) and two-dimensional (2D) nuclear magnetic resonance (NMR) analyses.
}, issn = {2470-1343}, doi = {10.1021/acsomega.3c08873}, author = {Vinodkumar, Ramavath and Nakate, Ashwini K. and Sharma, Himanshu and Vanka, Kumar and Rama Krishna, Gamidi and Kontham, Ravindar} } @article {49092, title = {Br{\o}nsted acid- and Ni(ii)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents}, journal = {Organic and biomolecular chemistry}, volume = {22}, year = {2024}, month = {JAN }, pages = {1038-1046}, type = {Article}, abstract = {
This paper describes a simple and practical protocol for the direct synthesis of acyclic and cyclic quinone derivatives via an acid-promoted nickel(ii)-catalyzed inner rim C-H oxidation of cyclotriveratrylene (CTV) and its analogues. The cyclic quinone derivatives resulted from trimethoxy-cyclotriveratrylene (TCTV) through C-C bond formation via intramolecular ipso substitution followed by subsequent anionic rearrangement containing stereo-vicinal quaternary centers. The DFT calculations strongly support the experimental findings and reveal the role of Bronsted acids in the C-H bond activation of CTV. All the newly synthesized compounds were screened for their in vitro anti-cancer activity using colorimetric SRB assay analysis. Among them, compounds 3a, 3d, 3h, 4a, 4b, 4c and 4e exhibited moderate anticancer activity against A549, HCT-116, PC-3, MDA-MB-231, HEK-293 and SW620 human cancer cell lines.
}, issn = {1477-0520}, doi = {10.1039/d3ob01428b}, author = {Darole, Ratanamala S. and Choudhary, Shailendra Singh and Sharma, Himanshu and Mali, Bhupendra P. and Gopu, Booblan and Vanka, Kumar and Senthilkumar, Beeran} } @article {49205, title = {Catalytic cycloisomerization-oxidative cyclization reaction sequence of enyne diesters derived from 2-propargyloxyarylaldehydes}, journal = {Organic Letters}, volume = {26}, year = {2024}, month = {NOV }, pages = {9793-9798}, type = {Article}, abstract = {
Enyne diesters derived from 2-propargyloxyarylaldehydes are converted into 2-oxopyranochromenes via In(OTf)3-catalyzed cycloisomerization and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ)-mediated oxidative cyclization reaction sequence in one pot. The process possesses broad substrate scope and good functional group compatibility and generates various 4-(hetero)aryl-substituted 2-oxopyranochromenes in 32-79\% yields (over two steps). 2-Oxopyranochromenes undergo selective decarboxylation under Krapcho conditions. When treated with aliphatic secondary amines in DMF, 2-oxopyranochromenes undergo decarboxylative amination at ambient temperature to generate 2-amino-substituted functionalized chromenes in good yields.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.4c03856}, author = {Prajapati, Karmdeo and Saini, Manoj Kumar and Gonnade, Rajesh G. and Basak, Ashok K.} } @article {49317, title = {Catechol- and phenolic hydroxyl-functionalized partially bio-based (Co) poly(ether sulfone)s with multifarious applicability}, journal = {European Polymer Journal}, volume = {220}, year = {2024}, month = {NOV}, pages = {113484}, type = {Article}, abstract = {
A largely bio-based new bisphenol, namely, 4,4 {\textquoteleft}-((3,4-dimethoxyphenyl)methylene)-bis(2-methoxyphenol) (DMBM) was synthesized by the reaction of veratraldehyde with guaiacol. DMBM and varying compositions of DMBM and bisphenol A were polycondensed with bis(4-fluorophenyl) sulfone to afford reasonably high molecular weight film-forming (co)poly(ether sulfone)s possessing built-in methoxyl groups. T10 and Tg values of (co)poly(ether sulfone)s were in the range 382-478 degrees C and 171-187 degrees C, respectively indicating their good thermal stability and the values decreased with increase in mol \% incorporation of DMBM. The methoxyl groups present in (co)poly (ether sulfone)s were quantitatively de-blocked resulting in the formation of corresponding polymers possessing pendant catechol moieties and free phenolic hydroxyl groups. By virtue of the presence of these functional moieties, (co)poly(ether sulfone)s are amenable for post-polymerization modifications, and exhibited properties such as antimicrobial (23 mm against Staphylococcus aureus and 18 mm against Escherichia coli)), antioxidant (72 \% scavenger of free radicals), adhesive (2.24 MPa lap shear strength) and usefulness as redox-active agent in zinc-ion batteries. These data underscore the promise of DMBM as a versatile monomer of wider utility for the synthesis of functional (co)poly(ether sulfone)s capable of expanding their applicability beyond the conventional ones.
}, keywords = {(Co)poly(ether sulfone)s, adhesive, Antimicrobial, Antioxidant, bio-based, bisphenol, Zinc-ion batteries}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2024.113484}, author = {Wale, Apparav K. and Jagtap, Ashish S. and Pandey, Priyanshi R. and Dastager, Syed G. and Shelke, Manjusha V. and Ambade, Ashootosh V. and Wadgaonkar, Prakash P.} } @article {49651, title = {Cathode|electrolyte interface engineering by a hydrogel polymer electrolyte for a 3D porous high-voltage cathode material in a quasi-solid-state zinc metal battery by in situ polymerization}, journal = {SMALL}, volume = {20}, year = {2024}, month = {OCT}, pages = {2403158}, type = {Article}, abstract = {
This work highlights the development of a superior cathode|electrolyte interface for the quasi solid-state rechargeable zinc metal battery (QSS-RZMB) by a novel hydrogel polymer electrolyte using an ultraviolet (UV) light-assisted in situ polymerization strategy. By integrating the cathode with a thin layer of the hydrogel polymer electrolyte, this technique produces an integrated interface that ensures quick Zn2+ ion conduction. The coexistence of nanowires for direct electron routes and the enhanced electrolyte ion infiltration and diffusion by the 3D porous flower structure with a wide open surface of the Zn-MnO electrode complements the interface formation during the in situ polymerization process. The QSS-RZMB configured with an integrated cathode (i-Zn-MnO) and the hydrogel polymer electrolyte (PHPZ-30) as the separator yields a comparable specific energy density of 214.14 Wh kg(-1) with that of its liquid counterpart (240.38 Wh kg(-1), 0.5 M Zn(CF3SO3)(2) aqueous electrolyte). Other noteworthy features of the presented QSS-RZMB system include its superior cycle life of over 1000 charge-discharge cycles and 85\% capacity retention with 99\% coulombic efficiency at the current density of 1.0 A g(-1), compared to only 60\% capacity retention over 500 charge-discharge cycles displayed by the liquid-state system under the same operating conditions.
}, keywords = {cathode-electrolyte interface tuning, dendrite inhibition, epitaxial zinc deposition, hydrogel polymer electrolyte, In situ polymerization, Quasi solidstate rechargeable zinc metal battery}, issn = {1613-6810}, doi = {10.1002/smll.202403158}, author = {Puthiyaveetil, Priyanka Pandinhare and Torris, Arun and Dilwale, Swati and Kanheerampockil, Fayis and Kurungot, Sreekumar} } @article {49386, title = {Cell based assay using virus-like particles to screen AM type mimics for SARS-CoV-2 neutralisation}, journal = {BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS}, volume = {718}, year = {2024}, month = {JUL }, pages = {150082}, type = {Journal Article}, keywords = {MINIPROTEINS}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2024.150082}, author = {Gaur, Neeraj Kailash and Urankar, Shreegauri and Sengupta, Durba and Chepuri, V. Ramana and Makde, Ravindra D. and Kulkarni, Kiran} } @article {49359, title = {C-H functionalization of imidazo[1,5-a]pyridines: a metal-free approach for methylene insertion to access C(sp2)-C(sp3)-H-C(sp2) bond formation}, journal = {ACS Omega}, volume = {9}, year = {2024}, month = {DEC }, pages = {49071-49080}, type = {Article}, abstract = {
Formaldehyde has been used as a solvent and a source of carbon to insert a methylene group for bridging two imidazo[1,5-a]pyridine molecules without using any metal catalysis. This strategy has been extended on other alkyl-, aryl-, and heteroaryl aldehydes as well. This C(sp2)-C(sp3)-H-C(sp2) bond forming reaction proceeds via C(sp2)H functionalization of imidazo[1,5-a]pyridine and was applied on a wide range of substrates offering moderate to good yields of methylene-bridged/inserted bis-imidazo[1,5-a]pyridines. Most importantly, as an application, the bis-heteroarene product has been demonstrated as a ligand. The ligand-like behavior of bis-imidazo[1,5-a]pyridines has been demonstrated as an extension of current methodology. This reaction works well at the gram scale level.
}, issn = {2470-1343}, doi = {10.1021/acsomega.4c03823}, author = {Mahajan, Shivangani and Sawant, Sanghapal D.} } @article {49216, title = {Characterization of the conformational hotspots of the RNA-dependent RNA polymerase complex identifies a unique structural malleability of nsp8}, journal = {Journal of Physical Chemistry B}, volume = {128}, year = {2024}, month = {OCT }, pages = {9959-9975}, type = {Article}, abstract = {
Several antiviral therapeutic approaches have been targeted toward the RNA-dependent RNA polymerase (RdRp) complex that is involved in viral genome replication. In SARS-CoV-2, although the RdRp is a multiprotein complex, the focus has been on the ligand binding catalytic core (nonstructural protein nsp12), and not the multiprotein functional dynamics. In this study, we focus on the conformational ensembles of the RdRp complex and their modulation by the presence of RNA, performing comprehensive microsecond-scale atomistic simulations of the apo- and RNA-bound complex. We delineate the differential impact of RNA on the constituent proteins, such as conformational polymorphisms, dominant segment-specific fluctuations, and the switch in dynamical crosstalk within the complex. We distinguish dynamical signatures of nsp7, nsp8, and nsp12 in the apo-state that are reduced in the presence of the RNA and appear to {\textquoteleft}{\textquoteleft}prime{\textquoteright}{\textquoteright} the complex for activity. Importantly, we identify a unique structural malleability of the nsp8 protein with high conformational heterogeneity in the apo state, especially at three sites (Y71 for nsp8A, and D52 and A66 for nsp8B). Our work highlights the functional implications of the polymorphism of nsp8 structures and reveals possibilities for the development of allosteric inhibitors.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.4c03851}, author = {Gharui, Sowmomita and Sengupta, Durba and Das, Atanu} } @article {49199, title = {Chelation-assisted and steric-controlled selectivity in the Pd-catalyzed C-H/C-H oxidative coupling of indoles}, journal = {Chemical Communications}, volume = {60}, year = {2024}, month = {NOV }, pages = {13028-13031}, type = {Article}, abstract = {
We report the first regioselective C2-C7 oxidative coupling of indoles using a palladium catalyst upon the strategic installation of N-pyridinyl and C3-carbonyl, which delivers 2,7-biindoles with a broad scope (25 examples; up to 93\% yield). Isolation of the catalytic intermediate reveals the initial activation of the C(7)-H bond, followed by the C(2)-H bond in indoles, and the reaction proceeds via a Pd(ii)/Pd(0) pathway. This manuscript describes the first regioselective C2-C7 oxidative coupling of indoles using a palladium catalyst through the strategic installation of N-pyridinyl and C3-carbonyl, which delivers diverse biorelevant 2-7-biindoles.
}, issn = {1359-7345}, doi = {10.1039/d4cc03835e}, author = {Vijaykumar, Muniyappa and Pradhan, Chandini and Gonnade, Rajesh G. and Punji, Benudhar} } @article {48716, title = {Chemodialysis of organic acids using ABPBI-based hollow fiber membranes}, journal = {Journal of Membrane Science}, volume = {689}, year = {2024}, month = {JAN}, pages = {122153}, type = {Article}, abstract = {
Organic acids are a class of essential commodity chemicals used in various industries. Their production methods are shifting from conventional chemicals to fermentation, driven by green process strategies, environmental regulations, cost feasibility, etc. Separating formed acid from the fermentation broth is a primary technological barrier. Conventional methods are complex and impose environmental issues. A promising approach, {\textquoteleft}Chemodialysis,{\textquoteright} capable of transforming the techno-economical feasibility of acid recovery scenario by reducing the number of steps, needs further investigation. This work evaluates scalable hollow fiber membranes based on poly(2,5-benzimidazole) (ABPBI) for chemically assisted dialysis, viz., Chemodialysis. Sorption analyses of commercially significant organic acids (acetic, lactic, and glycolic acid) and nonacidic solutes (NaCl and glucose) were performed using conventional flat sheet samples to assess their role in governing permeation characteristics. The transport properties of acids in the presence of NaCl and glucose as co-solutes were analyzed using hollow fiber membranes. The high selectivity of acid over nonacidic solutes ranges from 400-22,400, coupled with high acid permeability, enhances the applicability of Chemodialysis for the separation of acids using hollow fiber membranes. The fluxes of acids (acetic, glycolic, and lactic) through dense, similar to 100 mu m thick, scalable hollow fiber membranes ranging from 10.9 to 13.12 g/m(2)h are highly appreciable.
}, keywords = {5-benzimidazole), Acid separation, Chemodialysis, Hollow fiber membranes, Organic acids, Poly(2}, issn = {0376-7388}, doi = {10.1016/j.memsci.2023.122153}, author = {Gawas, Saroj and Alladi, Lavanya and Kharul, Ulhas K.} } @article {49190, title = {Chemodivergent dehydrogenative coupling of alcohols by 3d metal catalysts}, journal = {ChemCatChem}, volume = {16}, year = {2024}, month = {JUN }, type = {Article}, abstract = {
Chemodivergent synthesis by transition metal catalysts is a straightforward and sustainable approach to achieving valuable organic compounds. Especially, the chemodivergent dehydrogenative couplings of alcohols with organic motifs to develop various saturated and unsaturated compounds are highly environmentally benign due to the reduced waste generation. In this concept review, we presented the 3d transition metal (Mn, Fe, Co, and Ni)-catalyzed chemodivergent synthesis of imines and amines, saturated and unsaturated carbonyl/alcohol compounds, saturated and unsaturated nitriles, N-heterocycles, and N-/C-alkylated indoles. The discussed reaction commanded two or three different products with high chemoselectivity by changing specific reaction parameters, but keeping the catalyst unchanged. Generally, the acceptorless dehydrogenative coupling (ADC) provides unsaturated moieties, whereas the borrowing-hydrogen (BH) process results in saturated compounds. Text for Table of Contents: An overview of the chemodivergent dehydrogenative coupling of alcohols by the Earth-abundant transition metal catalysts is discussed. image
}, keywords = {3d metals, Alcohols, chemodivergent, dehydrogenative coupling, heterocycles}, issn = {1867-3880}, doi = {10.1002/cctc.202301558}, author = {Bansal, Sadhna and Punji, Benudhar} } @article {49426, title = {Chitosan nanoparticles for single and combinatorial delivery of 5-fluorouracil and ursolic acid for hepatocellular carcinoma}, journal = { Emergent Materials}, year = {2024}, month = {OCT}, type = {Article}, abstract = {
Hepatocellular carcinoma (HCC) remains a significant global health challenge with limited therapeutic options. Chemotherapy has major limitations, leading to a paradigm shift towards nanomedicines. In this study, we aimed to synthesize single and dual drug-loaded chitosan nanoparticles (CSNPs) containing 5-fluorouracil (5-FU) and ursolic acid (UA) for spatial and controlled delivery against HCC. We synthesized CSNPs by a modified bottom-up ionic gelation method and optimized various parameters to formulate particles with smaller sizes, uniform size distribution, and high surface charge for intra-arterial infusion for HCC. The characterization techniques confirmed a monodisperse population of smaller sized particles with average sizes, as determined from transmission electron microscopy (TEM), as 45.25 {\textpm} 11.58, 105.66 {\textpm} 10.96, 176 {\textpm} 16.46, and 220 {\textpm} 21.37\ nm for CSNPs, 5-FU-CSNPs, UA-CSNPs and 5FU + UA-CSNPs respectively. These formulations exhibited excellent encapsulation of the drugs, with an initial pH-dependent rapid release of 5-FU followed by a subsequent slower and sustained release, while showing pH-dependent slow and controlled release of UA. The in vitro cell viability assay established the highest anticancer potential for 5FU + UA-CSNPs, followed by 5-FU-CSNPs and UA-CSNPs, and the lowest for plain drugs in the Hep3B cell line. An increased uptake of both the drugs in CSNPs substantiated the supremacy of these formulations over the plain drugs as drug delivery agents. These findings suggest that 5FU + UA-CSNPs, a novel formulation, works as a potent therapeutic agent against HCC, supporting our hypothesis of co-loading 5-FU and UA in CSNPs can effectively manage HCC, with particle attributes fit for administration via intra-arterial infusion.
}, doi = {https://doi.org/10.1007/s42247-024-00857-0}, author = {Jaiswal, Neha and Pawar, Anil T. and Chaudhari, Bhushan P.} } @article {49215, title = {Circulatory levels of lysophosphatidylcholine species in obese adolescents: Findings from cross-sectional and prospective lipidomics analyses}, journal = {NUTRITION METABOLISM AND CARDIOVASCULAR DISEASES}, volume = {34}, year = {2024}, month = {JUL}, pages = {1807-1816}, type = {Journal Article}, keywords = {Adolescent obesity, Asian Indians, biomarker, Lipidomics, Lysophosphatidyl- choline}, issn = {0939-4753}, doi = {10.1016/j.numecd.2024.02.009}, author = {Sharma, Sapna and Subrahmanyam, Yalamanchili Venkata and Ranjani, Harish and Sidra, Sidra and Parmar, Dharmeshkumar and Vadivel, Sangeetha and Kannan, Shanthini and Grallert, Harald and Usharani, Dandamudi and Anjana, Ranjit Mohan and Balasubramanyam, Muthuswamy and Mohan, Viswanathan and Jerzy, Adamski and Panchagnula, Venkateswarlu and Gokulakrishnan, Kuppan} } @article {49067, title = {Co-incorporated N-doped micro-meso porous carbon as an electrocatalyst for oxygen reduction reaction and Zn-air battery}, journal = {Energy and Fuels}, volume = {38}, year = {2024}, month = {APR }, pages = {7196-7207}, type = {Article}, abstract = {
Metal-organic frameworks are considered ideal precursors for the preparation of transition-metal, heteroatom-doped carbon catalysts that are perceived to be efficient electrocatalysts for energy storage devices. Herein, we demonstrate the synthesis of ZIF-67-derived Co-incorporated N-doped porous carbon catalysts supported on high surface area microporous carbon prepared from a lotus seed shell. The combination of the two carbon catalysts in different weight ratios resulted in Co-incorporated N-doped carbon sheets with tuned surface area and porosity, enabling enhanced oxygen reduction reaction (ORR) activity in an alkaline medium. The optimized carbon catalyst ZL 600 (3:1) exhibited a half-wave potential of 0.79 V vs RHE and a limiting current density of -4.38 mA cm(-2) in 0.1 M KOH solution with higher stability and methanol tolerance. The optimized sample ZL 600 (3:1) demonstrated as a cathode in a zinc-air battery exhibited an open circuit voltage of 1.29 V with a flat discharge profile at a current rate of 10 mA cm(-2). The homemade system produced a specific capacity of 610 mAh g(-1) and a peak power density of 111 mW cm(-2), comparable to the cathode made with Pt/C. The high micro-mesoporosity, pyridinic and pyrrolic nitrogen contents, as well as enriched Co-active centers protected by carbon sheets favorably contributed to the efficient ORR mechanism.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.4c00059}, author = {Priya, Vaishna K. and Kharabe, Geeta Pandurang and Barik, Sidharth and Mohamed, A. Peer and Kurungot, Sreekumar and Hareesh, Unnikrishnan Nair Saraswathy} } @article {49633, title = {Colocasia esculenta stems for the isolation of cellulose nanofibers: a chlorine-free method for the biomass conversion}, journal = {Biomass Conversion and Biorefinery}, volume = {14}, year = {2024}, month = {MAY}, pages = {10305-10318}, type = {Article}, abstract = {
The reuse of waste products is the green key to sustainability. The extraction of cellulose nanofibers from Colocasia esculenta stems is presented in the paper. The study proved that the waste biomass could be effectively re-engineered into highly valued cellulose nanofibers (CNFs). Cellulose nanofibers were extracted via a chemo-mechanical route. The pre-treatments included mild alkali hydrolysis (2\% NaOH) and chlorine-free bleaching (peroxide bleaching in an alkaline medium). Cellulose I-beta structure was confirmed using C-13 solid-state nuclear magnetic resonance spectroscopy and X-ray diffraction analysis. The elemental analysis of CNFs detected the elements, carbon and oxygen. The CNFs had a crystallinity and transmittance of 71.72\% and 60\%, respectively. Microscopic studies verified the elimination of non-cellulosic components and the fibrous nature of CNFs. Moreover, the fiber diameter of CNFs was 20-40 nm. Thermal analysis revealed good thermal stability of 335.8 degrees C (T-50) for nanofibers. Long-term aids are numerous in eco-friendly technology. Developing an eco-design will support zero waste ideals, lowers carbon dioxide emissions, and encourages a circular economy. Owing to the merits of natural fibers, they can be adopted in various sectors including packaging, automobile, aerospace, electronics, biomedical, construction, and furniture.
}, keywords = {acid hydrolysis, cellulose nanofibers, Colocasia esculenta stems, High crystallinity}, issn = {2190-6815}, doi = {10.1007/s13399-022-03171-z}, author = {Dominic, C. D. Midhun and Maheswary, S. and Neenu, V. K. and Sajadi, S. Mohammad and Rosa, Derval dos Santos and Begum, P. M. Sabura and Mathew, Mariya and Ajithkumar, T. G. and Parameswaranpillai, Jyotishkumar and George, Tresa Sunitha and Resmi, V. C. and Ilyas, R. A. and Badawi, Michael} } @article {49634, title = {Comparative proteomics of sugarcane smut fungus- Sporisorium scitamineum unravels dynamic proteomic alterations during the dimorphic transition}, journal = {Journal of Proteomics}, volume = {304}, year = {2024}, month = {JUL }, pages = {105230}, type = {Article}, abstract = {
Life cycle of the dimorphic sugarcane smut fungi, Sporisorium scitamineum , involves recognition and mating of compatible saprophytic yeast -like haploid sporidia (MAT -1 and MAT -2) that upon fusion, develop into infective dikaryotic mycelia. Although the dimorphic transition is intrinsically linked with the pathogenicity and virulence of S. scitamineum , it has never been studied using a proteomic approach. In the present study, an iTRAQ-based comparative proteomic analysis of three distinct stages was carried out. The stages were: the dimorphic transition period - haploid sporidial stage (MAT -1 and MAT -2); the transition phase (24 h post co -culturing (hpc)) and the dikaryotic mycelial stage (48 hpc). Functional categorization of differentially abundant proteins showed that the most altered biological processes were energy production, primary metabolism, especially, carbohydrate, amino acid, fatty acid, followed by translation, post -translation and protein turnover. Several differentially abundant proteins (DAPs), especially in the dikaryotic mycelial stage were predicted as effectors. Taken together, key molecular mechanisms underpinning the dimorphic transition in S. scitamineum at the proteome level were highlighted. The catalogue of stage -specific and dimorphic transition -associated -proteins and potential effectors identified herein represents a list of potential candidates for defective mutant screening to elucidate their functional role in the dimorphic transition and pathogenicity in S. scitamineum . Biological significance: Being the first comparative proteomics analysis of S. scitamineum , this study comprehensively examined three pivotal life cycle stages of the pathogen: the non-pathogenic haploid phase, the transition phase, and the pathogenic dikaryotic mycelial stage. While previous studies have reported the sugarcane and S. scitamineum interactions, this study endeavored to specifically identify the proteins responsible for pathogenicity. By analyzing the proteomic alterations between the haploid and dikaryotic mycelial phases, the study revealed significant changes in metabolic pathway -associated proteins linked to energy production, notably oxidative phosphorylation, and the citrate cycle. Furthermore, this study successfully identified key metabolic pathways that undergo reprogramming during the transition from the non-pathogenic to the pathogenic stage. The study also deciphered the underlying mechanisms driving the morphological and physiological alterations crucial for the S. scitamineum virulence. By studying its life cycle stages, identifying the key metabolic pathways and stage -specific proteins, it provides unprecedented insights into the pathogenicity and potential avenues for intervention. As proteomics continues to advance, such studies pave the way for a deeper understanding of plantpathogen interactions and the development of innovative strategies to mitigate the impact of devastating pathogens like S. scitamineum.
}, keywords = {dimorphism, fungi, iTRAQ, Smut, Sugarcane, Virulence}, issn = {1874-3919}, doi = {10.1016/j.jprot.2024.105230}, author = {Kumaravel, Nalayeni and Ebinezer, Leonard Barnabas and Ashwin, N. M. R. and Franchin, Cinzia and Battisti, Ilaria and Carletti, Paolo and Sundar, Amalraj Ramesh and Masi, Antonio and Malathi, Palaniyandi and Viswanathan, Rasappa and Arrigoni, Giorgio} } @article {49055, title = {Computational identification of most potent atom pair catalysts for electrocatalytic nitrogen reduction reaction over hydrogen evolution reaction}, journal = {Inter.}, volume = {58}, year = {2024}, month = {MAR }, pages = {1345-1358}, type = {Article}, abstract = {
Robust electrocatalytic atom pair compositions (APCs) where Nitrogen Reduction Reaction (NRR) is more enhanced over competing Hydrogen Evolution Reaction (HER) is searched for using computational studies based on Density Functional Theory based methods. Atomic pairs are anchored on mechanically and thermally stable graphene surfaces. A wide range of transition metal based atom pair compositions from 3d, 4d, and 5d groups are systematically investigated for reduction of dinitrogen molecule with lower reduction barrier as compared to HER. APR compositions of Ni-Rh with an overall limiting potential of -0.22 V, Fe-W with an overall limiting potential of -0.26 V and Co-Pt with an overall limiting potential of -0.28 V are identified as the most potent atomic pairs for enhanced nitrogen reduction reaction over the HER. Finally, the performance of most potent composition, viz., Ni-Rh is validated to be consistent with respect to their thermodynamic stability and performance within the solvent effects.
}, keywords = {Atom pair catalysts, Density Functional Theory (DFT), Electrochemical nitrogen reduction reaction (eNRR), hydrogen evolution reaction (HER), IR stretching frequencies, N-N bond length}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2024.01.203}, author = {Verma, Tushar Singh and Dar, Afshana Hassan and Dar, Manzoor Ahmad and Selvaraj, Kaliaperumal and Krishnamurty, Sailaja} } @article {49453, title = {Computational modeling of sodium-ion-channel-based glucose sensing biophysics to study cardiac pacemaker action potential}, journal = {Mathematical and Computational Applications}, volume = {29}, year = {2024}, month = {SEP}, type = {Article}, abstract = {
Elevated blood glucose levels, known as hyperglycemia, play a significant role in sudden cardiac arrest, often resulting in sudden cardiac death, particularly among those with diabetes. Understanding the internal mechanisms has been a challenge for healthcare professionals, leading many research groups to investigate the relationship between blood glucose levels and cardiac electrical activity. Our hypothesis suggests that glucose-sensing biophysics mechanisms in cardiac tissue could clarify this connection. To explore this, we adapted a single-compartment computational model of the human pacemaker action potential. We incorporated glucose-sensing mechanisms with voltage-gated sodium ion channels using ordinary differential equations. Parameters for the model were based on existing experimental studies to mimic the impact of glucose levels on pacemaker action potential firing. Simulations using voltage clamp and current clamp techniques showed that elevated glucose levels decreased sodium ion channel currents, leading to a reduction in the pacemaker action potential frequency. In summary, our mathematical model provides a cellular-level understanding of how high glucose levels can lead to bradycardia and sudden cardiac death.
}, doi = {https://doi.org/10.3390/mca29050084}, author = {Mahapatra, Chitaranjan and Shanmugam, Kirubanandan and Rusho, Maher Ali} } @article {49110, title = {Concentration-dependent SILAR synthesized Di-bismuth copper oxide nano-materials electrode in asymmetric supercapacitor}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {35}, year = {2024}, month = {JAN}, pages = {129}, type = {Article}, abstract = {
In this study, we present a novel approach to prepare bismuth oxide deposited on copper substrate (Bi2CuO4) electrodes using a binder-free successive ionic layer adsorption and reaction (SILAR) technique, demonstrating their potential for energy storage applications. The resulting Bi2CuO4 electrode exhibits a tetragonal crystal structure with a polycrystalline nature, as confirmed by X-ray diffraction (XRD). Field emission scanning electron microscopy (FE-SEM) reveals a distinctive sphere-like structure with hydrophilic characteristics, as determined from contact angle measurements. X-ray photoelectron spectroscopy (XPS) further validates the composition of the sample. The electrochemical performance of Bi2CuO4 is remarkable, with a specific capacitance (SC) of 1795.9 F/g at 16 mA/cm(2). When used as an anode in an asymmetric solid-state device (ASSD) alongside activated carbon (AC) as the cathode, the Bi2CuO4 electrode attains a maximum energy density (SE) of 169.5 Wh/kg at 16 mA/cm(2) and a peak power density (SP) of 15.9 kW/kg at 24 mA/cm(2). In a 1 M KOH-polyvinyl alcohol (PVA) polymer solution, the Bi2CuO4//AC pencil-type cell achieves a superior SC of 94.5 F/g at 5 mV/s, retaining approximately 92\% of its initial performance even after 5000 charge-discharge cycles. The resulting SE and SP are 43.1 Wh/kg and 5.2 kW/kg at 10 mA/cm(2), respectively. This research presents an efficient and straightforward synthesis method for producing high-performance pencil-type supercapacitors at a laboratory scale. Furthermore, we demonstrate the potential of a homemade pencil-type supercapacitor device (Bi2CuO4//AC) to power a light-emitting diode (LED), highlighting its practical utility in various energy storage applications.
}, issn = {0957-4522}, doi = {10.1007/s10854-023-11818-4}, author = {Bobade, R. G. and Dabke, N. B. and Shaikh, Shoyebmohamad F. and Al-Enizi, Abdullah M. and Pandit, Bidhan and Lokhande, B. J. and Ambare, R. C.} } @article {49036, title = {Concise and collective total syntheses of 2,4-disubstituted furan-derived natural products from hydroxyoxetanyl ketones}, journal = {Organic and biomolecular chemistry}, volume = {22}, year = {2024}, month = {FEB }, pages = {1475-1483}, type = {Article}, abstract = {
The furan moiety, prevalent in bioactive natural products and essential drugs, presents intriguing structural features that have spurred our exploration into streamlined chemical synthesis routes for related natural products. In this study, we demonstrate the concise total synthesis of eight 2,4-disubstituted furan-derived natural products (including methylfuroic acid, rabdoketones A and B, paleofurans A and B, tournefolin C, and shikonofurans A and B). Our methodology revolves around the utilization of hydroxyoxetanyl ketones as pivotal intermediates. The approach encompasses transformations such as selective organo-catalyzed cross-ketol addition, synthesis of hydroxymethyl-tethered furans through Bi(OTf)3 catalyzed dehydrative cycloisomerization of alpha-hydroxyoxetanyl ketones, and a hydrogen atom transfer (HAT)-mediated oxidation of primary alcohols into the corresponding acids. This comprehensive synthetic strategy highlights the versatility of hydroxyoxetanyl ketones as invaluable building blocks in the synthesis of furan-containing natural products. A unified total synthesis of eight 2,4-disubstituted furan-derived natural products has been achieved through Bi(iii)-catalyzed cascade cycloisomerization of alpha-hydroxyoxetanyl ketones and hydrogen atom transfer-mediated oxidation of primary alcohols as pivotal transformations.
}, issn = {1477-0520}, doi = {10.1039/d3ob01924a}, author = {Sahoo, Shubhranshu Shekhar and Kataria, Priyanka and Kontham, Ravindar} } @article {48907, title = {Conductive metal-organic frameworks for zinc-air battery application: design principles, recent trends and prospects}, journal = {Journal of Materials Chemistry A}, volume = {12}, year = {2024}, month = {JAN }, pages = {2605-2619}, type = {Journal Article }, abstract = {
Electrochemical energy conversion and storage systems have an indispensable place in the modern world to fulfill the increasing energy demands. Among the different storage devices, rechargeable zinc-air batteries (ZABs) have become one of the most promising energy technologies owing to the abundance and inexpensiveness of Zn, simple operation, environmental friendliness, and reasonable energy density. However, the sluggishness of the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) occurring in ZABs is a serious obstacle in their progress and commercialization. This creates a need for the development of efficient bifunctional electrocatalysts for ORR and OER. Conductive metal-organic frameworks (cMOFs) imbibing the general properties of MOFs, like high surface area, tunable porosity, redox-active centers, and additional intrinsic conductivity, can be a very lucrative option for developing bifunctional ORR and OER electrocatalysts for ZAB applications. In this review, we discuss the conductivity and design strategies of conductive MOFs, the basic configuration of ZABs, and the use of cMOFs for ZAB applications. The future directions for the improvement of cMOFs for ZABs have been provided, which hopefully will incite interest among researchers for further exploring cMOFs for ZABs. Electrochemical energy conversion and storage systems have an indispensable place in the modern world to fulfill the increasing energy demands.
}, keywords = {Biofunctional Oxygen Electrocatalyst, Electrical conductivity, Energy storage, Fuel-Cells, li-ion batteries}, issn = {2050-7488}, doi = {10.1039/d3ta03753c}, author = {Devi, Bandhana and Kurungot, Sreekumar} } @article {49373, title = {Conformational enigma of TDP-43 misfolding in neurodegenerative disorders}, journal = {ACS OMEGA}, volume = {9}, year = {2024}, month = {SEP}, pages = {40286-40297}, type = {Review}, keywords = {DNA-BINDING PROTEIN, FRONTOTEMPORAL LOBAR DEGENERATION}, issn = {2470-1343}, doi = {10.1021/acsomega.4c04119}, author = {Pillai, Meenakshi and Jha, Santosh Kumar} } @article {49187, title = {Continuous flow ozonolysis of cardanol for greener synthesis of bio-based monomers}, journal = {Journal of Flow Chemistry}, volume = {14}, year = {2024}, month = {JUN}, pages = {417-426}, type = {Article}, abstract = {
Synthesis of bio-based monomers via continuous flow ozonolysis of cardanol using a simple tubular reactor is demonstrated. The direct ozonolysis of cardanol produces unique monomer 8-(3-hydroxyphenyl) octanal (HPOA) and heptanal along with several other oxidation products. Maximum 47\% yield of HPOA with 54.3\% conversion of cardanol was obtained at 0 degrees C in 9 s. The complete conversion of cardanol was obtained at the ozone to cardanol molar flow ratios greater than 2 at all temperatures varied in the range of -10 degrees C to 20 degrees C. Owing to large gas-liquid ratios, the mass transfer limitation for transfer of ozone from gas to liquid was negligible; however, the extent of axial dispersion in the liquid phase was significant at lower liquid flow rates. The non-ideal behavior was incorporated in the axial dispersion model to predict the conversion of cardanol. Examination of kinetic rates by both ideal plug-flow model and plug-flow with axial dispersion model revealed that the reaction is fast and is least influenced by the axial-dispersion in the reactor at prevailing operating conditions. The findings of the current study show that continuous flow technique enables a simple and safer synthesis of high-value bio-based monomers via ozonolysis of cardanol compared to traditional batch methods.
}, keywords = {Axial-dispersion model, Cardanol, continuous flow, Helical coil, Ozonolysis}, issn = {2062-249X}, doi = {10.1007/s41981-024-00308-1}, author = {Kulkarni, Sphurti P. and Kulkarni, Amol A.} } @article {49295, title = {Continuous flow synthesis of hierarchical low silica X zeolite}, journal = {Materials Today Communications}, volume = {39}, year = {2024}, month = {JUN}, pages = {109047}, type = {Article}, abstract = {
Zeolites, renowned for their versatile applications in catalysis, adsorption, and ion exchange, have long been synthesized using conventional batch processes. However, the inherent limitations of these methods, such as resource-intensive conditions and inconsistent product quality, underscore the need for a sustainable and efficient approach. In this study, a continuous flow synthesis process was established for the synthesis of industrially important low silica X (LSX) zeolite using a tubular reactor. The synthesis gel was subjected to aging for 5 days at room temperature to facilitate nucleation and crystal growth combined with the fast-heating rate in a tubular reactor at 363 K \& 1.1 atm., which in turn produces LSX after 40 min. The synthesized product was confirmed by the XRD, FE-SEM, EDS, XRF, TEM, and N2 adsorption-desorption; the data was compared with the LSX sample synthesized by batch process. The result implies that LSX prepared by continuous flow has a pure phase of LSX with the hierarchical structure, which provides better adsorption capacity of CO2 at 298 K up to 20 bar. Due to continuous flow synthesis, the crystallization time was reduced and faster kinetics which may be helpful for scale-up the process for LSX synthesis.
}, keywords = {Adsorption, Carbon dioxide, continuous flow, Low silica X, Tubular reactor, zeolites}, doi = {10.1016/j.mtcomm.2024.109047}, author = {Adarsh, V. K. and Shrotri, Aadesh R. and Birje, Amit R. and Nandanwar, Sachin U.} } @article {49061, title = {Continuous flow synthesis of mesoporous silica particles with tunable size and structure}, journal = {Industrial and Engineering Chemistry Research}, volume = {63}, year = {2024}, month = {JAN}, pages = {1843-1852}, type = {Article}, abstract = {
We have developed a continuous process to prepare mesoporous silica particles of different sizes and narrow size distribution in a tubular reactor. The method is based on the use of well-known Stober synthesis in the presence of cationic surfactant in methanol-water solvent system and trimethylbenzene as pore swelling agent to form porous silica particles. We observed that reaction parameters had enormous effects on particle size, distribution, and numerous morphological aspects. We demonstrated that these properties may be modified by adjusting the reaction temperature, base concentration, and surfactant concentration. MSPs of spherical morphology with variable size from 400 to 1000 nm produced with the surface area \>600 m(2)/g and pore diameter of 2-4 nm. Large scale production is demonstrated by increasing reactor volume using 1/4 in. PTFE tubing from 20 to 163 mL, with this production of MSPs increased from 0.35 to 3 g/h. The method has been extended for high yield production at the kilogram scale using this approach, which will pave the way toward the industrialization of mesoporous silica based materials.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c03304}, author = {Jundale, Rajashri B. and Prasad, Bhagavatula L. V. and Devi, R. Nandini and Kulkarni, Amol A.} } @article {49032, title = {Copper-catalyzed regioselective C-H alkylation of phenol derivatives with unactivated alkyl chlorides: manifesting a Cu(I)/Cu(III) pathway}, journal = {Journal of Catalysis }, volume = {430}, year = {2024}, month = {FEB}, type = {Article}, abstract = {
The use of unactivated alkyl chlorides in regioselective C -H alkylation is a highly challenging process with diverse applications of alkylation strategy in drug discovery and agrochemistry. In this work, we report an efficient and cost-effective copper -catalyzed protocol for the coupling of unactivated alkyl chlorides with the C -H bond of phenol derivatives via 2-pyridinyl chelation assistance. The reaction shows a high level of regioselectivity, leading to an exclusive ortho alkylation and providing a broad scope with the endurance of numerous functionalities such as silyl, ether, thioether, pyrrolyl, indolyl, carbazolyl groups, including alkyl bearing fatty alcohol, nonylphenol, and vitamin E. Detailed mechanistic investigations suggest that the alkylation occurs through a two -electron oxidative addition of alkyl chloride to an active Cu(I) species. Deuterium labeling and kinetics experiments indicate a facile and reversible C -H bond activation process. Overall, the alkylation follows a Cu(I)/Cu(III) pathway involving chelation-assisted smooth C -H metalation and rate -limiting C-Cl oxidative addition of alkyl chloride.
}, issn = {0021-9517}, doi = {10.1016/j.jcat.2024.115351}, author = {Verma, Suryadev K. and Punji, Benudhar} } @article {49292, title = {Copper/Iron cocatalyzed depolymerization of postconsumer polycarbonate: a one-pot strategy to synthesize aryl ethers}, journal = {ACS SUSTAINABLE CHEMISTRY \& ENGINEERING}, volume = {12}, year = {2024}, month = {DEC 7}, pages = {18362-18372}, type = {Journal Article}, keywords = {aryl ethers, copper/iron cocatalysis, depolymerization, polycarbonates, Value-added products}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c06990}, author = {Moyilla, Nageswararao and Padhi, Ganeshdev and Kalsi, Deepti and Barsu, Nagaraju} } @article {48948, title = {Copper-mediated [3+2] oxidative cyclization of oxime acetate and its utility in the formal synthesis of fentiazac}, journal = {Organic and biomolecular chemistry}, volume = {22}, year = {2024}, month = {JAN }, pages = {521-528}, type = {Article}, abstract = {
A new protocol for the direct synthesis of 2-aminothiazole has been developed from oxime acetate and readily available sodium thiocyanate using a copper catalyst. The present transformation has good functional group tolerance. Various thiazoles were smoothly synthesized in good to excellent yields. The applicability of the present method has been extended to the formal synthesis of the non-steroidal and anti-inflammatory drug, fentiazac via the Sandmeyer reaction and Suzuki coupling. The direct synthesis of 2-aminothiazole has been developed from oxime acetate using a copper catalyst. The applicability of the present method is used in the formal synthesis of fentiazac.
}, keywords = {Biological evaluation, C-H functionalization, Vinylazides}, issn = {1477-0520}, doi = {10.1039/d3ob01882b}, author = {Jadhao, Nitin L. and Musale, Harish B. and Gajbhiye, Jayant M. and Humne, Vivek T.} } @article {49635, title = {Creep resistance in doubly crosslinked dynamic covalent networks}, journal = {POLYMER CHEMISTRY}, volume = {15}, year = {2024}, month = {MAY}, pages = {1826-1832}, type = {Article}, abstract = {
Vitrimers are a unique class of thermosets that demonstrate reprocessability and recyclability due to dynamic bond exchange at crosslinking sites. However, the same dynamic bond exchange predisposes vitrimers to macroscopic deformation and creep under constant stress, which limits many practical applications. Herein, we demonstrated that the incorporation of Janus-faced guanine-cytosine diamine (GCBDam) functionality within vinylogous urethane vitrimers leads to significant creep resistance due to network reinforcement via hydrogen bonding. The supramolecular associations of the GCBDam groups retarded stress relaxation at temperatures as high as 160 degrees C. Further, rheological data suggested that the cooperative nature of the bifunctional Janus-faced hydrogen bonding moieties allowed the GCBDam to act as {\textquoteleft}{\textquoteleft}stickers{\textquoteright}{\textquoteright} within the dynamic covalent networks. These results indicate that incorporating the bifunctional supramolecular moiety improved dimensional stability while conserving the hallmark vitrimer property of reprocessability. This work demonstrates that incorporating Janus-faced supramolecular moieties in vinylogous urethane vitrimers improved dimensional stability while conserving the hallmark vitrimer property of reprocessability.
}, issn = {1759-9954}, doi = {10.1039/d4py00276h}, author = {Mondal, Swagata and Wong, Alexander J. and Wagh, Mahendra A. and Alperstein, Lily and Sanjayan, Gangadhar J. and Sumerlin, Brent S.} } @article {49258, title = {Crystal engineering for intramolecular π-π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides}, journal = {CrystEngComm}, volume = {26}, year = {2024}, month = {JUL}, pages = {3557-3573}, type = {Article}, abstract = {
A series of 21 sulfoester and sulfonamide derivatives comprising two aromatic rings was synthesized to investigate the effect of the presence of either electron-donating (ED) or electron-withdrawing (EW) groups on the intramolecular pi-stacking assembly. The positioning of ED or EW moieties was carried out directly on one of the aromatic rings linked to the sulfonyl or sulfonamide moieties. In contrast, the other aromatic ring (phenyl or pyridine) was connected by a -CH2-CH2- spacer with the sulfonyl or sulfonamide moiety. The purpose of having an ethyl spacer between the two aromatic rings was to achieve conformational flexibility, facilitating the intramolecular pi-stacking assembly between the two aromatic rings. The use of sulfoester/sulfonamide groups allowed more conformational flexibility to attain desired orientations in solids with the interplay of the hydrogen-bonding interactions. Between the two functional groups, sulfonamides offered a more hydrogen-rich environment due to the amine moiety and may exhibit higher H-bonding propensity than the sulfoester moiety. The central idea here was to study the interplay between the hydrogen-bonding and pi \& ctdot;pi interactions. The substituent groups chosen were categorized as strong electron-withdrawing (-CF3 and -CN), weak electron-withdrawing (-Cl and -Br), neutral (-H), and good electron-donating (-CH3 and -OCH3) groups. Crystal structure analysis revealed the syn conformation for all the derivatives, enabling intramolecular pi \& ctdot;pi interactions between the two aromatic rings, whereas in the sulfonamide derivatives, the molecule takes either midway or anti conformations, except for one pyridine sulfonamide derivative, which showed the syn orientation but lacked intramolecular pi-stacking interactions. The absence of any conventional H-bond forming functional groups in the sulfoester derivatives may have resulted in the syn geometry facilitated by intramolecular pi-stacking interactions. Conversely, H-bond-forming functional groups in the sulfonamide derivatives could have prevented the syn conformation. The conformational analysis carried out employing density functional theory (DFT) calculations confirmed the higher stability of the syn conformation over the midway and anti orientations. The placing of electron-withdrawing and electron-donating groups at the para position of the benzene revealed sulfoesters preferably adopts a syn geometry facilitating the intramolecular pi-stacking, but sulphonamides takes midway or anti-geometry.
}, doi = {10.1039/d4ce00309h}, author = {Shaikh, Samir R. and Gawade, Rupesh L. and Dabke, Niteen B. and Dash, Soumya R. and Vanka, Kumar and Gonnade, Rajesh G.} } @article {49341, title = {Cu-catalyzed multicomponent reaction of arylhydrazines with β-ketoesters and TBN: one-pot access to N 2-aryl 1,2,3-triazole-1-oxides}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {NOV }, pages = {16990-16998}, type = {Article}, abstract = {
We report a copper-catalyzed one-pot, multicomponent strategy for the convenient synthesis of N 2-aryl 1,2,3-triazole-1-oxides using arylhydrazines, beta-ketoesters, and tert-butyl nitrite. This mild and simple reaction proceeds in an atom-economic manner with broad substrate scope, affording a variety of N 2-aryl 1,2,3-triazole-1-oxide derivatives. Other salient features of the reaction are good functional group tolerance, scalability, and product diversification.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c00298}, author = {Mujahid, Mohammad and Vara, Vijay and Arshad, Usman and Gamidi, Rama Krishna and Muthukrishnan, M.} } @article {48908, title = {CuNPs@Al2O3-cellulose composite for the ligand-free Suzuki cross-coupling reactions in batch and continuous flow process}, journal = {Journal of Organometallic Chemistry }, volume = {1004}, year = {2024}, month = {JAN}, type = {Article}, abstract = {
In the present work, we synthesized recyclable CuNPs@Al2O3-CELL composite from an inexpensive and commercially available synthetic reagent by a simple method. The catalyst was characterized by various techniques such as TGA (Thermogravimetric analysis), SEM (Scanning electron microscope), TEM (Transmission electron microscopy), XPS (X-ray photoelectron spectroscopy), EDS (Energy dispersive spectroscopy), and AAS (Atomic Absorption Spectroscopy). The composite was applied for the Suzuki coupling reactions in the batch and flow process. The aryl halides were easily coupled with arylboronic acids in 95 \% ethanol at 78 C. We systematically investigated the role of reaction temperature, solvent, and catalyst loading, on the transient and steady-state behavior of the flow reactor through an automated flow chemistry platform. The CuNPs@Al2O3CELL catalytic particles demonstrate minimal deactivation and leaching over a continuous Suzuki coupling reaction at a 20 min nominal residence time at 100 C. Moreover, the catalyst can be recovered by simple filtration and reused at least five times with a moderate decrease in product yield. The excellent activity and stability of the catalyst have been attributed to the strong chelation of the Cu species with hydroxyl functional groups of the Al2O3-CELL composite. The catalytic system was highly efficient in Suzuki coupling of various aryl bromides with different aryl boronic acids, yielding good to excellent product yields (80-96 \%) with a TON of 15.914-19.066 and TOF of 2.649-9.533 h(-1).
}, keywords = {Continuous flow process, CuNPs@Al2O3-CELL, ligand-free, recyclable, Suzuki coupling}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2023.122954}, author = {Patil, Seema and Rajmane, Archana and Jadhav, Sanjay and Rode, Chandrashekhar and Kumbhar, Arjun} } @article {49610, title = {De novo structure prediction of meteorin and meteorin-like protein for identification of domains, functional receptor binding regions, and their high-risk missense variants}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {42}, year = {2024}, month = {JUN }, pages = {4522-4536}, type = {Article}, abstract = {
Meteorin (Metrn) and Meteorin-like (Metrnl) are homologous secreted proteins involved in neural development and metabolic regulation. In this study, we have performed de novo structure prediction and analysis of both Metrn and Metrnl using Alphafold2 (AF2) and RoseTTAfold (RF). Based on the domain and structural homology analysis of the predicted structures, we have identified that these proteins are composed of two functional domains, a CUB domain and an NTR domain, connected by a hinge/loop region. We have identified the receptor binding regions of Metrn and Metrnl using the machine-learning tools ScanNet and Masif. These were further validated by docking Metrnl with its reported KIT receptor, thus establishing the role of each domain in the receptor interaction. Also, we have studied the effect of non-synonymous SNPs on the structure and function of these proteins using an array of bioinformatics tools and selected 16 missense variants in Metrn and 10 in Metrnl that can affect the protein stability. This is the first study to comprehensively characterize the functional domains of Metrn and Metrnl at their structural level and identify the functional domains, and protein binding regions. This study also highlights the interaction mechanism of the KIT receptor and Metrnl. The predicted deleterious SNPs will allow further understanding of the role of these variants in modulating the plasma levels of these proteins in disease conditions such as diabetes.
}, keywords = {domains, Meteorin, meteorin-like, missense variants, protein-protein interactions, structure prediction}, issn = {0739-1102}, doi = {10.1080/07391102.2023.2220804}, author = {Shankar, S. Shiva and Banarjee, Reema and Jathar, Swaraj M. and Rajesh, S. and Ramasamy, Sureshkumar and Kulkarni, Mahesh J.} } @article {49250, title = {Deciphering the monomeric and dimeric conformational landscapes of the full-length TDP-43 and the impact of the C-terminal domain}, journal = {ACS Chemical Neuroscience}, volume = {15}, year = {2024}, month = {NOV}, pages = {4305-4321}, type = {Article}, abstract = {
The aberrant aggregation of TAR DNA-binding protein 43 kDa (TDP-43) in cells leads to the pathogenesis of multiple fatal neurodegenerative diseases. Decoding the proposed initial transition between its functional dimeric and aggregation-prone monomeric states can potentially design a viable therapeutic strategy, which is presently limited by the lack of structural detail of the full-length TDP-43. To achieve a complete understanding of such a delicate phase space, we employed a multiscale simulation approach that unearths numerous crucial features, broadly summarized in two categories: (1) state-independent features that involve inherent chain collapsibility, rugged polymorphic landscape dictated by the terminal domains, high beta-sheet propensity, structural integrity preserved by backbone-based intrachain hydrogen bonds and electrostatic forces, the prominence of the C-terminal domain in the intrachain cross-domain interfaces, and equal participation of hydrophobic and hydrophilic (charged and polar) residues in cross-domain interfaces; and (2) dimerization-modulated characteristics that encompass slower collapsing dynamics, restricted polymorphic landscape, the dominance of side chains in interchain hydrogen bonds, the appearance of the N-terminal domain in the dimer interface, and the prominence of hydrophilic (specifically polar) residues in interchain homo- and cross-domain interfaces. In our work, the ill-known C-terminal domain appears as the most crucial structure-dictating domain, which preferably populates a compact conformation with a high beta-sheet propensity in its isolated state stabilized by intrabackbone hydrogen bonds, and these signatures are comparatively faded in its integrated form. Validation of our simulated observables by a complementary spectroscopic approach on multiple counts ensures the robustness of the computationally predicted features of the TDP-43 aggregation landscape.
}, keywords = {chain collapsibility, domain-wisefluctuation, electrostatic dominance, hydrogen bond switchability, long-range crosstalk, persistent beta-character, protagonistic C-terminal domain, rugged phase space}, issn = {1948-7193}, doi = {10.1021/acschemneuro.4c00557}, author = {Tammara, Vaishnavi and Doke, Abhilasha A. and Jha, Santosh Kumar and Das, Atanu} } @article {49180, title = {Deciphering the role of chemisorbed CO in CO2 methanation: kinetic and mechanistic investigation over monometallic (Ru) and bimetallic (Ru-Ni) catalysts}, journal = {Catalysis Science \& Technology}, volume = {14}, year = {2024}, month = {DEC }, pages = {7124-7133}, type = {Article}, abstract = {
Supported metal catalysts have made prominent contributions to CO2 mitigation through conversion into useful chemicals. However, intermediates and mechanisms involved in this process remain ambiguous. Herein, we present the kinetics, mechanistic route and impact of chemisorbed CO in CO2 methanation on Ru/gamma-Al2O3 and Ru-Ni/gamma-Al2O3 catalysts. Both the catalysts show minimal variation in adsorbed species on changing the duration of reduction, as confirmed through in situ IR spectroscopy. A notable observation is that the adsorbed CO exhibits a red shift at a longer reduction time and a more reactive nature on the Ru/gamma-Al2O3 surface. Conversely, stable bridged CO mode is detected on Ru-Ni/gamma-Al2O3 under similar conditions, leading to catalyst poisoning in all instances. This indicates that pre-reduction duration does not have much effect on the surface but interference of CO has more effect at lower concentrations of reactant gases. In situ XRD analysis reveals limited changes in the metallic or mixed oxide species during these conditions. Reaction kinetic analysis showed that Ru-Ni/gamma-Al2O3 has better rate performance at higher concentrations of CO2, whereas Ru/gamma-Al2O3 exhibits better rate performance at lower concentrations. The activation energy was found to be 74.07 kJ per mole for Ru/gamma-Al2O3 and 89.38 kJ per mole for Ru-Ni/gamma-Al2O3. The turnover frequency (TOF) is directly proportional to the rate of formation of methane.
}, issn = {2044-4753}, doi = {10.1039/d4cy01004c}, author = {Dongapure, Pavan and Tekawadia, Jyoti and Naidu, V. Satyam and Devi, R. Nandini} } @article {48952, title = {Dehydration of lactate to acrylate using alkaline earth metal modified hydroxyapetite}, journal = {Catalysis Letters}, volume = {154}, year = {2024}, month = {FEB}, pages = {569-581}, type = {Journal Article}, abstract = {
Acrylates/acrylic acid are important for polymer industry due to its very high volume applications in different sectors. Activity of Ba/Mg modified hydroxyapatite for vapour-phase dehydration of ammonium lactate with 100\% conversion and 60\% acrylate selectivity was attributed to fine tuning of acid/base properties and formation of surface Ba/Ca lactate species.
}, keywords = {acrylate, Alkaline earth metal, dehydration, Lactate, Modified hydroxyapetite}, issn = {1011-372X}, doi = {10.1007/s10562-023-04329-8}, author = {Doke, Dhananjay S. S. and Dongre, Mohan K. K. and Umbarkar, Shubhangi B. B.} } @article {49194, title = {Dehydrogenative coupling of alcohols with internal alkynes under nickel catalysis: an access to β-deuterated branched ketones}, journal = {ACS Catalysis}, volume = {14}, year = {2024}, month = {MAY}, pages = {8294-8309}, type = {Article}, abstract = {
In synthetic organic chemistry, unconventional strategies for advanced chemical synthesis pose interesting and challenging problems. Alcohols act as alkylating agents in the C-C and C-N bond-forming reactions via the dehydrogenative borrowing hydrogen strategy in traditional transition metal catalysis; however, as an acylating agent in the C-C bond-forming reactions is challenging and rarely reported. Here, we report the dehydrogenative coupling of benzylic alcohols with internal alkynes under nickel(II) catalysis, wherein alcohol is used as an acylating agent. This reaction system affords a wide range of alpha-branched aryl ketone derivatives with zero waste generation through the umpolung borrowing hydrogen strategy. Moreover, we have demonstrated the chemodivergent applications of the alpha-disubstituted ketones to other valuable building blocks, including large-scale synthesis of beta-deuterated branched ketones. Several spectroscopic studies, intermediate identification, and density functional theory calculations were performed to elucidate the reaction mechanism.
}, keywords = {Alcohols, alpha-branched aryl ketones, dehydrogenative coupling, internal alkynes, nickel catalysis, pseudoumpolung}, issn = {2155-5435}, doi = {10.1021/acscatal.3c06091}, author = {Subaramanian, Murugan and Gouda, Chandrakant and Roy, Triptesh Kumar and Ganesan, Sivakumar and Banerjee, Subhrashis and Vanka, Kumar and Balaraman, Ekambaram} } @article {49291, title = {Depolymerization of waste polyethylene to linear alkenes via sequential dehydrogenation and metathesis}, journal = {Green Chemistry}, volume = {26}, year = {2024}, month = {OCT}, pages = {10558-10566}, type = {Article}, abstract = {
Polyethylene (PE) is the most abundantly sourced plastic and significant efforts are needed for its end-of-life management. The deconstruction of PE is an uphill task and requires the breaking of highly stable C-C bonds. Here we demonstrate that PE can be deconstructed to value-added dodecene, along with other long-chain alkenes. The PCP-iridium complex catalyzes the dehydrogenation of commercial and post-consumer polyethylene waste to produce dehydrogenated polyethylene (DHP) with 0.5-1.0\% unsaturation. The DHP was subjected to an ethylene cross-metathesis reaction in the presence of suitable catalysts. Through meticulous optimization of reaction parameters, 63\% selectivity toward dodecene, with 26\% overall yield, was achieved. The practical significance of our method has been demonstrated by subjecting post-consumer plastic waste to dehydrogenation followed by ethylene metathesis to produce dodecene as a major product, together with long-chain alkenes. The PE deconstruction has been confirmed by recording molar mass before and after depolymerization using high-temperature gel permeation chromatography. The existence of dodecene has been unambiguously ascertained using GC, GC-MS, NMR, and IR spectroscopy. Thus, these results demonstrate the conversion of waste PE to value-added dodecene and long-chain alkenes under mild reaction conditions.
}, issn = {1463-9262}, doi = {10.1039/d4gc03646h}, author = {Khopade, Kishor V. and Rajput, Nikhita S. and Rangappa, Raghavendrakumar and Barsu, Nagaraju and Chikkali, Samir H.} } @article {49202, title = {Design of Bi-functional mixed oxide electrodes for selective oxidative C-C cleavage of glycerol to formate and synchronized green hydrogen production}, journal = {Sustainable Energy \& Fuels}, volume = {8}, year = {2024}, month = {JUN }, pages = {2954-2968}, type = {Article}, abstract = {
Alkaline water electrolysis is a mature method to produce green hydrogen; however, it suffers from significantly high cost as high overpotentials are required for the oxygen evolution reaction (OER). However, the OER could be avoided altogether by replacing it with kinetically favorable oxidation of abundantly available feedstock molecules at a significantly low potential to value-added product(s) together with green hydrogen generation. This is a potential method to address the high cost of green hydrogen production while converting waste to wealth. Herein, we report green, template-free hydrothermal synthesis of an electrochemically active NiCoMn mixed oxide (NCMO) electrocatalyst with multiple sites, porous structure, large surface area, and nanoneedle (NN) morphology deposited directly over Ni foam (NF). Sustainable electrocatalytic performance was demonstrated for 120 h in 0.2 M alkaline glycerol using chronoamperometry and chronopotentiometry. Highly selective formate production demonstrated an exclusive C-C cleavage with the present catalyst system. Oxides of individual metal-ions (Ni, Co, and Mn) and their bimetallic combination (NiCo, NiMn, and CoMn) exhibited lower activity and product selectivity than the trimetallic NCMO electrocatalyst. The membrane-free two-electrode electrolyzer setup with NCMO/NF at both the anode and cathode (NCMO/NF \& Vert;NCMO/NF) requires 1.63 V to accomplish 100 mA cm-2 with 0.2 M glycerol, which is 296 mV less than that of 1 M KOH solution. High faradaic efficiency was observed for hydrogen (98\%) with highly selective formate (90\%) production. Electrocatalytic formate generation from an alkaline glycerol solution with NCMO is an energy-efficient and promising approach that also supplies carbon-negative green H2. NiCoMn oxide nanoneedles with a cactus-like morphology are shown as bifunctional electrocatalysts that selectively oxidize glycerol to HCOOH and concurrently produce H2.
}, issn = {2398-4902}, doi = {10.1039/d4se00434e}, author = {Saha, Arindam and Murugiah, Vasantharadevi and Ranjan, Ravi and Chauhan, Inderjeet and Patra, Kshirodra Kumar and Bajpai, Himanshu and Saha, Avisekh and Gopinath, Chinnakonda S.} } @article {49439, title = {Design of human ACE2 mimic miniprotein binders that interact with RBD of SARS-CoV-2 variants of concerns}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2024}, month = {JAN}, type = {Article; Early Access}, abstract = {
The world of medicine demands from the research community solutions to the emerging problem of SARS-CoV-2 variants and other such potential global pandemics. With advantages of specificity over small molecule drugs and designability over antibodies, miniprotein therapeutics offers a unique solution to the threats of rapidly emerging SARS-CoV-2 variants. Unfortunately, most of the promising miniprotein binders are de novo designed and it is not viable to generate molecules for each new variant. Therefore in this study, we demonstrate a method for design of miniprotein mimics from the interaction interphase of human angiotensin converting enzyme 2 (ACE2). ACE2 is the natural interacting partner for the SARS-CoV-2 spike receptor binding domain (RBD) and acts as a recognition molecule for viral entry into the host cells. Starting with ACE2 N-terminal triple helix interaction interphase, we generated more than 70 miniprotein sequences. Employing Rosetta folding and docking scores we selected 10 promising miniprotein candidates amongst which 3 were found to be soluble in lab studies. Further, using molecular mechanics (MM) calculations on molecular dynamics (MD) trajectories we test interaction of miniproteins with RBD from various variants of concern (VOC). Presently, we report two key findings; miniproteins in this study are generated using less than 10 lab testing experiments, yet when tested through in-vitro experiments, they show submicro to nanomolar affinities towards SARS-CoV-2 RBD. Also in simulation studies, when compared with previously developed therapeutics, our miniproteins display remarkable ability to mimic ACE2 interphase; making them an ideal solution to the ever evolving problem of VOCs.
}, keywords = {ACE2 mimics, miniprotein, protein design, SARS-CoV-2, therapeutics, Variant of concern}, issn = {0739-1102}, doi = {10.1080/07391102.2024.2310789}, author = {Gaur, Neeraj K. and Khakerwala, Zeenat and Makde, Ravindra D.} } @article {49355, title = {Design, synthesis, anti-inflammatory evaluation and in silico molecular docking of novel furan-based derivatives as potential TNF-α production inhibitors}, journal = {Letters in Drug Design \& Discovery}, volume = {21}, year = {2024}, month = {JAN}, pages = {2916-2925}, type = {Article}, abstract = {
Introduction Inflammation is the first response and an alarming signal for the onset of chronic disease. Most of the anti-inflammatory drugs available in the market are reported to have undesirable gastrointestinal toxicities. Therefore, it is of urgent significance to develop anti-inflammatory drugs with low toxicity and good efficacy.Methods We created a targeted scaffold based on a literature review by combining the different structural characteristics of furan and benzyl amides into a single pharmacophore. A series of eighteen furan-based derivatives (1-18) were designed, synthesized for in vitro and in vivo anti-inflammatory activity. The characterization of synthesized compounds was elucidated by techniques like 1H-NMR, 13C-NMR, FT-IR and MS.Results The synthetic compounds were examined through molecular docking studies on TNF-alpha for probable binding mode and interactions with hydrophilic and hydrophobic pocket of TNF-alpha in comparison to standard drug (Indomethacin).Conclusion When compared to the standard treatment, compounds 18, 15 and 9 displayed a remarkable inhibitory effect on the production of TNF-alpha and in vivo inflammatory activity with no damage to stomach and reduction of LPO. The compounds 18, 15 and 9 might be a good consideration for potential anti-inflammatory agents.
}, keywords = {analgesic, Anti-inflammatory, Furan-based derivatives, Lipid peroxidation, TNF-alpha, ulcerogenic}, issn = {1570-1808}, doi = {10.2174/1570180820666230828151523}, author = {Bhoge, Satish and Singh, Prabal Pratap and Das, Deepak and Ali, Yakub and Dhulap, Abhijeet} } @article {49343, title = {Design, synthesis, anti-mycobacterial activity, molecular docking and ADME analysis of spiroquinoxaline-1,2,4-oxadiazoles via [3+2] cycloaddition reaction under ultrasound irradiation}, journal = {MOLECULAR DIVERSITY}, volume = {28}, year = {2024}, month = {DEC 2024}, pages = {3979-3991}, type = {Journal Article}, keywords = {2, 4-oxadiazoles, cytotoxicity activity, molecular, Mycobacterium tuberculosis, Spiroquinoxaline-1}, issn = {1381-1991}, doi = {10.1007/s11030-023-10790-9}, author = {Kanchrana, Madhu and Gamidi, Rama Krishna and Kumari, Jyothi and Sriram, Dharmarajan and Basavoju, Srinivas} } @article {49417, title = {Designing of imine thiophene-ligated metal-complexes and implication in ethylene polymerization}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, year = {2024}, month = {SEP}, type = {Article; Early Access}, abstract = {
Polyethylene is the single largest volume polymer produced globally using Ziegler-type catalysts. Numerous modifications have been reported in search of a better catalyst that can control molecular weight, polydispersity, and branching. In our attempts to identify a suitable imine thiophene-ligated chromium complex, we examined 9 different titanium complexes computationally. The DFT investigations considered barriers for insertion, propagation, and termination by beta-H elimination or chain transfer, and identified N-(4-methoxyphenyl)-2-phenyl-1-(thiophen-2-yl)ethan-1-imine(L9) as the most suitable ligand. Subsequently, L9 was prepared in good yield (70\%) by condensing 2-phenyl-1-(thiophen-2-yl)ethan-1-one with 4-methoxyaniline. Ligand L9 was treated with early transition metal precursors (Ti, Cr, Zr) to generate a homogenous catalyst. The identity of these catalysts was unambiguously ascertained using a combination of NMR, ICP, FT-IR, UV-Vis spectroscopy, and ESI-MS. The performance of L9-ligated titanium complex [Cat.1] was examined in ethylene polymerization using MMAO as a co-catalyst. Insertion of ethylene was tracked using high-pressure NMR experiments and Cat.1 was found to be active in the polymerization. Ethylene polymerization conditions were optimized to obtain high activity and molecular weight polyethylene. The chromium complex [Cat.2] outperformed the Ti and Zr-derived catalysts with the highest TOF of 6294 mol of PE/mol of Cr/h. Cat.2 produced high molecular weight, high-density polyethylene.
}, keywords = {Cr-complexes, DFT, high-density polyethylene, Imine thiophene ligand, Polyethylene}, issn = {1060-1325}, doi = {10.1080/10601325.2024.2409753}, author = {Shaikh, Maulali H. and Ramekar, V. Rohan and Jawoor, Shailaja and Dash, Soumya R. and Birajadar, Rajkumar S. and Pawal, Sandip B. and Thenmani, Nandakumar and Vanka, Kumar and Chikkali, Samir H.} } @article {49648, title = {Development of an in silico platform (TRIPinRNA) for the identification of novel RNA intramolecular triple helices and their validation using biophysical techniques}, journal = {Biochemistry}, volume = {64}, year = {2024}, month = {DEC}, pages = {250-265}, type = {Article}, abstract = {
There are surprisingly few RNA intramolecular triple helices known in the human transcriptome. The structure has been most well-studied as a stability-element at the 3 {\textquoteleft} end of lncRNAs such as MALAT1 and NEAT1, but the intrigue remains whether it is indeed as rare as it is understood to be or just waiting for a closer look from a new vantage point. TRIPinRNA, our Python-based in silico platform, allows for a comprehensive sequence-pattern search for potential triplex formation in the human transcriptome-noncoding as well as coding. Using this tool, we report the putative occurrence of homopyrimidine type (canonical) triple helices as well as heteropurine-pyrimidine strand type (noncanonical) triple helices in the human transcriptome and validate the formation of both types of triplexes using biophysical approaches. We find that the occurrence of triplex structures has a strong correlation with local GC content, which might be influencing their formation. By employing a search that encompasses both canonical and noncanonical triplex structures across the human transcriptome, this study enriches the understanding of RNA biology. Lastly, TRIPinRNA can be utilized in finding triplex structures for any organism with an annotated transcriptome.
}, issn = {0006-2960}, doi = {10.1021/acs.biochem.4c00334}, author = {Rakheja, Isha and Bharti, Vishal and Sahana, S. and Das, Prosad Kumar and Ranjan, Gyan and Kumar, Ajit and Jain, Niyati and Maiti, Souvik} } @article {49086, title = {Diastereoselective synthesis of functionalized spiroindolines via intramolecular ipso-iodocyclization/nucleophile addition cascade reactions of indole-tethered ynones}, journal = {Organic and biomolecular chemistry}, volume = {22}, year = {2024}, month = {MAY }, pages = {3415-3419}, type = {Article}, abstract = {
Herein, we describe a highly diastereoselective approach for synthesizing polyfunctionalized spiroindolines from indolyl-ynones involving an ipso-iodocyclization/nucleophile addition cascade. The developed strategy allows the formation of a spirocyclic core and the installation of two functional groups in a single operation. Also this strategy is accompanied by the generation of two C-C and one C-I bonds and two contiguous stereocenters.
}, issn = {1477-0520}, doi = {10.1039/d4ob00112e}, author = {Bag, Debojyoti and Sawant, Sanghapal D.} } @article {49612, title = {Dietary supplementation of lactococcus lactis subsp. lactis BIONCL17752 on growth performance, and gut microbiota of broiler chickens}, journal = {Probiotics and Antimicrobial Proteins}, year = {2024}, month = {JUN}, type = {Article}, abstract = {
The rapid rise of antimicrobial resistance (AMR) is a global concern, being triggered by the overuse or misuse of antibiotics in poultry farming sector. We evaluated Lactococcus lactis subsp. lactis BIONCL17752 strain, and characterized its probiotic potential to endure hostile gastrointestinal conditions. Genome sequencing analysis revealed probiotics traits, and gene clusters involved in bacteriocins, lactococcin A, and sactipeptides production. The absence of genes for antibiotic resistance, virulence, and biogenic amine production indicates the potential of probiotic strain. The BIONCL17752 strain was explored for antibiotic-free feed supplement for growth promotor in broiler chicken. The feed supplemented with 4 x 109 CFU/kg of probiotic strain, in combination with various concentrations of fructooligosaccharides (FOS) 1.0, 2.5, and 5.0 kg/tonne in starter, grower, and finisher diets, respectively. A significant improvement of body weight 152 to 171 g/bird (p \< 0.05), and a low feed conversion ratio (FCR) of 1.62, was achieved without using synthetic antibiotics for growth promotion. The results of biochemical, hematological, and histological examinations showed normal features, indicating that the treatment had no harmful effects on the bird{\textquoteright}s health. Reduced levels of cholesterol, triglycerides, high-density lipoprotein (HDL), and low-density lipoprotein (LDL) in serum are an indication of the health benefits for the treated birds. Microbial community analysis of fecal samples of poultry birds exhibited a higher abundance of Bacteroidetes, Firmicutes, Proteobacteria, Actinobacteria, and Fusobacteria. Probiotic treatment resulted in reduced Firmicutes and increased Bacteroidetes (F/B ratio) in the broiler{\textquoteright}s gut which highlights the benefits of probiotic dietary supplements. Importantly, the probiotic-fed group exhibited a high abundance of carbohydrate-active enzymes (CAZyme) such as glycoside hydrolases (GH), glycoside transferases (GT), and carbohydrate-binding module (CBM) hydrolases which are essential for the degradation of complex sugar molecules. The probiotic potential of the BIONCL17752 strain contributes to broilers{\textquoteright} health by positively affecting intestinal microbiota, achieving optimal growth, and lowering mortality, demonstrating the economic benefits of probiotic treatment in organic poultry farming.
}, keywords = {Antibiotic growth promotor, Broiler chickens, Functional genome analysis, Growth performance, Gut microbiota, Lactococcus lactis subsp. lactis}, issn = {1867-1306}, doi = {10.1007/s12602-024-10313-4}, author = {Navale, Vishwambar D. and Yadav, Rakeshkumar and Khilari, Ajinkya and Dharne, Mahesh and Shanmugam, Dhanasekaran and Vamkudoth, Koteswara Rao} } @article {49198, title = {Differential cellular communication in tumor immune microenvironment during early and advanced stages of lung adenocarcinoma}, journal = {Molecular Genetics and Genomics}, volume = {299}, year = {2024}, month = {DEC}, pages = {100}, type = {Article}, abstract = {
Heterogeneous behavior of each cell type and their cross-talks in tumor immune microenvironment (TIME) refers to tumor immunological heterogeneity that emerges during tumor progression and represents formidable challenges for effective anti-tumor immune response and promotes drug resistance. To comprehensively elucidate the heterogeneous behavior of individual cell types and their interactions across different stages of tumor development at system level, a computational framework was devised that integrates cell specific data from single-cell RNASeq into networks illustrating interactions among signaling and metabolic response genes within and between cells in TIME. This study identified stage specific novel markers which remodel the cross-talks, thereby facilitating immune stimulation. Particularly, multicellular knockout of metabolic gene APOE (Apolipoprotein E in mast cell, myeloid cell and fibroblast) combined with signaling gene CAV1 (Caveolin1 in endothelial and epithelial cells) resulted in the activation of T-cell mediated signaling pathways. Additionally, this knockout also initiated intervention of cytotoxic gene regulations during tumor immune cell interactions at the early stage of Lung Adenocarcinoma (LUAD). Furthermore, a unique interaction motif from multiple cells emerged significant in regulating the overall immune response at the advanced stage of LUAD. Most significantly, FCER1G (Fc Fragment of IgE Receptor Ig) was identified as the common regulator in activating the anti-tumor immune response at both stages. Predicted markers exhibited significant association with patient overall survival in patient specific dataset. This study uncovers the significance of signaling and metabolic interplay within TIME and discovers important targets to enhance anti-tumor immune response at each stage of tumor development.
}, keywords = {Early and advanced stages of Lung Adenocarcinoma, Immunomodulation, Multicellular communication, Signaling-metabolic cross-talks, Tumor immune microenvironment, Tumor immunological heterogeneity}, issn = {1617-4615}, doi = {10.1007/s00438-024-02193-8}, author = {Shukla, Mudita and Sarkar, Ram Rup} } @article {49222, title = {Direct oxidation of alcohols to carboxylic acids using simple and economical Pd@Glu-HTC catalyst: practical and scalable approach towards biomass based value added chemicals}, journal = {Biomass \& Bioenergy}, volume = {187}, year = {2024}, month = {AUG}, pages = {107290}, type = {Article}, abstract = {
Sustainable catalytic transformation of bio-based alcohols to high value-added fine chemicals is an important topic of research. This work described preparation of simple and economical Pd@Glu-HTC catalyst from biomass derived low cost D-glucose. Hydrothermal carbonization of glucose was carried out in first step to synthesize GluHTC support in a simpler, greener, economical and efficient manner followed by incorporation of palladium metal on surface of the catalyst in second step. The catalyst was characterized using techniques such as Fourier Transform Infrared Spectroscopy (FT-IR), Solid-state Cross-Polarization Magic Angle Spinning Carbon-13 (13C CPMAS), Energy-dispersive X-ray spectroscopy (EDAX), Powder X-ray diffraction (P-XRD), X-ray photoelectron spectroscopy (XPS), Thermogravimetric/Differential Thermal Analyzer (TG-DTA), Field emission scanning electron microscopy (FE-SEM) and High-resolution transmission electron microscopy (HR-TEM). The catalyst was evaluated for direct oxidation of alcohols to yield carboxylic acids and exhibited very good catalytic activity for wider substrate scope. Oxidation of alcohols was carried out using milder base, molecular oxygen and water as a solvent to achieve 92-99 \% excellent yields. The practical utility of current strategy was also studied for gram scale synthesis of bio-based value added industrially important chemicals such as furoic acid (flavouring agent and preservative in industry), 2, 5-furan-dicarboxylic acid (monomer to 100 \% fossil-free, recyclable polymer polyethylene furanoate (PEF), tetrahydro-2-furoic acid (production of many drugs) and vanillin (important product of flavor and fragrance industry). Pd@Glu-HTC catalyst was found to be reusable for four recycles and the catalytic performance was retained without any loss in its activity after four cycles.
}, keywords = {Bio-based chemicals, Carbonaceous catalyst, Carboxylic acid, Oxidation}, issn = {0961-9534}, doi = {10.1016/j.biombioe.2024.107290}, author = {Kirdant, Swapnali P. and Bankar, Shubham R. and Jadhav, Vrushali H.} } @article {49345, title = {Discovery of free glycated amines and glycated urea in diabetic plasma: potential implications in diabetes}, journal = {ACS Omega}, volume = {9}, year = {2024}, month = {MAY }, pages = {24907-24915}, type = {Article}, abstract = {
The role of protein glycation in the pathogenesis of diabetes has been well established. Akin to proteins, free amino acids and other small-molecule amines are also susceptible to glycation in hyperglycemic conditions and may have a role in the pathogenesis of the disease. However, information about glycation of free amino acids and other small-molecule amines is relatively obscure. In the quest to discover small-molecule glycated amines in the plasma, we have synthesized glycated amino acids, glycated creatine, and glycated urea, and by using a high-resolution accurate mass spectrometer, a mass spectral library was developed comprising the precursor and predominant fragment masses of glycated amines. Using this information, we report the discovery of the glycation of free lysine, arginine, and leucine/isoleucine from the plasma of diabetic patients. This has great physiological significance as glycation of these amino acids may create their deficiency and affect vital physiological processes such as protein synthesis, cell signaling, and insulin secretion. Also, these glycated amino acids could serve as potential markers of diabetes and its complications. While other amines, such as creatinine and urea, accumulate in the plasma and act as biomarkers of diabetic nephropathy. For the first time, we report the detection of glycated urea in diabetic plasma, which is confirmed by matching the precursor and fragment masses with the in vitro synthesized glycated urea by using C-12(6) and C-13(6)-glucose. Further, we quantified glycated urea detected in two forms, monoglycated urea (MGU) and diglycated urea (DGU), by a targeted mass spectrometric approach in the plasma of healthy, diabetic, and diabetic nephropathy subjects. Both MGU and DGU showed a positive correlation with clinical parameters, such as blood glucose and HbA1c. Given that urea gets converted to glycated urea in hyperglycemic conditions, it is crucial to quantify MGU and DGU along with the urea for the diagnosis of diabetic nephropathy and study their physiological role in diabetes.
}, issn = {2470-1343}, doi = {10.1021/acsomega.4c01772}, author = {Shaikh, Rashdajabeen Q. and Das, Sancharini and Chaurasiya, Arvindkumar and Ashtamy, Murali G. and Sheikh, Amreen B. and Fernandes, Moneesha and Tiwari, Shalbha and Unnikrishnan, Ambika G. and Kulkarni, Mahesh J.} } @article {49040, title = {Dishevelled2 activates WGEF via its interaction with a unique internal peptide motif of the GEF}, journal = {COMMUNICATIONS BIOLOGY}, volume = {7}, year = {2024}, month = {MAY }, pages = {543}, type = {Article}, abstract = {
The Wnt-planar cell polarity (Wnt-PCP) pathway is crucial in establishing cell polarity during development and tissue homoeostasis. This pathway is found to be dysregulated in many pathological conditions, including cancer and autoimmune disorders. The central event in Wnt-PCP pathway is the activation of Weak-similarity guanine nucleotide exchange factor (WGEF) by the adapter protein Dishevelled (Dvl). The PDZ domain of Dishevelled2 (Dvl2PDZ) binds and activates WGEF by releasing it from its autoinhibitory state. However, the actual Dvl2PDZ binding site of WGEF and the consequent activation mechanism of the GEF have remained elusive. Using biochemical and molecular dynamics studies, we show that a unique {\textquoteleft}{\textquoteleft}internal-PDZ binding motif{\textquoteright}{\textquoteright} (IPM) of WGEF mediates the WGEF-Dvl2PDZ interaction to activate the GEF. The residues at P 2 , P 0 , P -2 and P -3 positions of IPM play an important role in stabilizing the WGEFpep-Dvl2PDZ interaction. Furthermore, MD simulations of modelled Dvl2PDZ-WGEFIPM peptide complexes suggest that WGEF-Dvl2PDZ interaction may differ from the reported Dvl2PDZ-IPM interactions. Additionally, the apo structure of human Dvl2PDZ shows conformational dynamics different from its IPM peptide bound state, suggesting an induced fit mechanism for the Dvl2PDZ-peptide interaction. The current study provides a model for Dvl2 induced activation of WGEF. This study identifies a unique {\textquoteleft}{\textquoteleft}internal-PDZ binding motif{\textquoteright}{\textquoteright} (IPM) of WGEF that mediates its interaction with Dvl2PDZ, leading to the release of GEF from its autoinhibitory state. It further unravels the underlying mutual Dvl2-IPM recognition aspects.
}, doi = {10.1038/s42003-024-06194-6}, author = {Omble, Aishwarya and Mahajan, Shrutika and Bhoite, Ashwini and Kulkarni, Kiran} } @article {49028, title = {Divergent access to polycyclic spiro- and fused-N,O-ketals through Bi(OTf)3-catalyzed [4+2]-annulation of cyclic N-sulfonyl ketimines and alkynols}, journal = {Chemical Communications}, volume = {60}, year = {2024}, month = {JAN}, pages = {1144-1147}, type = {Article}, abstract = {
Bismuth(iii) triflate-catalyzed [4+2]-annulation of cyclic N-sulfonyl ketimines (derived from saccharin) and alkynyl alcohols (4-pentyn-1-ols and 5-hexyn-1-ols) has been reported. This cascade annulation provides a diverse array of polycyclic spiro-and-fused N,O-ketals with excellent substrate scope, good isolated yields, and diastereoselectivities under mild reaction conditions.
}, issn = {1359-7345}, doi = {10.1039/d3cc05599j}, author = {Nakate, Ashwini K. and Kataria, Priyanka and Sambherao, Pooja I. and Krishna, Gamidi Rama and Kontham, Ravindar} } @article {49228, title = {Divergent synthesis of unsymmetrical Bis-heteroaryl ketones via base-promoted cascade reactions of 1,2-alkynedione-derived N-propargylic β-enaminones}, journal = {JOURNAL OF ORGANIC CHEMISTRY}, volume = {89}, year = {2024}, month = {AUG }, pages = {11665-11670}, type = {Journal Article}, keywords = {ASYMMETRIC-SYNTHESIS, heterocycles, intramolecular cyclization, pyrroles}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c01407}, author = {Bag, Debojyoti and Saini, Sheetal and Rathod, Mahesh S. and Sawant, Sanghapal D.} } @article {49337, title = {DNA-mediated formation of phase-separated coacervates of the nucleic acid-binding domain of TAR DNA-binding protein (TDP-43) prevents its amyloid-like misfolding}, journal = {ACS Chemical Neuroscience}, volume = {15}, year = {2024}, month = {OCT }, pages = {4105-4122}, type = {Article}, abstract = {
Sequestration of protein molecules and nucleic acids to stress granules is one of the most promising strategies that cells employ to protect themselves from stress. In vitro, studies suggest that the nucleic acid-binding domain of TDP-43 (TDP-43tRRM) undergoes amyloid-like aggregation to beta-sheet-rich structures in low pH stress. In contrast, we observed that the TDP-43tRRM undergoes complex coacervation in the presence of ssDNA to a dense and light phase, preventing its amyloid-like aggregation. The soluble light phase consists of monomeric native-like TDP-43tRRM. The microscopic data suggest that the dense phase consists of spherical coacervates with limited internal dynamics. We performed multiparametric analysis by employing various biophysical techniques and found that complex coacervation depends on the concentration and ratio of the participating biomolecules and is driven by multivalent interactions. The modulation of these forces due to environmental conditions or disease mutations regulates the extent of coacervation, and the weakening of interactions between TDP-43tRRM and ssDNA leads to amyloid-like aggregation of TDP-43tRRM. Our results highlight a competition among the native state, amyloid-like aggregates, and complex coacervates tuned by various environmental factors. Together, our results illuminate an alternate function of TDP-43tRRM in response to pH stress in the presence of the ssDNA.
}, keywords = {amyloid-likeaggregation, complex coacervation, DNA-protein interactions, Dynamics, pH stress, TDP-43}, issn = {1948-7193}, doi = {10.1021/acschemneuro.4c00117}, author = {Patni, Divya and Patil, Anjali D. and Kirmire, Mona S. and Jha, Anjali and Jha, Santosh Kumar} } @article {49442, title = {Dual modification of tau by pseudophosphorylation and glycation does not enhance amorphous aggregation}, journal = {Cellular Physiology and Biochemistry}, year = {2024}, month = {APR}, type = {Article}, abstract = {
Background/Aims:

\ The neurofibrillary tangles consisting of Tau protein are an important pathology in Alzheimer{\textquoteright}s disease. The paired helical filaments of Tau form most of the NFTs. These PHFs of Tau are found to carry numerous post-translational modifications, which stabilize them and aid in aggregation. The mechanistic function of Tau is to bind and stabilize the axonal microtubules. Hyperphosphorylation of Tau causes it to compromise its physiological function and accumulate in the neurons in the form of aggregates. Such residue-specific phosphorylation has been studied by employing Tau pseudophosphorylation mutants. But in addition to phosphorylation, several other modifications also aid in stabilizing the Tau PHF. Glycation is one such non-enzymatic PTM caused by sugars and their reactive intermediates. In this study, we employed the pseudophosphorylated Tau double mutants (262/404D, 262/396D, and 231/262) for studying their modification by methyl glyoxal, a reactive intermediate of glucose metabolism.\

Methods:

\ We studied various biophysical properties like aggregation propensity, Advanced glycation end-product formation, and global conformation of the Tau with dual modifications. Our study includes the use of\ in vitro\ techniques e.g., ThS fluorescence assay, electron microscopy, CD spectroscopy, SDS-PAGE.\

Results:

\ The overall result of the study suggest that the MG-induced Tau aggregation is influenced by the residue-specific Tau phosphorylation.\

Conclusion:

\ In conclusion, the combinatorial effect of discreet PTMs on Tau function could lead to a better understanding of Tauopathy.
}, doi = {10.33594/000000693}, author = {Chinnathambi, Subashchandrabose and Sonawane, Shweta Kishor and Chandrashekar, Madhura and Chidambaram, Hariharakrishnan and Thulasiram, Shrivatsa and Kulkarni, Mahesh J.} } @article {49119, title = {Durable and stable bifunctional Co3O4-based nanocatalyst for oxygen reduction/evolution reactions}, journal = {ACS Applied Nano Materials}, volume = {7}, year = {2024}, month = {FEB }, pages = {3620-3630}, type = {Article}, abstract = {
The oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are recognized as the core reaction processes in regenerative energy storage and conversion systems. The design of cost-effective and high-performance bifunctional ORR/OER electrocatalysts (ECs) is very important for their substantial commercialization. Herein, sponge-like Co3O4 nanoparticles anchored on carbon (Sp-Co3O4/C) are successfully fabricated by a facile two-step solvothermal strategy for ORR/OER in an alkaline electrolyte. The Sp-Co3O4/C EC exhibits promising bifunctional ORR/OER activity with ORR onset potential (E onset = 0.88 V vs RHE), half-wave potential (E (1/2) = 0.75 V), limiting current density (j = -6.60 mA cm(-2)), OER onset potential (E-onset = 1.26 V), and OER overpotential for 10\% energy conversion (eta(10) = 0.38 V) in 0.1 M KOH. It demonstrates a significantly lower reversibility index (Delta E = E- j10 - E 1/2 = 0.86 V), comparable to standard Pt/C and RuO2 ECs. The superior ORR/OER performances of Sp-Co3O4/C EC can be ascribed to the synergistic contribution of a high electrochemically active surface area (48.33 m(2) g(-1)), BET surface area (131 m(2) g(-1)), the rich interfacial structure of the crystal facets (111), (220), and (311), and the abundant oxygen vacancies in the sponge-like morphology. Besides the methanol tolerance, accelerated durability and chronoamperometric test established excellent durability and stability in the electrocatalytic operation. This work offers insight into the development of high-performance ORR/OER ECs. [GRAPHICS]
}, keywords = {bifunctional, fuel cell, interface, oxygen evolution, oxygen reduction, Oxygen vacancy, Sp-Co3O4/C, sponge-like morphology}, doi = {10.1021/acsanm.3c04941}, author = {Chutia, Bhugendra and Chetry, Rashmi and Rao, Komateedi N. and Singh, Nittan and Sudarsanam, Putla and Bharali, Pankaj} } @article {49330, title = {Durable polymer composites preparation with oxy-delignified banana fiber for automotive parts: A study on mechanical and thermal properties}, journal = {INDUSTRIAL CROPS AND PRODUCTS}, volume = {222}, year = {2024}, month = {DEC }, type = {Journal Article}, keywords = {Automotive parts, Banana fiber, Oxygen delignification, polypropylene, Twin-screw extruder}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2024.119942}, author = {Mulla, Abdul Mannan and Munagala, Chandan K. and Kesari, Aman K. and Raju, L. Yugender and Nagar, Harsha and Behara, Dilip K. and Aniya, Vineet} } @article {49294, title = {Dynamic cellular responses to gravitational forces: exploring the impact on white blood cell(s)}, journal = {Biomicrofluidics}, volume = {18}, year = {2024}, month = {SEP}, pages = {054112}, type = {Article}, abstract = {
In recent years, the allure of space exploration and human spaceflight has surged, yet the effects of microgravity on the human body remain a significant concern. Immune and red blood cells rely on hematic or lymphatic streams as their primary means of transportation, posing notable challenges under microgravity conditions. This study sheds light on the intricate dynamics of cell behavior when suspended in bio-fluid under varying gravitational forces. Utilizing the dissipative particle dynamics approach, blood and white blood cells were modeled, with gravity applied as an external force along the vertical axis, ranging from 0 to 2 g in parameter sweeps. The results revealed discernible alterations in the cell shape and spatial alignment in response to gravity, quantified through metrics such as elongation and deformation indices, pitch angle, and normalized center of mass. Statistical analysis using the Mann-Whitney U test underscored clear distinctions between microgravity (\<1 g) and hypergravity (\>1 g) samples compared to normal gravity (1 g). Furthermore, the examination of forces exerted on the solid, including drag, shear stress, and solid forces, unveiled a reduction in the magnitude as the gravitational force increased. Additional analysis through dimensionless numbers unveiled the dominance of capillary and gravitational forces, which impacted cell velocity, leading to closer proximity to the wall and heightened viscous interaction with surrounding fluid particles. These interactions prompted shape alterations and reduced white blood cell area while increasing red blood cells. This study represents an effort in comprehending the effects of gravity on blood cells, offering insights into the intricate interplay between cellular dynamics and gravitational forces.
}, doi = {10.1063/5.0216617}, author = {Murali, Anirudh and Sarkar, Ram Rup} } @article {49455, title = {Early detection of KP.2 SARS-CoV-2 variant using wastewater-based genomic surveillance in Pune, Maharashtra, India}, journal = {Journal of Travel Medicine}, year = {2024}, month = {JUL}, type = {Article}, doi = {https://doi.org/10.1093/jtm/taae097}, author = {Rajput, Vinay and Das, Rashmita and Pramanik, Rinka and Nannaware, Kiran and Sushma, Y. and Taji, Nyabom and Rajput, Vishal and Rajkhowa, Riyakshi and Pacharne, Poonam and Shah, Priyanki and Gogate, Niharika and Sangwar, Poornima and Bhalerao, Asim and Jain, Nidhi and Kamble, Sanjay and Dastager, Syed and Shashidhara, L. S. and Karyakarte, Rajesh and Dharne, Mahesh} } @article {49371, title = {Editorial: microbial biodiversity and bioprospecting in polar ecosystems in the genomics era}, journal = {FRONTIERS IN MICROBIOLOGY}, volume = {15}, year = {2024}, month = {OCT }, type = {Editorial }, keywords = {diversity, FJORD}, doi = {10.3389/fmicb.2024.1504105}, author = {Rizzo, Carmen and Dastager, Syed Gulam and Ay, Hilal} } @article {49408, title = {Effect of citral partitioning on structural and mechanical properties of lipid membranes}, journal = {European Physical Journal-Special Topics}, volume = {233}, year = {2024}, month = {DEC}, pages = {3009-3021}, type = {Article}, abstract = {
Delineating the interactions of cellular metabolites with lipid membranes and their effects on membrane physical and mechanical properties constitutes a key step for comprehensively understanding their biological function. The plant metabolite-citral is widely used in biotechnological and cosmeceutical processes, but significant gaps remain in our understanding of how it affects cellular membranes that it interacts with. In this study, we unravel the molecular mechanisms underlying the interactions of citral with compositionally distinct model membranes using atomistic molecular dynamics simulations. Specifically, we investigate two distinct membrane compositions: the neutral phosphatidylcholine-phosphatidylethanolamine (DOPC:DOPE) bilayer, representing mammalian cell membranes and the anionic phosphatidylcholine-phosphatidylglycerol (DOPC:DOPG) bilayer, mimicking bacterial cell membranes. Our simulations reveal that citral molecules readily partition into both membranes without distinct composition-dependent effects. Monomeric citral molecules localize mainly at the interface of the acyl chain region of the lipids, and a few translocation events are sampled in the simulations. Interestingly, we observe small differences in lipid fluidity although the citral molecules significantly influence the rigidity of lipid bilayers, and a higher bending modulus was observed in DOPC:DOPE lipid bilayers compared to DOPC:DOPG bilayers. Further, citral partitioning induces an increased tendency for lipid demixing in DOPC:DOPE membranes, as evidenced by the decreased values of the Shannon entropy. Our work is an important step to elucidate the molecular processes that underlie the differential impact of cell metabolites on compositionally distinct lipid membranes.
}, issn = {1951-6355}, doi = {10.1140/epjs/s11734-024-01147-w}, author = {Saraf, Deepashri and Porte, Sudha and Sengupta, Durba} } @article {49099, title = {Effect of covalently functionalized Indian bentonite clay on thermal, mechanical strength and morphology structure of extrusion/injection-molded nylon 6 composites}, journal = {Polymers for Advanced Technologies}, volume = {35}, year = {2024}, month = {MAY}, pages = {e6412}, type = {Article}, abstract = {
The research and development of functional polymer composites and their production have posed significant challenges, particularly in creating high mechanical strength and thermal stability composites. In this study, we utilized a micro corotation extruder and injection molding to produce covalently functionalized Indian bentonite clay-nylon 6 high-strength nanocomposites. For comparison, two different amines, 3-aminopropyl trimethoxysilane and N-[3-(trimethoxysilyl) propyl] ethylene di-amine, were used to functionalize bentonite clay. Additionally, 3\% and 5\% less amino clay filler was added in the nanocomposite to manufacture the polymer composite. Analytical techniques such as Powder X-Ray Diffraction, Fourier transform infrared, thermal gravimetric analysis, and Brunauer-Emmett-Teller surface area were used to characterize the molecular orientation of amine functionalization on clay minerals. Wide-angle X-ray diffraction, atomic force microscopy, and transmission electron microscope were used to characterize the nylon 6 intercalated in amino clay nanocomposite and the polymer structure morphology. Thermogravimetric analysis and differential scanning calorimetry were used to investigate the crystalline thermal behavior of clay-nylon 6 composites. From the results, it was observed that the composition containing 5 wt.\% amino clay demonstrated a significant improvement in tensile strength when compared with the composition containing 3 wt.\% amino clay. The mechanical strength and the thermal behavior showed a significant improvement of similar to 200\% for 5\% amino clay-nylon 6 nanocomposite.
}, keywords = {amine-functionalized clay, bentonite clay, melt intercalation, Nanocomposite, nylon 6, thermal and mechanical properties}, issn = {1042-7147}, doi = {10.1002/pat.6412}, author = {Shanmugam, Kumaresan and Rokade, Dhammaraj S. and Ingole, Pravin G. and Pol, Harshawardhan V. and Arunachalam, Saravanakumar and Bajaj, Hari C.} } @article {48905, title = {Effect of CTMABr/SiO2 molar ratio in synthesis of micro-mesoporous ZSM-5 composite and its application in 5-EMF (biofuel additive) formation}, journal = {Environmental Progress and Sustainable Energy }, volume = {43}, year = {2024}, month = {JAN}, type = {Article}, abstract = {
Synthesis of micro-mesoporous zeolite composite with optimum micro and mesoporosity is an emerging research area due to its wide applications, especially in bulk chemical or biomass transformations. It offers advantages in preserving zeolite crystallinity, creating mesoporosity and converting bulky molecules into valuable products. This work presents the process of preparing bimodal micro-mesoporous ZSM-5 using dual templates (CTMABr and TPABr). XRD, N2 adsorption-desorption, SEM, TEM, Si-29, and Al-27 NMR were used to analyze the two-dimensional micro-mesoporous ZSM-5. One-step synthesis of bimodal micro-mesoporous ZSM-5 features dual micro/mesoporosity by a marginal decrease in the crystallinity (71\%). Micro-mesoporous ZSM-5 composite was found to be dependent on the optimum CTMABr/SiO2 molar ratio of 0.04 to 0.06. The micro-mesoporous ZSM-5 zeolite composite was evaluated for cascade synthesis of 5-EMF (methoxymethyl furfural- biofuel additive) from fructose and exhibited a five fold increase in 5-EMF yield to 24.2\% as compared with parent ZSM-5 (4.6\%).
}, keywords = {fructose, methoxymethyl furfural-biofuel additive, micro-meso composite, ZSM-5}, issn = {1944-7442}, doi = {10.1002/ep.14258}, author = {Manal, Prajakta N. and Niphadkar, Prashant S. and Nandanwar, Sachin U. and Bokade, Vijay V.} } @article {49636, title = {Effect of furfural, acetic acid and 5-hydroxymethylfurfural on yeast growth and xylitol fermentation using Pichia stipitis NCIM 3497}, journal = {Biomass Conversion and Biorefinery}, volume = {14}, year = {2024}, month = {FEB}, pages = {4909-4923}, type = {Article}, abstract = {
The valorization of C5 sugars (xylose) from hemicellulose of agro-industrial residues to xylitol, as one of the multi-products biorefinery approach, mandates the pretreatment of biomass which releases fermentable sugars along with the generation of biological inhibitors affecting xylitol fermentation. This study was therefore evaluated to understand the inhibitory kinetics of furfural, 5-hydroxymethylfurfural and acetic acid on xylitol fermentation. Xylitol fermentation was established using Pichia stipitis NCIM 3497 with xylose as a pure substrate optimized for xylitol yield and productivity of 0.48 g/g of xylose and 0.13 g/L/h, respectively. The functional relationship of yeast specific growth rate and limiting substrate (xylose) was expressed by Monod-type kinetics. The inhibition kinetics results indicated that the effect of inhibitors on xylitol fermentation was furfural \> acetic acid \> HMF. Furfural (500 mg/L) and acetic acid (1000 mg/L) reduced xylitol yield by 59\% and 44\%, respectively, with least reduction of 9.89\% exhibited by HMF. The synergistic effect of 500 mg/L furfural, 500 mg/L HMF and 1000 mg/L acetic acid showed the highest reduction in xylitol yield of 67.6\% as compared to the control. Kinetic studies predicted that the maximum concentration of furfural, HMF and acetic acid which inhibited P. stipitis growth was 884 mg/L, 3258 mg/L and 2922 mg/L, respectively, whereas xylitol production was completely inhibited at 1069 mg/L furfural, 3498 mg/L HMF and 3714 mg/L acetic acid. Furfural and acetic acid were found to be a competitive inhibitor, while uncompetitive inhibition was observed with HMF indicating negligible effect on xylitol fermentation.
}, keywords = {Acetic acid, furfural, HMF, Inhibition kinetics, Pichia stipitis, Xylitol fermentation}, issn = {2190-6815}, doi = {10.1007/s13399-022-02758-w}, author = {Bhavana, B. K. and Mudliar, Sandeep N. and Bokade, V. V. and Debnath, S.} } @article {49037, title = {Effect of position of donor units and alkyl groups on dye-sensitized solar cell device performance: indoline-aniline donor-based visible light active unsymmetrical squaraine dyes}, journal = {ACS Om.}, volume = {9}, year = {2024}, month = {MAR}, pages = {16429-16442}, type = {Article}, abstract = {
Indoline (In) and aniline (An) donor-based visible light active unsymmetrical squaraine (SQ) dyes were synthesized for dye-sensitized solar cells (DSSCs), where the position of An and In units was changed with respect to the anchoring group (carboxylic acid) to have In-SQ-An-CO2H and An-SQ-In-CO2H sensitizers, AS1-AS5. Linear or branched alkyl groups were functionalized with the N atom of either In or An units to control the aggregation of the dyes on TiO2. AS1-AS5 exhibit an isomeric pi-framework where the squaric acid unit is placed in the middle, where AS2 and AS5 dyes possess the anchoring group connected with the An donor, and AS1, AS3, and AS4 dyes having the anchoring group connected with the In donor. Hence, the conjugation between the middle squaric acid acceptor unit and the anchoring -CO2H group is short for AS2, AS5, and AK2 and longer for AS1, AS3, and AS4 dyes. AS dyes showed absorption between 501 and 535 nm with extinction coefficients of 1.46-1.61 x 10(5) M-1 cm(-1). Further, the isomeric pi-framework of An-SQ-In-CO2H and In-SQ-An-CO2H exhibited by means of changing the position of In and An units a bathochromic shift in the absorption properties of AS2 and AS5 compared to the AS1, AS3, and AS4 dyes. The DSSC device fabricated with the dyes contains short acceptor-anchoring group distance (AS2 and AS5) showed high photovoltaic performances compared to the dyes having longer distance (AS1, AS3, and AS4) with the iodolyte (I-/I-3(-)) electrolyte. DSSC device efficiencies of 5.49, 6.34, 6.16, and 5.57\% have been achieved for AS1, AS2, AS3, and AS4 dyes, respectively; without chenodeoxycholic acid (CDCA), small changes have been observed in the device performance of the AS dyes with CDCA. Significant changes have been noted in the DSSC parameters (open-circuit voltage V-OC, short-circuit current J(SC), fill factor ff, and efficiency eta) for the AS5 dye while sensitized with CDCA and showed highest DSSC efficiency of 8.01\% in the AS dye series. This study revealed the potential of shorter SQ acceptor-anchoring group distance over the longer one and the importance of alkyl groups on the overall DSSC device performance for the unsymmetrical squaraine dyes.
}, issn = {2470-1343}, doi = {10.1021/acsomega.4c00123}, author = {Singh, Amrita and Singh, Ambarish Kumar and Dixit, Ruchi and Vanka, Kumar and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {49029, title = {Effect of the presence of pinned particles on the structural parameters of a liquid and correlation between structure and dynamics at the local level}, journal = {Journal of Chemical Physics}, volume = {160}, year = {2024}, month = {APR }, type = {Article}, abstract = {
Pinning particles at the equilibrium configuration of the liquid is expected not to affect the structure and any property that depends on the structure while slowing down the dynamics. This leads to a breakdown of the structure dynamics correlation. Here, we calculate two structural quantities: the pair excess entropy, S-2, and the mean field caging potential, the inverse of which is our structural order parameter (SOP). We show that when the pinned particles are treated the same way as the mobile particles, both S-2 and SOP of the mobile particles remain the same as those of the unpinned system, and the structure dynamics correlation decreases with an increase in pinning density, {\textquoteleft}{\textquoteleft}c.{\textquoteright}{\textquoteright} However, when we treat the pinned particles as a different species, even if we consider that the structure does not change, the expression of S-2 and SOP changes. The microscopic expressions show that the interaction between a pinned particle and a mobile particle affects S-2 and SOP more than the interaction between two mobile particles. We show that a similar effect is also present in the calculation of the excess entropy and is the primary reason for the well-known vanishing of the configurational entropy at high temperatures. We further show that, contrary to the common belief, the pinning process does change the structure. When these two effects are considered, both S-2 and SOP decrease with an increase in {\textquoteleft}{\textquoteleft}c,{\textquoteright}{\textquoteright} and the correlation between the structural parameters and the dynamics continues even for higher values of {\textquoteleft}{\textquoteleft}c.{\textquoteright}{\textquoteright}
}, issn = {0021-9606}, doi = {10.1063/5.0191680}, author = {Patel, Palak and Bhattacharyya, Sarika Maitra} } @article {49637, title = {Effect of transition metals (Mn, Co, Ni, and Zn) in size-controlled metal ferrite nanocrystals on the electrocatalytic oxygen evolution reaction}, journal = {ACS Applied Nano Materials}, volume = {7}, year = {2024}, month = {JUL}, pages = {17776-17785}, type = {Article}, abstract = {
Metal ferrite (MFO) M2+Fe2O4 (M2+ = Mn, Co, Ni, and Zn) nanocrystals (NCs) with a controlled size of similar to 4 nm were synthesized using stearic acid as the capping agent via a facile solvothermal method. The as-synthesized MnFe2O4 (MnFO), CoFe2O4 (CoFO), NiFe2O4 (NiFO), and ZnFe2O4 (ZnFO) NCs were characterized by XRD, FT-IR, Raman, XPS, TGA, TEM, and HRTEM analyses. The electrocatalytic oxygen evolution reaction (OER) is significant for future renewable energy to produce pure hydrogen (H-2) fuels through H2O splitting. However, because of the complex proton-coupled multielectron transfer process, it is kinetically quite challenging. Fe-containing transition metal-based electrocatalysts are well studied since it has been observed that Fe has a significant role in enhancing OER activity. It is well-known that the size and shape of the Fe/ferrite-based nanoelectrocatalyst play a vital role in electrocatalysis reactions. However, it is also critical to understand the effect of other earth-abundant and cost-effective transition metal ions (e.g., Mn, Co, Ni, and Zn) combined with Fe/ferrite NC-based OER electrocatalytic reactions while keeping the size of NCs constant and compare their electrocatalytic properties toward the development of advanced nanoelectrocatalysts, which is rarely studied to the best of the authors knowledge. Therefore, herein, the electrocatalytic properties for OER were examined by using the as-synthesized MnFO, CoFO, NiFO, and ZnFO NCs to understand the effect of metal ions (Mn, Co, Ni, and Zn) on the Fe-based nanoelectrocatalysts by keeping the size of the nanoelectrocatalysts constant at similar to 4 nm. Additionally, the influence of different substrates, e.g., carbon paper (CP) and nickel foam (NF), on the electrocatalytic activity of MFO (MnFO, CoFO, NiFO, and ZnFO) NCs was also compared. Interestingly, as an OER nanoelectrocatalyst, the CoFO NCs on the CP substrate show better electrochemical OER activity than other MFO NCs, with a Tafel slope value of 49.4 mV dec(-1), an ECSA of 112 cm(2), and a long-term stability of 24 h, which is comparatively higher than the other as-synthesized MFO NCs. On the other hand, MnFO NCs on the NF substrate show better electrochemical OER activity than the other as-synthesized MFO NCs. Therefore, this work highlights the effect of the substrate and the influence of transition metals, e.g., Mn, Co, Ni, and Zn, on size-controlled Fe-based nanoelectrocatalysts toward developing advanced OER electrocatalysts.
}, keywords = {Carbonpaper, electrocatalysis, Ferrites, Nickel foam, Oxygen Evolution Reaction, Size-controlled nanocrystals}, doi = {10.1021/acsanm.4c03007}, author = {Jeyavani, Vijayakrishnan and Manoj, Shanmugasundaram and Mukherjee, Shatabdi Porel} } @article {49312, title = {An effective, facile, and rapid synthesis of nanosized Mn3O4 using a microwave route}, journal = {Journal of Nanoparticle Research}, volume = {26}, year = {2024}, month = {OCT}, pages = {239}, type = {Article}, abstract = {
Microwave-assisted one-pot, one-step, calcination-free synthesis of nanosized Mn3O4 is reported using only benzylamine and manganese acetate. Benzylamine in this protocol plays a vital role for efficient microwave synthesis. This microwave method enables the synthesis of nanosized Mn3O4 in just few hours only in a single step eliminating the need of calcinations of any intermediate. The synthesized nanosized Mn3O4 was analyzed by XRD, HRTEM, EDAX, and Raman spectroscopy. The catalytic and electrochemical properties of as-synthesized Mn3O4 were investigated. In galvanostatic charge-discharge experiments, after 800 cycles, more than 89\% capacitance was retained for electrodes made by as synthesized Mn3O4 nanomaterials indicating its very good stability. In the catalytic conversion of cinnamyl alcohol to cinnamaldehyde via oxidation, using as prepared nanosized Mn3O4 as a catalyst, it displays effective catalytic properties. A probable mechanical study of its formation was also envisaged. This synthesis protocol is additive-free, occurs in a short time, is facile, is energy efficient, and eliminates the use of many chemicals. These silent features make these reported protocols economically viable and environmentally benign which adhere to the principles of Green Chemistry.
}, keywords = {Calcination free, Electrochemical and catalytic properties, Nanosized Mn3O4, Single-step synthesis}, issn = {1388-0764}, doi = {10.1007/s11051-024-06148-3}, author = {Yadav, Akash and Jha, Ratnesh and Bhatkar, Akash and Kamble, Aditi and Vaishnav, Vishal and Bogalera, Shivamurthy P. and Manikandan, Marimuthu and Nayaka, Girish Praveen and Umbarkar, Shubhangi and Raja, Thirumalaiswamy and Bhatte, Kushal D.} } @article {49108, title = {Effects of gamma irradiation on non-polar GaN films deposited on sapphire using pulsed laser deposition}, journal = {Applied Surface Science }, volume = {654}, year = {2024}, month = {MAY }, type = {Article}, abstract = {
The GaN films/layers exposed to gamma-radiations is known to harvest defects and vacancies in the crystals producing donor, acceptor and recombination centers within the bandgap. Therefore it is important to investigate and study the gamma- ray irradiation effects on various physical and chemical properties of a material before any optoelectronic and/or electronic devices are being fabricated. To avoid Stark effect which is observed in most of the optoelectronic devices fabricated using GaN films grew along polar face, use of non-polar GaN films is suggested by researchers. To address such issues the article reports the investigations of physical and chemical properties of non-polar GaN films grown on polar substrate using pulsed laser deposition, which were exposed to the 60Co gamma rays varying dose values. Resistive nature against the impairment of the films caused by gamma-rays observed herewith is highly encouraging, suggesting the use of non-polar GaN films as radiations harden material suitable for fabricating new generation gamma-ray detectors. To our knowledge very limited information is available that report such investigations.
}, keywords = {Gallium nitride, Gamma rays, PL emission, pulsed laser deposition}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2024.159526}, author = {Rajgoli, Tahir and Sant, Tushar and Jejurikar, Suhas M. and Hinge, Sandip and Banpurkar, Arun and Dahiwale, S. S. and Late, Datta} } @article {49379, title = {Efficient electrochemical synthesis of Cu 3 Si/Si hybrids as negative electrode material for lithium-ion battery}, journal = {Journal of Alloys and Compounds}, volume = {998}, year = {2024}, month = {SEP }, pages = {174996}, type = {Article}, abstract = {
Nanoscaling and alloying techniques for silicon -based materials are widely recognized as vital technological approaches to effectively address the challenges associated with volume expansion and poor conductivity in silicon anodes. Developing short process, cost-effective preparation methods and shape controllable silicon -based materials is expected to improve their cyclability. Herein, utilizing the superior electrical conductivity of copper metal and its stable alloy interaction with silicon, the present study introduced a simple synthetic process by incorporating nanoscale Cu 2 O into a SiO 2 dioxide matrix under a combination of hydrothermal reaction with Cu (NO 3 ) 2 as the copper source and further sintering treatment. Under the conditions of a Cu:Si molar ratio to 3:8 under 850 degrees C by 2.6 V of constant electrolsyis for 3 h, straight silicon nanowires with a cross-sectional distribution were obtained. The Cu 3 Si alloy particles were enriched around silicon nanowires. Experimental testing was conducted to evaluate the electrochemical storage capabilities of Cu 3 Si/Si nanowires, resulting in an initial specific capacity of 2630.7 mAh g -1 and an initial coulombic efficiency of 88.94\%. After 100 charge -discharge cycles, the discharge specific capacity reached 1675.4 mAh g -1 , with a capacity retention rate of 66.20\%. This work demonstrates the effectiveness of constructing a Cu 3 Si conductive network for solving the volume expansion and conductivity problems of Si and the distinctive Cu 3 Si/Si architecture offers an exemplary model for the design of silicon -based composite anodes for advanced lithium -ion batteries.
}, keywords = {Cu3Si/Si alloy, Electrochemical storage capacity, Molten salt electrochemistry, Si nanowires}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2024.174996}, author = {Jiang, Siwei and Cheng, Jiaxu and Nayaka, G. P. and Dong, Peng and Zhang, Yingjie and Xing, Yubo and Zhang, Xiaolei and Du, Ning and Zhou, Zhongren} } @article {49233, title = {Efficient glycolysis of used PET bottles into a high-quality valuable monomer using a shape-engineered MnO nanocatalyst}, journal = {CATALYSIS SCIENCE \& TECHNOLOGY}, volume = {14}, year = {2024}, month = {SEP }, type = {Journal Article}, keywords = {Catalyst, kinetics, Nanorods, Oxidation, Oxides, POLY(ETHYLENE-TEREPHTHALATE), WASTE}, issn = {2044-4753}, doi = {10.1039/d4cy00823e}, author = {Swapna, Bhattu and Singh, Nittan and Patowary, Suranjana and Bharali, Pankaj and Madras, Giridhar and Sudarsanam, Putla} } @article {49183, title = {Efficient one-pot process for synthesis of antiviral drug Ganciclovir}, journal = {Journal of Chemical Sciences}, volume = {136}, year = {2024}, month = {SEP }, pages = {71}, type = {Article}, abstract = {
A regioselective novel one-pot synthesis of heterocyclic purine derivative antiviral agent Ganciclovir in which initially guanine is treated with acetic anhydride in the presence of iodine (5\%) to get diacetyl guanine intermediate, which undergoes in situ N-alkylation with AMDP in presence of catalytic acidic Amberlite IR-120 to get N-alkylated intermediate and finally deacetylation to get pure regioselective Ganciclovir, which is commercially viable and eco-friendly.Graphical abstractWe developed one-pot synthesis of antiviral drug Ganciclovir. Initially, Guanine is treated with acetic anhydride and iodine to yield diacetyl guanine 3. This intermediate then reacted with AMDP in the presence of acidic Amberlite IR-120 to obtain compound 5. Finally, deacetylation yields Ganciclovir 1, a commercially viable and eco-friendly process.
}, keywords = {Acidic Amberlite IR-120, acyclic nucleoside, anti-herpes, commercially viable, iodine, one-pot process, regiospecific}, issn = {0974-3626}, doi = {10.1007/s12039-024-02303-4}, author = {Sudrik, Vilas and Karpe, Dnyaneshwar and Jadhav, Vrushali and Lawande, Shamrao} } @article {48918, title = {Efficient synthesis of a monomer for bioplastic-FDCA using glucose-HTC catalyst and pinnick oxidation from HMF \& fructose}, journal = {Catalysis Letters}, volume = {154}, year = {2024}, month = {FEB}, pages = {718-724}, type = {Article}, abstract = {
An efficient solvent mediated \& use of metal-free catalyst strategy was developed for synthesis of FDCA over two steps. A simple \& economical glucose-hydrothermally carbonized (Glu-HTC) catalyst was prepared and evaluated for synthesis of 2,5-Diformyl furan (DFF) from fructose \& 5-hydroxymethylfurfural (HMF) in the 1(st) step. DFF was then converted to FDCA using Pinnick oxidation in the 2(nd) step. DFF was obtained in 82\% \& 86\% yields from fructose \& HMF respectively whereas FDCA was obtained in 94-95\% yield from DFF. FDCA was thus formed in an overall yield of 78\% and 81\% from fructose \& HMF respectively. This strategy eliminated use of expensive noble metals for FDCA synthesis and also intermediates such as HMFCA \& FFCA were not observed after the reaction as DFF was completely oxidized to FDCA.
}, keywords = {2, 5-Diformyl furan (DFF), 5-Furandicarboxylic acid, Biomass, D-fructose}, issn = {1011-372X}, doi = {10.1007/s10562-023-04308-z}, author = {Kirdant, Swapnali P. P. and Bankar, Shubham R. R. and Jadhav, Vrushali H. H.} } @article {49413, title = {Electrocatalytic and selective oxidation of glycerol to formate on 2D 3d-metal phosphate nanosheets and carbon-negative hydrogen generation}, journal = {ACS Materials Au}, volume = {4}, year = {2024}, month = {JUN}, pages = {500-511}, type = {Article}, abstract = {
In the landscape of green hydrogen production, alkaline water electrolysis is a well-established, yet not-so-cost-effective, technique due to the high overpotential requirement for the oxygen evolution reaction (OER). A low-voltage approach is proposed to overcome not only the OER challenge by favorably oxidizing abundant feedstock molecules with an earth-abundant catalyst but also to reduce the energy input required for hydrogen production. This alternative process not only generates carbon-negative green H2\ but also yields concurrent value-added products (VAPs), thereby maximizing economic advantages and transforming waste into valuable resources. The essence of this study lies in a novel electrocatalyst material. In the present study, unique and two-dimensional (2D) ultrathin nanosheet phosphates featuring first-row transition metals are synthesized by a one-step solvothermal method, and evaluated for the electrocatalytic glycerol oxidation reaction (GLYOR) in an alkaline medium and simultaneous H2\ production. Co3(PO4)2\ (CoP), Cu3(PO4)2\ (CuP), and Ni3(PO4)2\ (NiP) exhibit 2D sheet morphologies, while FePO4\ (FeP) displays an entirely different snowflake-like morphology. The 2D nanosheet morphology provides a large surface area and a high density of active sites. As a GLYOR catalyst, CoP ultrathin (\~{}5 nm) nanosheets exhibit remarkably low onset potential at 1.12 V (vs RHE), outperforming that of NiP, FeP, and CuP around 1.25 V (vs RHE). CoP displays 82\% selective formate production, indicating a superior capacity for C{\textendash}C cleavage and concurrent oxidation; this property could be utilized to valorize larger molecules. CoP also exhibits highly sustainable electrochemical stability for a continuous 200 h GLYOR operation, yielding 6.5 L of H2\ production with a 4 cm2\ electrode and 98 {\textpm} 0.5\% Faradaic efficiency. The present study advances our understanding of efficient GLYOR catalysts and underscores the potential of sustainable and economically viable green hydrogen production methodologies.
}, doi = {https://doi.org/10.1021/acsmaterialsau.4c00024}, author = {Chauhan, Inderjeet and Vijay, Pothoppurathu M. and Ranjan, Ravi and Patra, Kshirodra Kumar and Gopinath, Chinnakonda S.} } @article {49079, title = {Electrocatalytic glycerol conversion: a low-voltage pathway to efficient carbon-negative green hydrogen and value-added chemical production}, journal = {ACS Applied Materials and Interfaces }, volume = {16}, year = {2024}, month = {MAY }, pages = {26130-26141}, type = {Article}, abstract = {
Electrochemical glycerol oxidation reaction (GLYOR) could be a promising way to use the abundantly available glycerol for production of value-added chemicals and fuels. Completely avoiding the oxygen evolution reaction (OER) with GLYOR is an evolving strategy to reduce the overall cell potential and generate value-added chemicals and fuels on both the anode and cathode. We demonstrate the morphology-controlled palladium nanocrystals, afforded by colloidal chemistry, and their established morphology-dependent GLYOR performance. Although it is known that controlling the morphology of an electrocatalyst can modulate the activity and selectivity of the products, still it is a relatively underexplored area for many reactions, including GLYOR. Among nanocube (Pd-NC), truncated octahedron (Pd-TO), spherical and polycrystalline (Pd-PC) morphologies, the Pd-NC electrocatalyst deposited on a Ni foam exhibits the highest glycerol conversion (85\%) along with 42\% glyceric acid selectivity at a low applied potential of 0.6 V (vs reversible hydrogen electrode (RHE)) in 0.1 M glycerol and 1 M KOH at ambient temperature. Owing to the much favorable thermodynamics of GLYOR on the Pd-NC surface, the assembled electrolyzer requires an electricity input of only similar to 3.7 kWh/m(3) of H-2 at a current density of 100 mA/cm(2), in contrast to the requirement of \>= 5 kWh/m(3) of H-2 with an alkaline/PEM electrolyzer. Sustainability has been successfully demonstrated at 10 and 50 mA/cm(2) and up to 120 h with GLYOR in water and simulated seawater.
}, keywords = {electrocatalysis, Glycerol, green hydrogen, nanocube, Palladium, SDG}, issn = {1944-8244}, doi = {10.1021/acsami.4c02392}, author = {Chauhan, Inderjeet and Bajpai, Himanshu and Ray, Bishakha and Kolekar, Sadhu K. and Datar, Suwarna and Patra, Kshirodra Kumar and Gopinath, Chinnakonda S.} } @article {48992, title = {Electrochemical energy storage in an organic supercapacitor via a non-electrochemical proton charge assembly}, journal = {Chemical Science}, volume = {15}, year = {2024}, month = {JAN }, pages = {1726-1735}, type = {Article}, abstract = {
Contrary to conventional beliefs, we show how a functional ligand that does not exhibit any redox activity elevates the charge storage capability of an electric double layer via a proton charge assembly. Compared to an unsubstituted ligand, a non-redox active carboxy ligand demonstrated nearly a 4-fold increase in charge storage, impressive capacitive retention even at a rate of 900C, and approximately a 2-fold decrease in leakage currents with an enhancement in energy density up to approximately 70\% via a non-electrochemical route of proton charge assembly. Generalizability of these findings is presented with various non-redox active functional units that can undergo proton charge assembly in the ligand. This demonstration of non-redox active functional units enriching supercapacitive charge storage via proton charge assembly contributes to the rational design of ligands for energy storage applications.
}, issn = {2041-6520}, doi = {10.1039/d3sc05639b}, author = {Mukhopadhyay, Sanchayita and Kottaichamy, Alagar Raja and Devendrachari, Mruthyunjayachari Chattanahalli and Mendhe, Rahul Mahadeo and Kotresh, Harish Makri Nimbegondi and Vinod, Chathakudath Prabhakaran and Thotiyl, Musthafa Ottakam} } @article {49071, title = {Electrochemical property of nanosphere-like MgO electrode synthesized via SILAR in asymmetric supercapacitor}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {35}, year = {2024}, month = {FEB}, pages = {363}, type = {Article}, abstract = {
In this research article, we synthesized nanospheres of MgO thin-film substrate using the successive ionic layer adsorption and reaction (SILAR) technique on stainless steel substrates. The final optimized sample was used for physical characterization. XRD revealed the cubic structure of the MgO electrode. Additionally, it was utilized for electrochemical supercapacitive characterization, including cyclic voltammetry (CV), chronopotentiometry, and electrochemical impedance spectroscopy (EIS). Results showed that MgO nanospheres exhibited a higher specific capacitance (SC) of 536.06 F/g. The maximum values of specific energy and specific power were 30.79 Wh/kg and 1420 W/kg, respectively, at 2 mA/cm2 in 1-M KOH. The EIS plot confirmed an internal resistance (Ri) of 0.86 omega, indicating good power performance and outstanding rate capability of MgO nanospheres. This material demonstrated excellent cycling capability, retaining 91.38\% capacitance after 5000 CV cycles. The MgO//AC device displayed an SC of 210.21 F/g at 5 mV/s in a PVA-KOH solid-state electrolyte. With an energy density of 23.90 Wh/kg and a power density of 1.84 kW/kg, the asymmetric supercapacitor performance showed that the MgO-based electrode is suitable for use in actual device manufacturing. After 5000 CV cycles, the supercapacitor device exhibited exceptional capacitance retention of 92.93\%. Thus, this research successfully demonstrated the usefulness of the simple and affordable SILAR method for synthesizing pure MgO nanostructures for application in supercapacitors.
}, issn = {0957-4522}, doi = {10.1007/s10854-024-12196-1}, author = {Gaikwad, D. S. and Bobade, R. G. and Suryawanshi, V. B. and Nakate, U. T. and Shaikh, S. F. and Al-Enizi, Abdullah M. and Dabke, N. B. and Lokhande, B. J. and Ambare, Revanappa C.} } @article {49074, title = {Electrochemically enabled (3+2) cycloaddition of unbiased alkenes and β-dicarbonyls}, journal = {Chemical Communications}, volume = {60}, year = {2024}, month = {MAY }, pages = {5836-5839}, type = {Article}, abstract = {
A (3+2) cycloaddition between unbiased alkenes and 1,3-dicarbonyls is accomplished by judicious choice of electrode material and electrocatalyst to access dihydrofuran derivatives. A fluorinated porous carbon electrode with appropriate thickness governs unprecedented reactivity. This methodology eliminates the necessity for any stabilizing group within the alkene substrate. This is a rare example of the annulation of unbiased internal and terminal alkenes with cyclic and acyclic beta-dicarbonyls.
}, keywords = {1, 3-DICARBONYL COMPOUNDS, DIHYDROFURANS, FACILE SYNTHESIS}, issn = {1359-7345}, doi = {10.1039/d4cc01263a}, author = {Suryawanshi, Sharad M. and Sahoo, Suman and Shaligram, Parth S. and Manna, Narugopal and Samanta, Ramesh C.} } @article {48979, title = {Electrodeposited Co-Mn-Sn multicomponent alloy as an efficient electrocatalyst for hydrogen evolution reaction}, journal = {International Journal of Hydrogen Energy}, volume = {49}, year = {2024}, month = {JAN }, pages = {658-667}, type = {Article}, abstract = {
Despite having exciting material characteristics, the potential of multi-component alloys (MCAs) as electrocatalysts has not been fully realized. In this work, efficient binary and ternary MCA electrocatalysts containing inexpensive metals like Co, Mn and Sn have been prepared via the electrodeposition process. When tested for hydrogen evolution reaction (HER) in an alkaline medium, ternary Co-Mn-Sn alloy displayed enhanced activity with the lowest overpotential of 136 mV, a Tafel slope of 111 mV dec 1 and a very low charge transfer resistance, making it superior to the binary alloys (Co-Mn and Co-Sn), or the single metal catalysts (Co, Mn and Sn). The ternary alloy also displayed high electro-chemical and structural stability, making it a viable electrocatalyst for the hydrogen economy.(c) 2023 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
}, keywords = {Clean energy, electrocatalysis, Electrodeposition, hydrogen evolution reaction, Multi-component alloy, Non-platinum group metals}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2023.07.064}, author = {Chandran, M. Athira and Karumuthil, Subash Cherumannil and Singh, Ashutosh K. and Prasad, Bhagavatula L. V.} } @article {49224, title = {Electrostatics choreographs the aggregation dynamics of full-length TDP-43 via a monomeric amyloid precursor}, journal = {Biochemistry}, volume = {63}, year = {2024}, month = {MAY}, pages = {1553-1568}, type = {Article}, abstract = {
TDP-43 is a ubiquitously expressed, multidomain functional protein that is distinctively known to form aggregates in many fatal neurodegenerative disorders. However, the information for arresting TDP-43 aggregation is missing due to a lack of understanding of the molecular mechanism of the aggregation and structural properties of TDP-43. TDP-43 is inherently prone to aggregation and has minimal protein solubility. Multiple studies have been performed on the smaller parts of TDP-43 or the full-length protein attached to a large solubilization tag. However, the presence of co-solutes or solubilization tags is observed to interfere with the molecular properties and aggregation mechanism of full-length TDP-43. Notably, this study populated and characterized the native, dimeric state of TDP-43 without the interference of co-solutes or protein modifications. We observed that the electrostatics of the local environment is capable of the partial unfolding and monomerization of the native dimeric state of TDP-43 into an amyloidogenic molten globule. By employing the tools of thermodynamics and kinetics, we reveal the structural characteristics and temporal order of the early intermediates and transition states during the transition of the molten globule to beta-rich, amyloid-like aggregates of TDP-43, which is governed by the electrostatics of the environment. The current advanced understanding of the nature of native and early aggregation-prone intermediates, early steps, and the influence of electrostatics in TDP-43 aggregation is essential for drug design.
}, issn = {0006-2960}, doi = {10.1021/acs.biochem.4c00060}, author = {Doke, Abhilasha A. and Jha, Santosh Kumar} } @article {49338, title = {Engineered PLGA core-lipid shell hybrid nanocarriers improve the efficacy and safety of irinotecan to combat colon cancer}, journal = {ACS BIOMATERIALS SCIENCE \& ENGINEERING}, volume = {10}, year = {2024}, month = {SEP}, pages = {6661-6676}, type = {Journal Article}, keywords = {BULK-POLYMERIZATION, Drug-delivery, LIPOSOMAL DOXORUBICIN}, issn = {2373-9878}, doi = {10.1021/acsbiomaterials.4c01260}, author = {Giram, Prabhanjan S. and Nimma, Ramakrishna and Bulbule, Anuradha and Yadav, Amit Singh and Gorain, Mahadeo and Radharani, Nalukurthi Naga Venkata and Kundu, Gopal C. and Garnaik, Baijayantimala} } @article {49189, title = {Engineering inhibitory repeat domains of Pin-II type proteinase inhibitors indicate their high structural-functional tolerance to mutagenesis}, journal = {Biochemical and Biophysical Research Communications}, volume = {735}, year = {2024}, month = {NOV }, pages = {150808}, type = {Article}, abstract = {
Plant proteinase inhibitors (PIs) are critical in defending against biotic stress. Most PIs contain an inhibitory repeat domain (IRD), which serves as the functional component, displaying a high degree of sequence and structural conservation. In this study, we examined the structural and functional resilience of IRDs using a combination of computational modeling and experimental validation. We have taken an evolution-based approach to enhance the PIs effectiveness of two previously identified Capsicum annuum IRDs, IRD4 and IRD10. Through in silico site-saturation mutagenesis of IRD4 and IRD10, we identified key sites associated with enhanced PI activity for targeted mutagenesis. Binding energy predictions for a mutant IRD library, tested against target proteases, suggested that positions R11 and N32 in IRD4 and N32 and H33 in IRD10 were promising candidates for further modification to improve inhibitory potential. Subsequent experimental validation revealed that the mutant proteins IRD4_R11K and IRD4_N32S exhibited stronger chymotrypsin inhibition than the wild-type (WT) IRD4. Similarly, the mutants IRD10_N32S and IRD10_H33 N demonstrated improved trypsin inhibition relative to the WT IRD10. These findings indicate that engineered IRD variants can tolerate structural changes while maintaining or enhancing their inhibitory activity against target proteases. Overall, this study demonstrates the potential of engineering PIs to increase their structural and functional resilience, offering new opportunities for biotechnological applications.
}, keywords = {Capsicum annum, Inhibitory repeat domain, molecular modeling, plant proteinase inhibitors, Proteases, Saturation mutagenesis}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2024.150808}, author = {Barbole, Ranjit S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {49121, title = {Enhanced catalytic conversion of disaccharides to propylene glycol using metal-supported graphitic carbon nitride}, journal = {Energy and Fuels}, volume = {38}, year = {2024}, month = {MAR }, pages = {7005-7017}, type = {Article}, abstract = {
Propylene glycol (or) 1,2-propanediol (1,2-PD) is an important polyol widely used for pharmaceuticals, polyester resins, paints, cosmetics, antifreeze, etc. Sucrose has emerged as a promising feedstock to produce 1,2-PD, as indicated by recent research findings. Graphitic carbon nitride (g-C3N4/gCN) was synthesized by using different crucibles. Ni-Mo was loaded on different g-C3N4 supports via the wetness impregnation method for sucrose hydrogenolysis. Effects of different g-C3N4 supports were studied. Catalysts with varying Ni (x = 0-8 wt \%) and Mo (y = 0-15 wt \%) contents were characterized using XRD, BET, XPS, FE-SEM, Py-FTIR, HR-TEM, TPD (CO2)and Raman spectroscopy. An attempt was made on sucrose conversion into 1,2-PD using a Ni-Mo/g-C3N4 catalyst. The catalyst containing 8\% Ni and 10\% Mo on Gr-gCN exhibited the best performance, achieving complete sucrose conversion with a 76\% yield of 1,2-PD under mild reaction conditions. The presence of highly dispersed nanoparticles and the nature of graphitic carbon nitride help improve the reactions{\textquoteright} yield by allowing reactions at lower temperatures, reducing the occurrence of side reactions, and increasing recycling rates. A straightforward approach to material preparation, coupled with the exceptional dispersion of metal nanoparticles, paves the way for a novel platform for biomass conversion.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.3c05087}, author = {Kirali, Arun Arunima Balachandran and Narayanan, Hariprasad and Viswanathan, Balasubramanian and Yadav, Parmeshwar and Marimuthu, Banu} } @article {49375, title = {Enhanced degradation of ciprofloxacin hydrochloride using hybrid advanced oxidation process of hydrodynamic cavitation and ozonation}, journal = {Chemical Engineering \& Technology}, volume = {47}, year = {2024}, month = {OCT}, type = {Article}, abstract = {
The degradation of ciprofloxacin hydrochloride (CFX), an extensively utilized antibiotic for bacterial infections, has been studied through the application of advanced oxidation processes (AOPs) including hydrodynamic cavitation (HC), ozonation (O3), the Fenton reaction, chemical oxidation, and hybrid AOPs such as HC/O3 and Fenton/O3. Among these, the hybrid combination of HC/O3 demonstrated the highest CFX degradation of 99.82 \% within 180 min having an initial concentration of 1000 ppm. The optimization of the HC/O3 process was conducted by varying parameters including initial concentration, pH, ozone (O3) gas flowrate, and temperature. Throughout the degradation process, CFX underwent intermediate formation, which gradually degraded over time. The hydrodynamic cavitation (HC) in combination with ozone, referred to as the HC/ozonation process, was used for the degradation of ciprofloxacin hydrochloride present in wastewater. This process underwent optimization with respect to various reaction parameters, including the initial concentration, ozone flow rate, pH level, temperature, the influence of ions, and the specific water matrix. At these optimized conditions a degradation efficiency of 99.82 \% was achieved after 180 min. image
}, keywords = {active pharmaceutical ingredients, Advance Oxidation Processes, Ciprofloxacin hydrochloride, Hybrid AOPs, Hydrodynamic cavitation}, issn = {0930-7516}, doi = {10.1002/ceat.202300469}, author = {Bodawar, Narendra and Shetty, Rohit and Kamble, Sanjay and Kulkarni, Prashant} } @article {49407, title = {Enhanced disinfection efficiency using Cu vortex diode for providing safe drinking water: devising newer methodologies}, journal = {Environmental Quality Management}, volume = {34}, year = {2024}, month = {JUL}, abstract = {
The present research aims to refine the hydrodynamic cavitation technique with traditional knowledgebase of Ayurveda for more efficient water disinfection and that has huge potential for implementation in real life, especially for substituting the existing chlorination method for drinking water treatment. The study incorporates use of newer copper reactor configuration, employing vortex flow for generating cavitation for the disinfection of water. Elimination of model contaminant,\ Escherichia coli, with initial concentration of \~{}105\ CFU/mL of bacteria was used for the disinfection study. Copper vortex diode with a capacity of 1\ m3/h was employed as a cavitating device. The cavitation using copper vortex diode gave significantly higher disinfection, over 30\%, compared that with conventional vortex diode, with aluminum as material of construction, under similar conditions. Remarkably, the addition of 0.1\% betel leaf oil led to an extraordinary 260-fold increase in the rate of disinfection, requiring only a single pass to achieve complete bacteria elimination. Furthermore, a notably high synergistic index of 246.96 was achieved for the process intensification approach using the Cu vortex diode. The cost was substantially reduced by approximately three times to 0.011\ $/m3\ using the Cu vortex diode compared to the conventional vortex diode. The developed strategy offers significantly enhanced performance, as well as a techno-economical and sustainable solution for drinking water treatment to ensure the provision of safe drinking water. Moreover, the newer methodology can have the advantage of producing no harmful carcinogenic disinfection by-products compared to chemical disinfection processes apart from sustainable alternative to chlorination.
}, doi = {https://doi.org/10.1002/tqem.22279}, author = {Dixit, Divya and Balapure, Kshama and Bhandari, Vinay M.} } @article {48956, title = {Enhancing the Catalytic Activity of Pd Nanocrystals towards Suzuki Cross-Coupling by g-C3N4 Photosensitization}, journal = {Chemnanomat}, volume = {10}, year = {2024}, month = {JAN}, type = {Journal Article}, abstract = {
Developing renewable means of activating molecules over traditional catalysts for C-C bond formation is desirable for industrial applications. Herein, we report a strategy to improve the efficiency of Pd nanoparticles (NPs) for the Suzuki cross-coupling reactions by visible-light irradiation using g-C3N4 nanosheets (NSs) as photosensitizer. Pd NPs mounted on g-C3N4 become electron-rich under visible-light due to generation of excited electrons in g-C3N4 and thereby accelerate the rate-determining step. Remarkable photocatalytic activity was accomplished utilizing Pd/g-C3N4 for the Suzuki cross-coupling reaction in environmentally benign aqueous settings under room temperature conditions. The activity remarkably improves (similar to 2.5 times) upon light irradiation, yielding one of the highest known turnover frequencies (TOF) of 1858 h(-1) and confirming the photosensitizer role of g-C3N4. The TOF for coupling of aryl bromides is also significantly high (similar to 356 h(-1)). We establish that the low-energy/long-lived excitons preferencially transfer to Pd, paving a way for rational designing photocatalysts for various C-C coupling reactions.
}, keywords = {2D graphitic carbon nitride, C-C cross-coupling, exciton transfer, heterogeneous photocatalyst, Photosensitization}, issn = {2199-692X}, doi = {10.1002/cnma.202300451}, author = {Mondal, Sanjit and Sahoo, Lipipuspa and Banoo, Maqsuma and Vaishnav, Yuvraj and Prabhakaran Vinod, Chathakudath and Gautam, Ujjal} } @article {49094, title = {Enhancing the crystallization kinetics and mechanical properties of poly(lactic acid) blends for 3D printing application}, journal = {ACS Applied Polymer Materials }, volume = {6}, year = {2024}, month = {MAY }, pages = {5754-5762}, type = {Article}, abstract = {
3D printing of poly(lactic acid) (PLA) blends has been attempted to resolve issues such as inherent brittleness and slow crystallization rate of PLA. However, a persistent challenge remains in the form of phase separation or gradual migration of the blended soft polymer or plasticizers. To simultaneously enhance the miscibility of the blends and toughness of 3D-printed parts, a triblock copolymer PLA-PEG-PLA was synthesized and blended with PLA in varying proportions (5, 10, 15, and 20 wt \%). Blending only 10-20 wt \% low molecular weight PLA-PEG-PLA into PLA yielded a miscible blend that showed a 45-fold increase in elongation at break and a 23-fold enhancement in toughness over neat PLA. Scanning electron microscopy (SEM) images of fractured cross sections revealed a brittle to ductile transition in 3D-printed PLA/PLA-PEG-PLA samples. Isothermal crystallization studies and data analysis using the Avrami equation showed an enhancement in the crystal growth rate and overall rate of crystallization. The blends achieved half of their crystallinity in approximately 3 min, a significant improvement over the 9 min required by PLA alone. This underscores the efficiency of our approach. This was also evident in the spherulite growth of 3D-printed PLA and mPLA blends when examined using polarized optical microscopy (POM). To the best of our knowledge, this is the first report exploring the use of blends that include PLA and low molecular weight PLA-PEG-PLA triblock copolymers for 3D printing applications.
}, keywords = {Crystallization, FFF 3D printing, PLA-PEG-PLA triblock copolymer, poly(lacticacid), toughness}, issn = {2637-6105}, doi = {10.1021/acsapm.4c00428}, author = {Kothavade, Premkumar and Yadav, Prashant and Gopal, Animesh and Pol, Harshawardhan and Kafi, Abdullah and Bateman, Stuart and Shanmuganathan, Kadhiravan} } @article {49266, title = {Entropy-driven reversible melting and recrystallization of layered hybrid perovskites}, journal = {SMALL}, volume = {20}, year = {2024}, month = {NOV}, type = {Journal Article}, keywords = {hybrid perovskites, photodetector, reversible melting}, issn = {1613-6810}, doi = {10.1002/smll.202406735}, author = {Rajput, Parikshit Kumar and Salunkhe, Parashurama and Sarma, Manmayuri and Basu, Meghasree and Gopal, Animesh and Joshi, Aprajita and Shingote, Ajinkya Sundarnath and Saha, Surajit and Rahman, Atikur and Nag, Angshuman} } @article {49182, title = {Environment friendly synthesis of reduced graphene oxide from spent lithium-ion battery graphite and its nanocomposite with MoO3 nanorods for photocatalytic hydrogen evolution}, journal = {Energy \& Fuels}, volume = {38}, year = {2024}, month = {NOV }, pages = {22376-22392}, type = {Article}, abstract = {
Photocatalytic water splitting from solar H2 generation systems is of great interest as a sustainable fuel and an environmentally benign approach. A photocatalyst should be cost-efficient and highly productive to obtain a green H2 fuel. Thus, photocatalytic water splitting is significant for real-world applications. In the present work, we have successfully synthesized MoO3@rGO nanocomposite material with heterojunction as a stable and high-performance photocatalyst for the H2 evolution reaction in deionized (DI) water and natural seawater. First, MoO3 was prepared through a low-temperature hydrothermal method and composites with graphene oxide (GO) and reduced graphene oxide (rGO) precursors, followed by ultrasonication. rGO was obtained from GO, which is obtained from the spent graphite (anode material) by the modified Hummer{\textquoteright}s method. The rGO powder was reduced by an ascorbic acid-reducing agent under microwave irradiation using GO. The nanocomposite materials were characterized using XRD, Raman spectra, XPS, photoluminescence, FE-SEM, HR-TEM, and BET. The photocatalytic water splitting ability of MoO3@rGO was measured under visible light (lambda \>= 420 nm) irradiation with the TEOA sacrificial reagent. The H2 generation rate in DI water and natural seawater was found to be 2183.41 and 2294.26 mu mol g-1 h-1, with an apparent quantum efficiency (AQE) of 5.72 and 5.98\%, respectively. Such a high rate of H2 generated is ascribed to the novel surface contact between MoO3 and the rGO sheet as evident from HR-TEM images, wherein the rGO sheet is seen wrapped around MoO3. Consequently, the synergistic effect between MoO3 and rGO sheets is expected without the use of any other cocatalysts. Thus, electron-hole recombination is significantly minimized during the water reduction reaction. We believe that the MoO3@rGO nanocomposite is a potential photocatalyst for energy production.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.4c03975}, author = {Kangutkar, Raju S. and Walko, Priyanka and Athira, K. and Manjanna, J. and Devi, R. Nandini} } @article {49377, title = {Establishing a new efficiency descriptor for methanol oxidation reaction and its validation with commercially available Pt-based catalysts}, journal = {Fuel Cells}, volume = {24}, year = {2024}, month = {JUN}, type = {Article}, abstract = {
Direct methanol fuel cells (DMFCs) have received a lot of attention in recent years as promising technology for generating clean and efficient energy. In DMFC, the anode catalyst is a vital component because it is involved in the oxidation of methanol, which produces electrons that can be used as an energy source. Cyclic voltammetry (CV) is commonly used to test the characteristics of the electrode materials before they are employed in the actual fuel cell. Interestingly in the case of DMFCs CV also is a useful technique to obtain vital information about the performance and expected efficiency of the electrodes. In general, the CV of methanol electrooxidation for Pt-based catalysts has two peaks, If in the forward scan (anodic scan) and Ib in the backward scan (cathodic scan). The ratio of these two peaks (If/Ib) is the most commonly used criterion for investigating CO poisoning in catalysts. However, there is a great deal of ambiguity surrounding this criterion, owing to the genesis of Ib. Addressing this we present here a new criterion to evaluate the efficiency of the catalyst using the same CV technique. We validate this newly proposed criterion with commercial Pt/C (comm. Pt/C) and other commercially available alloy catalysts.
}, keywords = {catalyst poisoning, CO tolerance, direct methanol fuel cells, electrocatalysis, Methanol oxidation reaction}, issn = {1615-6846}, doi = {10.1002/fuce.202300199}, author = {Deshpande, Pooja S. and Radhakrishnan, Thulasi and Prasad, Bhagavatula L. V.} } @article {49267, title = {The ex situ exsolved exsolved Ni-Ru alloy from nickel-ruthenium co-doped SrFeO perovskite as a potential catalyst for C=C and C=O hydrogenation}, journal = {SUSTAINABLE ENERGY \& FUELS}, volume = {8}, year = {2024}, month = {JUN }, type = {Journal Article}, keywords = {LIQUID-PHASE HYDROGENATION, OXIDE FUEL-CELLS}, issn = {2398-4902}, doi = {10.1039/d4se00170b}, author = {Bhavisha, Meloth and Balamurugan, Sarkarainadar and Gopinath, Chinnakonda S. and Sakthivel, Ayyamperumal} } @article {49014, title = {Experimental and kinetic modelling studies for the design of fixed bed methanol reactor over CuZA catalyst}, journal = {Chemical Engineering Research Design }, volume = {205}, year = {2024}, month = {MAY}, pages = {79-90}, type = {Article}, abstract = {
Direct conversion of CO 2 via hydrogenation to value-added chemicals is a vital approach for utilising CO 2 emitted into the atmosphere. In this paper, a critical analysis of reaction kinetic modelling studies is explored in a fixed bed reactor to improve methanol yield for different H 2 to CO 2 ratios by simulating a lab-scale reactor for adiabatic and isothermal conditions. The feed inlet temperature and pressure variations are applied to study the effect of both configurations on methanol production. The results show that the isothermal configuration yields 2.76\% more methanol yield compared to the adiabatic reactor. The effect of H 2 to CO 2 molar ratios of 3, 6 and 9 on the performance of the catalyst and the influence of CO and CO 2 hydrogenation is investigated with model simulations. The overall methanol yield is increased from 19.03\% to 36.41\% with increase in H 2 to CO 2 molar ratio from 3 to 9. Experiments are performed using commercial copper-based catalyst for different temperatures of 210, 230 and 250 degrees C at a pressure of 40 bar for H 2 /CO 2 of 3 and GHSV of 720 h -1 as well as at optimal temperature of 250 degrees C and 50 bar with varying H 2 /CO 2 of 3, 6, 9 for 3 g and 6 g catalyst. The maximum methanol yield of 2.53\% and space time yield of 13.59 mg/g cat .h is obtained at H 2 /CO 2 ratio of 9.
}, keywords = {CO2 conversion, CuZA catalyst, H2 toCO2 molar ratio, Kinetic modelling, Methanol}, issn = {0263-8762}, doi = {10.1016/j.cherd.2024.03.032}, author = {Bagwan, Farahanaz M. and Dongapure, Pavan and Kulkarni, Amol A. and Vasireddy, Satyam Naidu} } @article {49605, title = {An explainable AI-assisted web application in cancer drug value prediction}, journal = {MethodsX}, volume = {12}, year = {2024}, month = {JUN}, pages = {102696}, type = {Article}, abstract = {
In recent years, there has been an increase in the interest in adopting Explainable Artificial Intelligence (XAI) for healthcare. The proposed system includes

{\textbullet}
An XAI model for cancer drug value prediction. The model provides data that is easy to understand and explain, which is critical for medical decision-making. It also produces accurate projections.

{\textbullet}
A model outperformed existing models due to extensive training and evaluation on a large cancer medication chemical compounds dataset.

{\textbullet}
Insights into the causation and correlation between the dependent and independent actors in the chemical composition of the cancer cell.

While the model is evaluated on Lung Cancer data, the architecture offered in the proposed solution is cancer agnostic. It may be scaled out to other cancer cell data if the properties are similar. The work presents a viable route for customizing treatments and improving patient outcomes in oncology by combining XAI with a large dataset. This research attempts to create a framework where a user can upload a test case and receive forecasts with explanations, all in a portable PDF report.
}, doi = {https://doi.org/10.1016/j.mex.2024.102696}, author = {Kothari, Sonali and Sharma, Shivanandana and Shejwal, Sanskruti and Kazi, Aqsa and D{\textquoteright}Silva, Michela and Karthikeyan, M.} } @article {49423, title = {Explainable AI-assisted web application in cancer drug value prediction}, journal = {MethodsX}, volume = {12}, year = {2024}, month = {JUN}, type = {Article}, abstract = {
In recent years, there has been an increase in the interest in adopting Explainable Artificial Intelligence (XAI) for healthcare. The proposed system includes

{\textbullet}
An XAI model for cancer drug value prediction. The model provides data that is easy to understand and explain, which is critical for medical decision-making. It also produces accurate projections.

{\textbullet}
A model outperformed existing models due to extensive training and evaluation on a large cancer medication chemical compounds dataset.

{\textbullet}
Insights into the causation and correlation between the dependent and independent actors in the chemical composition of the cancer cell.

While the model is evaluated on Lung Cancer data, the architecture offered in the proposed solution is cancer agnostic. It may be scaled out to other cancer cell data if the properties are similar. The work presents a viable route for customizing treatments and improving patient outcomes in oncology by combining XAI with a large dataset. This research attempts to create a framework where a user can upload a test case and receive forecasts with explanations, all in a portable PDF report.
}, author = {Kothari, Sonali and Sharma, Shivanandana and Shejwal, Sanskruti and Kazi, Aqsa and D{\textquoteright}Silva, Michela and Karthikeyan, M.} } @article {49240, title = {Exploring defect-engineered metal-organic frameworks with 1,2,4-triazolyl isophthalate and benzoate linkers}, journal = {INORGANIC CHEMISTRY}, volume = {63}, year = {2024}, month = {MAY }, pages = {10843-10853}, type = {Journal Article}, keywords = {Separation, spectroscopy, TRIAZOLYL}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.4c01589}, author = {Chetry, Sibo and Lukman, Muhammad Fernadi and Bon, Volodymyr and Warias, Rico and Fuhrmann, Daniel and Moellmer, Jens and Belder, Detlev and Gopinath, Chinnakonda S. and Kaskel, Stefan and Poeppl, Andreas and Krautscheid, Harald} } @article {49376, title = {Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID}, journal = {CrystEngComm}, volume = {27}, year = {2024}, month = {DEC}, pages = {138-145}, type = {Article}, abstract = {
Milrinone is a bipyridine phosphodiesterase (PDE) inhibitor of the second generation. It{\textquoteright}s a PDE-III antagonist that raises cAMP levels to support heart function and acts as a systemic vasodilator in chronic decongested cardiovascular illness. It is categorised as class II in the Biopharmaceutics Classification System (BCS), indicating that it exhibits poor aqueous solubility and high permeability. Three new cocrystals of the cardioprotective drug milrinone (MR) with two nutraceuticals, e.g. sesamol (SES) and resveratrol (RES), and an anti-inflammatory drug, e.g. niflumic acid (NIF), were successfully synthesised using mechanochemical and solution crystallisation techniques. Thermal analysis (DSC and TGA) and diffraction tools (PXRD and SCXRD) were used to obtain structural insights into all the cocrystals. Their crystal structures indicate that the dimeric interactions in MR are preserved in the crystal structures in addition to carboxylic acid/phenol \& ctdot;pyridine heterosynthons. Among the three synthesized molecular solids, MR.SES was more soluble than the native drug. The solubility of the cocrystals was correlated with polar surface contacts, the solubility of the coformer and melting points (inversely). We believe that the new MR.SES cocrystal offers a novel approach to enhance the drug{\textquoteright}s solubility, which may have a positive impact on its synergistic cardioprotective effects.
}, doi = {10.1039/d4ce00990h}, author = {Kenguva, Gowtham and Rekha Rout, Smruti and Shaikh, Tabrez R. and Baidya, Debjani and Shelke, Nikita and Sanphui, Palash and Dandela, Rambabu} } @article {49035, title = {Exploring the catalytic potential of Mg-Cu alloys for enhanced activity toward CO2 hydrogenation}, journal = {Molecular Catalysis }, volume = {556}, year = {2024}, month = {MAR }, type = {Article}, abstract = {
CO2, a well-known greenhouse gas, is a potential raw material that can produce various chemicals. Dissociation of CO2 to CO or hydrogenation to formate (HCOO*) or carboxyl (COOH*) intermediate is crucial in determining the reaction pathway for CO2 conversion. In this work, we demonstrate that alloys of Mg-Cu exhibit greater activity toward activation and hydrogenation of CO2 than transition metal alloys reported so far. Two different compositions of Mg-Cu, namely Mg2Cu and MgCu2, have been studied using periodic Density Functional Theory (DFT). Our investigations reveal that CO2 chemisorbs on both intermetallic alloys. Coadsorption of CO2 with H2O leads to the spontaneous formation of COOH* over Mg2Cu(224), whereas a negligible barrier (0.04 eV) is observed for MgCu2(311). HCOO* formation has a barrier of 0.34 eV and 0.42 eV on Mg2Cu(224) and MgCu2(311), respectively. Dissociation of CO2 to CO is kinetically unfavourable on both compositions of Mg-Cu. We provide a rationale for the observed activity by analyzing the electronic structure. Notably, the spontaneous hydrogenation of CO2 makes earth -abundant metals suitable candidates for alloying that await experimental verification.
}, keywords = {CO2 hydrogenation, DFT, Mg2Cu, MgCu2}, issn = {2468-8231}, doi = {10.1016/j.mcat.2024.113839}, author = {Thakkar, Kavita and Joshi, Kavita} } @article {49282, title = {Exploring the CeO2 support morphology for the carbon dioxide hydrogenation reaction using nickel catalysts}, journal = {Journal of Physical Chemistry C}, volume = {128}, year = {2024}, month = {OCT}, pages = {18782-18792}, type = {Article}, abstract = {
The catalytic activity and stability are examined for the hydrogenation of carbon dioxide under atmospheric pressure over 2 wt \% Ni/CeO2 nanorods (2Ni-CeNRs), nanocubes (2Ni-CeNCs), and nanopolyhedra (2Ni-CeNPs). The 2Ni-CeNR catalysts display excellent catalytic activity and higher stability compared with 2Ni-CeNC and 2Ni-CeNP catalysts. A comprehensive understanding of the surface atomic and electronic structure versus activity has been derived using high-resolution electron microscopy and spectroscopy techniques. High metal dispersion, strong metal-support interaction (SMSI) effect and abundant oxygen vacancies are deduced to play a crucial role in determining the catalytic activity and selectivity of the CO2 hydrogenation reaction.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.4c05258}, author = {Gupta, Sharad and Jagtap, Anuradha and Vinod, C. P.} } @article {49278, title = {Exploring the soft pinning effect in the dynamics and the structure-dynamics correlation in multicomponent supercooled liquids}, journal = {Journal of Chemical Physics}, volume = {161}, year = {2024}, month = {OCT}, pages = {154501}, type = {Article}, abstract = {
We study multicomponent liquids by increasing the mass of 15\% of the particles in a binary Kob-Andersen model. We find that the heavy particles have dual effects on the lighter particles. At higher temperatures, there is a significant decoupling of the dynamics between heavier and lighter particles, with the former resembling a pinned particle to the latter. The dynamics of the lighter particles slow down due to the excluded volume around the nearly immobile heavier particles. Conversely, at lower temperatures, there is a coupling between the dynamics of the heavier and lighter particles. The heavier particles{\textquoteright} mass slows down the dynamics of both types of particles. This makes the soft pinning effect of the heavy particles questionable in this regime. We demonstrate that as the mass of the heavy particles increases, the coupling of the dynamics between the lighter and heavier particles weakens. Consequently, the heavier the mass of the heavy particles, the more effectively they act as soft pinning centers in both high and low-temperature regimes. A key finding is that akin to the pinned system, the self-dynamics and collective dynamics of the lighter particles decouple from each other as the mass of the heavy particles has a more pronounced impact on the latter. We analyze the structure-dynamics correlation by considering the system under the binary and modified quaternary framework, the latter describing the pinned system. Our findings indicate that whenever the heavy mass particles function as soft pinning centers, the modified quaternary framework predicts a higher correlation.
}, issn = {0021-9606}, doi = {10.1063/5.0230932}, author = {Anwar, Ehtesham and Patel, Palak and Sharma, Mohit and Bhattacharyya, Sarika Maitra} } @article {49235, title = {Exploring the synthesis, characterization, electrical, and magnetic behavior of crystalline Ni1-xZnxFe2O4 nanoparticles}, journal = {JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS}, volume = {35}, year = {2024}, month = {SEP}, pages = {1714}, type = {Journal Article}, keywords = {CO, DC RESISTIVITY, DIELECTRIC-PROPERTIES, FERRITE NANOPARTICLES, Ni, Substitution, ZN}, issn = {0957-4522}, doi = {10.1007/s10854-024-13448-w}, author = {Adsure, Kiran T. and Jagtap, Sumant B. and Newaskar, Shivkumar R. and Kore, Kiran B. and Funde, Adinath M. and Patange, Sunil M. and Late, Dattatray J.} } @article {49372, title = {Exploring thermocatalytic pyrolysis to derive sustainable chemical intermediates from plastic waste; role of temperature, catalyst, and reactor conditions}, journal = {Journal of the Indian Institute of Science}, volume = {104}, year = {2024}, month = {APR}, pages = {383-394}, type = {Review}, abstract = {
Plastic waste is a growing concern globally on account of the increasing use of plastic worldwide, compounded by single-use applications, poor waste collection and management practices, and its consequent leakage into the environment. In addition, plastics are derived from non-renewable fossil resources, and their growing demand is also partly responsible for greenhouse gas emissions and climate change. The aim of this paper is to explore the potential of plastic waste as a material resource, and thermocatalytic pyrolysis as a recycling process, to produce aliphatic and aromatic hydrocarbons, which are important chemical intermediates for various industries. We show that plastic pyrolysis can achieve a high yield of liquid hydrocarbons (similar to 80\%) with a suitable distribution of aliphatic and aromatic compounds, by using different pyrolysis conditions and a catalyst. Specifically, this paper demonstrates the possibility of deriving two key classes of hydrocarbons, i.e., aliphatic (C10-C20 hydrocarbons) and aromatic hydrocarbons (xylene, toluene and benzene derivatives) with a yield of similar to 80\% liquid hydrocarbons via catalytic pyrolysis. We also briefly discuss the challenges and opportunities, and the environmental and economic implications.
}, issn = {0970-4140}, doi = {10.1007/s41745-024-00447-3}, author = {Venkataraghavan, R. and Bhure, Arvind and Khan, Tufeil Sartaj and Shikare, Dipak and Devi, R. Nandini and Dhepe, Paresh Laxmikant} } @article {49021, title = {Exploring unconventional σ-hole interactions: computational insights into the interaction of XeO3 with non-aromatic coordinating solvents}, journal = {Chemphyschem}, volume = {25}, year = {2024}, month = {MAR}, type = {Article}, abstract = {
In order to control the explosiveness and shock sensitivity of XeO3, we have investigated its plausible interaction with various non-aromatic coordinating solvents, serving as potential Lewis base donors, through density functional theory (DFT) calculations. Out of twenty six such solvents, the top ten were thus identified and then thoroughly examined by employing various computational tools such as the mapping of the electrostatic potential surface (MESP), Wiberg bond indices (WBIs), non-covalent interaction (NCI) plots, Bader{\textquoteright}s theory of atoms-in-molecules (AIM), natural bond orbital (NBO) analysis, and the energy decomposition analysis (EDA). The amphoteric nature of XeO3 was also explored by investigating the extent of back donation from the lone pair of Xe to the antibonding orbital of the donating atom/group of the solvent molecules. The C-H \& mldr;O interactions were also found to be a contributing factor in the stabilization of these adducts. Although these aerogen-bonding interactions were found to be predominantly electrostatic, significant contributions from the orbital contributions, as well as dispersion interactions, were observed. The top three non-aromatic solvents (among the twenty six studied) which form the strongest adducts with XeO3 are proposed to be hexamethylphosphoramide (HMPA), N,N {\textquoteleft}-dimethylpropyleneurea (DMPU) and tetramethylethylenediamine (TMEDA).
}, keywords = {Aerogen bonding, Non-Aromatic Solvents, non-covalent interactions, Sigma-hole, XeO3}, issn = {1439-4235}, doi = {10.1002/cphc.202300908}, author = {Dash, Soumya Ranjan and Vanka, Kumar} } @article {49064, title = {Extraction, characterization, and life cycle assessment of nanosilica from millet husk: sustainable alternative with low environmental impact}, journal = {Journal of Cleaner Production }, volume = {442}, year = {2024}, month = {FEB}, pages = {140924}, type = {Article}, abstract = {
Eco-friendly approaches for silica production are highly researched to respond increasing industrial demand for bio-nanofillers. Herein, nanosilica of 10-20 nm with mesoporosity was obtained through a mild oxalic acid pre-treatment of millet husk, followed by calcination at 700 degrees C for 2 h. Compared with commercial precipitated silica (CS) and millet husk ash (MHA) directly obtained by calcination of the husk, the pre-treated silica (MHS) had higher purity, revealed using EDX spectroscopy. Moreover, FTIR and Si-29 NMR showed a higher condensation degree in MHS with 73\% of Q4 siloxane bonds vs 4\% in MHA. The release of the metal and organic impurities from the husk also allows to reduce the crystallinity of MHS, and to increase the specific surface area from 82 m(2)/g in MHA to 238 m(2)/g in MHS. The type II N-2 adsorption-desorption isotherms of MHA and MHS indicate aggregates of non-porous silica particles. MHS also demonstrated remarkable thermal resilience. According to the LCA analysis, MHS has a 40\% lower impact on global warming, a 38\% lower impact on human carcinogenic toxicity, and a 38\% lower impact on terrestrial acidification compared to rice husk nanosilica. This research thus addresses sustainability challenges by repurposing millet husks, which are readily available due to continuous millet cultivation, particularly in India. By reducing the ecological impact of husk disposal through burning, this study offers an economically viable technology for high-purity silica production, aligning with global efforts to combat climate change and promote sustainable practices.
}, keywords = {Life cycle assessment, Millet husk, Nanosilica, Oxalic acid}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2024.140924}, author = {Dominic, C. D. Midhun and Rosa, Derval dos Santos and Barbosa, Rennan Felix da Silva and Anagha, O. V. and Neenu, K. V. and Begum, P. M. Sabura and Kumar, V. Aswathy and Parameswaranpillai, Jyotishkumar and Siriwong, Chomsri and Ajithkumar, T. G. and Shelke, Ankita and Pasc, Andreea} } @article {49327, title = {Extrusion 3D printing of intrinsically fluorescent thermoplastic polyimide: revealing an undisclosed potential}, journal = {POLYMERS}, volume = {16}, year = {2024}, month = {OCT}, type = {Journal Article}, keywords = {Additive manufacturing, functional extrusion, high-performance polymers, thermoplastic polyimide}, doi = {10.3390/polym16192798}, author = {Kothavade, Premkumar and Kafi, Abdullah and Dekiwadia, Chaitali and Kumar, Viksit and Sukumaran, Santhosh Babu and Shanmuganathan, Kadhiravan and Bateman, Stuart} } @article {49433, title = {Fabrication and evaluation of a spatially resolved fiber-optic probe for diffuse reflectance measurement for noninvasive diabetic foot ulcer diagnosis perspective}, journal = {Optical Engineering}, volume = {63}, year = {2024}, month = {APR }, pages = {044103}, type = {Article}, abstract = {
Timely diagnosis and monitoring of wound progression or healing are key to improving the long-term outcome of diabetic foot ulcers (DFU). Diffuse reflectance spectroscopy (DRS) has the potential to noninvasively diagnose the DFU in real time, as it detects changes in local blood volume fraction and oxygenation state level that occur when tissue becomes diseased or ulcerated. Since foot soles have a thicker epidermis and deeper blood vessels/capillaries than other parts of the body, a spatially resolved fiber-optic probe (SRFP) is needed to detect the optimal spatially resolved diffuse reflectance (SRDR) signal from the local site of the ulcer for DFU diagnosis. Therefore, herein, an SRFP consisting of a linear array of seven 400-mu m fibers with detector-source (D-S) fiber separation (rho) ranging from 0.8 to 4.8 mm was designed, fabricated, tested, and evaluated for SRDR measurement from a standard reflectance plate of barium sulfate (BaSO4) and foot sole of 27 healthy human subjects. The variation in SRDR spectra for each detector and source fiber pair measured with BaSO4 was found to be less than 1.6\%. In-vivo measurements from the foot sole demonstrate that the fabricated probe has the ability to spatially resolve and distinguish the SRDR spectra from sites, namely, the fifth metatarsal, ball of great joint, calcaneum, and great toe. Experimentally and theoretically, the detector and source fiber pair of rho=1.6 and 2.4 mm were optimal for SRDR measurements from a human foot. To evaluate and validate the performance of SRFP in a context relevant to DFU diagnosis, further SRDS measurements were performed on the solid tissue phantoms that mimic the optical properties of the normal and diabetic foot sole, and their results are statistically found different. Preliminary results suggest that developed SRFP can be explored for DRS measurement from foot ulcer patients to confirm its potential clinical applicability.
}, keywords = {diabetic foot ulcer, diffuse reflectance spectroscopy, foot sole, spatially resolved fiber-optic probe, tissue phantom}, issn = {0091-3286}, doi = {10.1117/1.OE.63.4.044103}, author = {Kumar, Ajay and Hattale, Gangadhar and Pawar, Dnyandeo and Kanawade, Rajesh} } @article {49115, title = {Facile chemical synthesis of BaO:MgO nanorods for designing distinctive solid-state asymmetric supercapacitor device with activated carbon}, journal = {Journal of Energy Storage}, volume = {84}, year = {2024}, month = {APR}, pages = {110776}, type = {Article}, abstract = {
The successive ionic layer adsorption and reaction (SILAR) technique was adapted to produce the interconnected complex network of BaO:MgO nanorods on a flexible stainless-steel (SS) substrate surface. The phase and surface morphology of the BaO:MgO electrode were examined from the X-ray diffraction and scanning electron microscopy measurements, respectively, which endowed electrochemical specific capacitance (SC) of 528.77 F/g at a 2 mV/s scan rate with great rate capability and cycling performance of 94.33 \% over 5000 cyclic voltammetry cycles. Fabricated BaO:MgO//AC asymmetric solid-state supercapacitor device, using polyvinyl alcohol and potassium hydroxide gel as an electrolyte, demonstrated distinctive energy storage performance, i.e., a specific capacitance (SC) of 259.07 F/g with an energy density of 57.27 Wh/kg and a power density of 2.34 kW/kg at a current density of 4 mA/cm(2). The results demonstrated the facile method for synthesizing a spherical nanorod network of BaO:MgO and made them promising electrode materials for energy storage applications. The use of a solid-state supercapacitor device to illuminate an LED demonstrated the commercial feasibility of both the materials utilized and the design type.
}, keywords = {activated carbon, ASSD device, BaO:MgO, SILAR, supercapacitor}, issn = {2352-152X}, doi = {10.1016/j.est.2024.110776}, author = {Bobade, Rushikesh G. and Dabke, Niteen B. and Shaikh, Shoyebmohamad F. and Lokhande, Balkrushna J. and Mane, Rajaram S. and Ambare, Revanappa C.} } @article {48987, title = {Facile microwave synthesis of Zinc Ferrite@NCDs for photocatalytic degradation of fluoroquinolone antibiotics}, journal = {Materials Chemistry and Physics}, volume = {314}, year = {2024}, month = {FEB}, type = {Article}, abstract = {
Zinc ferrite (ZnFe2O4) composites have attracted growing interest in photocatalytic water purification. Herein, the hybrids of zinc ferrite and nitrogen-doped carbon dots (ZnF@x\%NCDs) were synthesized via facile micro-wave synthesis. X-ray diffraction and Raman characterization confirm the formation of the spinel structure, and elemental composition has been analyzed by X-ray photoelectron spectroscopy. The photocatalytic activity of ZnF@x\%NCDs was evaluated via the decomposition of ciprofloxacin and norfloxacin under visible light illumination. We noted that 20 \% weight loading of NCDs led to the highest (similar to 79.2 \%) ciprofloxacin (CIP) degradation. Diffuse reflectance measurements demonstrate the reduction of the band gap in composites ZnF@20\%NCDs (1.91 eV) compared with bare ZnF (2.03 eV); moreover, the hybridization of zinc ferrites with NCDs results in enhanced photocurrent density and surface area. The effect of experimental parameters, including the role of photocatalyst dosage, pH value, and initial concentration of pollutants on the degradation of CIP, have also been investigated.
}, keywords = {Carbon dots, Ciprofloxacin degradation, Norfloxacin degradation, Photocatalysis, Zinc Ferrite}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2023.128823}, author = {Kaushal, Neha and Sarraf, Sonu and Basu, Aviru Kumar and Mishra, Sunita and Saha, Avishek} } @article {49113, title = {Facile synthesis of nanostructured Ni/NiO/N-doped graphene electrocatalysts for enhanced oxygen evolution reaction}, journal = {Nanoscale Advances}, volume = {6}, year = {2024}, month = {MAY}, pages = {2813-2822}, type = {Article}, abstract = {
Electrocatalysts containing a Ni/NiO/N-doped graphene interface have been synthesised using the ligand-assisted chemical vapor deposition technique. NiO nanoparticles were used as the substrate to grow N-doped graphene by decomposing vapours of benzene and N-containing ligands. The method was demonstrated with two nitrogen-containing ligands, namely dipyrazino[2,3-f:2 {\textquoteleft},3 {\textquoteleft}-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile (L) and melamine (M). The structure and composition of the as-synthesized composites were characterized by XRD, Raman spectroscopy, SEM, TEM and XPS. The composite prepared using the ligand L had NiO sandwiched between Ni and N-doped graphene and showed an overpotential of 292 mV at 10 mA cm-2 and a Tafel slope of 45.41 mV dec-1 for the OER, which is comparable to the existing noble metal catalysts. The composite prepared using the ligand M had Ni encapsulated by N-doped graphene without NiO. It showed an overpotential of 390 mV at 10 mA cm-2 and a Tafel slope of 78.9 mV dec-1. The ligand-assisted CVD route demonstrates a facile route to control the microstructure of the electrocatalysts. Electrocatalysts containing a Ni/NiO/N-doped graphene interface have been synthesised using the ligand-assisted chemical vapor deposition technique.
}, issn = {2516-0230}, doi = {10.1039/d4na00141a}, author = {Madampadi, Roshni and Patel, Avit Bhogilal and Vinod, C. P. and Gupta, Ritu and Jagadeesan, Dinesh} } @article {49326, title = {Far-red active unsymmetrical squaraine dyes containing N-arylated indoline donors for dye sensitized solar cells}, journal = {Photochemistry and Photobiology}, volume = {100}, year = {2024}, month = {JUL}, pages = {1116-1126}, type = {Article}, abstract = {
Squaraine dyes possess sharp far-red active transition with high extinction coefficient and form aggregates on TiO2 surface. Aggregation of dyes on TiO2 has been considered as a detrimental factor for DSSC device performance, which can be controlled by appending alkyl groups to the dye structures. Hence by integrating alkylated (alkyl groups with both in-plane and out-of-plane) aryl group with indoline moiety to make it compatible with other electrolytes and for controlling the dye-aggregation, a series of squaraine acceptor-based dyes SQA4-6 have been designed and synthesized. SQA4-6 dyes showed absorption between 642 and 653 nm (lambda max), photophysical and electrochemical studies indicated that the HOMO energy levels of this sets of dyes are well aligned with the potentials of I-/I3-\$\$ {\textbackslashmathrm{I}}_3\<\^\>{-} \$\$ and [Co(bpy)3]2+/3+ redox shuttles for better dye regeneration process. DSSC device efficiency of 3\% has been achieved for SQA5 dye with iodolyte (I-/I3-\$\$ {\textbackslashmathrm{I}}_3\<\^\>{-} \$\$) electrolyte in the presence of 0.3 mM of chenodeoxycholic acid (CDCA). The IPCE profile of DSSC device fabricated with SQA4-6 dyes indicated the contribution of aggregated structures for the photocurrent generation. Dye-sensitized solar cell (DSSC) device efficiency of 3\% (Jsc 5.72 mA cm-2, Voc 662 mV and ff 79\%) has been achieved for an unsymmetrical squaraine dye, SQA5 with iodolyte electrolyte and the incident photon to current efficiency (IPCE) profile indicates the contribution of aggregated structures for the photocurrent generation.*image
}, keywords = {aggregation of dye, arylation on N-atom of indoline donor, dye-sensitized solar cell, squaraine dye}, issn = {0031-8655}, doi = {10.1111/php.13907}, author = {Jadhav, Avinash P. and Singh, Ambarish Kumar and Pandya, Rinu and Vanka, Kumar and Krishnamoorthy, Kothandam and Jayaraj, Nithyanandhan} } @article {49308, title = {F-doped nickel cobalt oxide-carbon composite electrocatalysts paired with mechanically robust anion-conducting chitosan membranes for flexible and rechargeable zinc-air batteries}, journal = {ACS Applied Energy Materials}, volume = {7}, year = {2024}, month = {AUG}, pages = {7037-7054}, type = {Article}, abstract = {
High-performing, cost-effective electrocatalysts and anion-conducting polymer electrolyte membranes are essential for realizing commercially affordable zinc-air batteries (ZABs). In this context, the present work deals with the development of a bifunctional electrocatalyst and an anion-exchange quasi-solid-state electrolyte membrane (based on quaternary ammonium group-grafted chitosan) for demonstrating flexible and rechargeable ZABs. The electrocatalyst composed of NiCoO2 nanoparticles supported on a carbon framework showcased substantial advancements in its ability to catalyze both oxygen reduction and evolution reactions (ORR and OER) due to the heteroatom doping by fluorine. For instance, the optimized electrocatalyst (F-NCO-ADC-600) exhibited an onset potential of 0.96 V vs RHE with a half-wave potential of 0.83 V vs RHE for ORR, a comparable performance with the state-of-the-art Pt/C (1.0 and 0.86 V vs RHE, respectively). On a similar note, the same catalyst also displayed an overpotential of 340 mV vs RHE for OER at a current density of 20 mA cm(-2), close to that of a standard RuO2 catalyst (337 mV vs RHE). In the context of polymer electrolytes, the quaternary ammonium-group-grafted chitosan membrane depicted superior ionic conductivity, liquid electrolyte uptake, and mechanical properties, thereby proving to be an efficient anion-conducting polymer electrolyte membrane. The realistic application of the developed electrocatalyst and the polymer electrolyte membrane is demonstrated in the ZAB prototypes. The assembled rechargeable ZAB (RZAB) delivered a power density of 207 mW cm(-2) and maintained high-rate capability and cycling stability, notably in a flexible configuration (f-RZABs). Thus, this work provides a strategy for the rational design of anion-exchange membranes and bifunctional electrocatalysts for f-RZABs.
}, keywords = {anion-conducting polymer electrolytemembrane, F-doping, flexible and rechargeable zinc-air batteries(f-RZABs), oxygen evolution reaction(OER), oxygen reduction reaction (ORR)}, issn = {2574-0962}, doi = {10.1021/acsaem.4c01261}, author = {Kurian, Maria and Ranganath, Suresha P. and Vijayakumar, Vidyanand and Sivadasan, Sneha and Kurian, Rachna Maria and Badiger, Manohar V. and Kurungot, Sreekumar} } @article {49657, title = {Feedback driven autonomous cycles of assembly and disassembly from minimal building blocks}, journal = {Nature Communications}, volume = {15}, year = {2024}, month = {NOV}, pages = {9980}, type = {Article}, abstract = {
The construction of complex systems by simple chemicals that can display emergent network dynamics might contribute to our understanding of complex behavior from simple organic reactions. Here we design single amino acid/dipeptide-based systems that exhibit multiple periodic changes of (dis)assembly under non-equilibrium conditions in closed system, importantly in the absence of evolved biocatalysts. The two-component based building block exploits pH driven non-covalent assembly and time-delayed accelerated catalysis from self-assembled state to install orthogonal feedback loops with a single batch of reactants. Mathematical modelling of the reaction network establishes that the oscillations are transient for this network structure and helps to predict the relative contribution of the feedback loop to the ability of the system to exhibit such transient oscillation. Such autonomous systems with purely synthetic molecules are the starting point that can enable the design of active materials with emergent properties. The study of the network dynamics of complex systems formed by simple chemicals can contribute to our understanding of complex behavior from simple organic reactions. Here, built on the minimal building blocks, the authors describe a system with periodic (dis)assembly utilizing feedback loops controlled by time-delayed catalysis and pH-driven assembly.
}, doi = {10.1038/s41467-024-54197-y}, author = {Reja, Antara and Jha, Sangam and Sreejan, Ashley and Pal, Sumit and Bal, Subhajit and Gadgil, Chetan and Das, Dibyendu} } @article {49085, title = {Ferric oxide nanocatalyst: synthesis, characterization, and application in the one-pot three-component synthesis of 3,4,5-trisubstituted isoxazole derivatives}, journal = {Monatshefte Fur Chemie}, volume = {155}, year = {2024}, month = {JUN}, pages = {631-641}, type = {Article}, abstract = {
In this study, we have focused on the preparation and application of a nano-ferric oxide catalyst as a heterogeneous catalyst in the one-pot, three-component synthesis of isoxazole derivatives. The ferric oxide catalyst was synthesized using a simple precipitation method and thoroughly characterized using techniques such as FT-IR, XRD, SEM, EDX, and BET. The effectiveness of the ferric oxide catalyst as a heterogeneous catalyst was investigated in the synthesis of 3,4,5-trisubstituted isoxazole. The results of the synthesis demonstrated that the catalyst exhibited high efficiency in facilitating the three-component, one-pot synthesis of 3,4,5-trisubstituted isoxazole derivatives. The synthesis route employed in this study offers several advantages, including its simplicity, ease of workup, and environmental friendliness. Furthermore, the catalyst was successfully recovered and reused for five cycles without experiencing a significant loss in catalytic activity. This finding highlights the excellent stability and promising potential of the catalyst for organic transformations. Overall, our study showcases the successful preparation and application of the nano-ferric oxide catalyst in the synthesis of isoxazole derivatives, providing valuable insights into its catalytic performance and potential for future applications in organic chemistry.
}, keywords = {Ferric oxide nanoparticles, heterogeneous catalyst, Isoxazole, Multicomponent reaction}, issn = {0026-9247}, doi = {10.1007/s00706-024-03194-4}, author = {Totre, Ganesh and Shinde, Dnyaneshwar and Shirsath, Sachin and Patil, Prakash and Kulkarni, Pramod} } @article {49103, title = {Fictibacillus fluitans sp. nov., isolated from freshwater pond}, journal = {Archives of Microbiology }, volume = {206}, year = {2024}, month = {FEB}, pages = {70}, type = {Article}, abstract = {
A Gram-positive, aerobic, rod-shaped, spore-forming bacterium, designated NE201(T), was isolated from a freshwater pond in Village Nerur, India. Growth was observed in the range of 15-45 degrees C temperature with optimum at 30 degrees C, pH range of 5-9 (optimum at 7.0), and at concentrations of NaCl ranging between 0 and 14\% (optimum 0\%, w/v). The 16S rRNA gene sequence showed the highest similarity with Fictibacillus enclensis NIO-1003(T) (JF893461) at 99.01\% followed by F. rigui WPCB074(T) (EU939689) at 98.9\% and F. solisalsi CGMCC 1.6854(T) (EU046268) at 98.66\%. The digital DNA-DNA hybridization (dDDH) and orthoANI values for strain NE201(T) against F. enclensis NIO-1003(T) (GCA_900094955.1) were 33.7\% and 87.68\%, respectively. The phylogenetic analysis based on the 16S rRNA gene, 92 core genes derived from the genome, and 20 proteins involving over 20,236 amino acid positions revealed the distinct phylogenetic position of strain NE201(T) and the formation of a clearly defined monophyletic clade with F. enclensis. The strain NE201(T) showed a unique carbon utilization and assimilation pattern that differentiated it from F. enclensis NIO-1003(T). The major fatty acids were anteiso -C-15:0 (51.42\%) and iso-C-15:0 (18.88\%). The major polar lipids were phosphatidylglycerol (PG), phosphatidylethanolamine (PE, and diphosphatidylglycerol (DPG). The antiSMASH analyzed genome of NE201(T) highlighted its diverse biosynthetic potential, unveiling regions associated with terpene, non-ribosomal peptide synthetases (NRPS), lassopeptides, NI-siderophores, lanthipeptides (LAP), and Type 3 Polyketide Synthases (T3PKS). The overall phenotypic, genotypic, and chemotaxonomic characters strongly suggested that the strain NE201(T) represents a novel species of genus Fictibacillus for which the name Fictibacillus fluitans sp. nov. is proposed. The type strain is NE201(T) (= MCC 5285 = JCM 36474).
}, keywords = {Bacillus, Fictibacillus, Freshwater bacteria}, issn = {0302-8933}, doi = {10.1007/s00203-023-03794-4}, author = {Yadav, Amit and Maurya, Akanksha and Bhavsar, Yash and Teware, Ruchi and Bhatt, Agrima and DaCosta, Elaine and Thorat, Vipool and Kirdat, Kiran and Dastager, Syed G.} } @article {49303, title = {First-principles simulation of active site selectivity for CO2 and H2 adsorption on Mg(OH)+/Mg2+ and Ca(OH)+/Ca2+ zeolites}, journal = {Journal of Physical Chemistry C}, volume = {128}, year = {2024}, month = {DEC }, pages = {21659-21671}, type = {Article}, abstract = {
One very effective strategy for addressing global warming and transitioning to sustainable energy sources is selective CO2 separation over H-2. Porous materials, particularly zeolites, have demonstrated enormous potential for energy-efficient separation techniques combined with storage. By altering interactions at cation-binding sites, zeolite{\textquoteright}s gas adsorption characteristics toward carbon capture can be improved. In this study, Mg and Ca are assessed as extra-framework cations in divalent (Ca2+, Mg2+) and monovalent states (Ca(OH)(+), Mg(OH)(+)) in faujasite and chabazite zeolites for CO2 capture over H-2. The study also explores the impact of mixed cations, viz., a combination of both Ca2+ and Mg2+ in the framework, on their selective adsorption potential. This study uses DFT with dispersion corrections to calculate adsorption energies, enthalpies, and Gibb{\textquoteright}s free energies of adsorbed CO2 and H-2 molecules. Among the dispersion parameters evaluated, viz., D4, TS/HI, and MBD, D4 approaches experimental accuracy. In general, the adsorption trend obtained for CO2 is Mg FAU \> Ca FAU \> Mg CHA \> Ca CHA \> Mg(OH)(+) FAU \> Ca(OH)(+) FAU \> Mg(OH)(+) CHA \> Ca(OH)(+) CHA. The heats of adsorption using PBE+D4 for CO2 are -46 kJ/mol for Ca FAU and -10 kJ/mol for Ca(OH)(+) FAU, respectively. These values closely align with the experimental results of -45 and -6 kJ/mol, respectively, within a chemical accuracy limit of +/- 4 kJ/mol. The relative adsorption energies suggest that for both FAU and CHA, there exists a minimum difference of 26 kJ/mol in adsorption energies between CO2 and H-2. Hence, this piece of work highlights that FAU with Ca and Mg as extra-framework cations in a six-membered cage can be a viable substitute to replace, the current best candidate in literature, viz., Li+, for selective CO2 capture.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.4c05835}, author = {Samal, Pragnya Paramita and Krishnamurty, Sailaja} } @article {48981, title = {Flagellar motor protein-targeted search for the druggable site of Helicobacter pylori}, journal = {Physical Chemistry Chemical Physics }, volume = {26}, year = {2024}, month = {JAN }, pages = {2111-2126}, type = {Article}, abstract = {
The deleterious impact of Helicobacter pylori (H. pylori) on human health is contingent upon its ability to create and sustain colony structure, which in turn is dictated by the effective performance of flagella - a multi-protein rotary nanodevice. Hence, to design an effective therapeutic strategy against H. pylori, we here conducted a systematic search for an effective druggable site by focusing on the structure-dynamics-energetics-stability landscape of the junction points of three 1 : 1 protein complexes (FliF(C)-FliG(N), FliG(M)-FliM(M), and FliY(C)-FliN(C)) that contribute mainly to the rotary motion of the flagella via the transformation of information along the junctions over a wide range of pH values operative in the stomach (from neutral to acidic). We applied a gamut of physiologically relevant perturbations in the form of thermal scanning and mechanical force to sample the entire quasi - and non-equilibrium conformational spaces available for the protein complexes under neutral and acidic pH conditions. Our perturbation-induced magnification of conformational distortion approach identified pH-independent protein sequence-specific evolution of precise thermally labile segments, which dictate the specific thermal unfolding mechanism of each complex and this complex-specific pH-independent structural disruption notion remains consistent under mechanical stress as well. Complementing the above observations with the relative rank-ordering of estimated equilibrium binding free energies between two protein sequences of a specific complex quantifies the extent of structure-stability modulation due to pH alteration, rationalizes the exceptional stability of H. pylori under acidic pH conditions, and identifies the pH-independent complex-sequence-segment-residue diagram for targeted drug design.
}, issn = {1463-9076}, doi = {10.1039/d3cp05024f}, author = {Tammara, Vaishnavi and Angrover, Ruchika and Sirur, Disha and Das, Atanu} } @article {49078, title = {Flow and clogging behavior of a mixture of particles in a silo}, journal = {Physics of Fluids }, volume = {36}, year = {2024}, month = {MAY}, type = {Article}, abstract = {
We investigated the clogging behavior observed during the flow of aspherical particles from a silo in the presence of spherical particles of different sizes and proportions using flow visualization experiments and discrete element method simulations. The size of the avalanche, essentially the tendency of clogging, exhibits non-monotonic dependence on the spherical particle volume fraction. For small enough content of spherical particles, the clogging tendency intensifies, whereas it reduces rapidly for high enough spherical particle fractions, with a minimum in between. The non-monotonic behavior is observed to persist over for different spherical particle sizes. The overall behavior is shown to arise due to competing effects between the localized total particle fraction influencing avalanche strength and mean size of the particles exiting the silo, influencing the probability of arch formation.
}, issn = {1070-6631}, doi = {10.1063/5.0205141}, author = {Bhure, Sukhada C. and Doshi, Pankaj and Orpe, Ashish V.} } @article {49310, title = {From digital blueprint to chemical reality: methanol to formaldehyde at ambient conditions}, journal = {Applied Surface Science}, volume = {669}, year = {2024}, month = {OCT }, pages = {160527}, type = {Article}, abstract = {
Partial oxidation of methanol to value added product presents an intriguing yet challenging process. Among these products, formaldehyde is the simplest and one of the most vital aliphatic aldehydes, which has extensive application across various domains. Industrially, silver and iron-molybdenum oxides are used as catalysts for the conversion of methanol to formaldehyde at elevated temperatures (600 degrees C and 250-400 degrees C, respectively). However, in this computational and experimental study, we have demonstrated the efficacy of ZnO as a catalyst. Notably, in the presence of ZnO, methanol readily converts to formaldehyde even under ambient conditions. We employed periodic density functional theory (DFT) to explore (10 1 1) facet of ZnO to elucidate its interaction with methanol. Our comprehensive analysis identified the most active facet (10 1 1) involved in the spontaneous conversion of methanol to formaldehyde. Subsequently, experimental validation supported our theoretical findings, demonstrating the conversion of methanol to formaldehyde with 100\% selectivity at room temperature and atmospheric pressure in the presence of ZnO. This study exemplifies the pivotal role of theory in catalyst design.
}, keywords = {DFT, Formaldehyde, MeOH, ZnO}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2024.160527}, author = {Mehta, Shweta and Kasabe, Mirabai and Umbarkar, Shubhangi B. and Joshi, Kavita} } @article {49116, title = {Fuel from waste: electrosynthesizing ammonia directly from agricultural digestate through ligand isomerization}, journal = {Green Chemistry}, volume = {26}, year = {2024}, month = {JUN}, pages = {6490-6500}, type = {Article}, abstract = {
We demonstrate that the catalytic metal centre for ammonia production can be selectively activated with only a slight alteration in ligand isomerization (alpha and beta isomers), making it practical and effective even for agricultural effluents. With almost 90\% faradaic efficiency, the beta isomer generates approximately 0.64 mg h-1 cm-2 of ammonia. Energy-efficient ammonia recovery is made possible by the interfacial proton charge assembly that beta-isomerization creates, which attracts the reacting nitrate and repels the competing hydronium ions. With minimal energy consumption, this isomerization approach can interconvert agricultural effluents into ammonia fuel, reaching up to 84\% of its theoretical yield and maintaining stability over 100 hours of continuous electrolysis. Ligand isomerization driven ammonia electrosynthesis from agricultural waste water.
}, issn = {1463-9262}, doi = {10.1039/d4gc00740a}, author = {Mendhe, Rahul Mahadeo and Mondal, Ritwik and Kottaichamy, Alagar Raja and Haridas, Akshay and Kotresh, Harish Makri Nimbegondi and Vinod, Chathakudath Prabhakaran and Thimmappa, Ravikumar and Thotiyl, Musthafa Ottakam} } @article {49365, title = {Fuel-influenced nanorod-to-nanosphere transformation of vanadium-doped ZnO and its performance in dye-sensitized solar cells}, journal = {NEW JOURNAL OF CHEMISTRY}, volume = {48}, year = {2024}, month = {NOV }, pages = {19175-19187}, keywords = {Nanoparticles, Nanowires, Photoanode, Thin-films}, issn = {1144-0546}, doi = {10.1039/d4nj03589e}, author = {Kuppusamy, Sasikumar and Mohan, Theanmozhi and Gnana Kumar, G. and Gopinath, Chinnakonda S. and Saha, Arindam and Michael, Robin Jude Vimal} } @article {49301, title = {Functionalized quinolones and isoquinolones via 1,2-difunctionalization of arynes: synthesis of antagonist agent AS2717638 and floxacin key intermediates}, journal = {Chemical Communications}, volume = {61}, year = {2024}, month = {DEC}, pages = {133-136}, type = {Article}, abstract = {
Quinolones and isoquinolones are privileged scaffolds in synthetic/medicinal chemistry and drug discovery due to their unique chemical structures and intrinsic properties. Herein, we reveal a transition-metal-free approach for their synthesis from the reaction of dimethyl-2-((phenylamino)methylene)malonate with aryne precursors under mild conditions. The substrate scope is broad, accommodating a wide range of functional groups. The synthetic utility of the developed protocol has been demonstrated in the total synthesis of the potent antagonist agent AS2717638 and key intermediates of floxacin congeners. The gram-scale experiments illustrate its synthetic potential.
}, issn = {1359-7345}, doi = {10.1039/d4cc05671j}, author = {Mahale, Sachin D. and Prasad, Anamika and Mhaske, Santosh B.} } @article {49325, title = {Genome sequencing and analysis of penicillin V producing Penicillium rubens strain BIONCL P45 isolated from India}, journal = {International Microbiology}, volume = {27}, year = {2024}, month = {OCT}, pages = {1473-1484}, type = {Article}, abstract = {
Background A filamentous fungus Penicillium rubens is widely recognized for producing industrially important antibiotic, penicillin at industrial scale. Objective To better comprehend, the genetic blueprint of the wild-type P. rubens was isolated from India to identify the genetic/biosynthetic pathways for phenoxymethylpenicillin (penicillin V, PenV) and other secondary metabolites. Method Genomic DNA (gDNA) was isolated, and library was prepared as per Illumina platform. Whole genome sequencing (WGS) was performed according to Illumina NovoSeq platform. Further, SOAPdenovo was used to assemble the short reads validated by Bowtie-2 and SAMtools packages. Glimmer and GeneMark were used to dig out total genes in genome. Functional annotation of predicted proteins was performed by NCBI non-redundant (NR), UniProt, Kyoto Encyclopedia of Genes and Genomes (KEGG), and Gene Ontology (GO) databases. Moreover, secretome analysis was performed by SignalP 4.1 and TargetP v1.1 and carbohydrate-active enzymes (CAZymes) and protease families by CAZy database. Comparative genome analysis was performed by Mauve 2.4.0. software to find genomic correlation between P. rubens BIONCL P45 and Penicillium chrysogenum Wisconsin 54-1255; also phylogeny was prepared with known penicillin producing strains by ParSNP tool. Results Penicillium rubens BIONCL P45 strain was isolated from India and is producing excess PenV. The 31.09 Mb genome was assembled with 95.6\% coverage of the reference genome P. chrysogenum Wis 54-1255 with 10687 protein coding genes, 3502 genes had homologs in NR, UniProt, KEGG, and GO databases. Additionally, 358 CAZymes and 911 transporter coding genes were found in genome. Genome contains complete pathways for penicillin, homogentisate pathway of phenyl acetic acid (PAA) catabolism, Andrastin A, Sorbicillin, Roquefortine C, and Meleagrin. Comparative genome analysis of BIONCL P45 and Wis 54-1255 revealed 99.89\% coverage with 2952 common KEGG orthologous protein-coding genes. Phylogenetic analysis revealed that BIONCL P45 was clustered with Fleming{\textquoteright}s original isolate P. rubens IMI 15378. Conclusion This genome can be a helpful resource for further research in developing fermentation processes and strain engineering approaches for high titer penicillin production.
}, keywords = {comparative genomics, Illumina NovoSeq, Penicillin biosynthesis, Penicillium rubens, Secondary metabolites, whole genome sequencing}, issn = {1139-6709}, doi = {10.1007/s10123-024-00491-0}, author = {Sawant, Amol M. and Navale, Vishwambar D. and Vamkudoth, Koteswara Rao} } @article {49102, title = {Genome sequencing and protein modeling unraveled the 2AP biosynthesis in Bacillus cereus DB25}, journal = {International Journal of Food Microbiology}, volume = {413}, year = {2024}, month = {MAR }, pages = {110600}, type = {Article}, abstract = {
2-Acetyl-1-pyrroline (2AP) is an important and major flavor aroma compound responsible for the fragrance of basmati rice, cheese, wine, and several other food products. Biosynthesis of 2AP in aromatic rice and a few other plant species is associated with a recessive Betaine aldehyde dehydrogenase 2 (BADH2) gene. However, the literature is scant on the relationship between the functional BADH2 gene and 2AP biosynthesis in prokaryotic systems. Therefore, in the present study, we aimed to explore the functionality of the BADH2 gene for 2AP biosynthesis in 2AP synthesizing rice rhizobacterial isolate Bacillus cereus DB25 isolated from the rhizosphere of basmati rice (Oryza sativa L.). Full-length BcBADH2 sequence was obtained through whole genome sequencing (WGS) and further confirmed through traditional PCR and Sanger sequencing. Then the functionality of the BcBADH2 gene was evaluated in-silico through bioinformatics analysis and protein docking studies and further experimentally validated through enzyme assay. The sequencing and bioinformatics analysis results revealed a full-length 1485 bp BcBADH2 coding sequence without any deletion or premature stop codons. Full-length BcBADH2 was found to encode a fully functional protein of 54.08 kDa with pI of 5.22 and showed the presence of the conserved amino acids responsible for enzyme activity. The docking studies confirmed a good affinity between the protein and its substrate whereas the presence of BcBADH2 enzyme activity confirmed the functionality of BADH2 enzyme in B. cereus DB25. In conclusion, the findings of the present study suggest that B. cereus DB25 is able to synthesize 2AP despite a functional BADH2 gene and there may be a different molecular mechanism responsible for 2AP biosynthesis in bacterial systems, unlike that found in aromatic rice and other eukaryotic plant species.
}, keywords = {2-Acetyl-1-pyrroline, Basmati rice flavor, Betaine aldehyde dehydrogenase 2, Protein-ligand docking, Rhizobacteria, Whole-genome sequence}, issn = {0168-1605}, doi = {10.1016/j.ijfoodmicro.2024.110600}, author = {Dhondge, Harshal V. and Barvkar, Vitthal T. and Dastager, Syed G. and Dharne, Mahesh S. and Rajput, Vinay and Pable, Anupama A. and Henry, Robert J. and Nadaf, Altafhusain B.} } @article {49432, title = {Glory of fire retardants in Li-ion batteries: could they be intrinsically safer?}, journal = {Advanced Sustainable Systems}, volume = {8}, year = {2024}, month = {OCT}, pages = {2400273}, type = {Article}, abstract = {
Lithium-ion batteries (LIBs) have dramatically transformed modern energy storage, powering a wide range of devices from portable electronics to electric vehicles, yet the use of flammable liquid electrolytes raises thermal safety concerns. Researchers have investigated several ways to enhance LIB{\textquoteright}s fire resistance. Fire retarding molecules functions through cooling effects, scavenging radicals, and forming protective barriers. Incorporating fire-suppressing molecules within the LIBs aims to delay or mitigate thermal runaway scenarios, reducing the risks of fires or explosions. Achieving an optimal balance between safety and performance is a major obstacle in the design of intrinsically safer LIBs. Therefore, it is important to consider their effects on LIB{\textquoteright}s performance, long-term stability, and environmental impact. To overcome these challenges, collaborative research efforts among academia, industry, and regulatory sectors are necessary. This article reviews state-of-the-art literature associated with LIBs safety or even fire mitigation by introducing solid-state or quasi-solid-state electrolytes as well as modified liquid electrolytes. Moreover, the effectiveness of various strategies in making LIBs intrinsically safer is critically evaluated with an emphasis on fire retardants followed by shedding some light on the remaining challenges.
}, author = {Mishra, Rajat and Anne, Mounika and Das, Sayan and Chavva, Tarunikaa and Shelke, Manjusha V. and Pol, Vilas G.} } @article {49435, title = {Green synthesis of silver and gold ultra nanocomposites from silk fibroin and their application for treatment of endodontic infections}, journal = {Emergent Materials}, volume = {7}, year = {2024}, month = {JUN}, pages = {2645{\textendash}2660}, type = {Article}, abstract = {
The present study is designed to investigate the antibacterial efficacy of\ B. mori\ silk fibroin based silver and gold ultra bio-nanocomposites (SF-AgUNC and SF-AuUNC) against\ Enterococcus faecalis\ for endodontic disinfection. The SF-AgUNC and SF-AuUNC based irrigant solution was tested\ in- vitro\ against\ Enterococcus faecalis\ (ATCC: 29212). In this direction, SF-AgUNC and SF-AuUNC synthesized by silk fibroin are very important as they are economically cheap and easy to biosynthesize. The synthesis of SF-AgUNC and SF-AuUNC was accomplished by dissolving 1 mM silver nitrate and 0.5 mM auric chloride respectively in 10 ml of fibroin as precursors. The structural and morphological analysis was executed by UV-Vis Spectroscopy, X-ray diffraction (XRD), Fourier transform infrared spectroscopic analysis (FTIR), Field Emission Scanning Electron Microscopy (FESEM), Transmission electron microscopy (TEM), Energy-dispersive X-ray spectroscopy (EDAX) and X-ray photoelectron spectroscopy (XPS). The qualitative antimicrobial activity of SF-AgUNC and SF-AuUNC were performed against inoculum of\ Enterococcus faecalis\ containing 1⨯105\ CFU/ ml. The same solutions were tested on dentine specimens inoculated with bacterial cultures and found remarkable biofilm reduction. The structural and morphological analysis reveals the formation of SF-AgUNC and SF-AuUNC having quasi-spherical morphology. The average particle size for SF-AgUNC and SF-AuUNC was same (~ 8 nm). The XRD study confirms that, both SF-AgUNC and SF-AuUNC were crystalline in nature. The bacterial growth inhibition and significant biofilm reduction was observed on dentine specimens treated with SF-AgUNC, SF-AuUNC and positive control. In antibacterial study, at 30 μg/well concentration of SF-AgUNC and SF-AuUNC, 3.13 {\textpm} 0.22 and 1.13 {\textpm} 0.22 cm of zone of inhibition was noted respectively. Moreover, growth of\ Enterococcus faecalis\ was completely inhibited at 20 μg/ml and 30 μg/ml when treated with SF-AgUNC and SF-AuUNC respectively. Hence, the present study concludes that SF-AgUNC and SF-AuUNC can be used as an effective intracanal medicament for the treatment of dental problems with no cyto toxicity.
}, doi = {https://doi.org/10.1007/s42247-024-00757-3}, author = {Pramod C. and Pawar, Jayant and Mane, Deepali P. and Khadase, Ashok N. and Chaudhari, Aditya R. and Ughade, Supriya P. and Chaudhari, Ravindra D. and Agawane, Sachin B.} } @article {49638, title = {Harnessing the potential of Achromobacter sp. M1 to remediate heavy metals from wastewater: genomic insights and environmental applications}, journal = {Journal of Hazardous Materials}, volume = {480}, year = {2024}, month = {DEC}, pages = {136125}, type = {Article}, abstract = {
Lead, mercury, and cadmium are classified as toxic under the toxic Substances{\textquoteright} Priority List by CDC-ATSDR (Center for Disease Control-Agency for Toxic Substances and Disease Registry). This toxic trio is capable of disrupting the one-health harmony due to its human, animal, and environmental hazards. The present study aimed in removing the toxic trio within 24 h using a novel Achromobacter sp. M1. Atomic absorption spectroscopic evaluation for removal efficiency of Pb, Hg, and Cd by M1 was 68.8 +/- 0.9\%, 82.7 +/- 1.9\%, and 94.9 +/- 1.2 \%, respectively, within 24 h. Lab-scale evaluation of strain M1 with wastewater showed the removal of the toxic trio together with the reduction in TSS from 140 to 118 ppm, BOD from 100 to 58 ppm, and COD from 381 to 222 ppm. Furthermore, strain M1 was capable of mitigating heavy metal stress and promoting plant growth, evidenced through chlorophyll, malondialdehyde, and proline estimation, together with the production of indole acetic acid (23.84 mu g/mL), siderophore (85 \%), and solubilization of silica (39.66 mu g/mL). Whole genome sequencing revealed an ANI of 89 \%, indicating a novel species of Achromobacter genus. A total of 23 putative genes for Cd, Hg, and Pb resistance were identified through genome mining.
}, keywords = {Achromobacter sp. M1, Metal biosorption, Metal transporters, Toxic trio, Whole genome}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2024.136125}, author = {Mahale, Mithil and Samson, Rachel and Dharne, Mahesh and Kodam, Kisan} } @article {49656, title = {Heterogeneous acid-base organocatalyst for cascade deacetalisation-knoevenagel condensations}, journal = {ChemSusChem}, volume = {17}, year = {2024}, month = {DEC}, pages = {e202400866}, type = {Article}, abstract = {
Multifunctional heterogeneous catalysts are an effective strategy to drive chemical cascades, with attendant time, resource and cost efficiencies by eliminating unit operations arising in normal multistep processes. Despite advances in the design of such catalysts, the fabrication of proximate, chemically antagonistic active sites remains a challenge for inorganic materials science. Hydrogen-bonded organocatalysts offer new opportunities for the molecular level design of multifunctional structures capable of stabilising antagonistic active sites. We report the catalytic application of a charge-assisted, hydrogen-bonded crystalline material, bis(melaminium)adipate (BMA), synthesised from melamine and adipic acid, which possesses proximate acid-base sites. BMA exhibits high activity for the cascade deacetalisation-Knoevenagel condensation of dimethyl acetals to form benzylidenemalononitriles under mild conditions in water; BMA is amenable to large-scale manufacture and recycling with minimal deactivation. Computational modelling of the melaminium cation in protonated BMA explains the observed catalytic reactivity, and identifies the first demethoxylation step as rate-limiting, which is in good agreement with time-dependent 1H NMR and kinetic experiments. A broad substrate scope for the cascade transformation of aromatic dimethyl acetals is demonstrated.
}, keywords = {Antagonistic acid-base sites, Charge-assisted hydrogen bonding, Chemical cascade, organocatalysis, Sustainable catalysis}, issn = {1864-5631}, doi = {10.1002/cssc.202400866}, author = {Chhetri, Ashis and Maibam, Ashakiran and Maniam, Subashani and BabaRao, Ravichandar and Wilson, Karen and Lee, Adam F. and Mitra, Joyee} } @article {49111, title = {Hexagonal boron nitride quantum dots embedded on layer-by-layer films for peroxidase-assisted colorimetric detection of β-galactosidase producing pathogens}, journal = {ACS Applied Materials and Interfaces}, volume = {16}, year = {2024}, month = {MAY }, pages = {26870-26885}, type = {Article}, abstract = {
Pathogen detection has become a major research area all over the world for water quality surveillance and microbial risk assessment. Therefore, designing simple and sensitive detection kits plays a key role in envisaging and evaluating the risk of disease outbreaks and providing quality healthcare settings. Herein, we have designed a facile and low-cost colorimetric sensing strategy for the selective and sensitive determination of beta-galactosidase producing pathogens. The hexagonal boron nitride quantum dots (h-BN QDs) were established as a nanozyme that showed prominent peroxidase-like activity, which catalyzes 3,3 {\textquoteleft},5,5 {\textquoteleft}-tetramethylbenzidine (TMB) oxidation by H2O2. The h-BN QDs were embedded on a layer-by-layer assembled agarose biopolymer. The beta-galactosidase enzyme partially degrades beta-1,4 glycosidic bonds of agarose polymer, resulting in accessibility of h-BN QDs on the solid surface. This assay can be conveniently conducted and analyzed by monitoring the blue color formation due to TMB oxidation within 30 min. The nanocomposite was stable for more than 90 days and was showing TMB oxidation after incubating it with Escherichia coli (E. coli). The limit of detection was calculated to be 1.8 x 10(6) and 1.5 x 10(6) CFU/mL for E. coli and Klebsiella pneumonia (K. pneumonia), respectively. Furthermore, this novel sensing approach is an attractive platform that was successfully applied to detect E. coli in spiked water samples and other food products with good accuracy, indicating its practical applicability for the detection of pathogens in real samples.
}, keywords = {biopolymer, colorimetric, h-BN quantum dots, nanozyme, pathogens, Sensor}, issn = {1944-8244}, doi = {10.1021/acsami.4c01565}, author = {Majumdar, Sristi and Gogoi, Devipriya and Boruah, Purna K. and Thakur, Ashutosh and Sarmah, Priyakhee and Gogoi, Parishmita and Sarkar, Sanjib and Pachani, Priyakshi and Manna, Prasenjit and Saikia, Ratul and Chaturvedi, Vikash and Shelke, Manjusha V. and Das, Manash R.} } @article {49389, title = {High-capacity V2N MXene for multivalent ion batteries: an Ab initio study}, journal = {Journal of Physical Chemistry C}, volume = {128}, year = {2024}, month = {JUL}, pages = {12840-12848}, type = {Article}, abstract = {
In this study, the electrochemical energy storage properties of V2N MXene as an electrode material for multivalent zinc (Zn2+) and calcium (Ca2+) ion rechargeable batteries have been studied using first-principles computations. Various properties like band structure, adsorption energy, diffusion kinetics, and open-circuit voltage are investigated using density functional theory. V2N MXene demonstrates metallic properties with a high structural stability and low diffusion barriers. Remarkably, Zn (976.4 mA h/g) and Ca (770.8 mA h/g)-adsorbed V2N MXene layers exhibit better storage capacity than the reported ones (517 mA h/g for zinc-intercalated CC@MnO2@Ti3C2TX and 598.63 mA h/g for calcium-intercalated V3C2/graphene). These findings make V2N MXene a highly promising cathode material for zinc and an anode material for calcium-ion batteries.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.4c03063}, author = {Saharan, Sunita and Ghanekar, Umesh and Shivankar, Bhavana R. and Meena, Shweta} } @article {49069, title = {Highly electrostrictive salt cocrystal and the piezoelectric nanogenerator application of its 3D-printed polymer composite}, journal = {ACS Applied Materials and Interfaces }, volume = {16}, year = {2024}, month = {MAY}, pages = {26406-26416}, type = {Article}, abstract = {
Ionic cocrystals with hydrogen bonding can form exciting materials with enhanced optical and electronic properties. We present a highly moisture-stable ammonium salt cocrystal [CH3C6H4CH(CH3)NH2][CH3C6H4CH(CH3)NH3][PF6] ((p-TEA)(p-TEAH)PF6) crystallizing in the polar monoclinic C2 space group. The asymmetry in (p-TEA)(p-TEAH)PF6 was induced by its chiral substituents, while the polar order and structural stability were achieved by using the octahedral PF6- anion and the consequent formation of salt cocrystal. The ferroelectric properties of (p-TEA)(p-TEAH)PF6 were confirmed through P-E loop measurements. Piezoresponse force microscopy (PFM) enabled the visualization of its domain structure with characteristic {\textquoteleft}{\textquoteleft}butterfly{\textquoteright}{\textquoteright} and hysteresis loops associated with ferro- and piezoelectric properties. Notably, (p-TEA)(p-TEAH)PF6 exhibits a large electrostrictive coefficient (Q(33)) value of 2.02 m(4) C-2, higher than those found for ceramic-based materials and comparable to that of polyvinylidene difluoride. Furthermore, the composite films of (p-TEA)(p-TEAH)PF6 with polycaprolactone (PCL) polymer and its gyroid-shaped 3D-printed composite scaled-up device, 3DP-Gy, were prepared and evaluated for piezoelectric energy-harvesting functionality. A high output voltage of 22.8 V and a power density of 118.5 mu W cm(-3) have been recorded for the 3DP-Gy device. Remarkably, no loss in voltage outputs was observed for the (p-TEA)(p-TEAH)PF6 devices even after exposure to 99\% relative humidity, showcasing their utility under extremely humid conditions.
}, keywords = {3D printing, cocrystals, energy harvesting, ferroelectricity, Piezoelectricity}, issn = {1944-8244}, doi = {10.1021/acsami.4c03349}, author = {Sahoo, Supriya and Panday, Rishukumar and Kothavade, Premkumar and Sharma, Vijay Bhan and Sowmiyanarayanan, Anirudh and Praveenkumar, Balu and Zareba, Jan K. and Kabra, Dinesh and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {49309, title = {Highly selective C-N and C-S dual functionalization of 1,3-dicarbonyl derivatives using TBHP as an oxidant}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {JUN}, pages = {9371-9380}, type = {Article}, abstract = {
A direct electrosynthesis/photocatalyst-free, atom-economical, and efficient method for the selective synthesis of (E)-3-amino-2-thiocyanato-alpha,beta-unsaturated carbonyl compounds is described through a given protocol. The present approach features the use of inexpensive ammonium thiocyanate to achieve dual functionalization of 1,3-dicarbonyl compounds using TBHP as an oxidant, providing a rapid and practical route to the selective formation of both C-N and C-S bonds via a radical process. This method offers a broad substrate scope with excellent yield and allows for further exploration of the products to construct heterocyclic compounds and other functionalities.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c00612}, author = {Bagad, Pooja K. and Darole, Ratanamala S. and Krishna, G. Rama and Senthilkumar, Beeran} } @article {49093, title = {Highly stereoselective diels-alder-based strategy for the synthesis of 3-epi-formicin A and 1-epi-formicin B}, journal = {Organic Letters}, volume = {26}, year = {2024}, month = {APR }, pages = {3961-3965}, type = {Article}, abstract = {
The first enantioselective approach based on a highly stereoselective Diels-Alder reaction for the synthesis of 3-epi-formicin A and 1-epi-formicin B with rare N-acetylcysteamine-containing indenone thioesters is reported. The strategy utilizes a key Diels-Alder reaction to form the core hydrindane system with three contiguous stereocenters in very high levels of diastereo- and regioselectivity and one-pot oxidation/isomerization/dehydrogenation. The scope of this method was tested with different substrates to give cycloadducts in a highly diastereoselective manner.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.4c01209}, author = {Khamkar, Sunil L. and Handore, Kishor L. and Shinde, Harish M. and Reddy, D. Srinivasa} } @article {49639, title = {High-performance photodetector from p-n junction of vertically aligned SnS2 and reduced graphene oxide}, journal = {ACS Applied Electronic Materials}, volume = {6}, year = {2024}, month = {SEP}, pages = {6965-6973}, type = {Article}, abstract = {
Semiconducting 2D transition metal dichalcogenides (TMDC) became very popular in photodetection due to their high mobility and high rate of generating electron and hole pairs. Over the past decade, MoS2 and WS2 became the most popular TMDC for several applications. On the other hand, due to the complex synthesis process compared to MoS2 and WS2, SnS2 became a less popular 2D material for photodetection. We synthesized vertically aligned SnS2 flakes by a chemical vapor deposition (CVD) process with three temperature zones with controlled argon (Ar) gas flow. Pristine SnS2-based devices are not very suitable for photodetection applications because of their low photo-to-dark current ratio (I ph /I (dark) ), high response time, and low stability. So, they need to be decorated with oppositely doped materials. We decorated pristine SnS2-based devices with rGO nanoparticles, which significantly increased the device{\textquoteright}s performance. We found a high responsivity (R) of 1.33 A/W, detectivity (D) of 6.95 x 10(11) Jones, I ph /I dark of 102, and a rise time of 0.241 ms (fall time of 1.318 ms) with the rGO decorated SnS2-based device.
}, keywords = {2D-SnS2, CVD, p-njunction, photodetector, rGO}, doi = {10.1021/acsaelm.4c01311}, author = {Das, Chayan and Kumar, Suresh and Dambhare, Neha V. and Kumar, Mahesh and Rath, Arup K. and Sahu, Satyajit} } @article {49305, title = {High-voltage symmetric supercapacitor electrodes via in situ synthesized multiwalled carbon nanotube-doped perylenebisimide-based donor-acceptor conjugate polymer P(PDI2OD-T2)}, journal = {Journal of Physical Chemistry C}, volume = {128}, year = {2024}, month = {JUL}, pages = {12808-12821}, type = {Article}, abstract = {
This study presents the design and synthesis of a donor-acceptor pi-conjugated polymer composite P(PDI2OD-T2)/MWCNT tailored for high-voltage symmetric supercapacitor applications. The synthesis of P(PDI2OD-T2)/MWCNT was expedited by adopting a novel in situ polymerization technique that modifies the traditional Stille polymerization process. Incorporating approximately 33\% by weight of multiwalled carbon nanotubes (MWCNT) into the polymer matrix, referred to as P-2, significantly enhances its conductivity, surface area, and porosity. These improvements in the material properties contribute to the superior electrochemical performance of the composites by promoting efficient electrolyte ion transport across the electrode-electrolyte interfaces. The symmetric supercapacitor devices fabricated with P-2 electrodes employing both liquid organic (LE-P-2||P-2) and quasi-solid-state gel (QSS- P-2||P-2) electrolytes demonstrate capacitance values of 85.4 and 84.2 F g(-1), respectively, at a current density of 0.25 A g(-1), while operating at a high-voltage window of 3.1 V. Moreover, these devices exhibit robust cycling stability, maintaining approximately 70\% of their initial capacitance over 45,000 cycles with a coulombic efficiency of 96\%. The successful demonstration of a quasi-solid-state symmetric supercapacitor underscores the potential of flexible energy storage solutions, as evidenced by a PMMA LiClO4 gel electrolyte prototype. This flexible device not only maintains structural integrity but also achieves an impressive power density of 18,600 W kg(-1) and an energy density of 112.4 Wh kg(-1), indicating its practical viability for real-world applications.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.4c02345}, author = {Wavhal, Aryan Anurath and Dilwale, Swati and Puthiyaveetil, Priyanka Pandinhare and Kakde, Navnath R. and Prakash, Medha and Kurungot, Sreekumar and Asha, S. K.} } @article {49427, title = {Hybrid silylene-Pd catalyst: efficient C-N cross-coupling of sterically bulky amines and chiral amines}, journal = {Chemical Communications}, volume = {60}, year = {2024}, month = {SEP }, pages = {9958-9961}, type = {Article}, abstract = {
Herein, we report a catalytic system with N-heterocyclic silylene (NHSi)-phosphine-based hybrid bidentate ligands [PhC(NtBu)2SiN(PR2)(2,6-iPr2-C6H3)] and Pd(dba)2, which serves as an effective catalyst for C-N cross-coupling of a wide range of sterically bulky amines and optically active amines, which is challenging otherwise. Herein, we report a hybrid silylene-based bidentate ligand (SiNP)-Pd(0) catalytic system, which performs the C-N coupling of difficult substrates, e.g., sterically bulky amines and chiral amines.
}, issn = {1359-7345}, doi = {10.1039/d4cc03108c}, author = {Kaulage, Sandeep H. and Parvin, Nasrina and Khopade, Kishor V. and Khan, Shabana} } @article {49201, title = {Hydrogen evolution via photocatalytic reforming of biomass with palladium nanoparticles decorated g-C3N4 nanosheets}, journal = {Renewable Energy}, volume = {230}, year = {2024}, month = {SEP}, pages = {120811}, type = {Article}, abstract = {
Fossil fuel depletion and environmental toxins have made photocatalytic H2 production of paramount significance. A novel and unique technique for producing sustainable H2 and valorizing biomass using infinite solar energy is biomass photoreformation. Nevertheless, this environmentally friendly method is usually linked to severe reaction circumstances, insufficient selectivity, and restricted biomass conversion. Here, we present a novel one-pot photoreformation technique over porous g-C3N4 nanosheets surface-modified with Pd nano- particles to convert D-glucose to H2. By stacking the g-C3N4 photocatalyst into a 2D nanosheet structure, some of its inherent drawbacks can be mitigated. Furthermore, the inclusion of noble metal nanoparticles in these g-C3N4 nanosheet structures could significantly boost existing photocatalytic activity. The majority of solar radiation is composed of visible light, which makes up 45\% of it, and ultraviolet light, which makes up 5\%. Therefore, our focus has been on utilizing abundant visible light to facilitate biomass reformation. After 4 h of continuous irradiation, our composite photocatalyst exhibited exceptional visible light activity; its H2 evolution was 1839.84 mu molg- 1h- 1 , or about 27 times higher than that of undoped g-C3N4 nanosheets. The effectiveness of three different Pd loadings on g-C3N4 nanosheets for glucose reforming was examined. In the quest for an improved H2 evolution visible light active photocatalyst, g-C3N4 nanosheets made at various pyrolysis temperatures loaded with optimized Pd weight percentage were also examined.
}, keywords = {Biomass, D -glucose, g-C 3 N 4 nanosheets, Hydrogen evolution, palladium nanoparticles, Photocatalytic reforming}, issn = {0960-1481}, doi = {10.1016/j.renene.2024.120811}, author = {Thara, Chinnu R. and Walko, Priyanka S. and Mathew, Beena} } @article {49084, title = {Hydrogenation of furfural to tetrahydrofurfuryl alcohol over nickel-supported on organoclay catalyst}, journal = {Applied Catalysis A-General}, volume = {674}, year = {2024}, month = {MAR }, pages = {119621}, type = {Article}, abstract = {
Nickel supported on organoclay prepared by the impregnation method provides excellent catalytic activity for the hydrogenation of furfural to tetrahydrofurfuryl alcohol. The relative amount of metal and acidic sites influences the hydrogenation reaction. Additionally, by varying the temperature and the H-2 pressure, we can regulate the interaction of furfural with the active sites. And this may decide the fate of the reaction whether it will undergo a two-step hydrogenation to form tetrahydrofurfuryl alcohol or a rearrangement reaction to form cyclopentanone/cyclopentanol. Water was found to be the best solvent for the selective formation of tetrahydrofurfuryl alcohol. Even though alcohols inhibited rearrangement reaction, the hydrogenation of furfural was more selective towards furfuryl alcohol. Ni/O-clay30A under the optimum conditions of 120 degrees C, 4.0 MPa, and in 1 h offered complete conversion of furfural to tetrahydrofurfuryl alcohol.
}, keywords = {furfural, Hydrogenation, Nickel, organoclay, Tetrahydrofurfuryl alcohol}, issn = {0926-860X}, doi = {10.1016/j.apcata.2024.119621}, author = {Kamble, Paresh A. and Vinod, C. P. and Rathod, Virendra K. and Kantam, Mannepalli Lakshmi} } @article {49057, title = {Hydrogenation of glucose to sorbitol by using nickel hydroxyapatite catalyst}, journal = {Chemcatchem}, volume = {16}, year = {2024}, month = {MAY}, type = {Article}, abstract = {
A series of nickel hydroxyapatite catalysts were synthesized by the co-precipitation method followed by calcination and reduction. These catalysts were employed for the aqueous phase hydrogenation of glucose to sorbitol. The Ni-HAP catalyst with comparatively high surface area and acid-base strength gave high sorbitol selectivity in 1 h. Ni-HAP-4 catalyst with moderate Ni (3.5 wt. \%) content having smaller and highly dispersed nickel particles gives an excellent yield of sorbitol, 97 \% in 1 h. The Ni-HAP-4 catalyst works well with other polar protic solvents. Different characterization techniques like XRD, TEM, SEM-EDS, BET, NH3-TPD, and CO2-TPD were employed to analyze the Ni-HAP-4 catalyst. A facile hydrogenation of glucose to sorbitol has been reported with Ni-HAP catalyst using water as a solvent. The excellent yield of sorbitol, 97 \% in 1 h is possible due to the high surface area and high acid-base strength of the Ni-HAP-4 catalyst. image
}, keywords = {glucose, Hydrogenation, Hydroxyapatite (HAP), Nickel, Sorbitol}, issn = {1867-3880}, doi = {10.1002/cctc.202301590}, author = {Kamble, Paresh A. and Vinod, Chathakudath P. and Rathod, Virendra K. and Lakshmi Kantam, Mannepalli} } @article {49316, title = {HyStor: an experimental database of hydrogen storage properties for various metal alloy classes}, journal = {International Journal of Hydrogen Energy}, volume = {90}, year = {2024}, month = {NOV }, pages = {460-469}, type = {Article}, abstract = {
In this work, we introduce the HyStor database, consisting of 1282 metal alloys along with their maximum hydrogen storage capacity (H2wt\%) at a given absorption temperature. The curated HydPark database consist of 831 entries. We sourced compositions from research articles and various patent documents, resulting in addition of 451 compositions to the HydPark database. The addition is reflected in the data across all existing classes of alloys. Further, low entropy alloys (LEA), medium entropy alloys (MEA) and high entropy alloys (HEA) have been newly included classes. This has broadened the scope of the database to encompass the latest materials of interest for hydrogen storage. HyStor contains representation of 54 elements, with a temperature range of 200-800 K, and H2wt\% ranging from 0.1 to 7.19. We conducted thorough checks for duplicate entries, erroneous data, and conflicting compositions within the database to ensure data quality. Furthermore, we conducted multiple tests to identify potential outlier compositions. The data curation and updation reflects into slight improved error metrics of the HYST model, reducing the Mean Absolute Error (MAE) from 0.31 to 0.29 and increasing the R2 score from 0.77 to 0.79.
}, keywords = {Databases, machine learning, Metal hydrides, Solid-state hydrogen storage}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2024.09.390}, author = {Wilson, Nikhil and Verma, Ashwini and Maharana, Piyush Ranjan and Sahoo, Ameeya Bhusan and Joshi, Kavita} } @article {49048, title = {I2-catalyzed three-component synthesis of 3-selenylated pyrazolo[1,5-a]pyrimidines}, journal = {New Journal of Chemistry}, volume = {48}, year = {2024}, month = {MAY }, pages = {9480-9485}, type = {Article}, abstract = {
A straightforward protocol has been developed to access 3-selenylated pyrazolo[1,5-a]pyrimidines from readily available amino pyrazoles, chalcones, and diaryl/dialkyl diselenides. This I-2-catalyzed methodology is highly useful for synthesizing a wide range of functionalized 3-(aryl/alkylselanyl)pyrazolo[1,5-a]pyrimidine derivatives. Mechanistic investigation disclosed that iodine catalysis is very important in both the cyclization process as well as in the C-H selenylation step. Moreover, the developed reaction conditions are also applicable for the cyclization of amino pyrazole with enaminone followed by C-H selenylation in one pot. The use of simple reagents and catalyst, wide substrate scope, mild and metal-free reaction conditions, and practical applicability are the attractive facets of this approach.
}, issn = {1144-0546}, doi = {10.1039/d3nj05847f}, author = {Choudhuri, Tathagata and Paul, Suvam and Sikdar, Papiya and Das, Sourav and Sawant, Sanghapal D. and Bagdi, Avik Kumar} } @article {49244, title = {Identification of a hidden, highly aggregation-prone intermediate of full-length TDP-43 that triggers its misfolding and amyloid aggregation}, journal = {Biochemistry}, volume = {63}, year = {2024}, month = {NOV}, pages = {3100-3113}, type = {Article}, abstract = {
In cells, TDP-43 is a crucial protein that can form harmful amyloid aggregates linked to fatal and incurable human neurodegenerative disorders. Normally, TDP-43 exists in a smaller soluble native state that prevents aggregation. However, aging and stress can destabilize this native state, leading to the formation of disease-causing amyloid aggregates via the formation of partially unfolded, high-energy intermediates with a greater tendency to aggregate. These intermediates are crucial in the early stages of amyloid formation and are challenging to study due to their low stability. Understanding the structure of these early aggregation-prone states of TDP-43 is essential for designing effective treatments for TDP-43 proteinopathies. Targeting these initial intermediates could be more effective than focusing on fully formed amyloid aggregates. By disrupting the aggregation process at this early stage, we may be able to prevent the progression of diseases related to TDP-43 aggregation. Hence, we decided to uncover the hidden, high-energy intermediates in equilibrium with the native states of TDP-43 by modulating the thermodynamic stability of the soluble native dimer (N form) and monomeric molten globular state (MG form) of full-length TDP-43. The thermodynamic modulation performed in the current study successfully revealed the highly aggregation-prone intermediate of full-length TDP-43, i.e., PUF. Moreover, we observed that along with high aggregation propensity, the aggregation kinetics and mechanisms of PUF differ from previously identified intermediates of full-length TDP-43 (the MG and I forms). The information regarding the initial aggregation-prone state of full-length TDP-43 could lead to therapies for amyloid diseases by halting early protein aggregation.
}, issn = {0006-2960}, doi = {10.1021/acs.biochem.4c00389}, author = {Doke, Abhilasha A. and Jha, Santosh Kumar} } @article {49464, title = {Immunogenicity of SARS-CoV-2 vaccines BBV152 (COVAXIN{\textregistered}) and ChAdOx1 nCoV-19 (COVISHIELD{\texttrademark}) in seronegative and seropositive individuals in India: a multicentre, nonrandomised observational study}, journal = {Lancet Regional Health - Southeast Asia}, volume = {22}, year = {2024}, month = {MAR}, type = {Article}, abstract = {
Background:\ There are limited global data on head-to-head comparisons of vaccine platforms assessing both humoral and cellular immune responses, stratified by pre-vaccination serostatus. The COVID-19 vaccination drive for the Indian population in the age group 18-45 years began in April 2021 when seropositivity rates in the general population were rising due to the delta wave of COVID-19 pandemic during April-May 2021.

Methods:\ Between June 30, 2021, and Jan 28, 2022, we enrolled 691 participants in the age group 18-45 years across four clinical sites in India. In this non-randomised and laboratory blinded study, participants received either two doses of Covaxin{\textregistered} (4 weeks apart) or two doses of Covishield{\texttrademark} (12 weeks apart) as per the national vaccination policy. The primary outcome was the seroconversion rate and the geometric mean titre (GMT) of antibodies against the SARS-CoV-2 spike and nucleocapsid proteins post two doses. The secondary outcome was the frequency of cellular immune responses pre- and post-vaccination.

Findings:\ When compared to pre-vaccination baseline, both vaccines elicited statistically significant seroconversion and binding antibody levels in both seronegative and seropositive individuals. In the per-protocol cohort, Covishield{\texttrademark} elicited higher antibody responses than Covaxin{\textregistered} as measured by seroconversion rate (98.3\% vs 74.4\%, p \< 0.0001 in seronegative individuals; 91.7\% vs 66.9\%, p \< 0.0001 in seropositive individuals) as well as by anti-spike antibody levels against the ancestral strain (GMT 1272.1 vs 75.4 binding antibody units/ml [BAU/ml], p \< 0.0001 in seronegative individuals; 2089.07 vs 585.7 BAU/ml, p \< 0.0001 in seropositive individuals). As participants at all clinical sites were not recruited at the same time, site-specific immunogenicity was impacted by the timing of vaccination relative to the delta and omicron waves. Surrogate neutralising antibody responses against variants-of-concern including delta and omicron was higher in Covishield{\texttrademark} recipients than in Covaxin{\textregistered} recipients; and in seropositive than in seronegative individuals after both vaccination and asymptomatic infection (omicron variant). T cell responses are reported from only one of the four site cohorts where the vaccination schedule preceded the omicron wave. In seronegative individuals, Covishield{\texttrademark} elicited both CD4+ and CD8+ spike-specific cytokine-producing T cells whereas Covaxin{\textregistered} elicited mainly CD4+ spike-specific T cells. Neither vaccine showed significant post-vaccination expansion of spike-specific T cells in seropositive individuals.
}, doi = {10.1016/j.lansea.2024.100361.}, author = {Asokan, Mangaiarkarasi S. and Joan, Roshni Florina and Babji, Sudhir and Dayma, Girish and Nadukkandy, Prajitha and Subrahmanyam, Vinutha and Pandey, Archana and Malagi, Girish and Arya, Pooja and Mahajan, Vibhuti and Bhavikatti, Jayateerth and Pawar, Ketakee and Thorat, Aishwarya and Shah, Priyanki and Goud, Ramakrishna B. and Roy, Bishnudeo and Rajukutty, Shon and Immanuel, Sushil and Agarwal,Dhiraj and Saha, Sankhanil and Shivaraj, Akshatha and Panikulam, Patricia and Shome, Rajeshwari and Gulzar, Shah-E-Jahan and Sharma, Anusmrithi U. and Naik, Ajinkya and Talashi, Shruti and Belekar, Madhuri and Yadav, Ritu and Khude, Poornima and V, Mamatha and Shivalingaiah, Sudarshan and Deshmukh, Urmila and Bhise, Chinmayee and Joshi, Manjiri and Inbaraj, Leeberk Raja and Chandrasingh, Sindhulina and Ghose, Aurnab and Jamora, Colin and Karumbati, Anandi S. and Sundaramurthy, Varadharajan and Johnson, Avita and Ramesh, Naveen and Chetan, Nirutha and Parthiban, Chaitra and Ahmed, Asma and Rakshit, Srabanti and Adiga, Vasista and D{\textquoteright}souza, George and Rale, Vinay and George, Carolin Elizabeth and John, Jacob and Kawade, Anand and Chaturvedi, Akanksha and Raghunathan, Anu and Dias, Mary and Bhosale, Anand and Raghu, Padinjat and Shashidhara, L. S. and yakarnam, Annapurna V. and Bal, Vineeta and Kang, Gagandeep and Mayor, Satyajit} } @article {49010, title = {Implications of natural 3'-5'- linkages in the loop region of isomeric 2'-5'-linked thrombin-binding aptamer}, journal = {Chemistryselect}, volume = {9}, year = {2024}, month = {APR }, type = {Article}, abstract = {
The backbone modification of the thrombin-binding aptamer (TBA) in the TT and TGT loop regions by isomeric 2 {\textquoteleft}-5 {\textquoteleft}-linkages was found to impose additive destabilizing effects on the thermal stability of the G-quadruplex structure. In contrast, the thermal stability of isomeric 2 {\textquoteleft}-5 {\textquoteleft}-linked TBA, i. e., isoTBA, was significantly improved by isomeric 3 {\textquoteleft}-5 {\textquoteleft}-phosphodiester linkages. The isoTBA, when modified with 3 {\textquoteleft}-5 {\textquoteleft}-linkages in both lateral TT loops (isoTBA202), exhibited higher thermal stability and enzymatic stability in comparison to other oligomers in the present study, and TBA202 showed higher antithrombin activity than other loop-modified TBA oligomers.
}, keywords = {2 {\textquoteleft}-5 {\textquoteleft}-linked-linked DNA, DNA-isoDNA chimera, isoDNA, loop-modification, thrombin-binding aptamer}, issn = {2365-6549}, doi = {10.1002/slct.202304254}, author = {Aher, Manisha and Kumar, Vaijayanti A. and Fernandes, Moneesha} } @article {49012, title = {Improved protein dynamics and hydration in the martini3 coarse-grain model}, journal = {Journal of Chemical Information and Modelling }, volume = {64}, year = {2024}, month = {JAN}, pages = {837-850}, type = {Article}, abstract = {
The Martini coarse-grain force-field has emerged as an important framework to probe cellular processes at experimentally relevant time- and length-scales. However, the recently developed version, the Martini3 force-field with the implemented Go model (Martini3Go), as well as previous variants of the Martini model have not been benchmarked and rigorously tested for globular proteins. In this study, we consider three globular proteins, ubiquitin, lysozyme, and cofilin, and compare protein dynamics and hydration with observables from experiments and all-atom simulations. We show that the Martini3Go model is able to accurately model the structural and dynamic features of small globular proteins. Overall, the structural integrity of the proteins is maintained, as validated by contact maps, radii of gyration (Rg), and SAXS profiles. The chemical shifts predicted from the ensemble sampled in the simulations are consistent with the experimental data. Further, a good match is observed in the protein-water interaction energetics, and the hydration levels of the residues are similar to atomistic simulations. However, the protein-water interaction dynamics is not accurately represented and appears to depend on the protein structural complexity, residue specificity, and water dynamics. Our work is a step toward testing and assessing the Martini3Go model and provides insights into future efforts to refine Martini models with improved solvation effects and better correspondence to the underlying all-atom systems.
}, issn = {1549-9596}, doi = {10.1021/acs.jcim.3c00802}, author = {Kharche, Shalmali and Yadav, Manjul and Hande, Vrushali and Prakash, Shikha and Sengupta, Durba} } @article {49280, title = {In silico discovery of a neutral 2π aromatic silicon aluminum compound}, journal = {Organometallics}, volume = {43}, year = {2024}, month = {JUL}, pages = {1583-1592}, type = {Article}, abstract = {
The recently developed ab initio nanoreactor (AINR) approach to identifying reaction intermediates and pathways without the necessity of experimental input has been employed in the current work to locate new cyclic silicon-based structures that have the potential to display aromaticity. Using this approach, we have identified many cyclic silicon-based molecules that have been experimentally reported over the past three decades. More importantly, the current work showcases an interesting new molecule that has been discovered through this approach: a four-membered cyclic compound of silicon and aluminum that displays significant 2 pi aromaticity and is capable of the activation of important small molecules such as ammonia.
}, issn = {0276-7333}, doi = {10.1021/acs.organomet.4c00151}, author = {Sharma, Himanshu and Vanka, Kumar} } @article {49106, title = {In situ monitoring of competitive coformer exchange reaction by 1H MAS solid-state NMR}, journal = {Molecualr Pharmaceutics}, volume = {21}, year = {2024}, month = {FEB }, pages = {1479-1489}, type = {Article}, abstract = {
In a competitive coformer exchange reaction, a recent topic of interest in pharmaceutical research, the coformer in a pharmaceutical cocrystal is exchanged with another coformer that is expected to form a cocrystal that is more stable. There will be a competition between coformers to form the most stable product through the formation of hydrogen bonds. This will cause destabilization of the pharmaceutical products during processing or storage. Therefore, it is important to develop a mechanistic understanding of this transformation by monitoring each and every step of the reaction, employing a technique such as H-1 nuclear magnetic resonance (NMR). In this study, an in situ monitoring of a coformer exchange reaction is carried out by H-1 magic angle spinning (MAS) solid-state NMR (SSNMR) at a spinning frequency of 60 kHz. The changes in caffeine maleic acid cocrystals on addition of glutaric acid and caffeine glutaric cocrystals on addition of maleic acid were monitored. In all of the reactions, it has been observed that caffeine glutaric acid Form I is formed. When glutaric acid was added to 2:1 caffeine maleic acid, the formation of metastable 1:1 caffeine glutaric acid Form I was observed at the start of the experiment, indicating that the centrifugal pressure is enough for the formation. The difference in the end product of the reactions with a similar reaction pathway of 1:1 and 2:1 reactant stoichiometry indicates that a complete replacement of maleic acid has occurred only in the 1:1 stoichiometry of the reactants. The polymorphic transition of caffeine glutaric acid Form II to Form I at higher temperatures was a crucial reason that triggered the exchange of glutaric acid with maleic acid in the reaction of caffeine glutaric acid and maleic acid. Our results are novel since the new reaction pathways in competitive coformer exchange reactions enabled understanding the remarkable role of stoichiometry, polymorphism, temperature, and centrifugal pressure.
}, keywords = {caffeine cocrystal, coformer exchange reaction, in situ monitoring, polymorphism, Solid-state NMR}, issn = {1543-8384}, doi = {10.1021/acs.molpharmaceut.3c01118}, author = {Hareendran, Chaithanya and Alsirawan, Bashir and Paradkar, Anant and Ajithkumar, T. G.} } @article {49045, title = {In situ synthesis of metal (Bi0)-semiconductor [BiOX (X = Cl, Br, and I)] nanocomposites as a highly effective catalyst for the reduction of 4-nitrophenol to 4-aminophenol}, journal = {New Journal of Chemistry }, volume = {48}, year = {2024}, month = {MAY }, pages = {9840-9855}, type = {Article}, abstract = {
The reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) has been efficiently catalyzed by in situ generated Bi-0-BiOX (X = Cl, Br, I) nanocomposites in the presence of sodium borohydride (NaBH4). The hierarchical 3D arrays of precursors (BiOCl, BiOBr, and BiOI) have been synthesized by a facile co-precipitation method at ambient temperature. The metallic Bi-0 is generated in situ by partial reduction of the Bi3+ ions in BiOX (X = Cl, Br, and I) mediated by NaBH4 during the conversion of 4-NP to 4-AP. In situ generated Bi-0-BiOX shows better catalytic activity than Bi-0-BiOX composite formed by mixing individually synthesized metallic Bi-0 particles with semiconducting BiOX nanoparticles. The Bi-0-BiOI nanocomposite demonstrated higher catalytic activity (k(app) = 0.529 min(-1)) compared to Bi-0-BiOCl (k(app) = 0.095 min(-1)) and Bi-0-BiOBr (k(app) = 0.098 min(-1)) due to its efficient conversion into metallic Bi-0. The approximate percentage composition of in situ generated metallic Bi-0 on the surface of BiOCl, BiOBr, and BiOI is nearly 10, 17, and 25\%, respectively. Further, the reduction of 4-NP has been completed within 24, 22, and 6 minutes by in situ generated Bi-0-BiOCl, Bi-0-BiOBr, and Bi-0-BiOI nanocomposites from BiOCl, BiOBr, and BiOI, respectively. Extensive studies have been conducted to generate a better understanding of the actual catalytic sites present on the surface of the catalysts.
}, issn = {1144-0546}, doi = {10.1039/d4nj01126k}, author = {Singh, Dinesh and Poddar, Pankaj} } @article {49362, title = {Indazole-5-amine (AIA) as competing corrosion coating to Benzotriazole (BTAH) at the interface of Cu: A DFT and BOMD case study}, journal = {Computational and Theoretical Chemistry}, volume = {1239}, year = {2024}, month = {SEP}, pages = {114762}, type = {Article}, abstract = {
This study compares three organic compounds-benzotriazole (BTAH), imidazole (IM), and indazole-5-amine (AIA)-as corrosion inhibitors for copper substrates. Using Density Functional Theory (DFT) and Born-Oppenheimer Molecular Dynamics (BOMD) calculations, it identifies AIA as a promising and cost-effective alternative to the toxic BTAH. The adsorption strength on Cu(1 0 0) surfaces is ranked AIA\>BTAH\>IM for both neutral and deprotonated forms. These findings are supported by electronic parameter studies, including Bader charge analysis, density of states (DOS), charge density differences (CDD), and frontier molecular orbital analysis. AIA shows the best adsorption in a parallel orientation at the top site. Packing studies reveal that hydrogen bonding stabilizes the interaction energies within self-assembled AIA aggregates. Organometallic complexation studies reveal that deprotonated BTAH exhibits higher interaction energy with a single Cu atom compared to AIA when bonded through the carbon end, consistent with the findings from BOMD studies. However, on periodic Cu surfaces, AIA outperforms BTAH molecules as seen from adsorption energies. This investigation highlights AIA{\textquoteright}s potential as a superior and more economical corrosion inhibitor for copper.
}, keywords = {Adsorption, Born-Oppenheimer molecular dynamics, Corrosion inhibition, Density functional theory, Indazole derivatives}, issn = {2210-271X}, doi = {10.1016/j.comptc.2024.114762}, author = {Samal, Pragnya Paramita and Singh, Chandrodai Pratap and Tiwari, Shivani and Shah, Vaishali and Krishnamurty, Sailaja} } @article {49264, title = {Influence of deposition potential on electrodeposited bismuth-copper oxide electrodes for asymmetric supercapacitor}, journal = {BATTERIES \& SUPERCAPS}, volume = {7}, year = {2024}, month = {JUN}, type = {Journal Article}, keywords = {Bi2CuO4, Deposition Potential, Electrodeposition, supercapacitor, thin film}, doi = {10.1002/batt.202400163}, author = {Bobade, Rushikesh G. and Dabke, Niteen B. and Shaikh, Shoyebmohamad F. and Al-Enizi, Abdullah M. and Pandit, Bidhan and Lokhande, Balkrishna J. and Ambare, Revanappa C.} } @article {49047, title = {Influence of the crystal plane orientation in enhancing the electrochemical performance of a trication-substituted cathode for Li-ion batteries}, journal = {Energy and Fuels}, volume = {38}, year = {2024}, month = {FEB}, pages = {4653-4665}, type = {Article}, abstract = {
High-voltage spinel cathodes with low nickel are promising candidates for Li-ion batteries owing to their high energy and power density, thermal stability, and eco-friendliness. However, the high operating voltage (similar to 4.7 V) leads to the decomposition of electrolytes, structural disorder, and deterioration of the cathode-electrolyte interphase (CEI) as well as hinders practical capability. We have synthesized trication-substituted spinel cathode materials with exposed (111) crystal planes and truncated octahedral shapes. These materials have demonstrated high specific discharge capacity and high rate capability up to 1000 cycles with a voltage window of 3.5-5 V. The crystal plane orientation of these materials has been investigated using X-ray diffraction of electrodes and electron microscopic studies and correlated with the electrochemical performance of the surface plane of exposed cathode materials. Among the three synthesized materials, the LMNFA2 cathode has shown a specific discharge capacity of 109.29 mAh g(-1) at 1 C after 1000 cycles with a capacity retention of 76.3\%, which is nearly equal to the previously reported dual-phase material with the same metal compositions.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.3c03794}, author = {Shivamurthy, Bogalera Papaiah and Thripuranthaka, Marulasiddappa and Shelke, Manjusha V. and Nayaka, Girish Praveen} } @article {48967, title = {Inhibition of trehalose synthesis in lepidoptera reduces larval fitness}, journal = {Advanced Biology }, volume = {8}, year = {2024}, month = {FEB}, type = {Article}, abstract = {
Trehalose is synthesized in insects through the trehalose 6-phosphate synthase and phosphatase (TPS/TPP) pathway. TPP dephosphorylates trehalose 6-phosphate to release trehalose. Trehalose is involved in metamorphosis, but its relation with body weight, size, and developmental timing is unexplored. The expression and activity of TPS/TPP fluctuate depending on trehalose demand. Thus, TPS/TPP inhibition can highlight the significance of trehalose in insect physiology. TPS/TPP transcript levels are elevated in the pre-pupal and pupal stages in Helicoverpa armigera. The inhibition of recombinantly expressed TPP by N-(phenylthio)phthalimide (NPP), is validated by in vitro assays. In vivo inhibition of trehalose synthesis reduces larval weight and size, hampers metamorphosis, and reduces its overall fitness. Insufficient trehalose leads to a shift in glucose flux, reduced energy, and dysregulated fatty acid oxidation. Metabolomics reaffirms the depletion of trehalose, glucose, glucose 6-phosphate, and suppressed tricarboxylic acid cycle. Reduced trehalose hampers the energy level affecting larval vitality. Through trehalose synthesis inhibition, the importance of trehalose in insect physiology and development is investigated. Also, in two other lepidopterans, TPP inhibition impedes physiology and survival. NPP is also found to be effective as an insecticidal formulation. Overall, trehalose levels affect the larval size, weight, and metabolic homeostasis for larval-pupal transition in lepidoptera. Inhibition of trehalose synthesis enzyme TPS/TPP is a good model to study the contribution of trehalose in attaining body weight and in larval-pupal transition. Transcriptomics and metabolomics studies reveal overall reduced energy and dysregulated glucose, protein, and fatty acid metabolism.image
}, keywords = {Lepidoptera, metabolic homeostasis, trehalose, trehalose 6-phosphate phosphatase}, issn = {2701-0198}, doi = {10.1002/adbi.202300404}, author = {Tellis, Meenakshi B. and Mohite, Sharada D. and Nair, Vineetkumar S. and Chaudhari, Bhagyashri Y. and Ahmed, Shadab and Kotkar, Hemlata M. and Joshi, Rakesh S.} } @article {49041, title = {Insights into the structure of sucralfate by advanced solid- and liquid-state NMR}, journal = {Molecualr Pharmaceutics }, volume = {21}, year = {2024}, month = {FEB }, pages = {1390-1401}, type = {Article}, abstract = {
Sucralfate, which is a sucrose octasulfate aluminum complex, is an active pharmaceutical ingredient (API) falling in the category of cytoprotective agents which are very effective for gastric and duodenal ulcers. On interaction with stomach acid, it ionizes into aluminum and sucrose octasulfate ions to form a protective layer over the ulcerated region inhibiting further attack from acid. The mechanism of action of sucralfate in the context of its structure is not well understood. Considering that at least two forms of this API are available in the market, there are no reports on the various forms of sucralfate and differences in their pharmacological action. We characterized the two forms of sucralfate using multinuclear, multidimensional solid-state NMR, and the results show significant structural differences between them arising from variation in the aluminum environment and the level of hydration. The impact of structural differences on pharmacological action was examined by studying acid-induced Al release by Al-27 liquid-state NMR. The sucralfate, European pharmaceutical standard, Form I, undergoes faster disruption in acid compared to Form II. The difference is explained on the basis of structural differences in the two forms which gives significant insights into the action of sucralfate in relation to its structure.
}, keywords = {(27)AlMQMAS, H-1-H-1 DQSQ, pharmacological action, solid-stateNMR, sucralfate}, issn = {1543-8384}, doi = {10.1021/acs.molpharmaceut.3c01042}, author = {Hareendran, Chaithanya and Ravindranathan, Sapna and Ajithkumar, T. G.} } @article {49404, title = {Insights on prussian blue analogue cathode material engineered with polypyrrole surface protection layer for aqueous rechargeable zinc metal battery}, journal = {Small}, year = {2024}, month = {NOV}, type = {Article; Early Access}, abstract = {
One of the key intricacies against using Prussian blue analogues (PBAs) in aqueous batteries is their gradual dissolution in aqueous electrolytes, resulting in inadequate cycling stability. Besides, the rate capability of PBAs is limited due to their poor electrical conductivity. To overcome these challenges, it is essential to tune the physical and chemical properties of PBAs at the nano regime without affecting the inherent charge storage properties, especially at high-voltage operating conditions. Through this work, a strategy is demonstrated to enhance the electrochemical performance of vanadium-based PBA (V-PBA) by surface engineering using a conducting polymer nano-skin (V-PBA/PPy) for aqueous zinc metal batteries. The polypyrrole (PPy) nano-skin over the V-PBA nanoparticles acts as an electron percolation path to ameliorate the poor electronic conductivity of the otherwise pristine V-PBA. Interestingly, the V-PBA with an optimized polypyrrole coating (V-PBA/PPy-2) exhibits an enhanced specific capacity (173 mAh g-1 at 0.10 A g-1) than the pristine V-PBA counterpart (80 mAh g-1) and 85\% capacity retention up to 500 cycles. The DFT calculation confirms the synergistic interaction between PPy and V-PBA and the presence of PPy favors the adsorption of Zn.
}, keywords = {aqueous rechargeable zinc metal battery, DFT, polypyrrole coating, Prussian blue analogue, surface protection layer}, issn = {1613-6810}, doi = {10.1002/smll.202409947}, author = {Puthiyaveetil, Priyanka Pandinhare and Nair, Aathira and Dilwale, Swati and Kurian, Maria and Joshi, Kavita and Kurungot, Sreekumar} } @article {49461, title = {Integrated genomic and functional analysis of Streptomyces sp. UP1A-1 for bacterial wilt control and solanaceae yield increase}, journal = {Gene Reports}, volume = {37}, year = {2024}, month = {DEC}, type = {Article}, abstract = {
Ralstonia solanacearum\ is one of the most destructive soil-borne pathogen, causing bacterial wilt to the solanaceae vegetables.\ Streptomyces\ sp. UP1A-1 isolated from healthy solanaceae rhizosphere soil, exhibited the lowest disease incidence and increased fruit yield of solanaceae vegetables. However, the genomic and functional properties of UP1A-1 are unclear. Therefore, we conducted the present study to elucidate the genomic characteristics of UP1A-1 by whole genome sequencing. The results indicate that the genome of\ Streptomyces\ sp. UP1A-1 consists of 8,252,902\ bp and contains 72.42\ \%\ G\ +\ C. We identified the genes that confer plant growth promoting (PGP) function, which include those involved in siderophore production, indole-3-acetic acid biosynthesis, phosphate solubilization, nitrogen metabolism, and potassium metabolism. We also identified several other genes, such as chitinase, peroxidase, superoxide dismutase, catalase, proline biosynthesis, and glucose dehydrogenase, which are believed to be involved in the control of wilt disease. These genes revealed that the strain UP1A-1 has physiologically adapted to varied environmental conditions and could potentially control both abiotic and biotic stresses.
}, doi = {https://doi.org/10.1016/j.genrep.2024.102012}, author = {Kaari, Manigundan and Manikkam, Radhakrishnan and Joseph, Jerrine and Krishnan, Sakthivel and Annamalai, Kishore Kumar and Khan, Abujunaid and Rajput, Vinay and Dastager, Syed Gulam and Dharne, Mahesh S. and Umar, Md and Venugopal, Gopikrishnan and Alexander, Balamurugan} } @article {49181, title = {Integrating 3,4-Dihydro-2H-1,4-oxazine into peptides as a modification: silver triflate-catalyzed cyclization of N-Propargyl N-Sulfonyl amino alcohols for SPPS applications }, journal = {Organic Letters}, volume = {26}, year = {2024}, month = {SEP}, pages = {7584-7589}, type = {Article}, abstract = {
We present a methodology yielding 3,4-dihydro-2H-1,4-oxazine by cyclization of N-propargyl N-sulfonyl amino alcohols using silver triflate as a catalyst at ambient temperature. Additionally, we showcase the applicability of this methodology in solid phase peptide synthesis (SPPS) to introduce the oxazine heterocyclic ring into short peptides containing serine and threonine. Notably, Rink amide resin supported the on-resin formation of 3,4-dihydro-2H-1,4-oxazine, while 2-CTC resin facilitated the oxazine formation in a one-pot process involving peptide cleavage, deprotection, and subsequent C-O ring formation, thus offering a versatile method for the late-stage modification of peptides.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.4c02654}, author = {Patil, Abhijit Ramchandra and Marelli, Udaya Kiran} } @article {49221, title = {Interface-centric strategies in kesterite solar cells: addressing challenges, solutions, and future directions for efficient solar-harvesting technologies}, journal = {SMALL}, volume = {20}, year = {2024}, month = {DEC}, type = {Review}, keywords = {band engineering, Defects, interface loss mechanism, kesterites, recombination control, solar energy}, issn = {1613-6810}, doi = {10.1002/smll.202402048}, author = {Jagadish, Kusuma and Rahane, Ganesh K. and Kumar, Boddeda Sai and Borkar, Durgesh R. and Chordiya, Kalyani and Kavanagh, Sean R. and Roy, Anurag and Debnath, Tushar and Kolekar, Sadhu and Kahaly, Mousumi Upadhyay and Mali, Sawanta S. and Pal, Shovon and Gasparini, Nicola and Dubal, Deepak P. and Rondiya, Sachin R.} } @article {49273, title = {Interlayer space engineering-induced pseudocapacitive zinc-ion storage in holey graphene oxide-bearing vertically oriented MoS2 nano-wall array cathode for aqueous rechargeable Zn metal batteries}, journal = {Small}, volume = {20}, year = {2024}, month = {DEC}, type = {Article}, abstract = {
Transition metal dichalcogenides, particularly MoS2, are acknowledged as a promising cathode material for aqueous rechargeable zinc metal batteries (ARZMBs). Nevertheless, its lack of hydrophilicity, poor electrical conductivity, significant restacking, and restricted interlayer spacing translate into inadequate capacity and rate performance. Herein, the unique porous structure and additional functional groups present in holey graphene oxide (hGO) are taken advantage of to dictate the vertical growth pattern of oxygen-doped MoS2 nanowalls (O-MoS2/NW) over the hGO surface. Compared to conventional graphene oxide (GO), the presence of nano-pores in hGO facilitates the homogeneous dispersion of Mo precursors and provides stronger interaction sites, promoting the uniform vertical alignment of O-MoS2/NW. The synergistic interaction between O-MoS2-NW and hGO translates to enhanced electron conductivity, efficient electrolyte penetration, enhanced interlayer spacing, reduced restacking, and enhanced surface area. As a consequence of precise control of various factors that decide the overall battery performance, a high discharge capacity (227 mAh g(-1) at 100 mA g(-1)) cathode material with significantly lower charge transfer resistance (66 Omega) compared to pristine O-MoS2 (153 Omega) is developed. These findings underscore the potential of hGO as a multifunctional platform for nanoengineering high-performance cathode materials for the next generation of efficient and durable ARZMBs.
}, keywords = {aqueous rechargeable zinc metal battery, holey graphene oxide, hydrophilicity tuning, interlayer space engineering, oxygen-doped MoS2, transition metal dichalcogenide, vertical nanowall}, issn = {1613-6810}, doi = {10.1002/smll.202406926}, author = {Babu, Athira and Dilwale, Swati and Kurungot, Sreekumar} } @article {49098, title = {Intertwining of localized (d) and delocalized (π) spins in magnetically frustrated two-dimensional metal-organic frameworks}, journal = {Inorganic Chemistry}, volume = {63}, year = {2024}, month = {FEB}, pages = {3675-3681}, type = {Article}, abstract = {
Two-dimensional metal-organic frameworks (2D MOFs) are emerging as a new class of multifunctional materials for diversified applications, although magnetic properties have not been widely explored. The metal ions and organic ligands in some of the 2D MOFs are arranged in the well-known Kagome lattice, leading to geometric spin frustration. Hence, such systems could be the potential candidates to exhibit an exotic quantum spin liquid (QSL) state, as was observed in Cu-3(HHTP)(2) (HHTP = hexahydroxytriphenylene), with no magnetic transition down to 38 mK. Hereto, we have investigated the spin intertwining in a bimetallic 2D MOF system, M-3(HHTP)(2) (M = Cu/Zn)(,) arising from the localized (d-electron) and delocalized (pi-electron) S = 1/2 spins from the Cu(II) ions and the HHTP radicals, respectively. The origin of the spin frustration (down to 5K) was critically examined by varying the metal composition in bimetallic systems, CuxZn3-x(HHTP)(2) (x = 1, 1.5, 2), containing both S = 1/2 and S = 0 spins. Additionally, to gain a deeper understanding, we studied the spin interaction in the pristine Zn-3(HHTP)(2) system containing only S = 0 Zn(II) ions. In view of the quantitative estimate of the localized and delocalized spins, the d-pi spin correlation appears essential in understanding the unusual magnetic and/or other physical properties of such hybrid organic-inorganic 2D crystalline solids
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.3c03247}, author = {Ugale, Ajay and Ninawe, Pranay and Jain, Anil and Sangole, Mayur and Mandal, Rimpa and Singh, Kirandeep and Ballav, Nirmalya} } @article {49065, title = {Intramolecular nitrone interrupted click reaction}, journal = {Organic Letters }, volume = {26}, year = {2024}, month = {MAR }, pages = {2233-2237}, type = {Article}, abstract = {
We document the intramolecular interception of a Cu-catalyzed azidoalkyne cycloaddition employing a suitably placed nitrone group, providing a simple route to the unprecedented spiro-polyheterocyclic scaffold. The reaction is comprised of a Cu-catalyzed [3 + 2]-cycloaddition of (2-azidoaryl)isatogen with a terminal alkyne and the intramolecular trapping of the transient Cu-triazolide intermediate with the isatogen, with a net formation of one C-C and two C-N bonds and the new heterocyclic ring being spiro-annulated.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.4c00397}, author = {Pothi, Tejas A. and Ramana, Chepuri V.} } @article {49450, title = {Investigation of cathinone analogs targeting human dopamine transporter using molecular modeling}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2024}, month = {MAY}, type = {Article}, abstract = {
In a step towards understanding the structure{\textendash}property relationship among Synthetic Cathinones (SCs), a combined methodology based on Density Functional Theory (DFT), Administration, Distribution, Metabolism, Excretion, and Toxicity (ADMET) predictions, docking and molecular dynamics simulations have been applied to correlate physicochemical descriptors of various SCs to their biological activity. The results from DFT and molecular docking studies correlate well with each other explaining the biological activity trends of the studied SCs. Quantum mechanical descriptors viz. polarizability, electron affinity, ionization potential, chemical hardness, electronegativity, molecular electrostatic potential, and ion interaction studies unravel the distinguishingly reactive nature of Group D (pyrrolidine substituted) and Group E (methylenedioxy and pyrrolidine substituted) compounds. According to ADMET analysis, Group D and Group E molecules have a higher probability of permeating through the blood{\textendash}brain barrier. Molecular docking results indicate that Phe76, Ala77, Asp79, Val152, Tyr156, Phe320, and Phe326 constitute the binding pocket residues of hDAT in which the most active ligands MDPV, MDPBP, and MDPPP are bound. Finally, to validate the derived quantum chemical descriptors and docking results, Molecular Dynamics (MD) simulations are performed with homology-modelled hDAT (human dopamine transporter). The MD simulation results revealed that the majority of SCs remain stable within the hDAT protein{\textquoteright}s active sites via non-bonded interactions after 100 ns long simulations. The findings from DFT, ADMET analysis, molecular docking, and molecular dynamics simulation studies complement each other suggesting that pyrrolidine-substituted SCs (Group D and E), specifically, MPBP and PVN are proven potent SCs along with MDPV, validating various experimental observations.
}, doi = {https://doi.org/10.1080/07391102.2024.2335303}, author = {Shivankar, Bhavana R. and Bhandare, Vishwambhar Vishnu and Joshi, Krati and Patil. Vishal S. and Dhotare, Priyanka Shrikant and Sonawane, Kailas Dasharath and Krishnamurty, Sailaja} } @article {49073, title = {Investigation of structural and morphological insights of nanostructured layered double hydroxides: catalytic activity in aldol condensation}, journal = {Journal of Porous Materials }, volume = {31}, year = {2024}, month = {APR}, pages = {759-778}, type = {Article}, abstract = {
Layered double hydroxides (LDHs) materials finds extensive applications in numerous fields such as medical science, industrial sector, agriculture and food, catalysis, polymers, nanotechnology, etc. The LDHs properties (structural, textural, morphological, spectroscopic and theoretical insights) can be design for achieving required materials for particular application in scientific areas. In the current investigation, we have synthesized mesoporous nanostructured LDHs materials via microwave, sonication and stirring method. The nanostructured LDHs was scientifically characterized by various physico-chemical techniques like XRD, N2 sorption, TGA, solid state one-dimensional 27Al magic angle spinning NMR spectroscopy, XPS, Raman Spectroscopy, FT-IR, ICP-OES, Electron Microscopy (SEM, FE-SEM, TEM and HR-TEM), EDX, elemental analysis, etc. On the basis of experimental study, it can be evidently witnessed that nanostructured LDHs materials was formed with good crystalline mesoporous nature. Solid state 27Al NMR showed single and sharp 27Al NMR signal at chemical shift value of + 1.4 ppm, strongly suggesting the presence of octahedral (Oh) AlO6 coordination site in all as-synthesized LDHs. Microwave and sonication techniques furnishes regularly dispersed well-developed flower-shaped nanocrystals however, stirring method gives mostly agglomerated nano-sized platelets. The mechanistic insights for the fabrication of nanostructures LDHs via microwave, sonication and stirring process were also highlighted. The different LDHs materials were utilized in the aldol condensation reaction of furfural with acetone for understanding structure-activity correlation. Microwave and sonication methodologies can be further exploited for the synthesis of many other inorganic-organic nanocomposites materials with stable and good dispersion of nanocrystals in addition to desired morphology and catalytic activity.
}, keywords = {Aldol condensation, catalysis, Flower-shaped nanocrystals, layered double hydroxides, Microwave and sonication techniques, Nanostructured materials}, issn = {1380-2224}, doi = {10.1007/s10934-023-01545-w}, author = {Bhagat, Shailesh K. and Nagpure, Atul S. and Lanjewar, Mamata R. and Gode, Nilesh G. and Thakare, Sanjay R.} } @article {49368, title = {Ionic liquid assisted green synthesis of quinoxaline based bisspirooxindoles: anticancer evaluation and molecular dynamics}, journal = {CHEMISTRYSELECT}, volume = {9}, year = {2024}, month = {NOV}, pages = {e202403608}, type = {Journal Article}, keywords = {Cycloaddition, spirooxindoles}, issn = {2365-6549}, doi = {10.1002/slct.202403608}, author = {Kanchrana, Madhu and Krishna, Gamidi Rama and Dey, Biswajit and Pandey, Nandita and Guru, Santosh Kumar and Sangolkar, Akanksha Ashok and Pawar, Ravinder and Basavoju, Srinivas} } @article {49331, title = {Iron in organometallic transformations: a sustainable substitute for noble metals}, journal = {ChemCatChem}, volume = {16}, year = {2024}, month = {OCT }, type = {Review}, abstract = {
Transition metal catalysis plays a pivotal role in chemical synthesis. Noble metals often grab significant attention in organometallic catalysis due to their high reactivity. However, the serious issues associated with these metals such as low abundance, toxicity, geopolitical limitations, and volatile prices are driving the scientific community to discover sustainable alternatives. In this context, iron appears to be the first choice as an alternative metal due to its unique properties, including a range of stable oxidation states, Lewis acidity, high abundance in the earth{\textquoteright}s crust, and low toxicity. Over the past two decades, substantial progress has been made in iron catalysis. This overview examines the recent developments in iron-catalyzed industrially relevant transformations such as hydroformylation, olefin isomerization, hydrosilylation, hydrophosphination, carbonylation, Wacker-type oxidation, and plastic depolymerization. As witnessed throughout this review, the performance of iron can be significantly altered by suitable ligand selection and by tailoring the electronic and steric properties of the iron center. While noble metals remain the industry work-horse, iron is inching closer and with extensive scientific understanding, it may replace noble metals in the near future. Late transition metals catalyze several reactions and have been the industry work-horse for decades. While, earth abundant metals are rarely used in industrially relevant transformations. In this overview, we examine the recent development in iron-catalyzed industrially relevant reactions such as hydroformylation, olefin isomerization, hydrosilylation, hydrophosphination, carbonylation, Wacker-type oxidation, and plastic depolymerization. Iron is inching closer and may replace noble metals in near future. image
}, keywords = {Alkene Isomerization, alkyne, Carbonylation, depolymerization, Hydrophosphination, Hydrosilylation, iron catalysis}, issn = {1867-3880}, doi = {10.1002/cctc.202400756}, author = {Kumar, Rohit and Tewari, Tanuja and Chikkali, Samir H.} } @article {49251, title = {Iron salicylaldehydate conjugated metal-organic framework for quasi solid-state supercapacitor}, journal = {CHEMICAL ENGINEERING JOURNAL}, volume = {496}, year = {2024}, month = {SEP }, type = {Journal Article}, keywords = {Carbon, conductivity, ELECTROLYTE CONCENTRATION, performance, ROBUST}, issn = {1385-8947}, doi = {10.1016/j.cej.2024.153589}, author = {Mohammed, Abdul Khayum and Pandikassala, Ajmal and Sanchez, Pilar Pena and Gaber, Safa Abdullah and Canossa, Stefano and Kurian, Maria and Xavier, Gigi and He, Yao and Gandara, Felipe and Kurungot, Sreekumar and Shetty, Dinesh} } @article {49366, title = {Iron-catalyzed C-C and C-N bond-forming tandem amidation offering access to 3-amino-3-aminomethyl-2-oxindole frameworks}, journal = {Advanced Synthesis \& Catalysis}, volume = {366}, year = {2024}, month = {JUN }, pages = {2801-2810}, type = {Article}, abstract = {
An iron-catalyzed protocol for the synthesis of 3-amino-3-aminomethyl-2-oxindole heterocyclic structures is disclosed employing isatins and non-nucleophilic N-methoxybenzamides. This reaction class is associated with broad scope and tolerates numerous functionalities, such as fluoro, chloro, bromo, iodo, trifluoromethyl, nitrile, ester, ether, and alkenyl, including heteroaryl - thiophene, benzothiophene, carbazolyl, indolyl, eugenol, and polycyclic cholesterol moieties. Detailed mechanistic investigations reveal that the reaction proceeds via iron-catalyzed N-O bond cleavage in N-methoxybenzamides, generating formaldehyde and benzamide, and through the intermediacy of isatin-ketimines and N-(hydroxymethyl)benzamides. Overall, this amidation reaction involves one C-C and two C-N bond-forming tandem processes, providing a range of beta-amino-aminomethyl-oxindoles (45 examples) in up to 88\% yields. image
}, keywords = {benzamide, iron, Isatin, tandem amidation, tetrasubstituted carbon stereocenter}, issn = {1615-4150}, doi = {10.1002/adsc.202400216}, author = {Ankade, Shidheshwar B. and Pradhan, Chandini and Samal, Pragnya Paramita and Gonnade, Rajesh G. and Krishnamurty, Sailaja and Punji, Benudhar} } @article {49017, title = {Iron-catalyzed (E)-selective hydrosilylation of alkynes: scope and mechanistic insights}, journal = {Catalysis Science and Technology}, volume = {14}, year = {2024}, month = {MAY}, type = {Article}, abstract = {
Iron-catalyzed hydrosilylation of internal alkynes has been rarely reported. Even in these rare cases, additives have been used for the success of the reaction, which often creates a problem for the functional group tolerance of the reaction. Herein, we report an additive-free iron-catalyzed (E)-selective hydrosilylation of internal alkynes in the presence of a phosphine ligand. A low-valent Fe(0) complex [Fe(CO)(3)(BDA)] {[Fe-1]} catalyzed the hydrosilylation of alkynes at 60 to 120 degrees C, exhibited a broad substrate (24 substrates) scope and tolerated different functional groups. The synthetic utility of the reaction was demonstrated by a gram scale experiment, preparing alkenes, and by chemo-selective hydrosilylation. The modus operandi of the reaction has been investigated by i) homogeneity test, ii) radical trapping experiments, iii) X-ray photoelectron spectroscopy, and iv) by preparing a Fe(II) complex as catalyst control. These mechanistic investigations revealed a two-electron pathway for the hydrosilylation of alkynes. In addition, kinetic investigations were undertaken to shed light on the rates of the reaction. Kinetic studies suggest the absence of an induction period, and the reaction is first order with respect to the concentration of iron catalyst [Fe-1] and zeroth order with respect to the substrate (alkyne). The Hammett plot suggests that strongly electron-withdrawing groups on the alkyne favour the hydrosilylation reaction. Meanwhile Eyring analysis suggests that the rate-determining step likely involves an associative pathway. Based on the findings of the mechanistic and kinetic investigation, a plausible Chalk-Harrod-type mechanism is likely to be operative. The proposed mechanism is substantiated by computational investigations, which suggested that the Chalk-Harrod mechanism is kinetically more favored by 15.8 kcal mol(-1) over the modified Chalk-Harrod mechanism.
}, issn = {2044-4753}, doi = {10.1039/d3cy01775c}, author = {Sen, Anirban and Tewari, Tanuja and Kumar, Rohit and Vinod, C. P. and Sharma, Himanshu and Vanka, Kumar and Chikkali, Samir H.} } @article {49255, title = {Kinetic H2S/CO2 selectivity in an exceptionally sterically hindered amine membrane}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {12}, year = {2024}, month = {OCT }, pages = {29138-29144}, type = {Journal Article}, keywords = {Absorption, COMPOSITE MEMBRANES, GAS STREAMS, H2S, Thin-Film}, issn = {2050-7488}, doi = {10.1039/d4ta04997g}, author = {Rao, Shraavya and Deng, Xuepeng and Zou, Changlong and Prasad, Babul and Han, Yang and Lin, Li-Chiang and Ho, W. S. Winston} } @article {49050, title = {Kinetic model of hydrogenation of glucose to sorbitol on a Ni/Bentonite catalyst}, journal = {Industrial and Engineering Chemistry Research}, volume = {63}, year = {2024}, month = {MAR }, pages = {4771-4781}, type = {Article}, abstract = {
In the present work, we studied the hydrogenation of glucose to sorbitol using a nickel/bentonite catalyst. The Ni/bentonite catalyst was prepared by the wet impregnation method and characterized by different methods to understand the catalyst surface morphology, surface area, metal content, pore size, etc. Different reaction parameters such as temperature, hydrogen pressure, metal loading, catalyst loading, and agitation speed were studied to achieve a glucose conversion of 96.8\% and a sorbitol selectivity of 95.3\%. The reusability test was performed to examine the stability of the catalyst. The kinetic models such as the Eley-Rideal and Langmuir-Hinshelwood-Hougen-Watson models were used to study the hydrogenation of glucose and activation energy required for the reaction.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c03808}, author = {Pandya, Harmitkumar and Vinod, Chathakudath Prabhakaran and Rathod, Virendra and Kantam, Mannepalli Lakshmi} } @article {49208, title = {La-Fe-O perovskite based gas sensors: recent advances and future challenges}, journal = {ACS OMEGA}, volume = {9}, year = {2024}, month = {JUL }, pages = {29994-30014}, type = {Review}, keywords = {ASSISTED SYNTHESIS, ETHANOL SENSING CHARACTERISTICS, LAFEO3 NANOPARTICLES}, issn = {2470-1343}, doi = {10.1021/acsomega.4c00334}, author = {Patil, Suraj S. and Babar, Bapuso M. and Nadargi, Digambar Y. and Shaikh, Faiyyaj I. and Nadargi, Jyoti D. and Sankapal, Babasaheb R. and Mulla, Imtiaz S. and Tamboli, Mohaseen S. and Truong, Nguyen Tam Nguyen and Suryavanshi, Sharad S.} } @article {48938, title = {Lanthanide mimicking by magnesium for oxazolidinone synthesis}, journal = {Chemistry- a european journal}, volume = {30}, year = {2024}, month = {JAN }, type = {Article}, abstract = {
In the last decade, magnesium complexes have emerged as a viable alternative to transition-metal catalysts for the hydrofunctionalization of unsaturated bonds. However, their potential for advanced catalytic reactions has not been thoroughly investigated. To address this gap, we have developed a novel magnesium amide compound (3) using a PNP framework that is both bulky and flexible. Our research demonstrates that compound 3 can effectively catalyze the synthesis of biologically significant oxazolidinone derivatives. This synthesis involves a tandem reaction of hydroalkoxylation and cyclohydroamination of isocyanate using propargyl alcohol. Furthermore, we conducted comprehensive theoretical calculations to gain insights into the reaction mechanism. It is important to note that these types of transformations have not been reported for magnesium and would significantly enhance the catalytic portfolio of the 7th most abundant element. A monomeric magnesium compound was employed as a catalyst for the cascade cyclization of propargylic alcohol and isocyanate, resulting in the formation of pharmaceutically significant oxazolidinone derivatives. This transformation, previously attributed solely to transition metals or lanthanides, signifies a noteworthy advancement.image
}, keywords = {catalysis, Magnesium, oxazolidinone, pincer ligand, Sustainability}, issn = {0947-6539}, doi = {10.1002/chem.202303478}, author = {Kumar, Rohit and Mahata, Biplab and Gayathridevi, S. and Raj, K. Vipin and Vanka, Kumar and Sen, Sakya S.} } @article {49463, title = {Lead-free Cs2AgBiCl6 double perovskite: experimental and theoretical insights into the self-trapping for optoelectronic applications}, journal = {ACS Physical Chemistry Au}, volume = {4}, year = {2024}, month = {JUL}, pages = {476{\textendash}489}, type = {Article}, abstract = {
Lead-free double perovskites (DPs) will emerge as viable and environmentally safe substitutes for Pb-halide perovskites, demonstrating stability and nontoxicity if their optoelectronic property is greatly improved. Doping has been experimentally validated as a powerful tool for enhancing optoelectronic properties and concurrently reducing the defect state density in DP materials. Fundamental understanding of the optical properties of DPs, particularly the self-trapped exciton (STEs) dynamics, plays a critical role in a range of optoelectronic applications. Our study investigates how Fe doping influences the structural and optical properties of Cs2AgBiCl6\ DPs by understanding their STEs dynamics, which is currently lacking in the literature. A combined experimental{\textendash}computational approach is employed to investigate the optoelectronic properties of pure and doped Cs2AgBiCl6\ (Fe{\textendash}Cs2AgBiCl6) perovskites. Successful incorporation of Fe3+\ ions is confirmed by X-ray diffraction and Raman spectroscopy. Moreover, the Fe{\textendash}Cs2AgBiCl6\ DPs exhibit strong absorption from below 400 nm up to 700 nm, indicating sub-band gap state transitions originating from surface defects. Photoluminescence (PL) analysis demonstrates a significant enhancement in the PL intensity, attributed to an increased radiative recombination rate and higher STE density. The radiative kinetics and average lifetime are investigated by the time-resolved PL (TRPL) method; in addition, temperature-dependent PL measurements provide valuable insights into activation energy and exciton{\textendash}phonon coupling strength. Our findings will not only deepen our understanding of charge carrier dynamics associated with STEs but also pave the way for the design of some promising perovskite materials for use in optoelectronics and photocatalysis.
}, doi = {https://doi.org/10.1021/acsphyschemau.4c00008}, author = {Rahane, Swati N. and Rahane, Ganesh K. and Mandal, Animesh and Jadhav, Yogesh and Godha, Akshat and Rokade, Avinash and Shah, Shruti and Hase, Yogesh and Waghmare, Ashish and Saykar, Nilesh G. and Roy, Anurag and Salgaonkar, Kranti N. and Dubal, Deepak and Makineni, Surendra K. and Dzade, Nelson Y. and Jadkar, Sandesh R. and Rondiya, Sachin R.} } @article {49405, title = {Lead-free low-dimensional tetraalkylammonium manganese- and copper-based hybrid organic{\textendash}inorganic perovskites for visual fluorometric Pb2+ ion detection}, journal = {ACS Applied Optical Materials}, volume = {2}, year = {2024}, month = {JUL}, pages = {1533{\textendash}1545}, type = {Article}, abstract = {
For the first time, we have synthesized lead (Pb)-free manganese (Mn)- and copper (Cu)-based hybrid organic{\textendash}inorganic perovskite (HOIP) compounds, compound\ 1, (TEA)2MnBr4, compound\ 2, (TBA)2MnBr4, compound\ 3, (TEA)2CuBr4, and compound\ 4, (TBA)CuBr2\ (where TEA is tetraethylammonium and TBA is tetrabutylammonium), under ambient conditions via mechanochemical synthesis methodology using a Kakuhunter-made planetary mixer. The compounds are characterized as 2D except for (TBA)CuBr2, which has crystallized in the 0D lattice. The synthesized compounds are phase pure and show a stable solid-state emission at room temperature. The Mn-based perovskite compound\ 1\ showed excellent environmental photostability for over a month and reasonable stability under a relative humidity of 70{\textendash}80\%. The nanoparticle (NP) dispersions of compounds\ 1\ and\ 2\ were used further for fluorescence titration studies using various heavy metal cations, including transition metals and lanthanides (e.g., Y3+, Nb3+, Co2+, Ni2+, Ag+, Zn2+, Cd2+, Pb2+, Gd3+, and Dy3+), where they showed good fluorescence switching by the Pb2+\ ion. Compound\ 1\ demonstrated excellent fluorescence switching performance with Pb2+\ titration with a Pb2+\ detection limit of 2.43 {\texttimes} 10{\textendash}8\ M and hence can be used to fabricate a Pb2+\ calorimetric sensor. A preliminary visual thin film-based sensor using NPs of compound\ 1\ was fabricated to test the change in emission from blue to green in correlation with the results obtained in the NP solution during Pb2+\ ion sensing. A fascinating in situ ion-exchange-based mechanism for the sensitivity of NPs of compound\ 1\ is confirmed. This study reveals the ability of Pb-free Mn-based HOIPs to detect an oxidizing metal cation, Pb2+, efficiently and quantitatively.
}, doi = {10.1021/acsaom.4c00182}, url = {https://pubs.acs.org/doi/10.1021/acsaom.4c00182}, author = {Kour, Prachi and Sahu, Pragati and Dambhare, Neha V. and Rath, Arup Kumar and Mukherjee, Shatabdi Porel} } @article {49384, title = {Leveraging machine learning to dissect role of combinations of amino acids in modulating the effect of zinc on mammalian cell growth}, journal = {BIOTECHNOLOGY PROGRESS}, volume = {40}, year = {2024}, month = {MAY}, type = {Journal Article}, keywords = {Absorption, Cytotoxicity, ENTEROCYTES, HISTIDINE}, issn = {8756-7938}, doi = {10.1002/btpr.3436}, author = {Pandey, Ujjiti and Madhugiri, Indrani and Gadgil, Chetan and Gadgil, Mugdha} } @article {49261, title = {Ligand isomerization driven electrocatalytic switching}, journal = {ANGEWANDTE CHEMIE-INTERNATIONAL EDITION}, volume = {63}, year = {2024}, month = {JUL}, type = {Journal Article}, keywords = {Catalysts, CO2 reduction, O-2 REDUCTION, oxygen reduction}, issn = {1433-7851}, doi = {10.1002/anie.202405664}, author = {Kottaichamy, Alagar Raja and Nazrulla, Mohammed Azeezulla and Parmar, Muskan and Thimmappa, Ravikumar and Devendrachari, Mruthyunjayachari Chattanahalli and Vinod, Chathakudath Prabhakaran and Volokh, Michael and Kotresh, Harish Makri Nimbegondi and Shalom, Menny and Thotiyl, Musthafa Ottakam} } @article {49015, title = {Ligand-free MnBr2-catalyzed chemo- and stereoselective hydroboration of terminal alkynes}, journal = {Chemistry-an asian jounrnal}, volume = {19}, year = {2024}, month = {MAY}, type = {Article}, abstract = {
Developing simple and benign protocols for synthesizing alkenylboronates is crucial as they are synthetically valuable compounds in various organic transformations. In this work, we report a straightforward ligand-free protocol for synthesizing alkenylboronates via atom-economical hydroboration of alkynes with HBpin catalyzed by a manganese salt. The reaction shows a high level of chemo and regioselectivity for the terminal alkynes and exclusively produces E-selective alkenylboronates. The hydroboration scope is vast, with the resilience of a range of synthetically beneficial functionalities, such as halides, ether, alkenyl, silyl and thiophenyl groups. This reaction proceeds through the involvement of a metal-hydride intermediate. The developed alkenylboronate can be smoothly converted to useful C-C, C-N and C-I bond-forming reactions.
}, keywords = {alkenylboronates, alkyne, Hydroboration, manganese, stereoselectivity}, issn = {1861-4728}, doi = {10.1002/asia.202400158}, author = {Pawar, Rameshwar B. and Karmur, Mital H. and Punji, Benudhar} } @article {49640, title = {Lignocellulosic biomass analysis: acidic lignin recovery, characterisation, and depolymerisation}, journal = {Biomass Conversion and Biorefinery}, volume = {14}, year = {2024}, month = {FEB}, pages = {5239-5249}, type = {Article}, abstract = {
For the development of an effective lignocellulosic biomass conversion technology to biofuels and chemicals, the biomass composition analysis and their properties need to be characterised prior to biomass valorisation, including polysaccharide hydrolysis and lignin depolymerisation. In this work, a facile colorimetric titration method for the quantification of alpha-, beta-, and gamma-cellulose, pentosan, lignin, and silica percentages of wheat straw (WS) and two bagasse (BG I and II) samples was done. The result showed higher amounts of structural biopolymers (i.e. holocellulose and lignin (similar to 89.3\%)) in BG compared to WS (81\%) sample. Lignin recovery from BG (I and II) and WS samples was done by applying two-stage concentrated and dilute sulphuric acid hydrolysis, and maximum recovery (i.e. 21.5\%; acid soluble +insoluble) of lignin obtained from BG II sample. Elemental and composition analysis results were represented substantial differences in lignin properties, including higher heat values (19.8 MJkg(-1)) of recovered lignin from BG II as well as high amounts of silica percentage from WS lignin. An intense Si-O-Si asymmetric stretching mode and/or C-O-C aliphatic aromatic ether (similar to 1100 cm(-1)) was characterised for lignin derived from WS. C-13 CP-MAS NMR exhibited variable intensities for dibenzodioxocin, spirodienone, and tricin moieties in recovered lignin samples. These lignin samples were processed for depolymerisation using homogeneous (1-methyl-3-(3-sulphopropyl)-imidazolium hydrogen sulphate) and heterogeneous (immobilised Bronsted acidic ionic liquid) catalysts to lower molar mass aromatic fractions and represented 89\% and 92\% organic solvent-soluble product yields respectively from WS-derived lignin.
}, keywords = {bagasse, Dibenzodioxocin, Holocellulose, Lignin depolymerisation, Spirodienone, Tricin, Wheat straw}, issn = {2190-6815}, doi = {10.1007/s13399-022-02705-9}, author = {Singh, Sandip K. and Matsagar, Babasaheb M. and Dhepe, Paresh L.} } @article {49296, title = {Linear poly(lactic acid) ionomers with pendant ionic groups}, journal = {New Journal of Chemistry}, volume = {48}, year = {2024}, month = {DEC}, pages = {20304-20316}, type = {Article}, abstract = {
Although PLA is widely used, melt processing of this polymer is still a challenging task. In our efforts to improve the melt strength and processability of PLA, we report the synthesis of high molecular weight linear PLA ionomers. PLA copolymers (CP1-CP3) with pendant alkyne groups were synthesized by reacting L-lactide with propargylated lactide. The existence of copolymers with alkyne groups was unambiguously demonstrated, and the percentage of alkyne was found to be 3-7\%. A click reaction protocol was developed to treat the resultant alkyne functionalized copolymers (CP1-CP3) with mercaptosuccinic acid (MSA) and pendant carboxylic acid group functionalized copolymers (CP1-MSA1 to CP3-MSA3) were obtained. The 1-2D NMR confirmed the formation of a major MSA bis-addition product, along with a minor mono-addition product. In the final step, the MSA functionalized copolymers were treated with sodium hydride (NaH) to obtain the corresponding linear PLA ionomers (CP1-MSA1-Na1 to CP3-MSA3-Na3). Significant improvement in thermal and melt rheological properties was observed in these ionomers, as compared to the precursor copolymer and unmodified PLA, due to the microstructural changes caused by the association of the ionic groups. Storage modulus (G {\textquoteleft}) and loss modulus (G {\textquoteleft}{\textquoteright}) values showed a substantial increase in melt elasticity of the ionomers with G {\textquoteleft} \> G {\textquoteleft}{\textquoteright}, whereas the unmodified PLA melt behaved like a viscoelastic liquid. Detailed investigation reveals that incorporating pendant ionic groups in a high molecular weight linear PLA remarkably enhances the elastic modulus from 10 to 100 000 Pa (four orders of magnitude).
}, issn = {1144-0546}, doi = {10.1039/d4nj04170d}, author = {Joseph, Seena and Menon, Abhijith Hari and Lele, Ashish K. and Chikkali, Samir H.} } @article {49641, title = {LsBOS utilizes oxalyl-CoA produced by LsAAE3 to synthesize β-ODAP in grass pea}, journal = {Nature Communications}, volume = {15}, year = {2024}, month = {AUG}, pages = {6715}, type = {Article}, doi = {10.1038/s41467-024-50703-4}, author = {Goldsmith, Moshe and Avram, Liat and Brandis, Alexander and Mehlman, Tevie and Ben-Dor, Shifra and Peleg, Yoav and Ben-Zeev, Efrat and Barbole, Ranjit S. and Reich, Ziv} } @article {49200, title = {Macrocyclic peptides derived from AcPHF6*and AcPHF6 to selectively modulate the Tau aggregation}, journal = {Bioorganic Chemistry}, volume = {151}, year = {2024}, month = {OCT}, pages = {107625}, type = {Article}, abstract = {
Ten macrocyclic peptides, each comprising 14 amino acids, were designed and synthesized based on the Tau aggregation model hexapeptides AcPHF6* and AcPHF6. The design took into account the aggregation tendencies of each residue in AcPHF6* and AcPHF6, their aggregation models, while employing peptide-based structural design principles including N-methylation to promote turns and to block hydrogen bond propagation and elongation of the aggregation chain. NMR analysis supported that all these peptides adopted an antiparallel beta-sheet conformation. Self-aggregation studies characterized the aggregation properties of these peptides, identifying two peptides with the highest (P3) and lowest (P8) aggregation tendencies. In cross-aggregation studies with the parent peptides AcPHF6* and AcPHF6, P3 and P8 were found to promote and reduce aggregation, respectively. Furthermore, P3 and P8 demonstrated an enhancement and diminution effect on the aggregation of K18wt, indicating their capacity to modulate aggregation even at the macromolecular level. Thus, the two simple peptides, P3 and P8 selectively exhibit pro- or anti-aggregation effects on PHF peptides and Tau. This study, has thus developed structurally well-defined non-complex peptides, derived from AcPHF6* and AcPHF6, to modulate Tau aggregation as desired, offering applications in Tau model studies and the development of Tau aggregation inhibitors or promoters.
}, keywords = {Cyclic peptides, Peptide -based drug design (PBDD), Peptide conformation, PHF peptides, Tau Aggregation}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2024.107625}, author = {Dangi, Abha and Qureshi, Tazeen and Chinnathambi, Subashchandrabose and Marelli, Udaya Kiran} } @article {49336, title = {Magnetic chemiresistive Fe-doped In2O3 nanocubes to Tunably detect NO2 at ppm to ppb concentrations}, journal = {ACS APPLIED NANO MATERIALS}, volume = {7}, year = {2024}, month = {JUN }, pages = {14331-14343}, type = {Journal Article}, keywords = {GAS-SENSING PROPERTIES, METAL-OXIDE NANOSTRUCTURES}, doi = {10.1021/acsanm.4c01795}, author = {Rudra, Pratyasha and Dambhare, Neha V. and Srihari, Velaga and Das, Sagnik and Rath, Arup Kumar and Saha, Debdulal and Mondal, Swastik} } @article {49322, title = {Manganese-catalyzed chemoselective direct hydrogenation of α,β-epoxy ketones and α-ketoamides at room temperature}, journal = {Advanced Synthesis \& Catalysis}, volume = {366}, year = {2024}, month = {AUG}, pages = {3338-3345}, type = {Article}, abstract = {
Chemoselective hydrogenation of alpha,beta-epoxy ketones and alpha-ketoamides is achieved at room temperature (25 degrees C) using 2.0 bar H-2 and a pincer-ligated Mn(I) catalyst that provides synthetically valuable alpha-hydroxy epoxides and alpha-hydroxy amides. This protocol applies to a wide range of alkyl- and aryl-substituted alpha,beta-epoxy ketones, including terpenes (alpha-ionone, nootkatone, and R-carvone)- and steroids (testosterone and progesterone)-derived epoxy ketones, and tolerates H-2 sensitive functionalities, such as halides, acetyl, nitrile, nitro, epoxide, alkenyl and alkynyl groups. Additionally, alpha-ketoamides bearing reducible functional groups, including acetyl and diazo benzene, were untouched under this protocol and selectively converted to alpha-hydroxy amides. A preliminary mechanistic study highlighted the metal-ligand cooperative H-2 activation process.
}, keywords = {alpha, beta-epoxy ketones, chemoselectivity, direct hydrogenation, manganese, Metal-ligand cooperation}, issn = {1615-4150}, doi = {10.1002/adsc.202400267}, author = {Shabade, Anand B. and Singh, Rahul K. and Gonnade, Rajesh G. and Punji, Benudhar} } @article {49095, title = {Mechanistic modeling of size exclusion chromatography-assisted in vitro refolding of the recombinant biosimilar teriparatide (PTH-34)}, journal = {ACS Omega}, volume = {9}, year = {2024}, month = {JAN }, pages = {3204-3216}, type = {Article}, abstract = {
In vitro protein refolding is one of the critical unit operations in manufacturing recombinant peptides expressed using Escherichia coli as host cells. This study is focused on designing size exclusion chromatography-assisted in vitro refolding process for biosimilar recombinant parathyroid hormone. Inclusion bodies (IBs) of recombinant parathyroid hormone were solubilized at higher pH, and in vitro refolding was performed using size exclusion chromatography. In the first part of the investigation, DoE-based empirical optimization was performed to achieve a higher refolding yield for a biosimilar recombinant parathyroid hormone. The effect of solubilized inclusion body (IB) feed volume, concentration of IBs, and residence time on in vitro refolding of recombinant teriparatide was studied using the Box-Behnken design. Size exclusion chromatography (SEC)-assisted in vitro refolding was performed at 8 C-degrees at pH 10.5 by using 20 mM Tris buffer. The maximum refolding yield of 98.12\% was achieved at feed volume (12.5\% of CV) and 20 mg/mL inclusion body (IB) concentration with a residence time of 50 min and a purity of 66.1\% based on densitometric analysis using SDS-PAGE. In the latter part of the investigation, the general rate mechanistic model framework for size exclusion chromatography was developed and validated with the experimental results. The developed model helped in the accurate prediction of the elution volumes and product yield. The developed model also helps to predict the elution performance of a scalable column a priori. Post in vitro refolding, the formation of the native peptide structure was examined using various orthogonal analytical tools to study the protein{\textquoteright}s primary, secondary, and tertiary structures. The developed hybrid process development approach is a valuable tool toachieve high-yield, scalable refolding conditions for recombinant proteins without disulfide bonds.
}, issn = {2470-1343}, doi = {10.1021/acsomega.3c04463}, author = {Ughade, Santosh and Rana, Sunil and Nadeem, Mohd and Kumthekar, Rupali and Mahajani, Sanjay and Bhambure, Rahul} } @article {49011, title = {Metabolic reprogramming and signalling cross-talks in tumour-immune interaction: a system-level exploration}, journal = {Royal Society Open Science }, volume = {11}, year = {2024}, month = {MAR }, type = {Article}, abstract = {
Tumour-immune microenvironment (TIME) is pivotal in tumour progression and immunoediting. Within TIME, immune cells undergo metabolic adjustments impacting nutrient supply and the anti-tumour immune response. Metabolic reprogramming emerges as a promising approach to revert the immune response towards a pro-inflammatory state and conquer tumour dominance. This study proposes immunomodulatory mechanisms based on metabolic reprogramming and employs the regulatory flux balance analysis modelling approach, which integrates signalling, metabolism and regulatory processes. For the first time, a comprehensive system-level model is constructed to capture signalling and metabolic cross-talks during tumour-immune interaction and regulatory constraints are incorporated by considering the time lag between them. The model analysis identifies novel features to enhance the immune response while suppressing tumour activity. Particularly, altering the exchange of succinate and oxaloacetate between glioma and macrophage enhances the pro-inflammatory response of immune cells. Inhibition of glutamate uptake in T-cells disrupts the antioxidant mechanism of glioma and reprograms metabolism. Metabolic reprogramming through adenosine monophosphate (AMP)-activated protein kinase (AMPK), coupled with glutamate uptake inhibition, was identified as the most impactful combination to restore T-cell function. A comprehensive understanding of metabolism and gene regulation represents a favourable approach to promote immune cell recovery from tumour dominance.
}, keywords = {metabolic reprogramming, signalling-metabolic cross-talks, system modelling, tumour-immune interaction}, issn = {2054-5703}, doi = {10.1098/rsos.231574}, author = {Shukla, Mudita and Bhowmick, Rupa and Ganguli, Piyali and Sarkar, Ram Rup} } @article {49038, title = {Metal-free one-pot domino synthesis of oxazolidinethione derivatives of quaternary amino acids from α-amino esters and aldehydes using CS2}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {FEB }, pages = {7109-7114}, type = {Article}, abstract = {
We present a streamlined, metal-free, one-pot domino approach to efficiently synthesize oxazolidinethione derivatives containing substituted quaternary amino acids. This method employs alpha-amino esters, aldehydes, and CS2 under mild conditions, constructing three new bonds (C-N, C-C, and C-O) to produce oxazolidinethione compounds featuring a quaternary center and a beta-hydroxy derivative in high yields. This scalable protocol enables the creation of libraries of biologically significant, intricate amino acid derivatives using amino esters and aldehydes.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c02217}, author = {Shinde, Dinesh R. and Krishna, Gamidi Rama and Marelli, Udaya Kiran} } @article {49369, title = {Metal-organic frameworks for enhanced hydrogen generation from syngas: a density functional theory approach}, journal = {CHEMPLUSCHEM}, volume = {89}, year = {2024}, month = {NOV}, type = {Journal Article}, keywords = {carbon capture, H-2 separation, Metal organic, Porous coordination network (PCN-250), Syngas}, issn = {2192-6506}, doi = {10.1002/cplu.202400229}, author = {Gopalsamy, Karuppasamy and Singh, Chandrodai Pratap and Krishnamurty, Sailaja and BabaRao, Ravichandar} } @article {49300, title = {Methanesulfonic acid-catalyzed friedel-crafts alkylation: towards sustainable synthesis of arylalkanes from donor-acceptor cyclopropane ketones}, journal = {Asian Journal of Organic Chemistry}, volume = {13}, year = {2024}, month = {JUL}, type = {Article}, abstract = {
We present herein Br \& oslash;nsted acid-catalyzed Friedel-Crafts alkylation of phenols with Donor-Acceptor cyclopropane ketones. The presence of the 1,4-diphenyl butan-1-one and 1,3-diphenyl propane-1-one motifs in various naturally occurring biologically significant molecules inspired us to pursue the direct synthesis of these structural frameworks. Utilizing methanesulfonic acid (MeSO3H) as a catalyst, we achieved a more environmentally friendly and high-yielding synthesis, owing to its cost-effectiveness, biodegradability, transition-metal and additives free conditions. Furthermore, we have successfully extended our developed methodology to thiophenols, resulting in the production of sulfur-based butan-1-one derivatives in good yields. The presence of 1,4-diphenyl butan-1-one and 1,3-diphenyl propane-1-one motifs in various naturally occurring biologically significant molecules prompted us to develop a Br \& oslash;nsted acid-catalyzed Friedel-Crafts alkylation of phenols with Donor-Acceptor cyclopropane. image
}, keywords = {donor-acceptor cyclopropane, Friedel-Crafts alkylation, methanesulfonic acid, Phenols, thiophenol}, issn = {2193-5807}, doi = {10.1002/ajoc.202400116}, author = {Goswami, Lakshmi and Paul, Sayantan and Mamale, Ajay G. and Gonnade, Rajesh G. and Bhattacharya, Asish K.} } @article {49105, title = {Microbial production of N-acetyl-D-glucosamine (GlcNAc) for versatile applications: biotechnological strategies for green process development}, journal = {Carbohydrate Research }, volume = {536}, year = {2024}, month = {FEB}, pages = {109039}, type = {Article}, abstract = {
N-acetyl-D-glucosamine (GlcNAc) is a commercially important amino sugar for its wide range of applications in pharmaceutical, food, cosmetics and biofuel industries. In nature, GlcNAc is polymerised into chitin biopolymer, which is one of the major constituents of fungal cell wall and outer shells of crustaceans. Sea food processing industries generate a large volume of chitin as biopolymeric waste. Because of its high abundance, chitinaceous shellfish wastes have been exploited as one of the major precursor substrates of GlcNAc production, both in chemical and enzymatic means. Nevertheless, the current process of GlcNAc extraction from shellfish wastes generates poor turnover and attracts environmental hazards. Moreover, GlcNAc isolated from shellfish could not be prescribed to certain groups of people because of the allergic nature of shell components. Therefore, an alternative route of GlcNAc production is advocated. With the advancement of metabolic construction and synthetic biology, microbial synthesis of GlcNAc is gaining much attention nowadays. Several new and cuttingedge technologies like substrate co-utilization strategy, promoter engineering, and CRISPR interference system were proposed in this fascinating area. The study would put forward the potential application of microbial engineering in the production of important pharmaceuticals. Very recently, autotrophic fermentation of GlcNAc synthesis has been proposed. The metabolic engineering approaches would offer great promise to mitigate the issues of low yield and high production cost, which are major challenges in microbial bio-processes industries. Further process optimization, optimising metabolic flux, and efficient recovery of GlcNAc from culture broth, should be investigated in order to achieve a high product titer. The current study presents a comprehensive review on microbe-based eco-friendly green methods that would pave the way towards the development of future research directions in this field for the designing of a cost-effective fermentation process on an industrial setup.
}, keywords = {Genetic engineering, GlcNAc applications, Market status, Microbial bioprocess, N-acetyl-D-glucosamine, synthetic biology}, issn = {0008-6215}, doi = {10.1016/j.carres.2024.109039}, author = {Das, Sancharini and Chowdhury, Chiranjit and Kumar, S. Pavan and Roy, Debasis and Gosavi, Suresh W. and Sen, Ramkrishna} } @article {49239, title = {Mitochondrial resilience and antioxidant defence against HIV-1: unveiling the power of Asparagus racemosus extracts and Shatavarin IV}, journal = {FRONTIERS IN MICROBIOLOGY}, volume = {15}, year = {2024}, month = {OCT}, type = {Journal Article}, keywords = {IN-SILICO, INHIBIT HIV-1}, doi = {10.3389/fmicb.2024.1475457}, author = {Jadaun, Pratiksha and Harshithkumar, R. and Seniya, Chandrabhan and Gaikwad, Shraddha Y. and Bhoite, Shubhangi P. and Chandane-Tak, Madhuri and Borse, Swapnil and Chavan-Gautam, Preeti and Tillu, Girish and Mukherjee, Anupam} } @article {49319, title = {Model predicted optimization of experimental set-up and process conditions for microwave-assisted synthesis of silver nanowires}, journal = {Chemical Engineering Journal}, volume = {498}, year = {2024}, month = {OCT}, pages = {155483}, type = {Article}, abstract = {
This work presents simulations led optimization of choice of a reactor for an experimental set-up for the continuous production of silver nanowires with certain constraints in terms of yield, reaction time, and dimensions of nanowires. The choice of reactors based on the simulations of reaction kinetics for nucleation and growth phases of driving the optimization of an experimental set-up and subsequent optimization of process conditions to maximize the yield of nanowires of desired dimensions. The optimized reactor configuration is dictated by the reaction kinetics and using a microwave in continuous mode becomes unavoidable. This makes the approach highly reproducible as well as scalable. The integration of conventional and microwave heating is simulated and subsequently optimized experimentally to attain a significant increase in nanowire yield under steady-state conditions with less than 15 min of residence time. The precise control over the rate in different reactor configurations governing nucleation, accelerated growth followed by slow growth to complete the conversion of precursor enables higher selectivity of nanowires with controllable dimensions resulting in 100 gm production per day using simple set-up. We systematically examined key reaction parameters, including the concentration of metal ions, residence time, and different reactor configurations. Our approach successfully yielded AgNWs with 40-60 nm diameter and 15 mu m length. The cost associated with this process for synthesizing AgNWs is less than 10\$ per gram. This study highlights the potential of continuous, high-throughput processes for controlling nanowire size and yield through advanced reactor engineering.
}, keywords = {Continuous synthesis, Microwave, Reactor design, Silver Nanowires}, issn = {1385-8947}, doi = {10.1016/j.cej.2024.155483}, author = {Sonawane, Jayesh R. and Kulkarni, Amol A.} } @article {49353, title = {Modular synthesis of unsymmetrical indolyl diketones from ynediones via sequential aza-Michael addition/C-H functionalization}, journal = {Organic \& Biomolecular Chemistry}, volume = {22}, year = {2024}, month = {OCT }, pages = {8152-8156}, type = {Article}, abstract = {
Herein, we disclose an efficient approach for the synthesis of unsymmetrical indolyl diketones from easily accessible 1,2-alkynediones involving a sequential aza-Michael addition/C-H Functionalization process. The two-step, one-pot strategy involves the aza-Michael addition of an aniline generating the N-aryl enaminones followed by iodine-mediated C-H functionalization.
}, issn = {1477-0520}, doi = {10.1039/d4ob00946k}, author = {Naveed, Abdul and Bag, Debojyoti and Sawant, Sanghapal D.} } @article {49245, title = {MOFite: a high-density lithiophilic and scalable metal-organic framework anode for rechargeable lithium-ion battery}, journal = {ANGEWANDTE CHEMIE-INTERNATIONAL EDITION}, volume = {63}, year = {2024}, month = {OCT }, type = {Journal Article}, keywords = {conjugated MOF, Energy storage, lithium ion battery, Metal-organic framework, scalable synthesis}, issn = {1433-7851}, doi = {10.1002/anie.202409256}, author = {Gaber, Safa and Mohammed, Abdul Khayum and Javaregowda, Bharathkumar H. and Martinez, Jose Ignacio and Sanchez, Pilar Pena and Gandara, Felipe and Krishnamoorthy, Kothandam and Shetty, Dinesh} } @article {49003, title = {Morphology tuning via linker modulation: metal-free covalent organic nanostructures with exceptional chemical stability for electrocatalytic water splitting}, journal = {Advanced Materials }, volume = {36}, year = {2024}, month = {MAR}, type = {Article}, abstract = {
The development of synthetic routes for the formation of robust porous organic polymers (POPs) with well-defined nanoscale morphology is fundamentally significant for their practical applications. The thermodynamic characteristics that arise from reversible covalent bonding impart intrinsic chemical instability in the polymers, thereby impeding their overall potential. Herein, a unique strategy is reported to overcome the stability issue by designing robust imidazole-linked POPs via tandem reversible/irreversible bond formation. Incorporating inherent rigidity into the secondary building units leads to robust microporous polymeric nanostructures with hollow-spherical morphologies. An in-depth analysis by extensive solid-state NMR (1D and 2D) study on H-1, C-13, and N-14 nuclei elucidates the bonding and reveals the high purity of the newly designed imidazole-based POPs. The nitrogen-rich polymeric nanostructures are further used as metal-free electrocatalysts for water splitting. In particular, the rigid POPs show excellent catalytic activity toward the oxygen evolution reaction (OER) with long-term durability. Among them, the most efficient OER electrocatalyst (TAT-TFBE) requires 314 mV of overpotential to drive 10 mA cm(-2) current density, demonstrating its superiority over state-of-the-art catalysts (RuO2 and IrO2).
}, keywords = {bi-functional electrocatalysts, chemically robust, hollow-spherical morphologies, imidazole-linked, inherent rigidity, metal-free, water splitting}, issn = {0935-9648}, doi = {10.1002/adma.202209919}, author = {Karak, Shayan and Koner, Kalipada and Karmakar, Arun and Mohata, Shibani and Nishiyama, Yusuke and Duong, Nghia Tuan and Thomas, Neethu and Ajithkumar, Thalasseril Govindankuttykaimal and Hossain, Munshi Sahid and Bandyopadhyay, Subhajit and Kundu, Subrata and Banerjee, Rahul} } @article {49358, title = {Multi-dimensional impact of captopril modification on human serum albumin}, journal = {International Journal of Biological Macromolecules}, volume = {274}, year = {2024}, month = {AUG}, pages = {133289}, type = {Article}, abstract = {
Captopril is a thiol drug, widely used for the management of hypertension and cardiovascular diseases. Reactive thiols are found to covalently modify the cysteines of plasma proteins and affect their structure and function. Human serum albumin (HSA) is prone to undergo modification by various low molecular weight compounds, including drugs. Cysteine34 (Cys34) in HSA has a free thiol group with antioxidant properties, considered to be the most redox-sensitive amino acid in plasma. Through mass-spectrometric analysis, we demonstrate for the first time that captopril forms a disulfide adduct at Cys34 residue and increases the protease susceptibility of HSA to trypsin. As evidenced by our biophysical and electron microscopy studies, HSA undergoes structural alteration, aggregation and morphological changes when treated with different captopril concentrations. Molecular dynamics studies further revealed the regions of secondary structural changes in HSA due to disulfide adduct formation by captopril at Cys34. It also elucidated the residues involved in the noncovalent interactions with captopril. It is envisaged that structural change in HSA may influence the efficacy of drug delivery as well as its own biological function. These findings may thus provide significant insights into the field of pharmacology intriguing further investigation into the effects of long-term captopril treatment.
}, keywords = {Captopril, Electron microscopy, Human serum albumin, Mass spectrometry, Molecular dynamic simulation, Spectrophotometry}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2024.133289}, author = {Ghosh, Amrita and Jani, Vinod and Sonavane, Uddhavesh and Naphade, Anvi N. and Joshi, Rajendra and Kulkarni, Mahesh J. and Giri, Ashok P.} } @article {49458, title = {Multifunctional metabolites of Streptomyces kunmingensis BS19 from bamboo rhizosphere soil}, journal = {International Microbiology}, year = {2024}, month = {NOV}, type = {Article}, abstract = {
A pigmented bioactive molecule from\ Streptomyces kunmingensis\ BS19 was isolated, characterized, and evaluated for anti-infective, antiproliferative, and wound-healing properties. The yellow{\textendash}red pigment produced from the strain BS19 showed promising activity against methicillin-resistant\ Staphylococcus aureus\ (MRSA) and\ Mycobacterium tuberculosis. Extracellular bioactive pigment from the strain BS19 was produced by agar surface fermentation and purified through bioassay guided preparative HPLC-based purification. Based on the results of UV, FT-IR, GC{\textendash}MS,\ 1H NMR, and\ 13C NMR spectral analyses, the purified pigment was identified as a chromopeptide class of molecule with phenoxazinone chromophore. Its molecular weight was determined as the chemical formula C64H90N12O16\ and molecular weight 1283\ g/mol. It exhibited promising antimicrobial activity against\ Staphylococcus aureus\ (ATCC 1720) and antiproliferative activity against 14 types of human cancer cell lines. It showed good in vivo wound-healing activity in the rat model. The present study explored\ Streptomyces kunmingensis\ as a newly added source for the isolation of chromopeptide antibiotics for antimicrobial, wound-healing, and anticancer applications.
}, doi = {10.1007/s10123-024-00619-2}, author = {Sangeetha, Murthy and Sasirekha, Sivakumar and Mahendran, Jaganathan and Sivarajan, Anbalmani and Radhakrishnan, Manikkam and Manigundan, Kaari and Dastager, Syed G. and Sengottuvelu, Singaravel and Balagurunathan, Ramasamy} } @article {49400, title = {Multi-site red-edge excitation shift reveals the residue-specific solvation dynamics during the native to amyloid-like transition of an amyloidogenic protein}, journal = {Journal of Physical Chemistry B}, year = {2024}, month = {DEC}, type = {Article; Early Access}, abstract = {
Changes in water-protein interactions are crucial for proteins to achieve functional and nonfunctional conformations during structural transitions by modulating local stability. Amyloid-like protein aggregates in deteriorating neurons are hallmarks of neurodegenerative disorders. These aggregates form through significant structural changes, transitioning from functional native conformations to supramolecular cross-beta-sheet structures via misfolded and oligomeric intermediates in a multistep process. However, the site-specific dynamics of water molecules from the native to misfolded conformations and further to oligomeric and compact amyloid structures remain poorly understood. In this study, we used the fluorescence method known as red-edge excitation shift (REES) to investigate the solvation dynamics at specific sites in various equilibrium conformations en route to the misfolding and aggregation of the functional domain of the TDP-43 protein (TDP-43tRRM). We generated three single tryptophan-single cysteine mutants of TDP-43tRRM, with the cysteines at different positions and tryptophan at a fixed position. Each sole cysteine was fluorescently labeled and used as a site-specific fluorophore along with the single tryptophan, creating four monitorable sites for REES studies. By investigating the site-specific extent of REES, we developed a residue-specific solvation dynamics map of TDP-43tRRM during its misfolding and aggregation. Our observations revealed that solvation dynamics progressively became more rigid and heterogeneous to varying extents at different sites during the transition from native to amyloid-like conformations.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.4c07067}, author = {More, Sonal R. and Jha, Santosh Kumar} } @article {49051, title = {Nanocrystalline (NixCo(1-x))3(PO4)2@FeSe2/NF as a promising OER electrocatalyst for alkaline water electrolysis}, journal = {International Journal of Hydrogen Energy}, volume = {59}, year = {2024}, month = {MAR}, pages = {74-81}, type = {Article}, abstract = {
Affordable and sustainable hydrogen production is the need of the hour owing to the mounting global pursuit for the hydrogen economy. Water splitting is the premier go -to method to produce green hydrogen at a larger scale in which the half -cell Oxygen Evolution Reaction (OER) demands a larger amount of energy expenditure due to its sluggish kinetics. Hence, designing an efficient OER electrocatalyst, especially for alkaline water electrolysis that offers alternatives to the usage of precious group metals is a pressing priority. Herein, we report a novel nanocrystalline electrocatalyst consisting of two components, namely cobalt nickel phosphate and iron diselenide synthesised via a two-step electrodeposition at room temperature. The combination of the two components on the porous nickel foam substrate exhibits an overpotential of 272 mV at 100 mA/cm2 in 1 M KOH showing a low Tafel slope of a mere 38 mV/dec with appreciable retention even after 24 h of stability test at a relatively higher current density. The surface reconstruction that occurs when FeSe2 is electrodeposited on (Ni0.35Co0.65)3(PO4)2@NF and the synergy between the two components is the primary reason for the improved performance. Thus, this work highlights the ambient synthesis of a highly durable earth -abundant metal -based electrocatalyst which exceeds the performance of the standard Ru/C by a decent margin.
}, keywords = {Alkaline Water Electrolysis, Ambient synthesis, Electrodeposition, Non-PGM based Electrocatalyst, OER}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2024.01.264}, author = {Christi, Darren Sebastian and Selvaraj, Kaliaperumal} } @article {49236, title = {Nanotrap infused ultrathin hybrid composite material for rapid and highly selective entrapment of 99TcO4-}, journal = {CHEMICAL SCIENCE}, volume = {15}, year = {2024}, month = {NOV}, pages = {18463-18475}, type = {Journal Article}, keywords = {Adsorption, CAPTURE, EFFICIENT, Metal-organic framework, Removal, TECHNETIUM}, issn = {2041-6520}, doi = {10.1039/d4sc04010d}, author = {Mandal, Writakshi and Fajal, Sahel and Majumder, Dipanjan and Sengupta, Arijit and Let, Sumanta and Urkude, Rajashri R. and Shirolkar, Mandar M. and Torris, Arun and Ghosh, Sujit K.} } @article {49354, title = {Network motifs exhibiting a differential response to spaced and massed inputs}, journal = {Learning \& Memory}, volume = {31}, year = {2024}, month = {JUL}, pages = {a054012}, type = {Article}, abstract = {
One characteristic of long-term memory is the existence of an inverted U-shaped response to increasing intervals between training sessions, and consequently, an optimal spacing that maximizes memory formation. Current models of this spacing effect focus on specific molecular components and their interactions. Here, we computationally study the underlying network architecture, in particular, the potential of motif dynamics in qualitatively capturing the spacing effect in a manner that is independent of the animal model, biomolecular components, and the timescales involved. We define a common training and test protocol, and computationally identify network topologies that can qualitatively replicate the experimentally observed characteristics of the spacing effect. For 41 motifs derived from fundamental network architectures such as autoregulation, feedback, and feedforward motifs, we tested their capacity to manifest the spacing effect in terms of an inverted U-shaped response curve, using different combinations of stimulation protocols, response metrics, and kinetic parameters. Our findings indicate that positive feedback motifs where the stimulus enhances conversion reaction in the loop replicate the spacing effect across all response metrics, while feedforward motifs exhibit a metric-specific spacing effect. For some parameter combinations, linear cascades of activation and conversion reactions were found sufficient to qualitatively exhibit spacing effect characteristics.
}, issn = {1072-0502}, doi = {10.1101/lm.054012.124}, author = {Sreejan, Ashley and Saxena, Priyanka and Gadgil, Chetan J.} } @article {49383, title = {New binary adducts of panobinostat with different carboxylic acid based NSAIDs: structural analysis and physicochemical properties investigation}, journal = {ChemistrySelect}, volume = {9}, year = {2024}, month = {NOV}, pages = {e202403539}, type = {Article}, abstract = {
Adoption of multitarget, cost-effective fixed-dose medication combinations can help lower the pill load without increasing the risk of adverse events. In this study, three new 1:1 drug-drug binary solid forms of panobinostat (PNB) and nonsteroidal anti-inflammatory drugs (NSAIDs) were effectively synthesized by liquid-assisted grinding and slow evaporation crystallization techniques. The obtained solid forms were extensively characterized by various analytical techniques. The structural investigation revealed that all molecular adducts formed salt with a comparable R42\${\textbackslashmathrm{R}}_4\<\^\>2\$(10) graph set pattern created by heteromeric interactions formed between PNB and corresponding salt formers. To determine the dissolving behavior of the newly developed adducts, solubility tests were performed at various pH levels (pH 1.2 and pH 7), and the results indicated that the solubility of all forms is increased at pH 7.0, particularly PNB.NIF has a solubility of 0.195 mg/mL, which is seven times higher than the parent drug. Furthermore, PXRD was used to assess the stability of the synthesized adduct at varied temperature and humidity levels and it was found that all the adducts are stable. Based on the findings, we hope that the newly found PNB drug-drug binary adducts have possible potential to broaden the use of drug combinations without changing the chemical structures.
}, keywords = {Drug-drug salts, Heteromeric interactions, Hydrogen bond, Non-steroidal anti-inflammatory drugs, Panobinostat}, issn = {2365-6549}, doi = {10.1002/slct.202403539}, author = {Kenguva, Gowtham and Rout, Smruti Rekha and Kar, Ananya and Giri, Lopamudra and Shaikh, Tabrez R. and Jadab, Madhusmita and Pal, Satyanarayan and Dandela, Rambabu} } @article {49313, title = {New insights into the composition and catalytic performance of VOx-Ga/γ-Al2O3 for the oxidative dehydrogenation of propane to propene}, journal = {New Journal of Chemistry}, volume = {48}, year = {2024}, month = {AUG }, pages = {15077-15087}, type = {Article}, abstract = {
Oxidative dehydrogenation (ODH) of propane is a promising alternative route for propene production. In this work, we developed a series of vanadium and gallium oxides supported on gamma-Al2O3 catalysts by an incipient wetness impregnation method. Among the employed catalysts, the VGA-2 showed superior catalytic activity, and the catalyst was demonstrated for longevity in ODH of propane with a stable activity using a continuous flow fixed bed reactor at 400 degrees C. H-2-TPR and UV-visible spectra showed the presence of highly dispersed monomeric VOx species with tetrahedral coordination geometry, which influences product selectivity. The characterization results also conferred that the redox nature of vanadium (V5+ and V4+) oxide and higher V5+ content on the surface of the VGA-2 catalysts are more favourable for C-H activation. In addition, the pyridine-FTIR and Ga-71 solid-state NMR studies further substantiated the presence of Lewis acid sites and tetrahedrally coordinated Ga3+Ox species that are highly responsible for the ODHP activity, respectively. Furthermore, in situ-DRIFTS studies conferred that the propane adsorption at ambient temperature showed the formation of intermediate propoxide species with the evolution of sigma-bonds and with further increase in the temperature to 325 degrees C; the stretching vibrations of the =C-H and -C-H bonds in the propylene molecule were observed. The spent catalysts were also analyzed by thermogravimetric analysis, where the optimized catalyst (VGA-2) showed the least coke deposition.
}, issn = {1144-0546}, doi = {10.1039/d3nj05109a}, author = {Kandasamy, Prabu and Gawali, Sheetal and Venugopalan, Aswathy Thareparambil and Manikandan, Marimuthu and Mekala, Siva Prasad and Shelke, Ankita and Ajithkumar, Thalasseril G. and Bhatte, Kushal and Raja, Thirumalaiswamy} } @article {49091, title = {New record of larval-pupal endoparasitoid Exorista deligata parasitising Indian Tea looper Hyposidra talaca from India}, journal = {Phytoparasitica}, volume = {52}, year = {2024}, month = {MAR}, pages = {23}, type = {Article}, abstract = {
This is the first record of Exorista deligata (Pandell \& eacute;, 1896) (Diptera: Tachinidae) as a parasitoid of Hyposidra talaca (Walker, 1860) (Lepidoptera: Geometridae) from India. H. talaca is a major and new emerging defoliator of the Tea plant Camellia sinensis (L) Kuntze (Theaceae). It completes multiple generations per year without diapause on C. sinensis, resulting in heavy crop loss. The field-collected larvae/pupa of H. talaca were checked for parasitoid infestations and reared until either the host or parasitoid emerged. The parasitoid was identified as E. deligata with morphological characteristics and confirmed by the mitochondrial cytochrome oxidase subunit-I (COX-CO1) gene sequencing technique. The parasitoid is infrequent with unexplored parasitic biology. It parasitises the larva and completes its lifecycle inside the developing H. talaca by entirely devouring the host. The mean percent parasitisation caused by E. deligata studied herein was 25.4\% (range 5.88\%-57.69\%). Based on its parasitisation ability, we suggest the species could be a potential biological control agent to address the damage mitigation caused by the tea looper pest, H. talaca.
}, keywords = {Biocontrol, Exorista deligata, Hyposidra talaca, Invasive pest, Parasitisation}, issn = {0334-2123}, doi = {10.1007/s12600-024-01121-1}, author = {Sharma, Pooja V. and Das, Tamal and Mukherjee, Susmita and Pathan, Ejaj K. and Rahman, Azizur and Gathalkar, Ganesh B.} } @article {49298, title = {Nickel-catalyzed branch-selective C-H alkylation of indoles and azoles with alkenes: an additive- and solvent-free approach}, journal = {European Journal of Organic Chemistry}, volume = {27}, year = {2024}, month = {JUL }, type = {Article}, abstract = {
The development of sustainable protocols for the synthesis of alkylated heteroarenes is crucial owing to their widespread existence in medicinally relevant and bioactive natural products. Herein, we describe an efficient, additive- and solvent-free approach for the regioselective C-H alkylation of indoles and azoles with alkenes using a nickel catalyst, which proceeds through a chelation-assistance strategy. The reaction exclusively provided branched alkylated products with the compatibility of alkyl, alkoxy, fluoro, trifluoromethyl, alkene, cyano, ester, and carbonyl groups. This protocol is applicable to other heteroarenes, such as imidazoles and benzimidazoles, providing the desired alkylated products with exclusive Markovnikov selectivity. The synthetic utility and scale-up of the reaction are demonstrated, and the protocol is in concord with the principles of green chemistry. Alkylation proceeds through facile and reversible C-H nickelation and alkene insertion processes, presumably involving rate-limiting reductive elimination. A straightforward nickel-catalyzed protocol for the C-H alkylation of indoles and azoles is disclosed that proceeds under additive- and solvent-free conditions. The reaction utilizes readily available alkenes as alkylating partners and delivers Markovnikov products with tolerance of sensitive functionalities. image
}, keywords = {Alkylation, branch selectivity, indoles, Nickel, solvent-free synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.202400376}, author = {Ankade, Shidheshwar B. and Banerjee, Shuvajit and Punji, Benudhar} } @article {49023, title = {Nickel-catalyzed chemodivergent coupling of alcohols: efficient routes to access α,α-disubstituted ketones and α-substituted chalcones}, journal = {Chemistry- a european journal}, volume = {30}, year = {2024}, month = {MAR}, type = {Article}, abstract = {
Chemodivergent (de)hydrogenative coupling of primary and secondary alcohols is achieved utilizing an inexpensive nickel catalyst, (6-OH-bpy)NiCl2. This protocol demonstrates the synthesis of branched carbonyl compounds, alpha,alpha-disubstituted ketones, and alpha-substituted chalcones via borrowing hydrogen strategy and acceptorless dehydrogenative coupling, respectively. A wide range of aryl-based secondary alcohols are coupled with various primary alcohols in this tandem dehydrogenation/hydrogenation reaction. The nickel catalyst, along with KOtBu or K2CO3, governed the selectivity for the formation of branched saturated ketones or chalcones. A preliminary mechanistic investigation confirms the reversible dehydrogenation of alcohols to carbonyls via metal-ligand cooperation (MLC) and the involvement of radical intermediates during the reaction. The chemodivergent nickel-catalyzed approach provides alpha,alpha-disubstituted ketones from aryl-substituted secondary alcohols and benzyl alcohols via the borrowing hydrogen (BH) strategy in the presence of KOtBu, whereas exclusively alpha-substituted chalcones were accomplished in the presence of mild base K2CO3 through an acceptorless dehydrogenative coupling (ADC) strategy. image
}, keywords = {Alcohols, dehydrogenative coupling, Metal-ligand cooperation, Nickel, substituted carbonyl compounds}, issn = {0947-6539}, doi = {10.1002/chem.202304082}, author = {Bansal, Sadhna and Punji, Benudhar} } @article {49009, title = {Nickel-catalyzed tandem conversion of paraformaldehyde : methanol to hydrogen and formate/chemo- and stereoselective hydrogenation of alkynes under neutral conditions}, journal = {Catalysis Science and Technology }, volume = {14}, year = {2024}, month = {MAY}, pages = {2779-2793}, type = {Article}, abstract = {
The development of new catalytic protocols for clean and COx-free hydrogen generation from fundamental feedstocks is always interesting and challenging. Herein, we disclose nickel-catalyzed dihydrogen generation from a mixture of paraformaldehyde-methanol under base-free and activator-free conditions. The dihydrogen generation from this redox combination under neutral, oxidative coupling conditions has been integrated with the hydrogen transfer reactions such as chemo- and stereoselective hydrogenation of alkynes in a tandem manner. This unprecedented strategy provides diverse highly stereoselective olefins with excellent tolerance of reducible functional groups such as ether, silyl ether, aldehyde, keto, ester, nitrile, halides including bromo and iodo groups, and heteroarenes. Additionally, we demonstrated catalytic stereo-interconversion of alkenes under benign conditions. The affordable gram-scale synthesis of some important pharmaceutical bioactive molecules has further enhanced their synthetic value. A tandem dihydrogen generation from a mixture of paraformaldehyde-methanol under base-free conditions followed by semihydrogenation of alkynes is reported.
}, issn = {2044-4753}, doi = {10.1039/d3cy01699d}, author = {Subaramanian, Murugan and Padhy, Subarna Sukanya and Gouda, Chandrakanth and Das, Tamal and Vanka, Kumar and Balaraman, Ekambaram} } @article {49088, title = {Nonedible thevetia peruviana oil for the synthesis of biobased thermosets and vitrimers with tunable mechanical properties}, journal = {ACS Applied Polymer Materials }, volume = {6}, year = {2024}, month = {FEB }, pages = {2695-2708}, type = {Article}, abstract = {
Current attempts to replace fossil-derived materials with vegetable oils for polymer production mainly rely on edible oils. This approach raises sustainability concerns due to potential food security risks. This report introduces the first in-depth examination of Thevetia peruviana oil (TPO) epoxidation, an easily accessible nonedible vegetable oil, utilizing diverse acidic ion-exchange resins as catalysts. It is followed by the development of vitrimers based on epoxidized oil (ETPO) with various dicarboxylic acid hardeners. Amberlite IRC120H emerged as the most effective catalyst for the epoxidation of the oil, allowing for repeated catalyst reusability for up to five cycles. An impressive relative oxirane conversion of 98.9\% was achieved after optimization. DSC analysis revealed that among the diacids, 2,2{\textquoteright}-dithiodibenzoic acid (DTBZ) has the lowest activation energy with ETPO. Additionally, the ETPO-DTBZ-based thermosets displayed exceptional solvent resistance and thermal stability, indicative of a high degree of cross-linked networks within the system. Mechanical analyses revealed that all aliphatic hardeners resulted in soft materials, while DTBZ resulted in thermosets with tensile stress and modulus of 15 and 843 MPa, respectively. Consequently, DTBZ-ETPO thermosets were successfully recycled, repaired, and reshaped with minimal changes in the mechanical properties. The shape memory of the thermosets was also established.
}, keywords = {biobasedvitrimers, environmental sustainability, epoxidizedThevetial peruviana oil, nonedible oil, Optimization, shape memory}, issn = {2637-6105}, doi = {10.1021/acsapm.3c02923}, author = {Olosho, Adebayo Isaac and Alam, Md Shafi and Sukumaran Nair, Kiran and Ambade, Ashootosh V. and Adekola, Folahan Amoo} } @article {49243, title = {Normal and diabetic foot sole skin mimicking tissue phantom fulfillment for spectroscopic-based DFU diagnostics perspective}, journal = {AIP ADVANCES}, volume = {14}, year = {2024}, month = {JUN }, type = {Journal Article}, keywords = {OPTICAL-PROPERTIES, STATE}, doi = {10.1063/5.0206988}, author = {Kumar, Ajay and Hattale, Gangadhar and Hinge, Sarika and Kulkarni, Gauri and Late, Dattatray J. and Kanawade, Rajesh} } @article {49260, title = {Novel GO hoisted SnO2-BiOBr bifunctional catalyst for the remediation of organic dyes under illumination by visible light and electrocatalytic water splitting}, journal = {NANOSCALE}, volume = {16}, year = {2024}, month = {JUL }, pages = {12445-12458}, type = {Journal Article}, keywords = {Chemistry, Multidisciplinary, Nanoscience \& Nanotechnology}, issn = {2040-3364}, doi = {10.1039/d4nr01154f}, author = {Dhillon, Manshu and Naskar, Abhishek and Kaushal, Neha and Bhansali, Shekhar and Saha, Avishek and Basu, Aviru Kumar} } @article {48932, title = {Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility}, journal = {Crystengcomm}, volume = {26}, year = {2024}, month = {JAN }, pages = {248-260}, type = {Journal Article}, abstract = {
The solubility, permeability, and dissolution rate of an active pharmaceutical ingredient (API) are critical factors in determining its pharmacokinetic performance in oral dosage forms. Modifying these properties can potentially enhance the drug{\textquoteright}s pharmacokinetics. Vandetanib (VDTB), classified as a class II anti-cancer drug in the biopharmaceutical classification system (BCS), suffers from low solubility (0.008 mg mL-1) and an extended pharmacokinetic half-life (19 days), necessitating the administration of high doses, which leads to undesirable side effects. To address this issue, we have employed a crystal engineering approach to enhance the solubility of VDTB. We employed the liquid-assisted grinding (LAG) method followed by the slow evaporation technique to prepare novel solid forms of VDTB by incorporating various aliphatic dicarboxylic acids, including succinic acid (SUA), adipic acid (ADA), pimelic acid (PIA), azelaic acid (AZA), and sebacic acid (SBA). These newly obtained solid forms were characterized by SC-XRD, PXRD, TGA, and DSC experiments. The crystal structure analyses revealed a proton transfer between the carboxylic acid group of aliphatic acids and the N-methyl piperidine moiety of VDTB, confirming salt/adduct formation. Additionally, all of the molecular salts were stabilized by charge-assisted N+-HMIDLINE HORIZONTAL ELLIPSISO- hydrogen bonds, while the parent VDTB crystal structure is stabilised by N-HMIDLINE HORIZONTAL ELLIPSISN interactions. Moreover, the solubility and dissolution rate of these new solid forms were assessed in a pH 7.4 phosphate buffer medium, with the results indicating that all of the solid forms, except for VDTB:SBA, exhibited higher solubility compared to pure VDTB. These findings offer promising prospects for the development of an improved VDTB formulation with enhanced pharmacokinetic properties. Successful attempt to improve the solubility and dissolution rate of Vandetanib - an anti-cancer drug, by crystal engineering approach.
}, keywords = {Amorfization, hydrate, Parameters, Salt, Thyroid-Cancer}, doi = {10.1039/d3ce01130e}, author = {Bandaru, Ravi Kumar and Giri, Lopamudra and Krishna, Gamidi Rama and Dandela, Rambabu} } @article {48933, title = {Novel sulfonic acid functionalized silica supported isonicotinic acid catalyst for conversion of 2-methylfuran to diesel fuel precursors}, journal = {Catalysis Letters}, volume = {154}, year = {2024}, month = {APR}, pages = {1511-1520}, type = {Article}, abstract = {
Polyfuranic compounds produced after carbon up-gradation of 2-methylfuran by acid catalyzed C-C bond forming reactions when undergo hydro-deoxygenation produce diesel fuel. Herein, we prepared a simple and novel silica supported sulfonic acid functionalized isonicotinic acid SO3H-INA@SiO2 catalyst by treating isonicotinic acid with chlorosulphonic acid followed by heterogenization on silica. This heterogeneous solid acid catalyst was explored for the solvent free conversion of 2-methylfuran to diesel fuel precursors of C-15 and C-20 units via tandem ring opening followed by condensation sequence. Under optimized reaction conditions, SO3H-INA@SiO2 was able to convert, 2-methylfuran completely into condensation products such as 5,5-bis(5-methylfuran-2-yl)pentan-2-one (1) and 2,4,4-tris(5-methylfuran-2-yl)pentan-1-ol (2) with 19\% and 67\% yields, respectively. The heterogeneous SO3H-INA@SiO2 catalyst was successfully recycled up to six consecutive runs without loss of its activity. The SO3H-INA@SiO2 catalyst offered superior activity as compared to the commercially available -SO3H functionalized resins. Superior activity of the prepared catalyst could be attributed for its higher acidity, smaller particle size and high surface area. Structure of the prepared catalyst was confirmed by FTIR and solid state NMR. Total acidity of the prepared catalyst was determined by acid-base titration.
}, keywords = {2-Methylfuran, Diesel fuel, heterogeneous catalyst, Ionic solid, solid acid}, issn = {1011-372X}, doi = {10.1007/s10562-023-04383-2}, author = {Tarade, Komal P. and Kamble, Sanjay P. and Rode, Chandrashekhar V.} } @article {49097, title = {N-SO3H functionalised br{\o}nsted acidic ionic liquid catalysed sequential one-pot synthesis of 2-amino-3-cyanopyridines via claisen-schmidt condensation under solvent-free condition}, journal = {Chemistryselect}, volume = {9}, year = {2024}, month = {MAR }, type = {Article}, abstract = {
This work presents a simple approach for the synthesis of 2-amino-3-cyanopyridines via a one pot two-step sequential route catalysed by direct N{\textendash}SO3H functionalised Br \& oslash;nsted acidic ionic liquids (BAILs). Herein, catalytic activities of four BAILs namely ([TSPi][Cl](2), [DSIM][TFA], [EDSIM][TFA] and [DBDSA][TFA]) were explored and among them [TSPi][Cl](2) was found to be the most efficient reusable homogeneous catalyst. This process involves the ionic liquid catalysed in situ generation of chalcones from Claisen-Schmidt condensation between aromatic aldehydes and acetophenone/4-Cl acetophenone, followed by multicomponent reaction (MCR) with malononitrile and ammonium acetate using the same IL catalyst to selectively produce 2-amino-3-cyanopyridine derivatives in a solvent-free medium at 80 degrees C within 30-60 minutes in high yields (96-86 \%). This amalgamation of MCR with ionic liquids and solvent-free conditions makes the present work more compliant with the protocols of Green Chemistry.
}, keywords = {2-amino-3-cyanopyridines, Bronsted acidic ionic liquids, chalcones, Multicomponent reaction, One-pot approach}, issn = {2365-6549}, doi = {10.1002/slct.202304103}, author = {Das, Sukanya and Paul, Subham and Kashyap, Niharika and Saikia, Pinku and Borah, Ruli} } @article {49237, title = {N-terminal domain of polypyrimidine-tract binding protein is a dynamic folding platform for adaptive RNA recognition}, journal = {NUCLEIC ACIDS RESEARCH}, volume = {52}, year = {2024}, month = {AUG}, pages = {10683-10704}, type = {Journal Article}, keywords = {CHEMICAL-SHIFT ANISOTROPY, NMR, ROTATING-FRAME RELAXATION, TIME-SCALE DYNAMICS}, issn = {0305-1048}, doi = {10.1093/nar/gkae713}, author = {Damberger, Fred F. and Krepl, Miroslav and Arora, Rajika and Beusch, Irene and Maris, Christophe and Dorn, Georg and Sponer, Jiri and Ravindranathan, Sapna and Allain, Frederic H-T} } @article {49370, title = {Ocimum kilimandscharicum 4CL11 negatively regulates adventitious root development via accumulation of flavonoid glycosides}, journal = {Plant Journal}, volume = {119}, year = {2024}, month = {JUL}, pages = {176-196}, type = {Article}, abstract = {
4-Coumarate-CoA Ligase (4CL) is an important enzyme in the phenylpropanoid biosynthesis pathway. Multiple 4CLs are identified in Ocimum species; however, their in planta functions remain enigmatic. In this study, we independently overexpressed three Ok4CL isoforms from Ocimum kilimandscharicum (Ok4CL7, -11, and -15) in Nicotiana benthamiana. Interestingly, Ok4CL11 overexpression (OE) caused a rootless or reduced root growth phenotype, whereas overexpression of Ok4CL15 produced normal adventitious root (AR) growth. Ok4CL11 overexpression in N. benthamiana resulted in upregulation of genes involved in flavonoid biosynthesis and associated glycosyltransferases accompanied by accumulation of specific flavonoid-glycosides (kaempferol-3-rhamnoside, kaempferol-3,7-O-bis-alpha-l-rhamnoside [K3,7R], and quercetin-3-O-rutinoside) that possibly reduced auxin levels in plants, and such effects were not seen for Ok4CL7 and -15. Docking analysis suggested that auxin transporters (PINs/LAXs) have higher binding affinity to these specific flavonoid-glycosides, and thus could disrupt auxin transport/signaling, which cumulatively resulted in a rootless phenotype. Reduced auxin levels, increased K3,7R in the middle and basal stem sections, and grafting experiments (intra and inter-species) indicated a disruption of auxin transport by K3,7R and its negative effect on AR development. Supplementation of flavonoids and the specific glycosides accumulated by Ok4CL11-OE to the wild-type N. benthamiana explants delayed the AR emergence and also inhibited AR growth. While overexpression of all three Ok4CLs increased lignin accumulation, flavonoids, and their specific glycosides were accumulated only in Ok4CL11-OE lines. In summary, our study reveals unique indirect function of Ok4CL11 to increase specific flavonoids and their glycosides, which are negative regulators of root growth, likely involved in inhibition of auxin transport and signaling.
}, keywords = {4-Coumarate-CoA ligase, 7-O-bis-alpha-l-rhamnoside, adventitious root, auxin transport, Flavonoids, kaempferol-3, Ocimum kilimandscharicum, quercetin-3-O-rutinoside, rootless}, issn = {0960-7412}, doi = {10.1111/tpj.16752}, author = {Lavhale, Santosh G. and Kondhare, Kirtikumar R. and Sinthadurai, Veenothini S. and Barvkar, Vitthal T. and Kale, Rutuja S. and Joshi, Rakesh S. and Giri, Ashok P.} } @article {49072, title = {Oligo(phenyleneethynylene)s: shape-tunable building blocks for supramolecular self-assembly}, journal = {Angewandte Chemie-International Edition}, volume = {63}, year = {2024}, month = {APR }, type = {Review}, abstract = {
Oligo(phenyleneethynylene)s (OPEs) have attracted widespread attention due to their remarkable (opto)electronic and photophysical properties, which have enabled numerous applications. The versatile functionalization possibilities of OPEs make them unique candidates to form various shape-persistent geometries, including linear, triangular, rectangular, hexagonal and macrocyclic. However, as a result of this structural variety, it is oftentimes challenging to correlate molecular design with self-assembly properties. In this minireview, we have classified OPEs based on their molecular shapes and correlated them with their self-assembly behavior in solution. Particularly, we provide important insights into the aggregation propensity of the different molecular shapes and how to tune the association strength using various non-covalent interactions. Our classification will enable a better understanding of the structure-property correlation in OPEs, which is key to develop supramolecular functional materials.
}, keywords = {non-covalent interactions, Oligo(phenyleneethynylene)s, pi-conjugated systems, Self-assembly, Supramolecular Polymerizaton}, issn = {1433-7851}, doi = {10.1002/anie.202402259}, author = {Fernandez, Zulema and Sanchez, Luis and Santhosh Babu, Sukumaran and Fernandez, Gustavo} } @article {49642, title = {One-pot catalytic conversion of sucrose to 1,2-propanediol over titania supported Ni-Ce metal catalyst under milder reaction conditions}, journal = {Biomass Conversion and Biorefinery}, volume = {14}, year = {2024}, month = {OCT}, pages = {24703-24714}, type = {Article}, abstract = {
The increased energy demand and decreasing fossil resources have driven the research community to look into a sustainable, green process to meet the energy demands. India being one of the top producers of sugarcane derived sucrose, and conversion of surplus sucrose to value chemicals is always an advantage. 5\%Ni-15\%Ce/TiO2 catalyst is found to produce high yield of 1,2-PDO (similar to 74\%) under very mild reaction condition of 180 degrees C, 30 bar H-2 for 3-h reaction time. The characterization of the catalyst by using various physicochemical methods indicates the synergy between Ni-Ce bimetal which enhances the selective production of glycol. The low temperature and pressure requirement and the advantage of being the one-pot process will always attract the future scope of commercialization.
}, keywords = {Glycol, Low pressure, Low temperature, Ni-Ce catalyst, Sucrose, titania}, issn = {2190-6815}, doi = {10.1007/s13399-023-04781-x}, author = {Sreekantan, Sreejith and Sreedharan, Sarath and Kirali, Arun Arunima Balachandran and Yadav, Parmeshwar and Marimuthu, Banu} } @article {49394, title = {One-pot, easy and scalable synthesis of large-size short wave length IR emitting PbS quantum dots}, journal = {Photochemistry and Photobiology}, volume = {100}, year = {2024}, month = {JUL}, pages = {1020-1030}, type = {Article}, abstract = {
This study presents a versatile and efficient method to synthesize large-size lead sulfide (PbS) quantum dots (QDs) that display emission in the short-wave infrared (SWIR) region, using accessible and stable diethylammonium diethyldithiocarbamate (C-2)(2)DTCA and octylammonium octyldithiocarbamate (C(8)DTCA) as sulfur sources. As these sulfur sources enable the formation of well-dispersed, large-size PbS QDs in a very convenient way, this method can further be taken up for scale-up studies. Importantly, this approach allows precise control over QD sizes, thereby enhancing their SWIR optical properties. By adjusting the hot injection temperatures and sulfur source concentrations, different synthesis routes are explored, providing flexibility for the desired QD characteristics. The results presented here offer a promising opportunity to leverage the synthesized PbS QDs in applications such as optoelectronics, sensors, and imaging technology.
}, keywords = {hot injection method, Optical properties, quantum dots, short wave IR emission}, issn = {0031-8655}, doi = {10.1111/php.13996}, author = {Sahu, Umasharan and Prasad, Bhagavatula L. V.} } @article {49357, title = {One-pot production of liquid hydrocarbons by catalytic hydrodeoxygenation of lignocellulosic biomass using nickel loaded on zeolite-based supports}, journal = {Energy \& Fuels}, volume = {38}, year = {2024}, month = {JUL }, pages = {13029-13038}, type = {Article}, abstract = {
The synthesis of liquid hydrocarbons from lignocellulosic biomass has been achieved with notable success. However, these technologies often require multistep approaches and are energy intensive. Thus, there is a considerable economic and environmental benefit of process intensification by the synthesis of liquid hydrocarbons in a one-pot process. For the first time, we report direct conversion of raw poplar into liquid alkanes and aromatics (carbon yield of 15.6 +/- 0.6 wt \%) with high selectivity toward C-7-C15 cycloalkanes (7.8 +/- 0.1 wt \%) and low level of oxygenated compounds (\<2.0 wt \%) at 270 degrees C and 3 MPa initial H(2 )pressure for 6 h using 10\% Ni/H-beta zeolite as a catalyst and cyclohexane as a solvent. The effect of temperature (250-270 degrees C), Ni loading (0-10\%), and type of zeolite support (H-beta, ZSM-5, and USY) on process performance was also investigated. In addition, the 10\% Ni/H-beta catalyst showed recyclability over two reactions, with a 17.6\% decrease in liquid hydrocarbon yield after the first reaction. This approach has the potential to simplify the synthesis of liquid fuels from lignocellulosic biomass.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.4c00659}, author = {Siakpebru, Odiri K. and Uchagawkar, Anoop and Gurrala, Lakshmiprasad and Bartlett, Jared and Adamson, Piersen and Gorschak, Nicholas and Hassiba, Adam and Niphadkar, Prashant and Bokade, Vijay and Morais, Ana Rita C.} } @article {49252, title = {One-pot synthesis of pyrazoles from sulfonyl hydrazides and alkynyl ketones using environmentally benign sulfonium iodate (I) reagent}, journal = {ChemistrySelect}, volume = {9}, year = {2024}, month = {OCT}, pages = {e202403249}, type = {Article}, abstract = {
Pyrazole is an omnipresent moiety in many natural products and pharmaceutically active compounds. Here, we have developed a simple and dynamic method for one-pot synthesis of substituted pyrazoles through the intramolecular cyclization of hydrazides and alkynyl ketones, using a novel sulfonium saltbased iodate (\& Iukcy;) reagent system. This method has the advantage that it proceeds in a one-pot, without isolating a less stable hydrazone intermediate. Hypervalent iodine-based reagents are an environmentally benign and greener option to toxic metal oxidants; they have an extensive application in metal-catalyst-free reactions, and this reaction proceeds in less time with high yields.
}, keywords = {Deprotonation, One-pot reaction, Oxidative iodination, Pyrazole, S(N)2-type cyclization}, issn = {2365-6549}, doi = {10.1002/slct.202403249}, author = {Mishra, Akanksha and Talukdar, Mrinal and Krishna, Gamidi Rama and Begari, Eeshwaraiah} } @article {49306, title = {Organocatalytic route to the enantioselective synthesis of syn/ anti-α-hydrazino-γ-fluoro alcohols}, journal = {Tetrahedron Letters}, volume = {145}, year = {2024}, month = {JUL}, pages = {155179}, type = {Article}, abstract = {
A general organocatalytic method has been developed for the asymmetric synthesis of alpha-hydrazino-gamma-fluoro alcohols, a precursor to syn/anti-1,3-fluoro amines. The strategy employs alpha-fluorination catalyzed by prolinederived catalyst, (S)-alpha,alpha-bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemetha nol trimethylsilyl ether followed by Horner-Wadsworth-Emmons (HWE) olefination of aldehydes, and proline-catalyzed alpha-amination as the key steps. The title compounds showed excellent diastereoselectivity (up to 99:1) and enantioselectivity (up to 99 \%).
}, keywords = {alpha-Amination, alpha-Fluorination, diastereoselectivity, Enantioselectivity, HWE olefination, organocatalyst}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2024.155179}, author = {Khonde, Nilesh S. and Said, Madhukar S. and Danve, Shivam S. and Kumar, Pradeep} } @article {49643, title = {Organocatalyzed [4+2] cycloaddition of α,β-unsaturated ketones and isatylidene malononitrile: accessing spiro[3-arylcyclohexanone]oxindole derivatives}, journal = {RSC Advances}, volume = {14}, year = {2024}, month = {JAN}, pages = {2873-2877}, type = {Article}, abstract = {
Herein, we developed a series of compounds featuring spiro[3-arylcyclohexanone]oxindoles through Barbas [4 + 2] cycloaddition reactions between isatylidene malononitrile and alpha,beta-unsaturated ketones using l-proline as an organocatalyst. The reported methodology offers many advantages such as mild reaction conditions, diverse substrate scope with high yields, easy reaction setup, and use of easily synthesizable starting materials. An l-proline catalyzed-Barbas-[4 + 2]-cycloaddition reaction is reported for the synthesis of spiro[3-arylcyclohexanone]oxindole derivatives. The method can tolerate a diverse substrate scope with high yields.
}, doi = {10.1039/d3ra07652k}, author = {Patil, Baliram R. and Nichinde, Chandrakant B. and Chaudhari, Suryakant S. and Krishna, Gamidi Rama and Kinage, Anil K.} } @article {49323, title = {Oxidative and selective C-C cleavage of glycerol to glycolaldehyde with atom-like Cu on Cu-TiO2: photocatalytic water reduction with concurrent glycerol oxidation in sunlight}, journal = {Journal of Catalysis}, volume = {437}, year = {2024}, month = {SEP}, pages = {115644}, type = {Article}, abstract = {
Concurrent consumption of electrons and holes for the conversion of a biomass component to value added products represents a highly efficient and sustainable approach towards utilizing renewable energy, but difficult to achieve. The integration of hydrogen production with glycerol oxidation presents a novel and sustainable approach towards achieving a circular economy. In the current study, integration of atom-like Cu-clusters onto TiO2 substrate has been achieved using a facile photo-deposition technique (TC-PDO). Also, novel synthetic approaches have been employed to augment the surface coverage of Cu on TiO2 with atom-like clusters of Cu, either by borohydride treatment on TiO2 followed by Cu-deposition (TC-200) or oxygen-vacancy creation by UV illumination followed by Cu-deposition (TC-PDO). Increased dispersion and enhanced electronic integration of Cu with TiO2 lead to a corresponding increase in the efficiency of photocatalytic hydrogen evolution (13.8 mmol/h.g for TC-PDO at pH 9). Several atom-like Cu integrated with each TiO2 particle acts as photocatalytic reactor, and the same enhances electron-hole separation as well as activity. Sustainable aspect was also studied for TC-PDO up to 25 h at pH 9. Concurrently, glycerol oxidation displays the highest selectivity to C2 product (glycolaldehyde with 70 \%) with a C-C cleavage. The investigation of this process holds significant potential for the extensive and simultaneous exploitation of electrons and holes in order to achieve water splitting and glycerol oxidation towards selective value-added products formation.
}, keywords = {C -C Cleavage, Glycerol, nanotechnology, Photo -deposition, solar energy conversion}, issn = {0021-9517}, doi = {10.1016/j.jcat.2024.115644}, author = {Bajpai, Himanshu and Nivedhitha, Thazhath R. and Dais, Elsa and Kanungo, Subhashree S. and Gopinath, Chinnakonda S.} } @article {49644, title = {Oxime ligands: organometallic synthesis and catalysis}, journal = {SYNTHETIC COMMUNICATIONS}, volume = {54}, year = {2024}, month = {MAR}, pages = {417-459}, type = {Review}, abstract = {
Ligands are at the heart of coordination chemistry. They conjure the magic of transition metals expressed in organometallic catalysis. Phosphine or P-ligands have found vast utility in transition metal chemistry, though demanding tedious synthesis. Several N, S-based ligands also find application in organometallic chemistry. Oximes are easily derived from aldehydes and ketones by simple reactions with hydroxylamine. Thus, an extensive library of oximes is available with different structural and electronic variations essential for coordination chemistry and catalysis. Several compounds with complex structural features, unavailable for phosphorous ligands, can be readily converted into active oxime ligands in a single derivatization step. Oxime ligands and metal complexes are applied in synthesizing diverse organic molecules and thus versatile ligands in organotransition metal chemistry.
}, keywords = {cobaloxime, Cross-coupling, oxime palladacycles, oximes, radical cyclization}, issn = {0039-7911}, doi = {10.1080/00397911.2023.2297038}, author = {Iyer, Suresh} } @article {49333, title = {PANI-grafted boron, nitrogen co-doped carbon fiber: An outstanding, high-performance supercapacitor electrode}, journal = {JOURNAL OF ENERGY STORAGE}, volume = {96}, year = {2024}, month = {AUG }, pages = {112668}, type = {Journal Article}, keywords = {Composite, polyaniline, Solid-state supercapacitor}, issn = {2352-152X}, doi = {10.1016/j.est.2024.112668}, author = {Nayan, Rajiv and Sinha, Shubhra and Dixit, Vaibhav and Satnami, Manmohan L. and Ghosh, Kallol K. and Pervez, Shamsh and Deb, Manas Kanti and Shrivas, Kamlesh and Rai, Manish K. and Yenchalwar, Sandeep G. and Wasnik, Kundan and Jadkar, Sandesh R. and Karbhal, Indrapal} } @article {49191, title = {Pathological mutations D169G and P112H electrostatically aggravate the amyloidogenicity of the functional domain of TDP-43}, journal = {ACS Chemical Neuroscience}, volume = {15}, year = {2024}, month = {NOV}, pages = {4267-4283}, type = {Article}, abstract = {
Aggregation of TDP-43 is linked to the pathogenesis of many neurodegenerative diseases, including amyotrophic lateral sclerosis (ALS). Notably, electrostatic point mutations such as D169G and P112H, located within the highly conserved functional tandem RNA recognition motif (RRM) domains of the TDP-43 protein (TDP-43tRRM), have been identified in diseased patients as well. In this study, we address how the electrostatic mutations alter both the native state stability and aggregation propensity of TDP-43tRRM. The mutants D169G and P112H show increased chemical stability compared to the TDP-43tRRM at physiological pH. However, at low pH, both the mutants undergo a conformational change to form amyloid-like fibrils, though with variable rates-the P112H mutant being substantially faster than the other two sequences (TDP-43tRRM and D169G mutant) showing comparable rates. Moreover, among the three sequences, only the P112H mutant undergoes a strong ionic strength-dependent aggregability trend. These observations signify the substantial contribution of the excess charge of the P112H mutant to its unique aggregation process. Complementary simulated observables with atomistic resolution assign the experimentally observed sequence-, pH-, and ionic strength-dependent aggregability pattern to the degree of thermal lability of the mutation site-containing RRM1 domain and its extent of dynamical anticorrelation with the RRM2 domain whose combination eventually dictate the extent of generation of aggregation-prone partially unfolded conformational ensembles. Our choice of a specific charge-modulated pathogenic mutation-based experiment-simulation-combination approach unravels the otherwise hidden residue-wise contribution to the individual steps of this extremely complicated multistep aggregation process.
}, keywords = {amyloid fibrils, conformational changes, disease mutations, electrostatics, Protein aggregation, stability}, issn = {1948-7193}, doi = {10.1021/acschemneuro.4c00372}, author = {Pillai, Meenakshi and Patil, Anjali D. and Das, Atanu and Jha, Santosh Kumar} } @article {49022, title = {Performance of Li exchange hierarchical X zeolite for CO2 adsorption and H2 separation}, journal = {Journal of Industrial and Engineering Chemistry }, volume = {133}, year = {2024}, month = {MAY }, pages = {505-514}, type = {Article}, abstract = {
Li exchange hierarchical X zeolite (Li-H-X) was prepared by decationization of X zeolite by NH4Cl solution followed by Li exchange and subsequent calcination. NH4-X and Li-X were prepared to compare the results of LiH-X. XRD, FE-SEM, EDS, N2 adsorption-desorption, and micro-/mesoporous volume were performed. The higher mesoporosity was confirmed in Li-H-X due to the framework dealumination during decationization. Static and dynamic sorption capacity of sorbents was evaluated to identify the performance of sorbent. The CO2 and H2 equilibrium adsorption capacity of Li-H-X was found to be 9.6 mmol g-1 and 0.78 mmol g-1, respectively, at 298 K and 20 bar, which was 25 \% (CO2) and 30 \% (H2) higher than Li-X. Static experimental data were validated using the Langmuir, Freundlich, and Sips models. The CO2 \& H2 dynamic sorption capacity of Li-H-X sorbent for binary gas (CO2/H2, 25/75 \%) was 4.145 mmol g-1 and 0.258 mmol g-1 at 303 K and 10 bar. The higher sorption capacity of Li-H-X was obtained due to large micro-/mesoporous volume of sorbent, which may allow to access unoccupied sites at higher pressure. This result reveals that micro-/mesoporous structure of zeolite adsorbs significantly higher CO2 from binary gas stream, which can use to separate pure H2 from gas stream.
}, keywords = {Adsorption, Carbon dioxide, Hydrogen, Microporous-mesoporous, Separation}, issn = {1226-086X}, doi = {10.1016/j.jiec.2023.12.027}, author = {Shrotri, Aadesh R. and Birje, Amit R. and Niphadkar, Prashant S. and V. Bokade, Vijay and Mali, Nilesh A. and Nandanwar, Sachin U.} } @article {49117, title = {Perturbation of fermi resonance on hydrogen-bonded \> C=O: 2D IR studies of small ester probes}, journal = {Journal of Physical Chemistry B}, volume = {128}, year = {2024}, month = {APR}, pages = {4440-4447}, type = {Article}, abstract = {
We utilized linear and 2D infrared spectroscopy to analyze the carbonyl stretching modes of small esters in different solvents. Particularly noteworthy were the distinct carbonyl spectral line shapes in aqueous solutions, prompting our investigation of the underlying factors responsible for these differences. Through our experimental and theoretical calculations, we identified the presence of the hydrogen-bond-induced Fermi resonance as the primary contributor to the varied line shapes of small esters in aqueous solutions. Furthermore, our findings revealed that the skeletal deformation mode plays a crucial role in the Fermi resonance for all small esters. Specifically, the first overtone band of the skeletal deformation mode intensifies when hydrogen bonds form with the carbonyl group of esters, whereas such coupling is rare in aprotic organic solvents. These spectral insights carry significant implications for the utilization of esters as infrared probes in both biological and chemical systems.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.3c06698}, author = {Sakpal, Sushil and Chakrabarty, Suranjana and Reddy, Kambham Devendra and Deshmukh, Samadhan H. and Biswas, Rajib and Bagchi, Sayan and Ghosh, Anup} } @article {49311, title = {Photo and pH dual stimuli-responsive block copolymer micelles with defined incorporation of o-nitrobenzyl units in poly(ε-caprolactone) ε-caprolactone) block for controlled release}, journal = {European Polymer Journal}, volume = {220}, year = {2024}, month = {NOV}, pages = {113501}, type = {Article}, abstract = {
A series of dual stimuli-responsive block copolymers with varying content of photocleavable o-nitrobenzyl (ONB) ester group pendent in the hydrophobic poly(epsilon-caprolactone) block and pH-cleavable acetal linkage at the junction with hydrophilic poly(ethylene glycol) block is synthesized. The hydrophobic block is a random copolymer synthesized by ring-opening copolymerization of epsilon-caprolactone and ONB-substituted epsilon-caprolactone containing varying compositions of the two monomers. Kinetics of polymerization shows that ONBfunctionalized monomer has lower reactivity than that of the unsubstituted monomer. The series of block copolymers shows self-assembly into well-defined spherical micelles of average size of 150-200 nm in aqueous solution. Photocleavage of ONB groups is studied by NMR and UV-vis spectroscopy, and its extent is determined. The two stimuli viz. . UV light and pH are used individually as well as simultaneously to study the controlled release of the encapsulated drug Camptothecin and the synergistic effect of the two stimuli is demonstrated. The effect of varying content of ONB groups is observed on drug release profile. MTT assay showed non-cytotoxic nature of the polymer. Cell uptake and photoinduced release of doxorubicin (DOX) from the micelles in MDAMB-231 cells is demonstrated.
}, keywords = {drug delivery, micelles, O-nitrobenzyl, pH-responsive, Photoresponsive, Poly(epsilon-caprolactone)}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2024.113501}, author = {Avhad, V. Shankarrao and Choudhari, Shakeb N. and Ambade, V. Ashootosh} } @article {49449, title = {photoarchitectonic hydrogel for synergistic in vitro chemo{\textendash}phototherapy of breast cancer}, journal = {Materials Advances}, volume = {5}, year = {2024}, month = {JAN}, pages = {1903-1916}, type = {Article}, abstract = {
Currently, combinatorial therapy has evoked interest in cancer treatment, and may promote achieving a synergistic effect using cancer medicines. Laser-assisted and pH-responsive therapies have attracted significant attention, and their combination leads to high efficiency cancer treatment. Herein, we developed a chemo{\textendash}phototherapeutic hydrogel comprised of doxorubicin (DOX, a chemotherapeutic drug) and zinc phthalocyanine (ZnPc, a phototherapeutic drug) for combinatorial and synergistic treatment of breast cancer. Firstly, we have developed carbon dots (CDs, size of \~{}5 nm) utilizing lignin and folic acid as biocompatible sources. Then doxorubicin was loaded on the surface of the carbon dots\ via\ conjugation (DOX@CDs). Later on, zinc phthalocyanine and acrylic acid derivatives were utilized to develop a laser-responsive hydrogel (ZnPc-PP H). Afterward, doxorubicin-conjugated carbon dots were incorporated into the photoarchitectonic hydrogel to develop a chemo{\textendash}phototherapeutic drug-loaded hydrogel (DOX@CDs{\textendash}ZnPc-PP H). Subsequently, the\ in vitro\ pH-triggering experiments demonstrated that the hydrogel loaded with both DOX and ZnPc could release the drugs in an acidic environment. Interestingly,\ in vitro\ assays confirmed that DOX@CDs{\textendash}ZnPc-PP H could effectively target breast cancer cells (MCF-7). Furthermore, the developed chemo{\textendash}phototherapeutic hydrogel exhibited non-cytotoxic behavior. Owing to laser assisted reactive oxygen species generation from ZnPc present in the hydrogel, the growth of MCF-7 cells was significantly lowered. In conclusion, all experimental outcomes indicate that the photoarchitectonic hydrogel has the potential to be applied in synergistic chemo- and photodynamic therapy of cancer.
}, doi = {https://doi.org/10.1039/D3MA00900A}, author = {Paul, Shatabdi and Yadav, Binduma and Patil, Mahesh D. and Pujari, Anil Kumar and Singh, Umesh and Rishi, Vikas and Bhaumik, Jayeeta} } @article {49066, title = {Photocatalytic CO2 reduction to syngas using nickel phosphide-loaded CdS under visible light irradiation}, journal = {Journal of Physics-Energy}, volume = {6}, year = {2024}, month = {APR }, pages = {025019}, type = {Article}, abstract = {
Photocatalytic CO2 reduction is a sustainable pathway to produce syngas (H-2 + CO), which is a key feedstock for the production of several important liquid fuels on the industrial scale. However, achieving an appropriate tunable ratio of H-2:CO in syngas for commercial purposes is a challenging task. In this work, we present a low-cost and non-noble metal, phosphide-based co-catalyst-Ni2P-loaded cadmium sulfide (CdS) photocatalyst system, for photocatalytic CO2 reduction. As a co-catalyst, Ni2P fosters an efficient charge separation of photoexcited charges generated in the CdS production of syngas. In total, 3 wt.\% Ni2P/CdS exhibited exceptional performance of 50.6 mu mol g(-1) h(-1) in the CO evolution rate and 115 mu mol g(-1) h(-1) in the H-2 evolution rate, with a syngas composition varying from 2 to 4 in the H-2:CO ratio. Furthermore, first-principles density functional theory calculations were performed to study the surface energetics of the catalyst system and the results are found to be consistent with our experimental findings. Indeed, they establish that the composite favors CO2 photoreduction into syngas more efficiently than pure surfaces.
}, keywords = {CdS, CO2 reduction, Photocatalysis, Syngas, transition metal phosphides}, issn = {2515-7655}, doi = {10.1088/2515-7655/ad3676}, author = {Yadav, Poonam and Kumar, Santosh and Velankanni, Nandhakumar and Kuehne, Thomas D. and Gosavi, Suresh and Raghupathy, Ramya Kormath Madam and Bhosale, Reshma and Held, Georg and Shelke, Manjusha and Ogale, Satishchandra} } @article {49219, title = {Photocatalytic regeneration of reactive cofactors with inP quantum dots for the continuous chemical synthesis}, journal = {ACS Catalysis}, volume = {14}, year = {2024}, month = {APR}, pages = {6740-6748}, type = {Article}, abstract = {
The shuttling of redox-active nicotinamide cofactors between the light and dark cycles is the key to the continuous production of biomass in photosynthesis. The replication of such processes in artificial photosynthetic systems demands fast photoregeneration as well as simultaneous integration of these nicotinamide cofactors into the dark cycle. Here, we report the design of an artificial photosynthetic system for the continuous production of butanol via the constant photoregeneration and consumption of nicotinamide cofactors, powered by an indium phosphide quantum dot (InP QD) photocatalyst and alcohol dehydrogenase (ADH) enzyme, respectively. A strong electrostatic attraction between the oppositely charged InP QDs and electron mediators significantly enhanced the charge extraction and utilization processes, enabling a fast (similar to 30 min, with a turn over frequency of similar to 1333 h(-1)), quantitative (\>99\%), and selective photoregeneration of enzymatically active nicotinamide cofactors in the light cycle. These photoregenerated nicotinamide cofactors were further coupled in the dark cycle to trigger the ADH oxidoreductase enzyme for the production of butanol, via sequential as well as simultaneous light-dark cycles. The amount of butanol produced under simultaneous light-dark cycles was higher than the stoichiometric limit, proving the constant regeneration and consumption of nicotinamide cofactors in light and dark cycles, respectively. Thus, a proper design and integration of the InP QD-based photocatalytic cycle with the enzymatic cycle led to the effective electron shuttling between light and dark cycles, as seen in photosynthesis.
}, keywords = {artificial photosynthesis, biologicalcofactors, charge transfer, indiumphosphide, Photocatalysis, quantum dots}, issn = {2155-5435}, doi = {10.1021/acscatal.4c00817}, author = {Chakraborty, Indra Narayan and Jain, Vanshika and Roy, Pradyut and Kumar, Pawan and Vinod, Chathakudath P. and Pillai, Pramod P.} } @article {49262, title = {Phytic acid customized hydrogel polymer electrolyte and prussian blue analogue cathode material for rechargeable zinc metal hydrogel batteries}, journal = {Small}, volume = {20}, year = {2024}, month = {AUG}, type = {Article}, abstract = {
Zinc anode deterioration in aqueous electrolytes, and Zn dendrite growth is a major concern in the operation of aqueous rechargeable Zn metal batteries (AZMBs). To tackle this, the replacement of aqueous electrolytes with a zinc hydrogel polymer electrolyte (ZHPE) is presented in this study. This method involves structural modifications of the ZHPE by phytic acid through an ultraviolet (UV) light-induced photopolymerization process. The high membrane flexibility, high ionic conductivity (0.085 S cm-1), improved zinc corrosion overpotential, and enhanced electrochemical stability value of approximate to 2.3 V versus Zn|Zn2+ show the great potential of ZHPE as an ideal gel electrolyte for rechargeable zinc metal hydrogel batteries (ZMHBs). This is the first time that the dominating effect of chelation of phytic acid with M2+ center over H-bonding with water is described to tune the gel electrolyte properties for battery applications. The ZHPE shows ultra-high stability over 360 h with a capacity of 0.50 mAh cm-2 with dendrite-free plating/stripping in Zn||Zn symmetric cell. The fabrication of the ZMHB with a high-voltage zinc hexacyanoferrate (ZHF) cathode shows a high-average voltage of approximate to 1.6 V and a comparable capacity output of 63 mAh g-1 at 0.10 A g-1 of the current rate validating the potential application of ZHPE. A novel phytic acid (PA) modulated zinc hydrogel polymer electrolyte (ZHPE) as an efficient electrolyte and separator for rechargeable Zn-metal hydrogel batteries (ZMHB) is designed. The zincophilic, and hydrogen bonding characteristics of ZHPE help in regulating uniform dendrite-free Zn-deposition over the Zn anode surface. ZHPE in combination with the developed high-voltage zinc hexacyanoferrate (ZHF) cathode performs as an efficient ZMHB. image
}, keywords = {high voltage cathode, high-conducting gel polymer electrolyte, phytic acid, rechargeable Zn-metal hydrogel batteries, Zn hydrogel polymer electrolyte}, issn = {1613-6810}, doi = {10.1002/smll.202311923}, author = {Dilwale, Swati and Puthiyaveetil, Priyanka Pandinhare and Babu, Athira and Kurungot, Sreekumar} } @article {49101, title = {Polymer nanocomposites with UiO-derived zirconia fillers for energy generation and pressure-sensing devices: the role of crystal structure and surface characteristics}, journal = {ACS Applied Nano Materials}, volume = {7}, year = {2024}, month = {MAR }, pages = {5809-5818}, type = {Article}, abstract = {
Piezoelectric energy harvesting and pressure sensing using polymer nanocomposites have opened up promising avenues in the field of flexible electronics. Herein, the influence of varying crystal structures of zirconia nanoparticles on a piezoelectric energy-generating zirconia-poly(vinylidene difluoride) (PVDF) composite is investigated, and the fabrication of a security alert pavement unit using the material with an optimized composition is demonstrated. More specifically, two metal-organic frameworks, UiO-66 and UiO-67, were employed to synthesize four different types of zirconia nanoparticles with precise control of the monoclinic and tetragonal phases. Polymer nanocomposite with monoclinic zirconia nanoparticles derived from UiO-66 (ZrO2-66m) performed better than other derivatives with 61\% enhancement in the beta phase with respect to pure PVDF. It was hypothesized that the stable crystalline structure of the monoclinic phase might act as a better nucleating agent, and among monoclinic derivatives, ZrO2-66m was found to be more hydrophobic, probably enabling a better interaction with PVDF. Subsequently, a prototype device with a PVDF-ZrO2-66m (P/66m) film was made and tested for its energy generation. The maximum output voltage generated by the device under an irregular biomechanical hand tapping force of 8-9 N was 80 V, while the maximum open circuit current was found to be 65 mu A. The prototype displayed a power of 2162.24 mu W at a load resistance of 1 M Omega. A laboratory scale demonstration was executed with the prototype as an energy-generating and security alert pavement unit. A wireless, Bluetooth-based security alert system supported by an Android application was developed and demonstrated as a promising application with the fabricated prototype. The results and demonstrations validate that the PVDF-monoclinic ZrO2 nanoparticle nanocomposites will be an excellent value addition for flexible, durable energy generation and pressure-sensing applications.
}, keywords = {energy generation and pressure sensing, piezoelectric materials, PVDF/ZrO2 polymernanocomposite, self-powered devices, wearable electronics}, doi = {10.1021/acsanm.3c04730}, author = {Mukherjee, Gargi and Verma, Ankur and Madhu, Arjun Hari and Prasad, Bhagavatula L. V. and Karumuthil, Subash Cherumannil} } @article {49658, title = {Polymeric PEI/PEG coated optical fiber fabry-perot interferometer for CO2 detection}, journal = {IEEE Sensors Journal}, volume = {24}, year = {2024}, month = {DEC }, pages = {40883-40889}, type = {Article}, abstract = {
Monitoring carbon dioxide (CO2) gas is essential for numerous applications, but the detection of CO2 in miniaturized devices presents significant challenges. In this study, a polyethyleneimine/poly(ethylene glycol) (PEI/PEG) coated optical fiber Fabry-Perot interferometer (FPI) and its charge transfer process toward CO2 are investigated. Scanning electron microscopy and Fourier transform infrared spectroscopy were used to analyze the surface morphology and vibration bands of the PEI/PEG composite. The PEI/PEG composite Fabry-Perot (FP) cavity of length similar to 13 mu m is coated at the distal end of the single-mode fiber using a dip coating technique. A highly sensitive optical and low-cost FPI probe fabrication has displayed a linear sensitivity of 17.10 nm/\% in the range of 0.31\%-1.25\% CO2 gas. The response and recovery times of the sensor are in a few tens of seconds. The enhanced performance of the sensor is primarily due to the protonation and charge transfer between CO2 gas molecules and PEI/PEG composite. Due to low-cost fabrication and high sensitivity, this FPI sensor can be used in a range of potential applications in bioprocessing, healthcare, and environmental monitoring.
}, keywords = {dip coating, Fresnel{\textquoteright}s reflection, Interference, monitoring, Optical fiber sensors, Optical fibers, polymer composite, Polymers, refractive index, sensitivity, Sensor phenomena and characterization, sensors, swelling, Temperature sensors}, issn = {1530-437X}, doi = {10.1109/JSEN.2024.3478088}, author = {Pawar, Dnyandeo and Lo Presti, Daniela and Lemma, Enrico D. and Rainer, Alberto and Kumar, Ajay and Kanawade, Rajesh and Silvestri, Sergio and Schena, Emiliano and Massaroni, Carlo} } @article {49075, title = {Polymerized stimuli-responsive microgel hybrids of silver nanoparticles as efficient reusable catalyst for reduction reaction}, journal = {Heliyon}, volume = {10}, year = {2024}, month = {MAR}, pages = {e26244}, type = {Article}, abstract = {
We have showcased the potential of polymerized hydrogels (PGMs) with uniform -sized stimuliresponsive microgel particles as promising alternatives to prevent aggregation in solution based nanoparticle systems. In the current work, we implemented the PGM concept by embedding anionic stimuli -responsive microgels (PNIPAM-co-AAc)-silver (Ag) hybrids within a hydrogel matrix. These PGM@AgNP hybrid materials are used as catalysts for the reduction of 4-nitrophenol (4 -NP) to 4-aminophenol (4 -AP) in the presence of sodium borohydride. UV-VIS spectroscopy is used for studying catalytic activity. In the solution based system, the complete reduction of 4NP to 4 -AP took 30 minutes with pure Ag nanoparticles, 24 minutes with PNIPAM-Ag hybrid (Neutral) microgels and 15 minutes with PNIPAM-co-AAc-Ag (Anionic) hybrid microgels. In contrast PGM containing PNIPAM-co-AAc-Ag hybrids achieved full reduction in just 15 minutes, along with a 3 -minute induction period. For pure Ag nanoparticles, the first -order rate constant is found to be 0.25 min - 1, for PNIPAM-Ag hybrid (Neutral), it is 0.21 min- 1 and for PNIPAM-coAAc-Ag (Anionic), it is 0.5 min- 1 where as for PGM containing anionic microgel hybrids it is found to be 0.8 min - 1. Furthermore, the reusability of the PGM-Ag (anionic) materials for catalytic activity remains unaltered even after several washings. In summary, our study highlights the effectiveness of PGM@AgNP materials as efficient catalysts for the reduction of 4-nitrophenol to 4-aminophenol, indicating their versatile potential in various catalytic applications.
}, keywords = {Light scattering, Microgel-metal hybrids, Nanomaterial catalysts, PNIPAM microgels, Polymerized hydrogel matrix(PGM, Stimuli-responsive microgels}, doi = {10.1016/j.heliyon.2024.e26244}, author = {Pany, Biswajit and Majumdar, Amrito Ghosh and Bhat, Suresh and Si, Satybrata and Yamanaka, Junpei and Mohanty, Priti S.} } @article {49046, title = {Poly(N-vinylpyrrolidone)-assisted crystal growth of zeolitic imidazolate framework (ZIF-67) and electrochemical properties of its derivatives for flexible supercapacitors}, journal = {Crystal Growth and Design }, volume = {24}, year = {2024}, month = {APR }, pages = {3179-3194}, type = {Article}, abstract = {
A simple and explicit wet chemical method enables the room-temperature crystallization of the zeolitic imidazolate framework (ZIF-67) using cotton-cloth (CC) as a substrate; where time-dependent Avrami{\textquoteright}s kinetic studies demonstrated sluggish nucleation and fast crystal growth resulting in unprecedented morphologies-truncated cubes [synthesized without poly(N-vinylpyrrolidone); PVP], and rhombic dodecahedra (with PVP) with average sizes ranging from 500 nm to 1.41 mu m; wherein amphiphilic PVP plays a crucial function of structure directing agent by modulation of complex formation and deprotonation equilibria. To study the potential of pristine ZIF-67 (ZP0) and PVP-functionalized ZIF-67 (ZP50, ZP100, and ZP200) grown on the CC substrate for application as a flexible electrode in supercapacitors, ZP0, ZP50, ZP100, and ZP200 were annealed to form CZP0, CZP50, and CZP100, respectively. Areal capacitances of 181 and 214 mFcm(-2) were achieved at a current density of 1 mAcm(-2) and a potential window of 1.6 V for CZP0 and CZP100, respectively, and compared to the derivatives without PVP; CZP100 exhibited a superior energy density of 76.3 mu Whcm(-2) and a capacitance retention of 84.3\% after 5000 cycles at a current density of 0.5 mAcm(-2).
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.3c01329}, author = {Jain, Manisha and Joshi, Bhavana and Poddar, Pankaj} } @article {49096, title = {Poly(d,l-lactide-co-glycolide) surface-anchored biotin-loaded irinotecan nanoparticles for active targeting of colon cancer}, journal = {ACS Omega }, volume = {9}, year = {2024}, month = {JAN }, pages = {3807-3826}, type = {Article}, abstract = {
A poly-(d,l-lactide-co-glycolide) (PLGA) copolymer was synthesized using the ring-opening polymerization of d,l-lactide and glycolide monomers in the presence of zinc proline complex in bulk through the green route and was well characterized using attenuated total reflectance-Fourier transform infrared, H-1 and C-13 nuclear magnetic resonance, gel permeation chromatography, differential scanning calorimetry, X-ray diffraction, matrix-assisted laser desorption/ionization time-of-flight, etc. Furthermore, PLGA-conjugated biotin (PLGA-B) was synthesized using the synthesized PLGA and was employed to fabricate nanoparticles for irinotecan (Ir) delivery. These nanoparticles (PLGA-NP-Ir and PLGA-B-NP-Ir) were tested for physicochemical and biological characteristics. PLGA-B-NP-Ir exhibited a stronger cellular uptake and anticancer activity as compared to PLGA-NP-Ir in CT-26 cancer cells (log p \< 0.05). The accumulation and retention of fluorescence-labeled nanoparticles were observed to be better in CT-26-inoculated solid tumors in Balb/c mice. The PLGA-B-NP-Ir-treated group inhibited tumor growth significantly more (log p \< 0.001) than the untreated control, PLGA-NP-Ir, and Ir-treated groups. Furthermore, no body weight loss, hematological, and blood biochemical tests demonstrated the nanocarriers{\textquoteright} nontoxic nature. This work presents the use of safe PLGA and the demonstration of a proof-of-concept of biotin surface attached PLGA nanoparticle-mediated active targeted Ir administration to combat colon cancer. To treat colon cancer, PLGA-B-NP-Ir performed better due to specific active tumor targeting and greater cellular uptake due to biotin.
}, issn = {2470-1343}, doi = {10.1021/acsomega.3c07833}, author = {Giram, Prabhanjan S. and Nimma, Ramakrishna and Bulbule, Anuradha and Yadav, Amit Singh and Gorain, Mahadeo and Radharani, Nalukurthi Naga Venkata and Kundu, Gopal C. and Garnaik, Baijayantimala} } @article {49342, title = {Polyvalent interaction and confinement to suppress polysulfide dissolution and improve electrocatalysis}, journal = {CATALYSIS SCIENCE \& TECHNOLOGY}, volume = {14}, year = {2024}, month = {JUN }, pages = {3416-3423}, type = {Journal Article}, keywords = {cathode material, HIGH-CAPACITY, Particles, SULFUR CATHODE}, issn = {2044-4753}, doi = {10.1039/d4cy00243a}, author = {Bharathkumar, H. J. and Shivankar, Bhavana R. and Krishnamurty, Sailaja and Chen, Dehong and Caruso, Rachel A. and Krishnamoorthy, Kothandam} } @article {49019, title = { Positive role of polyunsaturated fatty acids on sustainable crop production against salt stress: an overview}, journal = {Biologia}, volume = {79}, year = {2024}, month = {JUN}, pages = {1599-1610}, type = {Review}, abstract = {
Abiotic stresses have become more severe and capricious due to global warming and varying climatic conditions, with increased temperature reducing the yield of important agricultural crops due to high evapotranspiration, resulting in the increased amount of soil salinization in arid and semi-arid areas, which has become a significant threat that restricts agricultural practices and leads to the overexploitation of cultivation land. One of the crucial environmental elements limiting plant development and yield is salinity. The special effects of salt stress on the superiority of numerous crops have yet to be discovered. Under salinity, plants tend to activate multiple physiological and biochemical mechanisms to overcome the stress by altering their morphology, photosynthesis, water relations, and biochemical adaptations, such as the antioxidative metabolism response and trigger polyunsaturated fatty acids (PUFAs), which act as a biomarker for salinity stress. With the help of PUFAs, which have become popular as all-purpose defenders, decorative techniques have been created to prevent the consequences of saline. The most prevalent PUFAs in plants are those with 18 carbons, specifically 18:1 (oleic), 18:2 (linoleic), and 18:3 (alpha-linolenic) acids which operate as glycerolipids, a source of energy and carbon in triacylglycerol, precursors of numerous bioactive chemicals, stores of extracellular barrier components, and intrinsic antioxidants, modulating cellular membranes and enhancing crop quality and yield. However, limited information about PUFAs and their roles in enhancing crop stress tolerance is available. Therefore, producers and breeders must understand salinity{\textquoteright}s influence on crop composition to enhance fatty acids under salinity conditions. However, brief work has been reported; this review will help comprehend the role of fatty acids in salinity for food security through the genetic engineering of synthetic genes encoding fatty acids to improve crop stress tolerance and grain quality.
}, keywords = {Cuticle wax, Membrane lipids, photosynthesis, Polyunsaturated fatty acid, ROS, salt stress, Sensing mechanism, stress tolerance}, issn = {0006-3088}, doi = {10.1007/s11756-024-01644-2}, author = {Srivastava, Smita and Yadav, Sagar} } @article {48940, title = {Potential utility of bacterial protein nanoreactor for sustainable in-situ biocatalysis in wide range of bioprocess conditions}, journal = {Enzyme and microbial technology }, volume = {173}, year = {2024}, month = {FEB}, pages = {110354}, type = {Article}, abstract = {
Bacterial microcompartments (MCPs) are proteinaceous organelles that natively encapsulates the enzymes, substrates, and cofactors within a protein shell. They optimize the reaction rates by enriching the substrate in the vicinity of enzymes to increase the yields of the product and mitigate the outward diffusion of the toxic or volatile intermediates. The shell protein subunits of MCP shell are selectively permeable and have specialized pores for the selective inward diffusion of substrates and products release. Given their attributes, MCPs have been recently explored as potential candidates as subcellular nano-bioreactor for the enhanced production of indus-trially important molecules by exercising pathway encapsulation. In the current study, MCPs have been shown to sustain enzyme activity for extended periods, emphasizing their durability against a range of physical challenges such as temperature, pH and organic solvents. The significance of an intact shell in conferring maximum pro-tection is highlighted by analyzing the differences in enzyme activities inside the intact and broken shell. Moreover, a minimal synthetic shell was designed with recruitment of a heterologous enzyme cargo to demonstrate the improved durability of the enzyme. The encapsulated enzyme was shown to be more stable than its free counterpart under the aforementioned conditions. Bacterial MCP-mediated encapsulation can serve as a potential strategy to shield the enzymes used under extreme conditions by maintaining the internal microen-vironment and enhancing their cycle life, thereby opening new means for stabilizing, and reutilizing the enzymes in several bioprocess industries.
}, keywords = {Bioprocess industries, Encapsulation, Enzyme recycling, Enzyme Stability, Microcompartment, Nanobioreactor}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2023.110354}, author = {Shinde, Yashodhara D. and Chowdhury, Chiranjit} } @article {49434, title = {Power generation with negative CO2 emissions through bio-electricity with CCS using dry co-gasification of coal-biomass blends}, journal = {Clean Technologies and Environmental Policy}, year = {2024}, month = {SEP}, type = {Article; Early Access}, abstract = {
Among the measures proposed for decarbonization of electricity generation, large reductions in CO2 emissions are possible by the adoption of bio-electricity with carbon dioxide capture and sequestration. In the present study, thermodynamic analysis of a thermal power plant that produces electricity through co-gasification of high-ash coal and Casuarina equisetifola (CE), a crop which grows along the Indian coastline, and which is not in competition with other agricultural crops for land and water use, is considered for integrated gasification combined cycle (IGCC) with CO2 capture via oxyfuel combustion and gasification technology. The integrated power plant layout includes the energy required for CO2 gasification of coal, biomass blended fuel, air separation to produce oxygen for oxyfuel combustion as well as for purification and compression of the flue gas up to 30 bar. Simulation results show that a net efficiency of 37\% can be achieved using high-ash Indian coal and CE blends up to 30\% of the latter. Synergetic effect of co-gasification components is observed in mass, molar and thermal energy flowrates for biomass blended fuel. With the help of CCS, CO2 emissions are reduced to 69.91 gCO(2)/kWh for 100\% coal-based IGCC-CC plant and further to -21.69 gCO(2)/kWh (negative CO2 emissions) for 30\% biomass blending, thus paving way for CO2-negative power generation.
}, keywords = {BECCS, Combustion, Dry co-gasification, IGCC-CC plant, Negative CO2 emissions, Oxyfuel, Thermodynamic analysis}, issn = {1618-954X}, doi = {10.1007/s10098-024-03001-y}, author = {Vasireddy, Satyam Naidu and Jayanti, Sreenivas} } @article {49281, title = {Preparation and structural characterization of disordered Na-gallosilicate zeolite with natrolite framework and itsK+ and NH4+ exchanged analogues exchanged analogues}, journal = {JOURNAL OF POROUS MATERIALS}, volume = {31}, year = {2024}, month = {OCT}, pages = {1817-1825}, type = {Journal Article}, issn = {1380-2224}, doi = {10.1007/s10934-024-01631-7}, author = {Gavhane, Manjusha J. and Jha, R. K. and Nam, Kyung-Wan and Bhange, Deu S.} } @article {49254, title = {Pressure swing adsorption of Li exchange hierarchical X zeolite for pure hydrogen from binary gas mixture}, journal = {International Journal of Hydrogen Energy}, volume = {73}, year = {2024}, month = {JUL }, pages = {138-147}, type = {Article}, abstract = {
This study reports the separation of pure hydrogen (H2) employing pressure swing adsorption (PSA). The Li-X and Li-hierarchical X (Li-H-X) zeolite were prepared by an ion exchange process. The sorbents were evaluated through several experiments including, breakthrough, empty bed contact time (EBCT), single-bed, and two-bed PSA with different steps. The effect of pressure, purity, and recovery relationship was developed. The highpressure PSA study was performed at 4, 6, and 10 bar with varying feed flow rates to assess their efficacy in pure H2 separation using binary gas stream (H2/CO2, 75/25 vol.\%). The breakthrough adsorption capacity of Li-H-X exhibited 3.4 mmol g-1 and 0.212 mmol g-1 of CO2 and H2, respectively. Li-H-X shows -8\% higher CO2 sorption capacity than the Li-X sorbent at 1 bar and 300 K due to the large meso-microporous structure of the sorbent. The two-bed PSA purity and recovery were found higher than single-bed PSA. Using two-bed PSA, the Li-H-X achieved a 99.5\% of purity, 92.9\% of recovery, and 10.4 mL min-1 g-1 of productivity, which was -16\% higher recovery and productivity than single-bed PSA at a flow rate of 1200 mL min-1 at 6 bar. With increasing the pressure and flow rate, the recovery of Li-H-X was enhanced up to 93.7\% with 99.1\%-99.9\% H2 purity. The long-term PSA was run using Li-H-X sorbent for 7.5 h with 230 cycles with H2 purity between 98.5 and 99.5\% at 6 bar. Interestingly, the adsorbent shows the scalability of PSA for efficient H2 separation for a binary mixture of H2/CO2.
}, keywords = {adsorbent, Binary gas mixture, Hydrogen purification, Li-H-X, Mesoporous zeolite, Pressure swing adsorption}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2024.06.011}, author = {Shrotri, Aadesh R. and Birje, Amit R. and Nandanwar, Sachin U.} } @article {49344, title = {Probing surface interactions in CdSe quantum dots with thiocyanate ligands}, journal = {NANOSCALE}, volume = {16}, year = {2024}, month = {AUG }, pages = {14922-14931}, type = {Journal Article}, keywords = {COLLOIDAL NANOCRYSTALS, STRUCTURAL DYNAMICS, Thin-films}, issn = {2040-3364}, doi = {10.1039/d4nr01507j}, author = {Deshmukh, Samadhan H. and Yadav, Sushma and Chowdhury, Tubai and Pathania, Akhil and Sapra, Sameer and Bagchi, Sayan} } @article {49361, title = {Probing the energy landscape of the lipid interactions of the serotonin 1A receptor}, journal = {Biophysical Chemistry}, volume = {313}, year = {2024}, month = {OCT}, pages = {107289}, type = {Article}, abstract = {
G protein-coupled receptors (GPCRs) are lipid-regulated transmembrane proteins that play a central role in cell signaling and pharmacology. Although the role of membrane lipids in GPCR function is well established, the underlying GPCR-lipid interactions have not been thermodynamically characterized due to the complexity of these interactions. In this work, we estimate the energetics and dynamics of lipid association from coarse-grain simulations of the serotonin1A receptor embedded in a complex membrane. We show that lipids bind to the receptor with varying energetics of 1-4 kT, and timescales of 1-10 mu s. The most favorable energetics and longest residence times are observed for cholesterol, glycosphingolipid GM1, phosphatidylethanolamine (PE) and phosphatidylserine (PS) lipids. Multi-exponential fitting of the contact probability suggests distinct dynamic regimes, corresponding to ps, ns and mu s timescales, that we correlate with the annular, intermediate and nonannular lipid sites. The timescales of lipid binding correspond to high barrier heights, despite their relatively weaker energetics. Our results highlight that GPCR-lipid interactions are driven by both thermodynamic interactions and the dynamical features of lipid binding.
}, keywords = {GPCR-lipid interactions, Lipid energetics, Lipid residence time, Molecular dynamics simulations, Serotonin 1 a receptor}, issn = {0301-4622}, doi = {10.1016/j.bpc.2024.107289}, author = {Mohole, Madhura and Naglekar, Amit and Sengupta, Durba and Chattopadhyay, Amitabha} } @article {49436, title = {Proteome dataset of Candida albicans (ATCC10231) opaque cell}, journal = {BMC Research Notes}, volume = {17}, year = {2024}, month = {JAN}, type = {Article}, abstract = {
Objectives

Candida albicans, a polymorphic yeast, is one of the most common, opportunistic fungal pathogens of humans. Among the different morphological forms, opaque form is one of the least-studied ones. This opaque phenotype is essential for mating and is also reported to be involved in colonizing the gastrointestinal tract. Considering the significance of the clinical and sexual reproduction of\ C. albicans, we have investigated the morphophysiological modulations in opaque form using a proteomic approach.

Data description

In the current investigation, we have used Micro-Liquid Chromatography-Mass Spectrometry (LC-MS/MS) analysis to create a protein profile for opaque-specific proteins. Whole-cell proteins from\ C. albicans\ (ATCC10231) cells that had been cultured for seven days on synthetic complete dextrose (SCD) medium in both as an opaque (test) and as a white (control) form cells were extracted, digested, and identified using LC-MS/MS. This information is meant to serve the scientific community and represents the proteome profile (SWATH Spectral Libraries) of\ C. albicans\ opaque form.
}, author = {Zore, Gajanan and Abdulghani, Mazen and Kodgire, Santosh and Kazi, Rubina and Shelar, Amruta and Patil, Rajendra} } @article {49218, title = {Purification of waste-generated biogas mixtures using covalent organic framework{\textquoteright}s high CO2 Selectivity}, journal = {ACS APPLIED MATERIALS \& INTERFACES}, volume = {16}, year = {2024}, month = {APR}, pages = {22066-22078}, type = {Journal Article}, keywords = {CAPTURE, CARBON-DIOXIDE, Efficiency, Energy, Hydrogen, STORAGE}, issn = {1944-8244}, doi = {10.1021/acsami.4c03245}, author = {Paul, Ratul and Maibam, Ashakiran and Chatterjee, Rupak and Wang, Wenjing and Mukherjee, Triya and Das, Nitumani and Yellappa, Masapogu and Banerjee, Tanmay and Bhaumik, Asim and Venkata Mohan, S. and BabaRao, Ravichandar and Mondal, John} } @article {49206, title = {Pyridazine-Based Aggregation Induced Emission Active Conjugates: Synthesis, Single Crystal XRD Analysis, and Self-Assembly Assessment}, journal = {CHEMISTRYSELECT}, volume = {9}, year = {2024}, month = {OCT}, keywords = {AIE, Pyridazine, Self-assembly, Single crystal}, issn = {2365-6549}, doi = {10.1002/slct.202403058}, author = {Waghchoure, Aishwarya P. and Sangale, Vijay B. and Shaligram, Parth S. and Lambud, Sushil and Pardeshi, Satish K. and Gonnade, Rajesh G. and Bandaru, Sateesh and More, Sandeep and Reddy, J. Prakasha and Bhosale, Rajesh S.} } @article {49058, title = {Quasi-molecular hydrogen storage capacity of graphene quantum dots: A dispersion corrected DFT study}, journal = {Journal of Energy Storage}, volume = {84}, year = {2024}, month = {APR }, type = {Article}, abstract = {
Efficient storage of hydrogen, green fuel with the highest energy density, remains a pressing challenge. Among the several materials investigated for their potential hydrogen storage, 2D materials, like graphene, have advantages such as mechanical strength and large surface area but fail to store hydrogen reversibly. In this context, the present computational experiment demonstrates the potential of Graphene Quantum Dots (GQDs) with 24, 40 and 42 carbon atoms for their hydrogen storage capacity in quasi-molecular mode. Factors such as edge terminations, heteroatom doping, and anchoring of metal atoms are evaluated as a function of their storage capacity. The study clearly demonstrates an enhanced storage capacity of quantum dots, particularly, when a single Ti adatom is anchored on a 24 carbon atom GQD with a storage weight \% of 2.24 \% w/w. The storage weight \% is further noted to increase as a function of the number of Ti atoms anchored on the GQD with the highest hydrogen storage weight \% of 6.1 \% w/w. Importantly, the adsorption of hydrogen molecule on the Ti atom is through a quasi-molecular mode and is driven by Kubas interaction. This type of interactions makes GQDs as viable storage materials at room temperature. Secondly, the work demonstrates that GQDs offer higher storage capacities of hydrogen molecules as compared to their 2D counterparts viz., graphene sheets, making them attractive candidates to be explored experimentally.
}, keywords = {Density functional theory, graphene quantum dots, Hydrogen storage, Kubas interaction, Quasi -molecular adsorption, Ti adatom}, issn = {2352-152X}, doi = {10.1016/j.est.2024.110833}, author = {Khadilkar, Pranav and Samudre, Nikhil S. and Krishnamurty, Sailaja} } @article {49329, title = {Rational design of zero-dimensional manganese(II) halide hybrids with suppressed melting temperatures}, journal = {JOURNAL OF PHYSICAL CHEMISTRY C}, volume = {128}, year = {2024}, month = {AUG }, pages = {14849-14859}, type = {Journal Article}, keywords = {ORGANIC-INORGANIC PEROVSKITES, TRANSITION}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.4c04444}, author = {Singh, Shivangi and Marayathungal, Jumana Hasin and Das, Deep Kumar and Khan, Akram Aadil and Bakthavatsalam, Rangarajan and Hathwar, Venkatesha R. and Kundu, Janardan} } @article {49429, title = {Rational monomer design for the synthesis of conjugated polymers by direct heteroarylation polymerization}, journal = {ACS Polymers Au}, volume = {4}, year = {2024}, month = {JUL}, pages = {449{\textendash}459}, type = {Article}, abstract = {
This study focuses on the design concepts that contribute to the C{\textendash}H activation in bithiophene-flanked monomers incorporating naphthalene diimide (NDI), perylene diimide (PDI), and fluorene (FLU) and their polymerization by direct heteroarylation. Density functional theory (DFT) calculations reveal distinct energy requirements for C{\textendash}H bond abstraction, which is dictated by the electron-withdrawing strength of the central aromatic core flanked by bithiophene. These provide insights into the reactivity of each monomer for C{\textendash}H bond activation. Proton NMR spectroscopic experimental results confirm the favorable energetic profiles predicted by DFT, with NDI- and PDI-flanked monomers exhibiting lower energy requirements than fluorene-flanked monomers. Successful polymer synthesis is demonstrated for NDI and PDI, while the fluorene-flanked monomer shows challenges due to its higher energy demands.
}, doi = {https://doi.org/10.1021/acspolymersau.4c00050}, author = {Kakde, Navnath R. and Sharma, Himanshu and Dalvi, Nitin V. and Vanka, Kumar and Asha, S. K} } @article {49270, title = {Reaction kinetics for catalytic hydrogenation of quinoline to decahydroquinoline as liquid organic hydrogen carrier}, journal = {International Journal of Hydrogen Energy}, volume = {92}, year = {2024}, month = {NOV}, pages = {102-112}, type = {Article}, abstract = {
The catalytic hydrogenation of quinoline to decahydroquinoline (DHQ) formation is studied for various parameters such as temperature, hydrogen pressure, reaction time, solvents, reactant-to-solvent ratio, and catalyst loading over 5\%Pd loaded on alumina (Pd/Al2O3) to obtain optimal reaction conditions. The hydrogen uptake of quinoline in the liquid phase reaction using isopropylalcohol (IPA) is studied in an autoclave reactor. The optimum reaction parameters of 50 bar H2 pressure and 175oC with reactant to solvent ratio of 1:9 for reaction time of 5 h are observed. The effect of IPA solvent showed that hydrogen uptake of 6.91 wt\% with complete hydrogenation of quinoline and DHQ yield of more than 99\% is observed. The reaction kinetic model is developed for a simplified reaction mechanism and is simulated using the Markov Chain Monte Carlo (MCMC) simulation tool to predict the rate constants and the experimental observations are validated with the model predictions. The activation energy for quinoline hydrogenation to py-THQ formation is estimated to be 136.57 kJ/mol. It is envisaged that quinoline hydrogenation to pz-THQ is the rate-limiting step in the DHQ formation.
}, keywords = {Decahydroquinoline (DHQ), Hydrogen uptake, Liquid organic hydrogen carrier (LOHC), Markov chain Monte Carlo (MCMC) simulation, Thermal screening unit (TSU), tool}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2024.10.247}, author = {Bagwan, Farahanaz M. and Kinage, Anil K. and Vasireddy, Satyam Naidu} } @article {49650, title = {Reaction of 4 (Alkynyloxy)cyclohexa-2,5-dienones with Dimethyl Sulfoxide: a catalyst-free formation of 6/5/3-fused tricyclic enones}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2024}, month = {DEC}, pages = {653-657}, type = {article}, abstract = {
6/5/3-Fused tricyclic enones were obtained when 4-(alkynyloxy)cyclohexa-2,5-dienones were treated with DMSO at 150 {\textdegree}C. The reaction proceeded via a four-membered oxathietene intermediate. The protocol developed is atom economical, has a broad substrate scope, and is amenable to gram-scale synthesis. The products obtained are susceptible to further synthetic transformations.
}, doi = {https://doi.org/10.1021/acs.joc.4c02553}, author = {Rai, Archana and Das, Utpal} } @article {49346, title = {Reactive distillation configuration for the production of ethyl acrylate}, journal = {CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION}, volume = {203}, year = {2024}, month = {SEP}, type = {Journal Article}, keywords = {ACETIC-ACID, CYCLOHEXYL ACETATE, Design, Dimethyl carbonate}, issn = {0255-2701}, doi = {10.1016/j.cep.2024.109864}, author = {Gore, Jayram I. and Mahajani, Sanjay M. and Mali, Nilesh A.} } @article {49227, title = {Ready access to [5,6,5]-Trioxa-spiro and fused ketals via ag-catalyzed cascade annulation of 4-pentyn-1-ols and aldehydes}, journal = {Organic Letters}, volume = {26}, year = {2024}, month = {AUG}, pages = {7116-7121}, type = {Article}, abstract = {
In this study, we unveil the versatility of 4-pentyn-1-ols as carbonyl surrogates for the unprecedented synthesis of diverse oxygen heterocycles, including [5,6,5]-bis-spiroketals (trioxadispiroketals) and [5,6,5]-furano-spiroketals related to bioactive natural products. These reactions commence with the pi-activation-induced intramolecular hydroalkoxylation of 4-pentyn-1-ols, yielding cyclic enol ethers, which undergo subsequent three-component annulation with aldehydes in a [2+2+1+1] fashion, resulting in the formation of [5,6,5]-bis-spiroketals. Notably, the distinctive steric features of alkynyl alcohols, particularly those with a secondary or tertiary alcohol functionality, dictate divergent reaction pathways, leading to the formation of [5,6,5]-furano-spiroketals.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.4c02357}, author = {Vinodkumar, Ramavath and Nakate, Ashwini K. and Gamidi, Rama Krishna and Kontham, Ravindar} } @article {49263, title = {Reconstituting the microstructural properties and ionic conductivity of copper - doped yttria-stabilized zirconia via mechanochemical synthesis for intermediate-temperature solid oxide fuel cell applications}, journal = {CERAMICS INTERNATIONAL}, volume = {50}, year = {2024}, month = {OCT }, pages = {35178-35192}, type = {Journal Article}, keywords = {ELECTRICAL-PROPERTIES, OPTICAL-PROPERTIES, THERMAL-STABILITY, TRANSITION-METAL}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2024.06.326}, author = {Momin, Naeemakhtar and Manjanna, J. and Kobayashi, Satoru and Aruna, S. T. and Kumar, S. Senthil and Ahmad, Tokeer and Nayaka, G. P. and Mubeen, B. and Sabale, Sandip and Kangralkari, Mrunal V. and Keri, Rangappa S.} } @article {49070, title = {Reduced graphene oxide/tungsten oxide (rGO/WO3): a versatile nanocomposite for enhanced detection of acetone}, journal = {Journal of Materials Science-Materials In Electronics}, volume = {35}, year = {2024}, month = {FEB}, pages = {264}, type = {Article}, abstract = {
In this study, we report a straightforward method for synthesizing semi-cubical nanostructures of tungsten trioxide (WO3) loaded with reduced graphene oxide (rGO) via a hydrothermal approach. Furthermore, the systematic investigations were made towards the improved gas sensing capabilities of these nanostructures for acetone. The use of semi-cubical rGO/WO3 nanostructures demonstrate the provision of efficient gas diffusion routes via a meticulously arranged mesoporous framework. Hence, it leads to a significant improvement in the sensing response towards acetone. The analysis of the sensing capabilities demonstrates that the response of the sensor is influenced by variations in operating temperature and gas concentration. It is seen that the inclusion of rGO not only enhances the sensing response but also gives quick response and recovery, which are measured to be 12 and 33 s, respectively. The WO3 sensor loaded with 0.1 wt\% rGO demonstrates a discerning reaction to acetone, exhibiting a high response of 93.60\% than that of the unmodified WO3 sensor (76.30\%). The gas sensing properties are explained through the role of rGO and the structural and morphological properties of the developed nanostructures.
}, issn = {0957-4522}, doi = {10.1007/s10854-023-11869-7}, author = {Patil, Abhijeet P. and Gaikwad, Mayur A. and Nadargi, Jyoti D. and Shaikh, Hamid and Alam, Mohammad Asif and Tamboli, Mohaseen S. and Kim, Jin Hyeok and Mulla, Imtiaz S. and Suryavanshi, Sharad S.} } @article {49332, title = {Regio- and stereoselective construction of 1,3,5-triaroylcyclohexanes via KO t Bu-mediated cyclotrimerization of aryl vinyl ketones}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {NOV }, pages = {17207-17212}, type = {Article}, abstract = {
Herein, we disclose a simple one-pot method for an efficient regio- and stereoselective synthesis of 1,3,5-triaroylcyclohexanes from aryl vinyl ketones using potassium tert-butoxide. The developed protocol allows the construction of various symmetrically substituted cyclohexanes in good to excellent yields. The major product 2 also can be converted to the product 3 (all equatorial) conveniently by acid catalysis. This protocol features a good substrate scope and functional group compatibility.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c01695}, author = {Mahale, Sachin D. and Yadav, Vinita and Gonnade, Rajesh G. and Mhaske, Santosh B.} } @article {48945, title = {Regulating the polyethylene microstructure by increasing steric crowding in naphthoxy imine-ligated Ni(II) complexes}, journal = {Polymer Chemistry}, volume = {15}, year = {2024}, month = {JAN }, pages = {292-302}, type = {Journal Article}, abstract = {
Ligands play a prominent role in ethylene polymerization. However, it is a highly challenging task to regulate branching through ligand modifications. Here we report the synthesis of systematically sterically tailored naphthoxy imine-ligated nickel complexes (Ni1, Ni2, and Ni3), their performance in ethylene polymerization, and how the ligand steric controls branching in the resultant PE. Ni1-Ni3 were prepared in one step with an excellent yield (73-93\%). The identity of these complexes was unambiguously ascertained using H-1, C-13, 2D NMR spectroscopy, mass analysis, and single-crystal X-ray diffraction. The molecular structure revealed a cis arrangement of alkyl/aryl and donor groups (C-Ni-D), which is necessary for initiating ethylene polymerization. Buried volume contours suggested Ni3 to be sterically the most bulky among the three. When exposed to ethylene, the three nickel complexes Ni1, Ni2, and Ni3 produced polyethylene with excellent activity. As predicted by buried volume calculations, dibenzhydryl-substituted Ni3 outperformed sterically less crowded Ni1 and Ni2. Careful analysis of the resultant PE disclosed that sterically less encumbered Ni1 and Ni2 produce PE with high branching (43-54 branches/1000-C atoms) density. However, the bulkiest Ni3 revealed much lower branching (28 branches/1000-C atoms) and a high TOF of 35 400 mol of PE per mol of Ni per h, along with a high molecular weight of PE (61 000 Da). The steric bulk in Ni3, most likely, reduces chain-walking and thus lowers branching in the resultant PE. As compared to the literature-reported analogous Pd1 catalyst, the Ni3 catalyst discloses high TOF, high molecular weight, and less branched, linear polyethylene.
}, keywords = {Catalyzed Olefin Polymerization, High-Temperature, Molecular Weight}, issn = {1759-9954}, doi = {10.1039/d3py01010d}, author = {Birajdar, Rajkumar S. and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {49364, title = {Relaxation of the 2a1 ionized water dimer: an interplay of intermolecular Coulombic decay (ICD) and proton transfer processes}, journal = {Journal of Chemical Physics}, volume = {160}, year = {2024}, month = {JUN }, pages = {214302}, type = {Article}, abstract = {
This article investigates the relaxation dynamics of the ionized 2a(1) state of a water molecule within a water dimer. The study was motivated by findings from two previous pieces of research that focused on the relaxation behaviors of the inner-valence ionized water dimer. The present study discloses an observation indicating that water dimers display specific fragmentation patterns following inner-valence ionization, depending on the position of the vacancy. Vacancies were created in the 2a(1) state of the proton-donating water molecule (PDWM) and proton-accepting water molecule (PAWM). Utilizing Born-Oppenheimer molecular dynamics simulations, the propagation of the 2a(1) ionized state was carried out for both scenarios. The results revealed proton transfer occurred when the vacancy resided in the PDWM, accompanied by the closing of decay channels for O-H bond distance (RO-H) \> 1.187 \& Aring; (matching Richter et al.{\textquoteright}s findings). Conversely, when vacancy was on PAWM, we observed no closing of decay channels (aligning with Jahnke et al.{\textquoteright}s findings). This difference translates to distinct fragmentation pathways. In PDWM cases, 2a(1) state ionization leads to H3O+ -OH center dot formation. In contrast, PAWM vacancies result in decay pathways leading to H2O+-H(2)O(+ )products.
}, issn = {0021-9606}, doi = {10.1063/5.0199888}, author = {Kumar, Ravi and Ghosh, Aryya and Vaval, Nayana} } @article {49025, title = {Remarkable SO2 and H2S resistant ability on CO oxidation by unique Pd/WO3 3D hollow sphere nanocatalyst: correlating structure-activity relationships on SO2 exposure}, journal = {ACS Applied Energy Materials}, volume = {7}, year = {2024}, month = {JAN }, pages = {1476-1487}, type = {Article}, abstract = {
We report a simple inorganic route for synthesizing a Pd/WO3 3D hollow sphere nanocatalyst, where Pd nanoparticles are encapsulated and well distributed on porous tungsten oxide nanospheres. The synthesis protocol has advantages, as it requires no surfactant or stabilizing agent, Pd loading is easily tuned, and the as-synthesized nanomaterials can be directly used as catalysts for the CO oxidation reaction. The synthesized nanocatalyst exhibited 100\% CO to CO2 conversion efficiency at 260 degrees C. In addition, the nanocatalyst demonstrated remarkable SO2 (3 ppm) tolerance during the CO oxidation reaction for prolonged SO2 sulfation of 1-21 h at 260-400 degrees C. This represents the longest SO2 exposure time reported to date based on a single metal Pd/support-based nanocatalyst. No decrement in CO conversion efficiency was observed even after SO2 (3 ppm) treatment for 21 h for the first time based on a single metal Pd-based nanocatalyst. Moreover, the synthesized nanocatalyst shows H2S (4 ppm), even in situ H2S tolerance during the CO oxidation reaction at 260 degrees C for 1-3 h and exhibited less sensitivity to prolonged and stringent sulfur exposure, with the highest H2S concentration and maximum 100\% CO to CO2 conversion efficiency obtained after H2S treatment for the first time based on a Pd-based nanocatalyst to the best of our knowledge. The composition and structure of the R-Pd/WO3 nanocatalyst were not much influenced, even after the prolonged SO2 and H2S exposure during the CO oxidation reaction, as verified from spent catalyst analysis. Finally, our DFT-based model provides insights into understanding the observed sulfur resistance on Pd/WO3 by analyzing the underlying electronic structure. Therefore, our strategic synthesis methodology will open up many opportunities to select Pd/metal oxide-based nanomaterials for designing highly efficient, stable, and SO2/H2S-resistant nanocomposite catalyst.
}, keywords = {CO oxidation, DFT calculation, nanocatalyst, palladium (Pd), SO2 andH(2)S resistant ability, structure-activityrelationships, tungstenoxide (WO3)}, issn = {2574-0962}, doi = {10.1021/acsaem.3c02664}, author = {Jeyavani, Vijayakrishnan and Kondhekar, Deepali and Bhati, Meema and Dev, Sahil and Joshi, Kavita and Devi, R. Nandini and Mukherjee, Shatabdi Porel} } @article {49210, title = {Renewable synthesis of MoO3 nanosheets via low temperature phase transition for supercapacitor application}, journal = {SCIENTIFIC REPORTS}, volume = {14}, year = {2024}, month = {SEP }, pages = {20503}, type = {Journal Article}, keywords = {alpha-MoO3, h-MoO3, Mixed phases (h and alpha) of MoO3, Renewable green synthesis, Very low temperature phase transition}, issn = {2045-2322}, doi = {10.1038/s41598-024-69765-x}, author = {Sankar, K. N. Amba and Kesavan, Lokesh and Saha, Bikash and Jyolsnaraj, M. K. and Mohan, S. and Nandakumar, P. and Mohanta, Kallol and Kvarnstroem, Carita} } @article {48989, title = {Repurposing phytochemicals of Citrullus colocynthis against maltase-glucoamylase using molecular docking, MMGBSA, MD simulation and linear regression to identify potential anti-diabetic compounds}, journal = {Journal of biomolecular structure and dynamics}, volume = {42}, year = {2024}, month = {JUL }, pages = {5197-5206}, type = {Article}, abstract = {
Diabetes is a common lifestyle disorder found in populations of different age groups. Maltase-glucoamylase catalyses the release of the glucose molecule in the final enzymatic reaction of starch digestion; therefore, inhibition of maltase-glucoamylase is one of the approaches in the development of therapeutics for diabetes. Citrullus colocynthis is commonly recommended in Ayurveda for the treatment of diabetes. The current study applied a structure-based drug design approach to repurpose the phytochemicals of Citrullus colocynthis to identify potential inhibitors for maltase-glucoamylase. 70 phytochemicals of Citrullus colocynthis were screened against maltase-glucoamylase and top 5 molecules 8-p-hydroxybenzylisovitexin, isoorientin, cucurbitacin B, cucurbitacin E, and cucurbitacin I with significant binding energy of -10 kcal/mol, -9.9 kcal/mol, -9.6 kcal/mol, -9.2 kcal/mol, and -7.7 kcal/mol were identified. Furthermore, MMGBSA, pharmacokinetics properties and toxicity prediction were performed on the five identified molecules and top 3 molecules were selected for molecular dynamics (MD) simulation. It was observed from the structural flexibility and dynamic behaviour of the systems that conformational changes were noticed in the complexes as compared to its native state, which suggests that the 3 molecules, namely 8-p-hydroxybenzylisovitexin, isoorientin, and cucurbitacin I of Citrullus colocynthis may act as inhibitors for maltase-glucoamylase.Communicated by Ramaswamy H. Sarma
}, keywords = {Citrullus colocynthis, Diabetes, linear regression, molecular dynamics simulation, phytochemicals}, issn = {0739-1102}, doi = {10.1080/07391102.2023.2225107}, author = {Sahu, Parameswar and Sahoo, Rosaleen and Sahu, Abhishek Kumar and Saluja, Sundeep Singh and Behera, Banshidhar} } @article {49192, title = {Resorcinol-Azodianiline Covalent Organic Framework Supported FeOOH Quantum Dot-Catalyzed Electrochemical Ammonia Synthesis under Ambient Conditions}, journal = {CHEMISTRY OF MATERIALS}, volume = {36}, year = {2024}, month = {AUG}, pages = {8229-8238}, type = {Journal Article}, keywords = {conversion, nitrogen, Recent Progress, reduction}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.4c00859}, author = {Shekhar, Pragalbh and Kosugi, Kento and Singh, Himan Dev and Kushwaha, Rinku and Rase, Deepak and Matsuzaki, Takumi and Jain, Chitvan and Singh, Piyush and Singh, Yashraj and Vinod, Chathakudath Prabhakaran and Kondo, Mio and Masaoka, Shigeyuki and Vaidhyanathan, Ramanathan} } @article {48906, title = {Review on microbial 1, 3-propanediol production: Emerging strategies, key hurdles and attainable solutions to re-establish its commercial interest}, journal = {Industrial Crops and Products}, volume = {209}, year = {2024}, month = {MAR}, type = {Article}, abstract = {
1,3-propanediol (1,3-PDO) is a vital value-added bi-functional compound that has numerous uses in the industrial sector including the polymer, pharmaceutical, food, and cosmetics industries. 1,3-PDO biosynthesis from renewable resources through green methods has received considerable attention. However, technical difficulties such as low product titer, by-product accumulation, and incomplete substrate consumption impede its sustainable production at the industrial scale. Hence, understanding the overall 1,3-PDO process development with integrated knowledge of techno-economics would help to build more production facilities across the world. In this view, the biotechnological production of 1,3-PDO is systematically reviewed briefing the synthesis routes, microbial strains, metabolic pathways, and fermentation modes along with several purification strategies. The present review also summarizes key hurdles in 1,3-PDO production and discusses the attainable solutions to achieve higher product titer. Finally, the economic viability of 1,3-PDO biosynthesis is described based on the existing research.
}, keywords = {3-Propanediol, Fermentation processes, Glycerol, Purification strategies, Techno-economical assessment}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2023.117961}, author = {Nimbalkar, Pranhita R. and Dharne, Mahesh S.} } @article {49440, title = {Review on the recent advances in the design and structure{\textendash}activity relationship of TiO2-based photocatalysts for solar hydrogen production}, journal = {Energy Advances}, volume = {3}, year = {2024}, month = {JUN}, type = {Article}, abstract = {
The major issues that determine the efficiency of photocatalyst composite materials for solar hydrogen production, with or without a sacrificial agent, are efficient visible light harvesting properties, efficient separation of charge carriers and their utilization of redox sites, and stability. Thus, significant efforts have been devoted in the past few decades to modify the above characteristics by integrating constituent components of composites using different approaches. In the present review, we aim to summarize the recent advances, predominantly, in the area of TiO2-based photocatalyst composites for solar hydrogen production. Firstly, we present the recent progress in material integration aspects by discussing the integration of TiO2 with different categories of materials, including noble/3d metals, metal oxides/sulphides/selenides, other low bandgap semiconductors, C-based materials, and dye sensitizers. Furthermore, we discuss how material integration helps in tailoring the electronic and optical properties for activity tuning in solar H2 production. Subsequently, critical changes in the physico-chemical and electronic properties of composites with respect to their preparation methods, morphology, crystallographic facets, particle size, dopant, calcination temperature, and structure{\textendash}activity relationship to solar hydrogen production are addressed in detail. Moreover, we discuss the importance of fabricating a photocatalyst in a thin film form and performing solar hydrogen production in different reactor set-ups for enhancing its photocatalytic performance, while addressing device scalability. Despite the significant advancements made in this field, solar-to-hydrogen conversion efficiency still needs to be improved to realise the practical application of solar hydrogen production. In this case, the direct conversion of water to hydrogen via overall water splitting and renewable H2 production from wastewater or biomass components by employing suitable photocatalysts are some possible ways to improve the energy efficiency, and continuous research in the above directions is highly desirable.
}, doi = {10.1039/D4YA00249K}, author = {Mani, Sunesh S. and Rajendran, Sivaraj and Mathew, Thomas and Gopinath, Chinnakonda} } @article {49002, title = {Robust spin liquidity in 2D metal-organic framework Cu3 (HHTP)2 with S=1/2 kagome lattice}, journal = {Chemistry- a european journal}, volume = {30}, year = {2024}, month = {JAN }, type = {Article}, abstract = {
On one hand electron or hole doping of quantum spin liquid (QSL) may unlock high-temperature superconductivity and on the other hand it can disrupt the spin liquidity, giving rise to a magnetically ordered ground state. Recently, a 2D MOF, Cu-3(HHTP)(2) (HHTP - 2,3,6,7,10,11-hexahydroxytriphenylene), containing Cu(II) S = 1/2 frustrated spins in the Kagome lattice is emerging as a promising QSL candidate. Herein, we present an elegant in situ redox-chemistry strategy of anchoring Cu-3(HHTP)(2) crystallites onto diamagnetic reduced graphene oxide (rGO) sheets, resulting in the formation of electron-doped Cu-3(HHTP)(2)-rGO composite which exhibited a characteristic semiconducting behavior (5 K to 300 K) with high electrical conductivity of 70 S . m(-1) and a carrier density of similar to 1.1 x 10(18) cm(-3) at 300 K. Remarkably, no magnetic transition in the Cu-3(HHTP)(2)-rGO composite was observed down to 1.5 K endorsing the robust spin liquidity of the 2D MOF Cu-3(HHTP)(2). Specific heat capacity measurements led to the estimation of the residual entropy values of 28 \% and 34 \% of the theoretically expected value for the pristine Cu-3(HHTP)(2) and Cu-3(HHTP)(2)-rGO composite, establishing the presence of strong quantum fluctuations down to 1.5 K (two times smaller than the value of the exchange interaction J).
}, keywords = {2D Metal-organic Framework, Electron doping, Reduced graphene oxide, Spin Liquid, Spin-frustration}, issn = {0947-6539}, doi = {10.1002/chem.202303718}, author = {Ninawe, Pranay and Jain, Anil and Sangole, Mayur and Anas, Mohd and Ugale, Ajay and Malik, Vivek K. and Yusuf, Seikh M. and Singh, Kirandeep and Ballav, Nirmalya} } @article {49396, title = {Role and significance of virus-bacteria interactions in disease progression}, journal = {Journal of Applied Microbiology}, volume = {135}, year = {2024}, month = {JUN}, pages = {lxae130}, type = {Review}, abstract = {
Understanding disease pathogenesis caused by bacteria/virus, from the perspective of individual pathogen has provided meaningful insights. However, as viral and bacterial counterparts might inhabit the same infection site, it becomes crucial to consider their interactions and contributions in disease onset and progression. The objective of the review is to highlight the importance of considering both viral and bacterial agents during the course of coinfection. The review provides a unique perspective on the general theme of virus-bacteria interactions, which either lead to colocalized infections that are restricted to one anatomical niche, or systemic infections that have a systemic effect on the human host. The sequence, nature, and underlying mechanisms of certain virus-bacteria interactions have been elaborated with relevant examples from literature. It also attempts to address the various applied aspects, including diagnostic and therapeutic strategies for individual infections as well as virus-bacteria coinfections. The review aims to aid researchers in comprehending the intricate interplay between virus and bacteria in disease progression, thereby enhancing understanding of current methodologies and empowering the development of novel health care strategies to tackle coinfections.
}, keywords = {Bacteria, coinfections, infections, virus, virus-bacteria interactions}, issn = {1364-5072}, doi = {10.1093/jambio/lxae130}, author = {Pokhrel, Vatsala and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {49044, title = {Role of aromatic alcohol additives on asymmetric organocatalysis reactions: insights from theory}, journal = {Chemistry-an asian jounrnal}, volume = {19}, year = {2024}, month = {FEB }, type = {Article}, abstract = {
The presence of an aromatic additive has been seen to enhance, often significantly, the enantioselectivity and yield in asymmetric organocatalysis. Considering their success across a dizzying range of organocatalysts and organic transformations, it would seem unlikely that a common principle exists for their functioning. However, the current investigations with DFT suggest a general principle: the phenolic additive sandwiches itself, through hydrogen bonding and pi \& sdot;\& sdot;\& sdot;pi stacking, between the organocatalyst coordinated electrophile and nucleophile. This is seen for a wide range of experimentally reported systems. That such complex formation leads to enhanced stereoselectivity is then demonstrated for two cases: the cinchona alkaloid complex (BzCPD), catalysing thiocyanation (2-naphthol additive employed), as well as for L-pipecolicacid catalysing the asymmetric nitroaldol reaction with a range of nitro-substituted phenol additives. These findings, indicating that dual catalysis takes place when phenolic additives are employed, are likely to have a significant impact on the field of asymmetric organocatalysis. The current DFT based study, on a wide range of organocatalysis systems, reveals a general principle by which phenolic additives influence asymmetric organocatalysis reactions. It is shown that the phenolic additive forms a sandwich complex, through hydrogen bonding and pi \& sdot;\& sdot;\& sdot;pi stacking interactions, with the organocatalyst coordinated electrophile and nucleophile, and enhances the enantioselectivity of the system as a result. image
}, keywords = {Additive, Asymmetric Organocatalysis, Cinchona Alkaloid, Density functional theory, Enantioselective Thiocyanation}, issn = {1861-4728}, doi = {10.1002/asia.202300997}, author = {Banerjee, Subhrashis and Vanka, Kumar} } @article {49080, title = {Role of nitrogen doping in modulating ruthenium nanocatalysts for enhanced electrochemical hydrogen evolution reaction in alkaline medium}, journal = {Chemistry of Materials }, volume = {36}, year = {2024}, month = {APR }, pages = {4262-4274}, type = {Article}, abstract = {
Nitrogen doping has become a fundamental approach to enhance the catalytic performance of carbon materials across various applications. The introduction of nitrogen creates defects and active sites, promoting the formation of small metal particles and strengthening the metal-support interaction within carbon materials. However, the challenge lies in developing sustainable and cost-effective methods for synthesizing nitrogen-doped carbon materials. In this study, we present a sustainable approach for the synthesis of ruthenium on nitrogen-doped carbon catalysts (Ru-CCP) using chitosan as a nitrogen and carbon source. Unlike traditional methods, our process avoids the use of additional nitrogen precursors and templates, streamlining the synthesis while using a renewable resource. The synthesized material exhibits an exceptional performance in the electrochemical hydrogen evolution reaction (HER) in alkaline conditions by achieving a current density of 25 mA cm(-2) at an impressively low overpotential of 46 mV, outperforming Pt/C under similar conditions. The detailed studies on structural and electronic properties of the materials using X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and transmission electron microscopy (TEM) revealed that the remarkable catalytic activity is upheld by the unique interplay between Ru delta+ and surface nitrogen moieties, notably pyridinic and pyrrolic nitrogen. Here, we demonstrate the control of particle size and electronic environment around the metal atom via the interaction of nitrogen and unravel the role of nitrogen doping in tuning the catalytic performance. In addition, this work offers insights into efficient HER catalyst design and emphasizes the potential of biomass-derived materials like chitosan in advancing clean hydrogen production for renewable energy applications.
}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.3c03169}, author = {Korampattu, Lavanya and Barik, Sidharth and Pandikassala, Ajmal and Urkude, Rajashri R. and Kurungot, Sreekumar and Dhepe, Paresh L.} } @article {49253, title = {Rongalite as a C1 source: sulfonylmethylation of indoles with aryl/alkyl hydrazides and sulfinates}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {JUL}, pages = {11347-11352}, type = {Article}, abstract = {
Herein, we present a sulfonylmethylation of indoles with aryl/alkyl hydrazides and sulfinates that provides viable access to sulfone compounds using rongalite as a C1 source. This protocol features readily available chemicals and simple operations, and the products were obtained in moderate to good yields.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c01012}, author = {Kale, Someshwar B. and Patil, Tejaswini A. and Das, Utpal} } @article {49410, title = {Room temperature photocurable PEEK polymer formulations for high-performance 3D printing applications}, journal = {ACS Applied Engineering Materials}, volume = {2}, year = {2024}, month = {JUN}, pages = {1450{\textendash}1459}, type = {Article}, abstract = {
Digital light processing (DLP) technology was employed to 3D print acrylate-modified poly(ether ether ketone) (PEEK). PEEK and modified PEEK (mPEEK incorporating pendant pentadecyl chain) polymers were synthesized and end-capped with urethane acrylate units. These end-modified PEEK polymers were combined with commercially available (meth)acrylic cross-linkers and photoinitiator to create photocurable resin formulations suitable for DLP 3D printing. The resulting 3D-printed parts exhibited remarkable mechanical strength, with a Young{\textquoteright}s modulus of 2.1 GPa. This surpassed the mechanical properties of commercial acrylate resin 3D-printed parts and achieved approximately 55\% of the Young{\textquoteright}s modulus of reported commercial PEEK polymer. Notably, the thermal properties of the 3D-printed materials were impressive, including a high glass transition temperature of 140 {\textdegree}C and stability with only around 10\% weight degradation occurring at approximately 400 {\textdegree}C. These innovative resins demonstrated excellent printability with high resolution, enabling the fabrication of intricate shapes, including complex dental materials by DLP 3D printing. Their versatility extends to potential applications in dentistry, automobile manufacturing, and robotics.
}, doi = {https://doi.org/10.1021/acsaenm.4c00275}, author = {Pal, Shibam and Gaikwad, Yogesh and Asha, S. K.} } @article {49209, title = {Ru-catalyzed asymmetric transfer hydrogenation of racemic /3-keto γ-lactams via dynamic kinetic resolution}, journal = {Tetrahedron}, volume = {167}, year = {2024}, month = {NOV }, pages = {134293}, type = {Article}, abstract = {
The enantioselective transfer hydrogenation of racemic /3-keto gamma-lactams via dynamic kinetic resolution using a chiral Ru(II) catalyst has been developed for the synthesis of optically active /3-hydroxyl lactams with excellent conversion (up to 99 \%), high diastereomeric ratio (dr dr 93:07) and enantiomeric selectivity (89 \% ee ). The reaction proceeded by using HCO2H/Et3N 2 H/Et 3 N as hydrogen donor and features mild, additive free reaction conditions, fast crystallization, broad substrate scope, and an operationally simpler setup than that for molecular hydrogenation.
}, keywords = {(R)-1-((R)-Pyrrolidin-3-yl)ethan-1-ol, /3-keto gamma-lactams, Asymmetric transfer hydrogenation, Dynamic kinetic resolution, Fluroquinolone antibiotics}, issn = {0040-4020}, doi = {10.1016/j.tet.2024.134293}, author = {Malekar, V. Pushpa and More, V. Ganesh and Ramana, V. Chepuri} } @article {49645, title = {Ru/MgO-catalysed selective aerobic oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid}, journal = {Australian Journal of Chemistry - an International Journal for Chemical Science}, volume = {77}, year = {2024}, month = {SEP}, type = {Article}, abstract = {
Biomass valorisation through the selective oxidation of carbohydrate and lipid derivatives offers access to an array of platform chemicals through energy- and atom-efficient catalytic processes. Supported metal nanoparticles are promising catalysts for the aerobic selective oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA), but typically require strong liquid base to achieve high selectivity. Here, we explore the utility of MgO as a solid base support for the Ru-catalysed aerobic oxidation of HMF, obtaining 68\% FDCA yield at 160{\textdegree}C and 1.5\ MPa of O2\ using \<1\ mol-\% metal.
}, doi = {https://doi.org/10.1071/CH24082}, author = {Lokhande, Priya and Dhepe, Paresh L. and Wilson, Karen and Lee, Adam F.} } @article {49197, title = {Safety enhanced novel polymer electrolytes for lithium-ion battery: Anomalous output performance with long term cycling stability by doping and polymer blending}, journal = {MATERIALS TODAY CHEMISTRY}, volume = {39}, year = {2024}, month = {JUL}, pages = {102121}, keywords = {Blend polymers, Ceramic fillers, Gel polymer electrolytes}, issn = {2468-5194}, doi = {10.1016/j.mtchem.2024.102121}, author = {Balakrishnan, Neethu T. M. and Melepurakkal, Amrutha and Das, Akhila and Kenz, K. T. Mohammed and Subramaniam, Mohanapriya and Shelke, Manjusha and Pullanchiyodan, Abhilash and Raghavan, Prasanth} } @article {49374, title = {Saturated NHC-stabilized borenium, boronium, hydride-bridged boron cations, and a bora-acyl chloride}, journal = {ORGANOMETALLICS}, volume = {43}, year = {2024}, month = {JUN }, pages = {1355-1361}, keywords = {activation, BORINIUM, Chemistry}, issn = {0276-7333}, doi = {10.1021/acs.organomet.4c00139}, author = {Kundu, Gargi and Amrutha, P. R. and Tothadi, Srinu and Sen, Sakya S.} } @article {49238, title = {Scalable approach using a gC3N4 -covalent organic framework hybrid catalyst towards sustainable hydrogen production from seawater and wastewater}, journal = {CHEMICAL SCIENCE}, volume = {15}, year = {2024}, month = {AUG 22}, pages = {13381-13388}, type = {Journal Article}, issn = {2041-6520}, doi = {10.1039/d4sc01387e}, author = {Asokan, Kiran and Bhagyasree, T. M. and Devasia, George and Krishnamurty, Sailaja and Solim, Sabah and Rueda, Lina and Al-Mohannadi, Dhabia M. and Al-Hashimi, Mohammed and Kakosimos, Konstantinos and Santhosh Babu, Sukumaran} } @article {49034, title = {Scalable, interfacially synthesized, covalent-organic framework (COF)-based thin-film composite (TFC) hollow fiber membranes for organic solvent nanofiltration (OSN)}, journal = {ACS Applied Materials and Interfaces }, volume = {16}, year = {2024}, month = {APR}, pages = {19463-19471}, type = {Article}, abstract = {
Covalent organic frameworks have great potential for energy-efficient molecular sieving-based separation. However, it remains challenging to implement COFs as an alternative membrane material due to the lack of a scalable and cost-effective fabrication mechanism. This work depicts a new method for fabricating a scalable in situ COF hollow fiber (HF) membrane by an interfacial polymerization (IP) approach at room temperature. The 2D COF film was constructed on a polyacrylonitrile HF substrate using aldehyde (1,3,5-trimethylphloroglucinol, Tp) and amine (4,4 {\textquoteleft}-azodianiline (Azo) and 4,4 {\textquoteleft},4 {\textquoteleft}{\textquoteright}-(1,3,5-triazine- 2,4,6-triyl) trianiline (Tta)) as precursors. The COF membrane on the PAN substrate showed 99\% rejection of Direct red-80 with remarkable solvent permeance. The rejection analysis revealed that the structural aspects of the solute molecule play a major role in rejection rather than the molecular weight. We further optimized the precursor concentrations to improve the permeation performance of the resulting membrane. The durability study reveals excellent stability of the membrane toward organic solvents. This study also demonstrated the easy scalability of the membrane fabrication approach. The approach was further extrapolated to fabricate a cation-based COF membrane. These charged membranes exhibited an enhanced rejection performance. Finally, this approach can facilitate industrially challenging molecular sieving applications using COF-based membranes.
}, keywords = {covalent-organic framework, hollow fiber, interfacial polymerization, organic solvent nanofiltration, selective COF membrane}, issn = {1944-8244}, doi = {10.1021/acsami.4c00305}, author = {Kunjattu, Shebeeb H. and Thorat, Nitin M. and Gawas, Saroj and Kharul, Ulhas K.} } @article {49259, title = {Scaling-up continuous production of mesoporous silica particles at kg scale: design \& operational strategies}, journal = {Reaction Chemistry \& Engineering}, volume = {9}, year = {2024}, month = {JUN }, pages = {1914-1923}, type = {Article}, abstract = {
This paper demonstrates a continuous flow pilot-scale production of highly porous mesoporous silica particles (MSPs) via a soft template based technique. The study presents pilot scale reactor design, fabrication and production of mesoporous silica particles with a 1 kg per day production rate. The extent of mixing and overall performance of the system were evaluated by conducting a hydrodynamic study, including the estimation of the heat transfer coefficient and dispersion number. Nanoparticle synthesis in a clogging-free manner is the key challenge in moving towards large scale production and commercial applications. This article presents a comprehensive study on the effect of key parameters for successful scaling up of the process. We have also addressed challenges faced and how these are overcome by troubleshooting the process. Different strategies were used to prevent the clogging of the reactor, which involved reactant dilution, periodic pulsation and slug flow (two phase flow). Among them, slug flow allows us to operate the reactor continuously for several hours without clogging and wall-deposition problems. It helped produce morphologically well-defined and near-monodisperse particles. With this process, the production is validated at a scale of 85 times compared to that of a laboratory system (from 22 mL to \>1.5 L), enabling a production rate of 20-50 g h(-1).
}, issn = {2058-9883}, doi = {10.1039/d3re00707c}, author = {Jundale, Rajashri B. and Sonawane, Jayesh R. and Palghadmal, Anil V. and Jaiswal, Hemant Kumar and Deore, Hital S. and Kulkarni, Amol A.} } @article {49077, title = {Scanning tunneling microscopy investigation of synaptic behavior in AgInS2 quantum dots: effect of ion transport in neuromorphic applications}, journal = {ACS Applied Nano Materials }, volume = {7}, year = {2024}, month = {MAR}, pages = {7226-7236}, type = {Article}, abstract = {
Scanning tunneling microscopy (STM) is a powerful technique for investigating the nanoscale properties of functional materials. Additionally, scanning tunneling spectroscopy (STS) facilitates the determination of the local density of states (LDOS) within the material. In this study, we present an exploration of the resistive switching (RS) properties and neuromorphic computing capabilities of individual AgInS2 quantum dots, utilizing STM and STS techniques. By examining the material{\textquoteright}s bandgap and its temperature dependence, we uncover a nonlinear variation below the Debye temperature and a linear trend at higher temperatures. Moreover, STS measurements demonstrate changes in the conducting states induced by localized pulses, further confirming the unique characteristics of the quantum dots. The experimental devices constructed by using these quantum dots effectively replicate the RS properties observed at the nanoscale. To assess the neuromorphic application of the devices, pulse transient measurements simulating the learning and forgetting processes were conducted. The gradual set and reset processes successfully mimic the information retention and erasure capabilities essential for neuromorphic computing. Notably, the resistive switching mechanism in these devices is attributed to localized ionic transport, which highlights the significant involvement of ionic species in the observed RS behavior. The outcomes of this study contribute to the fundamental understanding of RS properties in single AgInS2 quantum dots and offer valuable insights into their potential applications in neuromorphic computing.
}, keywords = {corona poling, Ion transport, neuromorphic computing, quantum dots, resistive switching, Scanning tunneling microscopy, STS}, doi = {10.1021/acsanm.3c06272}, author = {Betal, Atanu and Chetia, Anupam and Bera, Jayanta and Saikia, Dibyajyoti and Sharma, Ashish and Rath, Arup K. and Sahu, Satyajit} } @article {49398, title = {Selective oxidation of biomass derived 5-hydroxymethylfurfural (HMF) to 2,5-diformylfuran (DFF) over spent dry cell battery cathode material (BCM-2)}, journal = {ACS Applied Engineering Materials}, volume = {2}, year = {2024}, month = {NOV}, type = {Article}, abstract = {
Widespread use of batteries across the globe generates a huge amount of waste. This work is the first to report spent dry cell (Zn-Carbon) battery cathode material (BCM-2) as a heterogeneous catalyst for selective synthesis of fine chemical 2,5-diformylfuran (DFF). Cathode material was easily separated from spent batteries, and acid leached followed by calcination to obtain black powder that was denoted as BCM-2. The catalyst was characterized using various techniques such as P-XRD, EDAX, SEM, HR-TEM, TGA, XPS, and BET analysis. Superior catalytic activity was shown by the catalyst for selective formation of DFF using molecular O2\ as a sole oxidant. The catalyst was found to give excellent HMF conversion of 97\% with 98\% high selectivity of DFF. The BCM-2 catalyst was easily recycled and reused without any significant loss in its catalytic activity. This is one of the best examples for a sustainable, cost-effective, and highly efficient catalytic system for the synthesis of the value-added chemical DFF.
}, doi = {https://doi.org/10.1021/acsaenm.4c00537}, author = {Ghadge, Sambhaji S. and Bankar, Shubham R. and Jadhav, Vrushali H.} } @article {49223, title = {Selective synthesis of renewable diesel fuel precursors via C-C condensation of biomass-derived furans using a niobium oxide nanocatalyst}, journal = {ACS SUSTAINABLE CHEMISTRY \& ENGINEERING}, volume = {12}, year = {2024}, month = {SEP }, pages = {15923-15934}, type = {Journal Article}, keywords = {2-Methylfuran, Catalysts, dehydration, NB2O5, RANGE ALKANES, solid acid, Valorization}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c03886}, author = {Kumar, Mudavath Arun and Swapna, Bhattu and Kalbande, Pavan Narayan and Yalagandula, Lavanya and Singh, Satyapaul A. and Sudarsanam, Putla} } @article {49188, title = {Self-consistent molecular mechanism of β2-microglobulin aggregation}, journal = {Journal of Physical Chemistry B}, volume = {128}, year = {2024}, month = {DEC}, pages = {12425-12442}, type = {Article}, abstract = {
Despite the consensus on the origin of dialysis-related amyloidosis (DRA) being beta(2)-microglobulin (beta(2)m) aggregation, the debate on the underlying mechanism persists because of the continuous emergence of beta(2)m variant- and pH-dependent contradictory results. By characterizing the native monomeric (initiation) and aggregated fibrillar (termination) states of beta(2)m via a combination of two enhanced sampling approaches, we here propose a mechanism that explains the heterogeneous behavior of wild-type (WT) and pathogenic (V27M and D76N) beta(2)m variants in physiological and disease-pertinent acidic pH environments. It appears that the higher retainment of monomeric native folds at neutral pH (native-like) distinguishes pathogenic beta(2)m mutants from the WT (moderate loss). However, at acidic pH, all three variants behave similarly in producing a substantial amount of partially unfolded states (conformational switch, propensity), though with different extents (WT \< V27M \< D76N). Whereas at the fibrillar end, all beta(2)m variants display a pH-dependent protofilament separation pathway and a higher protofilament binding affinity (stability) at acidic pH, where the relative order of binding affinity (WT \< V27M \< D76N) remains consistent with pH modulation. Combining these observations, we conclude that beta(2)m variants possibly shift from native-like aggregation to conformational switch-initiated fibrillation as the pH is altered from neutral to acidic. The combined propensity-stability approach based on the initiation and termination points of beta(2)m aggregation not only assists us in deciphering the mechanism but also emphasizes the protagonistic roles of both terminal points in the overall aggregation process.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.4c06611}, author = {Tammara, Vaishnavi and Das, Atanu} } @article {49016, title = {Shell waste valorization to chemicals: methods and progress}, journal = {Green Chemistry }, volume = {26}, year = {2024}, month = {MAY}, pages = {5601-5634}, type = {Review}, abstract = {
In light of growing energy and resource demands, the conversion of biomass materials into diverse chemicals and fuels holds significant importance. This process enables the utilization of biomass as a valuable and renewable resource to meet these escalating needs. The current biomass valorization processes are largely based on plant-derived lignocellulosic biomass materials. Studying new genres of biomass materials and their value addition is highly desirable, and they would complement and expand the existing biorefinery system. Crustacean shell waste represents a highly potential bioresource that is composed of a set of useful chemicals, among which chitin, the amino polysaccharide, has come to the fore as a promising material for a plethora of applications. In terms of the abundance of biopolymers on Earth, cellulose is the most prevalent biopolymer, and chitin ranks as the second. The presence of biologically fixed nitrogen in the structure of chitin opens up new possibilities for making useful chemicals, notably nitrogen-containing chemicals, which are otherwise impossible to produce directly from lignocellulosic biomass. In the last two decades, several attempts have been made by researchers in this area to convert chitin and its derivatives into valuable chemicals. This review comprehensively summarizes the transformation of the chitin fraction from shell waste to various chemicals through different thermo-catalytic processes and appraises the advancements in this area. The effect of various catalytic systems on chitin biomass valorization processes and the challenges and opportunities allied to this are discussed. This review summarises the thermo-catalytic processes converting chitin from shell waste into diverse chemicals and reviews the advances, catalytic systems, and associated challenges.
}, issn = {1463-9262}, doi = {10.1039/d3gc05177c}, author = {Korampattu, Lavanya and Ghosh, Neha and Dhepe, Paresh L.} } @article {49043, title = {Short review on the synthetic routes for the antiepileptic drug (S)-levetiracetam}, journal = {Organic Process Research and Development }, volume = {28}, year = {2024}, month = {MAR }, pages = {924-936}, type = {Review}, abstract = {
Epilepsy is a chronic disorder characterized by recurrent unpredictable seizures. Levetiracetam (Keppra) was introduced by UCB for the treatment of partial onset seizures in patients above 16 years of age diagnosed with epilepsy. This review reports synthetic strategies available for the synthesis of (S)-levetiracetam and will certainly aid the quest for the development of new routes for its synthesis.
}, keywords = {antiepileptic drug, butyrolactam, epilepsy, levetiracetam, synthesis}, issn = {1083-6160}, doi = {10.1021/acs.oprd.4c00002}, author = {Paul, Sayantan and Bhattacharya, Asish K.} } @article {49212, title = {Shuttle balance between lithiophilic functionalities substituted on conjugated polymers to improve lithium-ion diffusion and cycling stability of batteries}, journal = {Macromolecules}, volume = {57}, year = {2024}, month = {AUG}, pages = {7830-7840}, type = {Article}, abstract = {
Herein, we report the design and synthesis of i-Indigo and trans-1,2-di(2-thienyl)ethylene (TVT) comprising copolymers with various side chains that are used as anode-cum-binder in Li-ion batteries. The TVT disrupts the crystallinity, and the i-Indigo renders the handle for unsymmetrical substitution. Polymer P1 comprises alkyl chains on i-Indigo, whereas P2 comprises an alkyl chain and a chain with a urethane moiety as another side chain. Polymer P3 comprises i-Indigo with a urethane moiety and triethylene glycol as side chains. The i-Indigo in P4 is substituted with triethylene glycol and alkyl chains as side chains. These polymers were found to be amorphous with pi-pi stacking due to the extremely small torsional angle imparted by TVT moieties. All of these polymers showed comparable specific capacity while used as an anode in Li-ion batteries due to the presence of a common conjugated backbone. However, the battery metrics varied significantly while the current density of the batteries varied between 0.1 and 2.0 A g(-1). P1 and P2 showed a very close recovery of specific capacity at 0.1 A g(-1) before and after various current densities. However, polymers P3 and P4 did not recover from the specific capacity fading due to the presence of triethylene glycol side chain that degraded. Polymer P2 with an alkyl side chain and a chain with a urethane moiety showed stable performance over 2000 charge-discharge cycles. Contrary to this, the stability of polymers with triethylene glycol side chains decreased over 2000 charge-discharge cycles. Polymer P2 with a urethane side chain also showed improved Li-ion diffusion because the urethane moiety facilitated better Li-ion transport.
}, issn = {0024-9297}, doi = {10.1021/acs.macromol.4c01036}, author = {Kargude, Radhakisan and Javaregowda, Bharathkumar H. and Palani, Sathishkumar and Singh, Anup K. and Krishnamoorthy, Kothandam} } @article {49444, title = {Silver nanoparticles in electrospun ethyl hydroxy ethyl cellulose-PVA Nanofiber: synthesis, characterization and wound dressing applications}, journal = {Carbohydrate Polymer Technologies and Applications}, volume = {7}, year = {2024}, month = {JUN}, pages = {100477}, type = {Article}, abstract = {
Electrospinning is a simple, cost-effective technique and a reproducible process for both synthetic and\ natural polymers. It is found to be an attractive tool for various applications in biomedical engineering, filtration, protective clothing, catalysis reactions and sensors. Non-ionic cellulose ethers namely Ethyl Hydroxy\ Ethyl Cellulose\ (EHEC) is an important\ polysaccharide\ which is non-toxic, biocompatible and biodegradable and finds applications as thickening/rheology control agents in paints, cosmetics, detergents, oil recovery and also in the biomedical area. Poly (vinyl alcohol) (PVA) is a semi-crystalline\ hydrophilic polymer\ which is highly biocompatible and non-toxic having good thermal and mechanical properties and also high water solubility. Silver shows powerful antimicrobial activity and is non-toxic. It has been used to cure severe burns and chronic ulcers for many decades and is extensively used as an additive in various fields like prostheses, burn treatment, catheters, vascular grafts, dental resin components, ion exchange fibers,\ stainless steel\ materials, human skin and coating of\ medical devices. In the present work, EHEC/PVA\ nanofibers\ embedded with silver\ nanoparticles\ (AgNPs) are studied for their\ antibacterial activity\ using both gram positive and\ gram negative bacteria. The\ nanofibers\ show increase in\ tensile properties\ with the addition of silver nano-particles. The\ AgNPs\ embedded EHEC/PVA nanofiber mats having 0.5\% AgNPs were found to enhance the\ wound healing\ with no scar formation in\ wistar rats. The biological\ in-vitro\ and\ in-vivo\ studies support the potential of EHEC based\ nanofibers\ as excellent bio-materials for the treatment of severe burns and\ wounds. To the best of our knowledge, this is the first report on the electrospinning of EHEC/PVA nanofibers for wound healing applications.
}, doi = {https://doi.org/10.1016/j.carpta.2024.100477}, author = {Wali, Ashwini and Gorain, Mahadeo and Kundu, Gopal and Badiger, Manohar} } @article {49655, title = {Simultaneously mechanically flexible, photobending, and acidochromic cyanostilbene molecular crystals}, journal = {Crystal Growth \& Design}, volume = {25}, year = {2024}, month = {DEC}, pages = {309-318}, type = {Article}, abstract = {
Molecular crystals that respond to multiple stimuli are gaining significant attention for their potential in smart materials like actuators and sensors. However, imparting multiple stimuli-responsive properties to a single crystal remains a major challenge. Herein, we report two cyanostilbene derivative-based crystals 1 and 2, with various responses to stimuli such as mechanical stress, light, acid vapors, etc. Both crystals 1 and 2 demonstrated mechanical flexibility and reversible acidochromism. Additionally, crystal 1 also exhibited light-induced photobending, which is ascribed to Z to E photoisomerization. Detailed structure-property correlation was established to unravel distinct mechanical responses. The development of these multitasking crystals may find applications in multitasking actuators, anticounterfeiting materials, and more.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.4c01341}, author = {Parthasarathy, Thiyagaraj and Mishra, Manish Kumar and Bhattacharya, Biswajit and Emmerling, Franziska and Ghosh, Soumyajit} } @article {48931, title = {Single-atom alloys of Cu(211) with earth-abundant metals for enhanced activity towards CO2 dissociation}, journal = {Journal of Molecular Graphics and Modelling }, volume = {126}, year = {2024}, month = {JAN}, type = {Journal Article}, abstract = {
CO2, a byproduct from various industrial reactions, must not be released into the atmosphere and should be managed through capture, conversion, and utilization. The first step in converting CO2 into valuable products is to break the C-O bond. This work focuses on designing Single Atom Catalysts (SACs) by doping Cu(211) surface with 13 different s, p, and d block elements with an aim to minimize the activation barrier for C-O bond cleavage. Our work demonstrates that SACs of Mg/Al/Pt@Cu(211) favor CO2 chemisorption compared to Cu(211) where CO2 physisorbs. The barrier for CO2 dissociation is lowest for Mg@Cu(211) and it increases in the order Mg@Cu(211) \< Al@Cu(211) \< Pt@Cu(211) \< Zn@Cu(211) \< Ga@Cu(211) \< Cu@Cu(211) \< Pd@Cu(211). These findings suggest that doping Cu(211) with earth-abundant metal like Mg can potentially be a viable catalyst for CO2 conversion, providing a promising solution to reduce carbon footprint and mitigate climate change.
}, keywords = {CO2, Cu(211), DFT, Single atom catalysts}, issn = {1093-3263}, doi = {10.1016/j.jmgm.2023.108656}, author = {Thakkar, Kavita and Joshi, Kavita} } @article {49352, title = {Size and morphology dependent activity of Cu clusters for CO2 activation and reduction: a first principles investigation}, journal = {ChemPhysChem}, volume = {25}, year = {2024}, month = {DEC}, type = {Article}, abstract = {
Various Cu-based materials in diverse forms have been investigated as efficient catalysts for electrochemical reduction of CO2; however, they suffer from issues such as higher over potential and poor selectivity. The activity and selectivity of CO2 electro reduction have been shown to change significantly when the surface morphology (steps, kinks, and edges) of these catalysts is altered. In light of this, size and morphology dependent activity of selected copper clusters, Cun (n=2-20) have been evaluated for the activation and reduction of CO2 molecule. The phase-space of these copper clusters is rich in conformations of distinct morphologies starting from planar, 2D geometries to prolate-shaped geometries and also high-symmetry structures. The binding efficiency and the activation of CO2 are highest for medium sized clusters (n=9-17) with prolate-morphologies as compared to small or larger sized CunCO(2) clusters that are existing mainly as planar (triangular, tetragonal etc.) or highly-symmetric geometries (icosahedron, capped-icosahedron etc.), respectively. The best performing (prolate-shaped) CunCO2 conformations are quite fluxional and also they are thermally stable, as demonstrated by the molecular dynamics simulations. Furthermore, on these CunCO(2) conformations, the step-by-step hydrogenation pathways of CO2 to produce value-added products like methanol, formic acid, and methane are exceptionally favorable and energy-efficient.
}, keywords = {CO2 activation, CO2 hydrogenation, Copper clusters, Density Functional Theory (DFT), molecular dynamics}, issn = {1439-4235}, doi = {10.1002/cphc.202400442}, author = {Amin, Seerat and Krishnamurty, Sailaja and Dar, Manzoor Ahmad and Joshi, Krati} } @article {49089, title = {Size matters: computational insights into the crowning of noble gas trioxides}, journal = {Inorganic Chemistry}, volume = {63}, year = {2024}, month = {FEB}, pages = {4099-4107}, type = {Article}, abstract = {
In pursuit of enhancing the stability of the highly explosive and shock-sensitive compound XeO3, we performed quantum chemical calculations to investigate its possible complexation with electron-rich crown ethers, including 9-crown-3, 12-crown-4, 15-crown-5, 18-crown-6, and 21-crown-7, as well as their thio analogues. Furthermore, we expanded our study to other noble gas trioxides (NgO(3)), namely, KrO3 and ArO3. The basis set superposition error (BSSE) corrected interaction energies for these adducts range from -13.0 kcal/mol to -48.2 kcal/mol, which is notably high for sigma-hole-mediated noncovalent interactions. The formation of these adducts was observed to be more favorable with the increase in the ring size of the crowns and less favorable while going from XeO3 to ArO3. A comprehensive analysis by various computational tools such as the mapping of the electrostatic potential (ESP), Wiberg bond indices (WBIs), Bader{\textquoteright}s theory of atoms-in-molecules (AIM), natural bond orbital (NBO) analysis, noncovalent interaction (NCI) plots, and energy decomposition analysis (EDA) revealed that the C-H center dot center dot center dot O interactions, as well as dispersion interactions, play a pivotal role in stabilizing adducts involving larger crowns. A noteworthy outcome of our study is the revelation of a coordination number of 9 for xenon in the complex formed between XeO3 and the thio analogue of 18-crown-6, which is higher than the largest number reported to date.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.3c03782}, author = {Dash, Soumya Ranjan and Sharma, Himanshu and Tiwari, Mrityunjay K. and Greb, Lutz and Vanka, Kumar} } @article {49415, title = {Slowdown of solvent structural dynamics in aqueous DMF solutions}, journal = {Chemical Physics Impact}, volume = {9}, year = {2024}, month = {DEC}, abstract = {
This study presents a comprehensive investigation into the molecular dynamics of solvation environments through an integrated approach combining Fourier-transform infrared (FTIR) spectroscopy, molecular dynamics (MD) simulations, and two-dimensional infrared (2D IR) spectroscopy. We explore the solvation of an ionic solute (ammonium thiocyanate) in various solvent systems, including N,N-dimethylformamide (DMF), water, and a 0.5 mole fraction of DMF in water, aiming to unravel the intricate interplay between solute-solvent interactions and solvent dynamics across diverse solvation environments. By integrating FTIR spectral analysis with radial distribution functions and coordination numbers obtained from MD simulations, we decipher the solvent composition around the solute molecule. Analysis of 2D IR spectra and hydrogen bond, as well as dipolar autocorrelation function from MD simulations, further elucidates the nuances of solute-solvent interactions, highlighting the impact of solvent dynamics on solvation structures. Our results reveal a significant slowdown of the solvent structural dynamics in the equimolar binary solvent mixture compared to the neat solvents. This slowdown underscores the complex relationship between solute-solvent interactions and solvent dynamics. The integration of FTIR, MD simulations, and 2D IR spectroscopy provides a unified framework for obtaining a holistic understanding of solvation dynamics, offering valuable insights into the underlying molecular mechanisms governing solute-solvent interactions in complex systems. These results pave the way for future studies to delve deeper into the molecular intricacies of solvation phenomena.
}, doi = {https://doi.org/10.1016/j.chphi.2024.100711}, author = {Pathania, Akhil and Bagchi, Sayan} } @article {48944, title = {Solid state hydrogen storage: Decoding the path through machine learning}, journal = {International Journal of Hydrogen Energy }, volume = {50}, year = {2024}, month = {JAN}, pages = {1518-1528}, type = {Article}, abstract = {
We present a machine learning (ML) framework HEART (HydrogEn storAge propeRty predicTor) for identifying suitable families of metal alloys for hydrogen storage under ambient conditions. Our framework includes two ML models that predict the hydrogen storage capacity (HYST) and the enthalpy of hydride formation (THOR) of multi-component metal alloys. We demonstrate that a chemically diverse set of features effectively describes the hydrogen storage properties of the alloys. In HYST, we use absorption temperature as a feature which improved H2wt\% prediction significantly. For out-of-the-bag samples, HYST predicted H2wt\% with R2 score of 0.81 and mean absolute error (MAE) of 0.45 wt\% whereas R2 score is 0.89 and MAE is 4.53 kJ/molH2 for THOR. These models are further employed to predict H2wt\% and Delta H for similar to 6.4 million multi-component metal alloys. We have identified 6480 compositions with superior storage properties (H2wt\% \> 2.5 at room temperature and Delta H \< 60 kJ/molH2). We have also discussed in detail the interesting trends picked up by these models like temperature dependent variation in the rate of hydrogenation and alloying effect on H2wt\% and Delta H in different families of alloys. Importantly certain elements like Al, Si, Sc, Cr, and Mn when mixed in small fractions with hydriding elements like Mg, Ti, V etc. systematically reduce Delta H without significantly compromising the storage capacity. Further upon increasing the number of elements in the alloy i.e from binary to ternary to quaternary, the number of compositions with lower enthalpies also increases. From the 6.4 million compositions, we have reported new alloy families having potential for hydrogen storage at room temperature. Finally, we demonstrate that HEART has the potential to scan vast chemical spaces by narrowing down potential materials for hydrogen storage.
}, keywords = {Enthalpy of hydride formation, Hydrogen storage capacity, Metal hydrides, Predictive machine learning models, Solid-state hydrogen storage}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2023.10.056}, author = {Verma, Ashwini and Wilson, Nikhil and Joshi, Kavita} } @article {49042, title = {Solid-state NMR method for characterization of pharmaceutical eutectics}, journal = {Physical Chemistry Chemical Physics}, volume = {26}, year = {2024}, month = {JAN }, pages = {3800-3803}, type = {Article}, abstract = {
Pharmaceutical eutectics are extremely useful for designing formulations, and currently, there are no techniques other than differential scanning calorimetry (DSC) that can confirm their formation. In this study, we demonstrate that 1H fast magic angle spinning (MAS) solid-state NMR (SSNMR) experiments can confirm the formation of eutectics by detecting their intermolecular hydrogen bonding interactions. 2D 1H-1H double quantum single quantum (DQSQ) correlation SSNMR experiment is demonstrated which can confirm the formation of pharmaceutical eutectics for which there are no techniques other than differential scanning calorimetry (DSC).
}, issn = {1463-9076}, doi = {10.1039/d3cp05615e}, author = {Hareendran, Chaithanya and Shaligram, Parth S. and Gonnade, Rajesh and Ajithkumar, T. G.} } @article {49241, title = {Solution-phase ligand engineering for all-quantum-dot near-infrared light-emitting diodes}, journal = {ACS Applied Nano Materials}, volume = {7}, year = {2024}, month = {APR }, pages = {9126-9135}, type = {Article}, abstract = {
Strong emission over a wide near-infrared (NIR) region makes lead sulfide quantum dots (QDs) a preferred material in building NIR light-emitting diodes (NIR-LEDs) for numerous applications. Narrow-bandgap emitter QDs blended in the matrix of high-band gap QDs offer a simple yet powerful architectural platform for building high-performance NIR-LEDs. So far, the all-QD-based blend architecture has been realized using a poorly controlled solid-state ligand exchange approach. Advanced solution-phase ligand exchange, which offers greater control over surface passivation, is yet to be realized in all-QD LED device construction. We observe that the solution-phase ligand exchange from the optimized lead halide and thiol ligand combination, used in high-performing QD solar cell construction, is inefficient in realizing efficient all-QD LEDs, which could have restricted the adoption of the solution-phase ligand exchange thus far. Here, we introduce an innovative dual-ligand strategy to build all-QD-based NIR-LEDs using an advanced solution-phase ligand exchange approach. Through ligand engineering of matrix QDs, we managed to improve photoluminescence quantum yield (40\%), reduce trap density (10(14) cm(-3)), and prolong carrier lifetime (832 ns). The LED devices benefit from improved electronic properties and balanced carrier injection to yield 6\% EQE and 7.7\% PCE, which are six times higher than those of state-of-the-art ligands.
}, keywords = {electroluminescence, lead sulfide, ligand passivation, light-emitting diodes, near-infrared, quantumdots}, doi = {10.1021/acsanm.4c00634}, author = {Biswas, Arindam and Mitra, Anurag and Sharma, Ashish and Shinde, Dipak Dattatray and Dambhare, V. Neha and Sharma, Anjali and Mahajan, Chandan and Rath, Arup K.} } @article {49184, title = {Solvation dynamics and microheterogeneity in deep eutectic solvents}, journal = {Journal of Physical Chemistry B}, volume = {128}, year = {2024}, month = {DEC}, pages = {12669-12684}, type = {Review}, abstract = {
Deep eutectic solvents have attracted considerable attention due to their unique properties and their potential to replace conventional solvents in diverse applications, such as catalysis, energy storage, and green chemistry. However, despite their broad use, the microscopic mechanisms governing solvation dynamics and the role of hydrogen bonding in deep eutectic solvents remain insufficiently understood. In this article, we present our contributions toward unravelling the micro heterogeneity within deep eutectic solvents by combining vibrational Stark spectroscopy and two-dimensional infrared spectroscopy with molecular dynamics simulations. Our findings demonstrate how the composition, constituents, and addition of water significantly influence the heterogeneous hydrogen bonding network and solvent dynamics within these systems. These insights provide valuable guidance for the design of next-generation solvents tailored to specific applications. By integrating experimental and computational approaches, this work sheds light on the intricate relationship between solvation dynamics and nanostructure in deep eutectic solvents, ultimately paving the way for innovative advances in solvent design.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.4c06295}, author = {Chatterjee, Srijan and Chowdhury, Tubai and Bagchi, Sayan} } @article {49060, title = {Solvatochromism and side chain effects on the morphological behavior of bodipy-alt-i-Indigo copolymers }, journal = {New Journal of Chemistry}, volume = {48}, year = {2024}, month = {APR}, pages = {6954-6964}, type = {Article}, abstract = {
Among the factors that govern the self-assembly of a molecular system, side chains and solvent polarity play crucial roles in the morphological alteration of small molecules in solutions. Although the effect of side chains on the self-assembly of small molecules has been studied well, reports on their importance in the aggregation behavior of polymers are limited. Investigating whether a minor change in the side chain produce any significant impact on the morphology of the polymer in solution is of great research interest. Towards the end goal, to alter the morphology of polymers and to know the impact of the side chains on the self-assembly properties of the conjugated polymers, two BODIPY-i-Indigo alternating copolymers, P1 [poly(BDP12-alt-iI)] and P2 [poly(BDPE-alt-iI)], were synthesized, and their aggregation behavior was explored in various solvents. Both the copolymers, P1 and P2, exhibited narrow PDI values of 1.16 and 1.45, respectively. Although their cores are the same, P1 showed a thin film morphology, while P2 displayed a porous morphology (approximately 557 nm) in chloroform. On changing the solvent, P1 showed a porous morphology in a 50\% THF-CHCl3 mixture. However, in P2, the pores were reduced to extremely small sizes in the 50\% THF-CHCl3 mixture. This work demonstrates that even a minimal change in the side chains of copolymers and polarity differences between solvents can produce a drastic morphological effect.
}, issn = {1144-0546}, doi = {10.1039/d3nj04728h}, author = {Singh, Anup Kumar and Swain, Gitanjali and Birajdar, Sarika} } @article {49269, title = {Solvent-free hydroxylation of unactivated C-H bonds in small molecules and macromolecules by a Fe complex}, journal = {ACS CATALYSIS}, volume = {14}, year = {2024}, month = {APR }, pages = {7173-7181}, keywords = {Ball milling, solid-state C-H hydroxylation}, issn = {2155-5435}, doi = {10.1021/acscatal.4c00775}, author = {Chatterjee, Debasmita and Sajeevan, Amritha and Jana, Sandipan and Birajdar, Rajkumar S. and Chikkali, Samir H. and Sivaram, Swaminathan and Sen Gupta, Sayam} } @article {49196, title = {Solvent-free organic liquids: an efficient fluid matrix for unexplored functional hybrid materials}, journal = {Accounts of Chemical Research}, volume = {57}, year = {2024}, month = {FEB}, pages = {670-684}, type = {Review}, abstract = {
The invention of solvent-free organic liquids (SOLs) was serendipitous. However, the curiosity-driven research in the later stage delivered new soft materials with exciting optical, and optoelectronic properties along with appealing physical characteristics suitable for the futuristic applications. A slight change in the molecular design resulted in a drastic change in the physical state of molecules demonstrating monomer-like features in the bulk. The basic idea of core isolation has been successful in delivering new SOLs with attractive functional properties. The unique fluid matrix associated with SOLs offers a tremendous opportunity for making hybrid materials by simple mixing. The chance to study the fundamentally important electron transfer, energy transfer, charge transfer interactions, triplet-state emissions, and even detailed NMR experiments in the solvent-free neat state is the major attraction of SOLs. Usually, solvents and their polarity control such molecular properties, and in the case of SOLs, it avoids the use of solvents to study such fundamentally important properties. Besides, SOLs protect the triplet emitters and excited state processes involving triplet states from quenchers and make the analysis possible under ambient conditions. Our effort in this direction was focused on tuning the ground and excited state properties by transforming conventional organic molecules to SOLs and further value addition by preparing the hybrid SOLs. We developed a series of hybrid SOLs, exploring room-temperature phosphorescence, thermally activated delayed fluorescence, charge or energy transfer between donor and acceptor SOLs, selective explosive sensing, etc. A slight variation in the chemical structure or optoelectronic properties of the individual components imparted exciting optical features for the hybrid SOLs. It includes nonemissive charge transfer, tunable emission exciplex, room temperature phosphorescence, and thermally activated delayed fluorescence SOLs. The liquid matrix of donor SOLs accommodated varying amounts of acceptor SOLs to tune the ground and excited state features. In all examples of donor-acceptor-based hybrid SOLs, even a low amount of acceptor, such as a donor-acceptor ratio of 1000:1, can cause pronounced optical properties. Hence, the evaluation of the optical properties of SOLs, especially, in the absence of solvents is so special that it avoids the interference of solvent molecules. Still, the major drawback of SOLs remains unsolved until we report polymerizable SOLs. Although a large variety of SOLs have been reported in the literature, the long-lasting problem of surface stickiness of SOLs was resolved by polymerizable SOLs. It enabled the development of flexible, foldable, and stretchable large-area luminescent films suitable for lighting and display devices. In this Account, we summarize our work on SOLs, hybrid SOLs, polymerizable SOLs, and the application of SOLs in selective sensing of explosives. Finally, an outlook on the feasibility of luminescent polymerizable SOLs in futuristic applications is provided.
}, issn = {0001-4842}, doi = {10.1021/acs.accounts.3c00670}, author = {Wakchaure, Vivek Chandrakant and Channareddy, Goudappagouda and Babu, Sukumaran Santhosh} } @article {48970, title = {State-dependent dynamics of extramembrane domains in the β2-adrenergic receptor}, journal = {Proteins- Structure Function and Bioinformatics }, volume = {92}, year = {2024}, month = {MAR}, pages = {317-328}, type = {Article}, abstract = {
G protein-coupled receptors (GPCRs) are membrane-bound signaling proteins that play an essential role in cellular signaling processes. Due to their intrinsic function of transmitting internal signals in response to external cues, these receptors are adapted to be highly dynamic in nature. The beta(2)-adrenergic receptor (beta 2AR) is a representative member of the family that has been extensively analyzed in terms of its structure and activation. Although the structure of the transmembrane domain has been characterized in the different functional states of the receptor, the conformational dynamics of the extramembrane domains, especially the intrinsically disordered regions are still emerging. In this study, we analyze the state-dependent dynamics of extramembrane domains of beta(2)AR using atomistic molecular dynamics simulations. We introduce a parameter, the residue excess dynamics that allows us to better quantify receptor dynamics. Using this measure, we show that the dynamics of the extramembrane domains are sensitive to the receptor state. Interestingly, the ligand-bound intermediate R{\textquoteright} state shows the maximal dynamics compared to either the active R*G or inactive R states. Ligand binding appears to be correlated with high residue excess dynamics that are dampened upon G protein coupling. The intracellular loop-3 (ICL3) domain has a tendency to flip towards the membrane upon ligand binding, which could contribute to receptor {\textquoteleft}{\textquoteleft}priming.{\textquoteright}{\textquoteright} We highlight an important ICL1-helix-8 interplay that is broken in the ligand-bound state but is retained in the active state. Overall, our study highlights the importance of characterizing the functional dynamics of the GPCR loop domains.
}, keywords = {allosteric pathway, beta-2 adrenergic receptor, extramembrane domains, GPCR, loop dynamics, protein dynamics, protein network}, issn = {0887-3585}, doi = {10.1002/prot.26613}, author = {Nikte, Siddhanta V. and Joshi, Manali and Sengupta, Durba} } @article {49274, title = {Static and dynamic properties investigation of modified polyethersulfone membrane for direct methanol fuel cell applications}, journal = {JOURNAL OF POWER SOURCES}, volume = {615}, year = {2024}, month = {SEP }, type = {Journal Article}, keywords = {Cross-link membranes, Direct methanol fuel cell, Molecular modelling}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2024.235086}, author = {Shah, Mumtaj and Mesfer, Mohammed K. Al and Nagar, Harsha} } @article {49271, title = {Stereodivergent sila-germylenation vs. sila-stannylenation of an internal alkyne}, journal = {CHEMICAL COMMUNICATIONS}, volume = {60}, year = {2024}, month = {SEP }, pages = {9837-9840}, type = {Journal Article}, keywords = {DIVERSE REACTIVITY, H BOND ACTIVATION, hydrides}, issn = {1359-7345}, doi = {10.1039/d4cc02101k}, author = {Ajithkumar, V. S. and Ghanwat, Pratiksha B. and Saha, Sougata and Pati, Swapan K. and Sen, Sakya S.} } @article {49193, title = {Steroidal scaffold decorations in Solanum alkaloid biosynthesis}, journal = {Molecular Plant}, volume = {17}, year = {2024}, month = {AUG }, pages = {1236-1254}, type = {Article}, abstract = {
Steroidal glycoalkaloids (SGAs) are specialized metabolites produced by hundreds of Solanum species, including important vegetable crops such as tomato, potato, and eggplant. Although it has been known that SGAs play important roles in defense in plants and {\textquoteleft}{\textquoteleft}anti-nutritional{\textquoteright}{\textquoteright}effects (e.g., toxicity and bitterness) to humans, many of these molecules have documented anti-cancer, anti-microbial, antiinflammatory, anti-viral, and anti-pyretic activities. Among these, a-solasonine and a-solamargine isolated from black nightshade (Solanum nigrum) are reported to have potent anti-tumor, anti-proliferative, and anti-inflammatory activities. Notably, a-solasonine and a-solamargine, along with the core steroidal aglycone solasodine, are the most widespread SGAs produced among the Solanum plants. However, it is still unknown how plants synthesize these bioactive steroidal molecules. Through comparative metabolomictranscriptome-guided approach, biosynthetic logic, combinatorial expression in Nicotiana benthamiana, and functional recombinant enzyme assays, here we report the discovery of 12 enzymes from S. nigrum that converts the starting cholesterol precursor to solasodine aglycone, and the downstream a-solasonine, a-solamargine, and malonyl-solamargine SGA products. We further identified six enzymes from cultivated eggplant that catalyze the production of a-solasonine, a-solamargine, and malonyl-solamargine SGAs from solasodine aglycone via glycosylation and atypical malonylation decorations. Our work provides the gene tool box and platform for engineering the production of high-value, steroidal bioactive molecules in heterologous hosts using synthetic biology.
}, keywords = {a-solamargine, Biosynthetic pathway, malonyl-solamargine, Solanum, Specialized metabolites, steroidal glycoalkaloids}, issn = {1674-2052}, doi = {10.1016/j.molp.2024.06.013}, author = {Lucier, Rosalind and Kamileen, Mohamed O. and Nakamura, Yoko and Serediuk, Sofiia and Barbole, Ranjit and Wurlitzer, Jens and Kunert, Maritta and Heinicke, Sarah and O{\textquoteright}Connor, Sarah E. and Sonawane, Prashant D.} } @article {49422, title = {Strain improvement for cellulolytic enzymes for effective saccharification of lignocellulosic biomass by mutant of Penicillium funiculosum NCIM 1228}, journal = {Systems Microbiology and Biomanufacturing}, volume = {4}, year = {2024}, month = {FEB}, pages = {716{\textendash}730}, type = {Article}, abstract = {
Lignocellulosic biomass (LCB) generated from various agro-waste can be effectively used to manufacture a broad range of value-added products cost-effectively. However, the high cost of cellulases is still a major challenge in producing biofuels and biochemicals from LCB on an industrial scale. The enzyme output and activity of cellulase in the fermentation broth are closely linked in terms of enzyme manufacturing costs. Therefore, research on efficient fermentation processes of hyperactive fungi, and cost-effective recovery systems have been directed toward lowering enzyme costs and increasing overall enzyme production.\ Penicillium funiculosum\ NCIM 1228 (P. funiculosum\ NCIM 1228) is a feasible cellulase-producing strain that possesses all four enzymes required to efficiently hydrolyse LCB. The primary objective of this study was to employ random mutagenesis to increase enzymes titer, yield, and productivity. The potential mutant D4 (derived by Ethyl methanesulfonate (EMS) mutation) exhibited 6.47, 3.05, 3.03, and 3.19-fold higher activities of FPase, CMCase, β-glucosidase, and xylanase, respectively, compared to the parent strain. Mutant D4 demonstrated a promising protein titer of 17.96\ g/L at the 40\ L fermenter scale, with productivities of 479, 4249, and 6987 U/L/day for FPase, CMCase, and Xylanase, respectively, on the tenth day. Interestingly, the crude form of enzymes from the mutant demonstrated promising saccharification, releasing 3.54\% of glucose and achieving a 54.03\% of cellulose conversion efficiency without formulation. In comparison, a commercially formulated enzyme exhibited 53.07\% efficiency against pre-treated sugarcane bagasse, indicating its promising potential for future applications.
}, author = {Chavan, Sambhaji and Shete, Ashvini and Dharne, Mahesh S.} } @article {48966, title = {Strain improvement for enhanced erythritol production by Moniliella pollinis Mutant-58 using jaggery as a cost-effective substrate}, journal = {International Microbiology }, volume = {27}, year = {2024}, month = {APR}, pages = {581-596}, type = {Article}, abstract = {
Erythritol has been produced by various microorganisms including Yarrowia, Moniliella, Aureobasidium, and Candida strains. Due to its relatively high price, erythritol sweetener is used lesser than other polyols despite having many advantages. Therefore, in this study, Moniliella pollinis strain was improved for erythritol production by chemical mutagenesis and subsequently screening for cost-effective carbon sources for the enhanced erythritol yield. M. pollinis was subjected to N-methyl N-nitro N-nitroso guanidine (NTG), ethyl methyl sulfonate (EMS), and UV mutagenesis for improved erythritol production. The fmutant strains were evaluated for enhanced erythritol production medium optimization by using different carbon substrates at the shake flask level. To enhance the production of erythritol and statistical media, optimization was carried out using a central composite design (CCD). Among 198 isolated mutants, Mutant-58 strain generated by EMS mutagenesis was selected for further assessment. The Mutant-58 strain showed significant morphological changes as compared to the parent strain. Furthermore, statistically optimized media composition resulted in the higher production of erythritol (91.2 \& PLUSMN; 3.4 g/L) with a yield of 40.7 \& PLUSMN; 3.4 \% in shake flask experiments. The optimized medium composition for erythritol production constitutes (g/L) 225 jaggery, 4.4 yeast extract (YE), 4.4 KH2PO4, 0.31 MgSO4, and pH 5.5. The present study demonstrated strain improvement, media, and process optimization resulting in a 30\% increase in the erythritol production in the Mutant-58 as compared to the parent strain. This is also the first instance where jaggery has been used as a cost-effective carbon source alternative to glucose for industrial-scale erythritol production.
}, keywords = {Erythritol, Fermentation, Moniliella pollinis, Mutation, Optimization, renewable resource}, issn = {1139-6709}, doi = {10.1007/s10123-023-00411-8}, author = {Khatape, Anil B. and Rangaswamy, Vidhya and Dastager, Syed G.} } @article {49275, title = {Strategies employing transition-metal free conditions for C-C bond formation in indoles}, journal = {ChemistrySelect}, volume = {9}, year = {2024}, month = {SEP}, pages = {e202403280}, type = {Review}, abstract = {
Indole motifs are omnipresent in nature and can be found in many natural products as well as pharmaceuticals. It is for this reason synthetic transformations of indole have become a topic of interest for the organic and medicinal chemist community for decades. In this review, we have emphasized the functionalization of indoles via transition-metal-free approaches. This review touches on many aspects in different sub-sections, which gives a proposition of the tactics employed for the functionalization of indoles and an overview of the road ahead. In this review, essentially transition-metal-free conditions for C-C bond formation reactions in indoles has been explored. This review describes various approaches of functionalization at the C-2, C-3, C-4 and C-7 position of indoles which comprises arylation, alkenylation, acylation, formylation, alkylation, bisindolyl and cyclization strategies. Also, strategies incorporating N-alkylation/arylation has also been covered. image
}, keywords = {Alkylation, Arylation, formylation, Indole, transition-metal free}, issn = {2365-6549}, doi = {10.1002/slct.202403280}, author = {Ghodake, Balaji M. and Paul, Sayantan and Bhattacharya, Asish K.} } @article {49297, title = {Structural basis for a two-dimensional flexible pharmaceutical solvate crystal: indomethacin methanol}, journal = {CrystEngComm}, volume = {26}, year = {2024}, month = {OCT}, pages = {5694-5698}, type = {Article}, abstract = {
We report the first two-dimensionally (2D) elastically bendable and twistable pharmaceutical-solvate crystal, indomethacin methanol. Its flexibility is due to interlocked packing and a structural buffer acting like isotropic interactions. For the first time, we utilized Raman spectroscopy on the two elastic faces of a bent crystal region, revealing the inhomogeneous molecular distribution in the crystal structure during bending and validating the mechanistic model of the 2D elastic crystal. We present the first 2D elastic pharmaceutical-solvate crystal and utilized Raman spectroscopy to reveal inhomogeneous lattice distribution during bending.
}, doi = {10.1039/d4ce00920g}, author = {Bhowmik, Aritra and Bamane, Sanjivani and Mishra, Manish Kumar} } @article {49284, title = {Structural insights into ketanserin salts with aliphatic acids and their physiochemical properties}, journal = {CRYSTENGCOMM}, volume = {26}, year = {2024}, month = {NOV }, pages = {6260-6268}, type = {Journal Article}, keywords = {PHARMACEUTICAL COCRYSTAL, SEROTONIN, SHYDROCHLOROTHIAZIDE, solubility}, doi = {10.1039/d4ce00738g}, author = {Kenguva, Gowtham and Rout, Smruti Rekha and Shaikh, Tabrez R. and Baidya, Debjani and Shelke, Nikita and Sanphui, Palash and Dandela, Rambabu} } @article {49234, title = {Structural origin of relaxation in dense colloidal suspensions}, journal = {PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA}, volume = {121}, year = {2024}, month = {OCT }, type = {Journal Article}, keywords = {DEFORMATION, flow, glass-transition, ORDER, SOFT}, issn = {0027-8424}, doi = {10.1073/pnas.2405515121}, author = {Sahu, Ratimanasee and Sharma, Mohit and Schall, Peter and Bhattacharyya, Sarika Maitra and Chikkadi, Vijayakumar} } @article {49285, title = {Structure of epoxide hydrolase 2 from Mangifera indica throws light on the substrate specificity determinants of plant epoxide hydrolases}, journal = {Biochemical and Biophysical Research Communications}, volume = {733}, year = {2024}, month = {NOV }, pages = {150444}, type = {Article}, abstract = {
Epoxide hydrolases (EHs) are a group of ubiquitous enzymes that catalyze hydrolysis of chemically reactive epoxides to yield corresponding dihydrodiols. Despite extensive studies on EHs from different clades, generic rules governing their substrate specificity determinants have remained elusive. Here, we present structural, biochemical and molecular dynamics simulation studies on MiEH2, a plant epoxide hydrolase from Mangifera indica. Comparative structure-function analysis of nine homologs of MiEH2, which include a few AlphaFold structural models, show that the two conserved tyrosines (MiEH2Y152 and MiEH2Y232) from the lid domain dissect substrate binding tunnel into two halves, forming substrate-binding-pocket one (BP1) and two (BP2). This compartmentalization offers diverse binding modes to their substrates, as exemplified by the binding of smaller aromatic substrates, such as styrene oxide (SO). Docking and molecular dynamics simulations reveal that the linear epoxy fatty acid substrates predominantly occupy BP1, while the aromatic substrates can bind to either BP1 or BP2. Furthermore, SO preferentially binds to BP2, by stacking against catalytically important histidine (MiEH2H297) with the conserved lid tyrosines engaging its epoxide oxygen. Residue (MiEH2L263) next to the catalytic aspartate (MiEH2D262) modulates substrate binding modes. Thus, the divergent binding modes correlate with the differential affinities of the EHs for their substrates. Furthermore, long-range dynamical coupling between the lid and core domains critically influences substrate enantioselectivity in plant EHs.
}, keywords = {Enantioselectivity, Epoxide hydrolase, molecular dynamics simulation, Regioselectivity, X-ray crystallography}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2024.150444}, author = {Bhoite, Ashwini and Gaur, Neeraj K. and Palange, Megha and Kontham, Ravindar and Gupta, Vidya and Kulkarni, Kiran} } @article {49204, title = {Supercritical water hydrolysis of cellulose: State-of-the-art of green depolymerisation technique}, journal = {Biomass \& Bioenergy}, volume = {184}, year = {2024}, month = {MAY}, pages = {107182}, type = {Article}, abstract = {
Bio-refinery is a critical infrastructure to facilitate the fullest energy extraction from the pivotal energy resource biomass. Hydrolysis of the most abundant biomass constituent biopolymer cellulose to produce cello-oligomers and glucose is a critical step for the efficient production of various chemicals and fuels. Supercritical water hydrolysis (SCWH) of cellulose has emerged as the promising greener technology for the production of glucose and simple sugars. Glucose production by SCWH enables the process integration or cascading for the production of various biofuels, bioenergy, bio-based chemicals, and various bio-products, necessary for the impeccable success of cellulosic biomass-based bio-refinery. Starting from the unique interaction of cellulose and supercritical water, this minireview provides an insight into the various aspects of the SCWH of cellulose including mechanism, reaction pathways, product distribution, process optimization, and kinetic modelling. The batch reactors are simple reactor configurations for such high pressure and temperature; however, continuous flow reactors are essential for better control over process conditions and for an efficient process. With more understanding of reaction mechanism and product distribution, heat and mass transfer conjugation with reaction rates and design of high-pressure equipment, an efficient completely green process can be developed for cellulose and such biopolymer hydrolysis.
}, keywords = {Bio-refinery, cellulose, glucose, Supercritical water, Ultra-fast reactions}, issn = {0961-9534}, doi = {10.1016/j.biombioe.2024.107182}, author = {Kulkarni, Sphurti P.} } @article {49231, title = {Supramolecular polyplexes from Janus peptide nucleic acids (bm-PNA-G5): self-assembled bm-PNA G-quadruplex and its tetraduplex with DNA}, journal = {ORGANIC \& BIOMOLECULAR CHEMISTRY}, volume = {22}, year = {2024}, month = {AUG 22}, pages = {6810-6821}, type = {Journal Article}, keywords = {DOUBLE-HEADED NUCLEOTIDES, ENERGY-TRANSFER, Guanine, MAJOR GROOVE}, issn = {1477-0520}, doi = {10.1039/d4ob00968a}, author = {Todkari, Iranna Annappa and Chaudhary, Preeti and Kulkarni, Mahesh J. and Ganesh, Krishna N.} } @article {49114, title = {Surface electronic properties-driven electrocatalytic nitrogen reduction on metal-conjugated porphyrin 2D-MOFs}, journal = {ACS Applied Materials and Interfaces}, volume = {16}, year = {2024}, month = {FEB }, pages = {8707-8716}, type = {Article}, abstract = {
Two-dimensional (2D) metal organic framework (MOF) or metalloporphyrin nanosheets with a stable metal-N-4 complex unit present the metal as a single-atom catalyst dispersed in the 2D porphyrin framework. First-principles calculations on the 3d-transition metals in M-TCPP are investigated in this study for their surface-dependent electronic properties including work function and d-band center. Crystal orbital Hamiltonian population (-pCOHP) analysis highlights a higher contribution of the bonding state in the M-N bond and antibonding state in the N-N bond to be essential for N-N bond activation. A linear relationship between Delta G(max) and surface electronic properties, N-N bond strength, and Bader charge has been found to influence the rate-determining potential for nitrogen reduction reaction (NRR) in M-TCPP MOFs. 2D Ti-TCPP MOF, with a kinetic energy barrier of 1.43 eV in the final protonation step of enzymatic NRR, shows exclusive NRR selectivity over competing hydrogen reduction (HER) and nitrogenous compounds (NO and NO2). Thus, Ti-TCPP MOF with an NRR limiting potential of -0.35 V in water solvent is proposed as an attractive candidate for electrocatalytic NRR.
}, keywords = {Density Functional Theory (DFT), electrocatalytic nitrogen reductionreaction, kinetic energy barrier, limitingpotential, Metalloporphyrin, NRR selectivity}, issn = {1944-8244}, doi = {10.1021/acsami.3c16406}, author = {Maibam, Ashakiran and Orhan, Ibrahim B. and Krishnamurty, Sailaja and Russo, Salvy P. and BabaRao, Ravichandar} } @article {49401, title = {Surface-anchored PtNi alloy network over SiO2 (PtNi/SiO2): a versatile carbon-free cathode for proton exchange membrane fuel cells (PEMFCs)}, journal = {ACS Applied Engineering Materials}, volume = {2}, year = {2024}, month = {APR}, type = {Article}, abstract = {
The large-scale commercialization of the PEMFCs is hindered due to the high cost of the Pt-based electrocatalysts (Pt/C) and the low durability associated with the oxidation of the carbon support in Pt/C. Many Pt-based carbon-free electrocatalysts have been explored, exhibiting excellent stability and activity, but the performance is further expected to be improved by developing suitable Pt alloy catalysts based on the carbon-free supports. To explore this possibility, we have developed a PtNi/SiO2\ alloy system, which acts as a carbon-free electrocatalyst exhibiting enhanced activity for the oxygen reduction reaction (ORR). A half-cell study of PtNi/SiO2\ (45 wt\%) shows \~{}4.3 times higher ORR activity compared to the state-of-the-art Pt/C (40\%). The uniform distribution of the PtNi nanoparticles over SiO2\ is the crucial feature of the catalyst. PtNi/SiO2\ shows better durability even after 5000 cycles compared to the state-of-the-art Pt/C. The catalyst shows a negative shift in the half-wave potential (E1/2) by only 5 mV, which is lower than that of the 11 mV drop incurred by Pt/C. Considering this high activity of the PtNi/SiO2\ catalyst for the ORR, we tried to explore the possibility of demonstrating a single-cell PEMFC in the MEA by pairing the catalyst as the cathode along with the Pt/C as the anode. This paired configuration of the single cell is found to be providing promising performance by delivering a current density of 960 mA/cm2\ at 0.60 V and a maximum power density of 835 mW/cm2. Thus, this study outlines the possibility of developing potential alloy combinations of Pt on carbon-free substrates and then deploying them as electrodes for PEMFC applications. In the context of mitigating the carbon corrosion-related issues without compromising the intrinsic activities of the catalysts, the development of suitable alloy combinations on various carbon-free substrates is of significant technological advantages. The formation of the alloy phase along with the fine and uniform distribution of the alloy nanoparticles on the SiO2\ substrate, followed by its successful deployment as the cathode of a single cell, points toward the scope of exploring material developments in this direction.
}, doi = {https://doi.org/10.1021/acsaenm.4c00091}, author = {Kumar, Sachin and Yoyakki, Athira and Kurungot, Sreekumar} } @article {49387, title = {Sustainable bioprocess technology for producing food-flavour (+)-γ-decalactone from castor oil-derived ricinoleic acid using enzymatic activity of Candida parapsilosis: Scale-up optimization and purification using novel composite}, journal = {Journal of Biotechnology}, volume = {393}, year = {2024}, month = {SEP}, pages = {17-30}, type = {Article}, abstract = {
Ricinoleic acid (RA) from castor oil was employed in biotransformation of peach-flavoured gamma-decalactone (GDL), using a Candida parapsilosis strain (MTCC13027) which was isolated from waste of pineapple crown base. Using four variables-pH, cell density, amount of RA, and temperature-the biotransformation parameters were optimized using RSM and BBD. Under optimized conditions (pH 6, 10 \% of microbial cells, 10 g/L RA at 28 degrees C), the conversion was maximum and resulted to 80 \% (+)-GDL (4.4 g/L/120 h) yield in shake flask (500 mL). Furthermore, optimization was achieved by adjusting the aeration and agitation parameters in a 3 L bioreactor, which were then replicated in a 10 L bioreactor to accurately determine the amount of (+)-GDL. In bioreactor condition, 4.7 g/L (\>85 \%) of (+)-GDL is produced with 20 \% and 40 \% dissolved oxygen (1.0 vvm) at 150 rpm in 72 h and 66 h, respectively. Further, a new Al-Mg-Ca-Si composite column-chromatography method is developed to purify enantiospecific (+)-GDL (99.9 \%). This (+)-GDL is 100 \% nature-identical as validated through 14C-radio-carbon dating. Thorough chemical investigation of enantiospecific (+)-GDL is authenticated for its use as flavour. This bioflavour has been developed through a cost-effective biotechnological process in response to the demand from the food industry on commercial scale.
}, keywords = {(+)-gamma-Decalactone, Al-Mg-Ca-Si composite, Bioflavour, Candida parapsilosis, castor oil, Food-waste}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2024.07.011}, author = {Syed, Naziya and Singh, Suman and Chaturvedi, Shivani and Kumar, Prashant and Kumar, Deepak and Jain, Abhinav and Sharma, Praveen Kumar and Nannaware, Ashween Deepak and Chanotiya, Chandan Singh and Bhambure, Rahul and Kumar, Pankaj and Kalra, Alok and Rout, Prasant Kumar} } @article {49321, title = {SWATH-MS reveals that bisphenol A and its analogs regulate pathways leading to disruption in insulin signaling and fatty acid metabolism}, journal = {Food and Chemical Toxicology}, volume = {188}, year = {2024}, month = {JUN}, pages = {114667}, type = {Article}, abstract = {
Bisphenol A (BPA) is an endocrine-disrupting chemical (EDC), associated with obesity and insulin resistance. The FDA prohibited the use of BPA-based polycarbonate resins in infant formula packaging; thus, its analogs, viz. Bisphenol S (BPS) and Bisphenol F (BPF) were considered alternatives in epoxy resins, plastics, and food cans. As these analogs might evoke a similar response, we investigated the role of Bisphenols (BPA, BPF, and BPS), on insulin signaling in CHO-HIRc-myc-GLUT4eGFP cells at environmentally relevant concentrations of 2 nM and 200 nM. Insulin signaling demonstrated that Bisphenols reduced phosphorylation of IR and AKT2, GLUT4 translocation, and glucose uptake. This was accompanied by increased oxidative stress. Furthermore, SWATHMS-based proteomics of 3T3-L1 cells demonstrated that Bisphenol-treated cells regulate proteins in insulin resistance, adipogenesis, and fatty acid metabolism pathways differently. All three Bisphenols induced differentially expressed proteins enriched similar pathways, although their abundance differed for each Bisphenol. This might be due to their varying toxicity level, structural differences, and estrogen-mimetic activity. This study has important implications in addressing health concerns related to EDCs. Given that the analogs of BPA are considered alternatives to BPA, the findings of this study suggest they are equally potent in altering fatty acid metabolism and inducing insulin resistance.
}, keywords = {Bisphenols, Estrogen, Lipid droplet, Mitochondrial beta-oxidation, Oxidative stress, PPAR gamma}, issn = {0278-6915}, doi = {10.1016/j.fct.2024.114667}, author = {Kulsange, Shabda E. and Sharma, Monika and Sonawane, Babasaheb and Jaiswal, Meera R. and Kulkarni, Mahesh J. and Santhakumari, B.} } @article {49246, title = {Switchable molecular electrocatalysis}, journal = {CHEMICAL SCIENCE}, volume = {15}, year = {2024}, month = {AUG }, pages = {13262-13270}, type = {Journal Article}, keywords = {CO2 reduction, COBALT PHTHALOCYANINE, NANOPOROUS GOLD, oxygen reduction}, issn = {2041-6520}, doi = {10.1039/d4sc01284d}, author = {Dutt, Shifali and Kottaichamy, Alagar Raja and Dargily, Neethu Christudas and Mukhopadhyay, Sanchayita and Nayak, Bhojkumar and Devendrachari, Mruthyunjayachari Chattanhali and Vinod, Chatakudhath Prabakaran and Kotresh, Harish Makri Nimbegondi and Thotiyl, Musthafa Ottakam} } @article {49424, title = {Synergistic combination of ZnCl2/Cu-BTC MOF for the photocatalytic oxidative deamination of benzylamines using CO2 under visible-light irradiation}, journal = {ACS Applied Engineering Materials}, volume = {2}, year = {2024}, month = {JUL}, pages = {2095{\textendash}2101}, type = {Article}, abstract = {
This paper demonstrates the first CO2-mediated oxidative deamination of benzylamines to benzaldehydes using a combination of ZnCl2\ and Cu-BTC MOF as photocatalysts in a carbon tetrachloride solvent under visible-light irradiation. Interestingly, the synergistic combination of ZnCl2\ and Cu-BTC afforded the targeted oxidation of benzylamine to benzaldehyde, wherein CO2\ acted as an oxidant. The individual components yielded the corresponding imine as the main product, resulting from the oxidative coupling of the benzylamine. DFT calculations and computational studies supported the proposed reaction pathways involving the formation of an intermediate imine from benzylamine via dehydrogenation followed by hydrolysis to produce benzaldehyde. This work, demonstrating the use of CO2\ as an oxidant, may open up new avenues for CO2\ utilization in chemical production by using sustainable light energy.
}, doi = {https://doi.org/10.1021/acsaenm.4c00251}, author = {Kumar, Amod and Bhatt, Sakshi and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Jain, Suman L.} } @article {49340, title = {Synergistic effect of lactam and pyridine nitrogen on polysulfide chemisorption and electrocatalysis in lithium sulfur batteries}, journal = {ACS APPLIED MATERIALS \& INTERFACES}, volume = {16}, year = {2024}, month = {AUG }, pages = {42059-42068}, keywords = {Li-S battery, phenyl-diketopyrrolopyrrole, pyridine-diketopyrrolopyrrole}, issn = {1944-8244}, doi = {10.1021/acsami.4c05128}, author = {Javaregowda, Bharathkumar H. and Kargude, Radhakisan and Birajdar, Sarika and Shivankar, Bhavana and Krishnamurty, Sailaja and Jones, Lathe A. and Caruso, Rachel A. and Krishnamoorthy, Kothandam} } @article {49334, title = {Synergistic effects of the substrate-ligand interaction in metal-organic complexes on the de-electronation kinetics of a vitamin C fuel cell}, journal = {Dalton Transactions}, volume = {53}, year = {2024}, month = {AUG }, pages = {13384-13393}, type = {Article}, abstract = {
The rising demand for portable energy conversion devices has spurred the advancement of direct liquid fuel cells (DLFCs) employing fuels such as alcohol, ammonia, hydrazine, and vitamin C. In these devices, various precious metal platforms have been explored to increase the de-electronation kinetics and reduce catalyst poisoning, but with substantial cost implications. We demonstrate the crucial role of ligands in non-precious organometallic complexes in influencing the de-electronation kinetics of fuel molecules through a unique substrate-ligand synergistic interaction. This unique chemistry imparts electron deficiency at the catalytic metal center while simultaneously populating the ligand with an extensive proton charge assembly. This distinct substrate-ligand interaction enhances the DLFC performance by coulombically dragging the substrate with a distinct amplification in its de-electronation kinetics. By integrating this approach with a ferricyanide/ferrocyanide half-cell reaction, a precious metal-free vitamin C fuel cell is developed, which is capable of generating an open circuit voltage of similar to 950 mV, a peak power density of similar to 97 mW cm-2 at a peak current density of similar to 215 mA cm-2 with the performance metrics nearly 1.7 times higher than a precious metal based DLFC. This highlights the potential of the substrate-ligand synergy in the design of efficient molecular catalysts for energy conversion applications. A precious metal-free biomass fuel cell through substrate-ligand interactions.
}, issn = {1477-9226}, doi = {10.1039/d4dt01370k}, author = {Parmar, Muskan and Mukhopadhyay, Sanchayita and Mondal, Ritwik and Nayak, Bhojkumar and Dargily, Neethu Christudas and Kotresh, Harish Makri Nimbegondi and Vinod, Chathakudath Prabhakaran and Ottakam Thotiyl, Musthafa} } @article {49207, title = {Synergistic humidity-responsive mechanical motion and proton conductivity in a cationic covalent organic framework}, journal = {CHEM}, volume = {10}, year = {2024}, month = {AUG }, type = {Journal Article}, keywords = {ACTUATORS, Crystalline, DRIVEN, SOFT}, issn = {2451-9294}, doi = {10.1016/j.chempr.2024.04.018}, author = {Das, Gobinda and Shinde, Dhanraj B. and Melapurakkal, Amrutha and Shelke, V, Manjusha and Garai, Bikash and Bazin, Philippe and Blal, Abdelhafid Ait and Benyettou, Farah and Prakasam, Thirumurugan and Halim, Rasha Abdul and Ibrahim, Fayrouzabou and Sharma, Sudhir Kumar and Varghese, Sabu and Weston, James and Jagannathan, Ramesh and Addicoat, Matthew A. and Gandara, Felipe and Olson, Mark A. and El-Roz, Mohamad and Trabolsi, Ali} } @article {48983, title = {Synthesis and antimicrobial evaluation of novel 2{\textquoteright}-aryl-4-aryl-2,4{\textquoteright}-Bisthiazole and 2{\textquoteright}-aryl-4-Pyridyl-2,4{\textquoteright}-bisthiazole derivatives as potential antibacterial agents}, journal = {Polycyclic Aromatic Compound }, volume = {44}, year = {2024}, month = {FEB }, pages = {773-787}, type = {Article}, abstract = {
In continuation of our research work to explore bisthiazole derivatives as potential antimicrobial agents, herein we reported the synthesis of a series of novel 2{\textquoteright}-aryl-4-aryl-2,4{\textquoteright}-bisthiazole (7a-t) and 2{\textquoteright}-aryl-4-pyridyl-2,4{\textquoteright}-bisthiazole (9a-l) by cyclocondensation of 2-aryl thiazole-4-carbothioamide 5a-d with 2-bromo-1-arylethanone (6a-e) and bromo-1-(pyridin-2/3/4-yl)ethanone (8a-c), respectively. These novel candidates were evaluated in vitro for their antibacterial potential against four pathogenic bacteria, Escherichia coli (NCIM 2576), Pseudomonas flurescence (NCIM 2059), Staphylococcus aureus (NCIM 2602), and Bacillus subtilis (NCIM 2162). The synthesized compounds were also screened for their in vitro antifungal activity against Candida albicans (NCIM 3100). Among them, compounds 7b, 9d, 9 g, 9i, and 9 l exhibited excellent antibacterial activity with MIC 2.1 to 12.3 mu g/mL against all tested strains. Most of the compounds reported moderate antifungal activity. The pyridine ring-substituted bisthiazole reported good to excellent antibacterial activity as compared to phenyl ring-substituted bisthiazole. The potential antibacterial activity suggested that bisthiazole derivatives could assist in the development of lead compounds to treat microbial infections.
}, keywords = {24{\textquoteright}-bisthiazole, antibacterial activity, Antifungal activity, cyclocondensation}, issn = {1040-6638}, doi = {10.1080/10406638.2023.2180524}, author = {Nalawade, Jitendra and Shinde, Abhijit and Abhale, Yogita K. and Nandurkar, Yogesh and Bobade, Vivek D. and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {49287, title = {Synthesis and film formation of aqueous emulsion polymer latexes featuring hydrogen bonding via a janus guanine-cytosine base monomer}, journal = {ACS APPLIED POLYMER MATERIALS}, volume = {6}, year = {2024}, month = {MAY }, pages = {6495-6507}, type = {Journal Article}, keywords = {Emulsion polymerization, Film formation, Hydrogenbonding, Supramolecular networks}, issn = {2637-6105}, doi = {10.1021/acsapm.4c00738}, author = {Thompson, Steven W. and Li, Joanna and Singh, Dharmendra and Sanjayan, Gangadhar J. and Zetterlund, Per B.} } @article {49328, title = {Synthesis and processing strategy for high-bandgap PbS quantum dots: a promising candidate for harvesting high-energy photons in solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {16}, year = {2024}, month = {AUG }, pages = {42522-42533}, type = {Article}, abstract = {
The wide tunability of the energy bandgap of colloidal lead sulfide (PbS) quantum dots (QDs) has uniquely positioned them for the development of single junction and tandem solar cells. While there have been substantial advancements in moderate and narrow bandgap PbS QDs-ideal for single junction solar cells and the bottom cell in tandem solar cells, respectively; progress has been limited in high-bandgap PbS QDs that are ideally suited for the formation of the top cell in tandem solar cells. The development of appropriate high bandgap PbS QDs would be a major advancement toward realizing efficient all-QD tandem solar cells utilizing different sizes of PbS QDs. Here, we report a comprehensive approach encompassing synthetic strategy, ligand engineering, and hole transport layer (HTL) modification to implement high-bandgap PbS QDs into solar cell devices. We achieved a greater degree of size homogeneity in high-bandgap PbS QDs through the use of a growth retarding agent and a partial passivation strategy. By adjusting the ligand polarity, we successfully grow HTL over the QD film to fabricate solar cells. With the aid of an interface modifying layer, we incorporated an organic HTL for the realization of high-performance solar cells. These solar cells exhibited an impressive open-circuit voltage of 0.824 V and a power conversion efficiency of 10.7\%, marking a 360\% improvement over previous results.
}, keywords = {charge transport, lead sulfide, ligand passivation, quantum dots, solar cell}, issn = {1944-8244}, doi = {10.1021/acsami.4c09364}, author = {Shinde, Dipak Dattatray and Sharma, Anjali and Dambhare, Neha V. and Mahajan, Chandan and Biswas, Arindam and Mitra, Anurag and Rath, Arup K.} } @article {49416, title = {Synthesis, characterization, and crystal structure of 2-(2-azido-phen-yl)-3-oxo-3H-indole 1-oxide}, journal = {Acta Crystallographica Section E Crystallographic Communications}, volume = {80}, year = {2024}, month = {MAR}, pages = {310-313}, abstract = {

An attempt to explore the reactivity of the nitro group in the presence of gold catalysis in comparison to the azide group yielded intriguing results. Surprisingly, only the nitro group exhibited reactivity, ultimately giving rise to the formation of the title isatogen.

An attempt to explore the reactivity of the nitro group in the presence of gold catalysis in comparison to the azide group yielded intriguing results. Surprisingly, only the nitro group exhibited reactivity, ultimately giving rise to the formation of the title isatogen, C14H8N4O2. In the crystal structure, weak C{\textemdash}H...O hydrogen bonds and π{\textendash}π stacking inter-actions link the mol-ecules. The structure exhibits disorder of the mol-ecule.

\
}, doi = {https://doi.org/10.1107/S2056989024001440}, author = {Dhote, Pawan and Tothadi, Srinu and Ramana, Chepuri V. and Chopra, D.} } @article {49018, title = {Synthesis, crystal growth, physicochemical study of 1,3-dihexyl-2-me-thyl-1H-benzo[d]imidazol-3-ium bromide and in silico nonlinear optical property determination}, journal = {Journal of Molecular Structure}, volume = {1307}, year = {2024}, month = {JUL }, type = {Article}, abstract = {
This study encompasses the synthesis and characterization of 1,3-dihexyl-2-methyl-1H-benzo[d]imidazol-3-ium bromide (DHBIB) using techniques such as NMR, IR, and HRMS. The study also explores the influence of different solvents, specifically water and acetonitrile, on the growth of single crystals. An intriguing observation is the transformation of crystal packing from orthorhombic to monoclinic when solvent conditions change, illustrating the pivotal role of the cation in controlling the crystal structure of DHBIB salts. The analysis of its electronic properties reveal a deep -lying LUMO (-3.73 eV), suggesting DHBIB{\textquoteright}s electron -accepting characteristics. Furthermore, the study records absorption maxima ( lambda max ) at 279 nm and 282 nm in various solvents, demonstrating that DHBIB lacks absorption in the visible range (400-800 nm), making it promising for non-linear optical (NLO) applications. Analysis of the natural bond orbital (NBO) stabilization energies 50.87, 42.12, and 45.33 kcal/mol along pi(C3-C4) -\> pi*(C6-C8), pi(C3-C4) -\> pi*(C10-C12), and pi (C10-C12) -\> pi*(C6-C8) reveal a preference for intramolecular charge transfer in DHBIB. Enhanced first and second -order hyperpolarizabilities ( beta ; 13.47x10 -30 esu, gamma ; 75.36x10 - 36 esu) compared to benzimidazole and benzimidazolium salicylate salt further supports its potential for NLO applications.
}, keywords = {DHBIB, Hyperpolarizability, Monoclinic, NBO, Orthorhombic}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2024.137956}, author = {Siddiqui, Zahir Ali and Gamidi, Rama Krishna and Sekar, Nagaiyan and More, Sandeep} } @article {49626, title = {Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-meth--oxy-phen-yl)picolinamide}, journal = {Acta Crystallographica Section E: Crystallographic Communications}, volume = {80}, year = {2024}, month = {DEC}, pages = {1293-1297}, type = {Article}, abstract = {
The synthesis,\ crystal structure,\ and Hirshfeld surface analysis of\ N-(4-meth-oxy-phen-yl)picolinamide (MPPA), C13H12N2O2, are presented. MPPA crystallizes in the monoclinic\ space group\ P21/n, with a single mol-ecule in the\ asymmetric unit.\ Structural analysis reveals that all non-hydrogen atoms are nearly coplanar, and the mol-ecule exhibits two intra-molecular hydrogen bonds that stabilize its conformation. Supra-molecular features include significant inter-molecular inter-actions, primarily C{\textemdash}H...π\ and various hydrogen bonds, contributing to the overall crystal cohesion, as confirmed by energy framework calculations yielding a total inter-action energy of -138.3 kJ mol-1. Hirshfeld surface analysis indicates that H...H inter-actions dominate, followed by C...H and O...H inter-actions, highlighting the role of\ van der Waals forces\ and hydrogen bonding in crystal packing.
}, doi = {https://doi.org/10.1107/S2056989024010843}, author = {Burieva, Dilnoza and Torambetov, Batirbay and Bobonazarova, Sarvinoz and Abdushukurov, Anvar and Kholikov, Tursinali and Khan, Akram A and Ashurov, Jamshid and Yusufov, Mukhriddin} } @article {49277, title = {Synthesis of benzofuran-6-carboxylic acid, an intermediate of lifitegrast with low-carbon footprints}, journal = {ACS SUSTAINABLE CHEMISTRY \& ENGINEERING}, volume = {12}, year = {2024}, month = {OCT}, pages = {15671-15681}, type = {Journal Article}, keywords = {benzofuran-6-carboxylicacid, dry eye disease, life cycle, lifitegrast, process development}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c06361}, author = {Zade, Vishal M. and Athawale, Paresh R. and Kopperi, Harishankar and Mohan, S. Venkata and Reddy, D. Srinivasa} } @article {49211, title = {Synthesis of Hofmann-based metal-organic frameworks incorporating a bis-pyrazole linker for various gas separations}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {12}, year = {2024}, month = {JUN 25}, pages = {15106-15114}, type = {Journal Article}, keywords = {acetylene, C2H2/CH4, Ni, Purification, SPIN-CROSSOVER BEHAVIOR}, issn = {2050-7488}, doi = {10.1039/d4ta00507d}, author = {Matthews, Brooke L. and Harvey-Reid, Nathan C. and Jangodaz, Elnaz and Scott, Victoria-Jayne and Polson, Matthew I. J. and Maibam, Ashakiran and BabaRao, Ravichandar and Telfer, Shane G. and Kruger, Paul E.} } @article {49649, title = {Synthesis of imine-phenoxy ligated palladium complexes for norbornene homopolymerization}, journal = {Inorganic Chemistry}, volume = {64}, year = {2024}, month = {DEC }, pages = {25-36}, type = {Article}, abstract = {
Metal complexes with tunable ligands play a crucial role in olefin polymerization and impart control over molecular weight, crystallinity, and stereoregularity. We report the single-step synthesis of imine-phenoxy ligands in excellent yields (81-93\%). The identity of electronically tuned imine-phenoxy ligands was unambiguously ascertained by using a combination of spectroscopic and analytical methods. These ligands were treated with [Pd(COD)MeCl] in the presence of 2,6-lutidine, resulting in the formation of discrete mononuclear palladium complexes Pd1-Pd4 in excellent yields. 1-2D NMR spectroscopy, mass spectrometry analysis, and single-crystal X-ray diffraction confirmed the identity of the palladium complexes. X-ray analysis revealed a distorted square planar geometry around the palladium center. Proton NMR analysis suggested that the Pd1 catalyst was deshielded, indicating electronically deficient palladium metal compared to the other complexes. Moreover, the Pd1 catalyst showed the highest buried volume percentage (\%Vbur = 44.9). When exposed to norbornene, Pd1-Pd4 were found to be active and produced poly(norbornene) (PNB). High-temperature SEC analysis revealed that the electronically deficient and sterically hindered Pd1 catalyst produced the highest molecular weight polymer (PNB 37.4 kDa). Boron and aluminum-based cocatalysts were screened, and MMAO was found to outperform others with high catalytic activity (up to 63.2 x 105 g of PNB (mol Pd)-1 h-1).
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.4c04117}, author = {Birajdar, Rajkumar S. and Gupta, Poonam and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {49397, title = {Synthesis of pyrazole and 1,3,4-oxadiazole derivatives of pharmaceutical potential}, journal = {Prospects in Pharmaceutical Sciences}, volume = {22}, year = {2024}, month = {Aug}, pages = {127{\textendash}135}, abstract = {
Heterocyclic compounds are important molecules that serve as scaffolds or linkers for the core structure of numerous drug substances. In particular, pyrazole and 1,3,4-oxadiazole are compounds of great interest due to their comprehensive biological activities and interesting structural features. Here, we described an efficient and economical synthetic route leading to\ N-phenyl substituted pyrazole and 1,3,4-oxadiazole derivatives. Retrosynthetic disconnective analysis showed that the\ N-phenyl substituted pyrazole can be obtained from chalcone, accessible from the respective aldehyde, and acetophenone. The disubstituted 1,3,4-oxadiazole can be constructed from the respective aldehyde, which originates from pyrrole-containing compound, and formyl chloride. Based on our retrosynthetic analysis,\ N-phenyl substituted pyrazole was obtained by cyclization of the respective chalcone with phenylhydrazine to give pyrazoline which was in turn converted into pyrazole by oxidative aromatization. Potassium carbonate and a catalytic amount of molecular iodine were used to oxidatively cyclize semicarbazones into 1,3,4-oxadiazoles in a transition metal-free process. Novel pyrazole and 1,3,4-oxadiazoles with potential biological activity are investigated as antituberculosis, anticonvulsant, antidiabetic, anticancer, and tyrosinase inhibitory agents.
}, doi = {10.56782/pps.235}, url = {https://prospects.wum.edu.pl/index.php/pps/article/view/235}, author = {Kadam, Mayur and Jadhao, Nitin L. and Gajbhiye, Jayant M.} } @article {49646, title = { Synthesis of quinazolinone based spirocyclopropanes via [3?+?2] cycloaddition reaction: in silico anti-tubercular molecular docking studies and ADME prediction}, journal = {Polycyclic Aromatic Compounds}, volume = {44}, year = {2024}, month = {SEP}, type = {Article}, abstract = {
A highly efficient cascade annulation approach is developed for the synthesis of novel quinazolinone-based spirocyclopropanes\ via\ three-component [3 + 2] cycloaddition reaction with aldehydes, tosylhydrazide and quinazolinyl chalcones. The reaction features the formation of two C{\textendash}C bonds and three stereogenic centers. A variety of highly functionalized spirocyclopropyl quinazolinones were obtained in good yields under mild reaction conditions. Furthermore,\ in silico\ anti-tubercular (anti-TB) molecular docking studies were performed for the generated compounds against three Mycobacterium tuberculosis proteins with PDBID: 1DF7, 1P44 and 4TZK. ADME prediction were evaluated for the drug like properties of the synthesized compounds.
}, doi = {https://doi.org/10.1080/10406638.2023.2257838}, author = {Allaka, Bhargava Sai and Kanchrana, Madhu and Gamidi, Rama Krishna and Basavoju, Srinivas} } @article {49304, title = {Synthesis of tetracyclic benzoxazolo-indol-3-ones from isatogens and arynes through a [3+2]-cycloaddition and skeletal reorganization}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {OCT }, pages = {14919-14928}, type = {Article}, abstract = {
The construction of an unprecedented tetracyclic benzoxazolo-indol-3-one scaffold has been executed through the [3 + 2]-cycloaddition of isatogens with arynes. The initially formed benzisoxazolo-indol-3-one intermediate undergoes a skeletal reorganization through a 1,3-sigmatropic shift/retro-Mannich reaction with the net formation of one C-N and two C-O bonds. The Lewis acid-catalyzed allylation of some of the resulting benzoxazolo-indol-3-ones resulted in oxazepino-indolones with promising photophysical properties.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c01667}, author = {Halnor, Swapnil V. and Singh, Maneesha and Dhote, Pawan S. and Ramana, Chepuri V.} } @article {49248, title = {Synthesis of Ti1-xWx solid solution MAX phases and derived MXenes for sodium-ion battery anodes}, journal = {ADVANCED FUNCTIONAL MATERIALS}, volume = {34}, year = {2024}, month = {OCT}, type = {Journal Article}, keywords = {Behavior, CARBIDE MXENE, INTERCALATION MECHANISM, TI}, issn = {1616-301X}, doi = {10.1002/adfm.202406499}, author = {Ratzker, Barak and Favelukis, Bar and Baranov, Mark and Rathod, Yugal and Greenberg, Avia and Messer, Or and Goldstein, Dor A. and Upcher, Alexander and Ezersky, Vladimir and Maman, Nitzan and Biran, Ido and Natu, Varun and Sokol, Maxim} } @article {49378, title = {Synthesized novel chromogenic reagent and sensor: detection and identification of dichlorvos}, journal = {Heliyon}, volume = {10}, year = {2024}, month = {MAY}, pages = {e31217}, type = {Article}, abstract = {
We developed a novel chromogenic reagent and sensor by selective approach, for the detection and identification of dichlorvos, which we tested with the thin layer chromatography method. For the first time, we reported in situ-generated glyoxal as a hydrolysis product, which then interacts with isoniazid to produce a yellow-colored cyclic compound. We used well-known spectroscopic techniques to confirm the chemical identity of the final product. We initially investigated the reaction using a variety of approaches, followed by attempts to establish the reaction mechanism using Density Functional Theory by Gaussian software.
}, keywords = {DFT analysis, Dichlorvos, Gloyxal, Hydrazone, Isoniazid}, doi = {10.1016/j.heliyon.2024.e31217}, author = {Gedam, Ashwin D. and Katiya, Manish M. and Dhonde, Madhukar G. and Ganorkar, Kapil S. and Thakare, Vijay J. and Mandlik, Prashant R. and Jadhao, Nitin L. and Gajbhiye, Jayant M. and Kumar, Ravi and Vaval, Nayana} } @article {49063, title = {Synthetic layered double hydroxide on biodegradable support: an efficient adsorbent for defluoridation of water}, journal = {Indian Journal of Chemical Technology }, volume = {31}, year = {2024}, month = {JAN}, pages = {152-161}, type = {Article}, abstract = {
Fluoride concentrations in drinking water above permissible levels and incidences of fluorosis among people have been reported from many parts of the world including India. Low-cost and biodegradable adsorbents are the preferred choice for the removal of fluoride from an aqueous medium. In the present study, zinc-aluminium layered double hydroxide (LDH) supported on sugarcane bagasse (raw and acid-treated) has been synthesized, characterized, and investigated for the defluoridation of water. The SEM micrographs of the supported adsorbents show good dispersion of the LDH particles on the support material. The defluoridation capacity of the LDH is enhanced by supporting it on bagasse. The adsorption capacity of supported adsorbents increased by 3-fold than the unsupported LDH adsorbent. The adsorption data have been well fitted to the Freundlich isotherm model indicating physical and multi-layer adsorption. The maximum fluoride adsorption capacity has been found to be 8.85 mg/g with 76.3\% fluoride removal when the initial fluoride concentration is 11-12 mg/L. The pseudo-second-order kinetic model has been found suitable to explain the fluoride adsorption kinetics on the supported LDH adsorbents. The present study reveals that the bagasse-supported LDH adsorbent has a high potential for defluoridation of water.
}, keywords = {adsorption kinetics, Fluoride adsorption, Layered double hydroxide, Sugarcane bagasse}, issn = {0971-457X}, doi = {10.56042/ijct.v31i1.7611}, author = {Mayadevi, S. and Kirandas, M. D. and Manilal, A. M. and Roshini, N. and Mandal, Sujata} } @article {49631, title = {Systemic review on fitness and survival of salmonella in dynamic environment and conceivable ways of its mitigation}, journal = {Indian Journal of Microbiology}, volume = {64}, year = {2024}, month = {JUN}, pages = {267-286}, type = {Review}, abstract = {
Gastroenteritis caused by non-typhoidal Salmonella still prevails resulting in several recent outbreaks affecting many people worldwide. The presence of invasive non-typhoidal Salmonella is exemplified by several characteristic symptoms and their severity relies on prominent risk factors. The persistence of this pathogen can be attributed to its broad host range, complex pathogenicity and virulence and adeptness in survival under challenging conditions inside the host. Moreover, a peculiar aid of the ever-changing climatic conditions grants this organism with remarkable potential to survive within the environment. Abusive use of antibiotics for the treatment of gastroenteritis has led to the emergence of multiple drug resistance, making the infections difficult to treat. This review emphasizes the importance of early detection of Salmonella, along with strategies for accomplishing it, as well as exploring alternative treatment approaches. The exceptional characteristics exhibited by Salmonella, like strategies of infection, persistence, and survival parallelly with multiple drug resistance, make this pathogen a prominent concern to human health.
}, keywords = {Antibiotic resistance, Gastroenteritis, Non-typhoidal Salmonella, pathogenesis, Plant-derived metabolites, Salmonella pathogenicity islands, Type III secretion system}, issn = {0046-8991}, doi = {10.1007/s12088-023-01176-4}, author = {Sutar, Ajit A. and Dashpute, Rohit S. and Shinde, Yashodhara D. and Mukherjee, Srestha and Chowdhury, Chiranjit} } @article {49318, title = {Tailoring helical ends of π-extended [6]heterohelicenes to control optical, and electrochemical features}, journal = {Chemical Communications}, volume = {60}, year = {2024}, month = {OCT }, pages = {11944-11947}, type = {Article}, abstract = {
The inherent helical chirality and improved pi-stacking capabilities endow helicenes with fascinating photophysical characteristics when decorated with lateral pi-extensions. Here, we report the synthesis and physicochemical characterization of expanded hetero[6]helicenes fused with thiadiazole and selenadiazole rings at the helical ends. Comparing these heterohelicenes revealed the impact of the heteroatom-embedded aromatic rings on the excited state and redox features. A small structural variation of the terminal rings from thiadiazole to selenadiazole caused a striking change in the heterohelical nanographenes. The inherent helical chirality and improved pi-stacking capabilities endow helicenes with fascinating photophysical characteristics when decorated with heteroatoms.
}, issn = {1359-7345}, doi = {10.1039/d4cc03707c}, author = {Kumar, Viksit and Dongre, Sangram D. and Venugopal, Geethu and Narayanan, Aswini and Babu, Sukumaran Santhosh} } @article {49653, title = {Tailoring hydrogen evolution reaction with single-atom catalysts on Ti2B MBenes: Insights from computational screening}, journal = {International Journal of Hydrogen Energy}, volume = {77}, year = {2024}, month = {AUG}, pages = {479-485}, type = {Article}, abstract = {
The utilization of single-atom catalysts (SACs) in the context of the Hydrogen Evolution Reaction (HER) holds significant promise for advancing electrocatalysis. Upon implantation or anchoring on two-dimensional (2D) materials, these catalysts exhibit improved stability, selectivity, and reactivity. This study uses density functional theory-based computational techniques to demonstrate the potential of SACs embedded on novel 2D materials, such as MBenes. To assess their HER activity, the transition metals (TMs) are screened as SACs embedded in Ti2B monolayer. Our results indicate that the inclusion of a single TM can finely adjust hydrogen adsorption, resulting in a characteristic volcano-like pattern, and particularly Pd-Ti2B emerges as a standout candidate, with an optimal Gibbs free energy of -0.057 eV. Moreover, Pd-Ti2B exhibits a notable exchange current density of 1.25 x 10(-4) Acm(-2) surpassing that of numerous traditional metal catalysts, including Pt(111), by approximately 105\%. Furthermore, we underscore the electronic characteristics contributing to the extraordinary electrocatalytic activity of a single TM atom encased in Ti2B, viz., Pd-Ti2B, for HER. This study contributes greatly to our understanding of electrocatalytic processes and facilitates the development of potent MBenes-based catalysts for hydrogen evolution.
}, keywords = {electrocatalyst, First-principles study, HER, MBenes, single atom catalyst}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2024.06.141}, author = {Shukla, Aarti} } @article {49186, title = {Taming XeO3 with aza-crowns: computational studies into σ-hole mediated host-guest interactions}, journal = {ChemPhysChem}, volume = {25}, year = {2024}, month = {SEP}, pages = {e202400302}, type = {Article}, abstract = {
Various aza-crowns with different sizes and substituents have been explored computationally as potential hosts for stabilizing the explosive guest xenon trioxide (XeO3) through sigma-hole-mediated aerogen bonding interactions. Interestingly, aza-crowns demonstrate superior binding towards XeO3 compared to their oxygen and thio counterparts. However, unlike the latter cases, where the binding was found to be increasingly favorable with the increase in the size of the crowns, aza-crowns exhibit a variable size preference for XeO3, peaking with aza-15-crown-5, and reducing thereafter with increase in crown size.
}, keywords = {aza-crowns, host-guest systems, noncovalent interactions, sigma (sigma) hole, Xenon}, issn = {1439-4235}, doi = {10.1002/cphc.202400302}, author = {Dash, Soumya Ranjan and Vanka, Kumar} } @article {49388, title = {Temperature-controlled hydrothermal synthesis of α-MnO2 nanorods for catalytic oxidation of cyclohexanone}, journal = {CHEMPLUSCHEM}, volume = {89}, year = {2024}, month = {JUL}, type = {Journal Article}, keywords = {Adipic Acid, conversion, MANGANESE OXIDES}, issn = {2192-6506}, doi = {10.1002/cplu.202300589}, author = {Jha, Ratnesh Kumar and Manikandan, Marimuthu and Prabu, Marimuthu and Vineeth, Nidhi R. and Dharmalingam, Praveen and Archana, Ramakrishnan and Harsha, Murudappa and Shankar, Sonu Ram and Bhatte, Kushal and Raja, Thirumalaiswamy} } @article {49356, title = {Temperature-programmed reduction method for stabilization of the inorganic framework of SAPO-37 materials: promising catalysts for MTBE production}, journal = {Chemical Communications}, volume = {60}, year = {2024}, month = {AUG}, type = {Article}, abstract = {
A temperature-programmed reduction method was developed to stabilize SAPO-37 and molybdenum-(oxy)-carbide-loaded SAPO-37 (SAP-37MoCR). The inorganic framework (Faujasite type SAPO-37) was retained for the first time even after treatment at 550 degrees C and was confirmed through powder XRD and SEM analysis. SAP-37MoCR exhibits strong acidic sites and is a promising catalyst for MTBE synthesis. Furthermore, the catalyst is stable and recyclable. Temperature-programmed reduction (TPR) is a new method of stabilising inorganic framework materials, viz., SAPO-37-type zeolite. The template could be converted into intermediate carbide species with metal ions.
}, issn = {1359-7345}, doi = {10.1039/d4cc01839g}, author = {Shabana, K. Khadheejath and Narendranath, Soumya B. and Nimisha, N. P. and Venkatesha, N. J. and Sheetal, G. and Sakthivel, A.} } @article {49390, title = {Template-asisted visible light-induced [2+2] photodimerization in a pseudopolymorphic binary solid: topotactic transformation vs photoinduced crystal melting}, journal = {CRYSTAL GROWTH \& DESIGN}, volume = {24}, year = {2024}, month = {MAY }, pages = {5193-5199}, type = {Journal Article}, keywords = {CATION-PI INTERACTIONS, SINGLE-CRYSTAL, STATE PHOTODIMERIZATION, Supramolecular}, issn = {1528-7483}, doi = {10.1021/acs.cgd.4c00426}, author = {Ahsan, Mollah Rohan and Varma, Harshit and Mishra, Manish Kumar and Mukherjee, Arijit} } @article {49339, title = {Tensile nanostructured hierarchically porous non-precious transition metal-based electrocatalyst for durable anion exchange membrane-based water electrolysis}, journal = {Journal of Colloid and Interface Science}, volume = {664}, year = {2024}, month = {JUN }, pages = {389-399}, type = {Article}, abstract = {
Electrochemical water electrolysis is a promising method for sustainable hydrogen production while transiting towards hydrogen economy. Among many, the Anion Exchange Membrane (AEM) based water electrolyzer is an emerging yet potentially affordable technology on maturity for producing large-scale hydrogen accommodating the usage of Non-Platinum Group Metal (non-PGM) based inexpensive electrocatalysts. Herein, we demonstrate the excellent performance of a bifunctional Nickel Copper Phosphide-Nickel sulphide (NCP-NS) electrocatalyst with a unique tensile nanostructure obtained via a facile, controlled ambient galvanic displacement route. An AEM electrolyzer with a larger active area of 10 cm(2) stacked with the symmetric NCP-NS electrodes and a membrane demonstrates scalability with a requirement of a mere 1.66 V to reach a current density of 10 mA cm(-2). The nickel-copper phosphide boosts the kinetics of charge transfer between the electrode and electrolyte interface, while a unique combination of a few nickel sulphide phases present in the catalyst provides sufficiently appropriate active sites for the overall water electrolysis. For the first time, we report a room temperature performance of similar to 230 mA cm(-2) at 2 V for a non-PGM-based bifunctional electrocatalyst with exceptional durability for over 300 h of operation in an AEM water electrolyser with a retention rate of 95 \%-97 \% at a current density range of 80-800 mA cm(-2).
}, keywords = {AEM electrolyzer, Bifunctionality, Electrodeposition, Non-PGM based Electrocatalyst, stability}, issn = {0021-9797}, doi = {10.1016/j.jcis.2024.02.170}, author = {Singh, Kailash and Selvaraj, Kaliaperumal} } @article {49335, title = {Thermally stable P-chiral supramolecular phosphines, their self-assembly and implication in Rh-catalyzed asymmetric hydrogenation}, journal = {Chemistry-A European Journal}, volume = {30}, year = {2024}, month = {AUG }, type = {Article}, abstract = {
P-chiral supramolecular phosphine ligands are crucial for asymmetric transformations, but their synthesis is tedious. We report a one-step synthesis of thermally stable P-chiral supramolecular phosphines and their performance in the asymmetric hydrogenation of functionalized alkenes. A rational designing and synthesis of (R, R)-QuinoxP* ligated palladium complex (Pd-2) in excellent yield is reported. This Pd-2 catalyzed a direct P-C coupling of 2,3-dihydro-1-H-phosphindole (A1)/1,2,3,4-tetrahydrophosphindoline (A2) with 1-(3-iodophenyl)urea (B1)/2-iodo /6-hydroxy pyridine (B2) and,produced corresponding ligands L1-L3. The P-C coupling between A1 and B2 produced 6-(2,3-dihydro-1H-phosphindol-1-yl)pyridine-2(1H)-one (L2) with an excellent enantiomeric excess of up to 99 \%. L2 was found to be remarkably stable even at 150 degrees C and did not oxidize/hydrolyze for at least 24 hours in open air. Such thermal stability and an impediment to oxidation are unprecedented. L2 self-assembled and produced L2-C1 (Pt), L2-C2(Pd), and L2-C3(Rh) assemblies. The utility of the self-assembled P-chiral ligand was demonstrated in the Rh-catalyzed asymmetric hydrogenation (AH) of functionalized olefins. The L2-C3 catalyzed AH of functionalized alkenes and delivered chiral products with excellent enantioselectivity of \>99 \%. A small library of 16 substrates was subjected to AH using L2-C3 to produce chiral compounds with excellent conversion and ee.
}, keywords = {asymmetric hydrogenation, Asymmetric phosphination, P-chiral phosphine, Self-assembly, Supramolecular phosphine}, issn = {0947-6539}, doi = {10.1002/chem.202401077}, author = {Chandanshive, Amol C. and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {49229, title = {Thin, flat sheet, solvent-stable ABPBI-based membranes for organic solvent forward osmosis (OSFO)}, journal = {Journal of Membrane Science}, volume = {708}, year = {2024}, month = {AUG}, pages = {123090}, type = {Article}, abstract = {
The work demonstrates poly(2,5-benzimidazole), commonly known as ABPBI, based thin, solvent-stable, scalable flat sheet membranes for organic solvent forward osmosis (OSFO). The membranes treated at 60 and 350 degrees C were analyzed for OSFO using solvents of industrial significance (methanol, ethanol, acetonitrile, N,N-dime- thylformamide, and dimethyl sulphoxide). Although LiCl could be employed as a draw solute with methanol as a solvent, its insolubility in other organic solvents led to the use of a new, simple-to-synthesize acid-base salt, viz., triethylammonium benzoate (TB). A study on the effects of membrane treatment temperature on solvent flux, reverse salt flux (RSF), ability to use TB as draw solute with other solvents, long-duration analysis, and use of model organic compounds in the feed side led to an understanding of the applicability of present thin, scalable ABPBI membranes for OSFO. Although membranes treated at 350 degrees C possessed a lower methanol flux than those treated at 60 degrees C, the lowering in its RSF was highly attractive. TB, having a larger molecular size than LiCl, led to a slight reduction in methanol flux and a considerable reduction in RSF. With TB, extremely low RSF was observed with the chosen solvents. The long-duration study using MeOH and acetonitrile was investigated. A complete rejection of all model organic compounds of varying molecular weights and chemical functionality indicated the merits of the present thin, scalable ABPBI membranes for practical applications of OSFO.
}, keywords = {ABPBI, Free -standing thin membrane, Model organic compounds, OSFO, Triethylammonium benzoate}, issn = {0376-7388}, doi = {10.1016/j.memsci.2024.123090}, author = {Nitin, M. Thorat and Suresh, V. Valvi and Ashish, K. Lele and Ulhas, K. Kharul} } @article {49039, title = {Thiol-ene-based degradable 3D printed network from bio resource derived monomers ethyl-lactate and isosorbide}, journal = {European Polymer Journal}, volume = {205}, year = {2024}, month = {FEB }, type = {Article}, abstract = {
A polymeric ene-based thiol-ene network is reported that was demonstrated for light-based 3D printing. Allyl poly (acrylate ethyl lactate) (PAEL) was synthesized starting from ethyl lactate in an efficient and scalable manner. Ethyl lactate is a biobased material obtained naturally or chemically in high yields in the form of ethyl ester of lactic acid. Isosorbide, which is also a bio based resource was converted into thiol derivative and was used along with Pentaerythritol tetrakis(3-mercaptopropionate) (PETMP) as multifunctional thiol. The polymeric nature of the ene (i.e. PAEL) imparted exceptionally high mechanical properties like Young{\textquoteright}s modulus of 1.75 GPa as well as high thermal stability with a decomposition temperature (Td,10\%) exceeding 350 C for all the networks studied. The properties could also be customized by fine tuning the type and stoichiometric ratio of the thiol crosslinked employed. For instance, the Young{\textquoteright}s modulus range from 1.75 GPa to 1.03 GPa and glass transition temperature range from 44 C to 54 C could be achieved. DLP 3D printing was used to demonstrate the printability of the resins with high resolution and structural fidelity. The study also highlights the basemediated rapid hydrolytic degradation efficiency of the 3D printed parts, demonstrating the applicability of these novel polymeric ene based thiol-ene for sustainable and eco-friendly 3D printable formulations.
}, keywords = {3D printing, Degradation, digital light processing, Poly (acrylate ethyl lactate), Thiol-ene}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2024.112761}, author = {Pal, Shibam and Asha, S. K.} } @article {49217, title = {TiO2 spaghetti for sustainable future}, journal = {Matter}, volume = {7}, year = {2024}, month = {AUG }, type = {Editorial Material}, abstract = {
TiO2 is widely utilized in applications ranging from paints to solar cells. Recent advancements in synthesizing nano-TiO2 by Badr, Barsoum, et al. have enabled its production at low cost and large scale. These nanostructures, comprising 1D lepidocrocite nanofilaments, show promise in enhancing solar water splitting and several other applications.
}, issn = {2590-2393}, doi = {10.1016/j.matt.2024.06.015}, author = {Rathod, Yugal and Natu, Varun} } @article {49082, title = {Total synthesis and revision of stereochemistry of a natural benzo[g]isochromene stereodiad isolated from rubia philippinensis}, journal = {Organic Letters}, volume = {26}, year = {2024}, month = {MAR }, pages = {2574-2579}, type = {Article}, abstract = {
This study presents a total synthesis and revision of the stereochemical configuration of the conformationally flexible natural product benzo[g]isochromene stereodiad alongside its diastereomeric counterparts. The highlights of the synthesis are the TiCl4-mediated diastereoselective aldol reaction, Pd-catalyzed lactonization, and Schmidt glycosidation. Our efforts using total synthesis disclosed herein proved that a previously assigned structure required revision.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.4c00553}, author = {Choudhury, Rahul and Miriyala, Satya Ravi Teja and Resmi, K. R. and Sridhar, Balasubramanian and Kasa, S. R. Krishna Murthy and Reddy, D. Srinivasa} } @article {49290, title = {Total synthesis of (-) and (+)-zingibergingerols A}, journal = {Journal of Organic Chemistry}, volume = {89}, year = {2024}, month = {OCT }, pages = {16923-16928}, type = {Article}, abstract = {
The first total synthesis of both of the enantiomers of Zingibergingerol A has been accomplished. The distinctive 3,7,9-trioxabicyclo[4.2.1]nonane skeleton is crafted through gold-catalyzed alkynol cycloisomerization. The synthesis comprises sequential C-C bond formations at both ends of epichlorohydrin: first opening the epoxide with eugenol-derived alkyne, followed by subsequent epoxide installation, and again opening with a Grignard reagent. The resulting alkynol with a fixed C5 stereochemistry was subjected to O-allylation, followed by dihydroxylation and alkynol cycloisomerization.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c01649}, author = {Shet, Manoj N. and Ramana, Chepuri V.} } @article {49030, title = {Transcriptome analysis and Structure-Based drug discovery identifies potential biofungicides for controlling Fusarium wilt in chickpea}, journal = {Journal of Molecular Liquids}, volume = {399}, year = {2024}, month = {APR }, type = {Article}, abstract = {
Fusarium wilt caused by the fungal pathogen Fusarium oxysporum f.sp. ciceri (Foc) is a devastating chickpea disease. Foc is a soil-borne pathogen that invades plants through roots and can kill them in three to four weeks. Although Fusarium wilt can be controlled by soil solarization or fumigation with chemical fungicides, these are not always effective. Soil fumigation is also hazardous to the beneficial soil microflora, deteriorates soil health, and causes pollution. Hence, there is an urgent need to identify potent and environment-friendly biofungicides to control fungal pathogens. We employed transcriptome analysis and structure-based drug discovery approaches to identify potential biofungicides from four widely used medicinal plants: Lantana camara, Piper betel, Ricinus communis, and Azadirachta indica. Fusarium wilt-resistant and susceptible chickpea varieties were pathogeninoculated and grown under controlled conditions in a greenhouse. Transcriptome analysis was performed to identify pathogenicity-related differentially expressed genes (DEGs). Over 600 phytochemicals from the four medicinal plants and four chemical fungicides were considered for molecular docking against the predicted protein structures of the four most expressed pathogen DEGs. The phytochemicals with the best docking scores and the lowest predicted toxicity risk were considered for molecular dynamics (MD) simulation at 100 ns timescale, and 15 potential biofungicides were identified. This study paves the way for developing biofungicides with enhanced efficacy and safety to manage Fusarium wilt in chickpea.
}, keywords = {Antifungal molecules, Cicer arietinum, fusarium oxysporum, MD Simulation, medicinal plants, Molecular docking}, issn = {0167-7322}, doi = {10.1016/j.molliq.2024.124364}, author = {Sahoo, Rosaleen and Kadoo, Narendra} } @article {49054, title = {Transfer semi-hydrogenation of terminal alkynes with a well-defined iron complex}, journal = {Dalton Transaction}, volume = {53}, year = {2024}, month = {FEB }, pages = {3484-3489}, type = {Article}, abstract = {
The synthesis and characterization of a bis-iron(ii) complex was accomplished upon treatment of a phosphine free NNN-pincer ligand (L) with FeCl2 center dot 4H2O under ambient conditions. The deep greenish colored iron(ii) complex (Fe-1) was characterized by a single-crystal X-ray diffraction study along with IR spectroscopy, UV-Vis spectroscopy, mass spectrometry, and elemental analysis. The Fe-1 complex was tested for the transfer semi-hydrogenation of terminal alkynes to the corresponding alkenes through the dehydrogenation of dimethyl amine-borane. This procedure enables the conversion of various structurally different terminal alkynes to alkenes under mild conditions. Control experiments were performed to shed light on the possible intermediates generated during the present protocol. A bench stable iron(ii) complex with the pincer ligand backbone was synthesized and characterized. The well-defined iron complex was successfully utilized for the dehydrogenation of DMAB and subsequent transfer semi-hydrogenation of terminal alkynes.
}, issn = {1477-9226}, doi = {10.1039/d3dt03248e}, author = {Chowdhury, Deep and Goswami, Souvik and Krishna, Gamidi Rama and Mukherjee, Arup} } @article {49195, title = {Transient Electro-Graphitization of MOFs Affecting the Crystallization of Ruthenium Nanoclusters for Highly Efficient Hydrogen Evolution}, journal = {ADVANCED FUNCTIONAL MATERIALS}, volume = {34}, year = {2024}, month = {AUG}, type = {Journal Article}, keywords = {amorphous ruthenium, crystallization control, graphitic nanostructure}, issn = {1616-301X}, doi = {10.1002/adfm.202315460}, author = {Karim, Golam Masud and Patra, Amalika and Deb, Sujit Kumar and Upadhya, Hemanta and Das, Snehasish and Mukherjee, Priyam and Ahmad, Waleed and Barman, Narad and Thapa, Ranjit and Dambhare, V, Neha and Rath, Arup Kumar and Das, Jaysri and Manna, Uttam and Urkude, Rajashri R. and Oh, Youngtak and Maiti, Uday Narayan} } @article {49213, title = {Trapping an elusive Fe(IV)-superoxo intermediate inside a self-assembled nanocage in water at room temperature}, journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, volume = {146}, year = {2024}, month = {JUL }, pages = {21729-21741}, type = {Journal Article}, keywords = {CATALYTIC EPOXIDATION, DIOXYGEN ACTIVATION, NONHEME IRON, X-RAY-ABSORPTION}, issn = {0002-7863}, doi = {10.1021/jacs.4c05849}, author = {Gera, Rahul and De, Puja and Singh, Kundan K. and Jannuzzi, Sergio A. V. and Mohanty, Aisworika and Velasco, Lucia and Kumar, Pankaj and Marco, J. F. and Nagarajan, Kalaivanan and Pecharroman, Carlos and Rodriguez-Pascual, P. M. and DeBBeer, Serena and Moonshiram, Dooshaye and Gupta, Sayam Sen and Dasgupta, Jyotishman} } @article {49242, title = {Trehalase inhibition in Helicoverpa armigera activates machinery for alternate energy acquisition}, journal = {JOURNAL OF BIOSCIENCES}, volume = {49}, year = {2024}, month = {JUL }, pages = {74}, type = {Journal Article}, keywords = {Energy metabolism, glucose, Metabolomics, Transcriptomics, trehalase, validamycin A}, issn = {0250-5991}, doi = {10.1007/s12038-024-00453-8}, author = {Tellis, Meenakshi and Mohite, Sharada and Joshi, Rakesh} } @article {49283, title = {Triazatruxene amine donor-based visible-light-responsive unsymmetrical squaraine dyes for dye-sensitized solar cells}, journal = {ACS Applied Energy Materials}, volume = {7}, year = {2024}, month = {SEP}, pages = {7982-7991}, type = {Article}, abstract = {
Optimized charge-transfer dynamics at the dye-TiO2/electrolyte interface are required for an enhanced dye-sensitized solar cell (DSSC) device performance. Such an optimized interface enhances the charge-injection, dye-regeneration, and diminished charge-recombination processes, synergistically enhancing the device efficiency. In this study, octupolar-structured sensitizers are designed to improve the interaction between the dye and the redox electrolyte for increasing the dye-regeneration process upon photoexcitation. Accordingly, a set of unsymmetrical squaraine dyes with indoline and triazatruxene amine donor-based D-A-D dyes are designed (KV1-KV3), synthesized, and sensitized with a semiconducting metal oxide (TiO2) film. The sensitizer forms a monolayer on the TiO2 surface, leading to a dye-dye interaction, which broadens the absorption spectrum. The N atom of the triazatruxene amine donor was left unsubstituted in KV1, whereas a hexyl chain was installed in KV2 and KV3 and a branched alkyl chain was installed on the core N atoms in KV3 to control the self-assembly of dyes on the TiO2 surface. Self-assembly of alkyl groups wrapped in KV1-KV3 dyes on the TiO2 surface aids surface passivation and broadens the absorption profile, improving the light-harvesting capabilities. The DSSC devices based on KV2 exhibited a high power conversion efficiency of 7.85\% (V-oc = 794 mV, J(sc) = 14.76 mA/cm(2), and FF = 67\%), with an onset incident photon-to-current conversion efficiency response from 680 nm.
}, keywords = {aggregationof dyes, Dye-sensitized solar cells, metal-free organic dyes, self-assembly of dye, squaraine dyes, triazatruxene}, issn = {2574-0962}, doi = {10.1021/acsaem.4c01591}, author = {Ingole, Kiran Balaso and Deshmukh, Shivdeep Suresh and Verma, Tushar Singh and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {49027, title = {Tridentate NacNac tames T-shaped nickel(I) radical}, journal = {Chemistry- a european journal}, volume = {30}, year = {2024}, month = {FEB}, type = {Article}, abstract = {
The reaction of a nickel(II) chloride complex containing a tridentate beta-diketiminato ligand with a picolyl group [2,6-iPr2-C6H3NC(Me)CHC(Me)NH(CH2py)]Ni(II)Cl (1)] with KSi(SiMe3)3 conveniently afforded a nickel(I) radical with a T-shaped geometry (2). The compound{\textquoteright}s metalloradical nature was confirmed through electron paramagnetic resonance (EPR) studies and its reaction with TEMPO, resulting in the formation of a highly unusual three-membered nickeloxaziridine complex (3). When reacted with disulfide and diselenide, the S-S and Se-Se bonds were cleaved, and a coupled product was formed through carbon atom of the pyridine-imine group. The nickel(I) radical activates dihydrogen at room temperature and atmospheric pressure to give the monomeric nickel hydride. A thermally stable, T-shaped, nickel(I) radical was straightforward obtained by reduction of a tridentate nacnac nickel(II) chloride with KSi(TMS)3. The metalloradical character of the compound was demonstrated by the formation of a highly unusual nickeloxaziridine complex upon addition of TEMPO. The Ni(I) species displays a rich chemistry towards activation S-S, and Se-Se bond leading to unusual C-C coupled product as well as dihydrogen activation at room temperature and atmospheric pressure to generate monomeric nickel hydride.+image
}, keywords = {C-C Bond formation, Hydrogen Activation, Metalloradical, Nickel, Tridentate nacnac}, issn = {0947-6539}, doi = {10.1002/chem.202303957}, author = {Pahar, Sanjukta and Sharma, Vishal and Raj, K. Vipin and Sangole, Mayur P. and George, Christy P. and Singh, Kirandeep and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {48999, title = {Tuning the optical properties of Ln3+-doped-Y2O3@ZnO@Au core-shell heterostructures for visible-to-NIR photon harvesting}, journal = {Surfaces and Interfaces }, volume = {44}, year = {2024}, month = {JAN}, type = {Article}, abstract = {
Here, compact Yb3+-Er3+-Tm3+ doped Y2O3 phosphor microspheres were synthesized by solvothermal method which gave emission in the entire visible region under 980 nm excitation. The effect of doping alkali ions like lithium on the upconversion emission of YYET phosphors is investigated. An epitaxial layer of ZnO is grown around the YYETL (Li+ doped YYET) microspheres by hydrothermal technique. An analysis of the influence of the ZnO shell thickness on the upconversion emission of core microspheres is done. Initial growth of a thin layer of ZnO on the YYETL microspheres causes enhancement in upconversion emission due to passivation of surface defects of core microspheres. Quenching of anti-Stokes emission occurs for thicker ZnO shell coating. Further, it is decorated with AuNPs to study the effect of plasmonics on the optical property of the developed heterostructure. The overlap between the upconversion emission spectra of core microspheres and the LSPR peak of AuNPs modulates the property of the entire structure. The optimized samples were checked for photocatalytic application by degradation of Rh6G dye under solar irradiation. YYETL@ZnO@Au core-shell samples exhibited highest rate constant of 0.00395 min(-1), which is attributed to better exploitation of the UV-Vis-NIR region of the solar spectrum by all three components of the heterostructure.
}, keywords = {AuNPs, Core-shell heterostructure, LRET, Photocatalysis, Upconversion microspheres, ZnO}, issn = {2468-0230}, doi = {10.1016/j.surfin.2023.103775}, author = {Jayswal, Shefali and Luwang, Meitram Niraj and Moirangthem, Rakesh S.} } @article {49392, title = {{\textquoteleft}Turning on{\textquoteright} to glutathione: a rhodamine-based fluorescent chemodosimeter with nanomolar sensitivity}, journal = {ChemistrySelect}, volume = {9}, year = {2024}, month = {OCT}, pages = {e202402943}, type = {Article}, abstract = {
A new colorimetric and fluorescence turn-on chemodosimeter for selective detection of GSH over Cys and Hcy with 34-fold enhancement in emission intensity is reported. Probe 1 exhibited ultra-sensitivity toward GSH with 0.125 nM detection limit and successfully displayed GSH detection in MCF-7 live cells. The mechanism of sensing is established by density functional theoretical calculations.
}, keywords = {Chemodosimeter, Fluorescence turn-on, GSH, MCF-7 cells, Rhodamine}, issn = {2365-6549}, doi = {10.1002/slct.202402943}, author = {Badekar, Pooja S. and Deo, Harshada S. and Varma, Mokshada E. and Kulkarni, Prasad P. and Maibam, Ashakiran and Krishnamurty, Sailaja and Kumbhar, Anupa A.} } @article {49247, title = {Tyramine-mediated hyperactivity modulates the dietary habits in Helicoverpa armigera}, journal = {JOURNAL OF CHEMICAL ECOLOGY}, volume = {50}, year = {2024}, month = {OCT}, pages = {453-464}, type = {Journal Article}, keywords = {amines, Behavior, dopamine, octopamine, RECEPTOR, sensitivity, SULFAKININ}, issn = {0098-0331}, doi = {10.1007/s10886-024-01515-9}, author = {Patil, Yogita P. and Gawari, Shyam K. and Barvkar, Vitthal T. and Joshi, Rakesh S.} } @article {49081, title = {Ultralight crystalline hybrid composite material for highly efficient sequestration of radioiodine}, journal = {Nature Communications }, volume = {15}, year = {2024}, month = {FEB }, type = {Article}, abstract = {
Considering the importance of sustainable nuclear energy, effective management of radioactive nuclear waste, such as sequestration of radioiodine has inflicted a significant research attention in recent years. Despite the fact that materials have been reported for the adsorption of iodine, development of effective adsorbent with significantly improved segregation properties for widespread practical applications still remain exceedingly difficult due to lack of proper design strategies. Herein, utilizing unique hybridization synthetic strategy, a composite crystalline aerogel material has been fabricated by covalent stepping of an amino-functionalized stable cationic discrete metal-organic polyhedra with dual-pore containing imine-functionalized covalent organic framework. The ultralight hybrid composite exhibits large surface area with hierarchical macro-micro porosity and multifunctional binding sites, which collectively interact with iodine. The developed nano-adsorbent demonstrate ultrahigh vapor and aqueous-phase iodine adsorption capacities of 9.98 g.g-1 and 4.74 g.g-1, respectively, in static conditions with fast adsorption kinetics, high retention efficiency, reusability and recovery. The development of effective adsorbents of radioiodine nuclear waste remains difficult due to the lack of proper material design strategies. Here the authors report an ultralight hierarchically porous crystalline multifunctional hybrid nanocomposite for ultrafast entrapment of iodine and polyiodide species under both static and dynamic condition.
}, doi = {10.1038/s41467-024-45581-9}, author = {Fajal, Sahel and Mandal, Writakshi and Torris, Arun and Majumder, Dipanjan and Let, Sumanta and Sen, Arunabha and Kanheerampockil, Fayis and Shirolkar, Mandar M. and Ghosh, Sujit K.} } @article {49350, title = {Ultra-small Au nanoclusters with tailored photoluminescence properties using modified thiol ligands: a computational and experimental demonstration}, journal = {Particle \& Particle Systems Characterization}, volume = {41}, year = {2024}, month = {OCT}, type = {Article}, abstract = {
Au nanoclusters with tailored photoluminescence can be obtained through controlled nanoparticle ligand interface chemistry. The present work reports molecular gold nanoclusters with tuneable photoluminescence emission from 600 to 700 nm using N,N {\textquoteleft},N {\textquoteleft}{\textquoteright}-trialkyl (11-mercaptoundecyl)ammonium chloride ligands as capping-agents. The tunability within red spectral region is regulated through specific interface chemistry between gold nanoclusters of molecular range and functional groups of the quaternary ammonium head over N,N {\textquoteleft},N {\textquoteleft}{\textquoteright}-trialkyl(11-mercaptoundecyl)ammonium chloride. Combined understanding obtained from the spectroscopy, microscopy, and density functional theory studies demonstrate that the functional group specific electronic interactions at the interfaces steer the emission characteristics of {\textquoteleft}{\textquoteleft}molecular{\textquoteright}{\textquoteright} Au nanoparticles. The study clearly identifies that bulkier functional groups, i.e., triethyl, tripropyl, tributyl, and dimethyl benzene over N+ (of thiol ligand) through their steric effects minimize the particle size giving rise to tunable photoluminescence emission in red spectral region. However, the red shift seen in the emission Au nanoclusters with N-(11-mercaptoundecyl)-N,N {\textquoteleft}-dimethylbenzenammonium chloride ligand in contradiction to particle size effect is computationally proved to be due to the delocalization of electron density from benzene aromatic ring to N+ of ammonium head leading to a reduction in the HOMO-LUMO energy gap. Fluorescence properties of water dispersible Au nanoclusters are tuned by varying the ammonium head group. Density Functional Theory studies correlate the distinction in emission when head group is phenyl to charge transfer characteristics. image
}, keywords = {Density functional theory, photoluminescent Au nanoclusters, surface plasmon resonance, thiol ligand}, issn = {0934-0866}, doi = {10.1002/ppsc.202400011}, author = {Chahande, Anurag M. and Maibam, Ashakiran and Krishnamurty, Sailaja and Devi, R. Nandini} } @article {49090, title = {Ultrasound-assisted ionic liquid-mediated green method for synthesis of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidines, their anti-tubercular activity, molecular docking study and ADME predictions}, journal = {New Journal of Chemistry}, volume = {48}, year = {2024}, month = {JUN }, pages = {9970-9980}, type = {Article}, abstract = {
The aim of the study is to develop the synthesis of a novel series of potent anti-tubercular (anti-TB) activity of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidine derivatives via an efficient green approach achieved by using an ionic liquid ([Bmim]BF4) under ultrasonication. The title compounds 4a-4ad with a general molecular formula CaHbX(0-2)NcOd (X = F/Cl/Br) were produced with high yields in shorter reaction time and well characterized by using spectral techniques; and finally single crystal X-ray diffraction method (4b). The newly synthesized compounds were evaluated for their in vitro anti-TB activity against Mycobacterium tuberculosis H37Rv strain. Among all, six compounds 4e (C36H29N5O4), 4g (C34H28N4O3), 4q (C36H28F2N4O2), 4r (C36H28ClFN4O2), 4y (C36H29BrN4O2) and 4z (C36H28BrFN4O2) exhibited significant anti-TB activity with MIC value 6.25 mu g mL-1, when compared to the standard drug ethambutol (MIC:1.56 mu g mL-1). In silico molecular docking studies were performed against M. tuberculosis enoyl-acyl carrier protein reductase inhibitor. The compounds 4o, 4p, 4y and 4aa were exhibited least binding energies -12.58, -12.61, -12.58 and -12.57 kcal mol-1, respectively. These results reveal that the produced compounds might be used for the future generation of novel anti-TB drugs. The study aims to develop and synthesis of a novel series of 1,3-diphenylpyrazole-based spirooxindolopyrrolizidine derivatives as potent anti-TB agents via an efficient green approach by using an ionic liquid ([Bmim]BF4) under ultrasonication.
}, issn = {1144-0546}, doi = {10.1039/d4nj00563e}, author = {Baddepuri, Sravanthi and Gamidi, Rama Krishna and Kumari, Jyothi and Sriram, Dharmarajan and Basavoju, Srinivas} } @article {49437, title = {Unconventional hole doping of S = {\textonehalf} kagome antiferromagnet CoCu3(OH)6Cl2}, journal = {Advanced Physics Research}, volume = {3}, year = {2024}, month = {SEP}, type = {Article}, abstract = {
Geometrically perfect S = {\textonehalf} kagome lattices with frustrated magnetism are typically electrical insulators. Electron or hole doping is predicted to induce an exotic conducting state including superconductivity. Herein, an unconventional strategy of doping an S = {\textonehalf} kagome lattice CoCu3(OH)6Cl2\ is adopted {\textendash} a structural analogue of a well-known quantum spin liquid (QSL) candidate herbertsmithite (ZnCu3(OH)6Cl2) {\textendash} by integrating it with reduced graphene oxide (rGO) via in situ redox chemistry. Such an integration drastically enhances the electrical conductivity, resulting in the transformation of an insulator to a semiconductor, corroborating the respective density of states obtained from the density functional theory calculations. Estimation of the magnetic moments, data on the Hall-effect measurements, Bader charge analysis, and photoemission signals, altogether provide a bold signature of remote hole doping in CoCu3(OH)6Cl2\ by rGO. The remote doping provides an alternative to the site doping approach to impart exotic electronic properties in spin liquid candidates, specifically, the generation of topological states like Dirac metal is envisioned.
}, doi = {https://doi.org/10.1002/apxr.202400037}, author = {Mandal, Rimpa and Ninawe, Pranay and Ananthram, K. S. and Mhase, Akash and Gupta, Kriti and Saha, Sauvik and Ugale, Ajay and Singh, Kirandeep and Tarafder, Kartick and Ballav, Nirmalya} } @article {49279, title = {Uncovering diverse reactivity of NHCs withdiazoalkane: C-H activation, C=C bond formation,and access to N-heterocyclic methylenehydrazine}, journal = {Chemical Science}, volume = {15}, year = {2024}, month = {NOV}, pages = {18387-18394}, type = {Article}, abstract = {
N-heterocyclic carbenes (NHCs) have attracted significant attention due to their strong sigma-donating capabilities, as well as their transition-metal-like reactivity towards small molecules. However, their interaction with diazoalkanes remains understudied. In this manuscript, we explore the reactivity of a series of stable carbenes, encompassing a wide range of electronic properties, with Me3SiCHN2. 5-SIPr activates the C-H bond of Me3SiCHN2, resulting in the formation of a novel diazo derivative (1), while carbenes such as 5-IPr, 6-SIPr, and diamido carbene yield N-heterocyclic methylenehydrazine derivatives (3, 4, and 8). The reaction of Me3SiCHN2 with 5-ItBu unexpectedly leads to the formation of a triazole ring linked with the imidazole moiety via a CC double bond (6) alongside the azine product (7). Substituting the diazoalkane with diazoester consistently yields azine derivatives (9-12 and 14). Only in the case of 5-ItBu, an imidazolium salt with tetrazenide anion (13) was obtained as a side product. The reaction of 4 with HCl resulted in the desilylprotonation to form a salt, 5a, which undergoes deprotonation upon using bases such as Et3N and KHMDS to form N-heterocyclic methylene hydrazine, 5. Theoretical calculations have been conducted to elucidate the diverse mechanisms underlying product formation.
}, issn = {2041-6520}, doi = {10.1039/d4sc05740f}, author = {Balayan, Kajal and Sharma, Himanshu and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {49232, title = {Understanding in-vivo refolding of antibody fragments (Fab): Biosimilar Ranibizumab a case study}, journal = {PROCESS BIOCHEMISTRY}, volume = {146}, year = {2024}, month = {NOV}, pages = {484-497}, type = {Journal Article}, keywords = {CHERICHIA-COLI STRAINS, Disulfide bond formation, SOLUBLE RECOMBINANT PROTEINSES}, issn = {1359-5113}, doi = {10.1016/j.procbio.2024.09.027}, author = {Tungekar, Aatir A. and Fulewar, Padmaja and Kumthekar, Rupali and Bhambure, Rahul} } @article {49013, title = {Understanding the effects of physical properties of composite drop on its formation dynamics in presence of interfacial mass transfer}, journal = {Industrial and Engineering Chemistry Research}, volume = {63}, year = {2024}, month = {APR }, pages = {8430-8449}, type = {Article}, abstract = {
Dynamics of drop formation is studied in presence of interfacial mass transfer through controlled flow visualization experiments and lumped force balance based model. Experiments were conducted using eight different combinations of ternary systems, involving variations in initial composition and physical properties of drop phase over a broad range. A new image analysis method is reported to accurately measure the size of deformed, nonaxisymmetric drops. Based on flow visualization and analysis of drop shape, four modes of drop formation are identified, including (i) mass transfer free mode, (ii) interfacial instability mode (Marangoni effects), (iii) dripping, and (iv) jetting, with progressively increasing solute concentrations. Exceptions to these modes are observed for tetrahydrofuran-toluene and tetrahydrofuran-benzene mixtures, in which the drop remains in mass transfer free mode even in presence of higher solute concentrations. Model predictions of real time change in drop volume show excellent match with experimental results for all of the systems under study. The analysis of force balance implies that the interplay between (i) surface tension force and (ii) the combination of buoyancy and force due to kinetic energy controls the drop detachment time as well as the final drop volume. Therefore, for identical operating conditions, transition in drop formation time occurs from 4 s to 65 ms, depending on the density difference and interfacial tension between contacting phases. The present findings provide detailed insights into the formation dynamics of composite drops, which are commonly encountered in liquid-liquid extraction and various multiphase operations.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.4c00623}, author = {Khan, Muzammilanwar S. and Kulkarni, Amol A.} } @article {49109, title = {Unlocking the genetic and biotechnological potential of Gloriosa superba to enhance its alkaloid production}, journal = {Industrial Crops and Products}, volume = {211}, year = {2024}, month = {MAY}, pages = {118144}, type = {Article}, abstract = {
Gloriosa superba is a medicinally important plant that produces the pharmaceutically precious colchicine molecule. Colchicine is being used for treating gout, for enhancing the production of interleukin-8 (inhibits human pancreatic cancer) and many other human ailments. Since its seeds and rhizomes (tuberous roots) are the chief sources of colchicine, pharmaceutical industries exploit the natural sources, thus demolishing its habitat. Chemo- and genetic diversity among the G. superba populations exist, but has not been exploited profitably. Scope exists for generating mutants using the chemical mutagens and also via breeding methods to generate superior varieties for commercial cultivation. Innovative methods for breaking seed dormancy and superior colchicine extraction, besides biotechnological interventions are imperative to save the biodiversity and to produce colchicine on a large scale. Biorhizomes produced in vitro hold great promise for biomanufacturing colchicine in bioreactors commercially. Since the biosynthetic pathway of colchicine is now known, isolation of the pathway genes and their heterologous overexpression or the application of synthetic biology methods needs to be explored in future for industrial manufacturing of colchicine. Advances made in the recent past in these fields of colchicine production from G. superba are critically evaluated in this review.
}, keywords = {Biosynthetic pathway, Colchicine, Genetic diversity, Glory lily, Metabolite elicitation, Omics approaches}, issn = {0926-6690}, doi = {10.1016/j.indcrop.2024.118144}, author = {Mahajan, Yogesh A. and Shinde, Balkrishna A. and Shirke, Harshad A. and Gandra, Jawahar and Suravajhala, Prashanth and Kishor, P. B. Kavi and Kadoo, Narendra Y. and Nikam, Tukaram D.} } @article {49265, title = {Unprecedented C-F bond cleavage in perfluoronaphthalene during cobaltocene reduction}, journal = {DALTON TRANSACTIONS}, volume = {53}, year = {2024}, month = {NOV }, pages = {17789-17793}, type = {Journal Article}, issn = {1477-9226}, doi = {10.1039/d4dt02791d}, author = {Kundu, Gargi and Pramanik, Debjit and Dash, Soumya Ranjan and Kumar, Ravi and Sangole, Mayur and Tothadi, Srinu and Ghosh, Aryya and Vanka, Kumar and Singh, Kirandeep and Sen, Sakya S.} } @article {49059, title = {Unraveling the cooperative mechanisms in ultralow copper-loaded WC@NGC for enhanced CO2 electroreduction to acetic acid}, journal = {Chemistry of Materials }, volume = {36}, year = {2024}, month = {MAR }, pages = {3464-3476}, type = {Article}, abstract = {
Electrochemical CO2 reduction reaction (eCO(2)RR) has been explored on tungsten carbide (WC) nanoparticles embedded on N-doped graphitic carbon (NGC), demonstrating excellent activity toward the formation of acetic acid at an extremely lower potential. The activity has been further enhanced by loading ultralow copper sites into the catalyst system, exhibiting 80.02\% Faradaic efficiency (FE) toward acetic acid at an applied potential of -0.3 V (vs RHE). Potential-dependent in situ infrared (IR), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, ex situ extended X-ray absorption fine structure (EXAFS) studies, and computational analysis confirm that synergy between uniformly dispersed Cu atoms and WC lattice plays a crucial role in the formation of acetic acid with high FE at a lower potential. It has been observed that the W atom of WC strongly chemisorbs CO2 with a significant change in the C-O bond length and the O-C-O bond angle, in contrast to weaker adsorption on Cu-based catalyst surfaces. The presence of a Cu site enhances the adsorption of CO2, thereby increasing the possibility of C-C coupling kinetically. Most importantly, hydrogen evolution predominates on the catalyst{\textquoteright}s surface at higher applied potentials (-0.5 to -1.1 V vs RHE), elucidating the mechanism underlying enhanced charge transfer between copper and WC, a phenomenon ascertained through in situ IR spectroscopy and ex situ XPS analysis
}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.4c00405}, author = {Bagchi, Debabrata and Riyaz, Mohd and Raj, Jithu and Roy, Soumyabrata and Singh, Ashutosh Kumar and Cherevotan, Arjun and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {49363, title = {Unraveling the metal-ligand cooperativity in a phosphine-free Mn(II)-catalyzed transfer hydrogenation of nitriles to primary amines and dehydrogenation of dimethylamine borane}, journal = {ACS CATALYSIS}, volume = {14}, year = {2024}, month = {OCT }, pages = {15777-15789}, type = {Journal Article}, keywords = {CATALYZED TRANSFER HYDROGENATION, STEREOSELECTIVE TRANSFER SEMIHYDROGENATION}, issn = {2155-5435}, doi = {10.1021/acscatal.4c04988}, author = {Chowdhury, Deep and Gupta, Kriti and Gamidi, Rama Krishna and Jindal, Garima and Mukherjee, Arup} } @article {49347, title = {Unravelling polymorphism-driven luminescence in GFP chromophore analogues: insights into the phase transition and morphology-dependent optical waveguide properties}, journal = {Journal of Materials Chemistry C}, volume = {12}, year = {2024}, month = {JUN }, pages = {8368-8379}, type = {Article}, abstract = {
The advent of multi-emission organic solid-state materials in response to external stimuli has sparked the scientific community due to their potential application in developing sophisticated optoelectronic sensors and bioanalytical tools. This article presents green fluorescent protein chromophore (GFPc) analogue-based polymorphs exhibiting significantly different emissions due to various noncovalent interactions in the supramolecular environment and conformational alterations in the crystalline state. In both compounds (A and B), the polymorphs undergo monotropic thermal phase transitions that are characterized by DSC, HSM, and VT-PXRD techniques. The distinct fluorescent emission characteristics of these polymorphs demonstrated morphology-related optical waveguiding features. Specifically, the plate-type Form A1 emitted light with a 2D blue hue, while the needle-type Form A2 emitted light with a yellowish-green colour. Additionally, the impressive waveguiding capabilities of Form B1 were explored in both straight and singly/doubly bending configurations to facilitate fluorescence propagation. Consequently, there is significant interest in developing organic materials based on GFP chromophores, which exhibit low emission in solution but display multi-fluorescent emission in the solid state. These materials are promising for applications such as optoelectronic devices, security tags, live cell imaging, and fluorescent inks. Polymorphs of GFPc analogs A and B display differences in their optical waveguiding properties in 1D and 2D depending on the crystal shapes. Furthermore, Form B1 demonstrates efficient optical waveguiding capabilities even when the crystal is bent.
}, issn = {2050-7526}, doi = {10.1039/d3tc04676a}, author = {Dabke, Niteen B. and Raut, Yash and Mali, Bhupendra P. and Pandya, Rinu and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {49381, title = {Unravelling the prebiotic origins of the simplest α-ketoacids in cometary ices: a computational investigation}, journal = {CHEMICAL COMMUNICATIONS}, volume = {60}, year = {2024}, month = {OCT }, pages = {11283-11286}, type = {Journal Article}, keywords = {GLYOXYLATE, Hydrocarbons, Metabolism, Precursors}, issn = {1359-7345}, doi = {10.1039/d4cc03074e}, author = {Dash, Soumya Ranjan and Pandya, Rinu and Singh, Geetika and Sharma, Himanshu and Das, Tamal and Haldar, Hritwik and Hotha, Srinivas and Vanka, Kumar} } @article {49286, title = {Unveiling a promising active host material for sodium metal anodes through V2AlC max derivation}, journal = {ACS Applied Energy Materials}, volume = {7}, year = {2024}, month = {JUL }, pages = {6084-6089}, type = {Article}, abstract = {
To address the issue of nonuniform sodium deposition, in this study, V2ZnC (named VZC), which is synthesized by substituting Zn for Al in V2AlC, is used as a host material to facilitate effective Na utilization. The key concept is to utilize Zn and its forms as an active site to trap Na, while the high mechanical strength of VZC can accommodate volume changes in the sodium metal anode during charging and discharging. VZC displayed regulated plating and stripping at a higher current and capacity of 8 mA cm-2 and 2 mAh cm(-2), respectively, with Coulombic efficiency close to 99.99\%.
}, keywords = {electrodes, Nucleation, overpotential, sodium metal, XPS depth profiling}, issn = {2574-0962}, doi = {10.1021/acsaem.4c01059}, author = {Wasnik, Kundan and Patrike, Apurva and Shelke, Manjusha V.} } @article {49299, title = {Unveiling different structural orderings in Fe5-xGeTe2}, journal = {Physical Review B}, volume = {110}, year = {2024}, month = {AUG}, pages = {075119}, type = {Article}, abstract = {
We investigate the metallic van der Waals itinerant ferromagnet Fe5-xGeTe2 5 - x GeTe 2 with atomic scale, spatially resolved low-temperature scanning tunneling microscopy (STM), and spectroscopy (STS). STM images unveil / / a new structural order 2a a x 1a a along with the known order 3a a x 3a a manifesting as nonuniform domains. STS shows spatial and energy resolved local density of states that reveal the crucial influence of Fe(1) site occupancy on the system{\textquoteright}s electronic interactions. Our magnetization measurements show magnetic anomalies at lower temperatures and identify a Curie temperature (Tc) c ) surpassing room temperature. Collectively, our results elucidate the intricate nature of Fe5-xGeTe2 5 - x GeTe 2 and underscore its potential for tunability of spintronics and high-temperature magnetic applications.
}, issn = {2469-9950}, doi = {10.1103/PhysRevB.110.075119}, author = {Walve, Vaibhav and Parakh, Piyush and Rajput, Umashankar and Mhase, Akash S. and Singh, Kirandeep and Deshpande, Aparna} } @article {49052, title = {Unveiling electronic structure and magnetic properties of AFe2O4 (A = Co, Ni, Zn, and Mg): Synergizing experimentation with DFT investigation}, journal = {Solid State Communications}, volume = {382}, year = {2024}, month = {APR }, pages = {115459}, type = {Article}, abstract = {
This study presents the synthesis of nano-crystalline spinel ferrites AFe2O4 (A = Co2+, Ni+2, Zn+2, and Mg+2), through the sol-gel method, yielding crystallite sizes ranging from 12 to 28 nm. The variation in IR and Raman spectra due to M-O-M bonding supports the variation in lattice parameters. The magnetization measurements revealed that CoFe2O4 has a high saturation magnetization of -55 emu/g and coercivity of -1350 Oe, while ZnFe2O4 exhibited saturation magnetization value of -8 emu/g and coercivity of -16 Oe. In addition, the electronic structure calculated using DFT, which corroborated the antiparallel alignment of Fe ions in the tetrahedral and octahedral sites, validating the measured magnetic moments. Notably, the CoFe2O4 ferrite exhibited a higher squareness ratio than other ferrites, signifying its suitability as a magnetic material for audiovideo recording.
}, keywords = {Density functional theory, Ferrites, Magnetic materials, X-ray diffraction}, issn = {0038-1098}, doi = {10.1016/j.ssc.2024.115459}, author = {Dhaka, Saroj and Shukla, Aarti and Garima and Poonia, Kavita and Kumar, Sudesh} } @article {49118, title = {Unveiling the cell wall-targeting mechanisms and multifaceted virulence modulation by a eugenol glycoconjugate against aspergillus fumigatus: insights from in vitro and in ovo studies}, journal = {Journal of Applied Macrobiology }, volume = {135}, year = {2024}, month = {JAN }, type = {Article}, abstract = {
Aim The primary objective of this study was to elucidate the putative cell wall-associated targets of compound 6i, a glycoconjugate of eugenol, in Aspergillus fumigatus, while also evaluating its toxicity and assessing histopathologic alterations in the liver, heart, and kidney of compound 6i-treated embryos using an in ovo model.Method To achieve this aim, compound 6i was synthesized, and a series of biochemical assays were performed to determine its impact on the fungal cell wall. Additionally, quantitative real time-PCR and liquid chromatography-mass spectrometry/mass spectrometry analyses were conducted to investigate changes in gene and protein expression profiles associated with melanin biosynthesis, conidiation, siderophore production, transcriptional regulation of beta-glucan biosynthesis, and calcineurin activity in A. fumigatus.Results The experimental findings revealed that compound 6i exhibited notable antifungal activity against A. fumigatus by perturbing cell wall integrity, hindering ergosterol, glucan, and chitin biosynthesis, and inhibiting catalase production. Moreover, relative gene expression and proteomic analyses demonstrated that compound 6i exerted both downregulatory and upregulatory effects on several crucial genes and proteins involved in the aforementioned fungal processes. Furthermore, increased expression of oxidative stress-related proteins was observed in the presence of compound 6i. Notably, the glycoconjugate of eugenol did not elicit cytotoxicity in the liver, heart, and kidney of chick embryos.Conclusion The current investigation elucidated the multifaceted mechanisms by which compound 6i exerts its antifungal effects against A. fumigatus, primarily through targeting cell wall components and signaling pathways. These findings underscore the potential of the eugenol glycoconjugate as a promising antifungal candidate, warranting further exploration and development for combating A. fumigatus infections.
}, keywords = {Aspergillus fumigatus, cell wall integrity, Eugenol, Glycoconjugate, Transcription regulators, Virulence}, issn = {1364-5072}, doi = {10.1093/jambio/lxae009}, author = {Gupta, Lovely and Verma, Shalini and Goswami, Lakshmi and Kamboj, Himanshu and Sen, Pooja and Bhattacharya, Asish K. and Vijayaraghavan, Pooja} } @article {49288, title = {Unveiling the inverse sandwich complexes of XeO3: a computational exploration}, journal = {Inorganic Chemistry}, volume = {63}, year = {2024}, month = {JUL }, pages = {13585-13593}, type = {Article}, abstract = {
Our study introduces the design of inverse sandwich (iSw) complexes incorporating a noble gas compound: xenon trioxide (XeO3). Through comprehensive computational analyses, we have investigated the critical factors influencing their stability by employing a variety of state-of-the-art computational tools. We demonstrated that the coordination number of xenon in the iSw complex of XeO3 with 18-crown-6 is influenced by the presence of a rare, weakly stabilizing XeXe interaction between the XeO3 molecules. Furthermore, we observed that the stability of iSw complexes of 1,3,5-triphenylbenzene (TPB) and its derivatives is not solely attributed to aerogen bonding, but also involves contributions from C-HO interactions and back-donation from the lone pair of Xe to the antibonding C-C orbitals of TPB. Additionally, the significant contributions from orbital interactions and dispersion interactions in the TPB derivatives highlight the multifaceted amphoteric properties of XeO3 and reveal that the iSw complexes of TPB and derivatives are not predominantly governed by electrostatic interactions, contrary to conventional belief.
}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.4c01744}, author = {Dash, Soumya Ranjan and Vanka, Kumar} } @article {49049, title = {Utility of metagenomics for bioremediation: a comprehensive review on bioremediation mechanisms and microbial dynamics of river ecosystem}, journal = {Environmental Science and Pollution Research}, volume = {31}, year = {2024}, month = {MAR}, pages = {18422-18434}, type = {Review}, abstract = {
Global industrialization has contributed substantial amounts of chemical pollutants in rivers, resulting in an uninhabitable state and impacting different life forms. Moreover, water macrophytes, such as water hyacinths, are abundantly present in polluted rivers, significantly affecting the overall water biogeochemistry. Bioremediation involves utilizing microbial metabolic machinery and is one of the most viable approaches for removing toxic pollutants. Conventional techniques generate limited information on the indigenous microbial population and their xenobiotic metabolism, failing the bioremediation process. Metagenomics can overcome these limitations by providing in-depth details of microbial taxa and functionality-related information required for successful biostimulation and augmentation. An in-depth summary of the findings related to pollutant metabolizing genes and enzymes in rivers still needs to be collated. The present study details bioremediation genes and enzymes functionally mined from polluted river ecosystems worldwide using a metagenomic approach. Several studies reported a wide variety of pollutant-degrading enzymes involved in the metabolism of dyes, plastics, persistent organic pollutants, and aromatic hydrocarbons. Additionally, few studies also noted a shift in the microbiome of the rivers upon exposure to contaminants, crucially affecting the ecological determinant processes. Furthermore, minimal studies have focused on the role of water-hyacinth-associated microbes in the bioremediation potentials, suggesting the need for the bioprospecting of these lesser-studied microbes. Overall, our study summarizes the prospects and utilities of the metagenomic approach and proposes the need to employ it for efficient bioremediation.
}, keywords = {Bioremediation, Metagenomics, Rivers, Water hyacinth, Xenobiotic}, issn = {0944-1344}, doi = {10.1007/s11356-024-32373-3}, author = {Yadav, Rakeshkumar and Dharne, Mahesh} } @article {48974, title = {Valorizing biomass waste glycerol to fuel additive at room temperature using a nanostructured WO3/Nb2O5 catalyst}, journal = {Catalysis Communications }, volume = {186}, year = {2024}, month = {JAN}, type = {Article}, abstract = {
We developed a nanostructured catalyst consisting of WO3 nanoparticles and Nb2O5 nanorods for efficient glycerol acetalization to produce a fuel additive (solketal) at room temperature. Particularly, the WO3/Nb2O5 nanocatalyst calcined at 400 degrees C (WO3/Nb2O5-4) contains W5+ species and optimum acid sites, which enhanced glycerol conversion (92.3\%) with 95.6\% of solketal selectivity at room temperature. The structure stability of the WO3/Nb2O5-4 catalyst during the reaction is showcased by hot-filtration study and XRD/XPS characterization. However, the inadequate regeneration of the Bronsted acid sites led to a gradual decrease in the recyclable activity of the WO3/Nb2O5-4 catalyst.
}, keywords = {Bronsted-Lewis acid sites, Fuel additive, Room-temperature glycerol acetalization, W5+species}, issn = {1566-7367}, doi = {10.1016/j.catcom.2023.106827}, author = {Putla, Suresh Babu and Subha, P. and Swapna, Bhattu and Singh, Nittan and Sudarsanam, Putla} } @article {49402, title = {Variations in packing as a function of side chains in random copolymers and its impact on charge carrier mobility}, journal = {Macromolecular Chemistry and Physics}, year = {2024}, month = {OCT }, type = {Article; Early Access}, abstract = {
Homopolymers and alternating copolymers of conjugated molecules exhibit impressive performance in electronic devices. Despite the well-established procedures, the synthesis of alternating copolymers using three monomers is not as easy as random copolymers. Besides facile synthesis, the random copolymers can match the performance of alternating copolymers in electronic devices. Herein, random copolymers are designed and synthesized comprising thienoisoindigo (TIIG), diketopyrrolopyrrole (DPP), and thiophene. The DPP monomers installed with various side chains including branched alkyl chain, branched alkyl chain with ester functionality, linear oligo ethylene glycol, and siloxane terminated alkyl chain are incorporated into the polymers (P1, P2, P3, and P4, respectively). All the thermally stable, low bandgap random copolymers exhibited strong H-type aggregation in thin film. The relationship between thin film microstructure originating from diverse side chains and the charge transport in organic field effect transistors (OFETs) is investigated. All the random copolymers exhibited predominantly p-type charge transport and a maximum hole mobility of 2 x 10-2 cm2 V-1s-1 is observed for P3. The packing of all the polymers is examined theoretically by density functional theory (DFT) and compared with experimental values obtained from grazing incident X-ray diffraction (GIXRD). Various side chains (hydrophilic and hydrophobic) affect molecular packing of random polymers which ultimately affects its thin film morphology and semiconducting performances. Linear chains provide better interchain packing by pi-pi stacking compared to bulky branched side chains. The incorporation of heteroatoms and polar groups into the side chain further enhances the interchain interactions. image
}, keywords = {diketopyrrolopyrrole, organic field effect transistor, random polymer, side chain engineering, thienoisoindigo}, issn = {1022-1352}, doi = {10.1002/macp.202400294}, author = {Swain, Gitanjali and Kumar, Subramani and Samudre, Nikhil S.} } @article {49249, title = {Viscosity effects on the dynamics of diols and diol-based deep eutectic solvents}, journal = {Photochemistry and Photobiology}, volume = {100}, year = {2024}, month = {JUL}, pages = {946-955}, type = {Article}, abstract = {
Diols, characterized by the presence of two hydroxyl groups, form extended hydrogen-bonded networks. Increasing hydrocarbon chain length is known to elevate the viscosity of diols. Given the established influence of viscosity on solvent dynamics, it becomes imperative to comprehend the impact of viscosity on the fluctuation dynamics within diols and establish connections with hydrogen bond formation and breaking dynamics. In this study, we employ two-dimensional infrared spectroscopy to investigate the viscosity dependence of the structural evolution dynamics in three diols with varying chain lengths. Complementing our experimental approach, molecular dynamics simulations are conducted to extract hydrogen bond lifetimes. Our findings reveal a linear correlation between bulk viscosity, solvent fluctuation timescales, and hydrogen bond lifetimes. Notably, the selected diols exhibit the capability to form deep eutectic solvents upon mixing with choline chloride at specific molar ratios. In contrast to molecular solvents like diols, deep eutectic solvents are characterized by the formation of heterogeneous nanodomains, comprising various intercomponent hydrogen-bonded networks. Interestingly, our observations indicate that while the fluctuation dynamics decelerate with increasing bulk viscosity in diol-based deep eutectic solvents, the relationship between viscosity and dynamics is not linear, in contrast to the observed linearity in diols. This nuanced understanding contributes to the broader comprehension of the interplay between viscosity and dynamics in both molecular and deep eutectic solvents. We investigate the impact of viscosity on structural evolution dynamics in diols with varying chain lengths. Employing two-dimensional infrared spectroscopy and molecular dynamics simulations, we explore the relationship between bulk viscosity, solvent fluctuation timescales, and hydrogen bond lifetimes. We report a linear correlation in diols between viscosity, fluctuation timescales, and hydrogen bond lifetimes. Diols also form deep eutectic solvents, characterized by heterogeneous nanodomains. While fluctuation dynamics slow down with increasing bulk viscosity in diol-based deep eutectic solvents, the relationship between viscosity and dynamics is nonlinear, contrasting with diols{\textquoteright} linearity. This understanding enhances comprehension of viscosity-dynamics interplay in molecular and deep eutectic solvents.image
}, keywords = {Dynamics, Hydrogen bond, solvent, spectroscopy, viscosity}, issn = {0031-8655}, doi = {10.1111/php.13950}, author = {Chatterjee, Srijan and Deshmukh, Samadhan H. and Chowdhury, Tubai and Bagchi, Sayan} } @article {49031, title = {Visible, far-red, and near-infrared active unsymmetrical squaraine dyes based on extended conjugation within the polymethine framework for dye-sensitized solar cells}, journal = {ACS Applied Energy Materials}, volume = {7}, year = {2024}, month = {FEB }, pages = {1461-1475}, type = {Article}, abstract = {
Alkyl group wrapped visible, far-red, and NIR active unsymmetrical squaraine dyes with pi-extension in the polymethine framework-based AM4-AM7 have been designed, synthesized, and utilized as sensitizers for dye-sensitized solar cells. To extend the pi-conjugation within the polymethine framework, thiophene moieties have been incorporated between the donor and acceptor moieties. Absorption spectroscopic studies revealed that pi-extension with each -C \& boxH;C- unit resulted similar to 100 nm of redshift in the charge transfer transition with the lambda(maximum) of 541, 643, 747, and 833 nm for AM4, AM5, AM6, and AM7 dyes, respectively, with the molar extinction coefficient of \>10(5) M(-1)cm(-1). The pi-extended conjugation-based AM6 and AM7 dyes showed improved light-harvesting efficiency (LHE), where the AM7 dye showed an LHE of 386 nm at 60\%. Electrochemical studies of AM dyes revealed that the HOMO energy level of the sensitizers has been modulated systematically. Further, pi-extension within the polymethine framework showed a dramatic effect on V-OC, J(SC), and device efficiency when move from visible active AM4 to far-red active to NIR active AM7 dyes. The DSSC efficiencies of 7.35, 5.18, 0.08, and 0.053\% have been achieved with the I-/I-3(-) electrolyte (Z-50) for the AM4, AM5, AM6, and AM7 dyes, respectively. Further, AM4 dye has been cosensitized with AM5, AM6, and AM7 dyes, where AM4:AM5 (1:1) composition achieved the maximum efficiency of 8.12\% with I-/I-3(-) electrolyte (Z-50) compared to the other cosensitization compositions.
}, keywords = {aggregation of dyes, DSSC device efficiency, light-harvesting efficiency, pi-extension, polymethine framework, squaraine dyes}, issn = {2574-0962}, doi = {10.1021/acsaem.3c02610}, author = {Singh, Amrita and Singh, Ambarish Kumar and Dixit, Ruchi and Vanka, Kumar and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {49026, title = {Visible light and pH-responsive star copolymer and doxorubicin-polymer conjugate micelles for combination drug delivery and bioimaging}, journal = {Journal of macromolecular science part A- pure and applied chemistry}, volume = {61}, year = {2024}, month = {FEB }, pages = {105-116}, type = {Article}, abstract = {
Amphiphilic 3-arm star copolymer containing visible light-cleavable BODIPY group and pH-responsive imine bonds at the junction of hydrophilic poly(ethylene glycol) (PEG) and two poly(epsilon-caprolactone) (PCL) arms was synthesized by the combination of ring-opening polymerization (ROP) and click chemistry. The formation and stimuli-responsive disruption of micelles were analyzed using dynamic light scattering and transmission electron microscopy. Dual stimuli-responsive release of anticancer drugs Doxorubicin (Dox) and Camptothecin (CPT) from the micelles was studied. Micellar assemblies containing Dox conjugated to PEG-BODIPY through imine bonds were prepared and controlled release of Dox in response to visible light and pH was shown. CPT and Dox-loaded star copolymer micelles as well as CPT loaded Dox-conjugated micelles were used in cellular uptake studies on MDA-MB 231 cells, and the synergistic effect of the two stimuli on the release of the two drugs was demonstrated inside the cells. Micellar assemblies also showed excellent bioimaging properties in the cellular uptake studies. [GRAPHICS]
}, keywords = {BODIPY, drug conjugate, micelles, pH-responsive, visible light-responsive}, issn = {1060-1325}, doi = {10.1080/10601325.2024.2302857}, author = {Basutkar, Nitin B. and Surapaneni, Sai Geetika and Alam, Md. Shafi and Ambade, Ashootosh V.} } @article {49120, title = {Visible light-assisted ferro-photocatalytic application of bismuth ferrite nanoparticles synthesized at low temperature}, journal = {Journal of Materials Science }, volume = {59}, year = {2024}, month = {JAN}, pages = {1513-1525}, type = {Article}, abstract = {
Polycrystalline nano-sized multiferroic bismuth ferrite was prepared by facile sole-gel method using acetic acid as a chelating agent followed by calcination at 450, 500, and 600 degrees C. Transmission electron spectroscopy and X-ray diffraction patterns revealed the crystallinity in the samples, and the crystallite size increased with calcination temperature. The calcination temperature also greatly influenced the grain size of the materials, and high calcination temperature induces a decline in the total surface area per unit mass of material. The ferroelectric polarization measurement showed a decrease in remnant polarization from 0.18 to 0.09 mu C/cm2 with an increase in temperature. The remnant polarization induced delayed recombination of charge carriers upon light illumination, and the high surface area led to the highest photocatalytic activity in 450 degrees C calcined samples. The higher photocurrent density in low-temperature calcined samples supports the visible-light photodegradation studies of Congo Red (CR) dye. A maximum of 76.6\% photocatalytic activity was observed in the 450 celcius calcined bismuth ferrite samples. In summary, the higher photocatalytic efficiency in the low-temperature samples is attributable to the synergistic effect of relatively higher remnant polarization and higher surface area.
}, issn = {0022-2461}, doi = {10.1007/s10853-023-09278-6}, author = {Sarraf, Sonu and Kaushal, Neha and Chugh, Vibhas and Sundar, Adhiraj and Saha, Avishek and Basu, Aviru K.} } @article {49226, title = {Visible-light mediated C-3 amination of quinoxalin-2(1H)-ones via electron donor-acceptor complexation}, journal = {Asian Journal of Organic Chemistry}, volume = {13}, year = {2024}, month = {AUG}, type = {Article}, abstract = {
The formation of carbon-nitrogen bonds holds paramount importance in the realm of synthetic organic chemistry, finding extensive applications in the synthesis of pharmaceuticals, agrochemicals, and organic materials. Herein, we describe a novel EDA complex mediated, metal- and photocatalyst-free, visible-light-initiated direct C-3 amination of biologically important, quinoxalin-2(1H)-one moiety. The key to the success lies in the formation of a photoactivated electron donor-acceptor complex between quinoxalin-2(1H)-one and amine, which undergo subsequent electron transfer reaction to effect the desired transformation. A diverse array of 3-aminoquinoxalin-2(1H)-ones were prepared employing this process and the yields are up to 87\%. This work represents a significant advancement toward a more environmentally friendly and efficient approach, characterized by mild reaction conditions and a high atom economy.
}, keywords = {C-3 amination, Dehydrogenative amination, EDA complex, quinoxalin-2(1H)-ones}, issn = {2193-5807}, doi = {10.1002/ajoc.202400150}, author = {More, Devidas A. and Gayathri, P. R. and Thete, Kishor R. and Muthukrishnan, M.} } @article {49395, title = {Visible-light-induced radical sulfonylative-cyclization cascade of 1,6-Enynol derivatives with sulfinic acids: a sustainable approach for the synthesis of 2,3-disubstituted benzoheteroles}, journal = {CHEMSUSCHEM}, volume = {17}, year = {2024}, month = {OCT }, type = {Journal Article}, keywords = {1, 6-Enynols, Benzofurans, Benzothiophenes, indoles, Sulfones}, issn = {1864-5631}, doi = {10.1002/cssc.202400227}, author = {Haritha Kumari, Arram and Jagadesh Kumar, Jangam and Sharadha, Nunavath and Rama Krishna, Gamidi and Jannapu Reddy, Raju} } @article {49056, title = {Water-chain mediated proton conductivity in mechanically flexible redox-active organic single crystals}, journal = {Journal of Materials Chemistry A}, volume = {12}, year = {2024}, month = {MAR }, pages = {5866-5874}, type = {Article}, abstract = {
Investigating electrochemical features of proton-conducting organic crystalline materials is relevant in developing efficient energy storage and conversion devices. However, the poor structural flexibility of the crystalline materials at the molecular level often impedes hydrogen bond reorganization of the proton carriers during proton migration, ultimately leading to low ionic conductivity. Here, we report crystals of azobenzene, functionalized with dipicolylamine at both ends (Azo-DPA), which contain an extended hydrogen-bonding network with water molecules in its structure. Interestingly, the crystals display remarkable mechanical flexibility explicitly probed by the nanoindentation technique. The mechanically flexible neutral organic crystals devoid of any acidic moieties (-COOH, -PO3H2, etc.) within the system, exhibit promising proton conductivity (1.63 x 10-4 S cm-1 at 30 degrees C under 95\% relative humidity) which is almost 100 times better compared to the neutral organic systems reported to date. Mechanically flexible redox-active crystalline organic material (Azo-DPA) capable of impressive proton conduction was employed as an electrode material for the first time in an aqueous battery containing Zn2+ ions. The experimental and theoretical studies on the charge storage mechanism revealed the redox activity of the azo (-N 00000000 00000000 00000000 00000000 11111111 00000000 11111111 00000000 00000000 00000000 N-) centers involving reversible insertion/extraction of protons and Zn2+ ions. Ultimately, the electrode displayed a specific capacity similar to 49 mA h g-1 with almost 100\% retention after 1400 cycles, encouraging the scope of redox-active organic crystalline materials for energy storage applications. Investigating the electrochemical features of proton-conducting flexible organic crystalline materials is crucial for the development of efficient energy storage and conversion devices.
}, issn = {2050-7488}, doi = {10.1039/d3ta05797f}, author = {Hossain, Munshi Sahid and Ghosh, Meena and Mondal, Amit and Ajmal, P. and Saha, Monochura and Reddy, C. Malla and Kurungot, Sreekumar and Bandyopadhyay, Subhajit} } @article {49033, title = {What leads to direct epoxidation? an exhaustive DFT investigation of electrophilic oxygen mediated epoxidation of ethylene on Ag(100)}, journal = {Computational Materials Science }, volume = {239}, year = {2024}, month = {APR}, type = {Article}, abstract = {
Extensive research has contributed to a better understanding of the commercially important epoxidation reaction. Selectivity, a crucial aspect of this reaction, has received significant attention in both experimental and theoretical investigations. However, a consensus regarding the role of electrophilic oxygen in epoxidation is yet to be reached. The present study is a theoretical examination of the prerequisites necessary for direct epoxidation to occur on the Ag(100) surface, at varied monolayer concentrations. Additionally, the study investigates the characteristics of various oxygen species interacting with ethylene to promote the direct epoxidation pathway. Based on the effective charges and projected density of states (pDOS) analysis, three oxygen variants were identified on the Ag(100) surface: atomic oxygen, dissociatively adsorbed molecular oxygen, and O 3 . The investigation reveals that all oxygen species, despite their physical and electronic differences, are electrophilic and undergo direct epoxidation. This work provides insights into the complex nature of epoxidation reaction and discusses electronic factors influencing the selective oxidation route on different Ag-O complexes.
}, keywords = {Ag(100), DFT, Direct epoxidation, Electrophilic oxygen, Ethylene Oxide (EtO), OMC}, issn = {0927-0256}, doi = {10.1016/j.commatsci.2024.112959}, author = {Nair, Aathira and Joshi, Kavita} } @article {49112, title = {Wide temperature enhanced sodium storage in tailored, sustainable sodiophilic biphasic N-doped carbon}, journal = {Materials Today Chemistry }, volume = {37}, year = {2024}, month = {APR}, type = {Article}, abstract = {
Alternative to Li-ion batteries(LIB), Na-ion batteries (NIB) and Na metal batteries (NMB) are gaining significant attention due to their low cost, abundance, and safety. By modulating microstructural properties such as graphitization, heteroatom doping, surface-rich functional groups, and interlayer d-spacing, Na-ion storage in NIB and Na plating/striping in NMB can be ameliorated. This study reports sodiophilic N-doped polymer-derived carbon (PDC) as an anode for NIB and host for Na metal in NMB. As NIB anode, PDC provides a storage capacity of 173 mAh g- 1 at 1 A g- 1 in half-cell and 84 mAh g- 1 at 1C (1C = 128 mAhg- 1) in full-cell with Na3V2(PO4)2F3 (NVPF) cathode. As Na metal anode (NMA) host, a high columbic efficiency (C.E.) of 99.45\% for over 1000 cycles at 6 mA cm- 2_4 mAh cm-2 is obtained. Furthermore, fascinating wide temperature (50 degrees C and -20 degrees C) sodiumion storage is successfully demonstrated by PDC. Advanced X-ray photoelectron spectroscopy (XPS) confirmed the formation of stable and uniform solid electrolyte interphase (SEI) composed of inorganic and organic components, X-ray microtomography confirmed uniform Na plating throughout the volume of the electrode analogous to Brunauer-Emmett-Teller (BET) surface area, Raman spectroscopy, X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM) results. A sustainable and scalable promising biphasic NIB anode and sodiophilic host for Na metal was possible due to larger d-spacing, partial graphitization, high mesoporosity, N-doping, presence of surface functional groups, better charge transfer, and diffusion properties.
}, keywords = {Full-cell, Low and elevated temperatures, Na metal host, Polymer-derived carbon, Sodium-ion battery, X-ray tomography}, issn = {2468-5194}, doi = {10.1016/j.mtchem.2024.101978}, author = {Yadav, Poonam and Das, Anoushka K. and Torris, Arun and Wasnik, Kundan and Koppisetti, Heramba Venkata Sai Rama Murthy and Pol, Vilas G. and Shelke, Vilas and Shelke, Manjusha} } @article {49629, title = {Yoga therapy attenuates the progression of diabetes - insights from proteomics and metabolomics analysis}, journal = {International Journal of Yoga}, volume = {17}, year = {2024}, month = {DEC}, pages = {163-174}, type = {Article}, abstract = {
Objective:\ Diabetes management remains challenging despite advancements in therapeutics, with many subjects developing complications. Yoga has been shown to aid diabetes management. This study investigates the impact of yoga therapy on diabetes progression, utilizing proteomics and metabolomics analyses to explore underlying molecular mechanisms.

Methodology:\ A 3-month longitudinal study involving healthy subjects with prediabetes and diabetes was conducted. Blood glucose, glycated hemoglobin (HbA1c), lipid profile, and malondialdehyde (MDA) levels were measured before and after the yoga intervention.

Results and conclusion:\ Healthy subjects showed no significant changes in blood glucose, lipid profile, HbA1c, or MDA levels. However, subjects with prediabetes and diabetes experienced positive changes, with decreases in HbA1c and MDA levels. Proteomics and metabolomics analyses provided insights into the molecular mechanisms by which yoga attenuates diabetes progression in subjects with prediabetes and diabetes. This study is a pioneering effort to understand the molecular basis of yoga{\textquoteright}s beneficial effects on diabetes management.
}, doi = {10.4103/ijoy.ijoy_178_24}, author = {Sonwane, Babasaheb P. and Raut, Pooja and Chitalkar, Jyotsna and Godbole, Smita and Sabnis, Shanta and Gupta, Jyoti and Santhakumari, B. and Deshpande, Mukund V. and Kulkarni, Mahesh J.} } @article {49647, title = {ZrO2 supported Cu nanoparticles for sonogashira and ullmann coupling reactions under palladium-free conditions}, journal = {Catalysis Letters}, volume = {154}, year = {2024}, month = {JUN}, pages = {3078-3090}, type = {Article}, abstract = {
Cu nanoparticles supported on ZrO2 (CuNPs@ZrO2) were synthesized using a one-step co-precipitation process, and their application in C-C coupling reactions was investigated. The catalyst was characterized using XRD, XPS, SEM, TEM, and TGA techniques. The prepared catalyst was used for the Sonogashira cross-coupling reactions of aryl bromides with phenyl-acetylene in the presence of K2CO3 in DMF at 110 degrees C, which resulted in substituted alkynes with good to excellent yields. The protocol was also extended for the Ullmann coupling reactions of aryl iodides under similar reaction conditions, yielding the desired products with good to excellent yields without homo-coupling. Interestingly, unlike other copper catalysts, the present catalyst worked under air and did not require an inert atmosphere to prevent alkyne. This catalytic system is versatile, tolerant, and significantly cheaper than the {\textquoteleft}{\textquoteleft}traditional{\textquoteright}{\textquoteright} Pd-catalyzed Sonogashira cross-coupling of terminal alkynes with aryl halides. The catalyst could be reused for five catalytic cycles with no significant change in the product yield. All of these characteristics make our prepared CuNPs@ZrO2 catalyst quite suitable for the gram-scale synthesis of biaryls and alkynes, with a simple workup.{GRAPHIACAL ABSTRACT
}, keywords = {CuNPs, Recyclability, Sonogashira coupling, Ullmann coupling, ZrO2}, issn = {1011-372X}, doi = {10.1007/s10562-023-04513-w}, author = {Patil, Seema P. and Rajmane, Archana S. and Jadhav, Sanjay N. and Rajmane, Vijaya S. and Rode, Chandrashekhar V. and Kumbhar, Arjun S.} } @article {49538, title = {32nd National Congress of Parasitology, Pune: bringing together India{\textquoteright}s parasitologists}, journal = {Trends in Parasitology}, volume = {41}, year = {2025}, month = {JAN}, pages = {1-7}, type = {Article}, abstract = {
The 32nd National Congress of Parasitology (NCP) was held in person, 3-5 October 2024, at the Indian Institute of Science Education and Research Pune (IISER Pune), jointly organized by IISER Pune; the Council of Scientific and Industrial Research - National Chemical Laboratory, Pune; and Savitribai Phule Pune University (formerly University of Pune) in association with the Indian Society for Parasitology. The conference brought together around 250 attendees from across the country and abroad, including a diverse group of researchers, clinicians, industry experts, and students. The event provided a collaborative environment for exchanging research ideas relevant to the field of parasitology. The congress emphasized the concept of One Health, a holistic approach to address parasitic infections affecting humans and animals to promote overall health and well-being. In this TrendsTalk, the organizers provide an overview of the conference proceedings, which brought together India{\textquoteright}s vast and diverse parasitology community.
}, issn = {1471-4922}, doi = {10.1016/j.pt.2024.10.022}, author = {Purkayastha, Devatrisha and Pandit, Kushankur and Upadrasta, Sindhuri and Khilari, Ajinkya and Shanmugam, Dhanasekaran and Karmodiya, Krishanpal} } @article {49502, title = {Accessing polysubstituted 2-cyclopentenones via base-mediated annulation of β-keto esters and phenacyl bromides}, journal = {Organic \& Biomolecular Chemistry}, volume = {23}, year = {2025}, month = {MAY}, pages = {4519-4524}, type = {Article}, abstract = {
A transition metal-free method is demonstrated for the synthesis of polysubstituted 2-cyclopentenone compounds, which involves the direct annulation of phenacyl bromide with beta-keto esters in a single step. This process proceeds through a base-mediated SN2 nucleophilic substitution, followed by an intramolecular aldol condensation, resulting in the formation of three C-C bonds and one ring in a cascade manner. The experimental results achieved a record high yield of highly substituted diverse 2-cyclopentenone analogues, which exhibit very good structural resemblance to biologically significant natural compounds.
}, issn = {1477-0520}, doi = {10.1039/d4ob02088j}, author = {Kumar, Mohit and Paul, Vincent and Gamidi, Rama Krishna and Senthilkumar, Beeran} } @article {49514, title = {Advances in polymer electrolyte design strategies for highly efficient supercapacitors and Zn-based batteries}, journal = {Chemical Communications}, volume = {61}, year = {2025}, month = {MAY }, pages = {6864-6881}, type = {Article}, abstract = {
Electrolytes play a crucial role in the performance of electrochemical energy storage systems, such as batteries and supercapacitors. Their main function is to act as a medium for ion transport between the electrodes, which is essential for the charge and discharge processes. Beyond this, the electrochemical performance of the device is strongly affected by the various properties of the electrolytes such as their ionic conductivity, chemical, thermal and electrochemical stability, chemical compatibility, etc. The intrinsic limitations of the aqueous electrolytes such as their decomposition during high voltage operations has led to the development of better electrolytes for batteries and supercapacitors. These included non-aqueous electrolytes, inorganic solid-state electrolytes, and gel polymer electrolytes. This feature article reviews the various approaches to designing a highly efficient polymer electrolyte for the targeted application along with the suitable device fabrication strategy adopted in the current literature to achieve a balanced electrochemical performance compared with a liquid electrolyte-based device.
}, issn = {1359-7345}, doi = {10.1039/d5cc00174a}, author = {Puthiyaveetil, Priyanka Pandinhare and Babu, Athira and Kurian, Maria and Kurungot, Sreekumar} } @article {49604, title = {AgOTf-catalyzed cascade annulation of 5-hexyn-1-ols and aldehydes: enabling the diastereoselective synthesis of [6,6,6]-trioxa-fused ketals and hexahydro-2H-chromenes}, journal = {Chemical Communications}, volume = {61}, year = {2025}, month = {JAN }, pages = {973-976}, type = {Article}, abstract = {
We report the unprecedented diastereoselective synthesis of novel [6,6,6]-trioxa-fused ketals via AgOTf-catalyzed cascade annulation of 5-hexyn-1-ols (with primary or secondary hydroxyl groups) and aldehydes through a [2+2+1+1] pathway. In contrast, 5-hexyn-1-ols with tertiary hydroxyl groups yield hexahydro-2H-chromenes via a [3+1+1+1] pathway.
}, issn = {1359-7345}, doi = {10.1039/d4cc05546b}, author = {Vinodkumar, Ramavath and Nakate, Ashwini K. and Krishna, Gamidi Rama and Kontham, Ravindar} } @article {49582, title = {Air-stable double halide perovskite Cs2CuBiBr6: synthesis and memristor application}, journal = {Physical Chemistry Chemical Physics}, volume = {27}, year = {2025}, month = {FEB}, pages = {3150-3159}, type = {Article}, abstract = {
The excellent optical and electronic properties of halide perovskite materials have attracted researchers to investigate this particular field. However, the instability in ambient conditions and toxicity of materials like lead have given some setbacks to commercial use. To overcome these issues, perovskite-inspired materials with less toxic and excellent air-stable materials are being studied. Double perovskite materials are one of the perovskite materials. In this study, we have synthesized air-stable double perovskite Cs2CuBiBr6 using a solution process approach. The characterization of the material revealed that it has excellent crystallinity and high stability. The material shows excellent optical and electronic properties. It can be used in resistive memory devices. It shows stable current-voltage characteristics and analog switching. The ion migration through the active layer and accumulation of charge near the electrode region are the reasons behind the resistive switching.
}, issn = {1463-9076}, doi = {10.1039/d4cp04639k}, author = {Betal, Atanu and Chetia, Anupam and Saikia, Dibyajyoti and Karmakar, Krishnendu and Bera, Ganesh and Dambhare, Neha V. and Rath, Arup K. and Sahu, Satyajit} } @article {49566, title = {Altered Octopamine synthesis impairs tyrosine metabolism affecting Helicoverpa armigera vitality}, journal = {Pesticide Biochemistry and Physiology}, volume = {208}, year = {2025}, month = {MAR}, pages = {106323}, type = {Article}, abstract = {
Tyramine (1-hydroxylase (T(1H) is a key enzyme in the biosynthesis of octopamine (OA), a vital neurohormone in invertebrates. This study explores the expression patterns and functional role of Helicoverpa armigera T(1H (HaT(1H) across various tissues and developmental stages. HaT(1H expression was highest in the head and adult male stages, reflecting tissue-specific and developmental regulation. HaT(1H silencing significantly increased locomotion and decreased feeding behavior. OA supplementation in silenced insects or HaT(1H overexpression showed a contrary effect on locomotory and feeding behavior. In silico screening and inhibitory assays identified tomatidine, a tomato-derived metabolite, as a potent HaT beta H inhibitor with strong binding affinity. In vivo bioassays confirmed tomatidine{\textquoteright}s inhibitory effects, reducing feeding and increasing mortality in H. armigera. Modulation in HaT(1H expression or activity disturbs the tyrosine metabolic pathway, with altered levels of tyramine, octopamine, and dopamine. These results highlight HaT(1H as a key regulator of OA biosynthesis, influencing insect feeding, locomotion, and overall survival. The present study also introduces tomatidine as a potential candidate for insect control, given its ability to disrupt HaT beta H function. This work provides new insights into the physiological roles of HaT beta H and offers promising avenues for developing targeted pest management strategies.
}, keywords = {Helicoverpa armigera, Octopamine biosynthesis, Tomatidine, Tyramine (1-hydroxylase (HaT(1H), Tyrosine metabolic pathway}, issn = {0048-3575}, doi = {10.1016/j.pestbp.2025.106323}, author = {Patil, Yogita P. and Wagh, Deepti S. and Barvkar, Vitthal T. and Gawari, Shyam K. and Pisalwar, Priyanka D. and Ahmed, Shadab and Joshi, Rakesh S.} } @article {49542, title = {Anomalous membrane organization by omega-6 and omega-9 fatty acids}, journal = {Physical Chemistry Chemical Physics}, volume = {27}, year = {2025}, month = {MAR}, pages = {6235-6248}, type = {Article}, abstract = {
Omega fatty acids are currently being marketed as healthy food supplements as they have been implicated in multiple pathophysiological conditions, such as reducing plaque formation of A beta peptide and inhibiting SARS-CoV-2 infection. Their mode of action has been hypothesized to be via membrane reorganization by the unsaturated acyl chains, leading to the modulation of lipid-protein cross-talk. However, the lack of molecular details led us to evaluate the molecular effect of omega-6 (linolenic acid) and omega-9 (oleic acid) fatty acids on membrane organization using a consolidated approach of fluorescence spectroscopy and all-atom molecular dynamics simulation. Our results show that the effect of these omega fatty acids is sensitive to their protonation states. Contrary to the accepted notion that chain unsaturation causes membrane disordering, both experimental and simulation results demonstrate that protonated linoleic acid promotes membrane ordering, despite having two unsaturations at the fatty acyl chain. However, protonated oleic fatty acid, with reduced unsaturation, disordered the acyl chain area of the lipid membranes. Equally surprisingly, deprotonated oleic acid orders, whereas deprotonated linoleic acid disorders, the membrane core region. Interestingly, while the lipid order parameter measurements from simulations did not capture these subtle differences, the calculated rotational autocorrelation function of a membrane dye was in line with experimentally measured apparent rotational correlation times. Our work provides a comprehensive revised molecular picture of the effect of omega fatty acids on membranes and highlights the importance of rigorous comparative approaches, as experimental and simulation studies in isolation can sometimes lead to inconsistent results.
}, issn = {1463-9076}, doi = {10.1039/d4cp04370g}, author = {Porte, Sudha and Pandia, Swaratmika and Joardar, Ankita and Saraf, Deepashri and Pinjari, Aadil and Chakraborty, Hirak and Sengupta, Durba} } @article {49539, title = {Aryl borane as a catalyst for dehydrative amide synthesis}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {JAN}, pages = {2271-2277}, type = {Article}, abstract = {
Tris(pentafluorophenyl)borane B(C6F5)(3)H2O is reported as a catalyst for dehydrative amidation of carboxylic acids and amines. This protocol is applicable across a wide range of \>35 substrates, including aromatic and aliphatic amines and acids, resulting in amides in \<= 92\% yields. The scalability of the reaction up to 10 mmol, along with the synthesis of drugs such as ibuprofen amide, moclobemide, and phenacetin, demonstrates the industrial potential of our protocol.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c02652}, author = {Gavit, Amit Vinayak and Talekar, Sanjana S. and Mane, Manoj V. and Sawant, Dinesh Nanaji} } @article {49541, title = {Aspergillus terreus variant TB21 wet biomass optimized by in-situ transesterification for biodiesel production}, journal = {AMB Express}, volume = {15}, year = {2025}, month = {FEB}, pages = {23}, type = {Article}, abstract = {
The oleaginous fungus, Aspergillus terreus when subjected to random chemical mutagenesis led to isolation of TB21 variant with improved lipid content (78.1\%) as compared to wild type (49.8\%). The fungal wet biomass grown on sugarcane bagasse hydrolysate (SCBH) was subjected to one-step in-situ (direct) acid transesterification to optimize its conversion to biodiesel using a 2-level factorial statistical design of experiments. The process optimization revealed that wet biomass and methanol were the most significant factors and in a short reaction time period of 5 min with low methanol: wet biomass ratio (10:1) influenced FAME production Statistical optimization studies showed that TB21 exhibited a higher FAME content of 76.5 and 38.1\% (w/w) from wet and dry biomass, respectively when compared to wild type (48.1 and 24.5\%). FAME productivity (0.55-1 h-1) and a yield (66 gL-1) were achieved when TB21 was grown on SCBH for 120 h at 30 degrees C. The FAME profile from the wet biomass of TB21 grown on SCBH had desirable amounts of saturated (77.7\%), monounsaturated (7.2\%), and polyunsaturated (2.4\%) methyl esters. Physico-chemical properties of TB21-derived biodiesel were determined, namely, density(0.88 g cm-3), kinematic viscosity (4.1 mm s-2), iodine value (96.82), cetane number (55.31), free fatty acid content (0.15\%), total acid number (0.3 NaOH mg g-1), meeting international (ASTM D6751, EN 14214) and Indian (IS 15607) standards. Thus, the direct one-pot in situ transesterification reaction using wet biomass of variant TB21 strain showed improved production and quality of biodiesel with potential large scale application using the low-cost substrate (SCBH).
}, keywords = {Aspergillus Terreus, Biodiesel, In situ transesterification, Mutant, Statistical optimization, Wet biomass}, issn = {2191-0855}, doi = {10.1186/s13568-024-01772-7}, author = {Bed, Rashmi K. and Kumar, V. Ravi and RaviKumar, Ameeta} } @article {49490, title = {Atroposelective construction of biaryls enabled by a Ni(II)-catalyzed aerobic oxidation strategy}, journal = {ACS Central Science}, volume = {11}, year = {2025}, month = {FEB}, pages = {187-189}, type = {News Item}, abstract = {
Enantioriched biaryls synthesis via aerobic oxidative cross-coupling of arenes involving\ bioinspired oxygen activation by Ni(II).
}, issn = {2374-7943}, doi = {10.1021/acscentsci.5c00169}, author = {Pradhan, Chandini and Punji, Benudhar} } @article {49465, title = {Bacterial nanocellulose (BNC) produced from sorbitol as a sustainable nano-filter for oil-water separation}, journal = {International Journal of Biological Macromolecules}, volume = {284}, year = {2025}, month = {JAN}, pages = {137953}, type = {Article}, abstract = {
Oil spillage is one of the serious problems for sustainable environment. Bacterial nanocellulose (BNC), a hydrophilic and highly porous material holds a promising material for oil-water separation from contaminants. In the present work, a hydrophilic BNC produced from a sorbitol as the carbon source demonstrated the unique porous symmetrical arrangement having an oleophilic property. The BNC membrane obtained showed the highest water holding capacity (WHC) of approximate to 147 gg 1 . The Brunauer-Emmett-Teller (BET) analysis of BNC revealed the unique characteristics of isothermic patterns, having macro sized pores with diameter of 121.3 nm and surface area of 40.6m2/g, which plays a vital role in separation of oil from water by allowing passage of only water through it. The separation efficiency of BNC membrane produced after 5th day of incubation has showed 99.0 \% oil removal compared to 10 and 15th day incubated BNC membranes. a CFD model to investigate the possibilities of BNC membranes and clarify the dynamics of oil-water separation. The nanostructured network of BNC offers a tortuous path for oil molecules while allowing rapid permeation of water, leading to high separation selectivity and flux. Although BNC has been previously studied for oil water separation, this study provides new insights into the use of wet BNC membranes into its pristine state with sorbitol as carbon source for this application.
}, keywords = {bacterial nanocellulose, Macro porous, Oil-water separation, Sorbitol}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2024.137953}, author = {Jagtap, Ashish and Krushnatray, Ajinkya and Dastager, Syed G.} } @article {49307, title = {Base-mediated denitrative C3-alkylation of quinoxaline derivatives}, journal = {Organic \& Biomolecular Chemistry}, volume = {23}, year = {2025}, month = {JAN }, pages = {303-307}, type = {Article}, abstract = {
We have developed a novel base-mediated method for the selective C3-alkylation of quinoxalin-2(1H)-one and N-protected quinoxalin-2(1H)-one using inexpensive, unactivated nitroalkanes. This approach tolerates a wide range of functional groups and supports the synthesis of various bioactive compounds. Gram-scale reactions demonstrate the scalability of the method. The proposed mechanism was validated by control experiments.
}, issn = {1477-0520}, doi = {10.1039/d4ob01571a}, author = {Pansare, Vaibhav Ramachandra and Barsu, Nagaraju} } @article {49606, title = {Benchmarking a dual-scale hybrid simulation framework for small globular proteins combining the CHARMM36 and Martini2 models}, journal = {Journal of Molecular Graphics \& Modelling}, volume = {135}, year = {2025}, month = {MAR}, pages = {108926}, type = {Article}, abstract = {
Multi-scale models in which varying resolutions are considered in a single molecular dynamics simulation setup are gaining importance in integrative modeling. However, combining atomistic and coarse-grain resolutions, especially for coarse-grain force fields derived from top-down approaches, have not been well explored. In this study, we have implemented and tested a dual-resolution simulation approach to model globular proteins in atomistic detail (represented by the CHARMM36 model) with the surrounding solvent in Martini2 coarse-grain detail. The hybrid scheme considered is an extension of a model implemented earlier for mainly lipid and water molecules. We have considered a set of small globular proteins and have extensively compared to atomistic benchmark simulations as well as a host of experimental observables. We show that the protein structural dynamics sampled in the hybrid scheme is robust, and the intra-protein contact maps are reproduced, despite increased fluctuations of the loop regions. A good match is observed with experimental small angle X-ray scattering (SAXS) and NMR observables, such as chemical shifts and (3)J((HN-H alpha))-coupling, with the best match obtained for the chemical shifts. However, deviations are observed in the water dynamics and protein-water interactions which we attribute to the limitation of solvent screening in the coarse-grain force field. The computational speed-up achieved is about 2-3 times compared to an all-atom system. Overall, the hybrid model is able to retain the main features of the underlying atomistic conformational landscape with a two-fold speed-up in computational cost.
}, keywords = {Hybrid simulations, Martini force-field, Mixed models, Multi-scale simulations}, issn = {1093-3263}, doi = {10.1016/j.jmgm.2024.108926}, author = {Yadav, Manjul and Kharche, Shalmali and Prakash, Shikha and Sengupta, Durba} } @article {49545, title = {Bifunctional nanoelectrocatalyst: semi-amorphous cobalt tungstate-based nanocomposites surpassing amorphous and crystalline counterparts}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {FEB}, pages = {15319-15332}, type = {Article}, abstract = {
Electrocatalytic water splitting to hydrogen and oxygen is considered to be one of the significant routes for future renewable energy conversion. Therefore, the development of unique, efficient, and cost-effective bifunctional electrocatalysts, which can perform both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), is critical for the accessible utilization of renewable energy. The increasing overall efficiency of the water-splitting reaction is pivotal for sustainable energy conversion and hydrogen production. Herein, we present a facile solution-based synthesis route to control the crystallinity of the cobalt tungstate (CoWO4) nanomaterials to amorphous, semiamorphous, and crystalline phases and further exploit these nanomaterials as bifunctional electrocatalysts for the HER, OER, and overall electrochemical water splitting reaction. Notably, the semiamorphous cobalt tungstate nanomaterials show a remarkable surface area of approximately 150 m(2)/g, the highest reported for CoWO4-based materials, and demonstrated superior activity for both the OER and HER and outstanding stability over the amorphous and crystalline counterparts. Notably, the SemiAmp||SemiAmp electrolyzer demonstrated a better performance for overall water splitting than the commercial RuO2||Pt/C electrolyzer.
}, keywords = {amorphous, CoWO4, electrocatalyst, HER, Nanocomposite, OER, water splitting}, issn = {1944-8244}, doi = {10.1021/acsami.4c19097}, author = {Dev, Sahil and Nagappan, Sreenivasan and Kundu, Subrata and Mukherjee, Shatabdi Porel} } @article {49578, title = {Br{\o}nsted basic TMMM-hydrotrope combined catalytic system for the synthesis of diverse dihydropyranochromenes in water at ambient temperature}, journal = {New Journal of Chemistry}, volume = {49}, year = {2025}, month = {MAY}, pages = {8131-8142}, type = {Article}, abstract = {
This work describes the synthesis of a range of bioactive chromenes using a solid Br \& oslash;nsted organic base called {\textquoteleft}tris(morpholinomethyl)mesitylene{\textquoteright} (TMMM). TMMM was obtained in high yields by treating tris(bromomethyl)mesitylene (TBMM) with morpholine in the presence of K2CO3 in acetonitrile at RT. It was characterized using 1H NMR and 13C NMR spectroscopy. We developed a Br \& oslash;nsted base hydrotrope combined catalytic system (BBHC) by combining TMMM and a hydrotrope (sodium p-toluene sulphonate: NaPTS) for the cascade-type Knoevenagel-Michael addition reactions of various aldehydes and malononitrile with kojic acid, 4-hydroxy coumarin, dimedone, and lawsone in water. The methodology offers diversity-oriented synthesis (DOS) of dihydropyranochromenes in high yields. The BBHC catalytic system showed at least four times recyclability without appreciable loss of its activity. TMMM is an odorless, solid organic base that can be easily handled and is resistant to air and moisture. As TMMM is a solid base, it can reduce evaporation losses, improve safety and allow its easy recovery and reuse. TMMM acts as a powerful Br \& oslash;nsted base that activates reactants, while an aqueous solution of NaPTS acts as a hydrotrope that increases the solubility of organic compounds in water.
}, issn = {1144-0546}, doi = {10.1039/d5nj00663e}, author = {Rajmane, Archana and Jadhav, Aishwarya and Patil, Nita and Kumbhar, Arjun} } @article {49448, title = {Calcination temperature impacting the structure and activity of CuAl catalyst in aqueous glycerol hydrogenolysis to 1,2-propanediol}, journal = {Topics in Catalysis}, volume = {68}, year = {2025}, month = {FEB}, pages = {318-331}, type = {Article}, abstract = {
This study investigated the impact of calcination temperature on the structural properties of CuAl catalyst which was found to be a robust nano-structured catalyst calcined directly without ramping at 400 {\textdegree}C and performed exceedingly well for aqueous phase hydrogenolysis of glycerol. Various samples of CuAl catalysts were prepared by co-precipitation at Cu: Al molar ratio 1:1 and were calcined at different temperatures (300{\textendash}1000 {\textdegree}C). The obtained catalysts were reduced at 200 {\textdegree}C before their activity testing for glycerol hydrogenolysis reaction. To correlate the structure-activity, the catalysts were thoroughly characterized by XRD, XPS, BET, TEM, H2-TPR, NH3-TPD, and pyridine FTIR. It was observed that with an increase in calcination temperature from 300 to 700\ {\textdegree}C, the glycerol conversion also increased from 47 to 55\% with 93\% selectivity to 1,2-PDO. The better performance of these catalysts was mainly related to the predominant presence of Br{\o}nsted acid sites, an appropriate ratio of the Cu0\ to CuAl2O4 + CuO (0.33) and CuAl2O4\ to CuO phases (0.35), the existence of Cu2O phase and the smaller Cu0\ particle size. It was shown that altering the ramping rate for the calcination temperature of 400\ {\textdegree}C impacted the catalytic activity. The CuAl-400 (DC) (direct calcined) catalyst exhibited a maximum glycerol conversion of 60\%.
}, doi = {https://doi.org/10.1007/s11244-024-02032-5}, author = {Mane, Rasika and Potdar, Aparna and Jeon, Yukwon and Rode, Chandrashekhar} } @article {49569, title = {Carbon capture from flue gases using an integrated membrane skid}, journal = {Journal of Membrane Science}, volume = {718}, year = {2025}, month = {MAR}, pages = {123674}, type = {Article}, abstract = {
A prototype spiral-wound (SW) membrane module with a commercial-size diameter of 8 {\textquoteleft}{\textquoteright} and a membrane area of 35 m(2) was fabricated using a new thin-film-composite facilitated transport membrane (FTM) scaled up to 21 {\textquoteleft}{\textquoteright} in width by a continuous roll-to-roll coating process. This SW module was tested with an actual coal flue gas at the Center for Applied Energy Research (CAER) at the University of Kentucky, which exhibited an average CO2 permeance of 4269 GPU with a CO2/N-2 selectivity of 165 and remained stable for 100 h. The permeance and selectivity results are consistent with those determined from lab and scale-up flat-sheet samples. An integrated membrane skid was then constructed, where 2 SW membrane modules were arranged to form an enriching cascade. The 8 {\textquoteleft}{\textquoteright}-diameter prototype SW module previously tested at CAER was installed as the primary CO2 capture stage, while a smaller SW module (5 {\textquoteleft}{\textquoteright} diameter and 12 m(2) membrane area) was used to further enrich the CO2 to \>95\% purity. By using a simulated coal flue gas (13\% CO2), the skid was operated at steady-state for 800 h with 91.0\% of the CO2 removed from the flue gas, delivering 1.33 tonne/day CO2 product at 95.5\% dry purity. The bench skid was then installed at the National Carbon Capture Center (NCCC), Wilsonville, AL and tested with an actual natural gas (NG) flue gas (8.6\% CO2). 90-99\% CO2 capture degrees were demonstrated during the parametric testing, and the skid was operated at steady state for 500 h cumulatively with 91.0\% CO2 capture and \>95\% CO2 purity. A simulated natural gas combined cycle (NGCC) flue gas (4.3\% CO2) slipstream was further provided by diluting the NG flue gas with air, and 90-99\% CO2 capture degrees were also achieved with dry CO2 purities all above 95\%. All these capture degrees and CO2 purities were in good agreement with their model predictions.
}, keywords = {Actual flue gas, carbon capture, Field trial, Integrated membrane skid, Membrane module}, issn = {0376-7388}, doi = {10.1016/j.memsci.2024.123674}, author = {Yang, Yutong and Han, Yang and Prasad, Babul and Pang, Ruizhi and Zou, Changlong and Ho, W. S. Winston} } @article {49510, title = {Catalyst and transition-metal free 1,6-conjugate addition of azobisisobutyronitrile: access to isobutyronitrile containing diarylmethanes}, journal = {Organic \& Biomolecular Chemistry}, volume = {23}, year = {2025}, month = {APR}, pages = {3956-3966}, type = {Article}, abstract = {
A catalyst and transition-metal free 1,6-conjugate addition of azobisisobutyronitrile to para-quinone methides for the synthesis of isobutyronitrile containing diarylmethanes has been achieved. This protocol enables the synthesis of isobutyronitrile containing diarylmethanes in good yields and with a broad substrate scope. This is the first example wherein azobisisobutyronitrile has been used as a cyanide source for 1,6-conjugate addition under catalyst and metal-free conditions.
}, issn = {1477-0520}, doi = {10.1039/d5ob00012b}, author = {Mamale, Ajay G. and Ghodake, Balaji M. and Gonnade, Rajesh G. and Bhattacharya, Asish K.} } @article {49592, title = {Catechin-capped silver-doped titanium dioxide nanoparticle enhanced photocatalytic toxic dye degradation}, journal = {Frontiers in Chemistry}, volume = {13}, year = {2025}, month = {APR}, pages = {1576504}, type = {Article}, abstract = {
Doping-associated surface modification is a powerful strategy to enhance the photocatalytic potential of n-type semiconductor nanomaterials. Silver (Ag) is one of the most effective dopants that can result in the retardation of the electron hole recombination-generating Schottky barrier at the TiO2 interface with a simultaneous extension of absorption to the visible region. This work presents a study on the effect of catechin, a bioactive principle polyphenol compound found in various plants, on the synthesis, Ag-doping and stabilization of TiO2 nanoparticles (TiO2NPs). The nanoparticles were irregular in shape with sizes ranging from 19 to 30 nm. Ag-TiO2NPs were fabricated using TiO2 as a precursor and 1\%, 3\%, and 5\% AgNO3 as a doping agent. The average particle size of 1\%Ag-TiO2NPs, 3\%Ag-TiO2NPs, and 5\%Ag-TiO2NPs was 27.3 +/- 7.5 nm, 29.8 +/- 9.6 nm, and 25.0 +/- 9.0 nm, respectively. High-resolution transmission electron microscopy (HRTEM) showed lattice fringes with an interplanar spacing of 0.23 nm corresponding to the Ag (111) plane in addition to the presence of the anatase phase of TiO2. Fourier transform infrared (FTIR) spectra exhibited a broad peak around 400-800 cm-1 that was attributed to Ti-O-Ti stretching vibrations which was slightly shifted in Ag-TiO2NPs due to changes in the local bonding environment around Ti atoms caused by interactions with Ag. Catechin loading in the TiO2NPs and Ag-TiO2NPs was between 1.55 and 3.3 wt. \%. TiO2NPs, 1\%Ag-TiO2NPs, 3\%Ag-TiO2NPs, and 5\%Ag-TiO2NPs exhibited superior photocatalytic degradation of methylene blue dye up to 78\%, 87\%, 91\%, and 92\%, respectively, and RhB dye up to 92\%, 94\%, 97\% and 99\%, respectively, with a pseudo-first-order reaction kinetics. Furthermore, its recyclability was also demonstrated for three cycles. The simplicity of fabrication and superior photocatalytic performance of TiO2 demonstrated here make this green route advantageous for environmental applications to treat dye contaminated effluent as well as for numerous other applications.
}, keywords = {catechin, green synthesis, methylene blue dye, Photocatalysis, Rhodamine B, silver doping, titanium dioxide nanoparticles}, issn = {2296-2646}, doi = {10.3389/fchem.2025.1576504}, author = {Ghosh, Sougata and Imboon, Tanawat and Layek, Rashbihari and Salunke, Gayatri and Parihar, Vijay Singh and Khumphon, Jeerawan and Webster, Thomas J. and Sutar, Santosh and Kityakarn, Sutasinne and Issro, Chaisak and Khamboonrueang, Dusadee and Thongmee, Sirikanjana} } @article {49499, title = {Ce[N(SiMe3)2]3(THF)3-catal yzed hydroboration of CO2, esters and epoxides with pinacolborane: selective synthesis of methanol in multigram scale}, journal = {Chemistry-A European Journal}, volume = {31}, year = {2025}, month = {MAR}, type = {Article}, abstract = {
In this work, we have reduced CO2 with HBpin to afford borylated methanol product selectively in similar to 99 \% yield using Ce[N(SiMe3)(2)](3)(THF)(3) as a catalyst. This led to multigram scale isolation of methanol obtained from CO2 reduction via the hydrolysis of borylated methanol, this establishes the potential of Ce[N(SiMe3)(2)](3)(THF)(3) as an efficient homogeneous catalyst for the bulk scale methanol synthesis. A practical application of this catalytic system was also shown by reducing CO2-containing motorbike exhaust efficiently and selectively. Further, C-O bond activation of esters and epoxides using HBpin and 1-2 mol \% of Ce[N(SiMe3)(2)](3)(THF)(3) at 60 degrees C afforded the borylated alcohols in good to excellent yields, which can easily be hydrolysed to the eco-friendly corresponding alcohol. The stoichiometric experiments were performed to prove the formation of in-situ generated cerium hydride [Ce]-H as an active catalyst.
}, keywords = {Cerium, CO2 reduction, Epoxide, Ester, Hydroboration, Lanthanides}, issn = {0947-6539}, doi = {10.1002/chem.202403449}, author = {Hossain, Md Jabed and Shah, Brij Kumar and Dash, Soumya Ranjan and Vanka, Kumar and Khan, Shabana} } @article {49548, title = {Characterization of novel phages KPAФ1, KP149Ф1, and KP149Ф2 for lytic efficiency against clinical MDR Klebsiella pneumoniae infections}, journal = {Microbial Pathogenesis}, volume = {202}, year = {2025}, month = {MAY}, pages = {107440}, type = {Article}, abstract = {
Phage therapy offers a promising approach to the increasing antimicrobial resistance of Klebsiella pneumoniae. This study highlights three novel lytic bacteriophages-KPAc1, KP149c1, and KP149c2-targeting multidrugresistant (MDR) K. pneumoniae. These phages belong to the Myoviridae and Podoviridae family and demonstrate their efficacy and stability across a wide range of temperatures (up to 60 degrees C) and pH levels (pH 4 to 11). Genomic analysis reveals that they are free from virulence, toxicity, and antimicrobial resistance genes, making them promising candidates for therapeutic use. Among these phages, KPAc1 showed the highest lytic activity with a 26.15\% lysis against MDR K. pneumoniae isolates. Additionally, a phage cocktail comprising all three phages improved lytic efficacy to 32.30\%. This study also examined the antimicrobial resistance profiles of K. pneumoniae isolates, emphasizing the critical need for alternative treatments. By effectively targeting resistant strains, these phages offer a potential candidacy to be used as a viable alternative or a complementary antimicrobial agent to traditional antibiotics, opening up the possibility for advanced phage-based therapies. The promising results from this study pave the way for developing new treatments that could significantly improve patient care and outcomes from the growing issue of resistant bacterial infections.
}, keywords = {Antimicrobial resistance, Bacteriophage, MDR-Klebsiella pneumoniae, Phage cocktail, Phage therapy}, issn = {0882-4010}, doi = {10.1016/j.micpath.2025.107440}, author = {Dandekar, Shraddha S. and Thanikkal, Sinta and Londhe, Arti and Bhutada, Pankhudi and Saha, Ujjayni and Pawar, Shubhankar and Samson, Rachel and Dharne, Mahesh and Saroj, Sunil D. and Koratkar, Santosh} } @article {49540, title = {Charge transfer effect on relaxation mechanism in hydrated pyrrole-water systems following N-2s ionization}, journal = {ChemPhysChem}, volume = {26}, year = {2025}, month = {APR}, type = {Article}, abstract = {
This study investigates the relaxation mechanisms of pyrrole and pyrrole-water clusters (C4H5N-(H2O)n, where n=0-3 \${n = 0 - 3}\$ ) following N-2s ionization of pyrrole. Using various theoretical methods, we focus on the influence of water molecules and charge transfer on these non-radiative relaxation pathways. Our simulations included pyrrole solvated in 494 explicit water molecules equilibrated at 300 K and also employed a polarizable continuum model (PCM) to make the system more realistic and gain additional insights. In hydrated environments, the hydrogen bonding network between pyrrole and surrounding water molecules facilitates enhanced non-radiative relaxation pathways following inner valence ionization. Since these are hydrogen bonding systems, we have explored the possibility of proton transfer, which could occur in conjunction with other electronic decay processes.
}, keywords = {ab initio-calculations, auger decay, charge transfer, proton transfer, pyrrole}, issn = {1439-4235}, doi = {10.1002/cphc.202400962}, author = {Kumar, Ravi and Bhattacharjee, Kankana and Ghosh, Aryya and Vaval, Nayana} } @article {49607, title = {Chiroptical amplification of [7]-helicene nanographene by additional helical chirality}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {FEB }, pages = {e202420767}, type = {Article}, abstract = {
Nanographenes have captivated scientific interest since the pioneering discovery of graphene. Recently, attention has shifted towards exploring chiral and nonplanar nanographenes, for their distinct optical, chiroptical, and electronic properties. Despite the growing acceptance of helicenes, the research on inducing helical chirality on pi-extended derivatives to boost chiroptical properties remains unattended. In our study, we introduce a new pi-extended [7]-helicene resulting from the condensation of diamines with 3,6-dibromophenanthrene-9,10-dione, complemented by two hexabenzocoronene arms in the periphery. Notably, the nanographene containing binaphtho-[1,4]diazocine, compared to the corresponding phenazine, exhibits a remarkable average 2.5, 5, and 10-fold enhancements in quantum yield, dissymmetry factor, and brightness, respectively, when measured in five different solvents. These improvements underscore the significance of the induced helical chirality by the antiaromatic binaphtho-[1,4]diazocine in influencing the chiroptical properties of the helical nanographene. Our research represents a significant stride toward unlocking the potential of pi-extended helicenes and lays the groundwork for further exploration in designing and synthesizing new chiral nanomaterials.
}, keywords = {circularly polarised luminescence, dissymmetry factor, helicene, nanographene, quantum yield}, doi = {10.1002/anie.202420767}, author = {Dongre, Sangram D. and Venugopal, Geethu and Kumar, Viksit and Badrinarayan Jadhav, Ashok and Kumar, Jatish and Babu, Sukumaran Santhosh} } @article {49501, title = {Confined impinging jet reactor for high-throughput continuous flow mononitration of salicylic acid}, journal = {Organic Process Research \& Development}, volume = {29}, year = {2025}, month = {JAN}, pages = {479-489}, type = {Article}, abstract = {
Novel approach is reported for highly efficient continuous mononitration of salicylic acid using confined impinging jet reactor (CIJR) with a vent. Initially, controlled semibatch reactions are optimized to achieve complete conversion and formation of mononitro products with very high selectivity for 5-nitrosalicylic acid (5-NSA). Further, the combination of computational fluid dynamics simulations and experiments is employed to optimize CIJR design and operating flow conditions, suitable to yield only mononitro products with excellent control over mixing, heat transfer, and liberation of fumes during continuous flow reaction. Detailed analysis of internal flow patterns, rate of heat generation, and concentration distribution inside the CIJR facilitated the optimization of present exothermic reaction in a safe manner. In less than a minute, complete salicylic acid (SA) conversion with good yield and better selectivity for 5-NSA is achieved using the CIJR. Safety and clogging issues are addressed effectively, even at a relatively lower mole ratio (1:5) of SA:acetic acid (AcOH). The present approach is quite scalable using the numbering-up strategy, with advantages viz. nonfouling, high throughput, and the small footprint of CIJR.
}, keywords = {computational fluid dynamics, confined impinging jet reactor, high-throughput synthesis, salicylic acid nitration}, issn = {1083-6160}, doi = {10.1021/acs.oprd.4c00467}, author = {Khan, Muzammilanwar S. and Shaikh, Tabrez R. and Kulkarni, Sphurti P. and Patil, Abhishek A. and Kulkarni, Amol A.} } @article {49608, title = {Continuous flow solvent-free and catalyst-free mechanochemical production of rhodamine B dyes and their derivatives}, journal = {Chemical Communications}, volume = {61}, year = {2025}, month = {JAN }, pages = {2131-2134}, type = {Article}, abstract = {
In this communication, we have described a simple and efficient, catalyst free and solvent-free protocol for the continuous flow synthesis of rhodamine B dyes developed from 3-diethyl amino phenol and phthalic anhydride. Nearly 95\% conversion was achieved within 12 min using a jacketed single screw reactor. This method is further used for the synthesis of six derivatives with 70-84\% yield, which can be compared to 85\% yield from a 1-hour long batch synthesis involving a catalyst.
}, issn = {1359-7345}, doi = {10.1039/d4cc04197f}, author = {Purohit, Mukesh and Shaikh, Tabrez Rafique and Kulkarni, Amol A.} } @article {49609, title = {Continuous flow synthesis of metal nanowires: protocols, engineering aspects of scale-up and applications}, journal = {Materials Horizons}, volume = {12}, year = {2025}, month = {JAN}, pages = {364-400}, type = {Review}, abstract = {
This review comprehensively covers the translation from batch to continuous flow synthesis of metal nanowires (i.e., silver, copper, gold, and platinum nanowires) and their diverse applications across various sectors. Metal nanowires have attracted significant attention owing to their versatility and feasibility for large-scale synthesis. The efficacy of flow chemistry in nanomaterial synthesis has been extensively demonstrated over the past few decades. Continuous flow synthesis offers scalability, high throughput screening, and robust and reproducible synthesis procedures, making it a promising technology. Silver nanowires, widely used in flexible electronics, transparent conductive films, and sensors, have benefited from advancements in continuous flow synthesis aimed at achieving high aspect ratios and uniform diameters, though challenges in preventing agglomeration during large-scale production remain. Copper nanowires, considered as a cost-effective alternative to silver nanowires for conductive materials, have benefited from continuous flow synthesis methods that minimize oxidation and enhance stability, yet scaling up these processes requires precise control of reducing environments and copper ion concentration. A critical evaluation of various metal nanowire ink formulations is conducted, aiming to identify formulations that exhibit superior properties with lower metal solid content. This study delves into the intricacies of continuous flow synthesis methods for metal nanowires, emphasizing the exploration of engineering considerations essential for the design of continuous flow reactors. Furthermore, challenges associated with large-scale synthesis are addressed, highlighting the process-related issues. This review comprehensively covers the translation from batch to continuous flow synthesis of metal nanowires (i.e., silver, copper, gold, and platinum nanowires) and their diverse applications across various sectors.
}, issn = {2051-6347}, doi = {10.1039/d4mh00781f}, author = {Sonawane, Jayesh R. and Jundale, Rajashri and Kulkarni, Amol A.} } @article {49512, title = {Continuous flow telescopic synthesis of 3-methoxy propiophenone by the grignard reaction}, journal = {Organic Process Research \& Development}, volume = {29}, year = {2025}, month = {JAN}, pages = {450-459}, type = {Article}, abstract = {
The synthesis of 3-methoxypropiophenone 1, a crucial intermediate in the production of the analgesic tapentadol hydrochloride, was investigated using a multistep continuous flow process. The approach is based on the Grignard reaction. A series of continuously stirred tank reactors (CSTRs) were employed: the first reactors facilitated the continuous generation of Grignard reagents 3, which then reacted with propionitrile in the next CSTR to yield 1. This was followed by quenching, neutralization, and phase separation, conducted under varying temperatures and residence times. When compared to a 50\% yield from an optimized batch synthesis protocol, a continuous flow synthesis helped achieve an 84\% yield of the desired product in a much shorter reaction time. A kinetic model was developed to predict the Grignard reagent formation and product yield, revealing that the mass transfer effect is insignificant at a higher stirring rate. The approach is highly scalable for the synthesis of pharmaceutical intermediates.
}, keywords = {batch and continuous reaction, flow chemistry, Grignard reaction, heterogeneous kinetics}, issn = {1083-6160}, doi = {10.1021/acs.oprd.4c00447}, author = {Wankhede, Pranali and Kulkarni, Amol A.} } @article {49497, title = {Continuous flow β-zeolite catalysed regioselective alkylation of naphthols using alcohols for synthesis of peroxynaphthalen-2(1H)-one, Azidonaphthalen-2(1H)-one and Fluoronaphthalen-2(1H)-one derivatives}, journal = {Asian Journal of Organic Chemistry}, volume = {14}, year = {2025}, month = {APR}, type = {Article}, abstract = {
Functionalized naphthols are prominent scaffolds in organic synthesis and materials chemistry. Herein, we demonstrated continuous flow alkylation of alpha- and beta-naphthols by using various primary and secondary benzylic alcohols in the presence of environmentally benign granular beta-zeolite as a reusable catalyst. For a variety of beta-naphthols, the respective alkylated products with good regioselectivity were obtained in high yields under mild reaction conditions. This protocol proceeded via the classical Friedel-Crafts type alkylation process and generated stable carbocations as intermediates. Applying this protocol, versatile naphthol derivatives have been synthesized using primary and secondary benzylic alcohols (50 and 44 examples in batch and continuous flow process, respectively), with good yields. Key advantages of this process includes rapid and efficient transformation, facilitates gram-scale synthesis, and generates water as the sole by-product. The most significant advantage is the continuous reusability of granular beta-zeolite, which further emphasizes the sustainability of the method. The application of alkylated naphthols for quaternary functionalization was demonstrated through peroxidation, azidation, and halogenation reactions under the continuous flow module, which yielded the respective peroxynaphthalen-2(1H)-one, azidonaphthalen-2(1H)-one and fluoronaphthalen2(1H)-one derivatives.
}, keywords = {continuous flow, Multigram Synthesis, Reusable beta-zeolite, Sustainable Appraoch, Transition metal free}, issn = {2193-5807}, doi = {10.1002/ajoc.202400658}, author = {Londhe, Gokul and Bokade, Vijay and Gnanaprakasam, Boopathy} } @article {49557, title = {Cyclopropane containing triterpenoids, cycloartenone, and cycloartenol: isolation, chemical transformations, and anticancer studies}, journal = {ChemistrySelect}, volume = {10}, year = {2025}, month = {MAR}, pages = {e202403698}, type = {Article}, abstract = {
Cycloartenone and cycloartenol, two plant-derived triterpenoids possessing cyclopropane ring were isolated from the latex of Artocarpus heterophyllus (jackfruit). Cycloartenol was chemically modified to synthesize dihydrocycloartenol via acetylation and deacetylation methodology followed by hydrogenation. Hydroxyl group present in the cycloartenol was also employed for the nitro benzoate formation. All the isolated and synthesized compounds were assayed against MCF7 breast cancer cell line for their anticancer properties.
}, keywords = {Anticancer studies, Artocarpus heterophyllus, Chemical transformations, Cycloartenol, Cycloartenone}, issn = {2365-6549}, doi = {10.1002/slct.202403698}, author = {Paul, Sayantan and Mandal, Kartik and Santra, Manas K. and Bhattacharya, Asish K.} } @article {49584, title = {DABCO dicationic ionic solid supported polymer (DDIS@PS) mediated synthesis of diverse 2-amino-4H-chromenes and xanthenes: a cascade Knoevenagel-Michael approach}, journal = {New Journal of Chemistry}, volume = {49}, year = {2025}, month = {FEB}, pages = {3644-3653}, type = {Article}, abstract = {
This work documented the synthesis of diverse bioactive polysubstituted 2-amino-4H-chromenes using a DABCO dicationic ionic solid (DDIS) supported on Merrifield resin (DDIS@PS) as a catalyst. The catalyst is characterized by FT-IR, SEM-EDX, and TGA analysis. The resulting PS contains supported DABCO units with free tertiary nitrogen functionality on their external surface. The catalyst effectively catalyzed cascade Knoevenagel-Michael addition reactions of various aldehydes and active methylene compounds (malononitrile and phenyl sulfonyl acetonitrile) with dimedone, yielding good to excellent results in water or ethanol at room temperature or 78 degrees C. The time required for the reaction of phenyl sulfonyl malononitrile is comparatively very high compared to malononitrile. The synthesis of bis-dimedone derivatives and 1,8-dioxo-octahydro-xanthenes was also achieved in both solvents at RT and 78 degrees C, with high yields. The catalyst demonstrated greater efficiency and maintained its activity over at least five cycles.
}, issn = {1144-0546}, doi = {10.1039/d4nj04366a}, author = {Rajmane, Archana and Patil, Nita and Patil, Anuradha and Kamble, Sumit and Kumbhar, Arjun} } @article {49630, title = {[DBUH][HSO4]-catalyzed solvent-free synthesis of 1,5-benzodiazepine derivatives: bioevaluation and in silico molecular docking study}, journal = {Current Organic Chemistry}, volume = {29}, year = {2025}, month = {JAN}, pages = {226-237}, type = {Article}, abstract = {
Here, we report the solvent-free one-pot multicomponent synthesis of 4-substituted-1,5-benzodiazepine derivatives from O-phenylenediamine, aromatic aldehydes, and dimedone using [DBUH][HSO4] as a catalyst in excellent yields. This process was carried out in search of a reusable, easily accessible, affordable, and efficient catalyst. 1,5-Benzodiazepines demonstrate a new family of good inhibitors with potent anti-mycobacterial properties. The most promising compounds in the present series are 4c, 4i, and 4l which showed excellent activity and inhibited the growth of both MTB H37Ra and M. bovis BCG strains with lower MICs. The most active compounds were further studied for their cytotoxicity against cell lines MCF-7, A549, HCT116, and THP-1 by MTT assays and the compounds were found to be non-toxic. The fact that none of these compounds work against either Gram-positive or Gram-negative bacteria suggests that they are only effective against MTB. The in silico docking of the molecules against mycobacterial enoyl reductase, InhA enzyme could provide well-clustered solutions and have given valuable insights into the thermodynamic elements governing the binding affinities. The findings of this investigation unmistakably point to the discovery of extremely specific and selective MTB inhibitors, which can now be investigated further in search of possible anti-tubercular drugs.
}, keywords = {1, 5-benzodiazepine, Antitubercular activity, Molecular docking, multicomponent reactions, [DBUH][HSO4]}, issn = {1385-2728}, doi = {10.2174/0113852728315680240815095102}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Nagargoje, Amol A. and Sarkar, Dhiman and Khedkar, Vijay M. and Shingate, Bapurao B.} } @article {49587, title = {Deciphering the intricate mechanisms behind the selective oxidation of methane to C1 and C2 oxygenates over FeAu/γ-Al2O3 catalysts}, journal = {Chemical Engineering Journal}, volume = {512}, year = {2025}, month = {MAY}, pages = {162510}, type = {Article}, abstract = {
In this work, we demonstrate an eco-benign synthesis protocol for preparing gold nanoparticles and the role of the strong interaction between gold nanoparticles and iron oxide in FeAu/gamma-Al2O3 catalysts that render it an anionic (Au delta-) character while tailoring them in a smaller size. The multifunctional FeAu/gamma-Al2O3 catalyst selectively produces ethanol (95 \% selectivity, similar to 240 mu mol(-1) cat) at a mild temperature of 75 degrees C without the addition of co-reactants during liquid phase methane oxidation with molecular oxygen. Conversely, Au/gamma-Al2O3 and Fe/gamma-Al2O3 catalysts exhibited high selectivity for CH3OH and HCHO. A high dispersion accompanied by strong electronic interaction between the Au delta{\textendash}FeOx, as corroborated by diverse techniques, enables methane activation across the interface and coupling on the gold nanoparticles, which are responsible for the markedly improved formation of ethanol. Furthermore, in situ DRIFTS studies and DFT investigations point to a reaction mechanism of coupling of CH2OH and CH3 intermediates as the most likely route for ethanol formation.
}, keywords = {Anionic gold catalysts, Au-FeOx synergism, C-H bond activation, Ethanol, Methane oxidation, Methanol}, issn = {1385-8947}, doi = {10.1016/j.cej.2025.162510}, author = {Prabu, Marimuthu and Manikandan, Marimuthu and Rengam, B. Sathya Sai and Ramakrishnan, Archana and Raja, Abhishekram and Urkude, Rajashri R. and Ghosh, Biplab and Varghese, Jithin John and Raja, Thirumalaiswamy} } @article {49421, title = {Depolymerization of waste polycarbonates to value-added products}, journal = {ChemSusChem}, volume = {18}, year = {2025}, month = {JAN}, type = {Article}, abstract = {
Additive free aminolysis method developed for the depolymerization/upcycling of polycarbonates. We report here chemical recycling of polycarbonate under ambient conditions to get its monomer bisphenol A, monoaminocarbamate and biscarbamates in 1 : 2 : 1 ratio respectively. By employing the secondary amine as the aminating reagent, facilitates the depolymerization to work under additive/catalyst free conditions. The developed method deals with depolymerization of waste polycarbonates and works even with late-stage amine derivatives such as amoxapine and desloratadine which are drugs molecules known to treat neurotic disorders and allergies respectively. The reaction can be scaled up and works with similar efficacy which depicts the efficiency of the depolymerization of wasteend-of-life polycarbonate plastic waste. The biscarbamate and bisphenol-A was further subjected for the post functionalization to obtain amides and phenol in good yields. Developed additive/catalyst free aminolysis of waste polycarbonates to carbamates and monomer BPA at ambient conditions. Variety of secondary amines were screened including the late stage amine derivatives like amoxapine and desloratadine which delivered the expected products successfully. Later the developed methodology was even applied for the different end-of-life polycarbonates with the secondary amine and achieved the depolymerization without any obstacle. Further carried out the scale up reaction and derivatization of carbamates and BPA to amide and phenol synthesis. image
}, keywords = {Aminolysis, carbamates, depolymerization, End-of-life, Polycarbonate}, issn = {1864-5631}, doi = {10.1002/cssc.202400756}, author = {Padhi, Ganeshdev and Pansare, Vaibhav Ramachandra and Bajpai, Priyam and Krishna, Gamidi Rama and Vanka, Kumar and Barsu, Nagaraju} } @article {49484, title = {Design and synthesis of C-α-D-mannopyranoside linked mesoporous silica nanoparticles}, journal = {Journal of Chemical Sciences}, volume = {137}, year = {2025}, month = {MAR }, pages = {21}, type = {Article}, abstract = {
Mannose functionalized mesoporous silica nanoparticles (MSNs) offer a promising approach for developing more targeted, effective, and safer cancer therapies. For many of the applications, immobilization of carbohydrates like mannose onto MSNs is a crucial aspect, and in most cases, mannose moieties are connected through O-glycosidic linkages that are susceptible to acidic/enzymatic hydrolysis. To generate a stable mannose-functionalized MSN, we designed a novel C(14)-alpha-mannosylated tetradeca-1-yne. The key steps involved in the synthesis of C-mannosylated alkyne are C1-alkynylation of tri-O-acetyl-D-glucal with 1-trimethylsilyl-tetradec-1-yne, followed by stereoselective dihydroxylation and the isomerization of the internal triple bond to a terminal position. This mannose ligand was then immobilized onto azidopropyl-functionalized SBA-15 through the Cu(I)-catalyzed azide-alkyne click (CuAAC) reaction. Various physical techniques such as low-angle powder XRD, N-2 adsorption isotherms (BET), Fourier transform infrared (FTIR), high-resolution transmission electron microscopy (HRTEM), field emission scanning electron microscopy (FE-SEM), and thermogravimetric analysis (TGA) have been employed to characterize this C-mannosyl SBA-15 silica matrix. We evaluated the binding ability of C-mannosyl SBA-15 nanoparticles by using fluorescein-labelled Con-A as a target protein.
}, keywords = {C-mannoside, Click reaction, mannose specific proteins, Mesoporous silica nanoparticles, Zipper reaction}, issn = {0974-3626}, doi = {10.1007/s12039-024-02338-7}, author = {Nechooli, Hemanth K. and Ramtenki, Vilas and Kumar, Chepuri V. Suneel and Prasad, V. B. L. and Ramana, V. Chepuri} } @article {49611, title = {Design and synthesis of PtPdNiCoMn high-entropy alloy electrocatalyst for enhanced alkaline hydrogen evolution reaction: a theoretically supported predictive design approach}, journal = {Advanced Functional Materials}, volume = {35}, year = {2025}, month = {APR}, type = {Article}, abstract = {
Electrocatalytic hydrogen generation requires a cutting-edge, multifunctional electrocatalyst with abundant active sites to drive multielectron transfer reactions. High entropy alloys (HEA) are complex five or more-element alloy systems with high configurational entropy which makes them unique materials for next-generation electrocatalysts. Here, in this work, based on new screening guidelines for catalyst selections that combine density-functional theory calculated Gibbs formation-enthalpy with bond length and electronegativity variance, a novel HEA electrocatalyst consisting of five elements, namely, Pt, Pd, Ni, Co, and Mn is designed. By simple room temperature electrodeposition, the designed catalyst is prepared and its hydrogen evolution reaction (HER) is explored and validated through experimental and theoretical approaches. The HEA demonstrated a superior HER activity with an overpotential of 22.6 mV at -10 mA cm-2 which outperforms Pt/C commercial catalyst. No evident degradation of the material is detected even after 100 hours of continuous operation under high current density. Moreover, the HEA has shown exceptional performance in harsh electrolyte conditions such as in simulated seawater and actual seawater. Remarkably, the density-functional theory calculated small Gibbs formation-enthalpy (approximate to 0 eV) compared to Pt/C places the new HEA near the apex of Trasatti{\textquoteright}s model of Volcano plot, which is also suggestive of superior HER activity.
}, keywords = {DFT, electrocatalysts, Electronic Structure, HER, high-entropy alloys}, issn = {1616-301X}, doi = {10.1002/adfm.202418644}, author = {Chandran, M. Athira and Dutta, Pritha and Singh, Prashant and Singh, Ashutosh K. and Prasad, Bhagavatula L. V.} } @article {49601, title = {A detailed study on heat of reaction and heat rate determination of nitrobenzene hydrogenation to aniline reaction using power compensation reaction calorimeter}, journal = {Process Safety Progress}, volume = {44}, year = {2025}, month = {MAR}, pages = {132-141}, type = {Article}, abstract = {
The present study reports experimental heat of reaction and heat rate data of nitrobenzene hydrogenation to aniline reaction with process parameter variation. A high-pressure isothermal power compensation reaction calorimeter was used for this work. A systematic and step-by-step procedure is also reported to determine the heat of reaction and heat rate for a highly exothermic reaction. The sensitivity of experimental molar heat of reaction (kJ/mol) and evolved heat rate (W) values for nitrobenzene hydrogenation reaction was analyzed for various important process parameters, such as temperature, pressure, substrate quantity, solvent quantity, catalyst quantity, RPM, and hydrogen feed rate. Nitrobenzene hydrogenation reactions were conducted using ethanol as solvent and 5\% Pd/C as a catalyst with 55-65 degrees C temperature and 7-9 Bar absolute pressure range. More than 99.99\% conversion of nitrobenzene to aniline was obtained, and no other by-products were found. The average experimental nitrobenzene hydrogenation heat of reaction of 21 different experiments was found to be -581.87 kJ/mol, and the maximum heat rate during the nitrobenzene hydrogenation reaction was found to be 16.16 W for experiments using 10 gm of nitrobenzene in solvent.
}, keywords = {heat of reaction, heat rate, Hydrogenation, nitrobenzene, power compensation, reaction calorimeter}, issn = {1066-8527}, doi = {10.1002/prs.12663}, author = {Kumar, Rajendra and Mane, Pradip R. and Shingote, Savita K. and Mali, Nilesh A.} } @article {49462, title = {Development of new N -{4-[(7-Chloro-5-methylpyrrolo[2,1-f ] [1,2,4]triazin-4-yl)oxy]-3-fluorophenyl}benzenesulfonamide analogues: exploring anticancer potential through MerTK inhibition}, journal = {Synlett}, volume = {36}, year = {2025}, month = {MAR}, pages = {522-530}, type = {Article}, abstract = {
Mer proto-oncogene tyrosine-protein kinase (MerTK), a part of the TAM (TYRO3, AXL, and MerTK) family, is directly correlated with metastasis and various types of cancers. The inhibition of this receptor is a promising strategy for more-effective chemotherapy. Considering the pharmacophoric features of the active domain of MerTK and the structural characteristics of the investigational drug BMS794833, we designed five new N -{4-[(7-chloro-5-methylpyrrolo[2,1- f ][1,2,4]triazin-4-yl)oxy]-3-fluorophenyl}benzenesulfonamide analogues. In cytotoxicity studies, one of the analogues displayed a significantly higher cytotoxicity than cisplatin. It showed IC50 values of 2.09, 1.96, and 3.08 mu M against A549, MCF-7, and MDA-MB-231 cancer cell lines, respectively. In drug metabolism and pharmacokinetic studies, it was the most stable analogue and displayed a moderate MerTK inhibitory potential. Molecular-docking studies were performed to corroborate the MerTK inhibition, and the same analogue achieved the most significant docking score (-12.33 kcal/mol). Docking interactions demonstrated that the imine and amine group of the 3-chloropyridine moiety of BMS794833 formed hydrogen bonds with the main chain of the ATP pocket residue Met674, while the oxygen atoms of the 4-oxo-1,4-dihydropyridine-3-carboxamide moiety established hydrogen bonds with the Lys619 and Asp741 amino acid residues of the allosteric pocket of MerTK protein. These promising results provide evidence that the N -{4-[(7-chloro-5-methylpyrrolo[2,1- f ][1,2,4]triazin-4-yl)oxy]-3-fluorophenyl}benzenesulfonamide pharmacophore can give potential insights into the development of new MerTK inhibitors.
}, keywords = {cancer chemotherapeutics, kinase inhibitors, metabolic studies, pyrrolotriazines, sulfonamides}, issn = {0936-5214}, doi = {10.1055/a-2360-6586}, author = {Sathe, Balaji Dashrath and Meenakshi, Meenakshi and Murti, Yogesh and Mane, Madhav Shivaji and Pandey, Sarvesh Kumar and Mahajan, Shriya and Rawat, Pramod and Kandhari, Harsimrat and Goel, Kapil Kumar and Dwivedi, Ashish Ranjan and Rathod, S. V.} } @article {49613, title = {Discovery and biological evaluation of nitrofuranyl-pyrazolopyrimidine hybrid conjugates as potent antimicrobial agents targeting Staphylococcus aureus and methicillin-resistant S. aureus}, journal = {RSC Medicinal Chemistry}, volume = {16}, year = {2025}, month = {MAR}, pages = {1304-1328}, type = {Article}, abstract = {
Nitrofuran and pyrazolopyrimidine-based compounds possess a broad antimicrobial spectrum including Gram-positive and Gram-negative bacteria. In the present work, a series of conjugates of these scaffolds was synthesized and evaluated for antimicrobial activity against Staphylococcus aureus and methicillin-resistant S. aureus (MRSA). Many compounds showed MIC values of \<= 2 mu g ml-1, with compound 35 demonstrating excellent activity (MICs: 0.7 and 0.15 mu g ml-1 against S. aureus and MRSA, respectively) and safety up to 50 mu g ml-1 in HepG2 cells. Compound 35 also exhibited no hemolytic activity, biofilm eradication, and effectiveness against efflux-pump-overexpressing strains (NorA, TetK, MsrA) without resistance development. It showed synergistic effects with vancomycin (S. aureus) and rifampicin (MRSA). Mechanistic studies revealed that compound 35 exhibits good membrane-targeting abilities, as evidenced by DAPI/PI staining and scanning electron microscopy (SEM). In an intracellular model, it reduced bacterial load efficiently in both S. aureus and MRSA strains. With a strong in vitro profile, compound 35 demonstrated favorable oral pharmacokinetics at 30 mg kg-1 and potent in vivo anti-MRSA activity, highlighting its potential against antibiotic-resistant infections.
}, doi = {10.1039/d4md00826j}, author = {Saini, Sapna and Reddy, G. Lakshma and Gangwar, Anjali and Kour, Harpreet and Nadre, Gajanan G. and Pandian, Ramajayan and Pal, Sunny and Nandi, Utpal and Sharma, Rashmi and Sawant, Sanghapal D.} } @article {49561, title = {Divergent access to α-carbonyl-α'-vinyl sulfoxonium ylides and polysubstituted furans from β-ketosulfoxonium ylides and ynone-esters}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {APR}, pages = {6186-6207}, type = {Article}, abstract = {
Here, we describe the synthesis of novel alpha-carbonyl-alpha {\textquoteleft}-vinyl sulfoxonium ylides under ambient, catalyst-free, and additive-free conditions, demonstrating broad substrate scope and scalability using beta-ketosulfoxonium ylides and alpha-ynone-esters. Furthermore, these ylides serve as versatile intermediates for the synthesis of highly substituted furans via Br \& oslash;nsted acid (p-TsOH) catalysis at 130 degrees C. This approach offers key advantages, including wide substrate compatibility, divergent product formation from common precursors, gram-scale feasibility, and good to excellent yields.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.5c00245}, author = {Ingale, Sudhir R. and Sahu, Manas Ranjan and Borade, Balasaheb R. and Gamidi, Rama Krishna and Kontham, Ravindar} } @article {49614, title = {Double anchoring squaraine dye with triazatruxene amine donor for dye-sensitized solar cells: sequential cosensitization for panchromatic light-harvesting}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {462}, year = {2025}, month = {MAY}, pages = {116229}, type = {Article}, abstract = {
Dyes are firmly bound to a semiconducting TiO2 film using carboxylic acid anchoring groups for an efficient electron transfer from the excited state of dye to the conduction band (CB) of TiO2. Strong dye binding can be accomplished with multi-anchoring dye designs to improve photophysical characteristics, including high extinction coefficients, panchromatic absorption, post-sensitization modifications, and dark current suppression, besides enhancing the stability of the dye-TiO2 interface. Herein, a novel KV2D dye with double squaraine acceptor and double carboxylic acid anchoring groups is designed to achieve a high extinction coefficient (epsilon, 3.57 x 105M-1cm-1) and robust binding to the TiO2 film for an effective electron transfer. We systematically changed the amount of coadsorbent chenodeoxycholic acid (CDCA) to control the aggregation of dyes on the TiO2 surface that improves the power conversion efficiency (PCE, eta) for the devices based on the doubleanchoring KV2D. Out of these devices, KV2D: CDCA (1:10) based cell exhibited the best PCE of 5.26\% with VOC of 754 mV, JSC of 10.41 mA/cm2, and ff of 67\%. The sequential cosensitization studies were carried out with a far-red active dye to find the effect of the strong binding of the sensitizer to the TiO2 film. Interestingly, when di-anchoring, KV2D was sensitized first for 12 h and then sequentially cosensitized with far-red absorbing SQS4 for 5 h to achieve a PCE of 5.0\% with VOC of 697 mV, JSC of 10.23 mA/cm2, and ff of 70\% with panchromatic spectral response in IPCE upto 730 nm giving higher photocurrent generation.
}, keywords = {aggregation of dyes, Bulky donor unit, Double acceptor dye, Dye-sensitized solar cells, self-assembly of dye, squaraine dyes, triazatruxene}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2024.116229}, author = {Ingole, Kiran Balaso and Siby, Jesna and Pandya, Rinu and Vanka, Kumar and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {49544, title = {Early and advanced glycation end product analysis from women with PCOS on metformin}, journal = {Reproductive Biology}, volume = {25}, year = {2025}, month = {MAR}, pages = {100993}, type = {Article}, abstract = {
In this cross-sectional study, we have analyzed advanced glycation end products (AGEs) in the plasma and follicular fluid of women with polycystic ovary syndrome (PCOS) taking metformin during in vitro fertilization (IVF) and control women undergoing IVF. Glucose, fructose, fructosamine, carboxymethyl lysine/ arginine (CML/R) proteins, and pentosidine were measured in the plasma and paired follicular fluid. Glycated proteins were characterized by mass spectrometry. Fasting serum glucose and fructosamine were comparable; however, follicular fluid glucose and fructosamine were higher in the PCOS group, and other AGEs remained unaltered. Fructose was lower in both serum and follicular fluid from the PCOS group. A positive correlation between some of these AGEs and sugars estimated was observed. Glucose and fructosamine in the follicular fluid correlated with the antral follicle count. The number of glycated peptides identified in the PCOS group by mass spectrometry was more. Glycated K75, K402 amino acid residues of albumin were detected in the PCOS group only. Additionally, some proteins involved in steroidogenesis and oocyte maturation as well as transporters, and extracellular matrix proteins, were found to be glycated in the PCOS group, which may affect their function. Elevated glucose and fructosamine in the follicular fluid of the PCOS group may contribute to abnormal folliculogenesis. The glycation of albumin should be validated in more samples to be considered as a marker for PCOS diagnosis.
}, keywords = {Carboxymethyl lysine, Fructosamine, fructose, glucose, Pentosidine, Polycystic ovary syndrome}, issn = {1642-431X}, doi = {10.1016/j.repbio.2024.100993}, author = {Ambekar, Aditi S. and Naredi, Nikita and Malakar, Dipankar and Vashum, Y. and Misra, Pratibha and Kulkarni, Mahesh} } @article {49516, title = {Effect of cyclization and alkyl group wrapping in visible-light-active unsymmetrical squaraine dyes for dye-sensitized solar cells}, journal = {ACS Applied Energy Materials}, volume = {8}, year = {2025}, month = {APR }, pages = {5017-5030}, type = {Article}, abstract = {
A series of alkyl group-appended indoline- and carboxylic acid-functionalized indolenine-based visible-light-active unsymmetrical squaraine dyes, SQA7-10, were designed, synthesized, and utilized for the dye-sensitized solar cells device fabrication. The number of alkyl group has been increased systematically on the indoline moiety to control the self-assembly of dyes on TiO2 and to passivate the photoanode that helps in improving the open-circuit voltage (V-OC) by avoiding the charge recombination process. SQA7-10 dyes showed an absorption between lambda(max) 536-540 nm, with molar extinction coefficients of 1.62-2.13 x 10(5) M-1 cm(-1) in CH3CN. Further, ultraviolet-visible (UV-vis) studies on TiO2 indicated the formation of H-aggregated dyes (505-510 nm), which can be controlled by appending the alkyl groups. The energy levels of the highest occupied molecular orbital (HOMO) of these dyes are well aligned with the Nernst potentials of I-/I(3)(-)electrolyte and [Cu(tmby)(2)](+/2+) electrolytes with sufficient overpotentials required for the dye regeneration process. DSSC devices made with these dyes showed systematic enhancements of open-circuit voltage (V-OC) and device efficiency with respect to alkyl group incorporation for SQA7-10 with I-/I-3(-) electrolytes. All of the SQA dyes exhibited the device V-OC of more than 805 mV, where the introduction of alkyl groups systematically enhanced the V-OC in the order of SQA7 (805 mV) \< SQA8 (829 mV) \< SQA9 (843 mV) \< SQA10 (862 mV) without any addition of CDCA. Within the SQA dye series, SQA10 dye has achieved the highest DSSC device efficiency of 7.52\% (J(sc) of 11.16 mA/cm(2), V-oc of 862 mV, and ff of 78\%) with I-/I-3(-) electrolyte, whereas use of [Cu(tmby)(2)](+/2+) redox shuttle with SQA10 showed enhanced V-oc (1080 mV) and device efficiency (8.35\%). The IPCE profile for the device fabricated with SQA dyes showed good response at 480 and 560 nm, which indicates the photocurrent generation from the aggregated structures.
}, keywords = {aggregation of dyes, charge recombination, Dye-sensitized solar cells, indoline and indolenine donors, visible-light-activeunsymmetrical squaraine dye}, issn = {2574-0962}, doi = {10.1021/acsaem.4c03116}, author = {Jadhav, Avinash P. and Singh, Ambarish Kumar and Shivankar, Bhavana R. and Siby, Jesna and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {49506, title = {Effect of doping on electrocatalytic dehydrogenation and hydrogenation of methyl decalin-methyl naphthalene system}, journal = {Journal of Physical Chemistry C}, volume = {129}, year = {2025}, month = {JAN}, pages = {2367-2380}, type = {Article}, abstract = {
The hydrogen economy can benefit from the use of liquid organic hydrogen carriers (LOHCs) for cross-continent hydrogen transportation in the future. However, dehydrogenation and hydrogenation of hydrogen require catalytic systems. Current research emphasizes selective Pt/Rh doping of Fe, Co, and Ni surfaces as catalysts for the dehydrogenation and hydrogenation of the methyl naphthalene-methyl decalin LOHC system, which has more than 7\% hydrogen weight capacity and meets the practical requirements established by the European Union and the United States Department of Energy. Density functional theory-based computational techniques demonstrate how the chemical modification of these surfaces with a Pt and Rh single-atom catalyst (SAC) can improve the efficiency of dehydrogenation and hydrogenation. With a sustainable method, electrochemical dehydrogenation and hydrogenation on these robust surfaces produce effective hydrogen storage for extended periods without losing hydrogen. Furthermore, optimal results for the hydrogenation of 2-methyl naphthalene on Fe-Rh SAC with path-determining step (PDS) = 0.98 eV and dehydrogenation of 1-methyl decalin on Fe-Pt SAC with PDS = 1.49 eV were obtained for the most effective active sites for the enhanced electrochemical process. This study offers new possibilities for the catalytic dehydrogenation and hydrogenation of LOHC systems by highlighting the impact of doping on transition-metal-based catalysts.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.4c07598}, author = {Verma, Tushar Singh and Selvaraj, Kaliaperumal and Krishnamurty, Sailaja} } @article {49430, title = {An effective alliance for successful coupling: electrochemical alcohol oxidation mediated conversion of indoles to bis(indolyl)methanes}, journal = {Journal of Applied Electrochemistry}, volume = {55}, year = {2025}, month = {MAY}, type = {Article}, abstract = {
Electro-organic transformation of indoles to bis(indolyl)methanes (BIMs) has been successfully achieved by combining the electrochemical alcohol oxidation reaction (AOR) with indole coupling. The fact that it is the readily available alcohols and not the traditionally used aldehydes or ketones that provide the bridging -CH2- (methylene) for this transformation makes this path extremely attractive and valuable. The formation of aldehydes as reactive intermediates during the AOR has been dexterously utilized to achieve this transformation. Most gratifyingly, the transformation also can be carried out in water-alcohol mixtures and the yields and conversions are better than the most of the previously reported chemical catalytic transformations using specially designed metal complexes. Various substituted indoles were selectively converted to their corresponding BIMs in decent yields. This strategy could further be exploited for the synthesis of different natural products, including the much sought after deuterium substituted ones (as CD3OD is readily accessible), and other important biologically active alkaloids and drug molecules, etc.
}, keywords = {Alcohol oxidation reaction, Bis(indolyl)methanes, Direct alcohol fuel cell, Electroorganic transformations, Vibrindole A}, issn = {0021-891X}, doi = {10.1007/s10800-024-02227-4}, author = {Baravkar, Mayur D. and Prasad, Bhagavatula L. V.} } @article {49535, title = {Efficient hydrogen liberation from autocatalytic wastewater treatment by green synthesized Ag2SeO3 nanocatalyst}, journal = {Inorganic Chemistry Communications}, volume = {175}, year = {2025}, month = {MAY}, pages = {114106}, type = {Article}, abstract = {
Concerns about wastewater management, secure hydrogen storage, and interest in an affordable, effective, and user-friendly technique for releasing hydrogen have grown globally. Developing sustainable synthetic processes that result in industrially significant nanocatalyst to synergistically accelerate the evolution of hydrogen from wastewater treatment is extremely desirable. This work, for the first time, demonstrates the design and green fabrication of bactericidal silver selenite nanoparticles (Ag2SeO3 NPs) using the fungus Aspergillus niger for autocatalytic hydrogen production and methylene blue dye reduction by hydrolytic dehydrogenation of NaBH4. The morphology of Ag2SeO3 nanocatalysts with an average particle size of 60 nm was assessed by FETEM, while their surface chemistry, crystal structure, and optical properties were examined using XPS, XRD, and FTIR/ UV-Visible spectrophotometers, respectively. The sigmoidal trajectory of NaBH4 dehydrogenation with turnover frequencies (TOF) of 4750 mL g- 1 min- 1 suggested good autocatalytic activity of Ag2SeO3 NPs. The mechanistic study unveiled that autocatalysis was made possible by the creation of novel, active Ag co-catalyst which works synergistically with Ag2SeO3 NPs. For in-situ, real time assessment of Ag concentration during catalysis, hydrolysis of NaBH4 was carried out in the presence of methylene blue dye. The results showed that the active cocatalyst centers have a significant influence on autocatalytic hydrogen production at room temperature, reducing 98.8 \% methylene blue (MB) dye in 6 min with a lesser hydrogen generation rate of 4174 mL g- 1 min- 1. The catalyst exhibited excellent stability and durability after fourth consecutive cycle, demonstrating its promise for long-term and recurring application in hydrogen liberation from autocatalytic MB dye reduction.
}, keywords = {Ag2SeO3 nanoparticles, Antibacterial, autocatalysis, Hydrogen generation, Wastewater treatment}, issn = {1387-7003}, doi = {10.1016/j.inoche.2025.114106}, author = {Islam, Sk Najrul and Ansari, Ifra Ilyas and Gopinath, Chinnakonda S. and Ahmad, Absar} } @article {49505, title = {Efficient synthesis of 3,3'-Spirooxindole γ-Butyrolactone via Rongalite-mediated domino reductive aldol and spiro-lactonization reactions}, journal = {ChemistrySelect}, volume = {10}, year = {2025}, month = {FEB}, pages = {e202405996}, type = {Article}, abstract = {
In this study, we develop a novel methodology involving rongalite-mediated domino reductive/aldol reaction, followed by spiro-lactonization of 2-oxoindolin-3-ylidene acetates/malonates in presence of base to synthesis of 3,3 {\textquoteleft}-spirooxindole gamma-butyrolactone. The detail study, such as effect of solvent, effect of different base and substrate has been carried out. Scale up of this methodology is also done. Sodium hydroxymethanesulfinate dihydrate (rongalite) concurrently has a dual role in this context; it acts as a reducing agent as well as C1 synthon. This approach offers several advantages, such as being metal- and catalyst-free, involving a simple reaction protocol, having a wide substrate scope, using water as a green solvent, and providing good to excellent yields of the products under mild reaction conditions.
}, keywords = {(+/-) Coixspirolactam A \& [3, 3 {\textquoteleft}-spirooxindole gamma-butyrolactone], Domino reductive/aldol/spiro-lactonization, Good step economy, Rongalite as reductant \& C1 synthon, Water as a green solvent}, issn = {2365-6549}, doi = {10.1002/slct.202405996}, author = {Chaudhari, Suryakant S. and Nichinde, Chandrakant B. and Patil, Baliram R. and Girase, Amardipsing S. and Kinage, Anil K.} } @article {49528, title = {Electrochemical deconstruction of waste polyvinylidene chloride (PVDC) to value-added products in batch and flow}, journal = {Chemistry-A European Journal}, volume = {31}, year = {2025}, month = {FEB}, type = {Article}, abstract = {
Chlorinated polymers have made enormous contributions to materials science and are commercially produced on a large scale. These chlorinated polymers could be recycled as chlorine sources to efficiently produce valuable chlorinated compounds owing to their facile release of HCl. Although the thermal stability of PVDC is low compared to PVC, this can be advantageous in terms of easy and fast dehydrochlorination. Herein, we report an efficient electrochemical chlorination using poly(vinylidene chloride) (PVDC) as a chlorine source that works in an undivided cell and applies to a good number of examples. This method works on commodity polymers such as waste PVDC-PVC pharma blister film, PVDC-PO multilayer food packaging, and compression molded sheets of Ixan PVDC (with heat stabilizer) with similar efficiency. Furthermore, this method also provides the dechlorination of PVDC up to 98 \%, leading to unsaturated dechlorinated material. Converting PVDC into more stable unsaturated compounds, the release of harmful chlorine-containing gases during incineration can be minimized. Additionally, this method is not only restricted to batch processes but an electroflow process for PVDC dechlorination and electrosynthesis has also been demonstrated.
}, keywords = {chlorination, Electrochemical recycling, Electroflow-synthesis, Graphitic material, Polyvinylidene chloride}, issn = {0947-6539}, doi = {10.1002/chem.202403980}, author = {Mishra, Subhadip and Kar, Sourav and Rangappa, Raghavendrakumar and Patil, Prashant and Kadam, Vijay and Chikkali, Samir H. and Samanta, Ramesh C.} } @article {49420, title = {Enhanced light-matter interaction in gas nitridation-derived TiNx thin films for potential plasmonic applications}, journal = {Journal of Materials Science}, volume = {60}, year = {2025}, month = {JAN}, pages = {178-194}, type = {Article}, abstract = {
Titanium nitride is a substitute material exhibiting improved opto-electrical characteristics suitable for plasmonic purposes with adjustable attributes. In this study, we have embraced an innovative methodology for the fabrication of titanium nitride thin coatings via the nitridation of RF magnetron-sputtered titanium metallic films for surface plasmon resonance utilisation. The augmented electrical and optical features of TiN thin coatings prepared through the nitridation procedure are reported for the first time. The metallic coatings underwent gas nitridation at diverse temperatures within the range of 450-600 degrees C. The titanium nitride phase evolution in the coatings was corroborated by x-ray diffraction and x-ray photoelectron spectroscopy examinations. The dielectric function is deduced from reflection spectra through Drude-Lorentz model fitting, and the manifestation of surface plasmon excitation in the visible region was confirmed by correlating with carrier concentration assessments and by ensuring the required negative permittivity in the region. The red shift of screened plasma wavelength was observed with the nitridation temperature, and the same is varied in the wavelength range 400-700 nm. Ultimately, surface plasmons were excited in coatings with optimised thickness using Kretschmann configuration in wavelength interrogation mode.
}, issn = {0022-2461}, doi = {10.1007/s10853-024-10520-y}, author = {Tony, Liya and Selvam, I. Packia and Vinod, C. P. and Potty, S. N.} } @article {49600, title = {Enhanced mid-visible light absorption and long-lived charge carriers in an electronically and structurally integrated BiVO4-TiO2 photoanode for efficient artificial photosynthesis applications}, journal = {Nanoscale}, volume = {17}, year = {2025}, month = {MAY}, pages = {12738-12750}, type = {Article}, abstract = {
The ever-increasing demand for sustainable solutions for eliminating environmental pollutants, solar energy harvesting, water splitting, etc. have led to the design and development of novel materials to achieve the desired result. In this regard, structurally and electronically integrated (SEI) BiVO4-TiO2 (SEI-BVT) with abundant heterojunctions has emerged as a promising entity for efficient charge separation, which in turn enhances artificial photosynthesis (APS) activity. The present work adopted a unique synthetic strategy using SILAR to fabricate SEI-BVT from ionic precursors (Bi3+ and VO43-) into the pores of TiO2, exhibiting benchmark APS efficiency compared to the individual components. This preparation results in approximately 180 trillion uniformly distributed heterojunctions in 1 mg cm-2 of the SEI-BVT photoanode material. Charge carriers in SEI-BVT and BiVO4 are similar; however, the recombination is highly hindered when SEI-BVT heterojunctions are formed in the former. Our earlier work demonstrated 31-38\% solar-to-fuel efficiency (STFE) with BiVO4-TiO2 for APS in the presence of the Pd-nanocube co-catalyst. The emphasis of the current work is to explore the dynamics of the light-induced processes in these heterojunctions to understand the interfacial charge transfer process. Femtosecond transient absorption (TA) spectroscopy has been employed to monitor the excited state dynamics. Our results show that new trap states have evolved under light illumination, which are significantly long-lived and hinder charge recombination, and consequently enhance STFE. A significantly large number of charge carriers exhibit a lifetime of \>\> 6 ns with visible light photons, at least up to 720 nm, which is higher than the band-gap absorption onset at 490 nm for SEI-BVT compared to bulk BiVO4. The rate of formation of charge carriers is significantly affected in the heterojunctions.
}, issn = {2040-3364}, doi = {10.1039/d5nr00723b}, author = {Jha, Vikas Kumar and Salgaonkar, Kranti N. and Saha, Avishek and Gopinath, Chinnakonda S. and Iyer, E. Siva Subramaniam} } @article {49520, title = {Enhanced Production and Techno-Economic Analysis of Sustainable Biofuel Production via Continuous Hydrogenation of Furfural Using the Cu-ZnO-Al2O3 Catalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {13}, year = {2025}, month = {FEB}, pages = {3183-3199}, type = {Review}, abstract = {
2-Methylfuran is a perfect green solution on the pathway of finding alternative fuels. We report here for the first time the continuous production of 2-methylfuran (2-MF), a sustainable biofuel from biomass-derived furfural (FFA), over an industrial Cu-ZnO-Al2O3 (CZA) catalyst. The modified coprecipitation method provides a uniformly dispersed crystalline structure to the synthesized catalysts, along with intended copper (Cu) loading achievement. Different Cu loadings affect the catalytic behavior and activity. Hence, CZA catalysts with two Cu loadings of 9.8 and 4.7\% were studied in detail, denoted as C1 and C2, respectively. The catalysts were characterized via XRD, N-2 adsorption, H-2-TPR, NH3-TPD, XPS, ICP-MS, and TEM. Remarkably, the prepared catalysts demonstrate balanced acid sites with mesopores, a high surface area and pore volume, and better controlled nanoparticle size promoting catalytic activity. TEM and H-2-TPR studies reveal a better Cu dispersion. Existence of Cu2+ and Cu (+) even after reduction by XPS study proves the efficiency of the synthesized catalysts. Furthermore, TGA indicates the stability of CZA catalysts. To understand catalytic activity and selectivity, the investigation was carried out in a packed-bed fixed-bed stainless steel reactor. Better physiochemical properties result in high FFA conversion of 33.8\% and selectivity of 99.6\% for 2-MF. No side products were formed during reaction otherwise improbable via the continuous method. Compared with available literature, the CZA catalyst was found to exhibit superior catalytic performance. The reaction kinetics of furfural hydrogenation to 2-methylfuran was investigated, and it was found that the reaction order is high, and the activation energy was 61.2 kJ/mol. The rate constant k clearly obeyed the Arrhenius law from 180 to 220 degrees C. In addition, evaluation of reaction kinetics also indicated the absence of ring hydrogenation and decarbonylation products, which is difficult to achieve. Finally, the process shows significant economic viability, which resulted in the minimum levelized production cost for 2-methylfuran of 173,068.16 \$/ton with 78.32\% overall energy efficiency.
}, keywords = {2-methylfuran (2-MF), continuous production, Cu-ZnO-Al2O3, economic viability, furfural, green synthesis}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.4c08820}, author = {Saha, Biswajit and Racha, Arundhathi and Chaudhary, Puneet Kumar and Singh, Brijesh Kumar and Samanta, Chanchal and Newalkar, Bharat L.} } @article {49494, title = {Evaluating the catalytic potential of Lithium-decorated graphene quantum dots for small molecule activation}, journal = {Chemical Physics}, volume = {595}, year = {2025}, month = {JUL}, pages = {112682}, type = {Article}, abstract = {
The search for effective catalysts in small molecule activation has intensified as industries seek efficient and costeffective solutions. Lithium (Li), known for its unique electronic properties, is of significant interest as a catalyst. However, its specific catalytic potential when anchored on graphene quantum dots (GQDs) has not been fully explored. This study investigates the catalytic potential of lithium (Li) adatoms on GQDs with various edge conformations (zigzag and armchair) and sizes (24 and 42 atoms). Using density functional theory (DFT), we examine the interactions of Li-decorated GQDs with small molecules such as H2, N2, CO, O2, and CO2. Our findings reveal that Li-GQD complexes exhibit optimal catalytic activity for all these molecules, based on binding energy, charge distribution, and bond length changes. The smallest GQD, coronene (24 carbon atoms), shows the most promising catalytic activity, providing experimental leads for synthesizing and testing efficient Li-anchored catalysts.
}, keywords = {Catalytic activity, Density functional theory, graphene quantum dots, Lithium adatom, small molecule activation}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2025.112682}, author = {Samudre, Nikhil S. and Tiwari, Rukminesh} } @article {49491, title = {Evaluating the preferential adsorption of N2 from a binary mixture of N2/O2 on extra-framework cations of zeolites: a computational and experimental study}, journal = {Physical Chemistry Chemical Physics}, volume = {27}, year = {2025}, month = {APR }, pages = {7846-7857}, type = {Article}, abstract = {
Separation of N2 from a N2/O2 gas mixture is critical for various industrial/medical applications. Temperature/pressure swing adsorption is the top-notch industrial technology used for this separation, where zeolites are the materials used for adsorption. Zeolite X/Y with Li+ as an extra-framework cation is the best-known sorbent for N2 gas molecules. However, the present net zero emission scenario has made lithium a critical element, making it imperative to implement its alternative in various other technologies. In this context, the present work is a computational evaluation to identify a cation that can replace Li+ for preferential adsorption of N2 over O2. The DFT study, based on parameters such as selective adsorption energies of N2 over O2 and IR stretching frequencies of the adsorbed N2 and O2 molecules, identifies Mg2+, Ca2+, Sr2+, Co2+ and Zn2+ as potential cations. These cations have preferential adsorption for N2 over O2 by 10 kJ mol-1 or more. However, BOMD simulations reveal that only Mg2+, Ca2+, Co2+ and Zn2+ keep the N2 molecule bound at 300 K and the O2 molecule gets desorbed from these frameworks. The desorption temperature of N2 on Ca2+ and Zn2+ is 350 K and on Mg2+ is 400 K. These observations are corroborated by electronic charges on cations and molecular orbitals. Significantly, Ca2+ is identified to adsorb up to 2 N2 molecules, making it an ideal candidate for N2/O2 separation in place of Li+. To validate this, we have carried out an experimental study that showed a good N2 adsorption capacity of 2.1 mmol g-1 for Ca2+.
}, issn = {1463-9076}, doi = {10.1039/d4cp04193c}, author = {Devasia, George and Nandanwar, Sachin U. and Krishnamurty, Sailaja} } @article {49409, title = {Evaluation of reaction kinetics for chemoselective hydrogenation of citral for intensification of citral intermediates using copper-based catalysts}, journal = {Indian Chemical Engineer}, volume = {67}, year = {2025}, month = {MAR}, type = {Article}, abstract = {
Citral intermediates{\textquoteright} formation kinetics is studied using non-noble metal catalyst (Cu/SiO2) to evaluate catalyst performance characteristics via chemoselective hydrogenation of citral. The catalyst is synthesised by the precipitation method and characterised using XRD, FESEM and BET surface area analyser. Hydrogenation experiments are carried out using an Autoclave reactor in the temperature range of 80{\textendash}120{\textdegree}C, pressure range of 10{\textendash}50 bar and for catalyst loadings of 0.5, 1 and 1.5 g. The intermediates product distribution comprises aldehyde and alcohol formation such as citronellal, nerol and citronellol formation. The performance of the Cu/SiO2\ catalyst is evaluated using the parameters such as citral conversion, citronellol selectivity and yield as 96.96\%, 95.30\% and 92.30\%, respectively under optimal conditions of 50 bar, 120{\textdegree}C and 1 g catalyst for the reaction time of 100 min. The absence of internal and external mass transfer limitations is verified using the Carberry number and Weisz-Prater modulus criterion. The intrinsic kinetics of the gas{\textendash}liquid phase hydrogenation of citral is determined using the Langmuir{\textendash}Hinshelwood-Hougen-Watson (LHHW) model for citral intermediates formation. The reaction kinetic parameters show that citronellol formation favours by the nerol route compared to citronellal conversion.
}, doi = {https://doi.org/10.1080/00194506.2024.2390068}, author = {Debtirtha, Banik and Kinage, Anil K. and Vasireddy, Satyam Naidu} } @article {49570, title = {Exploring the structural and photophysical properties of tri-cation mixed halide double perovskites (Cs2AgIn0.85-XCeXBi0.15Cl6) for high-performance phosphor-based WLEDs}, journal = {Dalton Transactions}, volume = {54}, year = {2025}, month = {MAR}, pages = {5035-5049}, type = {Article}, abstract = {
Owing to their superior optoelectronic properties, lead-free halide double perovskites (HDPs) have been extensively studied for a wide range of optoelectronic applications, especially for fabricating white light-emitting diodes (WLEDs). Considering white light emission, the HDP structure{\textquoteright}s dual octahedral configuration facilitates greater lattice distortion, thereby fostering strong electron-phonon coupling-derived self-trapped exciton (STE) emission upon photoexcitation. Herein, we propose facile fabrication of a highly feasible phosphor-converted white light LED and an intensive analysis of the structural, compositional and photophysical properties of a tri-cation mixed halide double perovskite. We chose Cs2AgIn0.85Bi0.15Cl6 as a potential candidate for electroluminescent-based white light LED devices as its composition exhibits high stability, direct-allowed transition, and a notable photoluminescence quantum yield. However, we incorporated a lanthanide ion (Ce3+) into this cubic HDP structure via tri-cation mixing at the B {\textquoteleft}{\textquoteright} site (Cs2AgIn0.85-XCeXBi0.15Cl6) to internally disturb structural periodicity and further enhance STE emission. Initially, powder XRD revealed the lattice expansion induced by Ce3+ incorporation, while XPS and TEM verified the substitution of Ce3+ at the In3+ site. Meanwhile, compositional and optical studies established the role of Ce3+ in retaining the direct allowed transition by effectively replacing the In3+ site. Urbach energy (EU), a measure of energetic disorderness at band edges, was found to be significantly reduced, showing a value of 135 meV for the Ce-5\% sample. Most significantly, PL emission studies revealed an appreciable enhancement in the PL intensity with a prolonged STE lifetime of 670 ns for Cs2AgIn0.80Ce0.05Bi0.15Cl6, indicating improved radiative recombination. Besides, excitation-dependent Pl and PLE studies revealed that the emission solely came from the STE states. Elaboratively, vibrational studies elucidated that the Ce-5\% sample exhibited a restabilized elpasolite structure and enhanced lattice phonons, which ultimately helped in boosting STE emission, as proven by the Huang-Rhys factor (S = 13). Finally, an efficient and durable phosphor-converted WLED was fabricated, and its performance was assessed, revealing CIE coordinates of (0.35,0.32), a CCT of 4368 K, and an extremely high CRI (Ra) of 92. Thus, our work provides an exclusive strategy to enhance the STE emission for potential application in electroluminescent-based WLED devices.
}, issn = {1477-9226}, doi = {10.1039/d4dt03417a}, author = {Ravi, Nalini and Kanapathi, Prakash and Mohan, Subramaniam and Appadurai, Tamilselvan} } @article {49589, title = {Extraction of highly crystalline and thermally stable cellulose nanofiber from Heliconia psittacorum L.f. leaves}, journal = {International Journal of Biological Macromolecules}, volume = {308}, year = {2025}, month = {MAY}, pages = {142264}, type = {Article}, abstract = {
Extracting cellulose nanofibers (CNF) from agro-waste is one of the promising and practical ways to develop sustainable nanocomposites. In this study, cellulose nanofibers were extracted from the leaves of Heliconia psittacorum for the first time. The combination of oxalic acid hydrolysis (5 wt\%) and steam explosion was used for the isolation of CNF from the leaves of Heliconia psittacorum. The structural and chemical features of the prepared CNF were analyzed using various techniques, including Fourier Transform Infrared Spectroscopy (FTIR), Solid state 13C Nuclear Magnetic Resonance Spectroscopy (13C NMR), Scanning Electron Microscopy (SEM), Energy Dispersive X ray analysis (EDX), Transmission electron Microscopy (TEM), X-Ray Diffraction (XRD) and Thermogravimetric analysis (TGA). TEM micrographs reported 15 to 40 nm diameter for the nanofibers synthesized. XRD analysis reported 91 \% crystallinity index for CNF, whereas that of the untreated sample was 76 \%. The maximum degradation of the CNF is reported at 355 degrees C, exceeds the untreated sample (316 degrees C). The tensile strength of the CNF derived paper was found to be 23 MPa. The recovered nanocellulose can be further utilized for various applications such as the automobile industry for developing lightweight parts, biosensors, super capacitors, absorption of greenhouse gases, wastewater treatment, and packaging applications.
}, keywords = {biomass valorization, Nanocellulose, Waste to resource}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.142264}, author = {Paul, Sharon and Joseph, Anto and Hridhya, P. D. and Badawi, Michael and Ajithkumar, T. G. and Parameswaranpillai, Jyotishkumar and Asrofi, Mochamad and Dominic, C. D. Midhun} } @article {49348, title = {Far-red active squaraine dye-sensitized photoanode for dye-sensitized solar cells with a copper (II/I) electrolyte}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {459}, year = {2025}, month = {FEB }, pages = {116086}, type = {Article}, abstract = {
In dye-sensitized solar cells (DSSC), controlling the dye-aggregation on TiO2 and charge recombination between electrons present in TiO2 and electrolyte can be achieved by wrapping the long alkyl groups around the dye structure and further introducing bulky donor on the dye is a potential approach to enhance both the open-circuit potential and short-circuit current parameters. Additionally, bulky donor containing dye structures modulates the photophysical and electrochemical properties of the sensitizer which helps reducing the over potentials required for the dye regeneration process by utilizing a multidentate ligand containing [Cu(tme)]2+/+ and I- /I3redox electrolytes. Hagfeldt donor appended far-red NIR active unsymmetrical squaraine dye (SQ-HF) has been designed, synthesized, and characterized. SQ-HF dye showed an intense absorption at 676 nm (epsilon 1.7 x 105 M- 1cm- 1). Photophysical and electrochemical studies indicated that the LUMO and HOMO energy levels of the SQ-HF dye were suited for charge injection (from the LUMO of the dye to the conduction band of TiO2) and dyeregeneration processes, respectively. The DSSC device efficiency of 5.15 \% (JSC of 10.83 mA/cm2 and VOC of 0.690 V) has been achieved for SQ-HF dye by utilizing a literature reported [Cu(tme)]2+/+ and 4.11 \% (JSC of 8.74 mA/cm2 and VOC of 0.702 V) in I- /I3- redox shuttles, respectively.
}, keywords = {aggregation of dyes, Bulky donor, dye-sensitized solar cell, Photocurrent generation, squaraine dye}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2024.116086}, author = {Nawghare, Indrajeet S. and Deshmukh, Shivdeep Suresh and Joshi, Krati and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {49256, title = {The first enantioselective total synthesis of the eremophilane-type sesquiterpenoid (-)-peniroqueforin C}, journal = {Tetrahedron Letters}, volume = {154}, year = {2025}, month = {JAN }, pages = {155386}, type = {Article}, abstract = {
Herein, we report the first stereoselective total synthesis of the eremophilane-type sesquiterpenoid (-)-peniroqueforin C using a chiral-pool strategy. This synthetic route features the use of readily available (S)-(+)-carvone as a chiral building block, Robinson annulation to construct the decalin system, substrate-controlled stereoselective methylation, single-step annulative construction of a tricyclic gamma-ylidene-butenolide with concomitant alkene transposition, and direct lactone-to-lactam conversion as key transformations.
}, keywords = {annulation reactions, Eremophilanes, Peniroqueforin C, Sesquiterpenoids, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2024.155386}, author = {Ingale, Sudhir R. and Vinodkumar, Ramavath and Kontham, Ravindar} } @article {49615, title = {Functionalized gold nanorods (GNRs) as a label for the detection of thyroid-stimulating hormone (TSH) through lateral flow assay (LFA)}, journal = { Emergent Materials}, volume = {8}, year = {2025}, month = {JAN}, pages = {601{\textendash}617}, type = {Article}, abstract = {
Thyroid-stimulating hormone (TSH) is an important biomarker of thyroid dysfunctions. Different types of nano biosensors have been developed to detect TSH. However, there is a lacuna in the development of sensitive paper-based nano biosensors due to less sensitivity and instability of the labels. Interestingly, the intense color and localized surface plasmon resonance (LSPR) property make gold nanorods (GNRs) an efficient lateral flow assay (LFA) label instead of spherical gold nanoparticles. The rapidity, simplicity and user-friendly functioning of LFAs make them a predominant technique compared to electrochemical techniques for point-of-care diagnosis. This proof-of-concept study underlines the role of stable GNRs as a novel label for LFAs. The TSH antibody functionalized GNRs can semi-quantitatively diagnose hyperthyroidism and hypothyroidism. The limit of detection (LOD) of the LFA is 0.3 {\textmu}IU/mL, determined by visually analyzing the color development at the test line without employing any quantification method. Moreover, the study provides a comprehensive understanding of seed-mediated synthesis and functionalization of GNRs, which would benefit the researchers in suitably designing the GNRs-based labels for LFAs. Considering their exceptional characteristics, GNR-based LFAs are expected to surpass other labelling nanomaterials in detecting various biological markers. This enhanced sensitivity could significantly improve the clinical utility of diagnostic kits.
}, doi = {https://doi.org/10.1007/s42247-024-00976-8}, author = {Varma, Sanjana and Burade, Dimpal K. and Chaudhari, Bhushan P.} } @article {49576, title = {Is GCR1 the GPR157 of plants?}, journal = {PLANT PHYSIOLOGY}, volume = {197}, year = {2025}, month = {FEB}, type = {Letter}, issn = {0032-0889}, doi = {10.1093/plphys/kiaf057}, author = {Gotkhindikar, Aditi and Chakravorty, David and Sengupta, Durba and Joshi, Manali and Assmann, Sarah M.} } @article {49521, title = {Genome mining, probiotic characteristics, and in-silico safety assessment of Limosilactobacillus fermentum AV7 isolated from Avocado fruit pulp}, journal = {LWT-Food Science and Technology}, volume = {216}, year = {2025}, month = {JAN}, pages = {117231}, type = {Article}, abstract = {
Limosilactobacillus fermentum holds substantial promise for probiotic applications in human health and various industries. Herein, we present the first report of L. fermentum AV7 isolated from the avocado pulp and assessed for its probiotic potentials and safety through probiogenomic analyses and In-vitro probiotic assays. The genomic insights revealed genes associated with acid and bile tolerance and antimicrobial peptide production, highlighting the probiotic potential of the strain AV7. Notably, the in-silico safety analysis showed that the genome of L.fermentum AV7 is devoid of plasmid and lacks any putative antibiotic resistance or pathogenic traits, ensuring its safety for human consumption. Beyond the genomic and in-silico analysis, we also aimed to evaluate the probiotic potentials of AV7 strain using in- vitro tests for acid, gastric juice, intestinal fluid and bile tolerance, resilience to osmotic stress, followed by auto-aggregation and co-aggregation assays with Escherichia coli ATCC 8739. The data obtained through in-vitro studies confirmed the efficacy of L.fermentum AV7 as a probiotic strain, and positions it as a potent probiotic candidate, expanding the scope of probiotic research. Our study investigates avocados, a nutrient-dense fruit, as a novel source of beneficial lactic acid bacteria, thereby attracting innovative dietary and therapeutic applications. By introducing L .fermentum AV7 into the probiotic landscape, we pave the way for new health benefits from this beloved fruit. The research not only adds a new dimension to avocado utilization but also contributes to the relatively unexplored field of isolating beneficial bacteria from avocados, promising exciting advancements in human health.
}, issn = {0023-6438}, doi = {10.1016/j.lwt.2024.117231}, author = {Mahajan, Vaishnavi and Samson, Rachel and Dharne, Mahesh} } @article {49616, title = {Germylene mediated reductive C-C and C-N coupling of an isocyanide and its device application}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {FEB }, type = {Article}, abstract = {
We have demonstrated a unique reductive coupling of 4-iodophenyl isocyanide, facilitated by a perimidine-based N-heterocyclic germylene (NHGe), which yields a bis-spirogerma compound featuring simultaneous C-C and C-N bond formation. This reaction, which leads to the oxidation of germanium from +2 to +4, represents a significant departure from previously documented isocyanide-germylene interactions. The product exhibits extensive conjugation across its bicyclic C4Ge2N2 framework, conferring distinct photophysical properties, including prominent orange luminescence in both solution and solid states. The photophysical properties are supported by the TD-DFT calculations confirming an n -\>pi* transition. The potential application of this compound in optoelectronic devices, particularly as a hole transport layer in PbS quantum dot solar cells, is also explored, with promising preliminary results.
}, keywords = {Germylene, hole transport layer, Isocyanide, reductive coupling}, doi = {10.1002/anie.202417052}, author = {Gour, Kritika and Pramanik, Debjit and Dash, Soumya Ranjan and Shinde, Dipak Dattatray and Venugopal, Geethu and Vanka, Kumar and Rath, Arup K. and Sen, Sakya S.} } @article {49571, title = {Gold nanorods (GNRs): a golden nano compass to navigate breast cancer by multimodal imaging approaches}, journal = {Journal of Biomedical Materials Research Part B-Applied Biomaterials}, volume = {113}, year = {2025}, month = {FEB}, pages = {e35543}, type = {Review}, abstract = {
The ongoing rise in the incidences of breast cancer cases has concerned medical and scientific personnel around the world. Adequate treatment of cancer predominantly relies on the pertinent diagnosis of the type of cancer as well as other molecular and cellular details at the initial stage only. Surprisingly, up till now, there is no single, self-reliant imaging modality that helps to systematically find out the anatomical and functional events taking place inside the body. This resulted in the advent of the multimodal imaging concept, which encompasses the integration of complementary imaging modalities by designing multimodal imaging probes. Gold nanorods (GNRs) are extremely popular and effective nanoparticles for multimodal bioimaging due to their unique properties. Researchers have designed varieties of stable and biocompatible GNR-based probes for targeted and nontargeted multimodal imaging of breast cancer. However, there is a lack of investigations on the in vivo fate and the toxicity of GNRs. Thus, their preclinical to clinical translation can be attained by comprehensively determining the in vivo fate and toxicity of GNRs. The review provides details about the GNRs-based nanoprobes fabricated so far for breast cancer imaging, which, by consequent studies, can be taken up to clinical usage.
}, keywords = {Breast cancer, Gold nanorods, imaging probes, Multimodal Imaging}, issn = {1552-4973}, doi = {10.1002/jbm.b.35543}, author = {Varma, Sanjana and Bamb, Aagam Lalit and Haldar, Niladri and Gajbhiye, Virendra and Amalnerkar, Dinesh and Chaudhari, Bhushan Pradosh} } @article {49425, title = {Gram-scale synthesis of ({\textpm})-tylophorine}, journal = {Synlett}, volume = {36}, year = {2025}, month = {MAR}, pages = {536-540}, type = {Article}, abstract = {
We report a practical scalable synthesis of the natural product (+/-)-tylophorine by using an operationally simple protecting-group-free route from readily accessible starting materials. Synthesis of a cyclic N-acetyl diester compound through cyclization, followed by two key steps (decarboxylation and a Clemmensen reduction), provides access to the target molecule.
}, keywords = {alkaloids, Clemmensen reduction, decarboxylation, gram-scale synthesis, tylophorine}, issn = {0936-5214}, doi = {10.1055/a-2351-4828}, author = {Masal, Dattatraya P. and Reddy, D. Srinivasa} } @article {49617, title = {Graphitic carbon nitride supported boron quantum dots: a transition metal free alternative for di-nitrogen to ammonia reaction}, journal = {CHEMPHYSCHEM}, volume = {26}, year = {2025}, month = {MAR}, type = {Article}, abstract = {
Presently, a sustainable electrochemical Nitrogen Reduction Reaction (NRR) has been essentially found to be viable on transition metal-based catalysts. However, being cost-effective and non-corrosive, metal-free catalysts present an ideal solution for a sustainable world. Herein, through a DFT-based study, we demonstrate metal-free NRR catalysts, boron quantum dots with 13 atoms as a case study and their chemically modified counterparts when anchored on graphitic carbon nitride (g-C3N4) surface. The best catalyst among the studied, a silicon-doped boron quantum dot with a cagelike structure, is found to favour the dinitrogen to ammonia reaction pathway with a low liming potential and potential rate-determining step (PDS) of -0.11 V and 0.27 eV, respectively. The present work demonstrates as to how boron quantum dots, which are reported to be experimentally synthesised, can be exploited for ammonia synthesis when supported on the surface. These catalysts effectively suppress the HER, thus establishing its suitability as an ideal catalyst. The work also represents a futuristic pathway towards a metal-free catalyst for NRR.
}, keywords = {Boron quantum dot, Electro-catalyst, Graphitic carbon nitride, hydrogen evolution reaction, Limiting potential, metal free catalyst, Nitrogen Reduction Reaction}, issn = {1439-4235}, doi = {10.1002/cphc.202400766}, author = {Samudre, Nikhil S. and Krishnamurty, Sailaja} } @article {49595, title = {Graphitic-C3N4/γ-Al2O3 composite catalyst for synthesis of 5-(Hydroxymethyl) furfural from d-Glucose}, journal = {Energy \& Fuels}, volume = {39}, year = {2025}, month = {APR }, pages = {8529-8539}, type = {Article}, abstract = {
Currently, the synthesis of 5-hydroxymethylfurfural (5-HMF), with high yields and selectivity from different renewable sources, is an important focus in the biomass conversion area. In the present study, a g-C3N4/gamma-Al2O3(1:1) composite catalyst was prepared using graphitic carbon nitride (g-C3N4) and acidic gamma-alumina (gamma-Al2O3), which was evaluated for its catalytic activity in converting sugars, mainly glucose, to 5-HMF. In the g-C3N4/gamma-Al2O3(1:1) catalyst, N-containing groups on g-C3N4 provided basicity and gamma-Al2O3 provided Lewis acidity to the catalyst. The g-C3N4/gamma-Al2O3(1:1) composite catalyst showed superior activity for 5-HMF synthesis compared to gamma-Al2O3 and g-C3N4 alone. The increased acidic and basic properties of the g-C3N4/gamma-Al2O3(1:1) catalyst significantly influenced both glucose-to-fructose isomerization and dehydration of fructose to HMF by increasing the yield of 5-HMF. In addition, the solvent DMSO:water also played an important role in the one-pot conversion of glucose to HMF by minimizing side reactions, which significantly improved the 5-HMF yield. The reaction was optimized for various solvents, temperatures, and catalyst concentrations to get a maximum yield of 91\% from glucose with \>99\% selectivity of crude 5-HMF. Other sugars like fructose, sucrose, and lactose also provided good yields of 5-HMF. The g-C3N4/gamma-Al2O3(1:1) catalyst was stable and was effectively reused for up to four cycles.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.5c00390}, author = {Kirdant, Swapnali P. and Ghadge, Sambhaji S. and Jadhav, Vrushali H.} } @article {49457, title = {Green engineering of cellulose nanofibers and nanopapers from Wodyetia bifurcata fruits: a sustainable approach with emphasis on process optimization and tensile property assessment}, journal = {Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {MAY}, pages = {9321-9335}, type = {Article}, abstract = {
Nanocellulose emerges as a highly promising material with versatile applications, offering solutions to environmental and sustainability challenges. This study delves into the extraction of cellulose nanofibers (CNFs) from\ Wodyetia bifurcata\ fruit pulp through mild oxalic acid hydrolysis assisted by steam explosion. To ensure environmental compatibility, chlorine-free pre-treatments were applied to eliminate non-cellulosic components. Chemical composition analysis verified the effective removal of non-cellulosic elements, validated by Fourier transform infrared spectroscopy (FTIR). Solid-state\ 13C nuclear magnetic resonance (13C NMR) spectroscopy confirmed the presence of type I cellulose α-polymorph in the CNF, while a crystallinity index of 60\% was determined by X-ray diffraction analysis (XRD). The transmission electron microscopy (TEM)\ images revealed a fibrous morphology with a fiber diameter ranging from 9 to 36\ nm. Dynamic light scattering (DLS) was employed to corroborate the observed fiber diameter. Mild acid hydrolysis elevated the maximum degradation temperature (Tmax) of CNF to 39\ {\textdegree}C compared to the pristine sample. Furthermore, this research explores the application of CNFs in nanopaper development using a casting method. The resulting nanopapers exhibited a tensile strength of ~ 17\ MPa and a transmittance of 25\%. These nanopapers present a viable pathway toward eco-friendly products in various industries, promising to revolutionize upcoming sustainable packaging technologies.
}, doi = {10.1007/s13399-024-05751-7}, author = {Sankar, Sameera and Neenu, K. V. and Parameswaranpillai, Jyotishkumar and Ajithkumar, T. G. and Shelke, Ankita Ramesh and Begum, P. M. Sabura and Bipinbal, P. K. and George, Tresa Sunitha and Badawi, Michael and Dominic, Midhun} } @article {49438, title = {Green one-pot three component synthesis of thiazolidine-2,4-dione based bisspirooxindolo-pyrrolidines with [Bmim]BF4: their in vitro and in silico anti-TB studies}, journal = {Molecular Diversity}, volume = {29}, year = {2025}, month = {FEB}, pages = {303-317}, type = {Article}, abstract = {
A simple and effective three-component one-pot green methodology was employed for the synthesis of a new thiazolidine-2,4-dione based bisspirooxindolo-pyrrolidine derivatives using [Bmim]BF4 ionic liquid via [3 + 2] cycloaddition reaction. It is an environmentally benign, column chromatography-free, shorter reaction time, good yield and easy product isolation method. The synthesized compounds 10a-x, were thoroughly characterized by using various spectroscopic methods like FT-IR, H-1 NMR, C-13 NMR, Mass spectrometry and finally by single crystal X-ray diffraction method. In vitro anti-tubercular (anti-TB) activity studies were carried out on these synthesized compounds, and they showed good to moderate anti-TB activity against Mycobacterium tuberculosis H37Rv strain. The compound 10a exhibited good anti-TB activity, with an MIC (Minimum Inhibitory Concentration) value of 12.5 mu g/mL, and the compounds 10m, 10o and 10r showed moderate activity with an MIC value of 25.0 mu g/mL. Remaining compounds exhibited poor activity against Mycobacterium tuberculosis. Ethambutol, rifampicin and isoniazid were used as standard drugs. Furthermore, in silico molecular docking experiments on the TB protein (PDB ID: 1DF7) were carried out to understand the binding interactions, and they showed least binding energy values ranging from -8.9 to -7.2 kcal/mol.
}, keywords = {4-dione based bisspirooxindolo-pyrrolidines, Anti-TB activity, green synthesis, Molecular docking, Thiazolidine-2, [3+2] cycloaddition reaction, [Bmim]BF4}, issn = {1381-1991}, doi = {10.1007/s11030-024-10853-5}, author = {Rukyanaik, V. and Gamidi, Rama Krishna and Kumari, Jyothi and Sriram, Dharmarajan and Basavoju, Srinivas} } @article {49590, title = {Heteroatom-synergistic effect on anchoring polysulfides in chalcone-linked nanographene covalent organic frameworks for high-performance Li--S batteries}, journal = {Advanced Science}, volume = {12}, year = {2025}, month = {APR}, type = {Article}, abstract = {
Lithium-sulfur (Li \& horbar;S) batteries are an attractive option for future energy storage devices because they offer higher theoretical specific capacity, energy density, and cost-effectiveness than commercial lithium-ion batteries. However, the practical applications of Li \& horbar;S batteries are significantly limited by the shuttle effect caused by intermediate lithium polysulfides (LiPSs) and slow redox kinetics. In this study, the molecular engineering of chalcone-linked, sp(2)-bonded nanographene-type covalent organic frameworks (COFs) as sulfur hosts is reported to enhance interactions with LiPSs, thereby effectively suppressing the shuttle effect. The developed sulfur-hosting cathode material demonstrated outstanding battery performance, surpassing most reported materials by achieving a specific capacity of 1228 mA h g(-1) at 0.5C, with 80\% retention after 500 cycles and an average Coulombic Efficiency (C.E.) of 99\%. Additionally, the mechanisms of sulfur immobilization, the subsequent conversion into lithium polysulfides (LiPSs), and their binding energies with COFs are investigated using density functional theory (DFT) calculations. These findings offer valuable insights into the structure-property relationships essential for developing more efficient sulfur-hosting cathodes.
}, keywords = {anion-pi interaction, covalent organic frameworks, lithium-sulfur battery, nanographene, polysulfide shuttle}, doi = {10.1002/advs.202415897}, author = {Ranjeesh, Kayaramkodath Chandran and Javaregowda, Bharathkumar H. and Gaber, Safa and Bhauriyal, Preeti and Kumar, Sushil and Skorjanc, Tina and Finsgar, Matjaz and Heine, Thomas and Krishnamoorthy, Kothandam and Shetty, Dinesh} } @article {49574, title = {Heteropolyacid-assisted efficient one-pot synthesis of ethyl levulinate from biorenewable feedstocks}, journal = {Energy \& Fuels}, volume = {39}, year = {2025}, month = {JAN }, pages = {3131-3139}, type = {Article}, abstract = {
Amid rising environmental concerns over fossil fuel dependence, biomass-derived alkyl levulinates, particularly ethyl levulinate (EL), have gained prominence due to their versatility in applications ranging from biofuels to lubricants and green solvents. This study presents an efficient, one-pot catalytic conversion of various carbohydrates (glucose, fructose, and sucrose) into EL using a tailored Keggin-type heteropolyacid catalyst with a vanadium-to-tungsten atom ratio of 1:11. Vanadium substitution imparts higher acidity and redox properties to the catalyst, which is reflected in the catalytic performance. The catalyst demonstrated outstanding performance, achieving high EL yields of 98 +/- 1\% from sucrose, 93 +/- 2\% from fructose, and 82 +/- 2\% from glucose under batch processing conditions (180 degrees C, absolute ethanol solvent, 27 wt \% catalyst, 2 h). The high yield of EL may be assigned to the presence of both Br \& oslash;nsted and Lewis acid sites, which promotes key reactions like isomerization and ethanolysis. Moreover, a significant EL yield of 85 +/- 2\% was obtained from cellulose feedstock, which showcases the efficiency of this catalyst. The use of absolute ethanol as solvent enhanced esterification prospects, preventing hydrolysis and promoting higher EL yields, while the presence of water as cosolvent favored the formation of levulinic acid. These findings demonstrate the potential of vanadium-substituted heteropolyacid catalysts for efficient biomass valorization, offering a sustainable pathway for the large-scale production of EL from renewable feedstocks.
}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.4c05189}, author = {Jagannivasan, Gopika and Haridas, Suja and Marimuthu, Banu and Mukundan, Swathi} } @article {49555, title = {High levels of sinigrin trigger synthesis of fatty acids in Plutella xylostella (L.)}, journal = {Comparative Biochemistry and Physiology D-Genomics \& Proteomics}, volume = {54}, year = {2025}, month = {JUN}, pages = {101424}, type = {Article}, abstract = {
Diamondback moth (Lepidoptera: Plutellidae; Plutella xylostella L.) is a specialist insect of the Brassicaceae family, damaging economically important crops, such as cabbage and cauliflower. Glucosinolates, also known as {\textquoteleft}mustard oil bombs{\textquoteright} are present in all Brassicaceae members, of which sinigrin (allyl-glucosinolate or 2-propenylglucosinolate) is a major aliphatic compound. During herbivory, glucosinolates are converted to toxic isothiocyanates that deter insect pests. P. xylostella possesses glucosinolate sulfatases that desulfate them. Such a conversion renders them unfit for degradation to toxic products. Changes in the larval performance prompted us for RNA sequencing to understand probable adaptation mechanism under sinigrin stress. Differentially expressed genes were found to be related to larval cuticle proteins. Further, gene ontology and KEGG (Kyoto Encyclopedia of Genes and Genomes) analyses depict genes belonging to the categories, integral component of membrane, cellular processes and those involved in biosynthesis of fatty acids. Upregulation of cuticular genes viz. larval cuticle protein-17 (LCP-17), cuticular protein-19 (2CP-19) and ATP binding cassette transporter C7 (ABCC7), ABCC16 was validated by qRT-PCR. Liquid chromatography quadrupole time of flight mass spectrometry analysis of whole larvae feeding on sinigrin and their separated cuticle, depicted abundance of fatty acids. Changes in the topography of the larval cuticle were evident by scanning electron microscopy. Expression of PxABCH1 was corroborated to its role in the transport of cuticular lipids. Notably, molecular docking of PxABCH1 with cuticular fatty acids showed favorable binding interactions. To summarize, integrated transcriptomic and metabolomic analyses suggest that in response to a diet containing a high dose of sinigrin, P. xylostella re-programs metabolic pathways related to fatty acid biosynthesis that directly influence insect development.
}, keywords = {ABC transporter, Cuticle, Host metabolite, Metabolome, Plutella xylostella, Sinigrin, Transcriptome}, issn = {1744-117X}, doi = {10.1016/j.cbd.2025.101424}, author = {Barve, Pranoti R. and Barvkar, Vitthal T. and Giri, Ashok P. and Kotkar, Hemlata M.} } @article {49564, title = {Highly permselective contorted polyamide desalination membranes with enhanced free volume fabricated by mLbL assembly}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {JAN}, pages = {9716-9727}, type = {Article}, abstract = {
The permeability-selectivity trade-off in polymeric desalination membranes limits the efficiency and increases the costs of reverse osmosis and nanofiltration systems. Ultrathin contorted polyamide films with enhanced free volume demonstrate an impressive 8-fold increase in water permeance while maintaining equivalent salt rejection compared to conventional polyamide membranes made with m-phenylenediamine and trimesoyl chloride monomers. The solution-based molecular layer-by-layer (mLbL) deposition technique employed for membrane fabrication sequentially reacts a shape-persistent contorted diamine monomer with a trimesoyl chloride monomer, forming highly cross-linked, dense polyamide networks while avoiding the kinetic and mass transfer limitations of traditional interfacial polymerization. The mLbL process allows precise nanoscale control over polyamide selective layer thickness, network structure, and surface roughness. The resulting controlled film thicknesses enable direct measurements of water and NaCl permeabilities. The permselectivities of contorted polyamide membranes surpass those of commercial desalination membranes and approach the reported polyamide upper bound. Solution-diffusion transport modeling indicates that this high permselectivity may be attributed to enhanced water transport pathways in the contorted polyamides that increase water diffusivity-permeability while maintaining high solute rejection through solubility-selectivity.
}, keywords = {Desalination, molecular layer-by-layer assembly, permselectivity, polyamide, polymers of intrinsicmicroporosity, triptycene, Troger{\textquoteright}s base}, issn = {1944-8244}, doi = {10.1021/acsami.4c14332}, author = {Shaligram, Sayali and Shevate, Rahul and Paul, Siddhartha and Shaffer, Devin L.} } @article {49577, title = {High-performance polysulfide-trapping lithium sulfur battery cathode: cubic Co3O4 catalyst within a nitrogen-doped entangled graphene framework}, journal = {ChemElectroChem}, volume = {12}, year = {2025}, month = {FEB}, pages = {e202400488}, type = {Article}, abstract = {
The cycling performance of lithium-sulfur (Li-S) batteries is hampered by polysulfide dissolution which impacts the overall performance of Li-S batteries. Here we report the synthesis and characterization of polysulfide trapping cathode material for Li-S batteries based on Co3O4 nanocubes supported within a nitrogen-doped entangled graphene (Co3O4/NEGF). The highly porous conductive graphene network is shown to facilitate fast electron transport and ion diffusion while the nitrogen dopants and polar Co3O4 offer both abundant active sites for polysulfide conversion while promoting intermediate polysulfide binding. The porous structure allows for high sulfur loading of 76.4 wt \% (S@Co3O4/NEGF), while efficiently accommodating volumetric expansion during charge-discharge. The Co3O4/NEGF cathode composite exhibited a high specific capacity of 1143 mAh g-1 at a current density of C/20 and maintained a 79 \% reversible capacity after 200 cycles at C/5.
}, issn = {2196-0216}, doi = {10.1002/celc.202400488}, author = {Manna, Narugopal and Soni, Roby and Young, R. S. and Jervis, Rhodri and Miller, Thomas S.} } @article {49596, title = {Hot injection assisted electronically modulated twin and grain boundary rich sub-2 nm pt3co alloy resistant to phosphate ion for PEMFCs}, journal = {Small}, volume = {21}, year = {2025}, month = {MAY}, type = {Article}, abstract = {
Modulation of the electronic d-band center, structural defects (line defects), and particle size of Pt3Co alloy electrocatalyst have huge significance in elevating its electrochemical oxygen reduction reaction activity. Deviating from traditional high-temperature strategies, the current work focuses on ripening these benefits by implying a simple economically viable hot-injection-assisted modified polyol process. A conclusive control over decrementing particle size starting from 2.7 to 1.3 nm, an increasing degree of strain (twin boundary), and shifting of the d-band center away from the Fermi level are obtained via varying the temperature to which the solution is injected. The catalyst prepared via the injection at 200 degrees C (Pt3Co(1.3 t,g-b)/fVC-200) has delivered an electrochemical surface area of 84 m(2) g(Pt)(-1) with the onset and half-wave potentials of 0.980 and 0.858 V, respectively, versus RHE and a limiting current of -6.0 mA cm(-2) with stability till 20k cycles. In the high-temperature proton exchange membrane fuel cell Pt3Co(1.3 t,g-b)/fVC-200-based cell has outperformed Pt/C rendering 600 mWcm(-2) under H-2-Air compared to 529 mWcm(-2) of Pt/C with 20\% lower Pt loading and double the stability due to enhanced resistance toward phosphoric acid for accelerated voltage cycling. A similar enhancement is seen while employing the catalyst for low-temperature fuel cells.
}, keywords = {electrocatalyst, grain boundary, hot injection synthesis, modified polyol process, oxygen reduction reaction, proton exchange membrane fuel cell, Pt3Co alloy, twin boundary, valance band X-ray photoelectron spectroscopy}, issn = {1613-6810}, doi = {10.1002/smll.202500954}, author = {Singh, Mayank U. and Jadhav, Swapnil D. and Shivankar, Bhavana R. and Pandikassala, Ajmal and Kumar, Yogesh and Krishnamurty, Sailaja and Vinod, C. P. and Kurungot, Sreekumar} } @article {49551, title = {Hybrid pincer (PNN)Ni(II) complex catalyzed selective C-H alkylation of pyridones using unactivated alkyl chlorides}, journal = {ACS Catalysis}, volume = {15}, year = {2025}, month = {FEB}, pages = {2987-2999}, type = {Article}, abstract = {
The use of readily accessible unactivated alkyl chlorides in the alkylation reaction to install valuable alkyl and methyl motifs into privileged heterocycles is an underdeveloped area. Herein, we report the regioselective C-H alkylation of diverse pyridones employing challenging unactivated alkyl chlorides as coupling partners, enabled by a strategically developed quinolinyl-based pincer (Ph2PNNQ)Ni(II) complex. The air-stable nickel catalyst is highly effective for the selective alkylation of functionalized 2-pyridones with both primary and secondary alkyl chlorides as well as for the unexpected C6 methylation, furnishing a wide range of 6-alkyl-2-pyridone scaffolds (78 examples). Remarkably, the alkyls bearing biologically and pharmacologically significant motifs, such as pterostilbene, nonyl phenol, sesamol, estrone, vitamin E, stigmasterol, cholesterol, and diosgenin, were compatible under this catalytic approach. The insights into the mechanism suggest that the alkylation reaction follows a Ni(II)/Ni(III)/Ni(IV) pathway involving the crucial two-step, one-electron oxidative addition of alkyl chloride. Several control studies, kinetics, and EPR analyses were performed to understand the detailed reaction pathway, further supported by density functional theory calculations.
}, keywords = {alkyl chlorides, C-H/C-Cl activation, hybrid pincer ligand, Mechanism, Nickel, pyridones}, issn = {2155-5435}, doi = {10.1021/acscatal.4c07173}, author = {Verma, Suryadev K. and Samal, Pragnya Paramita and Pradhan, Chandini and Pandey, Dilip K. and Krishnamurty, Sailaja and Punji, Benudhar} } @article {49573, title = {Hydrogel electrolyte-mediated in situ Zn-anode modification and the Ru-RuO2/NGr-coated cathode for high-performance solid-state rechargeable Zn-air batteries}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {JAN}, pages = {3188-3204}, type = {Article}, abstract = {
This work aims to deal with the challenges associated with designing complementary bifunctional electrocatalysts and a separator/membrane that enables rechargeable zinc-air batteries (RZABs) with nearly solid-state operability. This solid-state RZAB was accomplished by integrating a bifunctional electrocatalyst based on Ru-RuO2 interface nanoparticles supported on nitrogen-doped (N-doped) graphene (Ru-RuO2/NGr) and a dual-doped poly(acrylic acid) hydrogel (d-PAA) electrolyte soaked in KOH with sodium stannate additive. The catalyst shows enhanced activity and stability toward the two oxygen reactions, i.e., oxygen reduction and evolution reactions (ORR and OER), with a very low potential difference (Delta E) of 0.64 V. The computational insights bring out the electronic factors contributing to the enhanced catalytic activity of Ru-RuO2/NGr based on the charge density difference (CDD) between the interfaces. The disadvantages of the existing solid-state RZABs, such as their limited lifespan brought on by passivation, dendritic growth, corrosion, and shape change, have also been taken into account. The introduction of the stannate additive to the electrolyte induced an in situ Zn-anode modification, which subsequently improved the interfacial stability of the ZABs and, hence, the battery life cycles. The experimental observations reveal that, during the charging process, the Sn nanoparticles enable the homogeneous Zn deposition on the surface of the anode. Thus, the in situ Zn-anode surface modification assisted in achieving a high-rate cycle capability, viz., the homemade catalyst-based system exhibited continuous charge-discharge cycles for 20 h at a current density of 2.0 mA cm-2, with each cycle lasting for 5 min.
}, keywords = {Bifunctional Electrocatalyst, Core-ShellStructure, DFT study, electrolyte additive, Hydrogel, solid-state rechargeable zinc-airbattery, X-ray absorption spectroscopy}, issn = {1944-8244}, doi = {10.1021/acsami.4c14231}, author = {Kharabe, Geeta Pandurang and Verma, Tushar and Barik, Sidharth and Urkude, Rajashri R. and Ayasha, Nadeema and Ghosh, Biplab and Krishnamurty, Sailaja and Kurungot, Sreekumar} } @article {49412, title = {Hypervalent-iodine-mediated base-free oxidative olefination of benzylic amines to access α,β-unsaturated ketones}, journal = {Synlett}, volume = {36}, year = {2025}, month = {AUG}, pages = {556-560}, type = {Article}, abstract = {
We report a one-pot base-free protocol for the oxidative olefination of benzylic amines promoted by a hypervalent iodine reagent for the synthesis of alpha,beta-unsaturated ketones. Mechanistically, (diacetoxyiodo)benzene oxidizes the benzylic amine to the corresponding imine, which, on reaction with a phenacyl(triphenyl)phosphonium bromide salt and an in situ generated acetoxy anion leads to an alpha,beta-unsaturated ketone. A wide range of alpha,beta-unsaturated ketones were easily accessed through direct oxidative olefination of substituted benzylic amines in good to excellent yields and with high E -selectivity.
}, keywords = {benzylic amines, enones, hypervalent iodine, olefination, Oxidation}, issn = {0936-5214}, doi = {10.1055/s-0043-1775392}, author = {Rupanawar, Bapurao D. and Bansode, Ajay H. and Suryavanshi, Gurunath} } @article {49513, title = {An in-depth study of the Fe-Se system at the nanoscale reveals remarkable results on the electrocatalytic oxygen evolution reaction}, journal = {European Journal of Inorganic Chemistry}, volume = {28}, year = {2025}, month = {MAR}, type = {Article}, abstract = {
A catalyst for an electrocatalytic oxygen evolution reaction (OER) is a key component of the large-scale storage of renewable energy through the conversion of water into oxygen and hydrogen. Iron-based selenide materials are currently being considered as potential options for electrocatalytic oxygen evolution reaction (OER) because of their, widespread availability, low cost, and outstanding performance. In this study, we employed a thermal decomposition method to synthesize all stable phases of the Fe-Se system, including Fe7Se8, Fe3Se4, FeSe2, and FeSe. Additionally, we slurry-coated these phases onto a three-dimensional (3D) nickel foam substrate. The prepared 3D electrodes of Fe7Se8, Fe3Se4, FeSe2, and FeSe exhibit remarkably low overpotentials of 270, 276, 299, and 289 mV at a current density of 50 mA/cm2 for OER. In addition, the catalytic activity for OER is also tested on glassy carbon electrodes to compare its performance with the Ni-foam 3D substrate. The Fe7Se8 phase in the Fe-Se system exhibits the highest catalytic activity towards OER on both substrates due to variations in the Fe2+/Fe3+ ratio and the presence of Fe vacancies (cation vacancies) within the crystal lattice. Moreover, a faradaic efficiency of 98 \% was exhibited by Fe7Se8 for the oxygen evolution reaction (OER).
}, keywords = {Iron selenide system, OER electrocatalyst, Thermal decomposition method}, issn = {1434-1948}, doi = {10.1002/ejic.202400743}, author = {Singh, Dinesh and Ghalawat, Monika and Poddar, Pankaj} } @article {49546, title = {Interrupted borrowing hydrogen strategy enabled aminomethylation and direct cross-dehydrogenative coupling strategy enabled dicarbonylation reactions of imidazo[1,5-a]pyridines}, journal = {Chemical Communications}, volume = {61}, year = {2025}, month = {FEB}, pages = {3021-3024}, type = {Article}, abstract = {
Herein, we disclose the development of novel aminomethylation and dicarbonylation reactions of imidazo[1,5-a]pyridines. The developed aminomethylation strategy involves a Pd-catalyzed interrupted borrowing hydrogen strategy by utilizing MeOH as the methylene source. A wide variety of imidazo[1,5-a]pyridines and secondary amines were explored for the developed strategy. The established imidazo[1,5-a]pyridine dicarbonylation strategy involves a catalyst/additive-free direct cross-dehydrogenative coupling reaction between imidazo[1,5-a]pyridines and 2-oxoaldehydes.
}, issn = {1359-7345}, doi = {10.1039/d4cc06272h}, author = {Mahajan, Shivangani and Bag, Debojyoti and Kour, Harpreet and Sawant, Sanghapal D.} } @article {49552, title = {Investigating the visible range photoresponse of an organic single-crystal analogue of the green fluorescent protein}, journal = {Nanoscale}, volume = {17}, year = {2025}, month = {APR}, pages = {8614-8623}, type = {Article}, abstract = {
The growing demand for lightweight, flexible, semi-transparent and low-cost photodetectors (PDs) in wearable electronics and optical communication systems has prompted studies to investigate organic materials as feasible alternatives to conventional inorganic PDs. However, modern organic PDs often face responsivity, detectivity, and photoresponse speed limitations, particularly in the visible range. Here, we present the photoresponse of an organic single-crystal analogue of the green fluorescent protein (GFP) chromophore photodetector, fabricated on a silicon nitride substrate. A significant increase in photocurrent was detected upon illumination with visible wavelengths (532 nm, 630 nm, and halogen light). A remarkably consistent and repeatable photoresponse was obtained during the ON and OFF illumination cycles. The device showed the dependence of photocurrent on the applied bias voltages. The measured photocurrent, responsivity, detectivity, rise time, decay time, noise equivalent power and external quantum efficiency are studied for different wavelengths. Strikingly, the fabricated device demonstrates excellent performance in the visible region compared to several conventional organic and inorganic PDs. The observed responsivity and detectivity values for the device are 98 mA W-1 and 7.94 x 108 Jones, respectively. Furthermore, the device also exhibits rapid photoresponse dynamics with a rise time of 180 ms and a decay time of 152 ms. The excellent photodetection features indicate that the single crystal GFP could serve as a versatile broadband material for future applications in optoelectronics.
}, issn = {2040-3364}, doi = {10.1039/d4nr05252h}, author = {Virole, Vishal and Dabke, Niteen and Verma, Sahil and Kumar, Ajay and Pandya, Rinu and Husale, Sudhir and Vanka, Kumar and Gonnade, Rajesh and Kanawade, Rajesh} } @article {49526, title = {Investigations into the nucleation dynamics of the stable Na-metal anode: revealing the role of a tin-infused carbon nanofiber interlayer}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {FEB}, pages = {12281-12290}, type = {Article}, abstract = {
Fundamental understanding and controlling of sodium nucleation are essential for enhancing the performance, safety, and longevity of sodium metal batteries, which is not yet clearly understood in the case of sodium metal batteries. The present study showcases how a modification in the host material influences nucleation kinetics. Current-time transient studies on copper, carbon nanofiber, and tin-embedded carbon nanofiber interlayers employing the Scharifker-Hills model elucidate the mode of nucleation. This work tries to delve deep and presents a case study on how a tin-based interlayer can not only minimize the barrier for sodium nucleation but also direct the sequential progressive and instantaneous nucleation of sodium metal while reducing the overpotential substantially, resulting in crystalline, uniform Na-metal deposition. Further, to account for the complex dynamics of solid electrolyte interphase (SEI) formation distinctly associated with alkali metal deposition, the SEI-fracture model has been included, and the quantification of electrochemical nucleation parameters is obtained. The results provide important insights into the sodium nucleation mechanism, paving the way to counter dendrite formation and SEI dissolution issues of the Na-metal anode.
}, keywords = {overpotential, progressiveand instantaneous nucleation, Scharifker-Hills model, SEI-fracture model, tin interlayer}, issn = {1944-8244}, doi = {10.1021/acsami.4c21837}, author = {Wasnik, Kundan and Yadav, Poonam and Ahuja, Manuj and Mirzapure, Vinay and Johari, Priya and Shelke, Manjusha V.} } @article {49562, title = {Iron mediated oxidative ring opening-homocoupling of cyclopropanols: facile access to 1,6-diketones}, journal = {ChemistrySelect}, volume = {10}, year = {2025}, month = {MAY}, pages = {e202501745}, type = {Article}, abstract = {
We have developed a new approach for the synthesis of 1,6-diketones via iron-catalyzed ring opening of cyclopropanol with a nontoxic, inexpensive iron catalyst under open-air conditions. This method eliminates the need for additives and employs tert-butanol as an eco-friendly solvent. This methodology allows rapid access to a variety of symmetrical 1,6-diketones under mild conditions. Preliminary mechanistic studies revealed the involvement of radical pathways.
}, keywords = {1, 6-Diketone synthesis, C \& horbar, C bond cleavage, cyclopropanols, Homocoupling, Iron mediated}, issn = {2365-6549}, doi = {10.1002/slct.202501745}, author = {Shinde, Ravi A. and Shirsath, Sachin and Muthukrishnan, M.} } @article {49597, title = {Iron-catalyzed chemoselective reduction of enimines to N-Allylic amines via hydrosilylation}, journal = {Asian Journal of Organic Chemistry}, volume = {14}, year = {2025}, month = {MAY}, type = {Article}, abstract = {
Chemoselective hydrosilylation of unsaturated imines is challenging as the two double bonds compete for the reaction. Here in, we report an iron-catalyzed chemoselective hydrosilylation of enimines leading to the generation of allyl amines in the presence of phosphine ligand. A low-valent Fe(0) complex [(BDA)Fe(CO)3] catalyzed the hydrosilylation of enimine at room temperature and exhibited broad substrate scope including a variety of enimine (cinnamylimine, allylimine) and ketimine. Mechanistic investigations revealed that the reaction proceeds through an oxidative addition of the silane compound, leading to the formation of an iron hydride intermediate. Subsequently, a two-electron pathway facilitates the hydrosilylation of the enimine substrate. This has been supported by preparing a well-defined Fe(II)-silane complex and using it as a catalyst control. Based on experimental and computational investigations, a plausible Chalk-Harrod-type mechanism is proposed.
}, keywords = {Cinnamyl amine, Imine hydrosilylation, iron catalysis, Iron hydride, Phosphine}, issn = {2193-5807}, doi = {10.1002/ajoc.202400762}, author = {Tewari, Tanuja and Shaikh, Maulali H. and Sharma, Himanshu and Vanka, Kumar and Chikkali, Samir H.} } @article {49523, title = {Isobaric vapor-liquid-equilibrium data measurement of toluene with ethyl acetate, n-Propyl Acetate, Iso-propyl Acetate, Iso-butyl Acetate, and Iso-amyl Acetate: experiments and modeling}, journal = {Journal of Chemical and Engineering Data}, volume = {70}, year = {2025}, month = {MAR}, pages = {1652-1663}, type = {Article}, abstract = {
The isobaric vapor-liquid equilibrium (VLE) data of the systems (ethyl acetate + toluene), (n-propyl acetate + toluene), (iso-propyl acetate + toluene), (toluene + iso-butyl acetate), and (toluene + iso-amyl acetate) were measured under the isobaric condition at 92 kPa using a glass dynamic recirculation apparatus. The experimental VLE data was correlated by NRTL, Wilson, and UNIQUAC activity coefficient models to account for the nonideality. The binary interaction parameters of the models were obtained by regressing the experimental data using the maximum likelihood objective function. The thermodynamic consistency of the experimental data was checked by using the Van Ness test and the infinite dilution test. Extrapolating the activity coefficient at infinite dilution was done by regressing the experimental data with an extended Redlich-Kister equation. The NRTL, Wilson, and UNIQUAC models exhibited a maximum root-mean-square deviation less than unity for temperature and vapor mole fraction. Additionally, it is worth noting that no azeotrope was identified in the VLE data in this study.
}, issn = {0021-9568}, doi = {10.1021/acs.jced.4c00624}, author = {Sutar, Dipak S. and Mali, Nilesh A. and Ghuge, Pravin D.} } @article {49550, title = {Isobavachalcone ameliorates Alzheimer disease pathology by autophagy-mediated clearance of amyloid beta and inhibition of NLRP3 inflammasome in primary astrocytes and 5x-FAD mice}, journal = {Frontiers in Pharmacology}, volume = {16}, year = {2025}, month = {MAR}, pages = {1525364}, type = {Article}, abstract = {
Background and Aim Alzheimer{\textquoteright}s disease (AD) progresses with A beta plaque deposition and neuroinflammation. Given the complexity of AD pathology, single-target therapies have frequently failed in clinical trials. We hypothesized that a multitarget approach could yield better therapeutic outcomes. To this end, we identified isobavachalcone (IBC), a natural compound with dual pharmacological activity in reducing A beta plaques and neuroinflammation.Experimental Procedure Primary astrocytes were isolated from 3 to 4 days old C57BL/6J mice pups for in-vitro assays, while in-vivo studies were conducted on 5x-FAD mice. Protein alterations were evaluated using ELISA, western blotting, immunocytochemistry, and immunohistochemistry. Behavioral analyses included the radial arm maze, open field, and rotarod tests. Data from all in vitro and in vivo experiments were analyzed by using one-way ANOVA and post-hoc Bonferroni tests.Results In-vitro analyses in astrocytes demonstrated that IBC at 5 and 10 mu M concentrations induce AMPK phosphorylation through CAMKK2, promoting autophagy and inhibiting the NLRP3 inflammasome in primary astrocytes. IBC-treated astrocytes exhibited significant clearance of extracellular amyloid beta. Mechanistic studies highlighted autophagy as a key factor in reducing both NLRP3 inflammasome activity and A beta levels. Two months of treatment of 5x-FAD mice with IBC at 25 and 50 mg/kg significantly improved cognitive functions, as evidenced by enhanced memory and motor performance in behavioral tests. Subsequent brain tissue analysis revealed that IBC upregulated autophagic proteins to reduce the brain{\textquoteright}s amyloid beta levels, resulting in decreased expression of neuroinflammation markers.Conclusion IBC effectively ameliorates AD pathology through autophagy-mediated clearance of A beta and suppressing neuroinflammation in 5x-FAD mice.
}, keywords = {Alzheimer disease, Amyloid beta, Autophagy, isobavachalcone, neuroinflammation, NLRP3 inflammasome}, doi = {10.3389/fphar.2025.1525364}, author = {Kour, Dilpreet and Khajuria, Parul and Sharma, Kuhu and Sharma, Alpa and Sharma, Ankita and Ali, Syed Mudassir and Wazir, Priya and Ramajayan, P. and Sawant, Sanghapal D. and Nandi, Utpal and Ahmed, Zabeer and Kumar, Ajay} } @article {49418, title = {Kinetic investigation on palladium-catalyzed carbonylation of allyl alcohol}, journal = {International Journal of Chemical Kinetics}, volume = {57}, year = {2025}, month = {OCT}, pages = {153-163}, type = {Article}, abstract = {
Palladium-catalyzed carbonylation of allyl alcohol to 3-butenoic acid has been investigated. A significant effect of halide promoters, p-tolylsulfonic acid (TsOH), water, solvents, and PPh3 concentration activity and selectivity has been studied. Detailed kinetics of this reaction was investigated in a temperature range of 363-383 K. The influence of parameters such as stirring speed, allyl alcohol, catalyst, benzyltriethylammonium chloride (BTEAC), TsOH concentrations, and CO partial pressures on the activity and selectivity has been studied. An empirical rate equation was suggested and found to be fairly consistent with observed rate data. In addition, the activation energy and kinetic parameters were evaluated.
}, keywords = {allyl alcohol, Carbonylation, halide promoters, kinetics, Mechanism, Palladium}, issn = {0538-8066}, doi = {10.1002/kin.21767}, author = {Tonde, Sunil S. and Rajurkar, Kalpendra B. and Pagar, Nitin S.} } @article {49560, title = {Liquid phase nitration of benzene to nitrobenzene using a mesoporous MoO3/Nb2O5 nanocatalyst}, journal = {Catalysis Letters}, volume = {155}, year = {2025}, month = {APR}, pages = {141}, type = {Article}, abstract = {
This work reports the synthesis of a mesoporous MoO3/Nb2O5 catalyst by a facile co-precipitation method for the liquid phase nitration of benzene to nitrobenzene, which is a vital industrial reaction. Pristine Nb2O5 and MoO3/Nb2O5 nanocatalysts were characterized using various techniques, including powder XRD, N-2 adsorption-desorption, Raman, SEM/TEM, pyridine FT-IR, and XPS. The MoO3/Nb2O5 catalyst (10 wt\% MoO3 with respect to Nb2O5) showed uniform dispersion of Mo and Nb species, higher amount of oxygen vacancies, and more Br \& oslash;nsted acid sites, resulting in a 90\% yield of nitrobenzene. In contrast, only 35 and 58\% yields were obtained in the case of commercial Nb2O5 and nanosized Nb2O5, respectively. The liquid phase nitration of benzene was carried out using commercial 65\% HNO3 as a nitrating agent without sulfuric acid. The mesoporous MoO3/Nb2O5 catalyst is structurally stable, as confirmed by the characterization of the spent catalyst. However, a gradual decrease in the yield of nitrobenzene was observed, which could be due to the leaching of MoO3 species from the catalyst surface.
}, keywords = {Benzene nitration, Bronsted acid sites, Mesoporous MoO3/Nb2O5 Catalyst, nitrobenzene, Uniform metal dispersion}, issn = {1011-372X}, doi = {10.1007/s10562-025-04981-2}, author = {Kalbande, Pavan Narayan and Swapna, Bhattu and Sudarsanam, Putla and Umbarkar, Shubhangi B.} } @article {49581, title = {Low-cost gelatin/collagen scaffolds for bacterial growth in bioreactors for biotechnology}, journal = {Applied Microbiology and Biotechnology}, volume = {109}, year = {2025}, month = {MAY}, pages = {113}, type = {Article}, abstract = {
A wide array of pharmaceutical and industrial products available in today{\textquoteright}s market stems from bioreactors. Meeting the escalating demand for these products necessitates significant enhancements in biotechnological processes. This study focuses on developing cost-effective scaffolds designed explicitly for use within bioreactors, employing commonly used polymers such as gelatin and collagen. Bacterial proliferation assays involving Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa were conducted to assess the effectiveness of these scaffolds. The scaffolds were produced by electrospinning polymeric solutions with varying concentrations of gelatin and collagen and were characterized using scanning electron microscopy, Fourier transform infrared spectroscopy, differential scanning calorimetry, and thermogravimetric analysis. Results revealed that scaffolds with 15\% gelatin increased the 24-h proliferation of S. aureus, P. aeruginosa, and E. coli by 52\%, 35\%, and 20\%, respectively. In the case of E. coli, scaffolds with lower gelatin concentrations (1-10\%) were more effective, leading to 35-55\% proliferation growth. These findings highlight the potential application of gelatin/collagen scaffolds in fabricating industrial products derived from these bacteria.
}, keywords = {Bacterial cell proliferation, collagen, gelatin, Polymeric electrospinning, scaffolds}, issn = {0175-7598}, doi = {10.1007/s00253-025-13491-5}, author = {Pompa-Monroy, Daniella Alejandra and Vera-Graziano, Ricardo and Dastager, Syed G. and Perez-Gonzalez, Graciela Lizeth and Bogdanchikova, Nina and Iglesias, Ana Leticia and Villarreal-Gomez, Luis Jesus} } @article {49518, title = {Magnesium-ligand cooperation in breaking the O-H and C-H bonds of water and diazoalkane}, journal = {Organometallics}, volume = {44}, year = {2025}, month = {MAR}, pages = {875-881}, type = {Article}, abstract = {
In our previous paper, we reported that the reaction of a tridentate nacnac ligand with a pendant picolyl group, with KHMDS and MgI2, resulted in the formation of a homoleptic hexacoordinate magnesium compound. Here, we show that the analogous reaction of the ligand with CH3MgBr led to a heteroleptic magnesium bromide species (1). Attempts to generate the magnesium hydride species from 1 led to the dearomatization of the pyridine ring, and the resulting product was a magnesium hydroxide (3) presumably generated due to an adventitious amount of water. The reaction of the ligand with nBu2Mg afforded a unique dearomatized magnesium species (2) in high yield. Theoretical calculations reveal the presence of a nonbonding orbital on the magnesium, susceptible to nucleophilic attack. Indeed, the reaction of 2 with H2O/D2O cleaves the O-H/D bond via magnesium-ligand cooperation and generates a magnesium hydroxide (4 and 5). In addition, 2 reacts with Me3SiCHN2 and cleaves the C-H bond to generate another unusual, well-defined magnesium compound with a bridging isocyanide moiety (6) via migration of the SiMe3 group from the carbon to the nitrogen atom. The latter can be described as a dimer of magnesium isocyanamide. DFT calculations were performed to understand the electronic structures of the synthesized molecules.
}, issn = {0276-7333}, doi = {10.1021/acs.organomet.5c00031}, author = {Sharma, Vishal and Dash, Soumya Ranjan and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {49498, title = {Magnetically separable Br{\o}nsted acid catalyst for the synthesis of Bisguaiacol-F}, journal = {New Journal of Chemistry}, volume = {49}, year = {2025}, month = {FEB}, pages = {3273-3284}, type = {Article}, abstract = {
Currently, polycarbonates, epoxy resins, and plastics are commercially made from Bisphenol-A. However, BPA-containing materials are well known for causing major health problems and have been banned in several countries. To address this concern, Bisguaiacol-F (BGF) has been developed as a safer and more sustainable alternative to Bisphenol-A. We created a novel sulfonic acid-functionalized, magnetically separable heterogeneous Br \& oslash;nsted acid catalyst, [Fe3O4@SiO2-(Pr)3-N-Bu-SO3H][HSO4-], which was successfully utilized for the manufacture of BGF by condensing 37\% aq. formaldehyde with two molecules of guaiacol. The main objective for this reaction was to avoid using excess guaiacol while also completing the conversion of both starting components. Surprisingly, our manufactured catalyst promotes the complete conversion of aqueous formaldehyde and guaiacol into regioisomers such as pp {\textquoteleft}-BGF, mp {\textquoteleft}-BGF and op {\textquoteleft}-BGF with 62\%, 15\%, and 6\% selectivity, respectively. Our novel magnetically separable heterogeneous catalyst has improved catalytic activity in terms of starting material conversion and product distribution, which can be attributed to its unique structural characteristics. It contains a pendant -SO3H group that is connected to a lengthy butyl chain, making it conveniently accessible in the reaction. We have created the framework for a promising and environmentally aware approach to the synthesis of Bisguaiacol-F by meticulously optimizing reaction parameters such as time, temperature, reactant molar ratio, and catalyst loading. The catalyst was extensively characterized using acid-base titration, FT-IR, XRD, TGA, and NMR techniques to confirm the structure and reveal remarkable stability and activity. Notably, the catalyst demonstrated recyclability across six consecutive runs, with no noticeable reduction in its effectiveness. The catalytic activity was also tested for guaiacol condensation with a variety of aldehydes to create Bisguaiacol derivatives.
}, issn = {1144-0546}, doi = {10.1039/d4nj04624b}, author = {Tarade, Komal and Rode, Chandrashekhar and Kamble, Sanjay} } @article {49399, title = {Manganese-mediated cascade radical oxidative cyclization/1,6-conjugate addition of unsaturated oximes with p-quinone methides: facile access to β,β-diarylmethine substituted isoxazolines}, journal = {Chemistry-An Asian Journal}, volume = {20}, year = {2025}, month = {JAN}, type = {Article}, abstract = {
A simple and efficient strategy for the synthesis of structurally diverse beta,beta-diarylmethine substituted isoxazoline derivatives have been developed. This approach employs a manganese-promoted oxidative cyclization coupled with a 1,6-conjugate addition of unsaturated oximes to p-quinone methides. The key features of this study include the formation of C-O and C-C bonds through intramolecular and intermolecular interactions, facilitated by in situ generated iminoxyl radicals. beta,beta-diarylmethine substituted isoxazolines, bearing a wide range of functional groups, were isolated in high yields.
}, keywords = {p-Quinone methide, diarylmethine substituted isoxazolines, Iminoxy radical, Manganese catalyzed}, issn = {1861-4728}, doi = {10.1002/asia.202401079}, author = {Vara, Vijay and Thete, Kishor R. and Ghotekar, Ganesh S. and Muthukrishnan, M.} } @article {49530, title = {Material selection for enhanced performance in anion exchange membrane water electrolyzers: a study of membranes and gaskets}, journal = {Industrial \& Engineering Chemistry Research}, volume = {64}, year = {2025}, month = {MAR}, pages = {7211-7219}, type = {Article}, abstract = {
Anion exchange membrane water electrolyzer (AEMWE) is an emerging technology for large-scale hydrogen production, where membrane electrode assembly (MEA) plays a critical role in the electrolyzer efficiency. This study investigates the effects of different membranes (Piperion, Aemion, and Sustainion) and gaskets (Viton, poly(tetrafluoroethylene) (PTFE), and Silicon) using a non-platinum group metal (non-PGM) bifunctional electrocatalyst under fixed compression and flow rates. Membrane properties such as ionic resistance and diffusion and gasket properties like thermal suitability and compressibility significantly affect the overall performance of AEMWE. The results indicate that Sustainion and Aemion membranes are best suited for lab-scale and industrial applications, respectively, while Silicon and PTFE gaskets are optimal for corresponding scales. Understanding these effects can help to improve the efficiency and guide material selection. This study provides valuable insights for researchers developing AEMWE technology, enabling advancements from laboratory research to megawatt-level industrial hydrogen production and supporting the transition to clean-energy solutions.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.4c04336}, author = {Singh, Kailash and Selvaraj, Kaliaperumal} } @article {49534, title = {Metal deficiency tuned charge transfer in intermetallic Ni2-xSn (x =0.37-0.65) enhances selective conversion of furfural to furfuryl alcohol towards the theoretical limit}, journal = {Journal of Materials Chemistry A}, volume = {13}, year = {2025}, month = {FEB}, pages = {6042-6048}, type = {Article}, abstract = {
Heterogeneous catalysis facilitated by intermetallic nanoparticles has recently been the subject of increased scrutiny, given the enhanced selectivity and stability they bestow on many chemical reactions compared to their monometallic components. This paper explores a series of Ni-Sn (Ni2-xSn, where x = 0.65, 0.5, 0.37) intermetallic compounds supported on a high-surface-area support, SBA-15, as catalysts for the selective hydrogenation of furfural to furfuryl alcohol. Rietveld refinements of the X-ray diffraction data show catalysts with mixed intermetallic phases that assist in the catalysis. At the same time, X-ray photoelectron spectroscopy (XPS) studies and X-ray absorption studies indicate the role played by charge transfer from Sn to Ni for the catalysis. Selectivity to the desired furfuryl alcohol in all the intermetallic samples was high (\>97\%), but Ni1.35Sn had a relatively lower conversion than the other intermetallic compounds.
}, issn = {2050-7488}, doi = {10.1039/d4ta06383j}, author = {Cherevotan, Arjun and Singh, Ashutosh Kumar and Yadav, Anish and Maligal-Ganesh, Raghu V. and Raj, Jithu and Pulparambil, Anu and Goud, Devender and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {49618, title = {Methoxyl-containing hyper-crosslinked polymer from largely bio-based biphenyl methyl ether and its application in lithium-sulfur battery}, journal = {Reactive \& Functional Polymers}, volume = {207}, year = {2025}, month = {FEB}, pages = {106139}, type = {Article}, abstract = {
A new biphenyl methyl ether viz 2,2 {\textquoteleft},3,3 {\textquoteleft}-tetramethoxy-5,5 {\textquoteleft}-bis(methoxymethyl)-1,1 {\textquoteleft}-biphenyl (TBMB) was synthesized starting from vanillin via three-step reaction sequence. The self-polycondensation of TBMB by employing two Bronsted acid catalysts, viz, p- toluenesulfonic acid (PTSA) and trifluoromethanesulfonic acid (TFSA) led to the formation of organic hyper-crosslinked polymers (HCPs) containing built-in methoxyl groups. HCPs were characterized by FTIR, solid state 13 C NMR, XPS, XRD, TGA, BET, and FESEM analysis techniques. HCPs synthesized using PTSA (HCP-PTSA) and TFSA (HCP-TFSA) exhibited a Brunauer-Emmett-Teller (BET) surface area of 480 +/- 5 and 590 +/- 4 m2/g, respectively and consisted of hierarchical pore structures with both micropores and mesopores. HCP-TFSA was evaluated as an active coating layer on conventional polypropylene (PP) separator in lithium-sulfur batteries to suppress the polysulfide shuttling on account of the ability of methoxyl groups to anchor soluble polysulfide species via coordination. The significant polysulfide adsorption capacity and improved cycling stability with a capacity of 617.2 mAh g- 1 at 0.5C and 99\% capacity retention highlighted the potential of porous HCP containing built-in methoxyl groups in the development of attractive lithium-sulfur battery systems.
}, keywords = {Active coating layer, bio-based, Biphenyl methyl ether, Hyper-crosslinked polymer, lithium-sulfur battery, Methoxyl groups, Self-polycondensation}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2024.106139}, author = {Wale, Apparav K. and Das, Anoushka K. and Patil, Nita R. and Shelke, V. Manjusha and Ambade, V. Ashootosh and Wadgaonkar, Prakash P.} } @article {49532, title = {MH-PCTpro: a machine learning model for rapid prediction of pressure-composition-temperature (PCT) isotherms}, journal = {Iscience}, volume = {28}, year = {2025}, month = {APR }, pages = {112251}, type = {Article}, abstract = {
We present a machine-learning powered Metal Hydride{\textquoteright}s Pressure-Composition-Temperature isotherm Predictor (MH-PCTpro) for metal compositions. To train the MH-PCTpro, an experimental database of PCT isotherms is built from published literature. The database comprises over 14,000 data points extracted from 237 PCT isotherms representing 138 distinct compositions. The dataset encompasses more than 25 elements and spans a broad spectrum of absorption temperatures (263-653 K) and hydrogen pressures (0.001-40 MPa). The model is validated on a wide range of alloy families and its predictions are consistent with experimental results. The model also captures temperature-dependent variations in plateau pressure, enabling determination of enthalpy and entropy of hydride formation through Van{\textquoteright}t Hoff plots. Hence, MH-PCTpro can be used as an ML tool for guiding PCT experiments, offering PCT isotherm predictions and valuable thermodynamic insights into materials suitable for solid-state hydrogen storage.
}, doi = {10.1016/j.isci.2025.112251}, author = {Verma, Ashwini and Joshi, Kavita} } @article {49619, title = {Mimicking characteristics of cast iron for enhanced electrocatalytic dehydrogenation of methane}, journal = {Fuel}, volume = {381}, year = {2025}, month = {FEB}, pages = {133674}, type = {Article}, abstract = {
Enhancing the efficiency of methane dehydrogenation through chemical modification of electrocatalytic iron surfaces with impurities that resemble cast iron properties is demonstrated computationally using Density Functional Theory methodologies. Investigating methane dehydrogenation on thermally stable Fe surfaces with discrete planes and anchoring impurities such as Al, C, and Si minimized reduction barriers. Electrochemical treatment of methane on these robust surfaces yields clean hydrogen and carbon-based compounds, such as carbon nanomaterials and carbon black. As for the most efficient active sites for enhanced methane dehydrogenation, the active plane 100 with 5.5 \% C impurities and 0.51 eV reduction barrier is determined to be the most dependable, followed by the active plane 110 with 5.5 \% Si impurities and the lower 0.98 eV reduction barrier. Utilizing CI-NEB (Nudged Elastic Band), the dissociation barrier investigation established the electrolytic catalysts{\textquoteright} performance. This work paves the way for experimentalists and demonstrates the economic viability of Fe-based catalysts for the Catalytic Dehydrogenation of Methane.
}, keywords = {carbon black, Density Functional Theory (DFT), Dry methane reforming (DMR), Electrochemical methane dehydrogenation, Fe surface catalyst}, issn = {0016-2361}, doi = {10.1016/j.fuel.2024.133674}, author = {Verma, Tushar Singh and Devi, R. Nandini and Krishnamurty, Sailaja} } @article {49441, title = {Molecular insights into the oleic acid accumulation in safflower}, journal = {Journal of the American Oil Chemists Society}, volume = {102}, year = {2025}, month = {FEB}, pages = {351-363}, type = {Article}, abstract = {
Most of the Indian safflower (Carthamus tinctorius L.) varieties produce oil rich in linoleic acid (LA, similar to 75\%) and low in oleic acid (OA, similar to 15\%). In the fatty acid biosynthetic pathway, the fatty acid desaturase 2 (FAD2) enzyme converts OA to LA. Safflower is reported to have 12-20 FAD2 genes. Gene expression analysis of four FAD2 genes during seed development in a high LA variety, PBNS-12, revealed high expression of FAD2-1 at 21 days after flowering (DAF), correlating with high LA accumulation. Fatty acid profiling of 448 Indian safflower germplasm accessions revealed four lines to have high (58\%-77\%) OA content, with NASF-39 having the highest OA content. Interestingly, all four high OA lines showed the same mutation in the FAD2-1 gene. The DNA sequence of FAD2-1 from the four high OA lines showed a deletion of C at the +606 position, resulting in a premature stop codon at the +733 position and a truncated protein of 244 amino acids. Hence, despite the high expression levels of FAD2-1 in NASF-39 at 18-21 DAF, it exhibited high OA (77\%). The dysfunctional nature of the truncated FAD2-1 in NASF-39 was evident in molecular docking studies with 1-stearoyl-2-oleoyl phosphatidylcholine. We also sequenced FATB, a thioesterase responsible for releasing stearic acid from acyl carrier protein for further desaturation to oleic acid, where an A773G substitution was observed. This resulted in E258G substitution in NASF-39 FATB compared to that of PBNS-12. This probably made the acyl-binding pocket of NASF-39 FATB unstable, contributing to high OA accumulation. Thus, the outcomes of this study can help develop super and ultra-high oleic safflower varieties through various genetics and genomics approaches.
}, keywords = {Carthamus tinctorius, FAD2, FATB, Fatty acid desaturase, fatty acid thioesterase, linoleic acid}, issn = {0003-021X}, doi = {10.1002/aocs.12892}, author = {Salunke, Gayatri and Badhe, Yogesh and Singh, Vrijendra and Ghorpade, Prakash and Hegde, Mahabaleshwar and Kadoo, Narendra} } @article {49414, title = {Molecular interactions of the pioneer transcription factor GATA3 With DNA}, journal = {Proteins-Structure Function and Bioinformatics}, volume = {93}, year = {2025}, month = {FEB}, pages = {555-566}, type = {Article}, abstract = {
The GATA3 transcription factor is a pioneer transcription factor that is critical in the development, proliferation, and maintenance of several immune cell types. Identifying the detailed conformational dynamics and interactions of this transcription factor, as well as its clinically important population variants will allow us to unravel its mode of action. In this study, we analyze the molecular interactions of the GATA3 transcription factor bound to dsDNA as well as three clinically important population variants by atomistic molecular dynamics simulations. We identify the effect of the variants on the DNA conformational dynamics and delineate the differences compared to the wildtype transcription factor that could be related to impaired function. We highlight the structural plasticity in the binding of the GATA3 transcription factor and identify important DNA-protein contacts. Although the DNA-protein contacts are persistent and appear to be stable, they exhibit nanosecond timescale fluctuations and several binding/unbinding events. Further, we identify differential DNA binding in the three variants and show that the N-terminal binding is reduced in two of the variants. Our results indicate that reduced minor groove width and DNA diameter are important hallmarks for the binding of GATA3. Our work is an important step towards understanding the functional dynamics of the GATA3 protein and its clinically significant population variants.
}, keywords = {DNA-protein interactions, GATA protein, Molecular dynamics simulations, molecular mechanism, population variants, transcription factor}, issn = {0887-3585}, doi = {10.1002/prot.26749}, author = {Gharui, Sowmomita and Sengupta, Durba} } @article {49559, title = {Molecular modeling of non-canonical intramolecular RNA triple helix structures predicted from TRIPinRNA and their in vitro biophysical structure validation}, journal = {Journal of Physical Chemistry B}, volume = {129}, year = {2025}, month = {APR}, pages = {4298-4308}, type = {Article}, abstract = {
RNA triple helices have traditionally been characterized by pyrimidine-type UA-U or CG-C triplets, with other base triplets considered to be destabilizing. However, the presence of non-canonical triplets in riboswitches and self-splicing introns suggests that triplexes containing longer stretches of such triplets may exist in the human genome too. Using molecular modeling, we investigated a chimeric triple helix derived from the FLRT2-AS1 lncRNA, confirming its stability over a 500 ns simulation. Biophysical analyses further support the formation of this triplex in vitro. Although these non-canonical structures exhibit less thermal stability compared to traditional UA-U triplets found in lncRNAs like metastasis associated lung adenocarcinoma transcript 1 and NEAT1, they may serve distinct biological functions, suggesting a dynamic and more temporal role in cellular processes. The triplex selected for this study is found in a human long non-coding RNA gene, paving the way for investigating the intriguing roles of these triple helices in cell biology.
}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5c00160}, author = {Rakheja, Isha and Panda, Gayatri and Maiti, Souvik and Ray, Arjun} } @article {49583, title = {Monitoring influenza A (H1N1, H3N2), RSV, and SARS-CoV-2 using wastewater-based epidemiology: A 2-year longitudinal study in an Indian megacity covering omicron and post-omicron phases}, journal = {Food and Environmental Virology}, volume = {17}, year = {2025}, month = {MAR}, pages = {3}, type = {Article}, abstract = {
{The bourgeoning field of wastewater-based epidemiology (WBE) for the surveillance of several respiratory viruses which includes Influenza A, H1N1pdm09, H3N2, respiratory syncytial viruses (RSV), and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is of interest for public health concerns. However, there are few long-term monitoring studies globally. In this study, respiratory viruses were detected and quantified from 11 sewer sheds by utilizing reverse transcription-quantitative polymerase chain reaction analysis in Pune city, India, from Jan 2022 to Dec 2023. The RNA fragments of respiratory viruses were detected in sewage samples before clinical cases were reported, underscoring the potential of WBE for early detection and monitoring within the population. The Spearman correlation of wastewater viral copies was positively and significantly correlated with the clinically positive case of H1N1pdm09 (rho = 0.55
}, keywords = {Influenza A, Quantitative reverse transcription-PCR, Respiratory viruses, SARS-CoV-2, Wastewater-based epidemiology}, issn = {1867-0334}, doi = {10.1007/s12560-024-09618-y}, author = {Pramanik, Rinka and Nannaware, Kiran and Malik, Vinita and Shah, Priyanki and Sangewar, Poornima and Gogate, Niharika and Shashidhara, L. S. and Boargaonkar, Radhika and Patil, Dhawal and Kale, Saurabh and Bhalerao, Asim and Jain, Nidhi and Kamble, Sanjay and Dastager, Syed and Dharne, Mahesh} } @article {49620, title = {Multifunctional luminogens with synergy of aggregation-induced delayed fluorescence, two-photon absorption and photocurrent generation}, journal = {Chemical Communications}, volume = {61}, year = {2025}, month = {JAN}, pages = {1447-1450}, type = {Article}, abstract = {
In this study, we investigated the aggregation-induced delayed fluorescence (AIDF) properties of three luminogens - TN, TA, and TP. Our comprehensive theoretical analysis reveals a significant reduction in the Delta EST in their aggregated or solid-state, activating TADF, on a similar to mu s time-scale. Additionally, these luminogens demonstrate two-photon excited anti-Stokes photoluminescence emission and improved photocurrent generation, attributed to their strong charge transfer characteristics and longer singlet exciton lifetimes.
}, issn = {1359-7345}, doi = {10.1039/d4cc05113k}, author = {Chatterjee, Abhijit and Narayanan, Sundaravalli and Thorat, Sachin and Malik, Ajay J. and Ambhore, Madan D. and Narayanan, Aswini and Sihag, Anil Kumar and Babu, Sukumaran Santhosh and Lahiri, Mayurika and Hazra, Partha} } @article {49621, title = {Multifunctional NiO/Ti3+-TiO2 for concurrent water reduction and glycerol oxidation to value added products by sunlight driven photocatalysis}, journal = {Journal of Materials Chemistry A}, volume = {13}, year = {2025}, month = {JAN}, pages = {2105-2120}, type = {Article}, abstract = {
The present work describes the synthesis of bifunctional-mesoporous-self-doped Ti3+ containing NiO/TiO2 photocatalysts for concurrent utilization of e- and h+ to produce H2 and value-added products (VAPs), respectively, from aqueous glycerol. UV-vis diffuse reflectance results and band gap analysis revealed an improved light absorption due to integration of Ni2+ with Ti3+/TiO2. Various electrochemical, PL and TRPL spectral analyses demonstrate p-n heterojunction formation between NiO and Ti3+-TiO2, which enhances charge separation and helps in achieving improved activity. HRTEM analysis of NiO/Ti3+-TiO2 nanocomposites revealed that NiO is highly dispersed on TiO2 with interfacial heterojunctions between them. XPS results demonstrate the partial reduction of Ti4+ to Ti3+ and Ni-Ti synergetic interaction in NiO/TiO2 to form NiO/Ti3+-TiO2 nanocomposites. EXAFS studies show that the Ni-O bond distance is similar to that of NiTiO3 suggesting electronic integration of components of the photocatalyst by forming a Ni2+-O-Ti3+/Ti4+ lattice network. Ni2+/Ti3+-TiO2 nanocomposites as a bifunctional photocatalyst exhibited significantly enhanced activity in H2 production and conversion of glycerol to VAPs, namely, glycolaldehyde, 1,3-dihydroxyacetone, and formic acid; formation of these products highlights not only oxidation, but also C-C cleavage of glycerol. The NiO/Ti3+-TiO2 photocatalysts fabricated in thin film form displayed higher photocatalytic efficiency than their powder counterpart. Among NiO/Ti3+-TiO2 nanocomposites NiT-3 exhibits the highest H2 yield at 15.62 mmol h-1 g-1, which is 38 times higher than that of bare TiO2. The enhanced photocatalytic activity is ascribed to the high charge carrier density, the synergistic interaction between Ni2+ and Ti3+-TiO2, formation of a p-n heterojunction at the interface between NiO and Ti3+-TiO2 and effective utilization of charge carriers for redox reactions.
}, issn = {2050-7488}, doi = {10.1039/d4ta06910b}, author = {Rajendran, Sivaraj and Saju, Simi and Mani, Sunesh S. and Asoka, Anantha Krishnan and Saha, Arindam and Arun, Pushkaran S. and Ghosh, Biplab and Mathew, Thomas and Gopinath, Chinnakonda S.} } @article {49446, title = {Multifunctional NiO/Ti3+{\textendash}TiO2 for concurrent water reduction and glycerol oxidation to value added products by sunlight driven photocatalysis}, journal = {Journal of Materials Chemistry A}, volume = {13}, year = {2025}, month = {JAN}, pages = {2105-2120}, type = {Article}, abstract = {
The present work describes the synthesis of bifunctional-mesoporous-self-doped Ti3+\ containing NiO/TiO2\ photocatalysts for concurrent utilization of e-\ and h+\ to produce H2\ and value-added products (VAPs), respectively, from aqueous glycerol. UV-vis diffuse reflectance results and band gap analysis revealed an improved light absorption due to integration of Ni2+\ with Ti3+/TiO2. Various electrochemical, PL and TRPL spectral analyses demonstrate p{\textendash}n heterojunction formation between NiO and Ti3+{\textendash}TiO2, which enhances charge separation and helps in achieving improved activity. HRTEM analysis of NiO/Ti3+{\textendash}TiO2\ nanocomposites revealed that NiO is highly dispersed on TiO2\ with interfacial heterojunctions between them. XPS results demonstrate the partial reduction of Ti4+\ to Ti3+\ and Ni{\textendash}Ti synergetic interaction in NiO/TiO2\ to form NiO/Ti3+{\textendash}TiO2\ nanocomposites. EXAFS studies show that the Ni{\textendash}O bond distance is similar to that of NiTiO3\ suggesting electronic integration of components of the photocatalyst by forming a Ni2+{\textendash}O{\textendash}Ti3+/Ti4+\ lattice network. Ni2+/Ti3+{\textendash}TiO2\ nanocomposites as a bifunctional photocatalyst exhibited significantly enhanced activity in H2\ production and conversion of glycerol to VAPs, namely, glycolaldehyde, 1,3-dihydroxyacetone, and formic acid; formation of these products highlights not only oxidation, but also C{\textendash}C cleavage of glycerol. The NiO/Ti3+{\textendash}TiO2\ photocatalysts fabricated in thin film form displayed higher photocatalytic efficiency than their powder counterpart. Among NiO/Ti3+{\textendash}TiO2\ nanocomposites NiT-3 exhibits the highest H2\ yield at 15.62 mmol h-1\ g-1, which is 38 times higher than that of bare TiO2. The enhanced photocatalytic activity is ascribed to the high charge carrier density, the synergistic interaction between Ni2+\ and Ti3+{\textendash}TiO2, formation of a p{\textendash}n heterojunction at the interface between NiO and Ti3+{\textendash}TiO2\ and effective utilization of charge carriers for redox reactions.
}, doi = {https://doi.org/10.1039/D4TA06910B}, author = {Rajendran, Sivaraj and Saju, Simi and Mani, Sunesh S. and Asoka, Anantha Krishnan and Saha, Arindam and Arun, Pushkaran S. and Ghosh, Biplab and Mathew, Thomas and Gopinath, Chinnakonda S.} } @article {49554, title = {Multiphasic heterojunctions: a strategic approach to enhance the charge transfer dynamics of titania for superior solar photocatalytic hydrogen production}, journal = {International Journal of Hydrogen Energy}, volume = {113}, year = {2025}, month = {MAR}, pages = {133-146}, type = {Article}, abstract = {
Multiphasic titania has been prepared to study the role of multiple heterojunctions on the charge transfer dynamics and resultant photocatalytic hydrogen production. Through an acid regulated hydrothermal method, four materials with following phase compositions were prepared viz. single phase anatase and rutile, biphasic anatase-rutile and triphasic anatase-brookite-rutile. The phase compositions of the materials were confirmed through XRD and HRTEM studies. The biphasic and triphasic materials were found to be highly nanoparticulate in nature while forming numerous and diverse heterojunctions. In the triphasic material, various binary and ternary heterojunctions were observed. These heterojunctions performed in harmony to ensure efficient charge transport as shown by the low charge transfer resistance and high electron lifetime. This subsequently ensured a high reduction capability and photocurrent response. This all culminated into the triphasic material outperforming all other materials in solar photocatalytic hydrogen production. The H2 yield from the triphasic material was 81\% and 40\% higher than the pristine anatase and the biphasic material respectively. Additionally, by using the triphasic material in thin film form, a 4-fold increase in the hydrogen yield with a high apparent quantum efficiency of 8.2 \% was achieved over the particulate form. The superior charge transport and photocurrent response due to the greater varied heterojunction formation in the anatase-rutile-brookite material as opposed to that in the biphasic material led to this superior performance. Thus, multiple heterojunctions, in this case, a triphasic heterojunction of anatase, rutile and brookite phases opens up a new avenue of research for efficient green hydrogen production.
}, keywords = {Green hydrogen production, heterojunction, Photocatalysis, Photoelectrochemical analysis, thin film, titania}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2025.02.395}, author = {Ningthoukhongjam, Pujita and Gopinath, Chinnakonda S. and Nair, Ranjith G.} } @article {49508, title = {MYB proteins: Versatile regulators of plant development, stress responses, and secondary metabolite biosynthetic pathways}, journal = {International Journal of Biological Macromolecules}, volume = {288}, year = {2025}, month = {FEB}, pages = {138588}, type = {Review}, abstract = {
MYB proteins are ubiquitous in nature, regulating key aspects of plant growth and development. Although MYB proteins are known for regulating genes involved in secondary metabolite biosynthesis, particularly phenylpropanoids, their roles in terpenoid, glucosinolate, and alkaloid biosynthesis remain less understood. This review explores the structural and functional differences between activator and repressor MYB proteins along with their roles in plant growth, development, stress responses, and secondary metabolite production. MYB proteins serve as central hubs in protein-protein interaction networks that regulate expression of numerous genes involved in the adaptation of plants to varying environmental conditions. Thus, we also highlight key interacting partners of MYB proteins and their roles in these adaptation mechanisms. We further discuss the mechanisms regulating MYB proteins, including autoregulation, epigenetics, and post-transcriptional and post-translational modifications. Overall, we propose MYB proteins as versatile regulators for improving plant traits, stress responses, and secondary metabolite production.
}, keywords = {Activator, defense, Development, MYB protein, Repressor, Secondary metabolites}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2024.138588}, author = {Bhatt, Preshita A. and Gurav, Tanuja P. and Kondhare, Kirtikumar R. and Giri, Ashok P.} } @article {49580, title = {Nanocellulose-doped superabsorbent polymer for improved absorption properties in sanitary pad applications}, journal = {International Journal of Biological Macromolecules}, volume = {307}, year = {2025}, month = {MAY}, pages = {141953}, type = {Article}, abstract = {
An important disposable hygienic absorbent is the female sanitary napkin wherein superabsorbent polymers (SAP) are incorporated into it to increase the absorption capacity. Nevertheless, it has been discovered that SAPs have negative consequences on the environment and the user{\textquoteright}s health. The present study explores doping nanocellulose, into an acrylic acid-based SAP matrix to enhance absorption performance, leveraging nanocellulose{\textquoteright}s high surface area and hydrophilicity. Different SAP-nanocellulose compositions were tested, and characterizations like Thermogravimetric Analysis (TGA), Fourier Transform Infrared (FT-IR), Scanning Electron Microscopy (SEM), and X-ray Diffraction (XRD) confirmed the successful incorporation of nanocellulose into the SAP structure. Performance tests showed enhanced absorption properties in SAPs doped with nanocellulose compared to unmodified SAPs. The 70-30 composition significantly outperformed unmodified SAP (100-0). Free absorbency was highest for unmodified SAP, while 70-30 almost equaled in equilibrium absorbency in distilled water, but excelled in saline, simulated, and animal blood. Schott{\textquoteright}s pseudo-second-order model and Fickian diffusion were used to identify the kinetic swelling of SAP. For absorption under load, 70-30 attained 28.7 g/g in saline, a 28.91 \% increase over unmodified SAP. In CRC, 70-30 exceeded unmodified SAP by 37 \% in saline and 53 \% in simulated blood demonstrating enhanced stability and absorbency.
}, keywords = {Absorption properties, Animal blood, Doping, Nanocellulose, Sanitary pads, Superabsorbent polymer}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.141953}, author = {Mandava, Srimukhi and Nagar, Harsha and Kumar, D. B. Rohini and Aniya, Vineet} } @article {49428, title = {Nano-springe enriched hierarchical porous MOP/COF hybrid aerogel: efficient recovery of gold from electronic waste}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {FEB}, type = {Article}, abstract = {
Extraction of gold from secondary resources such as electronic waste (e-waste) has become crucial in recent times to compensate for the gradual scarcity of the noble metal in natural mines. However, designing and synthesizing a suitable material for highly efficient gold recovery is still a great challenge. Herein, we have strategically designed rapid fabrication of an ionic crystalline hybrid aerogel by covalent threading of an amino-functionalized metal-organic polyhedra with an imine-linked chemically stable covalent organic framework at ambient condition. The hierarchically porous ultra-light aerogel featuring imine-rich backbone, high surface area, and cationic sites have shown fast removal, high uptake capacity (2349 mg/g), and excellent selectivity towards gold sequestration. Besides, the aerogel can extract ultra-trace gold-ions from different terrestrial water bodies, aiming towards safe drinking water. This study demonstrates the great potential of the composite materials based on a novel approach to designing a hybrid porous material for efficient gold recovery from complex water matrices.
}, keywords = {Aerogel, COF, E-waste, Gold, MOP}, issn = {1433-7851}, doi = {10.1002/anie.202419830}, author = {Majumder, Dipanjan and Fajal, Sahel and Shirolkar, Mandar M. and Torris, Arun and Banyla, Yashasvi and Biswas, Kishalay and Rasaily, Sagarmani and Ghosh, Sujit K.} } @article {49588, title = {Navigating the challenges of engineering composite specialized metabolite pathways in plants}, journal = {Plant Journal}, volume = {121}, year = {2025}, month = {MAR}, pages = {e70100}, type = {Review}, abstract = {
Plants are a valuable source of diverse specialized metabolites with numerous applications. However, these compounds are often produced in limited quantities, particularly under unfavorable ecological conditions. To achieve sufficient levels of target metabolites, alternative strategies such as pathway engineering in heterologous systems like microbes (e.g., bacteria and fungi) or cell-free systems can be employed. Another approach is plant engineering, which aims to either enhance the native production in the original plant or reconstruct the target pathway in a model plant system. Although increasing metabolite production in the native plant is a promising strategy, these source plants are often exotic and pose significant challenges for genetic manipulation. Effective pathway engineering requires comprehensive prior knowledge of the genes and enzymes involved, as well as the precursor, intermediate, branching, and final metabolites. Thus, a thorough elucidation of the biosynthetic pathway is closely linked to successful metabolic engineering in host or model systems. In this review, we highlight recent advances in strategies for biosynthetic pathway elucidation and metabolic engineering. We focus on efforts to engineer complex, multi-step pathways that require the expression of at least eight genes for transient and three genes for stable transformation. Reports on the engineering of complex pathways in stably transformed plants remain relatively scarce. We discuss the major hurdles in pathway elucidation and strategies for overcoming them, followed by an overview of achievements, challenges, and solutions in pathway reconstitution through metabolic engineering. Recent advances including computer-based predictions offer valuable platforms for the sustainable production of specialized metabolites in plants.
}, keywords = {Biosynthetic pathway, Enzyme activity, Gene expression, Metabolic engineering, Metabolites}, issn = {0960-7412}, doi = {10.1111/tpj.70100}, author = {Gharat, Sachin A. and Tamhane, Vaijayanti A. and Giri, Ashok P. and Aharoni, Asaph} } @article {49598, title = {NiFeMo layered triple hydroxide and MXene heterostructure for boosted oxygen evolution reaction in anion exchange membrane water electrolysis}, journal = {Nanoscale}, volume = {17}, year = {2025}, month = {MAY}, pages = {12094-12107}, type = {Article}, abstract = {
Efficient, low cost and stable electrocatalysts are highly desirable for overcoming the sluggish kinetics of the oxygen evolution reaction (OER) in alkaline water electrolysis for hydrogen production. Interfacial engineering of heterostructures is quite beneficial for improving charge transfer efficiency at the interface. In this context, heterostructures of layered triple hydroxides (LTHs) and MXenes have shown great potential as OER electrocatalysts owing to their 2D-2D structure and unique physiochemical properties. Coupling LTHs with MXenes can potentially enhance their conductivity and stability, thereby boosting OER activity. In this study, we report a heterointerface between NiFeMo-LTH on Ti3C2Tx MXene, which exhibited superior catalytic activity and stability in alkaline freshwater and seawater, reducing the activation energy. Importantly, the heterostructure achieved a current density of 100 mA cm-2 at the cost of 292 mV and 340 mV overpotentials in alkaline saline water and real seawater, respectively, and showed robustness over 100 h without hypochlorite formation in alkaline real seawater, exhibiting corrosion-resistant behaviour. Moreover, NiFeMo-LTH/MXene explored in alkaline anion exchange membrane water electrolyzer (AEMWE) achieved a current density of 750 mA cm-2 at 2.16 V cell voltage at an operating temperature of 60 degrees C with an energy efficiency of 60.5\%. Raman analysis and XPS analysis post stability test demonstrated easy electron transfer from LTH to MXene at the heterointerface, leading to the formation of NiOOH electroactive species that facilitated the OER activity.
}, issn = {2040-3364}, doi = {10.1039/d5nr00419e}, author = {Pal, Santanu and Chaturvedi, Ekta and Das, Chandni and Sinha, Nibedita and Ahmed, Tanbir and Roy, Poulomi} } @article {49511, title = {Novel bifunctional inhibitor of protease and α-amylase from Clitorea ternatea restricts the growth and development in Spodoptera frugiperda}, journal = {International Journal of Biological Macromolecules}, volume = {305}, year = {2025}, month = {MAY}, pages = {141180}, type = {Article}, abstract = {
An inhibitor molecule capable of inhibiting a wide range of digestive enzymes without affecting endogenous enzymes is always desirable. We report characterization of CteTAI (M.W. 14 kDa), a bifunctional inhibitor (BFI) protein from the seeds of Clitoria ternatea capable of inhibiting trypsin and alpha-amylase. It retains trypsin inhibition activity up to 60 degrees C and alpha-amylase inhibition up to 40 degrees C. Trypsin inhibition is stable across pH 1-12, while alpha-amylase inhibition is stable between pH 3-7. CteTAI is a noncompetitive inhibitor of trypsin and an uncompetitive inhibitor of alpha-amylase. It selectively inhibits proteases and alpha-amylases from various sources, without affecting alpha-amylase from human saliva and Bacillus spp. Proteomic analysis identified CteTAI as a bifunctional inhibitor exhibiting 41 \% similarity to a bifunctional inhibitor from Sesbania bispinosa. Feeding Spodoptera frugiperda larvae with CteTAI-infused diet impaired energy metabolism, resulting in undernourished larvae and malformed adults incapable of flight and mating. Key nutritional indices (RGR, RCR, \%ECI, \%FDI) were severely reduced, indicating that CteTAI disrupts growth and development by inhibiting multiple protease and alpha-amylase isoforms. Biochemical characterization of newly identified CteTAI suggests its potential application in crop protection.
}, keywords = {alpha-Amylase inhibitors, Bifunctional inhibitor, Clitoria ternatea, Protease inhibitors, Spodoptera frugiperda}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.141180}, author = {Dongare, Pratiksha M. and Madage, Varsha A. and Deshpande, V. Neha and Joshi, Rakesh S. and Giri, Ashok P. and Pawar, Pankaj K.} } @article {49591, title = {Novel extruded palm tree wood-derived activated carbon-based SrTiO3 for wastewater treatment in continuous system: evaluation of synthesis condition, LHSV, and pH}, journal = {Inorganic Chemistry Communications}, volume = {173}, year = {2025}, month = {MAR}, pages = {113898}, type = {Article}, abstract = {
SrTiO3 is a potential photocatalyst, while its wide band gap hinders sufficient adsorption of visible light and decreases the photocatalytic efficiency. Herein, activated carbon (AC) derived from palm tree wood was functionalized with varying weight percentages (10, 20, and 30 wt\%) of SrTiO3 nanoparticles and evaluated for its efficiency in the photodegradation of Cefixime (CFX) in a continuous system. The effects of activation temperature on the morphological properties of AC, along with operational parameters such as Liquid Hourly Space Velocity (LHSV) (3, 4, and 5 h- 1) and the pH of the initial CFX solution (4, 6.5, and 9), were examined to optimize the photocatalytic performance. The photocatalyst activated at 900 degrees C with 30 wt\% SrTiO3 exhibited the highest activity, and were characterized by XRD, BET, FE-SEM, and UV-Vis analyses. Optimal conditions for CFX degradation were found at pH of 6.5 and LHSV of 5 h- 1. Additionally, hydroxyl (center dot OH) and superoxide (center dot O2-) radicals were identified as key species in CFX photodegradation process. Hence, these findings contribute to the design and development of highly-active continuous photocatalytic system.
}, keywords = {antibiotic, Continuous Photocatalytic Degradation, environmental remediation, Risk Management, Wastewater treatment}, issn = {1387-7003}, doi = {10.1016/j.inoche.2025.113898}, author = {Ghandour, Raymond and Ali, Ali B. M. and Kadhum, Abdul Amir H. and Diab, M. A. and El-Sabban, Heba A. and Shah, Mumtaj and Nagar, Harsha} } @article {49549, title = {Optimization and mechanistic insights of zinc ascorbate catalyst for ring-opening polymerization of caprolactone using RSM methodology and DFT calculations}, journal = {Polymers for Advanced Technologies}, volume = {36}, year = {2025}, month = {APR}, pages = {e70182}, type = {Article}, abstract = {
Polycaprolactone (PCL) is an aliphatic polyester recognized for its exceptional versatility and biodegradability, which has garnered significant attention for a wide range of applications. This study presents an innovative methodology for the synthesis of PCL through the ring-opening polymerization (ROP) of epsilon-caprolactone (CL). The approach employs a biocompatible and environmentally benign organometallic zinc ascorbate complex as a catalyst. Derived from ascorbic acid, a well-established reducing agent, zinc ascorbate serves as a sustainable alternative to conventional tin-based catalysts, thereby mitigating environmental impact and enhancing safety measures. The catalyst operates effectively under solvent-free conditions and does not require initiators, achieving a high polymer conversion rate of approximately 79\%. The optimization of the reaction parameters was conducted using response surface methodology (RSM) employing a central composite design (CCD). The structural and chemical characterization of the catalyst as well as the resulting polymers was performed using proton nuclear magnetic resonance (1H NMR), Fourier-transform infrared spectroscopy (FTIR), and x-ray diffraction (XRD) analyses. Additionally, density functional theory (DFT) calculations elucidated a four-step coordination-insertion mechanism for the polymerization of cyclic lactones, with findings supported by Gibbs free energy, electrostatic potential, and non-covalent interactions. This study underscores the potential of zinc ascorbate as a reliable, nontoxic, and cost-effective catalyst, fulfilling the increasing demand for sustainable and efficient polymerization processes in commercial and biomedical applications.
}, keywords = {density function theory, Polycaprolactone, Response surface methodology, ring-opening polymerization, zinc ascorbate}, issn = {1042-7147}, doi = {10.1002/pat.70182}, author = {Naik, Sonali S. and Vedpathak, Shantanu and Nair, Kiran Sukumaran} } @article {49529, title = {Optimizing H2/CO2 binary gas mixture separation using Li-K-ETS-10 zeolite: Breakthrough analysis and impact of operational conditions}, journal = {International Journal of Hydrogen Energy}, volume = {105}, year = {2025}, month = {MAR}, pages = {673-683}, type = {Article}, abstract = {
The polycation-exchanged ETS-10 (Li-K-ETS-10) zeolite was employed as a sorbent in breakthrough experiments using a binary H2/CO2 (75/25\%) gas mixture. The data compared with parent adsorbent (NaK)-ETS-10, and mono cation exchange of ETS-10 (K-ETS-10 and Li-ETS-10). Adsorbents underwent for various characterization including XRD, Raman, FTIR, EDS, CO2-TPD, BET surface area, and pore diameter of samples to understand the physicochemical properties. CO2-TPD shows that Li-K-ETS-10 has higher basicity than parent (NaK)-ETS-10. The process parameters were optimized to ensure a higher CO2 sorption capacity and better H2 purity including effects of flow rate, pressure, temperature, feed concentration, bed height, and recyclability. The adsorption capacities of CO2 and H2 were found to be 1.57 mmol g- 1 and 0.24 mmol g-1, respectively, at 1 bar and a flow rate of 200 mL min- 1. These values represent a 40\% improvement over (NaK)-ETS-10 and a-10.4\% improvement over Li-ETS-10. At 6 bar, the CO2 and H2 adsorption capacities reached 2.79 mmol g- 1 and 0.22 mmol g-1, respectively. The higher CO2 sorption over Li-K-ETS-10 leads due to improve in basic sites and physical properties of sample compare to studied adsorbent. The experimental data of binary gas mixture was used to evaluate the kinetic models including Thomas, and Yoon-Nelson. This results implies that Li-K-ETS-10 is the promising candidates for H2 separation from binary gas mixture.
}, keywords = {adsorbent, Binary gas stream, Breakthrough study, H2/CO2 separation, Kinetic modelling, Li-K-ETS-10}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2025.01.324}, author = {Shrotri, Aadesh R. and Nandanwar, Sachin U.} } @article {49533, title = {Organophotoredox-catalyzed decarboxylative C-O/N/S bond formation: access to ampakine APIs and quinazolinone alkaloids}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {APR}, pages = {3871-3876}, type = {Article}, abstract = {
This study describes a novel and general protocol featuring organophotoredox-catalyzed intramolecular decarboxylative construction of carbon-heteroatom (oxygen, nitrogen, and sulfur) bonds, enabling direct access to ampakine APIs (CX-614 and CX-554), quinazolinone alkaloids (deoxyvasicinone and mackinazolinone), and thiazinone scaffolds as well as their congeners with broad functional group tolerance and scalability. Mechanistic studies suggest a radical-polar crossover pathway via single-electron oxidation.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c00565}, author = {Sonavane, Sameer R. and Kale, Tushar B. and Bhatt, Gaurang J. and Mhaske, Santosh B.} } @article {49459, title = {Oxidase-like nanozyme activity of ultrathin copper metal{\textendash}organic framework nanosheets with high specificity for catechol oxidation}, journal = {ChemCatChem}, volume = {17}, year = {2025}, month = {JAN}, type = {Article}, abstract = {
In nature, catechol oxidase catalyzes the oxidation of\ o-diphenol to\ o-quinone to produce a series of highly important polyphenolic natural products. Although mimicking the functionality of natural enzyme using a nanozyme was found to be beneficial, attaining a high specificity is challenging. Herein, we have explored the thickness-dependent oxidase activity and specificity of Cu-metal-organic framework (MOF) nanosheets. The unique synthetic method offers control over the thickness of the Cu-MOF nanosheets. The ultrathin (4\ nm) Cu-MOF (Cu-UMOF) nanosheets as an oxidase nanozyme exhibit high specificity for catechol oxidation without having any peroxidase activity. Interestingly, the thicker (20{\textendash}30\ nm) Cu-MOF nanosheets showed poor catechol oxidase and peroxidase activity. The binuclear Cu-center, coordinative, and electronic unsaturation tuned electronic structure in Cu-UMOF, resulting in higher specificity for catechol oxidation than thicker Cu-MOF.
}, doi = {https://doi.org/10.1002/cctc.202401029}, author = {Singh, Ajit Kumar and Sharma, Deepika and Singh, Devesh Kumar and Sarraf, Sonu and Basu, Aviru Kumar and Ganesan, Vellaichamy and Saha, Avishek} } @article {49602, title = {Pair of dinuclear Fe(II) enantiomers: syntheses and structures of ΛΔ/ΔΛ-Bis(Dihydridoborate) complexes}, journal = {CHEMISTRY-A EUROPEAN JOURNAL}, volume = {31}, year = {2025}, month = {FEB }, type = {Article}, abstract = {
In our effort to establish a direct synthetic approach for bis(dihydridoborate) complexes of first-row transition metals, we have investigated the reactivity of [Cp*Fe(dppe)Cl] (dppe =1,2-bis(diphenylphosphino)ethane) with Na[BH3L] (L =2-mercaptopyridine (mp) and 2-mercaptobenzothiazole (mbz)) that led to the formation of iron(II) dihydridoborate complexes, [Cp*Fe{kappa 3-S,H,H-(H2BH(L))}] 1 a-b (L=mp (1 a) and L=mbz (1 b)). Further, in an attempt to isolate the bis(dihydridoborate) complex of iron by the insertion of borane into the kappa 2-N,S-chelated iron complex, [(dppe)Fe{kappa 2-N,S-(mp)}2] (2), we have isolated and structurally characterized a rare example of dimeric iron bis(dihydridoborate) complex, [Fe{kappa 3-S,H,H-(H2BH(mp))}2]2, Lambda Delta/Delta Lambda-3 as pair of enantiomers. Interestingly, these enantiomers Lambda Delta/Delta Lambda-3 have two trans-[Fe{kappa 3-S,H,H-(H2BH(mp))}2] moieties bridged through sulfur atoms of 2-mercaptopyridinyl ligands, where the iron centres are hepta-coordinated. The natural bond-orbital (NBO) analyses of Lambda Delta-3 and Delta Lambda-3 show considerable electron donation from the filled sigma B-H bonding orbital to vacant dz2 \${{d}_{{z}\<\^\>{2}}}\$ orbital of iron with a substantial contribution from the hydrogen atoms. The localized orbital bonding analysis (LOBA) method suggests that all the iron centres are in +2 oxidation state.
}, keywords = {B-H activation, Bis(dihydridoborate), Enantiomer, Heptacoordinate, iron}, issn = {0947-6539}, doi = {10.1002/chem.202404469}, author = {Kaur, Urminder and Gayen, Sourav and Sharma, Himanshu and Vanka, Kumar and Ghosh, Sundargopal} } @article {49411, title = {Palladium-catalyzed regioselective C(4)-H fluoroalkoxylation of indoles through weak chelation assistance}, journal = {ChemCatChem}, volume = {17}, year = {2025}, month = {JAN}, type = {Article}, abstract = {
Installing fluoroalkyl motifs into biorelevant indoles is particularly interesting due to their ubiquitous presence in drug molecules. Herein, we demonstrate the regioselective C4 fluoroalkoxylation of indoles using fluoroalcohols via palladium-catalyzed chelation-assisted C \& horbar;H activation. The weak chelating benzoyl moiety at the C3 position acts as a directing group for remote C(4)\& horbar;H fluoroalkoxylation of diversely substituted indoles. This methodology demonstrates a high level of regioselectivity and tolerates a range of crucial functional groups, yielding diverse trifluoroalkoxylated indoles in moderate to good yields. Removal of directing/protecting groups and further functionalization established the synthetic utility of the methodology. A preliminary mechanistic investigation is conducted by isolating the palladacycle intermediate and performing the deuterium scrambling study. The regioselective C4 fluoroalkoxylation of indoles with various fluoroalcohols is achieved by the palladium-catalyzed weak chelation assistance strategy. The reaction is compatible for a range of important functionalities and proceeds via the intermediacy of a six-membered palladacycle following a Pd(II)/Pd(IV) pathway. image
}, keywords = {C-H activation, indoles, Palladium, Regioselective, Trifluoroalkoxylation}, issn = {1867-3880}, doi = {10.1002/cctc.202401188}, author = {Vijaykumar, Muniyappa and Gonnade, Rajesh G. and Punji, Benudhar} } @article {49622, title = {Phosphite mediated molecular editing via switch to meta-C-H alkylation of isoquinolines: emergence of a distinct photochemical [1,3] N to C rearrangement}, journal = {Chemical Science}, volume = {16}, year = {2025}, month = {JAN}, pages = {1809-1818}, type = {Article}, abstract = {
The isoquinoline core is present in one of the largest subsets of bioactive natural products. The multifunctional isoquinoline core exerts diverse bioactivity, resulting in the development of numerous isoquinoline-based drugs and molecules that are currently under clinical trials. We developed a new approach for phosphite-mediated [1,2] alkyl migration for an overall ortho-C-H alkylation via N-alkylation of isoquinoline. Tuning the phosphite-mediated protocol to switch the site selectivity would expedite direct and diverse multi-C-H bond functionalization. We report a new approach starting with a simple N-alkylation of isoquinoline with sterically and electronically diverse alkyl bromides for their phosphite-mediated photochemical [1,3] N to C rearrangement followed by a rearomatization sequence that leads to meta-C-H (C4) alkylation. Combined experimental and computational studies unveiled the emergence of an unprecedented C-N bond cleavage pathway from the singlet excited state of the enamine-type intermediate. Our radical bond-cleavage pathway favors substituted alkyl group migration that complements the recently successful meta-alkylation methods with smaller and more reactive electrophiles. This switch in site selectivity via tuning the phosphite-mediated protocol resulted in sequential C-H difunctionalization of isoquinoline including regiodivergent ortho, meta-dialkylations of isoquinolines.
}, issn = {2041-6520}, doi = {10.1039/d4sc07127a}, author = {Rani, Soniya and Ray, Anuj Kumar and Dewangan, Devendra Kumar and Patil, Nita Aruna Ramchandra and Aarthika, M. and Paul, Ankan and Maity, Pradip} } @article {49492, title = {Photocatalytic hydrogen evolution by MoO3@g-C3N4 and MoO3@f-MWCNT nanocomposites in deionized and natural seawater under visible light}, journal = {ACS Applied Nano Materials}, volume = {8}, year = {2025}, month = {MAR}, pages = {7175-7189}, type = {Article}, abstract = {
Visible-light-driven photocatalysts are predominantly useful for converting solar to hydrogen energy via photocatalytic water-splitting reactions. The heterojunction composite materials have exhibited remarkable advantages for visible-light photocatalytic H-2 evolution. We have successfully synthesized MoO3@f-MWCNT and MoO3@g-C3N4 nanocomposites and characterized them using PXRD, UV-DRS, Raman spectroscopy, XPS, PL, TRPL, FE-SEM, HR-TEM, BET, and photocurrent. The photocatalytic water-splitting efficiency of MoO3@f-MWCNT and MoO3@g-C3N4 was measured under visible light (lambda \>= 420 nm) irradiation using TEOA as a sacrificial reagent in DI water and natural seawater. The H-2 evolution rate in DI water for MoO3@f-MWCNT is 2313.56 mu mol g(-)(1) h(-)(1), and for MoO3@g-C3N4 is 2530.35 mu mol g(-1) h(-1) with an apparent quantum efficiency (AQE) of 6.38 and 6.93\%, respectively. In natural seawater, the H-2 evolution rate is 2632.20 and 2845.06 mu mol g(-1) h(-1), with an AQE of 7.21 and 7.77\%, respectively. The rate of H-2 evolution slightly increased in natural seawater than DI water. The Tafel slope values for MoO3@g-C3N4 and MoO3@f-MWCNT are 59 and 92 mV dec(-1), respectively. The lowest Tafel value of MoO3@g-C3N4 exhibited a faster rate of reaction. Thus, the surface interaction between the MoO3 and the porous g-C3N4 materials may create synergistic effects, which facilitate electron transport at the interface and significantly boost the photocatalytic activity. Thus, MoO3@g-C3N4 is a promising photocatalyst for renewable energy production.
}, keywords = {deionized water, electrochemicalHER, MoO3@f-MWCNT, MoO3@g-C3N4 nanocomposites, natural seawater, photocatalytic H-2 evolution}, doi = {10.1021/acsanm.5c00297}, author = {Kangutkar, Raju S. and Walko, Priyanka and Dhepe, P. L. and Nayaka, G. P. and Manjanna, J.} } @article {49623, title = {Photocatalytic oxidation of α-substituted amines to lactams/amides}, journal = {Advanced Synthesis \& Catalysis}, volume = {367}, year = {2025}, month = {FEB }, type = {Article}, abstract = {
We, herein, report a base free, photocatalytic decyanation of alpha-aminonitriles. A range of amides and lactams were obtained in 52-95\% yields. Control experiments indicate O2 as an amide/lactam oxygen source and the reaction (lactam formation) follows radical pathway via dioxetanimine species. This methodology also applied for alpha-ester/aldehyde substituted pyrrolidines in the presence of a base, probably via decarboxylation pathway.
}, keywords = {alpha-Aminonitriles, Decyanation, Dioxetanimine, Photocatalytic, pyrrolidine}, issn = {1615-4150}, doi = {10.1002/adsc.202400871}, author = {Kumar, Manish and Kumar, Pawan and Das, Utpal} } @article {49572, title = {Phytochemical investigation of Cannabis sativa: Isolation and structure determination of spiroindans}, journal = {Journal of Molecular Structure}, volume = {1332}, year = {2025}, month = {JUN}, pages = {141653}, type = {Article}, abstract = {
Four undescribed, beta-, alpha-chevicospiranol (1, 2), 4-prenylspirenone B (3), and, 6-prenylspirenone B (4), along with ten known spiroindans were discovered in Cannabis sativa. The structures were determined through 1D, 2D NMR, HRMS, and quantum mechanical calculations. Compounds 1 and 2 have an unprecedented fused system of 3hydroxychavicol with beta- and alpha-cannabispiranol core, respectively, while 3 and 4 are prenylated spiroindan congeners. Detailed NMR data assignments of isomeric pairs 2a - 2b, 3a - 3b, and 4a - 4b, corrected the misidentification of the previously reported spiroindane, prenylspirodinone (5). Besides, the crystal structures of 2a, 3a, and 5a were determined by SC-XRD experiments.
}, keywords = {Cannabaceae, Cannabis sativa L., Crystal structure analysis of spiro-indans, Indian cannabis variety, NMR data of spiro-indans, Spiro-indans}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.141653}, author = {Nalli, Yedukondalu and Komal and Boccia, Eleonora and Lauro, Gianluigi and Bifulco, Giuseppe and Krishna, Gamidi Rama} } @article {49515, title = {Probing the effect of fluorine on hydrogen bonding interactions in a pharmaceutical hydrate using Advanced Solid-State NMR}, journal = {Molecular Pharmaceutics}, volume = {22}, year = {2025}, month = {MAR }, pages = {1869-1880}, type = {Article}, abstract = {
Structural studies of pharmaceutical hydrates are essential to understanding stability-related issues, especially during the heating process of formulation. A thorough understanding of the hydration and dehydration behavior of active pharmaceutical ingredient (API) hydrate is also important since phase transitions can occur during the formulation process. This is because dehydration could result in a considerable rearrangement in the structure if water-API hydrogen bonding is present. We perform advanced solid-state NMR experiments on regorafenib monohydrate to investigate the role of fluorine in hydrogen bonding interaction, and the results are compared to its anhydrous form and its structural analogue, namely, sorafenib. Our results show that significant structural changes could not be observed on dehydration. Based on our study, it can be concluded that the introduction of fluorine restricts the intramolecular hydrogen bonding and the asymmetry in the structure of regorafenib monohydrate is absent, in comparison to sorafenib.
}, keywords = {DQSQ, Hydrogenbonding, pharmaceutical hydrate, regorafenib, Solid-state NMR}, issn = {1543-8384}, doi = {10.1021/acs.molpharmaceut.4c01055}, author = {Hareendran, Chaithanya and Ajithkumar, T. G.} } @article {49504, title = {Pt-based 3D electrocatalyst with process-friendly features for PEMFCs possessing fast activation and improved mass-transfer properties}, journal = {Advanced Sustainable Systems}, volume = {9}, year = {2025}, month = {APR}, type = {Article}, abstract = {
Polymer-electrolyte-membrane fuel cells (PEMFCs) face the challenges like slow oxygen reduction reaction (ORR) kinetics and limited mass transport at high current densities, which affects their performance. The efficient water removal from the cathode is essential to improve oxygen diffusion. Addressing this, a catalyst is presented with platinum (Pt) nanoparticles distributed within a 3D carbon network (Pt/3DPDC) derived from the polydopamine-coated melamine foam. This unique architecture enhances Pt utilization and water management due to its high porosity and ample free spaces, providing a process-friendly feature for the electrode under PEMFC conditions. The pores and accessible texture of the 3D polydopamine derived carbon (3DPDC) framework facilitate ionomer uptake during the electrode fabrication, extending the active triple-phase boundary and improving the membrane electrode assembly (MEA) performance. The high porosity of Pt/3DPDC is mitigated by adding a small amount of commercial fuel cell catalayst (Pt/C), which maintains the effective catalyst number density per unit area by utilizing the excess porosity of the 3DPDC framework. This controlled interplay of the unique catalyst structure and spatially confined distribution of Pt/C within the Pt/3DPDC framework offers fast activation, reduced electrode flooding, and improved current densities across the operating potential window. This carefully engineered catalyst, designed through bottom-up strategies, is a promising electrocatalyst for practical PEMFC applications.
}, keywords = {Oxygen Evolution Reaction, oxygen reduction reaction, rechargeable flexible zinc-air battery}, issn = {2366-7486}, doi = {10.1002/adsu.202400904}, author = {Pandikassala, Ajmal and Nadumattuvayil, Varsha and Singh, Mayank U. and Jadhav, Swapnil D. and Yoyakki, Athira and Kurungot, Sreekumar} } @article {49579, title = {Rapid and efficient microwave-assisted synthesis of Mn-doped cesium bromide to phase engineered cesium manganese bromide nanocrystals with color-tunable RGB emission}, journal = {Journal of Materials Chemistry C}, volume = {13}, year = {2025}, month = {MAY}, pages = {9465-9473}, type = {Article}, abstract = {
Lead-free perovskite nanocrystals (NCs) have attracted considerable attention due to their excellent optoelectronic properties. However, they generally exhibit broadband emission with poor color purity. Similarly, obtaining tunable red/green/blue (RGB) emissions from lead-free perovskite NCs is highly desirable for several display applications. However, directly synthesizing lead-free perovskite NCs with tunable RGB emission and high color purity remains challenging. Herein, we have developed a simple and rapid microwave-assisted (MW-AT) synthesis strategy for synthesizing Mn-doped CsBr [Mn2+:CsBr] to phase engineering of non-toxic and stable all-inorganic cesium manganese bromide perovskite NCs in a nonpolar solvent with tunable blue-green-red emission color with high color purity. The phase transition was triggered by changing the MnBr2 concentration during the microwave synthesis: from Mn2+:CsBr (blue emission) to zero dimensional (0D) Cs3MnBr5 NCs (green emission) to one dimensional (1D) CsMnBr3 NCs (red emission). In addition, in a controlled moisture environment, both the 0D Cs3MnBr5 and 1D CsMnBr3 NCs were transformed into 0D Cs2MnBr42H2O NCs (blue emission), which could be inversely transformed back to their respective original phase via thermal annealing. Thus, our work highlights for the first time a rapid and efficient MW-AT synthesis strategy to obtain phase-pure tunable optical properties with high color purity from Mn-doped CsBr to cesium manganese bromide perovskite NCs via phase engineering, which can be further utilized in designing anti-counterfeiting and encryption materials for coding with high security and information concealment. Our work also provides a new avenue for exploring efficient MW-AT synthesis of other earth-abundant eco-friendly highly luminescent Pb-free perovskite NCs for future endeavors.
}, issn = {2050-7526}, doi = {10.1039/d5tc00215j}, author = {Sahu, Pragati and Mukherjee, Shatabdi Porel} } @article {49586, title = {Real-time estimation of blood oxygenation parameters from human foot sole during leg elevation: a preliminary study with diffuse reflectance spectroscopy}, journal = {Optics and Laser Technology}, volume = {181}, year = {2025}, month = {FEB}, pages = {111706}, type = {Article}, abstract = {
This study investigated the applicability of diffuse reflectance spectroscopy (DRS) for real-time and non-invasive measurement of blood oxygenation parameters (BOPs) such as reduced hemoglobin (RHb), oxyhemoglobin (HbO(2)), and oxygen saturation (SO2) from human foot sole during leg elevation. Seventeen (17) healthy male subjects aged between 21 to 39 years were included in this study. Diffuse reflectance spectra were recorded from measurement sites namely the 5th metatarsal, ball of great joint, calcaneum, and great toe of the human foot sole w.r.t. leg elevation angles such as 0(0), 15(0), 30(0), 45(0), and 60(0), respectively. The localized BOPs were derived from the recorded spectra. In addition, blood hemodynamic parameters (BHPs) such as heart rate (HR), SO2, perfusion index (PI), systolic blood pressure (SBP), and diastolic blood pressure (DBP) were also measured for each elevating angle. To study and assess the changes in BOPs and BHPs w.r.t. leg elevation, a One-way ANOVA test followed by a Tukey HSD post-hoc test was performed. We observed a statistically significant increase in RHb (p \< 0.001) and a decrease in HbO(2) (p \< 0.001) after 45 degrees of leg elevation, however, there was no statistically significant difference in SO2 (p = 0.74) and HR (p = 0.84) for each measurement site w.r.t. leg elevation, respectively. Furthermore, PI (p \< 0.01), ankle SBP (p \< 0.001) and DBP (p \< 0.001) were decreased w.r.t. leg elevation. The obtained results are in agreement with the literature. The preliminary results suggest that DRS has the potential for real-time estimation of BOPs from the local sites of healthy human foot soles during leg elevation. Thus, it opens the possibility of DRS to monitor and evaluate the diagnosis and treatment of ischemia and edema during leg elevation of patients through BOPs measurement.
}, keywords = {diabetic foot ulcer, diffuse reflectance spectroscopy, Leg elevation, Oxygen saturation, Oxyhemoglobin, Reduced hemoglobin}, issn = {0030-3992}, doi = {10.1016/j.optlastec.2024.111706}, author = {Kumar, Ajay and Lohchab, Viney and Pawar, Dnyandeo and Someshwar, Vimal and Mathe, Vikas and Husale, Sudhir and Kanawade, Rajesh} } @article {49593, title = {Recommendations for sample selection, collection and preparation for NMR-based metabolomics studies of blood}, journal = {Metabolomics}, volume = {21}, year = {2025}, month = {MAY}, pages = {66}, type = {Review}, abstract = {
BackgroundMetabolic profiling of blood metabolites, particularly in plasma and serum, is vital for studying human diseases, human conditions, drug interventions and toxicology. The clinical significance of blood arises from its close ties to all human cells and facile accessibility. However, patient-specific variables such as age, sex, diet, lifestyle and health status, along with pre-analytical conditions (sample handling, storage, etc.), can significantly affect metabolomic measurements in whole blood, plasma, or serum studies. These factors, referred to as confounders, must be mitigated to reveal genuine metabolic changes due to illness or intervention onset.Review objectiveThis review aims to aid metabolomics researchers in collecting reliable, standardized datasets for NMR-based blood (whole/serum/plasma) metabolomics. The goal is to reduce the impact of confounding factors and enhance inter-laboratory comparability, enabling more meaningful outcomes in metabolomics studies.Key conceptsThis review outlines the main factors affecting blood metabolite levels and offers practical suggestions for what to measure and expect, how to mitigate confounding factors, how to properly prepare, handle and store blood, plasma and serum biosamples and how to report data in targeted NMR-based metabolomics studies of blood, plasma and serum.
}, keywords = {Blood, Metabolites, Metabolomics, NMR, Plasma, Serum, Standardization}, issn = {1573-3882}, doi = {10.1007/s11306-025-02259-7}, author = {Emwas, Abdul-Hamid and Zacharias, Helena U. and Alborghetti, Marcos Rodrigo and Gowda, G. A. Nagana and Raftery, Daniel and Mckay, Ryan T. and Chang, Chung-ke and Saccenti, Edoardo and Gronwald, Wolfram and Schuchardt, Sven and Leiminger, Roland and Merzaban, Jasmeen and Madhoun, Nour Y. and Iqbal, Mazhar and Alsiary, Rawiah A. and Shivapurkar, Rupali and Pain, Arnab and Shanmugam, Dhanasekaran and Ryan, Danielle and Roy, Raja and Schirra, Horst Joachim and Morris, Vanessa and Zeri, Ana Carolina and Alahmari, Fatimah and Kaddurah-Daouk, Rima and Salek, Reza M. and LeVatte, Marcia and Berjanskii, Mark and Lee, Brian and Wishart, David S.} } @article {49525, title = {Recovery of intercalated Li and synthesis of reduced graphene oxide from graphite of spent Li-ion battery for supercapacitor application}, journal = {Inorganic Chemistry Communications}, volume = {177}, year = {2025}, month = {JUL}, pages = {114371}, type = {Article}, abstract = {
Spent Li-ion batteries (LIBs) are accumulating rapidly across the world. Anode portion of spent LIBs is comprised of graphite with a significant amount of intercalated Li. Thus, it serves as an important secondary resource of Li. Therefore, this study is focused on the eco-friendly recovery of Li from anode graphite and the conversion of recovered graphite (RG) into reduced graphene oxide (rGO) for its application in supercapacitors. The spent graphite (SG) was dissolved in 0.5 M oxalic acid with a solid-liquid ratio of 50 g L- 1 at 70 degrees C for about 90 min. Under given condition, 100 \% Li was extracted from graphite. The dissolved Li was successfully recovered as Li2CO3. Further, RG was used as a precursor for the synthesis of GO and then converted to rGO by reduction with gallic acid under microwave irradiation. As synthesized rGO was used as an electrode material for supercapacitor application. The rGO electrode exhibited highest specific capacitance of 1211 F g- 1 at a current density of 4 mA cm- 2. It showed energy density 168.2 W h kg- 1 and power density 1000 W kg- 1 with stability up to 2000 cycles (90 \% retention). Further, asymmetric solid-state device (rGO//activated carbon) was fabricated with polyvinyl alcohol - H2SO4 as electrolyte. It exhibited high energy density of 94 W h kg- 1 at a power density of 1200 W kg- 1 and cycling stability up to 1500 cycles with 86.20 \% capacity retention. Hence, rGO synthesized from spent LIB provides an excellent electrode material for construction of supercapacitor devices.
}, keywords = {Graphite anode, Lithium recovery, Recovered graphite, rGO synthesis, Spent Li-ion battery, supercapacitor}, issn = {1387-7003}, doi = {10.1016/j.inoche.2025.114371}, author = {Uppin, Bhagyashree and Sankannavar, Rohini and Kangutkar, Raju S. and Manjanna, Jayappa and Kolekar, Sanjay and Nayaka, Girish P.} } @article {49568, title = {Regioisomeric π-extended nanographene with long-lived phosphorescence afterglow}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {FEB}, pages = {e202422125}, type = {Article}, abstract = {
The cutouts of graphene sheets, particularly those with a nonplanar topology, present vast opportunities for advancement. Even a slight deviation from the planar structure can lead to intriguing (chiro)optical features for helically twisted nanographenes. In this context, we introduce two regioisomeric pi-extended nanographenes that exhibit distinct excited-state characteristics. The helicene structure and the photophysical features can be easily tuned by changing the connecting position of the nanographene to the carbazole core (2,7- and 3,6-). Single-crystal X-ray diffraction analysis confirmed the formation of nanographenes with bent and helical conformations. Both derivatives exhibited thermally activated delayed fluorescence at room temperature and phosphorescence at low temperatures. Notably, the nanographene with the bent structure displayed an impressive red afterglow lasting over 30seconds, in contrast to the very weak afterglow observed in the helical structure. DFT calculations revealed the existence of an isoenergetic higher triplet state (T-8) and comparatively weak spin-orbit coupling (T-1-S-0), thereby enabling the bent nanographene to exhibit a long-lived component and strong afterglow. Our findings highlight the significance of regioisomeric nanographenes with exceptional optical properties and offer a deeper understanding of the structure-property relationship in nonplanar nanographenes.
}, keywords = {Afterglow, CPL, Helicenes, nanographene, Phosphorescence, TADF}, doi = {10.1002/anie.202422125}, author = {Kumar, Viksit and Venugopal, Geethu and Jadhav, Ashok Badrinarayan and Dongre, Sangram D. and Gonnade, Rajesh and Kumar, Jatish and Ruer, Paul C. and Hupp, Benjamin and Steffen, Andreas and Babu, Sukumaran Santhosh} } @article {49594, title = {Resolving salt-cocrystal conundrum in multicomponent crystals by using X-ray quantum crystallography}, journal = {Journal of Physical Chemistry C}, volume = {129}, year = {2025}, month = {MAY}, pages = {9169-9178}, type = {Article}, abstract = {
The structural identity of multicomponent crystals as a salt or cocrystal is dictated by the proton transfer state between the molecular components. In pharmaceutical drugs, solid-state forms such as salts or cocrystals can have significantly distinct stability, dissolution, and solubility profiles. The accurate location of proton positions is a formidable task using conventional X-ray crystallography, as the atomic scattering factors are based on spherical electron density models. Herein, we demonstrate that the X-ray quantum crystallographic (QCr) technique of Hirshfeld Atom Refinement (HAR), based on aspherical atomic scattering factors, can be effectively employed to resolve this riddle. Our HAR models accurately located the proton positions, thus distinguishing salts, cocrystals, and continuum crystal structures, which are substantiated by the N 1s binding energies from X-ray photoelectron spectroscopy (XPS) corresponding to the base components in a series of crystals. The QCr models reveal the subtle features of electron localization and bonding around the double-well potential in the intermolecular proton-transfer regions in these crystals.
}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5c00975}, author = {Sudheendranath, Athul and Tothadi, Srinu and Pradhan, Amit Kumar and Prajapati, Aditya Kumar and Nangia, Ashwini and Thomas, Sajesh P.} } @article {49522, title = {Ruthenium-catalyzed deconstruction of polyolefins: a strategy to up-cycle waste polyethylene to value-added alkene}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {APR}, type = {Article}, abstract = {
Synthesis of value-added products from post-consumer waste polyolefins is fascinating as well as challenging. Here we report ruthenium-catalyzed up-cycling of the polyethylene to long-chain alkene derivatives. The developed methodology mainly involves two steps i.e., dehydrogenation of polyethylene through hydrogen atom transfer and its metathesis using the HG-II catalyst. The dehydrogenation of polyethylene using ruthenium catalysis derived up to 3.38 \%, of double bonds; with 90 \% of the recovered polyolefin material. The obtained unsaturated polyethylene was subjected to cross-metathesis with ethylene using HG-II catalytic system. This resulted in the synthesis of predominantly dodecene (C12) derivatives, with 58 \% selectivity, along with other derivatives of varying chain lengths. The overall reaction produced terminal and internal olefins in the ratio 1:0.8 respectively. The dehydrogenation of polyethylene and its deconstruction was confirmed by NMR spectroscopy, Gel Permeation Chromatography (GPC) and Differential Scanning Calorimetry (DSC). The origin of C12 selectivity has been demonstrated by control experiments. The scope of the methodology was extended to post-consumer waste polyethylene which gave high conversion to value-added dodecene derivatives as a major product.
}, keywords = {Deconstruction, Homogeneous catalysis, ruthenium, Upcycling, Waste plastic}, doi = {10.1002/anie.202422609}, author = {Padhi, Ganeshdev and Khopade, Kishor V. and Moyilla, Nageswararao and Rangappa, Raghavendrakumar and Chikkali, Samir H. and Barsu, Nagaraju} } @article {49575, title = {SANS and SAXS investigation of the melt state structure in disentangled ultrahigh molecular weight polyethylene}, journal = {ACS Macro Letters}, volume = {14}, year = {2025}, month = {MAR}, pages = {349-353}, type = {Article}, abstract = {
Disentangled ultrahigh molecular weight polyethylene exhibits a time-dependent increase in rheology modulus when molten. This originates from its kinetically evolving heterogeneous microstructure consisting of disentangled and entangled regions. We report a quantitative analysis of this microstructure using X-rays and neutrons that capture the signatures of these regions. We analyze the absolute intensities to obtain the volume fraction and size distribution of the disentangled domains in the melt. Employing neutrons, we follow the changes in these parameters with time. The trends are qualitatively similar to those of the previous rheological observations. Our methodology also provides an experimental verification of the theoretical report by McLeish, T. C. B. Soft Matter 2007, 3 (1), 83-87, which predicts the presence of high density disentangled domains in a low density entangled matrix. The analysis presented here is a useful instrument for unveiling the origin of differences in the properties of polymers obtained through different processing routes.
}, doi = {10.1021/acsmacrolett.5c00100}, author = {Sharma, Aakash and Kruteva, Margarita and Willner, Lutz and Romano, Dario and Porcar, Lionel and Dulle, Martin and Zhou, Fuhai and Rastogi, Sanjay and Richter, Dieter} } @article {49531, title = {Self-supported super-hydrophilic interconnected nanospikes and particles of MoS2-Ni3S2/NF with optimum d-band center for anion exchange membrane water electrolyzer}, journal = {Advanced Sustainable Systems}, volume = {9}, year = {2025}, month = {MAR}, type = {Article}, abstract = {
There is an imperative need for highly efficient electrocatalysts for cost-effective hydrogen production. Herein, a self-supported, hybrid composite as a bifunctional electrocatalyst is introduced. This is achieved by in situ growth of MoS2-Ni3S2 on nickel foam (NF), designated as MoS2-Ni3S2/NF, synthesized by a facile one-step hydrothermal synthesis method. MoS2-Ni3S2/NF exhibits low overpotentials of only 187 and 146 mV for OER and HER, respectively, to achieve a current density of 10 mA cm-2 in 1 M KOH. The practical application of the designed bifunctional electrocatalyst is verified by constructing the MoS2-Ni3S2/NF || MoS2-Ni3S2/NF symmetrical membrane electrode assembly (MEA) of 4 cm2 working area for the anion exchange membrane water electrolyzer. The system shows continuous electrolysis for the monitored 48 h duration. For OER, an optimum d-band center of -1.66 eV for the heterostructure is calculated from the Density Functional Theory (DFT) studies. The factors like the unique structure of the electrocatalyst, enhanced hydrophilicity, improved electrochemically accessible number of sites (ECASs), and optimum d-band center, are expected to be the primary contributors to the system{\textquoteright}s improved performance. Thus, the present finding unveils a straightforward synthesis approach for creating a stable electrocatalyst for advancing commercial water electrolysis in the realm of renewable electrochemical energy conversion.
}, keywords = {AEM, d-band center, electrolyzer, HER, OER}, issn = {2366-7486}, doi = {10.1002/adsu.202400957}, author = {Kumar, Yogesh and Barik, Sidharth and Samudre, Nikhil S. and Kharabe, Geeta Pandurang and Chauhan, Inderjeet and Manna, Narugopal and Bhat, Suresh and Kurungot, Sreekumar} } @article {49567, title = {Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition}, journal = {CrystEngComm}, volume = {27}, year = {2025}, month = {FEB}, pages = {1240-1247}, type = {Article}, abstract = {
Enrichment of enantiomers during crystallization of racemic thiourea derivatives was investigated. The spontaneous resolution of a chiral thiourea derivative via preferential crystallization is attributed to thermodynamic stability when molecules of identical chirality bind with each other in the crystal lattice. Single crystal X-ray analysis reveals the interactions responsible for self-recognition of molecules of the same chirality in the unit cell. The tendency of the thiourea derivative to form a conglomerate is supported by IR spectroscopy, thermal analysis and computational studies.
}, doi = {10.1039/d4ce01226g}, author = {Dwivedi, Astha M. and Gonnade, Rajesh G. and Sahoo, Suban K. and Bedekar, Ashutosh V.} } @article {49536, title = {Sequential nitro-michael addition and reductive cyclization cascade reaction for diastereoselective synthesis of multifunctionalized 3,3'-pyrrolidinyl-spirooxindoles}, journal = {European Journal of Organic Chemistry}, volume = {28}, year = {2025}, month = {FEB}, type = {Article}, abstract = {
In this investigation, we elucidated, one-pot two stage efficient synthesis of multifuctionalized spiro[oxindole -3,3 {\textquoteleft}-pyrrolidine]. The methodology proceeds via organocatalyzed nitro-Michael addition reaction between indolylidenecyanoesters and nitroalkanes to formed nitro-Michael adduct which transformed into multifunctionalized 3,3 {\textquoteleft}-pyrrolidinyl-spirooxindoles by metal catalyzed reductive cyclization cascade. DFT investigations were conducted to elucidate the mechanism underlying the preferential reduction of the nitro group, with subsequent attack on the nitrile and ester groups remain inert throughout the reaction process. The approach is operationally simple, easily scalable, exhibits compatibility with readily accessible starting material and catalysts, thereby emphasizing cost-effectiveness.
}, keywords = {3 {\textquoteleft}-pyrrolidinyl spirooxindoles, DFT study for regioselective cyclization, Diastereoselective 3, organocatalysis, Pd/C catalysed partial reductive spirocyclization}, issn = {1434-193X}, doi = {10.1002/ejoc.202401121}, author = {Nichinde, Chandrakant B. and Bhati, Meema and Girase, Amardipsing S. and Patil, Baliram R. and Chaudhari, Suryakant S. and Gamidi, Rama Krishna and Joshi, Kavita and Kinage, Anil K.} } @article {49431, title = {Shola: a 3D porous hydrophobic-oleophilic lignocellulosic material for efficient oil/water separation}, journal = {Journal of Materials Chemistry A}, volume = {13}, year = {2025}, month = {JAN}, pages = {1983-1995}, type = {Article}, abstract = {
Transitioning from the fossil fuel era to a sustainable future requires increasing adoption of high-performing renewable materials in industrial applications. Natural polymers derived from lignocellulosic materials are often considered more environmentally friendly than their petroleum-based synthetic analogs. Aeschynomene aspera, commonly known as Shola, has been found to be a large source of amorphous cellulose and a useful sorbent for the removal of oil from water. The Shola pith, the pure white inner stem, is rich in cellulose and has an exquisite three-dimensional and hierarchical porous architecture created by nature. The pith consists of about 70 wt\% cellulose as the main chemical component, which is much higher than what is found in other lignocellulosic sources. In addition, the pith has about 12 wt\% hemicellulose, 2-3 wt\% pectin, 10 wt\% lignin, 2.5 wt\% wax, and 2 wt\% protein as other chemical components. It was observed that water has a high contact angle (135 degrees) on the surface of the pith, while oil droplets instantly spread on the surface, indicating excellent hydrophobic-oleophilic properties. Further studies reveal that the Shola pith exhibits a fast and high sorption capacity of 40-60 g/g for various oils and organic liquids. Silicone oil shows a sorption capacity of about 166 g/g. When applied to oil-floating-over-water, the Shola pith exhibits high selectivity for oil over water; almost all oil on the surface could be removed, leaving no trace of oil on the water surface. The Shola pith can also efficiently separate oil from an oil-in-water emulsion. This behavior is unprecedented in natural sorbents. The used material sorbs a considerable volume of the oil even after the 7th cycle. Furthermore about 95\% of sorbed oil could be recovered from the material by solvent extraction. This study reveals for the first time some of the unique and interesting properties of Shola, a widely found biomass native to the eastern parts of the Indian subcontinent, and opens up possibilities of exploiting it for valuable applications.
}, issn = {2050-7488}, doi = {10.1039/d4ta06463a}, author = {Mondal, Keya and Advani, Kushagra and Ghosh, Snigdha and Shanmugnathan, Kadhiravan and Kulsi, Goutam and Sivaram, Swaminathan and Sen Gupta, Sayam} } @article {49603, title = {Simple freeze-thaw based method for efficient purification of recombinant human proinsulin from inclusion bodies}, journal = {Protein Expression and Purification}, volume = {227}, year = {2025}, month = {MAR}, pages = {106645}, type = {Article}, abstract = {
Insulin is a pivotal peptide hormone essential for regulating glucose homeostasis. It has been known for over 100 years, but its production and purification methods are still under improvement. Escherichia coli based bacterial expression system is primarily used for insulin production. The human insulin protein expressed in bacteria usually forms inclusion bodies, complicating the purification process. Traditionally, insulin purification is a timeconsuming process involving urea-based denaturation methods, and various refolding techniques, followed by extensive chromatographic methods. Here, we report an easy and efficient purification of human proinsulin involving freeze-thaw based solubilization method. The extracted proinsulin inclusion bodies are treated with different concentrations of urea, followed by a freeze-thaw based solubilization. The freezing was carried out at various temperatures, mainly -80 degrees C, -20 degrees C, and -196 degrees C to determine the optimum condition for solubilization. Highest solubilization of proinsulin from the inclusion body was achieved with 0.5M urea and -20 degrees C. Further Nickel NTA-based purification was performed, and the purified protein was characterized for disulfide mapping by high-resolution mass spectrometer (HRMS). We also performed glucose uptake assays to validate the functional properties of purified proinsulin. This freeze-thaw based mild solubilization approach is a fast and effective method for getting bioactive proinsulin, which will help further design better purification and processing strategies for insulin production.
}, keywords = {Diabetes, Disulfide mapping, glucose, insulin, Mass spectrometry}, issn = {1046-5928}, doi = {10.1016/j.pep.2024.106645}, author = {Rajesh, S. and Jathar, Swaraj and Banarjee, Reema and Sharma, Monika and Palkar, Shivani and Shankar, S. Shiva and Kulkarni, Mahesh J.} } @article {49493, title = {Squaraine dyes as efficient photoredox catalysts for PET-RAFT polymerization in batch and flow modes accelerated by suppression of dye aggregation}, journal = {Macromolecules}, volume = {58}, year = {2025}, month = {MAR}, pages = {2850-2859}, type = {Article}, abstract = {
Organic photoredox catalysts (PCs) based on squaraine dyes are investigated for photoinduced electron transfer-reversible addition-fragmentation chain transfer (PET-RAFT) polymerization under visible-light (lambda max = 485 nm) irradiation in the presence of triethylamine that suppresses self-aggregation of dye and accelerates the polymerization. Several commonly used PCs are also screened, and self-aggregation is found to be reduced with triethylamine, thus providing a simple and effective approach to reduce aggregation of PCs. There is no induction period, and total polymerization time is shorter for squaraine dye PCs than for reported PCs under similar conditions. The photocatalyst system is amenable to polymerization by using different RAFT agents. Methyl methacrylate and a range of functional methacrylates are polymerized with good control over molecular weight and narrow dispersity in a first-order reaction with a random switch {\textquoteleft}{\textquoteleft}ON-OFF{\textquoteright}{\textquoteright} of the light source and even without an inert atmosphere. The mechanism of polymerization without and with requirement of triethylamine is elucidated using control experiments and found to be an oxidative and reductive electron transfer, respectively. A series of diblock and random copolymers of methyl methacrylate with methacrylate monomers are synthesized. Controlled polymerization is also demonstrated using a continuous-flow method and in an aqueous medium.
}, issn = {0024-9297}, doi = {10.1021/acs.macromol.4c02612}, author = {Patil, Anil M. and Nawghare, Indrajeet S. and Nithyanandhan, Jayaraj and Ambade, Ashootosh V.} } @article {49509, title = {Stereoselective strategies for the synthesis of functionalized cis-hydrindanes in natural product synthesis}, journal = {European Journal of Organic Chemistry}, volume = {28}, year = {2025}, month = {APR}, type = {Review}, abstract = {
The cis-hydrindane motif is a bicyclic structure commonly found in many natural products that exhibit significant biological activity. This structural feature is present in a variety of bioactive compounds, particularly terpenoids, steroids, and alkaloids, which are known for their therapeutic potential, including anti-inflammatory, antimicrobial, antiviral, and anticancer properties. Due to its prevalence and biological relevance, the cis-hydrindane framework has attracted considerable attention from synthetic chemists, who have devoted substantial effort toward developing efficient and diverse methods for constructing this important motif. Many of the synthesized cis-hydrindane compounds have been used as key intermediates or building blocks in the total synthesis of complex natural products. This review provides an overview of strategic approaches for synthesizing functionalized cis-hydrindanes and its derivatives from 2000 to the present day, focusing on their application in natural product synthesis. By examining the diverse methods and their impact on natural product synthesis, this review will underscore the enduring importance of the cis-hydrindane framework in both synthetic organic chemistry and medicinal chemistry.
}, keywords = {annulation, Cis-hydrindane, Diel-Alder reaction, Natural products, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.202500006}, author = {Survase, Vijayanand U. and Handore, Kishor L.} } @article {49385, title = {Structure and properties of the cellulose fibres spun from imidazolium-based carboxylate functionalized zwitterionic liquid}, journal = {CARBOHYDRATE POLYMERS}, volume = {348}, year = {2025}, month = {JAN }, keywords = {cellulose, Direct dissolution, Zwitterionic liquid}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2024.122804}, author = {Jadhav, Sachin and Singh, Dhirendra and Gupta, Deepika and Ganvir, Vivek and Singh, Madan Kumar and Shanmuganathan, Kadhiravan} } @article {49507, title = {Studies on the stereoselective synthesis of sacubitril via a chiral amine transfer approach}, journal = {Chemistry-An Asian Journal}, volume = {20}, year = {2025}, month = {MAR }, type = {Article}, abstract = {
We present a comprehensive account of our efforts directed towards the synthesis of sacubitril, a neprilysin inhibitor used in combination with valsartan and marketed as Entresto (TM). Our initial approach to the formal synthesis of sacubitril employed a chiral pool strategy, utilizing (S)-pyroglutamic acid as a key building block and Cu(I)-mediated Csp2-Csp3 cross-coupling as a key transformation. Further investigations led to the development of chiral amine transfer (CAT) reagents-based stereoselective synthesis. This involved the E-selective construction of gamma-ylidene-butenolide from readily available biphenyl bromide and 4-pentynoic acid, the conversion of this butenolide to its ene-lactam using chiral amine, and substrate-controlled diastereoselective reduction of ene-lactam using Et3SiH or Pd/C, H2 (overall chiral amine transfer) as key transformations. Antipodal lactam intermediates were synthesized using corresponding chiral amines, and the stereochemical outcomes during the ene-lactam reduction with Et3SiH were rationalized by DFT studies.
}, keywords = {Chiral Amine Transfer (CAT) approach, Chiral pool approach, Sacubitril, stereoselective synthesis}, issn = {1861-4728}, doi = {10.1002/asia.202401223}, author = {Sadanande, Megha V. and Thorat, Sagar S. and Sharma, Himanshu and Singh, Geetika and Vanka, Kumar and Gonnade, Rajesh G. and Kontham, Ravindar} } @article {49553, title = {Study of magnetism and electrocatalytic properties in perovskite DyCrO3}, journal = {Journal of Alloys and Compounds}, volume = {1016}, year = {2025}, month = {FEB }, pages = {178934}, type = {Article}, abstract = {
Uniformly sized perovskite DyCrO3 was synthesized by facile hydrothermal method. Complex interdependence of various parameters such as - pH, crystal growth duration, reaction temperature, precursor, and capping molecules on crystal growth was extensively investigated. The effect of synthesis parameters on the magnetic properties of hydrothermally synthesized DyCrO3 was compared with high-temperature synthesized DyCrO3. DyCrO3{\textquoteright}s potential for electrocatalytic water splitting in an alkaline medium (1.0 M KOH) was also evaluated. It demonstrates an overpotential of 280 mV for oxygen evolution reaction (OER) and 210 mV for hydrogen evolution reaction (HER). Further, it exhibits promising stability for OER and HER.
}, keywords = {DyCrO3, Electrocatalytic water splitting, Hydrothermal synthesis, magnetic property, perovskite}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2025.178934}, author = {Ughade, Supriya and Singh, Dinesh and Poddar, Pankaj} } @article {49496, title = {Synergistic improvement of narrow bandgap PbS quantum dot solar cells through surface ligand engineering, near-infrared spectral matching, and enhanced electrode transparency}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {JAN}, pages = {6614-6625}, type = {Article}, abstract = {
The tunability of the energy bandgap in the near-infrared (NIR) range uniquely positions colloidal lead sulfide (PbS) quantum dots (QDs) as a versatile material to enhance the performance of existing perovskite and silicon solar cells in tandem architectures. The desired narrow bandgap (NBG) PbS QDs exhibit polar (111) and nonpolar (100) terminal facets, making effective surface passivation through ligand engineering highly challenging. Despite recent breakthroughs in surface ligand engineering, NBG PbS QDs suffer from uncontrolled agglomeration in solid films, leading to increased energy disorder and trap formation. The limited NIR transparency of commonly used indium-doped tin oxide (ITO) electrodes and inadequate NIR radiation from commercially available solar simulators further compromise the true performance of NBG PbS QDs in solar cells. Here, we employ a hybrid ligand strategy based on inorganic cadmium halide and organic thiol molecules, leading to the partial substitution of surface Pb atoms with Cd heteroatoms. This hybrid ligand strategy substantially reduces undesired QD fusion in solid films, improving the photophysical and electronic properties. By modulating the thickness of the ITO layer and managing refraction loss through a ZnO layer coating, we improved NIR transparency to above 80\%. We combine an NIR light source with a solar simulator to achieve near-ideal spectral matching for a broader range with standard AM1.5G illumination. Enhancements in surface passivation of QDs, improvements in NIR transparency of electrodes, and a spectral matched light source setup help us achieve solar cell power conversion efficiencies of 12.4\%, 4.48\%, and 1.37\% under AM 1.5G, perovskite filter, and silicon filter illuminations, respectively. A record open-circuit voltage (V oc) of 0.54 V and short-circuit current density (J sc) of 38.5 mA/cm2 are achieved under AM 1.5G illumination. We attribute these advancements in photovoltaic parameters to the reduction in Urbach tail states and intermediate trap density originating from superior surface passivation of QDs.
}, keywords = {lead sulfide, ligand passivation, near-infrared, quantum dots, solar cell, tandem solarcell}, issn = {1944-8244}, doi = {10.1021/acsami.4c22334}, author = {Sharma, Anjali and Shinde, Dipak Dattatray and Mahajan, Chandan and Dambhare, Neha V. and Biswas, Arindam and Mitra, Anurag and Girade, Vrushali S. and Rath, Arup K.} } @article {49527, title = {Synthesis and concomitant polymorphs of green fluorescence protein chromophore-anthracene-based fluorescent analogue}, journal = {Crystal Growth \& Design}, volume = {25}, year = {2025}, month = {FEB}, pages = {1011-1022}, type = {Article}, abstract = {
Controlled variations in fluorescence properties hold significant promise for applications in optical sensors, bioimaging, and advanced display devices. However, constructing multicolor fluorescent systems remains a challenge. In this study, we demonstrate the development of multicolor fluorescence by generating polymorphs of a novel green fluorescent protein chromophore analogue, which exhibits distinct photoluminescence emissions in the solid state. The observed emission variations are attributed to differences in molecular conformation due to variations in pi-stacking interactions between the polymorphs. This offers a novel approach to designing materials with tunable fluorescence properties.
}, issn = {1528-7483}, doi = {10.1021/acs.cgd.4c01347}, author = {Mali, Bhupendra P. and Dabke, Niteen B. and Dash, Soumya R. and Biswas, Anupam and Vanka, Kumar and Manoj, Kochunnoonny and Gonnade, Rajesh G.} } @article {49624, title = {Synthesis and structural studies of ammonium exchanged synthetic analogue of disordered aluminosilicate natrolite}, journal = {Microporous and Mesoporous Materials}, volume = {384}, year = {2025}, month = {FEB}, pages = {113441}, type = {Article}, abstract = {
The current article reports preparation and structural analysis of NH4+ exchanged form of synthetic natrolite zeolite (NH4-natrolite) with disordered structure wherein Si and Al occupies all the tetrahedral (T) sites in the zeolite framework. Structural data is used to gain insight into the structural parameters those influence thermal stability of its proposed H-form. NH4-natrolite is prepared by ion-exchange method from K-natrolite (which was also obtained by ion-exchange with Na-natrolite). Na-natrolite, K-natrolite and NH4-natrolite prepared in this study were tested for their structural, morphological and thermal analysis. Synchrotron X-ray diffraction data was utilized to estimate the crystal structures of hydrated forms of Na-natrolite, K-natrolite and NH4-exchanged natrolites. Thermal analysis of NH4-natrolite revealed that the dehydration is followed by removal of ammonia during calcination. The role of the size (radius) and nature (either divalent or monovalent) of the exchangeable cations present in the channels, the framework chemical content and extent of {\textquoteleft}T{\textquoteright} atom ordering have been collectively discussed and correlated with the structural behaviour of calcined NH4-natrolite to explain its thermal stability in better way.
}, keywords = {Crystal structure of natrolite, Disordered framework, zeolite}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2024.113441}, author = {Gavhane, Manjusha J. and Jha, R. K. and Nam, Kyung-Wan and Bhange, Deu S.} } @article {49558, title = {Synthesis, biological screening, and molecular docking of hybrid pyrazole scaffolds for antitubercular and antimicrobial activity}, journal = {ChemistrySelect}, volume = {10}, year = {2025}, month = {JAN}, pages = {e202404830}, type = {Article}, abstract = {
This study reports the synthesis, characterization, and docking analysis of 21 novel compounds, including asymmetric dihydropyridines (4a-4o) and chalcones (6a-6f), derived from coupling 1,3-(substituted)-diphenyl-1H-pyrazole-4-carbaldehyde with active methylene compounds and 3-acetyl-4-hydroxycoumarin, respectively. Structural confirmation was achieved through 1H and 13C NMR, IR, and mass spectrometry. Biological screening against mycobacterium tuberculosis H37Ra identified compounds 4b, 4d, 4f, 4g , 4i, 4k, 6e, and 6f as significant antitubercular agents. Antibacterial evaluation at 30 mu g/mL showed selective inhibition of gram-positive bacteria, with compound 6e active against Staphylococcus aureus and Bacillus subtilis, and 6f showing activity specifically against S. aureus. Docking studies indicated effective InhA binding (Delta G = -3.52 to -7.27 kcal/mol) and inhibition constants ranging from 2640 to 4.71 mu M. Key binding interactions with residues TYR156 and ILE192 were observed, enhancing affinity, particularly for compound 6e. The SAR analysis emphasized the enhanced antitubercular potency of 2-chloroacetyl and 2,4-dichlorobenzoyl substitutions in the dihydropyridine series, while in the chalcone series, specific substitutions, such as the 3-nitro substitution in 6e, enhance antitubercular and antimicrobial potency due to stronger hydrogen bonding and increased polar surface area, while the 4-fluoro substitution in 6f confers selective activity against S. aureus.
}, keywords = {1, 4-dihydropyridine, 4-hydroxy coumarin, Biological activity, In silco studies, Pyrazole}, issn = {2365-6549}, doi = {10.1002/slct.202404830}, author = {Bavishi, Abhay and Vala, Hardev and Radadiya, Ashish and Swami, Sagar and Thakrar, Shailesh and Sarkar, Dhiman and Shah, Anamik} } @article {49517, title = {Synthesis, characterization and theoretical investigations of the newly developed molecular salts of an anti-psychotic drug (Penfluridol)}, journal = {Journal of Molecular Structure}, volume = {1328}, year = {2025}, month = {APR}, pages = {141392}, type = {Article}, abstract = {
Penfluridol (PEN) is a clinically relevant antipsychotic medication used to treat schizophrenia; nevertheless, its bioavailability is limited due to its poor solubility. To address this issues, new molecular salts of PEN are being produced utilizing an array of GRAS (Generally Recognised AS Safe) salt formers such as oxalic acid (OXA), malonic acid (MAL), maleic acid (MAE), and an artificial sweetener (saccharin (SAC)). A variety of solid-state analytical techniques were used to identify and characterize the resulting molecular salts. Moreover, PEN and its novel salts{\textquoteright} solubility were assessed using high-performance liquid chromatography (HPLC) and the data revealed that among all the adducts PEN.MAL exhibited a significantly higher solubility which is similar to 15 times more than the parent drug PEN. Furthermore, in order to enhance comprehension of the hydrogen bonding interaction, the Hirshfeld surface (HS), frontier molecular orbital (HOMO-LUMO), non-covalent interaction plots (NCIs), and electrostatic potential maps (ESP) investigations are discussed. Additionally, the stability of the synthesized adducts was evaluated over a 2-week period under accelerated humidity (90 \% +/- 5 \% RH, 40 +/- 1 degrees C) and it was observed that all the adducts demonstrated excellent stability. In light of the aforementioned observations, we expect that the latest discovery will be a superior alternative for refining and strengthening the pharmacological features of PEN.
}, keywords = {Anti-psychotic drug, Hydrogen bond, Liquid-assisted grinding (LAG), solubility}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2025.141392}, author = {Kenguva, Gowtham and Rout, Smruti Rekha and Kar, Ananya and Giri, Lopamudra and Mahapatra, Sanat Kumar and Shaikh, Tabrez R. and Baidya, Debjani and Shelke, Nikita and Dandela, Rambabu} } @article {49625, title = {Synthesis, crystal structure and Hirshfeld analysis of a novel supra-molecular compound [Co(tsc)3]2[Co(cit)2](NO3)4{\textperiodcentered}4H2O}, journal = {Acta Crystallographica Section E-Crystallographic Communications}, volume = {81}, year = {2025}, month = {MAR}, pages = {248-251}, type = {Article}, abstract = {
A new cobalt complex, bis-[tris-(amino-thio-urea)cobalt(III)] bis-[2-(carb-oxy-methyl)-2-hy-droxy-butane-dioato]cobalt(II) tetra-nitrate tetra-hydrate, [Co(CH5N3S)3][Co(C6H6O7)2]0.5(NO3)2{\textperiodcentered}2H2O, designated as [Co(tsc)3]2[Co(cit)2](NO3)4{\textperiodcentered}4H2O, was synthesized. Two crystallographically independent cobalt centers are present. In the first, the central metal atom is chelated by three thio-semicarbazide ligands in a bidentate fashion whereas the second, positioned on a crystallographic inversion center, is hexa-coordinated by two citrate anions in a distorted octa-hedral geometry. Additionally, two water mol-ecules and two nitrate anions are present in the\ asymmetric unit.\ Hirshfeld surface analysis revealed that the presence of numerous donor and acceptor groups in the complex, which facilitate hydrogen-bonding inter-actions that contribute significantly to the overall cohesion of the crystal structure.
}, doi = {https://doi.org/10.1107/S2056989025001136}, author = {Nuralieva, Guzal and Umirzakova, Oydinoy and Torambetov, Batirbay and Rasulov, Abdusamat and Ashurov, Jamshid and Kadirova, Shakhnoza} } @article {49443, title = {Synthesis framework for designing PtPdCoNiMn high-entropy alloy: a stable electrocatalyst for enhanced alkaline hydrogen evolution reaction}, journal = {Small}, volume = {21}, year = {2025}, month = {JAN}, type = {Article}, abstract = {
High entropy alloys (HEAs) are an emerging class of advanced materials characterized by their multifunctionality and potential to replace commercial catalysts in electrocatalytic water splitting. The synergy among the various alloyed elements in HEAs makes them particularly promising for applications in electrocatalysis. However, preparation of HEA via bottom-up approaches by avoiding the formation of mono, di, and tri metallic alloys in the nanoscale is challenging. This aspect is addressed, in this study by exploring the logical selection of solvents, reducing agents, and capping agents, along with their relative fractions, in the solvothermal synthesis of the HEA comprising platinum-palladium-cobalt-nickel-manganese (PtPdCoNiMn). It is established that the reducing capabilities of both the solvent and reducing agent are crucial for the reduction of each metal to form a single-phase HEA. The synthesized HEA (20 wt.\%)/functionalized carbon (FC) demonstrates excellent performance as an HER catalyst, exhibiting a low overpotential of 48.7 mV at -10 mA cm-2 in an alkaline electrolyte. This performance is characterized by high reaction kinetics and stability at elevated current densities. Furthermore, the catalyst shows impressive performance in both simulated and actual seawater. This development reduces the reliance on platinum while enhancing the long-term durability and catalytic efficiency of the electrocatalyst.
}, keywords = {electrocatalysts, HER, high entropy alloys, solvothermal synthesis}, issn = {1613-6810}, doi = {10.1002/smll.202408317}, author = {Chandran, M. Athira and Sahoo, Sudeshna and Singh, Ashutosh K. and Prasad, Bhagavatula L. V.} } @article {49547, title = {Synthesis of isatins via oxone{\textregistered} /TBAI-mediated on-water oxidation of indoles}, journal = {Synthesis-Stuttgart}, volume = {57}, year = {2025}, month = {MAY}, pages = {1583-1591}, type = {Article}, abstract = {
Isatins and their derivatives are important scaffolds in a wide range of pharmaceuticals, bioactive compounds, and functional materials. Herein we describe a new strategy for the synthesis of isatins from indoles via Oxone (R)/TBAI-mediated oxidative dearomatization of indoles in water. The strategy works well with a variety of N-protected indoles and azaindoles.
}, keywords = {dearomatization, indoles, isatins, Oxidation, Water}, issn = {0039-7881}, doi = {10.1055/a-2492-3240}, author = {Khajuria, Pratiksha and Bag, Debojyoti and Sawant, Sanghapal D.} } @article {49225, title = {Tailoring the electrochemical properties of ZnS electrodes via cobalt doping for improved supercapacitor application}, journal = {JOURNAL OF ELECTRONIC MATERIALS}, volume = {54}, year = {2025}, month = {JAN}, pages = {451-461}, type = {Journal Article}, keywords = {capacitance, Co-doped, supercapacitor, ZnS}, issn = {0361-5235}, doi = {10.1007/s11664-024-11535-6}, author = {Tom, Emmanuel and Velluva, Abhijai and Joseph, Anit and Thomas, Tiju and Sha, Mizaj Shabil and Jithin, V, P. and Thomas, Deepu and Sadasivuni, Kishor Kumar and Kurian, Joji} } @article {49537, title = {Tf2O-Induced C(sp2)-N(sp2) bond formation: one-pot synthesis of N-heteroarene quaternary salts in nonbenzenoid skeleton of tropolone alkaloids under mild reaction conditions}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {MAR}, pages = {2592-2596}, type = {Article}, abstract = {
Naturally occurring protoalkaloids, such as colchicine and colchicoside, have significant medical applications and are used globally to treat a variety of diseases. We report herein a C(sp2)-N(sp2) bond formation protocol via a Tf2O (triflic anhydride)-assisted one-pot aromatic nucleophilic substitution (SNAr) reaction on various naturally occurring biologically active compounds such as colchicine, 3-demethyl colchicine, and 2-methoxy tropone under mild reaction conditions. Synthesis of bench-stable heterotropone quaternary salts was achieved by the reaction of tropolone alkaloids with diverse non-nucleophilic N-heterocycles. The developed methodology demonstrates wide substrate scope with good to very good yield. Our devised approach paves the way for future drug design efforts involving bioactive natural products with tropolone skeletons.
}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c00183}, author = {Lohote, Mahendra V. and Bhattacharya, Asish K.} } @article {49563, title = {Thermal properties of polyethylene-grafted sheetlike silsesquioxanes}, journal = {ACS Applied Polymer Materials}, volume = {7}, year = {2025}, month = {MAR}, pages = {4290-4300}, type = {Article}, abstract = {
Polyethylene-grafted layered silsesquioxanes, termed polyethylene-clays (PEC), are nanocomposites comprising polyethylene chains tethered to inorganic sheets with a phyllosilicate-like structure. Here, we report that these nanocomposites show two-stage crystallization on cooling, qualitatively different from previous reports on polyethylene nanocomposites. We employ differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS) to study the melting and crystallization of PEC. End tethering of the polyethylene chains to a nanosheet strongly influences the manner in which PEC crystallizes from the melt on cooling. PEC exhibits two-step crystallization, characterized by a sharp high-temperature exotherm, followed by a broader exotherm at lower temperatures, in contrast to a single sharp exotherm for neat polyethylene. SAXS indicates that lamellar stacks form at high temperatures and that the low-temperature exotherm corresponds to the formation of additional lamellae and their insertion within these stacks. PEC exhibits lower peak melting temperature, lower crystallinity, and a wider melting range relative to polyethylene. We show that the progress of crystallization of PEC is determined by its ultraslow relaxation dynamics. In contrast, PEC in xylene solution exhibits a significantly shorter relaxation time than the melt PEC. Such systems exhibited a single exotherm on cooling and SAXS structure factor peaks with peak positions in a ratio of 1:2. We hypothesize that the high melt viscosity inhibits the crystallization-induced decrease in the specific volume of PEC, resulting in tensile internal stresses that determine the observed thermal behavior.
}, keywords = {clay, Crystallization, Nanocomposite, Polyethylene, silsesquioxane}, issn = {2637-6105}, doi = {10.1021/acsapm.4c04181}, author = {Sharma, Vivek and Paulbudhe, Uday and Gupta, Poonam and Zalte, Akshat Shirish and Chikkali, Samir H. and Kumaraswamy, Guruswamy} } @article {49268, title = {Thrombin immobilized hemocompatible radiopaque polyurethane microspheres for topical blood coagulation}, journal = {JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A}, volume = {113}, year = {2025}, month = {JAN}, type = {Journal Article}, keywords = {ALGINATE MICROSPHERES, ENDOVASCULAR TREATMENT, PRECISE LOCALIZATION}, issn = {1549-3296}, doi = {10.1002/jbm.a.37828}, author = {Naik, Sonali S. and Torris, Arun and Ghuge, Gorakh Hiraman and Karthika, V. K. and Joseph, Roy and Nair, Kiran Sukumaran} } @article {49500, title = {Total synthesis of linear lipodepsipeptide kavaratamide A and its C25-epimer}, journal = {Organic \& Biomolecular Chemistry}, volume = {23}, year = {2025}, month = {FEB}, pages = {1819-1822}, type = {Article}, abstract = {
We report the stereoselective total synthesis of kavaratamide A, a linear lipodepsipeptide from the cyanobacterium Moorena bouillonii (collected in Kavaratti, India), and its unnatural C25-epimer. The convergent approach employs Keck asymmetric allylation to construct the chiral beta-hydroxy carboxylic acid fragment [(3S)-HDA; 3-hydroxydecanoic acid], while the peptide unit was assembled from l-Val, N-Me-l-Ala, (S)-Hiva, and (S)-iPr-O-Me-pyr using well-orchestrated coupling methods to prevent racemization. Modifications to the Keck allylation conditions enabled the synthesis of the C25-epimer with good yield. Cytotoxicity of kavaratamide A and C25-epi-kavaratamide A, assessed using the MTT assay, demonstrated moderate activity against HepG2 and PANC-1 cell lines.
}, issn = {1477-0520}, doi = {10.1039/d4ob01970a}, author = {Sahu, Manas Ranjan and Ingale, Sudhir R. and Kontham, Ravindar} } @article {49585, title = {Transit of NEAT1 and MTP11 to the plasma membrane and co-localization to vesicles support a role for exocytosis-mediated export in metal homeostasis}, journal = {Physiologia Plantarum}, volume = {177}, year = {2025}, month = {JAN}, pages = {e70067}, type = {Article}, abstract = {
Understanding the role and mode of action of nutrient transporters requires information about their dynamic associations with plant membranes. Historically, apoplastic nutrient export has been associated with proteins localized at the plasma membrane (PM), while the role of endomembrane localization has been less explored. However, recent work on the PHOSPHATE 1 (PHO1) inorganic phosphate (Pi) exporter demonstrated that, although primarily localized at the Golgi and trans-Golgi network (TGN) vesicles, PHO1 does associate with the PM when clathrin-mediated endocytosis (CME) was inhibited, supporting a mechanism for Pi homeostasis involving exocytosis. We explored whether CME inhibition can identify other transporters that, although primarily localized at Golgi/TGN at steady-state level, also transit via the PM and are potentially involved in export via exocytosis. We found that, similar to PHO1, Golgi-localized transporters NA EFFLUX TRANSPORTER1 (NAET1) and METAL TOLERANCE PROTEIN11 (MTP11) relocate to the PM when CME is inhibited, both transiently in Nicotiana benthamiana and conditionally in Arabidopsis thaliana. Such PM re-localization of transporters upon CME inhibition is specific, since it does not occur with several other Golgi-associated transporters, including MTP5 and BIVALENT CATION TRANSPORTER 3 (BICAT3), as well as resident Golgi/TGN membrane proteins, such as alpha-1,2-MANNOSIDASE I (Man1) and VESICLE TRANSPORT V-SNARE 12 (VTI12). Additionally, we observed that NAET1, MTP11 and PHO1 all partially co-localize to vesicles. Overall, our study supports a role for synaptic-like vesicle-mediated exocytosis for both NEAT1 and MTP11 in nutrient transport in plants and highlights the importance of assessing the transient localization of Golgi/TGN proteins to the PM.
}, issn = {0031-9317}, doi = {10.1111/ppl.70067}, author = {Vetal, Pallavi V. and Jaskolowski, Aime and Poirier, Yves} } @article {49519, title = {Triple G-C-T base-coded self-assembling water-soluble nucleobase monomers with a broad scope for biomaterial and protein bioconjugation applications}, journal = {Journal of Organic Chemistry}, volume = {90}, year = {2025}, month = {FEB}, pages = {2822-2829}, type = {Article}, abstract = {
We report self-assembling water-soluble nucleobase monomers with a broad scope for biomaterial and protein bioconjugation applications. These nucleobase monomers are adorned with nature-inspired triple G-C-T nucleobases featuring three recognition sites: DDA (G mimic), DAA (C mimic), and ADA (T mimic). Using readily accessible starting materials, these monomers can be synthesized in excellent yields, making them good choices for diverse applications. Their unique structural features, coupled with their water solubility, may offer exciting opportunities for the creation of new biomaterials.
}, issn = {0022-3263}, doi = {10.1021/acs.joc.4c02745}, author = {Singh, Dharmendra and Gone, Nilu V. and Bandi, Kiran and Davis, Disiya and Nair, Kiran Sukumaran and Sanjayan, Gangadhar J.} } @article {49451, title = {Ultrabroad near infrared emitting perovskites}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {JAN}, type = {Article}, abstract = {
Phosphor converted light emitting diodes (pc-LEDs) have revolutionized solid-state white lighting by replacing energy-inefficient filament-based incandescent lamps. However, such a pc-LED emitting ultrabroad near-infrared (NIR) radiations still remains a challenge, primarily because of the lack of ultrabroad NIR emitting phosphors. To address this issue, we have prepared 2.5 \% W4+-doped and 2.8 \% Mo4+-doped Cs2Na0.95Ag0.05BiCl6\ perovskites emitting ultrabroad NIR radiation with unprecedented spectral widths of 434 and 468 nm, respectively. Upon band-edge excitation, the soft lattice of the host exhibits broad self-trapped exciton (STE) emission covering NIR-I (700 nm), which then nonradiatively excites the dopants. The\ \ {\textendash}donor ligand Cl-\ reduces the energy of dopant\ d{\textendash}d\ transitions emitting NIR-II with a peak at ~950 nm. Vibronic coupling broadens the dopant emission. The large spin-orbit coupling and local structural distortion might possibly enhance the dopant emission intensity, leading to an overall NIR photoluminescence quantum yield ~40 \%. The composite of our ultrabroad NIR phosphors with biodegradable polymer polylactic acid could be processed into free-standing films and 3D printed structures. Large (170\ 170 \ ), robust, and thermally stable 3D printed pc-LED panels emit ultrabroad NIR radiation, demonstrating NIR imaging applications.
}, doi = {https://doi.org/10.1002/anie.202415003}, author = {Saikia, Sajid and Gopal, Animesh and Rathod, Radha and Joshi, Aprajita and Priolkar, K. R. and Saha, Surajit and Santra, Pralay K. and Shanmuganathan, Kadhiravan and Nag, Angshuman} } @article {49627, title = {Ultra-small Pd nanoparticles on SBA-15: an efficient catalyst for one-pot reductive alkylation of nitrobenzene with size-dependent activity}, journal = {Topics in Catalysis}, volume = {68}, year = {2025}, month = {FEB}, pages = {414-429}, type = {Article}, abstract = {
One-pot reductive alkylation of nitrobenzene with alcohol is an important organic synthesis reaction to form 2 degrees amines. In the present work, we have demonstrated that Pd/SBA-15 can be an effective catalytic system for this reaction. We have designed ultra-small Pd nanoparticles supported on SBA-15 for the synthesis of secondary amine, N-ethylaniline, through one-pot reductive alkylation of nitrobenzene with ethanol under ambient conditions. Ethanol functions both as the alkylating agent and the solvent in this process. The reaction is driven by the simultaneous hydrogenation of nitrobenzene to aniline, dehydrogenation of ethanol to aldehyde, and condensation of aniline and acetaldehyde to form N-ethylaniline. The size of the Pd nanoparticles plays a decisive role in the product selectivity. The undercoordinated sites present on ultra-small Pd NPs can facilitate ethanol dehydrogenation to acetaldehyde, thereby enhancing the selectivity towards N-ethylaniline compared to larger Pd nanoparticles. We have also studied the effect of different mesoporous supports such as SBA-15, MCM-41, and KIT-6 on the N-ethylaniline selectivity and found that SBA-15 was most selective. We have demonstrated that by carefully designing the catalyst such as controlling the Pd NPs size to obtain the maximum quantity of undercoordinated sites and choosing suitable support, the aliphatic alcohols can also be used for reductive alkylation of nitrobenzene in one-pot with optimum yields of N-alkylaniline.
}, keywords = {KIT-6, MCM-41, Modified deposition precipitation, nitrobenzene, Pd nanoparticles, Reductive alkylation, SBA-15, secondary amines, Undercoordinated Pd sites}, issn = {1022-5528}, doi = {10.1007/s11244-024-02042-3}, author = {Soni, Yogita and Philip, Milda C. and Vinod, Chathakudath P.} } @article {49524, title = {Ultrasound emulsification: effect of additives on dispersed phase volume and droplet size}, journal = {Industrial \& Engineering Chemistry Research}, volume = {64}, year = {2025}, month = {JAN}, pages = {3409-3425}, type = {Article}, abstract = {
Ultrasonic emulsification of oil and water was carried out to observe the effect of addition of a minimal amount of surfactant. The effect of ultrasound irradiation time, power, and physicochemical properties of oil on the dispersed phase volume and dispersed phase droplet size has been studied. The increase in the irradiation time increases the dispersed phase volume, while it decreases the dispersed phase droplets size. With an increase in the ultrasonic irradiation power, there is an increase in the fraction of volume of the dispersed phase, while the droplet size of the dispersed phase decreases over the same irradiation time. The fractional volume of the dispersed phase is higher for the case of the groundnut oil-water system, while it is low for the paraffin (heavy) oil-water system. The droplet size of soyabean oil dispersed in water is found to be small, while that of paraffin (heavy) oil is found to be large. These variations could be explained on the basis of varying physicochemical properties of the system, i.e., viscosity of oil and the interfacial tension. During the ultrasonic emulsification, a coalescence phenomenon which is relatively weak has also been observed, which can be attributed to the collision of small droplets when the droplet concentration increases (higher dispersed phase hold-up) and the acoustic streaming strength is higher.
}, issn = {0888-5885}, doi = {10.1021/acs.iecr.4c02452}, author = {Gaikwad, Shashank G. and Pandit, Aniruddha B.} } @article {49495, title = {Unlocking enhanced redox dynamics: the power of a bifunctional catalytic zinc phosphide interface in full cell and pouch lithium-sulfur batteries}, journal = {ACS Applied Materials \& Interfaces}, volume = {17}, year = {2025}, month = {JAN}, pages = {7657-7669}, type = {Article}, abstract = {
Lithium-sulfur (Li-S) batteries face significant challenges, such as polysulfide dissolution, sluggish reaction kinetics, and lithium anode corrosion, hindering their practical application. Herein, we report a highly effective approach using a zinc phosphide (ZnP2) bifunctional catalyst to address these issues. The ZnP2 catalyst effectively anchors lithium polysulfides (LiPSs), catalytically reactivates them, and enhances lithium-ion diffusion. Utilizing a ZnP2-modified separator in a Li-S half-cell achieves an impressive initial capacity of 1145.4 mAh g-1, retaining 954 mAh g-1 and 99.8\% Coulombic efficiency after 100 cycles, compared to the pristine separator. The underlying reaction mechanisms are thoroughly investigated through post-mortem analyses and density functional theory (DFT) calculations. Moreover, a Li-S full cell with an E/S ratio of 10 mu L mg-1 demonstrates stable cycling performance, achieving an initial capacity of 797.5 and 534 mAh g-1 after 100 cycles at 0.1C, with a negative-to-positive mass ratio of 3:1. Additionally, the real-world feasibility of lightweight and flexible Li-S pouch batteries with ZnP2-modified separators is explored, showing a stable performance over 100 cycles at 0.1C with 80\% capacity retention. This engineered separator can be integrated with advanced sulfur cathodes to create high-energy-density, stable Li-S batteries for commercial applications.
}, keywords = {catalytic interlayer, full cell, lithium dendrite, lithium sulfur battery, polysulfide shuttling, pouchcell}, issn = {1944-8244}, doi = {10.1021/acsami.4c17192}, author = {Das, Anoushka K. and Yadav, Poonam and Verma, Tushar S. and Marulasiddappa, Thripuranthaka and Krishnamurty, Sailaja and Shelke, Manjusha V.} } @article {49272, title = {Unlocking the potential of lactococcus lactis subsp. lactis BIONCL17752 strain on fumonisin B1 production by fusarium verticillioides}, journal = {Food Control}, volume = {168}, year = {2025}, month = {FEB}, pages = {110910}, type = {Article}, abstract = {
Mycotoxins are the potent toxic chemical agent{\textquoteright}s linked to food safety, pose a serious risk to human and animal health globally. The management of toxigenic fungi is a challenging task in food and feed industries. The present investigation aimed to use probiotic potentials of lactic acid bacteria (LAB), and fermented cell-free broth as antifungal agents and neutralization of carcinogenic mycotoxin, fumonisin B1 (FB1) in food and feed considered as {\textquoteleft}{\textquoteleft}turned waste into treasure{\textquoteright}{\textquoteright}. We strived to investigate the probiotic potential of Lactococcus lactis subsp. lactis BIONCL17752 strain on prevention of growth and neutralization of FB1 produced by Fusarium verticillioides BIONCL4 strain to emulate as as a food grade bio-preservative. The BIONCL17752 strain exhibited excellent inhibitory activity against BIONCL4 strain. It was cultivated in MRS medium, and obtained cells pellet (CP) and cell-free supernatant (CFS) was lyophilized, and used for their antifungal activity against BIONCL4 strain. The minimum fungicidal concentration (MFC) determined as 12.5 mu g/mL. Nevertheless, CFS assessed for neutralization of FB1 production which exhibited complete inhibition and downregulation of FB1 encoding FUM1 gene expression using quantitative real-time PCR (qPCR). Furthermore, CFS induced transcriptomic studies against BIONCL4 strain endorsed a significant downregulation of virulence, FB1, fusaric acid, fusarin, and chitin biosynthetic pathway genes. The CFS and cells reticent spore germination and FB1 production in the range of 40-61\% and 74-85\%, respectively under stored maize for 60 days. The current findings suggest BIONCL17752 strain apprehend the fungal growth and inhibit the FB1, and other toxigenic molecules biosynthesis, and can be employed as food grade preservative in the food industries to ensure the food safety and human health.
}, keywords = {Food grade preservative, Food safety, Fumonisin B-1, Fusarium verticillioides, lactis, Lactococcus lactis subsp., Maize}, issn = {0956-7135}, doi = {10.1016/j.foodcont.2024.110910}, author = {Navale, Vishwambar D. and Vamkudoth, Koteswara Rao} } @article {49599, title = {Unlocking thermodynamic enolate for kinetically controlled desymmetrizing vinylogous (4+1) carbospiroannulation}, journal = {Chemistry-A European Journal}, volume = {31}, year = {2025}, month = {MAY}, type = {Article}, abstract = {
An unprecedented thermodynamically unfavorable (4+1) deysmmetrizing spiroannulation through a thermodynamic enolate intermediate, enabling a single-step synthesis of ubiquitous scaffolds such as all-carbon chiral spirocycles, is disclosed. In this spiroannulation, we present a vinylogous organocatalytic enantioselective desymmetrizing (4+1) cycloaddition approach involving alkylidene malononitrile and cyclopent-1,3-dienone. This carbospiroannulation method produces functionally enriched spiro[4,4]nonane structures with three stereocenters, has presented good-to-high yields and enantiomeric ratios. Detailed DFT calculations reveal an intriguing reaction mechanism, which validates our observations.
}, keywords = {3-diones, alkylidene malononitrile, cyclopent-1, quaternary stereocenters, spiro compounds, thermodynamic enolate}, issn = {0947-6539}, doi = {10.1002/chem.202500671}, author = {Singh, Sanjay and Singh, Abhijeet and Pandya, Rinu and Vanka, Kumar and Singh, Ravi P.} } @article {49565, title = {Unravelling the Cu-Co nanoparticle synergy over Ceria-Zirconia support toward efficient reverse water gas shift (RWGS) conversion under H2 lean conditions}, journal = {Chemical Engineering Journal}, volume = {508}, year = {2025}, month = {MAR}, pages = {160705}, type = {Article}, abstract = {
CO2 emissions leading to global warming and environmental and socio-economic issues have propelled the research community to develop technologies capable of capturing and converting CO2 into valuable products. Controlling the selectivity toward platform molecules like CO, methanol, or methane is a fundamental challenge in CO2 hydrogenation. Supported cobalt nanoparticles are known for hydrocarbon production through FischerTropsch (FT) reaction, and Cu-based catalysts are known for reverse water gas shift (RWGS) reaction. Here, we show that d-band centre can be carefully modulated by making bimetallic combinations of Cu and Co for a highly active RWGS catalyst. An oxygen vacancy-rich nanostructured ceria-zirconia (CZ) support with Cu nanoparticles (2 wt\%) modified with as low as 0.05 wt\% Co shows excellent conversion for CO2 hydrogenation and selectivity for CO below 500 degrees C. The optimized catalyst shows CO2 conversion even under hydrogen lean conditions (H2/ CO2 ratio 0.5:1), with a breakthrough rate of 206023 mmol/gmetal/h for CO at 600 degrees C, having H2 utilization of 80\% for the RWGS process.
}, keywords = {Bimetallic catalyst, Ceria-zirconia, CO 2 hydrogenation, Cobalt catalyst, Copper catalyst, Reverse water gas shift (RWGS), synergistic effect}, issn = {1385-8947}, doi = {10.1016/j.cej.2025.160705}, author = {Jagtap, Anuradha Vijay and Bamnia, Mahesh Kumar and Maibam, Ashakiran and Bajpai, Jyotsna Paliwal and Gupta, Sharad and Thomas, Sharon K. and Dabke, Niteen B. and Vinod, C. P.} } @article {49503, title = {Upcycling solid wastes: using abundant egg shell wastes for the greener production of lactic acid under ambient conditions}, journal = {Journal of Environmental Chemical Engineering}, volume = {13}, year = {2025}, month = {APR}, pages = {115603}, type = {Article}, abstract = {
In this study, we explore a sustainable approach to repurposing eggshell waste as a catalyst for the conversion of biomass-derived sucrose, sugar syrup, xylan, and cellulose into lactic acid, a chemical in high demand. Currently, lactic acid is industrially produced using lactic acid bacteria (LAB), which require precise pH control and temperature maintenance, complicating their application. Our work demonstrates a one-pot synthesis of lactic acid using calcined eggshells in an aqueous medium via simple thermal treatment. Comprehensive characterization of the eggshell catalyst was carried out using techniques such as XRD, BET, FT-IR, FE-SEM, XPS, and TGA, revealing that calcination above 700 degrees C transformed the eggshell into CaO, drastically altering its morphology and enhancing its basicity. At 200 degrees C, using 70 wt\% of catalyst for 1 h, we achieved a remarkable 92 C-mol\% lactic acid yield with excellent carbon balance. The increased basicity played a key role in selectively driving lactic acid production. Our approach offers a green, sustainable solution with significant implications for future research in valorizing waste materials and advancing bio-based chemical production.
}, keywords = {Biomass, Lactic acid, Sustainability, Waste egg shell, Waste-to- chemicals}, issn = {2213-2929}, doi = {10.1016/j.jece.2025.115603}, author = {Sreekantan, Sreejith and Sudhakaran, Amitha Kalappurakkal and Marimuthu, Banu} } @article {49628, title = {Upgradation of biomass-derived furfural by nanostructured layered double hydroxides: Influence of stirring rate on structural features of materials}, journal = {Inorganic Chemistry Communications}, volume = {172}, year = {2025}, month = {FEB}, pages = {113756}, type = {Article}, abstract = {
The proficient conversion of biomass-derived compounds into the high-quality platform chemicals and bio-fuels is enormously imperative to decrease dependence on fossil feedstock. Furfural is a significant bio-based chemical which can be efficiently converted to valuable 4-(2-furyl)-3-buten-2-one (FAc) via aldol condensation. In this work, we have developed prominent layered double hydroxides (LDHs) catalysts for mild aldol condensation of furfural and acetone to acquired high performance with admirable FAc selectivity. Various nanostructured Mg-Al LDHs were synthesized through co-precipitation procedure under different stirring rate conditions. The structural, morphological and optical attributes of materials as well as recyclability aspect and structure-activity relationship was examined by characterizing the fresh and spent catalysts via numerous techniques (XRD, N2 sorption, DLS, CO2-TPD, NH3-TPD, FT-IR, UV-Visible spectroscopy, TGA, SEM, TEM, ICP-OES, 27Al NMR spectroscopy, XPS, Raman spectroscopy, etc). Several reaction parameters were also optimized. Among the catalysts tested, LDH-1200 catalyst exhibits outstanding performance by delivering 100\% furfural conversion with 99\% FAc selectivity. Moreover, catalyst illustrates excellent recyclability and stability. The mechanistic insight for aldol condensation was also investigated by monitoring the intermediates at different stages and intervals during the course of the reaction. This study confirms that stirring rate has significant influence on physico-chemical attributes of materials and the amount of weak basic sites plays imperative role in catalytic performance.
}, keywords = {Aldol condensation, Biomass-derived compounds, Flower-shaped nanocrystals, heterogeneous catalysis, Nanostructured mesoporous LDH}, issn = {1387-7003}, doi = {10.1016/j.inoche.2024.113756}, author = {Bhagat, Shailesh K. and Nagpure, Atul S. and Lanjewar, Mamata R. and Gode, Nilesh G. and Deshmukh, Ganpat D. and Saini, Ajay} } @article {49460, title = {Valorization of avocado peel waste: extraction and characterization of cellulose nanofibers for multifunctional applications}, journal = { Biomass Conversion and Biorefinery}, volume = {15}, year = {2025}, month = {APR}, pages = {12789-12800}, type = {Article}, abstract = {
This study explored the utility of underutilized avocado peels for extracting cellulose nanofibers (CNFs). Mild oxalic acid hydrolysis assisted by steam explosion was employed after alkali hydrolysis and chlorine-free bleaching to prepare cellulose nanofibers. The structural, atomic, and elemental features of the extracted fibers were studied using Fourier transform infrared spectroscopy (FTIR),\ 13C solid-state nuclear magnetic resonance (13C NMR) spectroscopy, and energy dispersive X-ray (EDAX) analysis, respectively. The crystallinity index of the nanofibers was 87\%, which was 53\% greater than that of the crude sample. The elution of hemicellulose and lignin was evident from the scanning electron microscopy (SEM) images, and the nanofibers had a fiber diameter of 30{\textendash}82\ nm according to the transmission electron microscopy (TEM) analysis. The applied chemical treatment also elevated the thermal stability of the fibers. The extracted fibers can be applied in numerous fields, including electronics, packaging, automobiles, biomedicine, and cosmetics.
}, doi = {https://doi.org/10.1007/s13399-024-06065-4}, author = {Varsha, P. V. and Neenu, K. V. and Begum, P. M. Sabura and Hounfodji, Jean Wilfried and Sankar, Sameera and Muraleedharan, Sneha and Kamath, Anjali N. and Ajithkumar, T. G. and Parameswaranpillai, Jyotishkumar and Midhun, Dominic C. D.} } @article {49556, title = {Vat-based 3D-bioprinted scaffolds from photocurable bacterial levan for osteogenesis and immunomodulation}, journal = {Biomacromolecules}, volume = {26}, year = {2025}, month = {JAN}, pages = {954-966}, type = {Article}, abstract = {
Emerging techniques of additive manufacturing, such as vat-based three-dimensional (3D) bioprinting, offer novel routes to prepare personalized scaffolds of complex geometries. However, there is a need to develop bioinks suitable for clinical translation. This study explored the potential of bacterial-sourced methacrylate levan (LeMA) as a bioink for the digital light processing (DLP) 3D bioprinting of bone tissue scaffolds. LeMA was successfully synthesized, characterized, and used to fabricate 3D-bioprinted scaffolds with excellent printability and physicochemical properties. In vitro studies demonstrated superior cytocompatibility of 15\% w/v LeMA gels compared to 20\% gels. 15\% LeMA gels supported osteogenic differentiation , as evidenced by alkaline phosphatase activity and mineral deposition by MC3T3 pre-osteoblasts. Importantly, the LeMA hydrogels positively modulated the macrophage phenotype, promoting the expression of the anti-inflammatory marker CD206. These findings suggest that 3D-printed LeMA scaffolds can create a favorable microenvironment for bone regeneration, highlighting their potential for tissue repair and regeneration applications.
}, issn = {1525-7797}, doi = {10.1021/acs.biomac.4c01264}, author = {Waidi, Yusuf Olatunji and Wagh, Vasudev S. and Mishra, Shivangi and Jhunjhunwala, Siddharth and Dastager, Syed G. and Chatterjee, Kaushik} } @article {49543, title = {Visible light-responsive composition-dependent morphology and cargo release in mixed micelles of dendron amphiphiles}, journal = {Langmuir}, volume = {41}, year = {2025}, month = {JAN}, pages = {1957-1967}, type = {Article}, abstract = {
2,2-Bis-(methylol)propionic acid-based second-generation polyester dendron amphiphile (T-D) containing visible light-responsive donor-acceptor Stenhouse adduct (DASA) as hydrophobic tails is synthesized. Micelles of T-D amphiphile and its mixed micelles of varying compositions with nonresponsive dendron amphiphile containing lauryl groups are prepared in aqueous solution. In transmission electron microscopy and atomic force microscopy analyses, T-D amphiphiles show rice grain-like ellipsoidal micelles as the predominant morphology. Mixed micelles display a composition-dependent morphology gradient such that the morphology changes from rice grain like to mixed to completely spherical with decreasing content of the T-D amphiphile. Complete morphology change to spherical micelles and partial reversal to ellipsoidal micelles, finally leading to ill-defined aggregates, are observed when the T-D amphiphile micelles are subjected to visible light-dark storage photoswitching cycles. Small-angle neutron scattering (SANS) analysis of 1 wt.\% micellar solution in THF:water (10:90) reveals only a minor change in shape and size upon photoirradiation, and the data could be fitted to spherical or ellipsoidal model. Release of hydrophobic dye from mixed micelles is tuned by the content of the photoresponsive amphiphile. Cellular uptake and visible light-triggered release of hydrophobic drug from mixed micelles are demonstrated using MDA-MB-231 cells, suggesting their applicability for photoresponsive drug delivery.
}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.4c04509}, author = {Avhad, Shankarrao V. and Kumar, Sugam and Ambade, Ashootosh V.} }